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 3hrr_1_A DATA FIRST_RESID 1305 DATA SEQUENCE EIKTTTTLHR VVEETTKPLG ATLVVETDIS RKDVNGLARG HLVDGIPLCT DATA SEQUENCE PSFYADIAMQ VGQYSMQRLR XXXXXXXXXX GLVDVSDMVV DKALVPHGKG DATA SEQUENCE PQLLRTTLTM EWPPKAAATT RSAKVKFATY FXXXKLDTEH ASCTVRFTSD DATA SEQUENCE AQLKSLRRSV SEYKTHIRQL HDGHAKGQFM RYNRKTGYKL MSSMARFNPD DATA SEQUENCE YMLLDYLVLN EAENEAASGV DFSLGSSEGT FAAHPAHVDA ITQVAGFAMN DATA SEQUENCE ANDNVDIEKQ VYVNHGWDSF QIYQPLDNSK SYQVYTKMGQ AXXNDLVHGD 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 0.000 176.590 176.600 -0.016 0.000 1.382 1305 E CA 0.000 56.479 56.400 0.131 0.000 0.976 1305 E CB 0.000 29.717 29.700 0.028 0.000 0.812 1306 I N 1.930 122.226 120.570 -0.457 0.000 2.598 1306 I HA 0.084 4.373 4.170 0.198 0.000 0.284 1306 I C 0.328 176.299 176.117 -0.243 0.000 1.140 1306 I CA -0.019 60.892 61.300 -0.649 0.000 1.420 1306 I CB 0.308 37.667 38.000 -1.068 0.000 1.387 1306 I HN 0.531 nan 8.210 nan 0.000 0.553 1307 K N 6.339 126.665 120.400 -0.124 0.000 2.416 1307 K HA 0.098 4.536 4.320 0.198 0.000 0.283 1307 K C -0.042 176.508 176.600 -0.083 0.000 1.037 1307 K CA -0.311 55.932 56.287 -0.073 0.000 0.995 1307 K CB 0.463 32.943 32.500 -0.034 0.000 0.938 1307 K HN 0.728 nan 8.250 nan 0.000 0.475 1308 T N 1.142 115.656 114.554 -0.067 0.000 2.899 1308 T HA 0.328 4.797 4.350 0.198 0.000 0.295 1308 T C 0.345 175.014 174.700 -0.052 0.000 1.033 1308 T CA -0.510 61.563 62.100 -0.045 0.000 1.084 1308 T CB 1.315 70.172 68.868 -0.018 0.000 0.979 1308 T HN 0.722 nan 8.240 nan 0.000 0.532 1309 T N -1.907 112.622 114.554 -0.041 0.000 2.681 1309 T HA 0.404 4.872 4.350 0.198 0.000 0.296 1309 T C 1.246 175.896 174.700 -0.084 0.000 1.157 1309 T CA -0.476 61.551 62.100 -0.122 0.000 1.025 1309 T CB 0.706 69.464 68.868 -0.184 0.000 1.441 1309 T HN 0.413 nan 8.240 nan 0.000 0.504 1310 T N 1.532 115.924 114.554 -0.270 0.000 2.803 1310 T HA -0.039 4.430 4.350 0.198 0.000 0.269 1310 T C 1.772 176.500 174.700 0.045 0.000 1.052 1310 T CA 2.127 64.133 62.100 -0.156 0.000 1.136 1310 T CB -0.719 67.866 68.868 -0.471 0.000 0.864 1310 T HN 0.947 nan 8.240 nan 0.000 0.467 1311 T N -1.125 113.344 114.554 -0.141 0.000 3.092 1311 T HA 0.494 4.962 4.350 0.198 0.000 0.258 1311 T C 0.110 174.645 174.700 -0.275 0.000 1.031 1311 T CA -0.350 61.606 62.100 -0.240 0.000 0.925 1311 T CB -0.026 68.582 68.868 -0.435 0.000 1.036 1311 T HN 0.257 nan 8.240 nan 0.000 0.544 1312 L N 1.225 122.336 121.223 -0.187 0.000 2.491 1312 L HA 0.478 4.937 4.340 0.198 0.000 0.267 1312 L C -0.038 176.843 176.870 0.020 0.000 0.971 1312 L CA -0.719 54.040 54.840 -0.134 0.000 0.857 1312 L CB 1.463 43.480 