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 3hrq_1_B DATA FIRST_RESID 1305 DATA SEQUENCE EIKTTTTLHR VVEETTKPLG ATLVVETDIS RKDVNGLARG HLVDGIPLCT DATA SEQUENCE PSFYADIAMQ VGQYSMQRLR AGXXXXXXXX GLVDVSDMVV DKALVPHGKG DATA SEQUENCE PQLLRTTLTM EWPPKAAATT RSAKVKFATY FADXXLDTEH ASCTVRFTSD DATA SEQUENCE AQLKSLRRSV SEYKTHIRQL HDGHAKGQFM RYNRKTGYKL MSSMARFNPD DATA SEQUENCE YMLLDYLVLN EAENEAASGV DFSLGSSEGT FAAHPAHVDA ITQVAGFAMN DATA SEQUENCE ANDNVDIEKQ VYVNHGWDSF QIYQPLDNSK SYQVYTKMGQ XXXNDLVHGD DATA SEQUENCE VVVLDGEQIV AFFRGLTLRS VPRGALRVVL QT 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 1305 E HA 0.000 nan 4.350 nan 0.000 0.291 1305 E C 0.000 176.503 176.600 -0.162 0.000 1.382 1305 E CA 0.000 56.443 56.400 0.072 0.000 0.976 1305 E CB 0.000 29.759 29.700 0.098 0.000 0.812 1306 I N 2.675 122.975 120.570 -0.450 0.000 7.063 1306 I HA -0.183 3.987 4.170 0.000 0.000 0.126 1306 I C -0.982 174.961 176.117 -0.290 0.000 1.739 1306 I CA 0.476 61.343 61.300 -0.723 0.000 2.259 1306 I CB -0.503 36.863 38.000 -1.056 0.000 3.408 1306 I HN 0.272 nan 8.210 nan 0.000 0.232 1307 K N 3.319 123.627 120.400 -0.153 0.000 2.511 1307 K HA 0.012 4.332 4.320 0.000 0.000 0.277 1307 K C 0.941 177.486 176.600 -0.093 0.000 1.025 1307 K CA 1.022 57.254 56.287 -0.091 0.000 1.112 1307 K CB -0.289 32.179 32.500 -0.054 0.000 0.859 1307 K HN 0.703 nan 8.250 nan 0.000 0.485 1308 T N 0.028 114.538 114.554 -0.073 0.000 2.913 1308 T HA 0.372 4.722 4.350 0.000 0.000 0.297 1308 T C 0.708 175.373 174.700 -0.057 0.000 1.029 1308 T CA -0.681 61.390 62.100 -0.048 0.000 1.104 1308 T CB 1.119 69.973 68.868 -0.023 0.000 0.964 1308 T HN 0.642 nan 8.240 nan 0.000 0.532 1309 T N -1.879 112.647 114.554 -0.046 0.000 2.654 1309 T HA 0.405 4.755 4.350 0.000 0.000 0.289 1309 T C 1.270 175.918 174.700 -0.087 0.000 1.062 1309 T CA -0.531 61.496 62.100 -0.122 0.000 1.041 1309 T CB 0.688 69.449 68.868 -0.179 0.000 1.417 1309 T HN 0.391 nan 8.240 nan 0.000 0.510 1310 T N 1.493 115.883 114.554 -0.274 0.000 2.833 1310 T HA -0.023 4.327 4.350 0.000 0.000 0.269 1310 T C 1.754 176.476 174.700 0.037 0.000 1.054 1310 T CA 2.065 64.061 62.100 -0.173 0.000 1.135 1310 T CB -0.706 67.856 68.868 -0.511 0.000 0.869 1310 T HN 0.929 nan 8.240 nan 0.000 0.466 1311 T N -1.171 113.317 114.554 -0.110 0.000 3.054 1311 T HA 0.460 4.810 4.350 0.000 0.000 0.255 1311 T C 0.190 174.760 174.700 -0.216 0.000 1.035 1311 T CA -0.312 61.673 62.100 -0.192 0.000 0.941 1311 T CB 0.068 68.715 68.868 -0.370 0.000 1.026 1311 T HN 0.238 nan 8.240 nan 0.000 0.533 1312 L N 1.647 122.799 121.223 -0.119 0.000 2.457 1312 L HA 0.463 4.803 4.340 0.000 0.000 0.266 1312 L C 0.222 177.136 176.870 0.074 0.000 0.979 1312 L CA -0.737 54.055 54.840 -0.080 0.000 0.857 1312 L CB 1.306 43.334 42.059 -0.051 0.000 1.213 1312 L HN 0.024 nan 8.230 nan 0.000 0.418 1313 H N 3.825 122.888 119.070 -0.011 0.000 2.399 1313 H HA 0.204 4.760 4.556 0.000 0.000 0.300 1313 H C 0.288 175.600 175.328 -0.026 0.000 1.048 1313 H CA 0.585 56.623 56.048 -0.017 0.000 1.370 1313 H CB 0.264 30.029 29.762 0.005 0.000 1.428 1313 H HN 0.564 nan 8.280 nan 0.000 0.534 1314 R N -0.829 119.731 120.500 0.100 0.000 2.692 1314 R HA 0.468 4.808 4.340 0.000 0.000 0.269 1314 R C -1.846 174.454 176.300 0.000 0.000 1.030 1314 R CA -0.731 55.390 56.100 0.035 0.000 0.882 1314 R CB 1.250 31.575 30.300 0.041 0.000 1.250 1314 R HN -0.171 nan 8.270 nan 0.000 0.465 1315 V N 2.798 122.700 119.914 -0.020 0.000 2.432 1315 V HA 0.120 4.240 4.120 0.000 0.000 0.271 1315 V C 1.018 177.100 176.094 -0.019 0.000 1.046 1315 V CA -0.366 61.916 62.300 -0.030 0.000 0.945 1315 V CB 1.350 33.149 31.823 -0.041 0.000 0.992 1315 V HN 0.713 nan 8.190 nan 0.000 0.471 1316 V N 3.363 123.262 119.914 -0.024 0.000 2.599 1316 V HA 0.160 4.280 4.120 0.000 0.000 0.245 1316 V C 0.734 176.810 176.094 -0.030 0.000 1.046 1316 V CA 1.055 63.336 62.300 -0.032 0.000 1.065 1316 V CB -0.011 31.778 31.823 -0.057 0.000 0.703 1316 V HN 0.957 nan 8.190 nan 0.000 0.464 1317 E N -0.114 120.072 120.200 -0.025 0.000 2.375 1317 E HA 0.407 4.757 4.350 0.000 0.000 0.280 1317 E C -1.452 175.151 176.600 0.006 0.000 0.972 1317 E CA -0.466 55.926 56.400 -0.014 0.000 0.782 1317 E CB 2.272 31.956 29.700 -0.028 0.000 1.229 1317 E HN 0.283 nan 8.360 nan 0.000 0.439 1318 E N 2.710 122.923 120.200 0.021 0.000 2.448 1318 E HA 0.220 4.570 4.350 0.000 0.000 0.288 1318 E C -1.860 174.769 176.600 0.048 0.000 0.936 1318 E CA -0.400 56.030 56.400 0.050 0.000 0.809 1318 E CB 1.181 30.926 29.700 0.075 0.000 1.408 1318 E HN 0.457 nan 8.360 nan 0.000 0.393 1319 T N 0.907 115.486 114.554 0.042 0.000 2.815 1319 T HA 0.482 4.832 4.350 0.000 0.000 0.289 1319 T C -0.125 174.604 174.700 0.049 0.000 1.000 1319 T CA -0.594 61.527 62.100 0.035 0.000 0.958 1319 T CB 1.501 70.376 68.868 0.011 0.000 0.944 1319 T HN 0.138 nan 8.240 nan 0.000 0.442 1320 T N 4.338 118.935 114.554 0.071 0.000 2.875 1320 T HA 0.651 5.001 4.350 0.000 0.000 0.284 1320 T C 0.059 174.810 174.700 0.085 0.000 0.995 1320 T CA -0.820 61.348 62.100 0.113 0.000 1.060 1320 T CB 1.157 70.113 68.868 0.146 0.000 0.967 1320 T HN 0.935 nan 8.240 nan 0.000 0.476 1321 K N 2.375 122.826 120.400 0.085 0.000 2.250 1321 K HA 0.584 4.904 4.320 0.000 0.000 0.261 1321 K C -2.221 174.434 176.600 0.092 0.000 1.047 1321 K CA -1.588 54.726 56.287 0.045 0.000 0.884 1321 K CB 0.507 32.988 32.500 -0.030 0.000 1.476 1321 K HN 0.116 nan 8.250 nan 0.000 0.445 1322 P HA -0.077 nan 4.420 nan 0.000 0.215 1322 P C 0.855 178.180 177.300 0.042 0.000 1.157 1322 P CA 1.204 64.363 63.100 0.099 0.000 0.863 1322 P CB 0.158 31.887 31.700 0.048 0.000 0.787 1323 L N -0.889 120.230 121.223 -0.174 0.000 2.912 1323 L HA 0.485 4.825 4.340 0.000 0.000 0.240 1323 L C 1.082 177.435 176.870 -0.861 0.000 1.262 1323 L CA -0.169 54.433 54.840 -0.396 0.000 1.058 1323 L CB -0.181 41.748 42.059 -0.217 0.000 1.383 1323 L HN 0.187 nan 8.230 nan 0.000 0.512 1324 G N -0.201 107.797 108.800 -1.337 0.000 2.332 1324 G HA2 0.470 4.430 3.960 0.000 0.000 0.265 1324 G HA3 0.470 4.430 3.960 0.000 0.000 0.265 1324 G C -1.905 172.475 174.900 -0.866 0.000 1.329 1324 G CA -0.062 44.007 45.100 -1.719 0.000 0.949 1324 G HN 0.299 nan 8.290 nan 0.000 0.476 1325 A N -2.075 120.477 122.820 -0.446 0.000 2.586 1325 A HA 0.927 5.247 4.320 0.000 0.000 0.291 1325 A C -0.705 176.862 177.584 -0.030 0.000 1.062 1325 A CA 0.530 52.526 52.037 -0.068 0.000 0.666 1325 A CB 1.324 20.447 19.000 0.205 0.000 1.281 1325 A HN 1.705 nan 8.150 nan 0.000 0.421 1326 T N 0.702 115.265 114.554 0.015 0.000 2.916 1326 T HA 0.620 4.970 4.350 0.000 0.000 0.298 1326 T C -1.595 173.132 174.700 0.044 0.000 1.031 1326 T CA -0.267 61.840 62.100 0.012 0.000 0.993 1326 T CB 1.366 70.224 68.868 -0.018 0.000 1.045 1326 T HN 1.339 nan 8.240 nan 0.000 0.454 1327 L N 3.846 125.097 121.223 0.046 0.000 2.441 1327 L HA 0.777 5.117 4.340 0.000 0.000 0.270 1327 L C -1.572 175.306 176.870 0.014 0.000 0.973 1327 L CA -0.551 54.326 54.840 0.060 0.000 0.842 1327 L CB 1.559 43.696 42.059 0.129 0.000 1.239 1327 L HN 0.479 nan 8.230 nan 0.000 0.406 1328 V N 5.818 125.728 119.914 -0.006 0.000 2.409 1328 V HA 0.718 4.838 4.120 0.000 0.000 0.291 1328 V C -0.107 175.969 176.094 -0.030 0.000 1.020 1328 V CA -0.464 61.816 62.300 -0.034 0.000 0.848 1328 V CB 1.684 33.472 31.823 -0.059 0.000 0.990 1328 V HN 0.662 nan 8.190 nan 0.000 0.430 1329 V N 1.744 121.642 119.914 -0.026 0.000 3.019 1329 V HA 0.823 4.943 4.120 0.000 0.000 0.317 1329 V C -0.619 175.473 176.094 -0.003 0.000 1.094 1329 V CA -0.692 61.597 62.300 -0.018 0.000 1.000 1329 V CB 2.162 33.974 31.823 -0.019 0.000 1.060 1329 V HN 0.896 nan 8.190 nan 0.000 0.443 1330 E N 0.025 120.229 120.200 0.006 0.000 2.317 1330 E HA 0.711 5.061 4.350 0.000 0.000 0.270 1330 E C -1.485 175.110 176.600 -0.008 0.000 0.885 1330 E CA -0.638 55.775 56.400 0.022 0.000 0.760 1330 E CB 2.532 32.250 29.700 0.031 0.000 1.227 1330 E HN 0.924 nan 8.360 nan 0.000 0.434 1331 T N 2.624 117.159 114.554 -0.032 0.000 2.949 1331 T HA 0.123 4.473 4.350 0.000 0.000 0.300 1331 T C -1.381 173.287 174.700 -0.054 0.000 0.988 1331 T CA -0.764 61.184 62.100 -0.252 0.000 0.993 1331 T CB 1.074 69.811 68.868 -0.219 0.000 0.984 1331 T HN 0.353 nan 8.240 nan 0.000 0.442 1332 D N 3.450 123.935 120.400 0.141 0.000 2.422 1332 D HA 0.119 4.759 4.640 0.000 0.000 0.227 1332 D C 1.507 177.901 176.300 0.157 0.000 1.190 1332 D CA -0.946 53.164 54.000 0.183 0.000 0.905 1332 D CB 0.383 41.328 40.800 0.242 0.000 1.034 1332 D HN 0.678 nan 8.370 nan 0.000 0.507 1333 I N 0.480 121.067 120.570 0.028 0.000 3.241 1333 I HA -0.052 4.118 4.170 0.000 0.000 0.280 1333 I C 0.866 176.961 176.117 -0.035 0.000 1.320 1333 I CA 0.250 61.534 61.300 -0.027 0.000 1.413 1333 I CB 0.009 37.878 38.000 -0.219 0.000 1.060 1333 I HN 0.013 nan 8.210 nan 0.000 0.500 1334 S N 0.369 116.071 115.700 0.002 0.000 2.503 1334 S HA 0.153 4.623 4.470 0.000 0.000 0.217 1334 S C 0.993 175.619 174.600 0.045 0.000 0.999 1334 S CA -0.294 57.907 58.200 0.002 0.000 0.914 1334 S CB -0.184 63.027 63.200 0.019 0.000 0.782 1334 S HN 0.436 nan 8.310 nan 0.000 0.520 1335 R N 2.277 122.829 120.500 0.086 0.000 2.538 1335 R HA 0.014 4.354 4.340 0.000 0.000 0.282 1335 R C 0.905 177.239 176.300 0.056 0.000 1.009 1335 R CA 0.366 56.503 56.100 0.062 0.000 1.063 1335 R CB 0.310 30.637 30.300 0.046 0.000 0.945 1335 R HN 0.187 nan 8.270 nan 0.000 0.414 1336 K N 1.859 122.278 120.400 0.031 0.000 2.218 1336 K HA -0.201 4.119 4.320 0.000 0.000 0.205 1336 K C 1.165 177.794 176.600 0.048 0.000 1.046 1336 K CA 1.839 58.147 56.287 0.034 0.000 0.933 1336 K CB 0.018 32.531 32.500 0.022 0.000 0.728 1336 K HN 0.689 nan 8.250 nan 0.000 0.454 1337 D N -0.112 120.315 120.400 0.044 0.000 2.323 1337 D HA -0.087 4.553 4.640 0.000 0.000 0.209 1337 D C 1.524 177.894 176.300 0.117 0.000 0.973 1337 D CA 0.587 54.623 54.000 0.060 0.000 0.874 1337 D CB 0.195 41.004 40.800 0.015 0.000 0.930 1337 D HN 0.071 nan 8.370 nan 0.000 0.521 1338 V N -0.252 119.750 119.914 0.147 0.000 3.485 1338 V HA 0.086 4.206 4.120 0.000 0.000 0.280 1338 V C 1.663 177.854 176.094 0.161 0.000 1.495 1338 V CA 0.278 62.706 62.300 0.213 0.000 1.018 1338 V CB -0.146 31.862 31.823 0.309 0.000 0.818 1338 V HN -0.034 nan 8.190 nan 0.000 0.436 1339 N N 1.474 120.230 118.700 0.093 0.000 2.043 1339 N HA -0.097 4.643 4.740 0.000 0.000 0.193 1339 N C 1.848 177.363 175.510 0.008 0.000 1.037 1339 N CA 2.339 55.402 53.050 0.022 0.000 0.851 1339 N CB -0.532 37.962 38.487 0.012 0.000 1.027 1339 N HN 0.463 nan 8.380 nan 0.000 0.422 1340 G N 0.247 109.075 108.800 0.047 0.000 2.442 1340 G HA2 -0.223 3.737 3.960 0.000 0.000 0.219 1340 G HA3 -0.223 3.737 3.960 0.000 0.000 0.219 1340 G C 1.451 176.400 174.900 0.080 0.000 1.141 1340 G CA 0.901 46.031 45.100 0.050 0.000 0.763 1340 G HN 0.357 nan 8.290 nan 0.000 0.554 1341 L N 1.176 122.489 121.223 0.149 0.000 2.093 1341 L HA 0.231 4.571 4.340 0.000 0.000 0.208 1341 L C 2.940 179.921 176.870 0.184 0.000 1.085 1341 L CA 1.870 56.860 54.840 0.250 0.000 0.755 1341 L CB -0.435 41.782 42.059 0.264 0.000 0.904 1341 L HN 0.212 nan 8.230 nan 0.000 0.435 1342 A N -0.699 122.120 122.820 -0.001 0.000 2.168 1342 A HA -0.053 4.267 4.320 0.000 0.000 0.215 1342 A C 1.467 178.825 177.584 -0.377 0.000 1.152 1342 A CA 0.543 52.340 52.037 -0.400 0.000 0.716 1342 A CB -0.504 18.142 19.000 -0.590 0.000 0.794 1342 A HN 0.441 nan 8.150 nan 0.000 0.465 1343 R N -0.069 120.284 120.500 -0.245 0.000 3.436 1343 R HA 0.280 4.620 4.340 0.000 0.000 0.247 1343 R C 1.391 177.456 176.300 -0.390 0.000 1.434 1343 R CA 0.230 56.166 56.100 -0.274 0.000 1.543 1343 R CB 0.280 30.477 30.300 -0.172 0.000 1.289 1343 R HN 0.340 nan 8.270 nan 0.000 0.664 1344 G N 0.139 108.559 108.800 -0.632 0.000 2.394 1344 G HA2 -0.124 3.836 3.960 0.000 0.000 0.214 1344 G HA3 -0.124 3.836 3.960 0.000 0.000 0.214 1344 G C 0.356 174.851 174.900 -0.675 0.000 1.176 1344 G CA 0.377 44.732 45.100 -1.241 0.000 0.786 1344 G HN 0.444 nan 8.290 nan 0.000 0.533 1345 H N -1.816 116.942 119.070 -0.519 0.000 2.670 1345 H HA 0.631 5.187 4.556 0.000 0.000 0.361 1345 H C -1.534 173.570 175.328 -0.375 0.000 1.169 1345 H CA -1.058 54.677 56.048 -0.522 0.000 1.198 1345 H CB 2.761 32.231 29.762 -0.487 0.000 1.700 1345 H HN 0.111 nan 8.280 nan 0.000 0.542 1346 L N 2.393 123.480 121.223 -0.227 0.000 2.404 1346 L HA 0.360 4.700 4.340 0.000 0.000 0.272 1346 L C -1.556 175.221 176.870 -0.155 0.000 0.980 1346 L CA -0.530 54.214 54.840 -0.160 0.000 0.836 1346 L CB 1.486 43.468 42.059 -0.128 0.000 1.238 1346 L HN 0.388 nan 8.230 nan 0.000 0.408 1347 V N 4.522 124.369 119.914 -0.112 0.000 2.407 1347 V HA 0.410 4.530 4.120 0.000 0.000 0.291 1347 V C -0.477 175.579 176.094 -0.062 0.000 1.018 1347 V CA -0.689 61.557 62.300 -0.091 0.000 0.842 1347 V CB 1.424 33.199 31.823 -0.080 0.000 0.996 1347 V HN 0.823 nan 8.190 nan 0.000 0.426 1348 D N 4.388 124.757 120.400 -0.051 0.000 2.708 1348 D HA -0.203 4.437 4.640 0.000 0.000 0.236 1348 D C 1.345 177.625 176.300 -0.034 0.000 1.146 1348 D CA 1.562 55.541 54.000 -0.036 0.000 0.662 1348 D CB -0.967 39.814 40.800 -0.032 0.000 1.059 1348 D HN 1.406 nan 8.370 nan 0.000 0.428 1349 G N -0.728 108.049 108.800 -0.039 0.000 2.184 1349 G HA2 -0.344 3.616 3.960 0.000 0.000 0.264 1349 G HA3 -0.344 3.616 3.960 0.000 0.000 0.264 1349 G C 0.425 175.300 174.900 -0.041 0.000 0.975 1349 G CA 0.420 45.499 45.100 -0.035 0.000 0.642 1349 G HN 0.556 nan 8.290 nan 0.000 0.536 1350 I N 3.251 123.792 120.570 -0.049 0.000 2.315 1350 I HA 0.309 4.479 4.170 0.000 0.000 0.291 1350 I C -1.719 174.351 176.117 -0.077 0.000 1.006 1350 I CA -2.410 58.859 61.300 -0.052 0.000 1.265 1350 I CB 1.658 39.632 38.000 -0.043 0.000 1.387 1350 I HN -0.084 nan 8.210 nan 0.000 0.475 1351 P HA 0.270 nan 4.420 nan 0.000 0.275 1351 P C -1.111 176.097 177.300 -0.153 0.000 1.227 1351 P CA -0.073 62.950 63.100 -0.127 0.000 0.781 1351 P CB 1.267 32.893 31.700 -0.123 0.000 0.906 1352 L N 2.176 123.279 121.223 -0.199 0.000 2.401 1352 L HA 0.412 4.752 4.340 0.000 0.000 0.266 1352 L C 0.179 176.846 176.870 -0.339 0.000 0.991 1352 L CA -1.012 53.693 54.840 -0.224 0.000 0.818 1352 L CB 2.380 44.343 42.059 -0.161 0.000 1.321 1352 L HN 0.417 nan 8.230 nan 0.000 0.413 1353 C N 2.106 121.181 119.300 -0.375 0.000 2.435 1353 C HA 0.568 5.028 4.460 0.000 0.000 0.375 1353 C C 1.004 175.721 174.990 -0.454 0.000 1.281 1353 C CA -0.331 58.382 59.018 -0.509 0.000 1.963 1353 C CB 0.333 27.681 27.740 -0.654 0.000 2.490 1353 C HN 0.859 nan 8.230 nan 0.000 0.557 1354 T N 4.158 118.449 114.554 -0.438 0.000 2.899 1354 T HA 0.355 4.705 4.350 0.000 0.000 0.284 1354 T C -1.832 172.709 174.700 -0.266 0.000 1.004 1354 T CA -1.305 60.597 62.100 -0.330 0.000 1.043 1354 T CB 1.158 69.855 68.868 -0.285 0.000 1.013 1354 T HN 0.499 nan 8.240 nan 0.000 0.518 1355 P HA -0.145 nan 4.420 nan 0.000 0.217 1355 P C 1.874 179.258 177.300 0.140 0.000 1.148 1355 P CA 1.342 64.480 63.100 0.063 0.000 0.828 1355 P CB -0.136 31.666 31.700 0.170 0.000 0.783 1356 S N -1.896 113.896 115.700 0.154 0.000 2.442 1356 S HA -0.194 4.276 4.470 0.000 0.000 0.236 1356 S C 1.838 176.457 174.600 0.032 0.000 1.007 1356 S CA 0.695 58.984 58.200 0.148 0.000 0.965 1356 S CB -1.702 61.547 63.200 0.082 0.000 0.773 1356 S HN 0.057 nan 8.310 nan 0.000 0.504 1357 F N 1.757 121.558 119.950 -0.248 0.000 2.113 1357 F HA -0.020 4.507 4.527 0.000 0.000 0.297 1357 F C 2.027 177.658 175.800 -0.281 0.000 1.103 1357 F CA 1.252 59.059 58.000 -0.322 0.000 1.248 1357 F CB -0.356 38.334 39.000 -0.517 0.000 0.999 1357 F HN 0.111 nan 8.300 nan 0.000 0.475 1358 Y N 0.071 120.337 120.300 -0.057 0.000 2.200 1358 Y HA -0.071 4.479 4.550 0.000 0.000 0.290 1358 Y C 2.578 178.381 175.900 -0.161 0.000 1.137 1358 Y CA 0.686 58.498 58.100 -0.480 0.000 1.163 1358 Y CB -1.676 36.049 38.460 -1.225 0.000 0.988 1358 Y HN 0.111 nan 8.280 nan 0.000 0.518 1359 A N 0.153 123.081 122.820 0.180 0.000 1.940 1359 A HA -0.266 4.054 4.320 0.000 0.000 0.219 1359 A C 2.000 179.724 177.584 0.233 0.000 1.176 1359 A CA 2.105 54.349 52.037 0.343 0.000 0.631 1359 A CB -0.918 18.407 19.000 0.541 0.000 0.814 1359 A HN 0.459 nan 8.150 nan 0.000 0.446 1360 D N 0.090 120.541 120.400 0.084 0.000 2.097 1360 D HA -0.135 4.505 4.640 0.000 0.000 0.195 1360 D C 1.711 178.041 176.300 0.050 0.000 0.989 1360 D CA 1.605 55.613 54.000 0.014 0.000 0.827 1360 D CB -0.306 40.402 40.800 -0.153 0.000 0.966 1360 D HN 0.484 nan 8.370 nan 0.000 0.456 1361 I N 0.485 121.087 120.570 0.053 0.000 2.286 1361 I HA -0.225 3.945 4.170 0.000 0.000 0.248 1361 I C 2.529 178.787 176.117 0.235 0.000 1.115 1361 I CA 1.020 62.404 61.300 0.140 0.000 1.392 1361 I CB -0.378 37.773 38.000 0.251 0.000 1.065 1361 I HN 0.042 nan 8.210 nan 0.000 0.418 1362 A N 0.791 123.821 122.820 0.349 0.000 1.902 1362 A HA -0.202 4.118 4.320 0.000 0.000 0.217 1362 A C 2.380 180.103 177.584 0.231 0.000 1.181 1362 A CA 1.443 53.685 52.037 0.341 0.000 0.623 1362 A CB -0.438 18.831 19.000 0.449 0.000 0.818 1362 A HN 0.268 nan 8.150 nan 0.000 0.443 1363 M N -0.521 119.195 119.600 0.194 0.000 2.159 1363 M HA -0.186 4.294 4.480 0.000 0.000 0.263 1363 M C 2.283 178.661 176.300 0.130 0.000 1.063 1363 M CA 1.540 56.924 55.300 0.139 0.000 1.110 1363 M CB -1.335 31.318 32.600 0.088 0.000 1.374 1363 M HN 0.556 nan 8.290 nan 0.000 0.411 1364 Q N -0.185 119.686 119.800 0.117 0.000 2.016 1364 Q HA -0.130 4.210 4.340 0.000 0.000 0.200 1364 Q C 2.088 178.170 176.000 0.136 0.000 0.978 1364 Q CA 1.979 57.840 55.803 0.097 0.000 0.833 1364 Q CB -0.341 28.428 28.738 0.052 0.000 0.895 1364 Q HN 0.580 nan 8.270 nan 0.000 0.427 1365 V N -2.392 117.610 119.914 0.148 0.000 2.667 1365 V HA -0.006 4.114 4.120 0.000 0.000 0.252 1365 V C 1.911 178.154 176.094 0.249 0.000 1.065 1365 V CA 1.811 64.224 62.300 0.188 0.000 1.083 1365 V CB -1.249 30.655 31.823 0.136 0.000 0.692 1365 V HN 0.332 nan 8.190 nan 0.000 0.468 1366 G N -0.398 108.545 108.800 0.238 0.000 2.404 1366 G HA2 -0.173 3.787 3.960 0.000 0.000 0.214 1366 G HA3 -0.173 3.787 3.960 0.000 0.000 0.214 1366 G C 1.507 176.561 174.900 0.256 0.000 1.189 1366 G CA 0.832 46.127 45.100 0.325 0.000 0.789 1366 G HN 0.543 nan 8.290 nan 0.000 0.533 1367 Q N -0.891 119.012 119.800 0.172 0.000 2.096 1367 Q HA -0.184 4.156 4.340 0.000 0.000 0.204 1367 Q C 2.229 178.254 176.000 0.041 0.000 0.982 1367 Q CA 1.568 57.414 55.803 0.072 0.000 0.850 1367 Q CB -0.341 28.441 28.738 0.074 0.000 0.901 1367 Q HN 0.620 nan 8.270 nan 0.000 0.422 1368 Y N 1.143 121.440 120.300 -0.006 0.000 2.114 1368 Y HA -0.242 4.308 4.550 0.000 0.000 0.284 1368 Y C 2.385 178.259 175.900 -0.044 0.000 1.143 1368 Y CA 1.781 59.869 58.100 -0.019 0.000 1.135 1368 Y CB -0.429 38.036 38.460 0.008 0.000 0.980 1368 Y HN -0.042 nan 8.280 nan 0.000 0.499 1369 S N 0.746 116.367 115.700 -0.132 0.000 2.370 1369 S HA -0.280 4.190 4.470 0.000 0.000 0.226 1369 S C 2.129 176.512 174.600 -0.361 0.000 1.033 1369 S CA 1.670 59.738 58.200 -0.220 0.000 1.011 1369 S CB -0.579 62.683 63.200 0.104 0.000 0.852 1369 S HN 0.652 nan 8.310 nan 0.000 0.457 1370 M N 1.475 120.755 119.600 -0.533 0.000 2.059 1370 M HA -0.205 4.275 4.480 0.000 0.000 0.259 1370 M C 2.079 178.079 176.300 -0.499 0.000 1.072 1370 M CA 1.652 56.411 55.300 -0.900 0.000 1.117 1370 M CB -0.338 31.539 32.600 -1.205 0.000 1.320 1370 M HN 0.241 nan 8.290 nan 0.000 0.408 1371 Q N -0.686 118.906 119.800 -0.346 0.000 2.364 1371 Q HA -0.188 4.152 4.340 0.000 0.000 0.209 1371 Q C 2.012 177.863 176.000 -0.249 0.000 0.977 1371 Q CA 1.198 56.858 55.803 -0.237 0.000 0.885 1371 Q CB -0.202 28.450 28.738 -0.144 0.000 0.941 1371 Q HN 0.558 nan 8.270 nan 0.000 0.464 1372 R N 0.208 120.502 120.500 -0.344 0.000 2.100 1372 R HA -0.040 4.300 4.340 0.000 0.000 0.220 1372 R C 1.075 177.210 176.300 -0.274 0.000 1.091 1372 R CA 0.540 56.432 56.100 -0.347 0.000 0.986 1372 R CB 0.240 30.194 30.300 -0.576 0.000 0.888 1372 R HN 0.119 nan 8.270 nan 0.000 0.444 1373 L N 1.077 122.122 121.223 -0.297 0.000 2.627 1373 L HA 0.202 4.542 4.340 0.000 0.000 0.232 1373 L C 0.031 176.751 176.870 -0.251 0.000 1.150 1373 L CA 0.827 55.492 54.840 -0.293 0.000 0.917 1373 L CB -0.189 41.661 42.059 -0.349 0.000 1.104 1373 L HN 0.055 nan 8.230 nan 0.000 0.445 1374 R N -1.672 118.699 120.500 -0.215 0.000 2.888 1374 R HA 0.690 5.030 4.340 0.000 0.000 0.266 1374 R C 0.104 176.326 176.300 -0.130 0.000 1.020 1374 R CA -0.247 55.752 56.100 -0.168 0.000 0.963 1374 R CB 1.272 31.473 30.300 -0.166 0.000 1.197 1374 R HN -0.116 nan 8.270 nan 0.000 0.481 1375 A N 0.941 123.700 122.820 -0.103 0.000 2.577 1375 A HA 0.297 4.617 4.320 0.000 0.000 0.280 1375 A C 0.735 178.279 177.584 -0.066 0.000 1.331 1375 A CA -0.108 51.882 52.037 -0.079 0.000 0.935 1375 A CB -0.233 18.727 19.000 -0.067 0.000 1.082 1375 A HN 0.769 nan 8.150 nan 0.000 0.525 1386 L N 1.829 123.097 121.223 0.074 0.000 2.360 1386 L HA 0.418 4.758 4.340 0.000 0.000 0.276 1386 L C 0.178 177.112 176.870 0.107 0.000 1.121 1386 L CA -0.719 54.163 54.840 0.071 0.000 0.845 1386 L CB 1.370 43.486 42.059 0.096 0.000 1.143 1386 L HN 0.249 nan 8.230 nan 0.000 0.452 1387 V N 2.779 122.734 119.914 0.068 0.000 2.370 1387 V HA 0.223 4.343 4.120 0.000 0.000 0.279 1387 V C -0.161 175.935 176.094 0.003 0.000 1.029 1387 V CA -0.580 61.795 62.300 0.125 0.000 0.870 1387 V CB 1.635 33.547 31.823 0.148 0.000 0.984 1387 V HN 0.604 nan 8.190 nan 0.000 0.451 1388 D N 4.065 124.480 120.400 0.025 0.000 2.303 1388 D HA 0.274 4.914 4.640 0.000 0.000 0.236 1388 D C -0.518 175.834 176.300 0.085 0.000 1.068 1388 D CA -0.313 53.689 54.000 0.003 0.000 0.830 1388 D CB 2.106 42.928 40.800 0.036 0.000 1.109 1388 D HN 0.265 nan 8.370 nan 0.000 0.496 1389 V N 4.582 124.595 119.914 0.165 0.000 2.313 1389 V HA 0.173 4.293 4.120 0.000 0.000 0.252 1389 V C 0.774 177.154 176.094 0.476 0.000 1.112 1389 V CA -0.249 62.259 62.300 0.346 0.000 0.984 1389 V CB -0.049 32.097 31.823 0.539 0.000 1.157 1389 V HN 0.592 nan 8.190 nan 0.000 0.493 1390 S N 2.470 118.339 115.700 0.282 0.000 2.718 1390 S HA 0.475 4.945 4.470 0.000 0.000 0.300 1390 S C 0.009 174.690 174.600 0.134 0.000 1.117 1390 S CA -0.605 57.752 58.200 0.261 0.000 1.002 1390 S CB 1.453 64.748 63.200 0.159 0.000 1.092 1390 S HN 0.679 nan 8.310 nan 0.000 0.542 1391 D N -0.242 120.215 120.400 0.096 0.000 2.686 1391 D HA -0.162 4.478 4.640 0.000 0.000 0.235 1391 D C -0.355 175.870 176.300 -0.125 0.000 1.160 1391 D CA 0.926 54.922 54.000 -0.007 0.000 0.645 1391 D CB -1.401 39.401 40.800 0.004 0.000 1.039 1391 D HN 0.650 nan 8.370 nan 0.000 