42.059 -0.071 0.000 1.226 1312 L HN 0.014 nan 8.230 nan 0.000 0.408 1313 H N 3.963 123.024 119.070 -0.015 0.000 2.506 1313 H HA 0.263 4.937 4.556 0.196 0.000 0.289 1313 H C 0.052 175.361 175.328 -0.031 0.000 1.009 1313 H CA 0.433 56.468 56.048 -0.022 0.000 1.303 1313 H CB 0.457 30.220 29.762 0.002 0.000 1.453 1313 H HN 0.583 nan 8.280 nan 0.000 0.526 1314 R N -0.916 119.635 120.500 0.086 0.000 2.690 1314 R HA 0.480 4.939 4.340 0.198 0.000 0.269 1314 R C -1.862 174.429 176.300 -0.015 0.000 1.037 1314 R CA -0.728 55.386 56.100 0.023 0.000 0.877 1314 R CB 1.185 31.504 30.300 0.031 0.000 1.255 1314 R HN -0.192 nan 8.270 nan 0.000 0.467 1315 V N 2.827 122.719 119.914 -0.037 0.000 2.461 1315 V HA 0.120 4.359 4.120 0.198 0.000 0.275 1315 V C 0.950 177.023 176.094 -0.035 0.000 1.047 1315 V CA -0.351 61.920 62.300 -0.049 0.000 0.955 1315 V CB 1.422 33.208 31.823 -0.062 0.000 0.988 1315 V HN 0.732 nan 8.190 nan 0.000 0.471 1316 V N 3.295 123.183 119.914 -0.042 0.000 2.685 1316 V HA 0.166 4.404 4.120 0.198 0.000 0.244 1316 V C 0.716 176.784 176.094 -0.042 0.000 1.054 1316 V CA 1.009 63.280 62.300 -0.048 0.000 1.076 1316 V CB 0.050 31.826 31.823 -0.078 0.000 0.725 1316 V HN 0.954 nan 8.190 nan 0.000 0.467 1317 E N -0.110 120.067 120.200 -0.038 0.000 2.352 1317 E HA 0.414 4.882 4.350 0.198 0.000 0.280 1317 E C -1.417 175.178 176.600 -0.008 0.000 0.930 1317 E CA -0.446 55.939 56.400 -0.025 0.000 0.765 1317 E CB 2.265 31.943 29.700 -0.037 0.000 1.219 1317 E HN 0.275 nan 8.360 nan 0.000 0.434 1318 E N 2.839 123.045 120.200 0.010 0.000 2.448 1318 E HA 0.212 4.681 4.350 0.198 0.000 0.288 1318 E C -1.812 174.813 176.600 0.042 0.000 0.936 1318 E CA -0.366 56.058 56.400 0.039 0.000 0.809 1318 E CB 1.323 31.060 29.700 0.060 0.000 1.408 1318 E HN 0.485 nan 8.360 nan 0.000 0.393 1319 T N 0.891 115.467 114.554 0.037 0.000 2.847 1319 T HA 0.466 4.935 4.350 0.198 0.000 0.291 1319 T C 0.075 174.802 174.700 0.045 0.000 0.998 1319 T CA -0.613 61.506 62.100 0.030 0.000 0.967 1319 T CB 1.373 70.243 68.868 0.004 0.000 0.954 1319 T HN 0.290 nan 8.240 nan 0.000 0.441 1320 T N 1.172 115.770 114.554 0.073 0.000 2.928 1320 T HA 0.714 5.183 4.350 0.198 0.000 0.284 1320 T C -0.465 174.287 174.700 0.087 0.000 1.008 1320 T CA -0.768 61.403 62.100 0.118 0.000 1.057 1320 T CB 1.600 70.576 68.868 0.180 0.000 1.018 1320 T HN 0.865 nan 8.240 nan 0.000 0.493 1321 K N 1.606 122.067 120.400 0.103 0.000 2.533 1321 K HA 0.470 4.908 4.320 0.198 0.000 0.272 1321 K C -1.887 174.792 176.600 0.132 0.000 0.985 1321 K CA -2.232 54.082 56.287 0.046 0.000 0.876 1321 K CB 1.879 34.341 32.500 -0.064 0.000 1.452 1321 K HN 0.353 nan 8.250 nan 0.000 0.439 