0.423 1392 M N 0.530 119.928 119.600 -0.338 0.000 2.184 1392 M HA 0.252 4.732 4.480 0.000 0.000 0.351 1392 M C -0.965 175.047 176.300 -0.480 0.000 1.395 1392 M CA -0.188 54.767 55.300 -0.576 0.000 1.117 1392 M CB 0.994 32.703 32.600 -1.484 0.000 1.708 1392 M HN -0.069 nan 8.290 nan 0.000 0.468 1393 V N 6.507 126.223 119.914 -0.329 0.000 2.483 1393 V HA 0.488 4.608 4.120 0.000 0.000 0.297 1393 V C -0.841 175.087 176.094 -0.276 0.000 1.027 1393 V CA -0.867 61.254 62.300 -0.299 0.000 0.855 1393 V CB 1.823 33.524 31.823 -0.204 0.000 0.995 1393 V HN 0.618 nan 8.190 nan 0.000 0.424 1394 V N 4.597 124.334 119.914 -0.296 0.000 2.333 1394 V HA 0.349 4.469 4.120 0.000 0.000 0.274 1394 V C 0.463 176.459 176.094 -0.164 0.000 1.028 1394 V CA -0.198 61.987 62.300 -0.193 0.000 0.851 1394 V CB 1.234 32.989 31.823 -0.112 0.000 1.000 1394 V HN 0.905 nan 8.190 nan 0.000 0.456 1395 D N 3.136 123.466 120.400 -0.118 0.000 2.269 1395 D HA 0.117 4.757 4.640 0.000 0.000 0.220 1395 D C 0.466 176.739 176.300 -0.045 0.000 0.962 1395 D CA 0.799 54.745 54.000 -0.089 0.000 0.884 1395 D CB 0.774 41.517 40.800 -0.096 0.000 1.023 1395 D HN 0.443 nan 8.370 nan 0.000 0.484 1396 K N 0.518 120.908 120.400 -0.016 0.000 2.427 1396 K HA 0.601 4.921 4.320 0.000 0.000 0.252 1396 K C -0.919 175.781 176.600 0.166 0.000 0.931 1396 K CA -0.647 55.657 56.287 0.029 0.000 0.793 1396 K CB 3.083 35.548 32.500 -0.057 0.000 1.211 1396 K HN -0.083 nan 8.250 nan 0.000 0.426 1397 A N 2.152 125.040 122.820 0.113 0.000 2.520 1397 A HA 0.175 4.495 4.320 0.000 0.000 0.235 1397 A C -0.559 177.108 177.584 0.139 0.000 1.065 1397 A CA -0.033 52.059 52.037 0.090 0.000 0.764 1397 A CB 0.013 19.029 19.000 0.027 0.000 1.002 1397 A HN 0.541 nan 8.150 nan 0.000 0.502 1398 L N 3.566 124.754 121.223 -0.057 0.000 2.319 1398 L HA 0.575 4.915 4.340 0.000 0.000 0.281 1398 L C -0.793 175.942 176.870 -0.224 0.000 1.005 1398 L CA -0.170 54.493 54.840 -0.295 0.000 0.828 1398 L CB 1.565 43.239 42.059 -0.641 0.000 1.227 1398 L HN 0.334 nan 8.230 nan 0.000 0.415 1399 V N 7.353 127.178 119.914 -0.147 0.000 2.311 1399 V HA 0.400 4.520 4.120 0.000 0.000 0.275 1399 V C -2.087 173.900 176.094 -0.178 0.000 1.022 1399 V CA -1.399 60.820 62.300 -0.135 0.000 0.830 1399 V CB 1.128 32.920 31.823 -0.052 0.000 1.012 1399 V HN 0.704 nan 8.190 nan 0.000 0.452 1400 P HA 0.131 nan 4.420 nan 0.000 0.267 1400 P C 0.418 177.587 177.300 -0.217 0.000 1.328 1400 P CA -0.016 62.898 63.100 -0.311 0.000 0.990 1400 P CB 0.117 31.639 31.700 -0.297 0.000 1.168 1401 H N 1.931 120.961 119.070 -0.067 0.000 2.423 1401 H HA 0.033 4.589 4.556 0.000 0.000 0.297 1401 H C 1.584 176.895 175.328 -0.029 0.000 1.075 1401 H CA 1.012 57.036 56.048 -0.039 0.000 1.342 1401 H CB -0.914 28.837 29.762 -0.018 0.000 1.395 1401 H HN 0.437 nan 8.280 nan 0.000 0.530 1402 G N -0.005 108.848 108.800 0.087 0.000 2.155 1402 G HA2 -0.357 3.603 3.960 0.000 0.000 0.257 1402 G HA3 -0.357 3.603 3.960 0.000 0.000 0.257 1402 G C 0.151 175.194 174.900 0.238 0.000 0.983 1402 G CA 0.460 45.633 45.100 0.121 0.000 0.676 1402 G HN 0.461 nan 8.290 nan 0.000 0.528 1403 K N 1.047 121.748 120.400 0.502 0.000 2.265 1403 K HA 0.573 4.893 4.320 0.000 0.000 0.242 1403 K C 1.051 177.735 176.600 0.141 0.000 1.137 1403 K CA 0.901 57.274 56.287 0.143 0.000 1.082 1403 K CB 0.329 32.759 32.500 -0.116 0.000 1.731 1403 K HN 1.554 nan 8.250 nan 0.000 0.392 1404 G N 2.357 111.249 108.800 0.154 0.000 2.725 1404 G HA2 -0.188 3.772 3.960 0.000 0.000 0.220 1404 G HA3 -0.188 3.772 3.960 0.000 0.000 0.220 1404 G C -2.622 172.393 174.900 0.193 0.000 1.357 1404 G CA -1.091 44.091 45.100 0.136 0.000 0.866 1404 G HN 0.323 nan 8.290 nan 0.000 0.548 1405 P HA 0.244 nan 4.420 nan 0.000 0.268 1405 P C -0.621 176.775 177.300 0.160 0.000 1.204 1405 P CA 0.473 63.651 63.100 0.131 0.000 0.768 1405 P CB 1.180 32.946 31.700 0.109 0.000 0.842 1406 Q N 3.077 122.917 119.800 0.067 0.000 2.533 1406 Q HA 0.349 4.689 4.340 0.000 0.000 0.251 1406 Q C -1.140 174.859 176.000 -0.002 0.000 0.966 1406 Q CA -0.477 55.324 55.803 -0.004 0.000 0.714 1406 Q CB 0.480 29.054 28.738 -0.274 0.000 1.284 1406 Q HN 0.422 nan 8.270 nan 0.000 0.478 1407 L N 4.360 125.609 121.223 0.044 0.000 2.315 1407 L HA 0.318 4.658 4.340 0.000 0.000 0.283 1407 L C -0.423 176.509 176.870 0.104 0.000 1.089 1407 L CA -0.670 54.217 54.840 0.079 0.000 0.833 1407 L CB 0.461 42.586 42.059 0.110 0.000 1.170 1407 L HN 0.511 nan 8.230 nan 0.000 0.442 1408 L N 5.441 126.726 121.223 0.103 0.000 2.257 1408 L HA 0.405 4.745 4.340 0.000 0.000 0.290 1408 L C -0.143 176.845 176.870 0.196 0.000 1.044 1408 L CA 0.032 54.973 54.840 0.168 0.000 0.810 1408 L CB 0.787 42.950 42.059 0.174 0.000 1.193 1408 L HN 0.472 nan 8.230 nan 0.000 0.425 1409 R N 3.104 123.757 120.500 0.253 0.000 2.346 1409 R HA 0.588 4.928 4.340 0.000 0.000 0.311 1409 R C -0.690 175.688 176.300 0.131 0.000 0.983 1409 R CA -0.499 55.699 56.100 0.164 0.000 0.880 1409 R CB 1.455 31.814 30.300 0.098 0.000 1.100 1409 R HN 0.605 nan 8.270 nan 0.000 0.453 1410 T N 2.079 116.656 114.554 0.038 0.000 2.758 1410 T HA 0.277 4.627 4.350 0.000 0.000 0.285 1410 T C -0.377 174.240 174.700 -0.139 0.000 0.981 1410 T CA -0.419 61.609 62.100 -0.120 0.000 0.965 1410 T CB 1.551 70.381 68.868 -0.064 0.000 0.927 1410 T HN 0.390 nan 8.240 nan 0.000 0.448 1411 T N 4.224 118.656 114.554 -0.203 0.000 2.791 1411 T HA 0.537 4.887 4.350 0.000 0.000 0.288 1411 T C -0.534 174.082 174.700 -0.140 0.000 0.999 1411 T CA -0.566 61.457 62.100 -0.128 0.000 0.952 1411 T CB 0.732 69.546 68.868 -0.089 0.000 0.938 1411 T HN 0.435 nan 8.240 nan 0.000 0.444 1412 L N 4.377 125.558 121.223 -0.070 0.000 2.322 1412 L HA 0.805 5.145 4.340 0.000 0.000 0.281 1412 L C -0.236 176.632 176.870 -0.002 0.000 1.014 1412 L CA -0.300 54.522 54.840 -0.031 0.000 0.815 1412 L CB 1.394 43.473 42.059 0.033 0.000 1.247 1412 L HN 0.763 nan 8.230 nan 0.000 0.421 1413 T N 2.260 116.810 114.554 -0.007 0.000 2.893 1413 T HA 0.677 5.027 4.350 0.000 0.000 0.293 1413 T C -0.513 174.190 174.700 0.005 0.000 1.027 1413 T CA -0.830 61.262 62.100 -0.014 0.000 0.988 1413 T CB 1.689 70.529 68.868 -0.046 0.000 1.043 1413 T HN 0.582 nan 8.240 nan 0.000 0.461 1414 M N 1.491 121.085 119.600 -0.011 0.000 2.658 1414 M HA 0.617 5.097 4.480 0.000 0.000 0.295 1414 M C -0.888 175.286 176.300 -0.211 0.000 1.248 1414 M CA -0.772 54.542 55.300 0.024 0.000 0.843 1414 M CB 2.964 35.738 32.600 0.290 0.000 1.749 1414 M HN 0.738 nan 8.290 nan 0.000 0.464 1415 E N 0.654 120.767 120.200 -0.144 0.000 2.366 1415 E HA 0.631 4.981 4.350 0.000 0.000 0.278 1415 E C -2.072 174.502 176.600 -0.043 0.000 0.923 1415 E CA -0.705 55.497 56.400 -0.329 0.000 0.761 1415 E CB 2.868 32.464 29.700 -0.174 0.000 1.231 1415 E HN 0.615 nan 8.360 nan 0.000 0.443 1416 W N -0.038 121.270 121.300 0.014 0.000 3.161 1416 W HA 0.481 5.141 4.660 0.000 0.000 0.314 1416 W C -3.320 173.205 176.519 0.010 0.000 1.245 1416 W CA -2.027 55.327 57.345 0.015 0.000 1.191 1416 W CB -0.947 28.525 29.460 0.021 0.000 1.392 1416 W HN 0.201 nan 8.180 nan 0.000 0.568 1417 P HA 0.174 nan 4.420 nan 0.000 0.269 1417 P C -1.804 175.660 177.300 0.274 0.000 1.209 1417 P CA -0.542 62.678 63.100 0.201 0.000 0.776 1417 P CB 0.523 32.305 31.700 0.137 0.000 0.876 1418 P HA -0.210 nan 4.420 nan 0.000 0.219 1418 P C 0.949 178.330 177.300 0.135 0.000 1.144 1418 P CA 1.639 64.835 63.100 0.160 0.000 0.806 1418 P CB -0.002 31.751 31.700 0.088 0.000 0.771 1419 K N -0.609 119.853 120.400 0.104 0.000 1.965 1419 K HA 0.106 4.426 4.320 0.000 0.000 0.214 1419 K C 0.883 177.495 176.600 0.020 0.000 1.046 1419 K CA 1.316 57.636 56.287 0.054 0.000 0.944 1419 K CB -0.327 32.197 32.500 0.041 0.000 0.726 1419 K HN 0.080 nan 8.250 nan 0.000 0.441 1420 A N -0.927 121.889 122.820 -0.006 0.000 2.547 1420 A HA 0.631 4.951 4.320 0.000 0.000 0.297 1420 A C -0.391 177.023 177.584 -0.283 0.000 1.056 1420 A CA -0.246 51.717 52.037 -0.123 0.000 0.688 1420 A CB 1.815 20.756 19.000 -0.099 0.000 1.282 1420 A HN 0.190 nan 8.150 nan 0.000 0.400 1421 A N 0.778 123.231 122.820 -0.612 0.000 2.220 1421 A HA 0.491 4.811 4.320 0.000 0.000 0.211 1421 A C 1.831 179.059 177.584 -0.592 0.000 1.176 1421 A CA 1.400 52.762 52.037 -1.125 0.000 0.834 1421 A CB -0.387 17.272 19.000 -2.234 0.000 0.868 1421 A HN 1.990 nan 8.150 nan 0.000 0.488 1422 A N 0.293 122.891 122.820 -0.371 0.000 2.178 1422 A HA -0.035 4.285 4.320 0.000 0.000 0.218 1422 A C 2.069 179.572 177.584 -0.135 0.000 1.157 1422 A CA 1.963 53.859 52.037 -0.235 0.000 0.689 1422 A CB -0.936 17.958 19.000 -0.176 0.000 0.787 1422 A HN 0.694 nan 8.150 nan 0.000 0.465 1423 T N -3.920 110.572 114.554 -0.103 0.000 3.086 1423 T HA 0.122 4.472 4.350 0.000 0.000 0.250 1423 T C 0.629 175.363 174.700 0.058 0.000 1.074 1423 T CA 0.472 62.565 62.100 -0.012 0.000 0.988 1423 T CB -0.533 68.336 68.868 0.002 0.000 0.988 1423 T HN 0.166 nan 8.240 nan 0.000 0.530 1424 T N 3.304 117.899 114.554 0.068 0.000 2.867 1424 T HA 0.182 4.532 4.350 0.000 0.000 0.297 1424 T C 0.914 175.799 174.700 0.309 0.000 0.989 1424 T CA -0.081 62.141 62.100 0.202 0.000 1.159 1424 T CB 0.554 69.593 68.868 0.285 0.000 0.928 1424 T HN 0.365 nan 8.240 nan 0.000 0.538 1425 R N 1.363 121.986 120.500 0.206 0.000 2.535 1425 R HA 0.240 4.580 4.340 0.000 0.000 0.323 1425 R C 0.333 176.445 176.300 -0.313 0.000 0.979 1425 R CA -0.181 56.008 56.100 0.149 0.000 1.120 1425 R CB 0.533 30.894 30.300 0.101 0.000 1.306 1425 R HN 0.698 nan 8.270 nan 0.000 0.540 1426 S N -0.518 115.000 115.700 -0.304 0.000 2.588 1426 S HA 0.828 5.298 4.470 0.000 0.000 0.269 1426 S C -1.433 173.043 174.600 -0.206 0.000 1.157 1426 S CA -0.740 57.212 58.200 -0.412 0.000 0.824 1426 S CB 2.527 65.614 63.200 -0.188 0.000 1.126 1426 S HN 0.104 nan 8.310 nan 0.000 0.464 1427 A N 1.298 124.013 122.820 -0.175 0.000 2.547 1427 A HA 0.775 5.095 4.320 0.000 0.000 0.297 1427 A C -1.386 176.178 177.584 -0.034 0.000 1.056 1427 A CA -0.898 51.122 52.037 -0.028 0.000 0.688 1427 A CB 1.411 20.454 19.000 0.072 0.000 1.282 1427 A HN 0.600 nan 8.150 nan 0.000 0.400 1428 K N 0.943 121.329 120.400 -0.023 0.000 2.205 1428 K HA 0.607 4.927 4.320 0.000 0.000 0.279 1428 K C -0.787 175.778 176.600 -0.059 0.000 1.027 1428 K CA -0.240 56.024 56.287 -0.038 0.000 0.932 1428 K CB 1.615 34.090 32.500 -0.042 0.000 1.032 1428 K HN 0.472 nan 8.250 nan 0.000 0.466 1429 V N 3.274 123.135 119.914 -0.088 0.000 2.709 1429 V HA 0.418 4.538 4.120 0.000 0.000 0.308 1429 V C -0.353 175.550 176.094 -0.319 0.000 1.062 1429 V CA -0.960 61.212 62.300 -0.213 0.000 0.901 1429 V CB 2.155 33.858 31.823 -0.201 0.000 1.003 1429 V HN 0.600 nan 8.190 nan 0.000 0.425 1430 K N 3.489 123.614 120.400 -0.458 0.000 2.375 1430 K HA 0.717 5.037 4.320 0.000 0.000 0.249 1430 K C -1.820 174.434 176.600 -0.576 0.000 0.942 1430 K CA -0.550 55.517 56.287 -0.367 0.000 0.806 1430 K CB 2.731 35.139 32.500 -0.155 0.000 1.227 1430 K HN 0.478 nan 8.250 nan 0.000 0.430 1431 F N 1.044 120.936 119.950 -0.097 0.000 2.477 1431 F HA 0.613 5.140 4.527 0.000 0.000 0.335 1431 F C -0.016 175.770 175.800 -0.024 0.000 1.130 1431 F CA -0.726 57.228 58.000 -0.077 0.000 0.948 1431 F CB 2.090 40.904 39.000 -0.310 0.000 1.154 1431 F HN 0.528 nan 8.300 nan 0.000 0.439 1432 A N 1.144 124.102 122.820 0.230 0.000 2.574 