1322 P HA -0.150 nan 4.420 nan 0.000 0.214 1322 P C 0.728 178.129 177.300 0.168 0.000 1.163 1322 P CA 1.424 64.617 63.100 0.155 0.000 0.889 1322 P CB 0.182 31.928 31.700 0.078 0.000 0.790 1323 L N -1.655 119.524 121.223 -0.073 0.000 2.791 1323 L HA 0.473 4.932 4.340 0.198 0.000 0.239 1323 L C 1.081 177.489 176.870 -0.769 0.000 1.203 1323 L CA -0.139 54.542 54.840 -0.266 0.000 1.002 1323 L CB -0.086 41.891 42.059 -0.136 0.000 1.295 1323 L HN 0.158 nan 8.230 nan 0.000 0.504 1324 G N -0.029 108.063 108.800 -1.180 0.000 2.352 1324 G HA2 0.488 4.566 3.960 0.198 0.000 0.283 1324 G HA3 0.488 4.566 3.960 0.198 0.000 0.283 1324 G C -2.101 172.273 174.900 -0.878 0.000 1.308 1324 G CA -0.045 44.125 45.100 -1.549 0.000 0.892 1324 G HN 0.153 nan 8.290 nan 0.000 0.504 1325 A N -1.306 121.167 122.820 -0.577 0.000 2.589 1325 A HA 0.901 5.340 4.320 0.198 0.000 0.296 1325 A C -0.620 176.904 177.584 -0.099 0.000 1.062 1325 A CA 0.150 52.080 52.037 -0.178 0.000 0.686 1325 A CB 1.744 20.776 19.000 0.053 0.000 1.282 1325 A HN 1.438 nan 8.150 nan 0.000 0.404 1326 T N 1.480 116.010 114.554 -0.040 0.000 2.824 1326 T HA 0.599 5.068 4.350 0.198 0.000 0.282 1326 T C -1.222 173.486 174.700 0.013 0.000 0.993 1326 T CA -0.202 61.882 62.100 -0.026 0.000 0.967 1326 T CB 1.100 69.942 68.868 -0.045 0.000 0.960 1326 T HN 1.036 nan 8.240 nan 0.000 0.441 1327 L N 4.634 125.870 121.223 0.022 0.000 2.404 1327 L HA 0.770 5.229 4.340 0.198 0.000 0.272 1327 L C -1.489 175.377 176.870 -0.006 0.000 0.980 1327 L CA -0.537 54.325 54.840 0.037 0.000 0.836 1327 L CB 1.464 43.587 42.059 0.107 0.000 1.238 1327 L HN 0.436 nan 8.230 nan 0.000 0.408 1328 V N 5.896 125.793 119.914 -0.027 0.000 2.409 1328 V HA 0.685 4.923 4.120 0.198 0.000 0.291 1328 V C -0.063 176.000 176.094 -0.052 0.000 1.020 1328 V CA -0.427 61.840 62.300 -0.055 0.000 0.848 1328 V CB 1.605 33.379 31.823 -0.082 0.000 0.990 1328 V HN 0.679 nan 8.190 nan 0.000 0.430 1329 V N 1.793 121.680 119.914 -0.045 0.000 3.019 1329 V HA 0.840 5.078 4.120 0.198 0.000 0.317 1329 V C -0.612 175.470 176.094 -0.021 0.000 1.094 1329 V CA -0.662 61.616 62.300 -0.036 0.000 1.000 1329 V CB 2.123 33.926 31.823 -0.033 0.000 1.060 1329 V HN 0.926 nan 8.190 nan 0.000 0.443 1330 E N 0.289 120.483 120.200 -0.011 0.000 2.314 1330 E HA 0.680 5.149 4.350 0.198 0.000 0.272 1330 E C -1.477 175.116 176.600 -0.011 0.000 0.884 1330 E CA -0.612 55.792 56.400 0.006 0.000 0.753 1330 E CB 2.503 32.209 29.700 0.010 0.000 1.213 1330 E HN 0.914 nan 8.360 nan 0.000 0.432 1331 T N 2.953 117.494 114.554 -0.021 0.000 2.890 1331 T HA 0.132 4.601 4.350 0.198 0.000 0.295 1331 T C -1.260 173.442 174.700 0.003 0.000 0.993 1331 