1432 A HA 0.781 5.101 4.320 0.000 0.000 0.297 1432 A C -0.602 177.070 177.584 0.147 0.000 1.062 1432 A CA -0.856 51.254 52.037 0.121 0.000 0.686 1432 A CB 1.208 20.160 19.000 -0.078 0.000 1.285 1432 A HN 0.672 nan 8.150 nan 0.000 0.403 1433 T N -0.682 113.888 114.554 0.025 0.000 2.875 1433 T HA 0.723 5.073 4.350 0.000 0.000 0.284 1433 T C -0.711 173.780 174.700 -0.348 0.000 0.995 1433 T CA -0.165 61.927 62.100 -0.014 0.000 1.060 1433 T CB 0.592 69.481 68.868 0.035 0.000 0.967 1433 T HN 0.431 nan 8.240 nan 0.000 0.476 1434 Y N 0.163 120.383 120.300 -0.134 0.000 2.545 1434 Y HA 0.600 5.150 4.550 0.000 0.000 0.348 1434 Y C -0.140 175.656 175.900 -0.174 0.000 1.002 1434 Y CA -1.562 56.456 58.100 -0.136 0.000 1.039 1434 Y CB 1.563 40.024 38.460 0.002 0.000 1.271 1434 Y HN 0.608 nan 8.280 nan 0.000 0.467 1435 F N 0.742 120.809 119.950 0.194 0.000 2.368 1435 F HA 0.556 5.083 4.527 0.000 0.000 0.308 1435 F C 0.587 176.464 175.800 0.128 0.000 1.198 1435 F CA -0.976 57.104 58.000 0.134 0.000 1.130 1435 F CB 0.449 39.501 39.000 0.087 0.000 1.300 1435 F HN 0.481 nan 8.300 nan 0.000 0.537 1436 A N 1.766 124.769 122.820 0.304 0.000 2.410 1436 A HA 0.430 4.750 4.320 0.000 0.000 0.292 1436 A C -0.293 177.384 177.584 0.156 0.000 1.232 1436 A CA -0.287 51.860 52.037 0.183 0.000 0.893 1436 A CB -1.097 17.987 19.000 0.140 0.000 1.131 1436 A HN 0.852 nan 8.150 nan 0.000 0.530 1441 D N 1.076 121.213 120.400 -0.437 0.000 2.652 1441 D HA 0.326 4.966 4.640 0.000 0.000 0.261 1441 D C -0.403 175.746 176.300 -0.251 0.000 1.024 1441 D CA 1.193 54.956 54.000 -0.395 0.000 0.958 1441 D CB 0.996 41.294 40.800 -0.837 0.000 1.113 1441 D HN 0.614 nan 8.370 nan 0.000 0.471 1442 T N 0.096 114.419 114.554 -0.386 0.000 3.087 1442 T HA 0.233 4.583 4.350 0.000 0.000 0.351 1442 T C -1.492 172.836 174.700 -0.620 0.000 1.520 1442 T CA -0.724 61.105 62.100 -0.452 0.000 1.111 1442 T CB 2.117 70.688 68.868 -0.495 0.000 1.353 1442 T HN -0.110 nan 8.240 nan 0.000 0.481 1443 E N 1.263 121.176 120.200 -0.478 0.000 2.115 1443 E HA 0.308 4.658 4.350 0.000 0.000 0.282 1443 E C 0.051 176.406 176.600 -0.409 0.000 0.987 1443 E CA -0.323 55.868 56.400 -0.348 0.000 0.797 1443 E CB 1.072 30.654 29.700 -0.196 0.000 1.086 1443 E HN 0.638 nan 8.360 nan 0.000 0.397 1444 H N 1.663 120.663 119.070 -0.117 0.000 2.418 1444 H HA 0.286 4.842 4.556 0.000 0.000 0.300 1444 H C 0.289 175.474 175.328 -0.238 0.000 1.041 1444 H CA 0.714 56.670 56.048 -0.154 0.000 1.364 1444 H CB 0.632 30.311 29.762 -0.137 0.000 1.439 1444 H HN 0.501 nan 8.280 nan 0.000 0.540 1445 A N -0.141 122.581 122.820 -0.163 0.000 2.581 1445 A HA 0.689 5.009 4.320 0.000 0.000 0.290 1445 A C -1.113 176.504 177.584 0.055 0.000 1.119 1445 A CA -0.107 51.811 52.037 -0.198 0.000 0.670 1445 A CB 1.228 19.875 19.000 -0.587 0.000 1.280 1445 A HN 0.298 nan 8.150 nan 0.000 0.425 1446 S N -1.501 114.225 115.700 0.042 0.000 2.565 1446 S HA 0.807 5.277 4.470 0.000 0.000 0.269 1446 S C -0.513 174.129 174.600 0.069 0.000 1.153 1446 S CA -0.191 58.064 58.200 0.091 0.000 0.835 1446 S CB 0.785 63.974 63.200 -0.018 0.000 1.122 1446 S HN 2.670 nan 8.310 nan 0.000 0.462 1447 C N -0.419 118.939 119.300 0.096 0.000 3.306 1447 C HA 0.883 5.343 4.460 0.000 0.000 0.335 1447 C C -0.812 174.207 174.990 0.048 0.000 1.382 1447 C CA -0.480 58.578 59.018 0.065 0.000 1.254 1447 C CB 0.852 28.676 27.740 0.140 0.000 1.555 1447 C HN 0.983 nan 8.230 nan 0.000 0.463 1448 T N 2.196 116.774 114.554 0.040 0.000 2.791 1448 T HA 0.586 4.936 4.350 0.000 0.000 0.288 1448 T C 0.076 174.784 174.700 0.013 0.000 0.999 1448 T CA -0.297 61.808 62.100 0.008 0.000 0.952 1448 T CB 1.003 69.864 68.868 -0.011 0.000 0.938 1448 T HN 1.554 nan 8.240 nan 0.000 0.444 1449 V N 2.837 122.741 119.914 -0.018 0.000 2.546 1449 V HA 0.672 4.792 4.120 0.000 0.000 0.284 1449 V C -0.093 175.834 176.094 -0.279 0.000 1.050 1449 V CA -0.796 61.477 62.300 -0.044 0.000 0.981 1449 V CB 0.563 32.411 31.823 0.041 0.000 0.990 1449 V HN 0.749 nan 8.190 nan 0.000 0.474 1450 R N 3.644 123.991 120.500 -0.254 0.000 2.621 1450 R HA 0.600 4.940 4.340 0.000 0.000 0.292 1450 R C -1.593 174.544 176.300 -0.270 0.000 0.969 1450 R CA -0.563 55.306 56.100 -0.385 0.000 0.887 1450 R CB 2.077 32.295 30.300 -0.137 0.000 1.180 1450 R HN 0.695 nan 8.270 nan 0.000 0.450 1451 F N 1.194 121.168 119.950 0.039 0.000 2.384 1451 F HA 0.227 4.754 4.527 0.000 0.000 0.359 1451 F C 1.100 176.918 175.800 0.030 0.000 1.143 1451 F CA -0.629 57.386 58.000 0.026 0.000 1.216 1451 F CB 0.631 39.641 39.000 0.016 0.000 1.512 1451 F HN 0.322 nan 8.300 nan 0.000 0.573 1452 T N 1.072 115.715 114.554 0.149 0.000 2.824 1452 T HA 0.506 4.856 4.350 0.000 0.000 0.277 1452 T C 0.568 175.329 174.700 0.101 0.000 0.975 1452 T CA -0.447 61.714 62.100 0.102 0.000 0.966 1452 T CB 0.694 69.612 68.868 0.084 0.000 1.054 1452 T HN 0.604 nan 8.240 nan 0.000 0.533 1453 S N 0.716 116.464 115.700 0.081 0.000 2.686 1453 S HA 0.325 4.795 4.470 0.000 0.000 0.270 1453 S C 0.252 174.893 174.600 0.069 0.000 1.194 1453 S CA -0.343 57.896 58.200 0.066 0.000 0.990 1453 S CB 0.828 64.057 63.200 0.049 0.000 1.029 1453 S HN 0.798 nan 8.310 nan 0.000 0.560 1454 D N -0.893 119.534 120.400 0.044 0.000 2.358 1454 D HA 0.336 4.976 4.640 0.000 0.000 0.224 1454 D C 1.447 177.740 176.300 -0.011 0.000 1.123 1454 D CA 0.158 54.172 54.000 0.023 0.000 0.833 1454 D CB -0.290 40.512 40.800 0.003 0.000 0.946 1454 D HN 0.519 nan 8.370 nan 0.000 0.505 1455 A N 0.805 123.629 122.820 0.007 0.000 1.883 1455 A HA -0.313 4.007 4.320 0.000 0.000 0.217 1455 A C 2.185 179.753 177.584 -0.027 0.000 1.186 1455 A CA 1.899 53.933 52.037 -0.006 0.000 0.624 1455 A CB -0.800 18.207 19.000 0.013 0.000 0.822 1455 A HN 0.375 nan 8.150 nan 0.000 0.444 1456 Q N -0.962 118.832 119.800 -0.009 0.000 2.084 1456 Q HA -0.181 4.159 4.340 0.000 0.000 0.202 1456 Q C 1.998 177.912 176.000 -0.144 0.000 0.978 1456 Q CA 1.712 57.491 55.803 -0.040 0.000 0.844 1456 Q CB -0.283 28.478 28.738 0.038 0.000 0.898 1456 Q HN 0.525 nan 8.270 nan 0.000 0.426 1457 L N 1.243 122.347 121.223 -0.199 0.000 2.012 1457 L HA -0.206 4.134 4.340 0.000 0.000 0.210 1457 L C 1.915 178.611 176.870 -0.290 0.000 1.073 1457 L CA 2.022 56.580 54.840 -0.470 0.000 0.748 1457 L CB -0.469 41.250 42.059 -0.566 0.000 0.891 1457 L HN 0.115 nan 8.230 nan 0.000 0.431 1458 K N -1.013 119.284 120.400 -0.171 0.000 2.097 1458 K HA -0.163 4.157 4.320 0.000 0.000 0.206 1458 K C 2.345 178.885 176.600 -0.100 0.000 1.049 1458 K CA 1.482 57.700 56.287 -0.115 0.000 0.933 1458 K CB -0.385 32.072 32.500 -0.072 0.000 0.717 1458 K HN 0.436 nan 8.250 nan 0.000 0.442 1459 S N 1.146 116.787 115.700 -0.098 0.000 2.356 1459 S HA -0.075 4.395 4.470 0.000 0.000 0.223 1459 S C 1.937 176.483 174.600 -0.089 0.000 1.032 1459 S CA 0.885 59.037 58.200 -0.080 0.000 1.005 1459 S CB -0.185 62.973 63.200 -0.069 0.000 0.867 1459 S HN 0.195 nan 8.310 nan 0.000 0.449 1460 L N 0.736 121.878 121.223 -0.136 0.000 2.083 1460 L HA -0.071 4.269 4.340 0.000 0.000 0.209 1460 L C 2.905 179.762 176.870 -0.022 0.000 1.083 1460 L CA 1.342 56.128 54.840 -0.090 0.000 0.752 1460 L CB -0.454 41.473 42.059 -0.220 0.000 0.899 1460 L HN 0.281 nan 8.230 nan 0.000 0.433 1461 R N -0.259 120.192 120.500 -0.081 0.000 2.096 1461 R HA -0.116 4.224 4.340 0.000 0.000 0.235 1461 R C 2.331 178.616 176.300 -0.026 0.000 1.127 1461 R CA 1.080 57.151 56.100 -0.049 0.000 0.968 1461 R CB -0.192 30.062 30.300 -0.077 0.000 0.861 1461 R HN 0.339 nan 8.270 nan 0.000 0.440 1462 R N -0.401 120.074 120.500 -0.041 0.000 2.235 1462 R HA 0.041 4.381 4.340 0.000 0.000 0.213 1462 R C 1.255 177.524 176.300 -0.052 0.000 1.059 1462 R CA 0.838 56.913 56.100 -0.041 0.000 0.997 1462 R CB 0.229 30.502 30.300 -0.045 0.000 0.884 1462 R HN 0.045 nan 8.270 nan 0.000 0.462 1463 S N -0.016 115.651 115.700 -0.055 0.000 2.557 1463 S HA 0.065 4.535 4.470 0.000 0.000 0.223 1463 S C 1.693 176.237 174.600 -0.093 0.000 0.969 1463 S CA -0.196 57.918 58.200 -0.143 0.000 0.927 1463 S CB 0.598 63.638 63.200 -0.267 0.000 0.806 1463 S HN 0.006 nan 8.310 nan 0.000 0.489 1464 V N 2.676 122.624 119.914 0.057 0.000 2.252 1464 V HA -0.232 3.888 4.120 0.000 0.000 0.249 1464 V C 2.774 178.913 176.094 0.075 0.000 1.056 1464 V CA 2.318 64.706 62.300 0.146 0.000 1.022 1464 V CB -1.108 30.770 31.823 0.092 0.000 0.641 1464 V HN 0.740 nan 8.190 nan 0.000 0.445 1465 S N -0.348 115.352 115.700 0.001 0.000 2.400 1465 S HA -0.298 4.172 4.470 0.000 0.000 0.232 1465 S C 1.945 176.500 174.600 -0.074 0.000 1.025 1465 S CA 1.958 60.143 58.200 -0.026 0.000 0.993 1465 S CB -0.473 62.703 63.200 -0.039 0.000 0.808 1465 S HN 0.755 nan 8.310 nan 0.000 0.478 1466 E N -0.361 119.757 120.200 -0.138 0.000 2.072 1466 E HA -0.135 4.215 4.350 0.000 0.000 0.191 1466 E C 1.664 178.136 176.600 -0.213 0.000 0.985 1466 E CA 1.117 57.373 56.400 -0.240 0.000 0.801 1466 E CB -0.231 29.289 29.700 -0.301 0.000 0.750 1466 E HN 0.699 nan 8.360 nan 0.000 0.452 1467 Y N 1.144 121.437 120.300 -0.012 0.000 2.200 1467 Y HA -0.129 4.421 4.550 0.000 0.000 0.290 1467 Y C 2.288 178.117 175.900 -0.118 0.000 1.137 1467 Y CA 0.952 59.025 58.100 -0.046 0.000 1.163 1467 Y CB -0.131 38.349 38.460 0.034 0.000 0.988 1467 Y HN -0.059 nan 8.280 nan 0.000 0.518 1468 K N -0.448 120.007 120.400 0.093 0.000 2.063 1468 K HA -0.123 4.197 4.320 0.000 0.000 0.208 1468 K C 2.009 178.608 176.600 -0.002 0.000 1.048 1468 K CA 1.708 58.025 56.287 0.049 0.000 0.928 1468 K CB -1.081 31.443 32.500 0.040 0.000 0.713 1468 K HN 0.290 nan 8.250 nan 0.000 0.442 1469 T N 0.919 115.427 114.554 -0.076 0.000 2.777 1469 T HA -0.103 4.247 4.350 0.000 0.000 0.266 1469 T C 1.700 176.328 174.700 -0.120 0.000 1.040 1469 T CA 1.027 63.057 62.100 -0.117 0.000 1.141 1469 T CB -0.212 68.533 68.868 -0.205 0.000 0.868 1469 T HN 0.258 nan 8.240 nan 0.000 0.444 1470 H N 0.744 119.733 119.070 -0.134 0.000 2.352 1470 H HA 0.038 4.594 4.556 0.000 0.000 0.299 1470 H C 2.372 177.623 175.328 -0.129 0.000 1.097 1470 H CA 1.122 57.051 56.048 -0.198 0.000 1.311 1470 H CB -0.465 28.957 29.762 -0.566 0.000 1.377 1470 H HN 0.350 nan 8.280 nan 0.000 0.504 1471 I N 0.332 120.894 120.570 -0.013 0.000 2.179 1471 I HA -0.258 3.912 4.170 0.000 0.000 0.242 1471 I C 2.894 179.151 176.117 0.234 0.000 1.088 1471 I CA 1.074 62.450 61.300 0.126 0.000 1.357 1471 I CB -0.253 37.844 38.000 0.162 0.000 1.051 1471 I HN 0.107 nan 8.210 nan 0.000 0.409 1472 R N 0.955 121.560 120.500 0.176 0.000 2.091 1472 R HA -0.218 4.122 4.340 0.000 0.000 0.238 1472 R C 2.272 178.687 176.300 0.192 0.000 1.136 1472 R CA 1.656 57.869 56.100 0.187 0.000 0.959 1472 R CB -0.120 30.234 30.300 0.089 0.000 0.856 1472 R HN 0.461 nan 8.270 nan 0.000 0.437 1473 Q N 0.086 119.976 119.800 0.150 0.000 2.167 1473 Q HA -0.132 4.208 4.340 0.000 0.000 0.202 1473 Q C 2.231 178.390 176.000 0.266 0.000 0.970 1473 Q CA 1.220 57.130 55.803 0.178 0.000 0.855 1473 Q CB -0.003 28.827 28.738 0.153 0.000 0.911 1473 Q HN 0.398 nan 8.270 nan 0.000 0.438 1474 L N -0.211 121.142 121.223 0.215 0.000 2.056 1474 L HA -0.181 4.159 4.340 0.000 0.000 0.207 1474 L C 2.370 179.379 176.870 0.232 0.000 1.078 1474 L CA 0.939 55.892 54.840 0.188 0.000 0.749 1474 L CB -0.448 41.605 42.059 -0.010 0.000 0.901 1474 L HN 0.349 nan 8.230 nan 0.000 0.433 1475 H N -0.242 118.972 119.070 0.240 0.000 2.389 1475 H HA -0.126 4.430 4.556 0.000 0.000 0.299 1475 H C 1.686 177.132 175.328 0.197 0.000 1.081 1475 H CA 1.387 57.562 56.048 0.212 0.000 1.345 1475 H CB 0.026 29.866 29.762 0.130 0.000 1.393 1475 H HN 0.370 nan 8.280 nan 0.000 0.520 1476 D N -0.197 120.363 120.400 0.268 0.000 2.178 1476 D HA -0.075 4.565 4.640 0.000 0.000 0.202 1476 D C 2.369 178.732 176.300 0.105 0.000 0.974 1476 D CA 0.950 55.043 54.000 0.154 0.000 0.841 1476 D CB -0.528 40.343 40.800 0.117 0.000 0.953 1476 D HN 0.410 nan 8.370 nan 0.000 0.478 1477 G N -0.073 108.832 108.800 0.175 0.000 2.402 1477 G HA2 -0.307 3.653 3.960 0.000 0.000 0.216 1477 G HA3 -0.307 3.653 3.960 0.000 0.000 0.216 1477 G C 1.540 176.376 174.900 -0.106 0.000 1.162 1477 G CA 1.088 46.138 45.100 -0.082 0.000 0.777 1477 G HN 0.358 nan 8.290 nan 0.000 0.539 1478 H N 1.308 120.430 119.070 0.086 0.000 2.353 1478 H HA 0.138 4.694 4.556 0.000 0.000 0.300 1478 H C 2.531 177.862 175.328 0.005 0.000 1.090 1478 H CA 1.704 57.787 56.048 0.059 0.000 1.327 1478 H CB -0.379 29.455 29.762 0.119 0.000 1.383 1478 H HN 0.263 nan 8.280 nan 0.000 0.508 1479 A N 0.330 123.070 122.820 -0.133 0.000 2.178 1479 A HA -0.094 4.226 4.320 0.000 0.000 0.218 1479 A C 1.845 179.321 177.584 -0.179 0.000 1.157 1479 A CA 1.463 53.388 52.037 -0.186 0.000 0.689 1479 A CB -0.220 18.761 19.000 -0.033 0.000 0.787 1479 A HN 0.546 nan 8.150 nan 0.000 0.465 1480 K N -1.787 118.510 120.400 -0.172 0.000 2.387 1480 K HA 0.303 4.623 4.320 0.000 0.000 0.203 1480 K C 0.857 177.352 176.600 -0.176 0.000 1.030 1480 K CA 0.369 56.564 56.287 -0.153 0.000 1.099 1480 K CB 0.404 32.824 32.500 -0.133 0.000 0.863 1480 K HN 0.537 nan 8.250 nan 0.000 0.529 1481 G N 2.107 110.778 108.800 -0.215 0.000 2.143 1481 G HA2 -0.326 3.634 3.960 0.000 0.000 0.248 1481 G HA3 -0.326 3.634 3.960 0.000 0.000 0.248 1481 G C 0.631 175.432 174.900 -0.165 0.000 0.991 1481 G CA 0.450 45.447 45.100 -0.170 0.000 0.689 1481 G HN 0.406 nan 8.290 nan 0.000 0.522 1482 Q N -1.534 118.095 119.800 -0.285 0.000 2.250 1482 Q HA 0.337 4.677 4.340 0.000 0.000 0.200 1482 Q C 0.361 176.120 176.000 -0.402 0.000 0.941 1482 Q CA 0.725 56.252 55.803 -0.460 0.000 0.872 1482 Q CB 0.378 28.621 28.738 -0.825 0.000 0.965 1482 Q HN 0.538 nan 8.270 nan 0.000 0.480 1483 F N -0.297 119.701 119.950 0.079 0.000 2.579 1483 F HA 0.426 4.953 4.527 0.000 0.000 0.324 1483 F C 0.087 175.956 175.800 0.115 0.000 1.058 1483 F CA -1.507 56.547 58.000 0.089 0.000 0.944 1483 F CB 0.858 39.910 39.000 0.086 0.000 1.245 1483 F HN -0.146 nan 8.300 nan 0.000 0.477 1484 M N 1.958 121.712 119.600 0.256 0.000 2.235 1484 M HA 0.308 4.788 4.480 0.000 0.000 0.351 1484 M C -0.184 176.063 176.300 -0.087 0.000 1.178 1484 M CA 0.026 55.339 55.300 0.023 0.000 1.143 1484 M CB 0.938 33.491 32.600 -0.077 0.000 1.530 1484 M HN 0.637 nan 8.290 nan 0.000 0.461 1485 R N 2.574 122.890 120.500 -0.308 0.000 2.439 1485 R HA 0.431 4.771 4.340 0.000 0.000 0.310 1485 R C -1.967 174.128 176.300 -0.341 0.000 0.955 1485 R CA -0.377 55.496 56.100 -0.378 0.000 0.853 1485 R CB 1.076 30.845 30.300 -0.886 0.000 1.171 1485 R HN 0.534 nan 8.270 nan 0.000 0.449 1486 Y N 2.603 122.882 120.300 -0.034 0.000 2.328 1486 Y HA 0.311 4.861 4.550 0.000 0.000 0.337 1486 Y C 0.437 176.307 175.900 -0.050 0.000 1.008 1486 Y CA -0.610 57.467 58.100 -0.037 0.000 1.129 1486 Y CB 1.396 39.800 38.460 -0.093 0.000 1.185 1486 Y HN 0.483 nan 8.280 nan 0.000 0.476 1487 N N 2.445 121.219 118.700 0.123 0.000 2.503 1487 N HA 0.121 4.861 4.740 0.000 0.000 0.267 1487 N C 1.340 176.889 175.510 0.065 0.000 1.214 1487 N CA -0.239 52.867 53.050 0.093 0.000 0.959 1487 N CB 0.899 39.433 38.487 0.078 0.000 1.142 1487 N HN 0.730 nan 8.380 nan 0.000 0.455 1488 R N 2.015 122.548 120.500 0.055 0.000 2.168 1488 R HA -0.231 4.109 4.340 0.000 0.000 0.242 1488 R C 1.322 177.704 176.300 0.136 0.000 1.123 1488 R CA 2.035 58.170 56.100 0.058 0.000 0.928 1488 R CB -0.050 30.319 30.300 0.115 0.000 0.873 1488 R HN 0.520 nan 8.270 nan 0.000 0.434 1489 K N -0.917 119.573 120.400 0.149 0.000 2.147 1489 K HA -0.081 4.239 4.320 0.000 0.000 0.205 1489 K C 2.097 178.786 176.600 0.148 0.000 1.049 1489 K CA 1.849 58.237 56.287 0.168 0.000 0.936 1489 K CB -0.045 32.524 32.500 0.114 0.000 0.722 1489 K HN 0.339 nan 8.250 nan 0.000 0.446 1490 T N 0.279 114.908 114.554 0.126 0.000 2.857 1490 T HA -0.074 4.276 4.350 0.000 0.000 0.266 1490 T C 1.929 176.706 174.700 0.128 0.000 1.048 1490 T CA 1.343 63.536 62.100 0.155 0.000 1.139 1490 T CB -0.308 68.681 68.868 0.203 0.000 0.874 1490 T HN 0.465 nan 8.240 nan 0.000 0.455 1491 G N -0.024 108.771 108.800 -0.009 0.000 2.402 1491 G HA2 -0.180 3.780 3.960 0.000 0.000 0.216 1491 G HA3 -0.180 3.780 3.960 0.000 0.000 0.216 1491 G C 1.210 175.970 174.900 -0.234 0.000 1.162 1491 G CA 0.408 45.324 45.100 -0.306 0.000 0.777 1491 G HN 0.455 nan 8.290 nan 0.000 0.539 1492 Y N 0.745 121.001 120.300 -0.074 0.000 2.293 1492 Y HA 0.008 4.558 4.550 0.000 0.000 0.291 1492 Y C 2.710 178.648 175.900 0.064 0.000 1.137 1492 Y CA 1.374 59.460 58.100 -0.024 0.000 1.202 1492 Y CB -0.076 38.352 38.460 -0.053 0.000 0.990 1492 Y HN 0.166 nan 8.280 nan 0.000 0.537 1493 K N 0.231 120.741 120.400 0.183 0.000 2.057 1493 K HA -0.204 4.116 4.320 0.000 0.000 0.207 1493 K C 2.044 178.713 176.600 0.115 0.000 1.049 1493 K CA 1.277 57.651 56.287 0.144 0.000 0.931 1493 K CB -0.454 32.120 32.500 0.125 0.000 0.714 1493 K HN 0.257 nan 8.250 nan 0.000 0.440 1494 L N 0.961 122.242 121.223 0.097 0.000 2.127 1494 L HA -0.131 4.209 4.340 0.000 0.000 0.211 1494 L C 1.912 178.807 176.870 0.041 0.000 1.089 1494 L CA 1.585 56.458 54.840 0.056 0.000 0.757 1494 L CB -0.126 41.929 42.059 -0.006 0.000 0.899 1494 L HN 0.288 nan 8.230 nan 0.000 0.434 1495 M N -1.533 118.124 119.600 0.095 0.000 2.502 1495 M HA 0.091 4.571 4.480 0.000 0.000 0.243 1495 M C 2.274 178.653 176.300 0.131 0.000 1.130 1495 M CA 0.900 56.266 55.300 0.111 0.000 1.055 1495 M CB -0.853 31.870 32.600 0.206 0.000 1.457 1495 M HN 0.495 nan 8.290 nan 0.000 0.488 1496 S N 0.589 116.373 115.700 0.140 0.000 2.440 1496 S HA -0.138 4.332 4.470 0.000 0.000 0.240 1496 S C 1.945 176.581 174.600 0.059 0.000 1.014 1496 S CA 1.724 59.995 58.200 0.118 0.000 0.980 1496 S CB -0.757 62.512 63.200 0.115 0.000 0.775 1496 S HN 0.579 nan 8.310 nan 0.000 0.499 1497 S N 0.863 116.588 115.700 0.041 0.000 2.461 1497 S HA 0.122 4.592 4.470 0.000 0.000 0.228 1497 S C 1.807 176.406 174.600 -0.000 0.000 1.005 1497 S CA 0.665 58.874 58.200 0.016 0.000 0.942 1497 S CB -0.425 62.782 63.200 0.011 0.000 0.776 1497 S HN 0.646 nan 8.310 nan 0.000 0.514 1498 M N 1.326 120.927 119.600 0.001 0.000 2.276 1498 M HA 0.406 4.886 4.480 0.000 0.000 0.262 1498 M C 0.345 176.614 176.300 -0.052 0.000 1.098 1498 M CA 1.119 56.406 55.300 -0.022 0.000 1.167 1498 M CB 0.351 32.941 32.600 -0.017 0.000 1.337 1498 M HN 0.416 nan 8.290 nan 0.000 0.446 1499 A N 0.453 123.243 122.820 -0.050 0.000 2.574 1499 A HA 0.717 5.037 4.320 0.000 0.000 0.297 1499 A C -1.166 176.343 177.584 -0.125 0.000 1.062 1499 A CA -0.838 51.095 52.037 -0.173 0.000 0.686 1499 A CB 1.369 20.140 19.000 -0.382 0.000 1.285 1499 A HN 0.466 nan 8.150 nan 0.000 0.403 1500 R N -0.138 120.242 120.500 -0.201 0.000 2.787 1500 R HA 0.785 5.125 4.340 0.000 0.000 0.271 1500 R C -1.526 174.627 176.300 -0.245 0.000 0.993 1500 R CA -0.383 55.695 56.100 -0.037 0.000 0.993 1500 R CB 1.486 31.782 30.300 -0.007 0.000 1.155 1500 R HN 0.599 nan 8.270 nan 0.000 0.486 1501 F N 0.040 119.967 119.950 -0.037 0.000 2.546 1501 F HA 0.287 4.814 4.527 0.000 0.000 0.320 1501 F C 0.571 176.331 175.800 -0.065 0.000 1.076 1501 F CA -1.077 56.898 58.000 -0.043 0.000 0.928 1501 F CB 1.388 40.359 39.000 -0.047 0.000 1.189 1501 F HN 0.373 nan 8.300 nan 0.000 0.465 1502 N N 3.118 121.878 118.700 0.099 0.000 2.454 1502 N HA 0.040 4.780 4.740 0.000 0.000 0.260 1502 N C -1.963 173.646 175.510 0.165 0.000 1.218 1502 N CA -1.269 51.828 53.050 0.078 0.000 0.904 1502 N CB 1.293 39.792 38.487 0.019 0.000 1.065 1502 N HN 0.224 nan 8.380 nan 0.000 0.462 1503 P HA -0.112 nan 4.420 nan 0.000 0.217 1503 P C 0.279 177.627 177.300 0.080 0.000 1.148 1503 P CA 1.190 64.317 63.100 0.046 0.000 0.828 1503 P CB 0.254 31.974 31.700 0.033 0.000 0.783 1504 D N -2.552 117.942 120.400 0.158 0.000 2.350 1504 D HA -0.110 4.530 4.640 0.000 0.000 0.216 1504 D C 1.077 177.433 176.300 0.093 0.000 0.968 1504 D CA 1.033 55.103 54.000 0.118 0.000 0.894 1504 D CB -0.341 40.539 40.800 0.134 0.000 0.909 1504 D HN 0.312 nan 8.370 nan 0.000 0.520 1505 Y N -0.362 119.967 120.300 0.049 0.000 2.462 1505 Y HA 0.266 4.816 4.550 0.000 0.000 0.261 1505 Y C 1.149 177.057 175.900 0.013 0.000 1.146 1505 Y CA 0.013 58.173 58.100 0.101 0.000 1.283 1505 Y CB 0.053 38.667 38.460 0.257 0.000 1.090 1505 Y HN -0.156 nan 8.280 nan 0.000 0.526 1506 M N 1.275 120.863 119.600 -0.020 0.000 3.422 1506 M HA 0.138 4.618 4.480 0.000 0.000 0.248 1506 M C 0.118 176.405 176.300 -0.023 0.000 1.433 1506 M CA 0.454 55.547 55.300 -0.344 0.000 1.592 1506 M CB -0.141 32.050 32.600 -0.681 0.000 1.078 1506 M HN 0.218 nan 8.290 nan 0.000 0.578 1507 L N 0.445 121.736 121.223 0.113 0.000 2.640 1507 L HA 0.206 4.546 4.340 0.000 0.000 0.230 1507 L C -0.056 176.871 176.870 0.095 0.000 1.123 1507 L CA -0.234 54.688 54.840 0.137 0.000 0.900 1507 L CB 0.072 42.270 42.059 0.232 0.000 1.146 1507 L HN 0.423 nan 8.230 nan 0.000 0.484 1508 L N 0.967 122.247 121.223 0.094 0.000 2.325 1508 L HA 0.047 4.387 4.340 0.000 0.000 0.284 1508 L C 1.132 177.959 176.870 -0.072 0.000 1.089 1508 L CA 0.576 55.365 54.840 -0.084 0.000 0.836 1508 L CB 0.584 42.482 42.059 -0.267 0.000 1.184 1508 L HN -0.054 nan 8.230 nan 0.000 0.444 1509 D N 2.556 122.891 120.400 -0.107 0.000 2.123 1509 D HA -0.083 4.557 4.640 0.000 0.000 0.200 1509 D C -0.255 176.086 176.300 0.069 0.000 0.976 1509 D CA 1.334 55.333 54.000 -0.001 0.000 0.831 1509 D CB 0.344 41.172 40.800 0.046 0.000 0.974 1509 D HN 0.445 nan 8.370 nan 0.000 0.469 1510 Y N -2.443 117.816 120.300 -0.069 0.000 2.641 1510 Y HA 0.569 5.119 4.550 0.000 0.000 0.333 1510 Y C -1.827 174.011 175.900 -0.103 0.000 1.174 1510 Y CA -1.519 56.536 58.100 -0.074 0.000 1.057 1510 Y CB 0.959 39.402 38.460 -0.027 0.000 1.322 1510 Y HN -0.155 nan 8.280 nan 0.000 0.457 1511 L N 2.578 123.814 121.223 0.023 0.000 2.543 1511 L HA 0.743 5.083 4.340 0.000 0.000 0.265 1511 L C -1.915 175.013 176.870 0.096 0.000 0.945 1511 L CA -0.860 53.950 54.840 -0.050 0.000 0.869 1511 L CB 2.036 43.941 42.059 -0.257 0.000 1.294 1511 L HN 0.738 nan 8.230 nan 0.000 0.405 1512 V N 5.255 125.204 119.914 0.059 0.000 2.394 1512 V HA 0.456 4.576 4.120 0.000 0.000 0.282 1512 V C -0.418 175.689 176.094 0.022 0.000 1.031 1512 V CA -0.456 61.847 62.300 0.005 0.000 0.881 1512 V CB 1.582 33.324 31.823 -0.135 0.000 0.982 1512 V HN 0.535 nan 8.190 nan 0.000 0.451 1513 L N 5.236 126.511 121.223 0.087 0.000 2.356 1513 L HA 0.613 4.953 4.340 0.000 0.000 0.277 1513 L C -0.332 176.489 176.870 -0.082 0.000 0.996 1513 L CA -0.239 54.624 54.840 0.039 0.000 0.822 1513 L CB 1.759 43.939 42.059 0.202 0.000 1.256 1513 L HN 0.655 nan 8.230 nan 0.000 0.413 1514 N N 3.118 121.624 118.700 -0.324 0.000 2.589 1514 N HA 0.191 4.931 4.740 