T CA -0.756 61.223 62.100 -0.201 0.000 0.979 1331 T CB 1.082 69.830 68.868 -0.201 0.000 0.967 1331 T HN 0.367 nan 8.240 nan 0.000 0.441 1332 D N 3.354 123.877 120.400 0.204 0.000 2.374 1332 D HA 0.107 4.866 4.640 0.198 0.000 0.240 1332 D C 1.531 177.941 176.300 0.183 0.000 1.229 1332 D CA -0.874 53.249 54.000 0.205 0.000 0.895 1332 D CB 0.412 41.350 40.800 0.230 0.000 1.046 1332 D HN 0.666 nan 8.370 nan 0.000 0.498 1333 I N 0.595 121.199 120.570 0.055 0.000 3.176 1333 I HA -0.088 4.201 4.170 0.198 0.000 0.275 1333 I C 1.091 177.200 176.117 -0.014 0.000 1.298 1333 I CA 0.298 61.596 61.300 -0.003 0.000 1.445 1333 I CB 0.034 37.918 38.000 -0.195 0.000 1.075 1333 I HN 0.028 nan 8.210 nan 0.000 0.482 1334 S N 0.664 116.368 115.700 0.006 0.000 2.489 1334 S HA 0.058 4.647 4.470 0.198 0.000 0.228 1334 S C 1.077 175.712 174.600 0.057 0.000 0.995 1334 S CA -0.083 58.131 58.200 0.022 0.000 0.934 1334 S CB -0.407 62.821 63.200 0.046 0.000 0.771 1334 S HN 0.460 nan 8.310 nan 0.000 0.522 1335 R N 1.787 122.342 120.500 0.092 0.000 2.640 1335 R HA 0.006 4.465 4.340 0.198 0.000 0.270 1335 R C 1.350 177.681 176.300 0.053 0.000 1.024 1335 R CA 0.114 56.249 56.100 0.059 0.000 1.085 1335 R CB 0.355 30.664 30.300 0.015 0.000 0.963 1335 R HN -0.111 nan 8.270 nan 0.000 0.426 1336 K N 2.439 122.853 120.400 0.024 0.000 2.209 1336 K HA -0.156 4.283 4.320 0.198 0.000 0.204 1336 K C 0.993 177.619 176.600 0.043 0.000 1.048 1336 K CA 2.130 58.435 56.287 0.031 0.000 0.940 1336 K CB 0.023 32.534 32.500 0.018 0.000 0.729 1336 K HN 0.739 nan 8.250 nan 0.000 0.451 1337 D N -0.889 119.532 120.400 0.036 0.000 2.312 1337 D HA -0.099 4.659 4.640 0.198 0.000 0.211 1337 D C 1.575 177.943 176.300 0.113 0.000 0.964 1337 D CA 0.578 54.610 54.000 0.054 0.000 0.877 1337 D CB -0.105 40.702 40.800 0.011 0.000 0.924 1337 D HN 0.124 nan 8.370 nan 0.000 0.515 1338 V N -0.077 119.924 119.914 0.145 0.000 3.612 1338 V HA 0.071 4.310 4.120 0.198 0.000 0.268 1338 V C 1.762 177.959 176.094 0.172 0.000 1.365 1338 V CA 0.413 62.845 62.300 0.219 0.000 1.044 1338 V CB -0.211 31.807 31.823 0.326 0.000 0.820 1338 V HN 0.007 nan 8.190 nan 0.000 0.444 1339 N N 1.149 119.911 118.700 0.102 0.000 2.120 1339 N HA -0.057 4.802 4.740 0.198 0.000 0.188 1339 N C 1.855 177.379 175.510 0.024 0.000 1.024 1339 N CA 1.979 55.050 53.050 0.036 0.000 0.852 1339 N CB -0.448 38.051 38.487 0.020 0.000 1.003 1339 N HN 0.436 nan 8.380 nan 0.000 0.424 1340 G N 0.572 109.408 108.800 0.060 0.000 2.476 1340 G HA2 -0.234 3.844 3.960 0.198 0.000 0.218 1340 G HA3 -0.234 3.844 3.960 0.198 0.000 0.218 1340 G C 1.343 176.301 174.900 0.096 0.000 1.164 1340 G CA 0.805 45.945 45.100 0.066 