0.000 0.000 0.232 1514 N C 0.480 175.898 175.510 -0.153 0.000 1.015 1514 N CA -0.060 52.693 53.050 -0.496 0.000 0.931 1514 N CB 0.600 38.518 38.487 -0.949 0.000 1.150 1514 N HN 0.738 nan 8.380 nan 0.000 0.512 1515 E N 2.000 122.195 120.200 -0.008 0.000 2.160 1515 E HA -0.204 4.146 4.350 0.000 0.000 0.195 1515 E C 1.478 178.068 176.600 -0.017 0.000 0.991 1515 E CA 1.357 57.752 56.400 -0.007 0.000 0.810 1515 E CB -0.004 29.718 29.700 0.037 0.000 0.742 1515 E HN 0.757 nan 8.360 nan 0.000 0.466 1516 A N 1.238 124.070 122.820 0.019 0.000 1.978 1516 A HA -0.189 4.131 4.320 0.000 0.000 0.220 1516 A C 1.696 179.268 177.584 -0.019 0.000 1.170 1516 A CA 1.342 53.391 52.037 0.019 0.000 0.636 1516 A CB 0.016 19.056 19.000 0.067 0.000 0.810 1516 A HN 0.044 nan 8.150 nan 0.000 0.448 1517 E N -0.478 119.690 120.200 -0.053 0.000 2.693 1517 E HA 0.077 4.427 4.350 0.000 0.000 0.214 1517 E C -0.579 175.946 176.600 -0.124 0.000 0.990 1517 E CA -0.321 56.033 56.400 -0.078 0.000 1.047 1517 E CB -0.040 29.621 29.700 -0.066 0.000 1.039 1517 E HN 0.530 nan 8.360 nan 0.000 0.475 1518 N N 2.203 120.825 118.700 -0.130 0.000 2.707 1518 N HA -0.236 4.504 4.740 0.000 0.000 0.253 1518 N C -0.131 175.265 175.510 -0.189 0.000 0.998 1518 N CA 1.003 53.954 53.050 -0.164 0.000 0.751 1518 N CB -1.022 37.346 38.487 -0.200 0.000 0.920 1518 N HN 0.466 nan 8.380 nan 0.000 0.539 1519 E N -0.106 119.981 120.200 -0.189 0.000 2.151 1519 E HA 0.658 5.008 4.350 0.000 0.000 0.275 1519 E C -0.891 175.587 176.600 -0.203 0.000 0.936 1519 E CA -0.687 55.575 56.400 -0.229 0.000 0.777 1519 E CB 1.193 30.781 29.700 -0.185 0.000 1.108 1519 E HN 0.319 nan 8.360 nan 0.000 0.401 1520 A N 2.896 125.582 122.820 -0.223 0.000 2.475 1520 A HA 0.813 5.133 4.320 0.000 0.000 0.301 1520 A C -1.453 176.109 177.584 -0.037 0.000 1.059 1520 A CA -0.362 51.608 52.037 -0.113 0.000 0.710 1520 A CB 1.906 20.863 19.000 -0.072 0.000 1.288 1520 A HN 0.622 nan 8.150 nan 0.000 0.408 1521 A N 0.718 123.559 122.820 0.035 0.000 2.335 1521 A HA 0.812 5.132 4.320 0.000 0.000 0.304 1521 A C -0.292 177.300 177.584 0.012 0.000 1.118 1521 A CA -0.070 52.040 52.037 0.122 0.000 0.757 1521 A CB 1.152 20.238 19.000 0.145 0.000 1.188 1521 A HN 1.749 nan 8.150 nan 0.000 0.460 1522 S N 1.416 117.071 115.700 -0.074 0.000 2.570 1522 S HA 0.787 5.257 4.470 0.000 0.000 0.286 1522 S C -0.072 174.224 174.600 -0.506 0.000 1.099 1522 S CA 0.090 58.081 58.200 -0.349 0.000 0.913 1522 S CB 1.597 64.620 63.200 -0.294 0.000 1.085 1522 S HN 1.594 nan 8.310 nan 0.000 0.480 1523 G N 1.832 109.930 108.800 -1.170 0.000 2.370 1523 G HA2 0.564 4.524 3.960 0.000 0.000 0.317 1523 G HA3 0.564 4.524 3.960 0.000 0.000 0.317 1523 G C -0.477 174.142 174.900 -0.468 0.000 1.162 1523 G CA -0.518 44.127 45.100 -0.759 0.000 0.922 1523 G HN 1.229 nan 8.290 nan 0.000 0.454 1524 V N 0.496 120.245 119.914 -0.276 0.000 2.398 1524 V HA 0.634 4.754 4.120 0.000 0.000 0.286 1524 V C -1.019 174.891 176.094 -0.306 0.000 1.026 1524 V CA -1.174 60.989 62.300 -0.228 0.000 0.868 1524 V CB 1.976 33.703 31.823 -0.160 0.000 0.982 1524 V HN 0.511 nan 8.190 nan 0.000 0.443 1525 D N 4.018 124.303 120.400 -0.192 0.000 2.461 1525 D HA 0.395 5.035 4.640 0.000 0.000 0.240 1525 D C 0.373 176.655 176.300 -0.029 0.000 1.094 1525 D CA -0.580 53.313 54.000 -0.177 0.000 0.868 1525 D CB 1.245 42.002 40.800 -0.072 0.000 1.062 1525 D HN 0.440 nan 8.370 nan 0.000 0.530 1526 F N 1.346 121.250 119.950 -0.077 0.000 2.546 1526 F HA -0.096 4.431 4.527 0.000 0.000 0.298 1526 F C 2.574 178.332 175.800 -0.071 0.000 1.120 1526 F CA 0.458 58.366 58.000 -0.152 0.000 1.456 1526 F CB -0.940 37.795 39.000 -0.443 0.000 1.088 1526 F HN 0.342 nan 8.300 nan 0.000 0.572 1527 S N -0.478 115.284 115.700 0.105 0.000 2.561 1527 S HA -0.035 4.435 4.470 0.000 0.000 0.225 1527 S C 1.698 176.331 174.600 0.056 0.000 0.977 1527 S CA 0.372 58.612 58.200 0.067 0.000 0.926 1527 S CB -0.782 62.434 63.200 0.028 0.000 0.769 1527 S HN 0.449 nan 8.310 nan 0.000 0.533 1528 L N 0.949 122.210 121.223 0.063 0.000 2.552 1528 L HA 0.294 4.634 4.340 0.000 0.000 0.227 1528 L C 1.356 178.252 176.870 0.043 0.000 1.146 1528 L CA 0.284 55.153 54.840 0.049 0.000 0.858 1528 L CB -0.554 41.535 42.059 0.049 0.000 0.969 1528 L HN 0.517 nan 8.230 nan 0.000 0.451 1529 G N -1.444 107.385 108.800 0.049 0.000 2.730 1529 G HA2 0.407 4.367 3.960 0.000 0.000 0.289 1529 G HA3 0.407 4.367 3.960 0.000 0.000 0.289 1529 G C -1.425 173.484 174.900 0.015 0.000 1.341 1529 G CA -0.300 44.815 45.100 0.026 0.000 0.932 1529 G HN -0.159 nan 8.290 nan 0.000 0.481 1530 S N -1.053 114.654 115.700 0.011 0.000 2.525 1530 S HA 0.565 5.035 4.470 0.000 0.000 0.278 1530 S C 0.459 175.043 174.600 -0.027 0.000 1.234 1530 S CA 0.118 58.329 58.200 0.019 0.000 1.058 1530 S CB 0.940 64.169 63.200 0.049 0.000 0.983 1530 S HN 1.404 nan 8.310 nan 0.000 0.495 1531 S N 2.973 118.660 115.700 -0.022 0.000 2.598 1531 S HA 0.316 4.786 4.470 0.000 0.000 0.209 1531 S C -0.905 173.816 174.600 0.202 0.000 1.029 1531 S CA -0.858 57.294 58.200 -0.079 0.000 1.172 1531 S CB 0.159 62.972 63.200 -0.644 0.000 1.427 1531 S HN 0.630 nan 8.310 nan 0.000 0.418 1532 E N 1.455 121.793 120.200 0.230 0.000 2.331 1532 E HA 0.730 5.080 4.350 0.000 0.000 0.272 1532 E C 0.745 177.531 176.600 0.310 0.000 1.036 1532 E CA 0.478 57.016 56.400 0.230 0.000 0.864 1532 E CB 1.299 31.079 29.700 0.133 0.000 1.035 1532 E HN 0.862 nan 8.360 nan 0.000 0.408 1533 G N 1.076 109.974 108.800 0.163 0.000 2.334 1533 G HA2 0.049 4.009 3.960 0.000 0.000 0.315 1533 G HA3 0.049 4.009 3.960 0.000 0.000 0.315 1533 G C -0.913 173.728 174.900 -0.431 0.000 1.284 1533 G CA -0.362 44.643 45.100 -0.159 0.000 0.985 1533 G HN 0.633 nan 8.290 nan 0.000 0.504 1534 T N -1.613 112.401 114.554 -0.900 0.000 2.829 1534 T HA 0.856 5.206 4.350 0.000 0.000 0.280 1534 T C -0.653 173.380 174.700 -1.112 0.000 0.999 1534 T CA -0.577 61.123 62.100 -0.667 0.000 0.983 1534 T CB 1.636 70.311 68.868 -0.322 0.000 0.968 1534 T HN 1.096 nan 8.240 nan 0.000 0.446 1535 F N -0.475 119.440 119.950 -0.059 0.000 2.745 1535 F HA 0.732 5.259 4.527 0.000 0.000 0.316 1535 F C 1.069 176.834 175.800 -0.058 0.000 1.155 1535 F CA -1.399 56.541 58.000 -0.101 0.000 0.937 1535 F CB 0.927 39.823 39.000 -0.174 0.000 1.361 1535 F HN 0.683 nan 8.300 nan 0.000 0.472 1536 A N 0.325 123.236 122.820 0.151 0.000 1.924 1536 A HA 0.728 5.048 4.320 0.000 0.000 0.211 1536 A C 0.465 178.095 177.584 0.076 0.000 1.198 1536 A CA 0.890 52.977 52.037 0.084 0.000 0.657 1536 A CB -0.167 18.869 19.000 0.059 0.000 0.852 1536 A HN 1.029 nan 8.150 nan 0.000 0.454 1537 A N -0.326 122.530 122.820 0.060 0.000 2.530 1537 A HA 0.493 4.813 4.320 0.000 0.000 0.279 1537 A C -0.639 176.867 177.584 -0.131 0.000 1.109 1537 A CA -0.490 51.552 52.037 0.009 0.000 0.763 1537 A CB 0.069 19.095 19.000 0.042 0.000 1.257 1537 A HN 0.387 nan 8.150 nan 0.000 0.424 1538 H N 4.058 122.883 119.070 -0.409 0.000 3.125 1538 H HA 0.013 4.569 4.556 0.000 0.000 0.310 1538 H C -1.727 173.180 175.328 -0.701 0.000 0.980 1538 H CA -0.340 55.137 56.048 -0.952 0.000 1.422 1538 H CB 1.032 29.917 29.762 -1.462 0.000 1.432 1538 H HN 0.316 nan 8.280 nan 0.000 0.577 1539 P HA -0.149 nan 4.420 nan 0.000 0.216 1539 P C 1.064 178.182 177.300 -0.303 0.000 1.150 1539 P CA 2.112 65.011 63.100 -0.336 0.000 0.843 1539 P CB 0.140 31.699 31.700 -0.235 0.000 0.787 1540 A N -0.995 121.567 122.820 -0.430 0.000 1.929 1540 A HA -0.206 4.114 4.320 0.000 0.000 0.216 1540 A C 1.967 179.287 177.584 -0.441 0.000 1.176 1540 A CA 1.416 52.895 52.037 -0.931 0.000 0.628 1540 A CB -1.537 16.867 19.000 -0.993 0.000 0.816 1540 A HN 0.185 nan 8.150 nan 0.000 0.444 1541 H N -0.375 118.362 119.070 -0.555 0.000 2.321 1541 H HA -0.057 4.499 4.556 0.000 0.000 0.300 1541 H C 2.253 177.395 175.328 -0.309 0.000 1.087 1541 H CA 1.617 57.174 56.048 -0.820 0.000 1.319 1541 H CB -0.875 28.168 29.762 -1.198 0.000 1.379 1541 H HN 0.250 nan 8.280 nan 0.000 0.501 1542 V N 0.897 120.772 119.914 -0.064 0.000 2.358 1542 V HA -0.203 3.917 4.120 0.000 0.000 0.246 1542 V C 2.209 178.302 176.094 -0.001 0.000 1.047 1542 V CA 2.035 64.337 62.300 0.003 0.000 1.035 1542 V CB -0.468 31.356 31.823 0.001 0.000 0.658 1542 V HN 0.359 nan 8.190 nan 0.000 0.452 1543 D N 0.330 120.742 120.400 0.020 0.000 2.144 1543 D HA -0.145 4.495 4.640 0.000 0.000 0.199 1543 D C 2.116 178.500 176.300 0.141 0.000 0.984 1543 D CA 1.367 55.442 54.000 0.124 0.000 0.834 1543 D CB -0.122 40.874 40.800 0.327 0.000 0.955 1543 D HN 0.367 nan 8.370 nan 0.000 0.465 1544 A N 0.163 123.055 122.820 0.121 0.000 1.940 1544 A HA -0.154 4.166 4.320 0.000 0.000 0.219 1544 A C 2.352 179.986 177.584 0.083 0.000 1.176 1544 A CA 1.269 53.390 52.037 0.140 0.000 0.631 1544 A CB -0.813 18.315 19.000 0.214 0.000 0.814 1544 A HN 0.402 nan 8.150 nan 0.000 0.446 1545 I N 0.169 120.788 120.570 0.083 0.000 2.179 1545 I HA -0.244 3.926 4.170 0.000 0.000 0.242 1545 I C 2.845 178.901 176.117 -0.100 0.000 1.088 1545 I CA 1.893 63.215 61.300 0.037 0.000 1.357 1545 I CB -0.670 37.411 38.000 0.135 0.000 1.051 1545 I HN 0.553 nan 8.210 nan 0.000 0.409 1546 T N -1.882 112.552 114.554 -0.200 0.000 2.962 1546 T HA -0.169 4.181 4.350 0.000 0.000 0.270 1546 T C 1.741 176.371 174.700 -0.116 0.000 1.088 1546 T CA 0.870 62.780 62.100 -0.317 0.000 1.127 1546 T CB -0.325 68.310 68.868 -0.388 0.000 0.883 1546 T HN 0.387 nan 8.240 nan 0.000 0.493 1547 Q N 0.488 120.281 119.800 -0.012 0.000 2.170 1547 Q HA -0.049 4.291 4.340 0.000 0.000 0.203 1547 Q C 2.487 178.465 176.000 -0.036 0.000 0.976 1547 Q CA 1.339 57.157 55.803 0.025 0.000 0.858 1547 Q CB -0.430 28.324 28.738 0.026 0.000 0.907 1547 Q HN 0.490 nan 8.270 nan 0.000 0.433 1548 V N 0.641 120.505 119.914 -0.082 0.000 2.343 1548 V HA -0.294 3.826 4.120 0.000 0.000 0.247 1548 V C 2.193 178.245 176.094 -0.070 0.000 1.051 1548 V CA 1.911 64.154 62.300 -0.095 0.000 1.036 1548 V CB -0.887 30.865 31.823 -0.119 0.000 0.654 1548 V HN 0.398 nan 8.190 nan 0.000 0.451 1549 A N 0.414 123.166 122.820 -0.113 0.000 1.897 1549 A HA 0.027 4.347 4.320 0.000 0.000 0.215 1549 A C 2.417 179.942 177.584 -0.098 0.000 1.181 1549 A CA 1.600 53.554 52.037 -0.137 0.000 0.620 1549 A CB -1.119 17.769 19.000 -0.186 0.000 0.821 1549 A HN 0.506 nan 8.150 nan 0.000 0.443 1550 G N -1.236 107.537 108.800 -0.044 0.000 2.418 1550 G HA2 -0.227 3.733 3.960 0.000 0.000 0.217 1550 G HA3 -0.227 3.733 3.960 0.000 0.000 0.217 1550 G C 1.463 176.363 174.900 -0.000 0.000 1.158 1550 G CA 1.166 46.266 45.100 -0.000 0.000 0.771 1550 G HN 0.469 nan 8.290 nan 0.000 0.545 1551 F N 2.261 122.131 119.950 -0.134 0.000 2.146 1551 F HA 0.155 4.682 4.527 0.000 0.000 0.298 1551 F C 2.809 178.508 175.800 -0.168 0.000 1.096 1551 F CA 1.187 59.082 58.000 -0.176 0.000 1.275 1551 F CB -0.211 38.638 39.000 -0.252 0.000 1.008 1551 F HN 0.222 nan 8.300 nan 0.000 0.480 1552 A N 0.493 123.295 122.820 -0.030 0.000 1.917 1552 A HA -0.232 4.088 4.320 0.000 0.000 0.219 1552 A C 2.174 179.617 177.584 -0.235 0.000 1.182 1552 A CA 2.102 54.065 52.037 -0.123 0.000 0.633 1552 A CB -0.631 18.296 19.000 -0.123 0.000 0.819 1552 A HN 0.414 nan 8.150 nan 0.000 0.448 1553 M N -0.541 118.908 119.600 -0.252 0.000 2.098 1553 M HA -0.062 4.418 4.480 0.000 0.000 0.262 1553 M C 1.655 177.844 176.300 -0.185 0.000 1.072 1553 M CA 1.594 56.703 55.300 -0.319 0.000 1.133 1553 M CB -1.960 30.335 32.600 -0.509 0.000 1.344 1553 M HN 0.522 nan 8.290 nan 0.000 0.414 1554 N N 0.365 118.973 118.700 -0.152 0.000 2.459 1554 N HA 0.029 4.769 4.740 0.000 0.000 0.181 1554 N C 1.360 176.689 175.510 -0.301 0.000 1.046 1554 N CA 0.805 53.779 53.050 -0.127 0.000 0.904 1554 N CB -0.020 38.413 38.487 -0.090 0.000 0.964 1554 N HN 0.337 nan 8.380 nan 0.000 0.444 1555 A N 0.267 122.750 122.820 -0.561 0.000 2.251 1555 A HA -0.002 4.318 4.320 0.000 0.000 0.209 1555 A C 0.777 178.178 177.584 -0.305 0.000 1.187 1555 A CA -0.186 51.445 52.037 -0.677 0.000 0.823 1555 A CB -0.155 17.961 19.000 -1.473 0.000 0.846 1555 A HN 0.225 nan 8.150 nan 0.000 0.486 1556 N N 0.723 119.302 118.700 -0.201 0.000 2.458 1556 N HA -0.073 4.667 4.740 0.000 0.000 0.258 1556 N C 0.352 175.831 175.510 -0.051 0.000 1.219 1556 N CA 0.463 53.458 53.050 -0.092 0.000 0.902 1556 N CB 0.787 39.232 38.487 -0.070 0.000 1.076 1556 N HN 0.290 nan 8.380 nan 0.000 0.455 1557 D N 2.998 123.391 120.400 -0.012 0.000 2.182 1557 D HA -0.129 4.511 4.640 0.000 0.000 0.201 1557 D C 0.888 177.188 176.300 0.000 0.000 0.986 1557 D CA 1.542 55.545 54.000 0.005 0.000 0.847 1557 D CB 0.073 40.888 40.800 0.025 0.000 0.942 1557 D HN 0.659 nan 8.370 nan 0.000 0.467 1558 N N -1.078 117.623 118.700 0.001 0.000 2.461 1558 N HA 0.024 4.764 4.740 0.000 0.000 0.188 1558 N C -0.668 174.845 175.510 0.006 0.000 1.134 1558 N CA -0.259 52.794 53.050 0.005 0.000 0.878 1558 N CB 0.896 39.389 38.487 0.009 0.000 0.972 1558 N HN -0.005 nan 8.380 nan 0.000 0.456 1559 V N 1.507 121.423 119.914 0.002 0.000 2.364 1559 V HA 0.067 4.187 4.120 0.000 0.000 0.272 1559 V C -0.280 175.804 176.094 -0.017 0.000 1.036 1559 V CA -0.586 61.719 62.300 0.008 0.000 0.880 1559 V CB 1.205 33.051 31.823 0.038 0.000 0.991 1559 V HN 0.059 nan 8.190 nan 0.000 0.460 1560 D N 5.000 125.386 120.400 -0.023 0.000 2.441 1560 D HA 0.185 4.825 4.640 0.000 0.000 0.221 1560 D C 1.252 177.529 176.300 -0.038 0.000 1.156 1560 D CA -0.509 53.475 54.000 -0.027 0.000 0.896 1560 D CB 0.847 41.633 40.800 -0.024 0.000 1.028 1560 D HN 0.592 nan 8.370 nan 0.000 0.509 1561 I N 0.075 120.622 120.570 -0.038 0.000 3.241 1561 I HA -0.035 4.135 4.170 0.000 0.000 0.280 1561 I C 0.897 176.991 176.117 -0.038 0.000 1.320 1561 I CA 0.539 61.813 61.300 -0.043 0.000 1.413 1561 I CB 0.092 38.069 38.000 -0.040 0.000 1.060 1561 I HN 0.074 nan 8.210 nan 0.000 0.500 1562 E N 1.984 122.165 120.200 -0.032 0.000 2.371 1562 E HA -0.011 4.339 4.350 0.000 0.000 0.194 1562 E C 1.561 178.140 176.600 -0.035 0.000 1.012 1562 E CA 0.720 57.104 56.400 -0.028 0.000 0.860 1562 E CB 0.198 29.886 29.700 -0.019 0.000 0.811 1562 E HN 0.685 nan 8.360 nan 0.000 0.502 1563 K N -0.029 120.345 120.400 -0.043 0.000 2.380 1563 K HA 0.094 4.414 4.320 0.000 0.000 0.200 1563 K C 0.903 177.460 176.600 -0.072 0.000 1.201 1563 K CA 0.124 56.381 56.287 -0.050 0.000 0.916 1563 K CB 0.701 33.175 32.500 -0.044 0.000 1.187 1563 K HN 0.009 nan 8.250 nan 0.000 0.498 1564 Q N 0.904 120.649 119.800 -0.091 0.000 2.397 1564 Q HA 0.548 4.888 4.340 0.000 0.000 0.275 1564 Q C -1.006 174.893 176.000 -0.167 0.000 1.090 1564 Q CA -0.997 54.718 55.803 -0.146 0.000 0.809 1564 Q CB 2.460 31.091 28.738 -0.178 0.000 1.362 1564 Q HN -0.034 nan 8.270 nan 0.000 0.431 1565 V N -0.921 118.860 119.914 -0.222 0.000 3.087 1565 V HA 0.562 4.682 4.120 0.000 0.000 0.306 1565 V C -1.627 174.302 176.094 -0.276 0.000 1.187 1565 V CA -0.993 61.199 62.300 -0.181 0.000 0.999 1565 V CB 1.588 33.361 31.823 -0.083 0.000 1.049 1565 V HN 0.844 nan 8.190 nan 0.000 0.431 1566 Y N 2.628 122.898 120.300 -0.050 0.000 2.341 1566 Y HA 0.698 5.248 4.550 0.000 0.000 0.340 1566 Y C 0.549 176.437 175.900 -0.021 0.000 0.997 1566 Y CA -0.283 57.792 58.100 -0.042 0.000 1.149 1566 Y CB 1.808 40.234 38.460 -0.056 0.000 1.171 1566 Y HN 0.820 nan 8.280 nan 0.000 0.494 1567 V N 0.353 120.336 119.914 0.115 0.000 2.994 1567 V HA 0.548 4.668 4.120 0.000 0.000 0.318 1567 V C -0.219 175.956 176.094 0.134 0.000 1.085 1567 V CA -1.542 60.818 62.300 0.100 0.000 0.998 1567 V CB 1.669 33.529 31.823 0.062 0.000 1.063 1567 V HN 0.768 nan 8.190 nan 0.000 0.447 1568 N N 0.695 119.476 118.700 0.135 0.000 2.395 1568 N HA 0.170 4.910 4.740 0.000 0.000 0.246 1568 N C 0.201 175.818 175.510 0.179 0.000 1.246 1568 N CA 0.385 53.522 53.050 0.146 0.000 0.879 1568 N CB 0.325 38.894 38.487 0.138 0.000 1.098 1568 N HN 0.952 nan 8.380 nan 0.000 0.444 1569 H N -0.022 119.074 119.070 0.043 0.000 2.916 1569 H HA 0.336 4.892 4.556 0.000 0.000 0.229 1569 H C 0.487 175.789 175.328 -0.042 0.000 0.917 1569 H CA 0.830 56.885 56.048 0.011 0.000 1.048 1569 H CB 0.755 30.535 29.762 0.030 0.000 1.417 1569 H HN 0.731 nan 8.280 nan 0.000 0.445 1570 G N -1.222 107.586 108.800 0.013 0.000 2.332 1570 G HA2 0.256 4.216 3.960 0.000 0.000 0.265 1570 G HA3 0.256 4.216 3.960 0.000 0.000 0.265 1570 G C -1.801 173.153 174.900 0.090 0.000 1.329 1570 G CA -0.284 44.688 45.100 -0.214 0.000 0.949 1570 G HN 0.490 nan 8.290 nan 0.000 0.476 1571 W N -1.516 119.826 121.300 0.071 0.000 3.059 1571 W HA 0.752 5.412 4.660 0.000 0.000 0.329 1571 W C -0.348 176.242 176.519 0.119 0.000 1.246 1571 W CA -0.233 57.176 57.345 0.106 0.000 1.190 1571 W CB 0.276 29.845 29.460 0.181 0.000 1.423 1571 W HN 0.391 nan 8.180 nan 0.000 0.571 1572 D N 0.529 121.183 120.400 0.424 0.000 2.183 1572 D HA 0.063 4.703 4.640 0.000 0.000 0.205 1572 D C 0.199 176.734 176.300 0.392 0.000 0.962 1572 D CA 1.523 55.698 54.000 0.290 0.000 0.849 1572 D CB 0.603 41.515 40.800 0.187 0.000 0.978 1572 D HN 0.210 nan 8.370 nan 0.000 0.488 1573 S N -1.124 114.882 115.700 0.510 0.000 2.533 1573 S HA 0.528 4.998 4.470 0.000 0.000 0.271 1573 S C -2.020 172.761 174.600 0.301 0.000 1.143 1573 S CA -0.830 57.615 58.200 0.408 0.000 0.891 1573 S CB 0.829 64.193 63.200 0.273 0.000 1.105 1573 S HN 0.075 nan 8.310 nan 0.000 0.468 1574 F N 3.444 123.358 119.950 -0.060 0.000 2.617 1574 F HA 0.552 5.079 4.527 0.000 0.000 0.325 1574 F C -1.037 174.545 175.800 -0.363 0.000 1.179 1574 F CA -0.364 57.310 58.000 -0.543 0.000 0.965 1574 F CB 1.377 39.781 39.000 -0.993 0.000 1.232 1574 F HN 0.635 nan 8.300 nan 0.000 0.461 1575 Q N 6.726 126.032 119.800 -0.823 0.000 2.375 1575 Q HA 0.608 4.948 4.340 0.000 0.000 0.271 1575 Q C -1.306 173.933 176.000 -1.268 0.000 1.074 1575 Q CA -1.008 54.247 55.803 -0.914 0.000 0.808 1575 Q CB 3.645 32.050 28.738 -0.555 0.000 1.327 1575 Q HN 0.637 nan 8.270 nan 0.000 0.441 1576 I N 1.956 121.853 120.570 -1.121 0.000 2.406 1576 I HA 0.232 4.402 4.170 0.000 0.000 0.290 1576 I C -0.598 175.111 176.117 -0.680 0.000 0.999 1576 I CA -0.425 60.375 61.300 -0.833 0.000 1.124 1576 I CB 1.113 38.779 38.000 -0.557 0.000 1.289 1576 I HN 0.762 nan 8.210 nan 0.000 0.441 1577 Y N 3.079 123.315 120.300 -0.107 0.000 2.462 1577 Y HA 0.275 4.825 4.550 0.000 0.000 0.253 1577 Y C 0.840 176.727 175.900 -0.021 0.000 1.095 1577 Y CA -0.307 57.761 58.100 -0.054 0.000 1.283 1577 Y CB 0.658 39.098 38.460 -0.033 0.000 1.138 1577 Y HN 0.499 nan 8.280 nan 0.000 0.522 1578 Q N 1.608 121.465 119.800 0.095 0.000 2.359 1578 Q HA 0.347 4.687 4.340 0.000 0.000 0.274 1578 Q C -2.854 173.179 176.000 0.056 0.000 1.074 1578 Q CA -2.588 53.271 55.803 0.093 0.000 0.810 1578 Q CB 2.511 31.330 28.738 0.136 0.000 1.342 1578 Q HN -0.127 nan 8.270 nan 0.000 0.427 1579 P HA -0.027 nan 4.420 nan 0.000 0.267 1579 P C -0.615 176.754 177.300 0.116 0.000 1.200 1579 P CA 0.303 63.453 63.100 0.085 0.000 0.772 1579 P CB 0.545 32.306 31.700 0.102 0.000 0.855 1580 L N 2.536 123.824 121.223 0.108 0.000 2.422 1580 L HA 0.164 4.504 4.340 0.000 0.000 0.256 1580 L C 1.014 178.045 176.870 0.268 0.000 1.202 1580 L CA -0.397 54.526 54.840 0.140 0.000 1.119 1580 L CB -0.509 41.596 42.059 0.076 0.000 1.383 1580 L HN 0.351 nan 8.230 nan 0.000 0.411 1581 D N 2.420 123.040 120.400 0.367 0.000 2.472 1581 D HA -0.088 4.552 4.640 0.000 0.000 0.248 1581 D C 1.134 177.626 176.300 0.321 0.000 1.174 1581 D CA 0.054 54.240 54.000 0.311 0.000 0.883 1581 D CB 0.888 41.846 40.800 0.263 0.000 1.149 1581 D HN 0.484 nan 8.370 nan 0.000 0.488 1582 N N 1.284 120.130 118.700 0.244 0.000 2.571 1582 N HA -0.155 4.585 4.740 0.000 0.000 0.189 1582 N C 0.922 176.525 175.510 0.156 0.000 1.154 1582 N CA 0.511 53.689 53.050 0.214 0.000 0.907 1582 N CB 0.000 38.621 38.487 0.222 0.000 0.977 1582 N HN 0.183 nan 8.380 nan 0.000 0.449 1583 S N -2.296 113.476 115.700 0.119 0.000 2.523 1583 S HA 0.246 4.716 4.470 0.000 0.000 0.217 1583 S C 0.412 175.004 174.600 -0.013 0.000 0.996 1583 S CA -0.551 57.681 58.200 0.053 0.000 0.921 1583 S CB 0.377 63.602 63.200 0.041 0.000 0.829 1583 S HN 0.097 nan 8.310 nan 0.000 0.495 1584 K N 1.882 122.259 120.400 -0.038 0.000 2.139 1584 K HA 0.595 4.915 4.320 0.000 0.000 0.243 1584 K C -0.472 175.857 176.600 -0.452 0.000 0.983 1584 K CA -0.498 55.628 56.287 -0.268 0.000 0.890 1584 K CB 1.658 33.894 32.500 -0.439 0.000 1.090 1584 K HN 0.352 nan 8.250 nan 0.000 0.445 1585 S N 0.435 115.781 115.700 -0.589 0.000 2.578 1585 S HA 0.601 5.071 4.470 0.000 0.000 0.301 1585 S C -1.083 173.048 174.600 -0.783 0.000 1.091 1585 S CA -0.730 57.152 58.200 -0.530 0.000 1.032 1585 S CB 0.601 63.639 63.200 -0.269 0.000 1.064 1585 S HN 0.490 nan 8.310 nan 0.000 0.508 1586 Y N -0.388 119.698 120.300 -0.356 0.000 2.609 1586 Y HA 0.568 5.118 4.550 0.000 0.000 0.342 1586 Y C -0.551 175.254 175.900 -0.160 0.000 1.058 1586 Y CA -1.139 56.820 58.100 -0.236 0.000 1.055 1586 Y CB 1.728 40.017 38.460 -0.285 0.000 1.292 1586 Y HN 0.539 nan 8.280 nan 0.000 0.476 1587 Q N 0.952 120.811 119.800 0.099 0.000 2.293 1587 Q HA 0.666 5.006 4.340 0.000 0.000 0.261 1587 Q C -1.373 174.676 176.000 0.080 0.000 0.960 1587 Q CA -0.634 55.213 55.803 0.074 0.000 0.882 1587 Q CB 2.096 30.901 28.738 0.113 0.000 1.275 1587 Q HN 0.386 nan 8.270 nan 0.000 0.445 1588 V N 2.979 122.919 119.914 0.043 0.000 2.540 1588 V HA 0.512 4.632 4.120 0.000 0.000 0.302 1588 V C -1.414 174.739 176.094 0.097 0.000 1.035 1588 V CA -0.925 61.403 62.300 0.045 0.000 0.873 1588 V CB 1.207 33.019 31.823 -0.018 0.000 0.992 1588 V HN 0.726 nan 8.190 nan 0.000 0.428 1589 Y N 2.924 123.204 120.300 -0.034 0.000 2.442 1589 Y HA 0.755 5.305 4.550 0.000 0.000 0.344 1589 Y C -0.357 175.516 175.900 -0.046 0.000 0.976 1589 Y CA -0.295 57.791 58.100 -0.023 0.000 1.040 1589 Y CB 2.360 40.840 38.460 0.033 0.000 1.228 1589 Y HN 0.680 nan 8.280 nan 0.000 0.451 1590 T N 5.669 119.662 114.554 -0.935 0.000 2.932 1590 T HA 0.368 4.718 4.350 0.000 0.000 0.318 1590 T C -2.078 172.137 174.700 -0.807 0.000 1.265 1590 T CA -0.865 60.792 62.100 -0.739 0.000 1.036 1590 T CB 1.119 69.766 68.868 -0.369 0.000 1.209 1590 T HN 0.699 nan 8.240 nan 0.000 0.484 1591 K N 5.316 125.394 120.400 -0.536 0.000 2.626 1591 K HA 0.316 4.636 4.320 0.000 0.000 0.223 1591 K C 0.969 177.431 176.600 -0.230 0.000 0.992 1591 K CA -0.782 55.298 56.287 -0.345 0.000 1.024 1591 K CB 0.450 32.810 32.500 -0.233 0.000 1.225 1591 K HN 0.479 nan 8.250 nan 0.000 0.498 1592 M N 1.508 120.968 119.600 -0.234 0.000 2.319 1592 M HA 0.046 4.526 4.480 0.000 0.000 0.265 1592 M C 1.159 177.330 176.300 -0.215 0.000 1.068 1592 M CA 1.361 56.528 55.300 -0.221 0.000 1.118 1592 M CB -1.240 31.214 32.600 -0.244 0.000 1.395 1592 M HN 0.893 nan 8.290 nan 0.000 0.435 1593 G N 0.839 109.529 108.800 -0.184 0.000 2.692 1593 G HA2 -0.200 3.760 3.960 0.000 0.000 0.248 1593 G HA3 -0.200 3.760 3.960 0.000 0.000 0.248 1593 G C -0.253 174.551 174.900 -0.161 0.000 1.340 1593 G CA -0.394 44.615 45.100 -0.150 0.000 0.896 1593 G HN 0.379 nan 8.290 nan 0.000 0.570 1599 D N -0.208 120.184 120.400 -0.013 0.000 2.402 1599 D HA 0.251 4.891 4.640 0.000 0.000 0.216 1599 D C -0.233 176.059 176.300 -0.013 0.000 1.128 1599 D CA 0.034 54.019 54.000 -0.025 0.000 0.833 1599 D CB 0.261 41.025 40.800 -0.061 0.000 0.971 1599 D HN 0.421 nan 8.370 nan 0.000 0.503 1600 L N 0.761 121.984 121.223 0.001 0.000 2.342 1600 L HA 0.602 4.942 4.340 0.000 0.000 0.271 1600 L C -0.174 176.733 176.870 0.061 0.000 1.008 1600 L CA -1.406 53.437 54.840 0.005 0.000 0.818 1600 L CB 2.278 44.311 42.059 -0.044 0.000 1.296 1600 L HN -0.143 nan 8.230 nan 0.000 0.427 1601 V N -1.167 118.781 119.914 0.056 0.000 2.876 1601 V HA 0.771 4.891 4.120 0.000 0.000 0.312 1601 V C -1.102 175.008 176.094 0.026 0.000 1.085 1601 V CA -0.557 61.728 62.300 -0.026 0.000 0.945 1601 V CB 1.635 33.363 31.823 -0.158 0.000 1.017 1601 V HN 0.977 nan 8.190 nan 0.000 0.428 1602 H N 0.856 119.904 119.070 -0.038 0.000 2.980 1602 H HA 1.005 5.561 4.556 0.000 0.000 0.367 1602 H C -0.350 174.956 175.328 -0.037 0.000 1.206 1602 H CA -0.197 55.840 56.048 -0.019 0.000 1.126 1602 H CB 1.974 31.750 29.762 0.025 0.000 1.838 1602 H HN 1.373 nan 8.280 nan 0.000 0.552 1603 G N 0.396 109.254 108.800 0.096 0.000 2.506 1603 G HA2 0.375 4.335 3.960 0.000 0.000 0.292 1603 G HA3 0.375 4.335 3.960 0.000 0.000 0.292 1603 G C -1.863 173.041 174.900 0.007 0.000 1.425 1603 G CA -0.979 44.132 45.100 0.017 0.000 0.788 1603 G HN 0.667 nan 8.290 nan 0.000 0.490 1604 D N -0.585 119.796 120.400 -0.031 0.000 2.217 1604 D HA 0.603 5.243 4.640 0.000 0.000 0.248 1604 D C -0.386 175.769 176.300 -0.242 0.000 1.008 1604 D CA -0.240 53.659 54.000 -0.168 0.000 0.914 1604 D CB 2.270 43.044 40.800 -0.043 0.000 1.182 1604 D HN 0.247 nan 8.370 nan 0.000 0.451 1605 V N 1.267 120.949 119.914 -0.386 0.000 2.525 1605 V HA 0.324 4.444 4.120 0.000 0.000 0.299 1605 V C -0.243 175.739 176.094 -0.187 0.000 1.034 1605 V CA -0.870 61.295 62.300 -0.226 0.000 0.863 1605 V CB 2.077 33.810 31.823 -0.150 0.000 0.999 1605 V HN 0.303 nan 8.190 nan 0.000 0.423 1606 V N 6.239 126.142 119.914 -0.019 0.000 2.581 1606 V HA 0.733 4.853 4.120 0.000 0.000 0.303 1606 V C -0.633 175.509 176.094 0.080 0.000 1.041 1606 V CA -0.250 62.124 62.300 0.123 0.000 0.907 1606 V CB 2.263 34.018 31.823 -0.114 0.000 0.994 1606 V HN 0.653 nan 8.190 nan 0.000 0.442 1607 V N 7.449 127.436 119.914 0.123 0.000 2.448 1607 V HA 0.563 4.683 4.120 0.000 0.000 0.295 1607 V C -0.288 175.878 176.094 0.120 0.000 1.025 1607 V CA -0.486 61.873 62.300 0.098 0.000 0.859 1607 V CB 1.435 33.294 31.823 0.060 0.000 0.988 1607 V HN 0.739 nan 8.190 nan 0.000 0.431 1608 L N 3.132 124.438 121.223 0.139 0.000 2.323 1608 L HA 0.713 5.053 4.340 0.000 0.000 0.265 1608 L C -0.883 176.118 176.870 0.218 0.000 1.012 1608 L CA -0.607 54.326 54.840 0.155 0.000 0.820 1608 L CB 2.286 44.417 42.059 0.119 0.000 1.334 1608 L HN 0.569 nan 8.230 nan 0.000 0.427 1609 D N 0.793 121.302 120.400 0.182 0.000 2.400 1609 D HA 0.486 5.126 4.640 0.000 0.000 0.272 1609 D C 0.489 176.819 176.300 0.050 0.000 1.220 1609 D CA 0.667 54.739 54.000 0.118 0.000 0.897 1609 D CB 0.803 41.709 40.800 0.177 0.000 1.134 1609 D HN 0.740 nan 8.370 nan 0.000 0.507 1610 G N 3.625 112.442 108.800 0.029 0.000 2.595 1610 G HA2 -0.320 3.640 3.960 0.000 0.000 0.297 1610 G HA3 -0.320 3.640 3.960 0.000 0.000 0.297 1610 G C 0.743 175.669 174.900 0.043 0.000 1.181 1610 G CA 0.298 45.410 45.100 0.021 0.000 0.963 1610 G HN 0.445 nan 8.290 nan 0.000 0.541 1611 E N 1.547 121.769 120.200 0.036 0.000 2.474 1611 E HA 0.145 4.495 4.350 0.000 0.000 0.195 1611 E C 0.788 177.417 176.600 0.049 0.000 1.039 1611 E CA 0.326 56.750 56.400 0.041 0.000 0.881 1611 E CB 0.345 30.060 29.700 0.024 0.000 0.970 1611 E HN 0.531 nan 8.360 nan 0.000 0.486 1612 Q N 0.836 120.671 119.800 0.058 0.000 2.243 1612 Q HA 0.261 4.601 4.340 0.000 0.000 0.252 1612 Q C 0.254 176.308 176.000 0.090 0.000 0.909 1612 Q CA -0.492 55.350 55.803 0.065 0.000 0.922 1612 Q CB 1.759 30.541 28.738 0.074 0.000 1.215 1612 Q HN 0.049 nan 8.270 nan 0.000 0.427 1613 I N 3.177 123.788 120.570 0.067 0.000 2.396 1613 I HA -0.017 4.153 4.170 0.000 0.000 0.289 1613 I C 1.211 177.434 176.117 0.177 0.000 1.056 1613 I CA 0.208 61.562 61.300 0.091 0.000 1.365 1613 I CB 0.881 38.868 38.000 -0.021 0.000 1.407 1613 I HN 0.414 nan 8.210 nan 0.000 0.509 1614 V N 5.977 126.017 119.914 0.210 0.000 2.788 1614 V HA 0.365 4.485 4.120 0.000 0.000 0.241 1614 V C 0.691 176.883 176.094 0.163 0.000 1.083 1614 V CA 0.899 63.308 62.300 0.182 0.000 1.103 1614 V CB 0.503 32.376 31.823 0.084 0.000 0.800 1614 V HN 0.875 nan 8.190 nan 0.000 0.476 1615 A N -0.845 122.080 122.820 0.175 0.000 2.601 1615 A HA 0.767 5.087 4.320 0.000 0.000 0.291 1615 A C -2.145 175.584 177.584 0.243 0.000 1.075 1615 A CA -0.324 51.725 52.037 0.020 0.000 0.671 1615 A CB 1.896 20.863 19.000 -0.055 0.000 1.277 1615 A HN 0.107 nan 8.150 nan 0.000 0.417 1616 F N -0.035 119.875 119.950 -0.067 0.000 2.605 1616 F HA 0.693 5.220 4.527 0.000 0.000 0.320 1616 F C -2.093 173.715 175.800 0.013 0.000 1.159 1616 F CA -0.889 57.145 58.000 0.057 0.000 0.999 1616 F CB 1.366 40.469 39.000 0.172 0.000 1.258 1616 F HN 0.464 nan 8.300 nan 0.000 0.464 1617 F N 5.494 125.160 119.950 -0.474 0.000 2.415 1617 F HA 0.559 5.086 4.527 0.000 0.000 0.348 1617 F C 0.086 175.495 175.800 -0.651 0.000 1.119 1617 F CA -0.480 57.274 58.000 -0.410 0.000 1.069 1617 F CB 1.435 40.155 39.000 -0.465 0.000 1.124 1617 F HN 0.363 nan 8.300 nan 0.000 0.472 1618 R N 1.908 122.390 120.500 -0.030 0.000 2.343 1618 R HA 0.508 4.848 4.340 0.000 0.000 0.320 1618 R C 0.400 176.805 176.300 0.174 0.000 0.956 1618 R CA -0.046 56.098 56.100 0.074 0.000 0.836 1618 R CB 1.173 31.670 30.300 0.329 0.000 1.151 1618 R HN 0.888 nan 8.270 nan 0.000 0.450 1619 G N 3.962 112.851 108.800 0.148 0.000 2.256 1619 G HA2 -0.265 3.695 3.960 0.000 0.000 0.272 1619 G HA3 -0.265 3.695 3.960 0.000 0.000 0.272 1619 G C -0.325 174.699 174.900 0.207 0.000 1.076 1619 G CA 0.137 45.337 45.100 0.166 0.000 0.882 1619 G HN 0.514 nan 8.290 nan 0.000 0.497 1620 L N 1.373 122.684 121.223 0.146 0.000 2.499 1620 L HA 0.597 4.937 4.340 0.000 0.000 0.273 1620 L C 0.532 177.480 176.870 0.131 0.000 1.195 1620 L CA 0.658 55.563 54.840 0.108 0.000 0.882 1620 L CB 0.682 42.646 42.059 -0.158 0.000 1.133 1620 L HN 0.192 nan 8.230 nan 0.000 0.483 1621 T N 6.297 120.957 114.554 0.178 0.000 2.807 1621 T HA 0.682 5.032 4.350 0.000 0.000 0.279 1621 T C -0.698 174.097 174.700 0.157 0.000 0.993 1621 T CA -0.392 61.813 62.100 0.175 0.000 0.970 1621 T CB 1.176 70.180 68.868 0.226 0.000 0.950 1621 T HN 0.333 nan 8.240 nan 0.000 0.441 1622 L N 2.414 123.699 121.223 0.102 0.000 2.354 1622 L HA 0.666 5.006 4.340 0.000 0.000 0.269 1622 L C 0.088 177.028 176.870 0.118 0.000 1.005 1622 L CA -0.736 54.178 54.840 0.123 0.000 0.819 1622 L CB 1.851 43.965 42.059 0.091 0.000 1.311 1622 L HN 0.467 nan 8.230 nan 0.000 0.423 1623 R N 0.619 121.177 120.500 0.098 0.000 2.562 1623 R HA 0.599 4.939 4.340 0.000 0.000 0.298 1623 R C -0.780 175.498 176.300 -0.037 0.000 0.961 1623 R CA -0.393 55.695 56.100 -0.019 0.000 0.881 1623 R CB 1.818 32.005 30.300 -0.189 0.000 1.159 1623 R HN 0.664 nan 8.270 nan 0.000 0.450 1624 S N 3.477 119.076 115.700 -0.167 0.000 2.474 1624 S HA 0.369 4.839 4.470 0.000 0.000 0.276 1624 S C -0.367 174.075 174.600 -0.263 0.000 1.227 1624 S CA -0.526 57.382 58.200 -0.485 0.000 1.050 1624 S CB 0.326 63.202 63.200 -0.540 0.000 0.939 1624 S HN 0.417 nan 8.310 nan 0.000 0.490 1625 V N 3.222 122.992 119.914 -0.241 0.000 2.962 1625 V HA 0.756 4.876 4.120 0.000 0.000 0.313 1625 V C -3.048 172.965 176.094 -0.134 0.000 1.099 1625 V CA -2.857 59.358 62.300 -0.141 0.000 0.971 1625 V CB 1.308 33.081 31.823 -0.085 0.000 1.028 1625 V HN 0.595 nan 8.190 nan 0.000 0.430 1626 P HA 0.321 nan 4.420 nan 0.000 0.268 1626 P C 0.261 177.519 177.300 -0.070 0.000 1.204 1626 P CA -0.139 62.912 63.100 -0.082 0.000 0.768 1626 P CB 0.862 32.526 31.700 -0.060 0.000 0.842 1627 R N 3.735 124.194 120.500 -0.068 0.000 2.081 1627 R HA -0.100 4.240 4.340 0.000 0.000 0.235 1627 R C 2.187 178.461 176.300 -0.043 0.000 1.131 1627 R CA 2.453 58.520 56.100 -0.055 0.000 0.960 1627 R CB -1.444 28.826 30.300 -0.051 0.000 0.856 1627 R HN 0.632 nan 8.270 nan 0.000 0.436 1628 G N -0.471 108.306 108.800 -0.039 0.000 2.402 1628 G HA2 -0.209 3.751 3.960 0.000 0.000 0.216 1628 G HA3 -0.209 3.751 3.960 0.000 0.000 0.216 1628 G C 1.573 176.456 174.900 -0.029 0.000 1.162 1628 G CA 0.762 45.844 45.100 -0.031 0.000 0.777 1628 G HN 0.491 nan 8.290 nan 0.000 0.539 1629 A N 0.459 123.259 122.820 -0.032 0.000 1.940 1629 A HA 0.022 4.342 4.320 0.000 0.000 0.219 1629 A C 2.352 179.920 177.584 -0.027 0.000 1.176 1629 A CA 1.736 53.755 52.037 -0.029 0.000 0.631 1629 A CB -0.442 18.539 19.000 -0.032 0.000 0.814 1629 A HN 0.460 nan 8.150 nan 0.000 0.446 1630 L N 0.007 121.211 121.223 -0.032 0.000 1.989 1630 L HA -0.167 4.173 4.340 0.000 0.000 0.211 1630 L C 2.457 179.312 176.870 -0.025 0.000 1.071 1630 L CA 2.601 57.424 54.840 -0.029 0.000 0.749 1630 L CB -0.688 41.350 42.059 -0.035 0.000 0.890 1630 L HN 0.492 nan 8.230 nan 0.000 0.431 1631 R N -0.851 119.632 120.500 -0.027 0.000 2.080 1631 R HA -0.163 4.177 4.340 0.000 0.000 0.236 1631 R C 2.090 178.379 176.300 -0.020 0.000 1.137 1631 R CA 2.329 58.415 56.100 -0.024 0.000 0.943 1631 R CB -0.541 29.745 30.300 -0.024 0.000 0.846 1631 R HN 0.359 nan 8.270 nan 0.000 0.431 1632 V N 0.535 120.438 119.914 -0.018 0.000 2.324 1632 V HA -0.255 3.865 4.120 0.000 0.000 0.250 1632 V C 2.441 178.527 176.094 -0.013 0.000 1.060 1632 V CA 1.835 64.126 62.300 -0.015 0.000 1.042 1632 V CB -0.340 31.474 31.823 -0.015 0.000 0.650 1632 V HN 0.239 nan 8.190 nan 0.000 0.450 1633 V N -0.534 119.372 119.914 -0.013 0.000 2.295 1633 V HA -0.211 3.909 4.120 0.000 0.000 0.246 1633 V C 2.373 178.462 176.094 -0.008 0.000 1.049 1633 V CA 1.552 63.846 62.300 -0.010 0.000 1.024 1633 V CB -0.569 31.248 31.823 -0.009 0.000 0.648 1633 V HN 0.371 nan 8.190 nan 0.000 0.447 1634 L N -0.104 121.112 121.223 -0.012 0.000 2.083 1634 L HA -0.181 4.159 4.340 0.000 0.000 0.209 1634 L C 2.576 179.440 176.870 -0.010 0.000 1.083 1634 L CA 1.919 56.752 54.840 -0.012 0.000 0.752 1634 L CB -1.448 40.598 42.059 -0.021 0.000 0.899 1634 L HN 0.489 nan 8.230 nan 0.000 0.433 1635 Q N -1.079 118.714 119.800 -0.011 0.000 2.291 1635 Q HA -0.072 4.268 4.340 0.000 0.000 0.205 1635 Q C 0.779 176.776 176.000 -0.004 0.000 0.970 1635 Q CA 0.652 56.450 55.803 -0.009 0.000 0.876 1635 Q CB -0.123 28.608 28.738 -0.010 0.000 0.935 1635 Q HN 0.462 nan 8.270 nan 0.000 0.455 1636 T N 0.000 114.552 114.554 -0.003 0.000 3.816 1636 T HA 0.000 4.350 4.350 0.000 0.000 0.228 1636 T CA 0.000 62.100 62.100 -0.000 0.000 1.349 1636 T CB 0.000 68.866 68.868 -0.003 0.000 0.612 1636 T HN 0.000 nan 8.240 nan 0.000 0.658