0.000 0.768 1340 G HN 0.291 nan 8.290 nan 0.000 0.560 1341 L N 1.337 122.662 121.223 0.170 0.000 2.083 1341 L HA 0.131 4.589 4.340 0.198 0.000 0.209 1341 L C 3.195 180.201 176.870 0.227 0.000 1.083 1341 L CA 1.684 56.689 54.840 0.275 0.000 0.752 1341 L CB -1.002 41.234 42.059 0.295 0.000 0.899 1341 L HN 0.297 nan 8.230 nan 0.000 0.433 1342 A N -0.789 122.077 122.820 0.077 0.000 2.019 1342 A HA -0.140 4.299 4.320 0.198 0.000 0.219 1342 A C 1.574 178.964 177.584 -0.323 0.000 1.164 1342 A CA 0.747 52.614 52.037 -0.283 0.000 0.644 1342 A CB -0.465 18.260 19.000 -0.459 0.000 0.805 1342 A HN 0.390 nan 8.150 nan 0.000 0.449 1343 R N 0.184 120.558 120.500 -0.211 0.000 3.657 1343 R HA 0.268 4.727 4.340 0.198 0.000 0.220 1343 R C 1.372 177.456 176.300 -0.361 0.000 1.548 1343 R CA 0.237 56.188 56.100 -0.249 0.000 1.465 1343 R CB 0.036 30.244 30.300 -0.153 0.000 1.330 1343 R HN 0.374 nan 8.270 nan 0.000 0.707 1344 G N 0.048 108.490 108.800 -0.596 0.000 2.396 1344 G HA2 -0.104 3.975 3.960 0.198 0.000 0.214 1344 G HA3 -0.104 3.975 3.960 0.198 0.000 0.214 1344 G C 0.338 174.837 174.900 -0.667 0.000 1.166 1344 G CA 0.317 44.690 45.100 -1.212 0.000 0.793 1344 G HN 0.453 nan 8.290 nan 0.000 0.533 1345 H N -1.992 116.776 119.070 -0.503 0.000 2.771 1345 H HA 0.659 5.322 4.556 0.179 0.000 0.367 1345 H C -1.617 173.492 175.328 -0.365 0.000 1.172 1345 H CA -1.011 54.736 56.048 -0.502 0.000 1.186 1345 H CB 2.830 32.310 29.762 -0.470 0.000 1.790 1345 H HN 0.081 nan 8.280 nan 0.000 0.556 1346 L N 2.125 123.216 121.223 -0.220 0.000 2.441 1346 L HA 0.371 4.829 4.340 0.198 0.000 0.270 1346 L C -1.600 175.180 176.870 -0.150 0.000 0.973 1346 L CA -0.526 54.220 54.840 -0.156 0.000 0.842 1346 L CB 1.574 43.557 42.059 -0.127 0.000 1.239 1346 L HN 0.376 nan 8.230 nan 0.000 0.406 1347 V N 4.065 123.914 119.914 -0.109 0.000 2.444 1347 V HA 0.407 4.646 4.120 0.198 0.000 0.294 1347 V C -0.563 175.494 176.094 -0.061 0.000 1.022 1347 V CA -0.725 61.521 62.300 -0.090 0.000 0.850 1347 V CB 1.491 33.265 31.823 -0.081 0.000 0.992 1347 V HN 0.823 nan 8.190 nan 0.000 0.426 1348 D N 4.293 124.663 120.400 -0.051 0.000 2.689 1348 D HA -0.201 4.558 4.640 0.198 0.000 0.237 1348 D C 1.390 177.670 176.300 -0.033 0.000 1.148 1348 D CA 1.519 55.498 54.000 -0.036 0.000 0.656 1348 D CB -0.968 39.813 40.800 -0.031 0.000 1.050 1348 D HN 1.415 nan 8.370 nan 0.000 0.426 1349 G N -0.664 108.114 108.800 -0.037 0.000 2.196 1349 G HA2 -0.355 3.724 3.960 0.198 0.000 0.268 1349 G HA3 -0.355 3.724 3.960 0.198 0.000 0.268 1349 G C 0.442 175.320 174.900 -0.037 0.000 0.975 1349 G CA 0.558 45.638 45.100 -0.033 0.000 0.648 1349 G HN 0.572 nan 8.290 nan 0.000 0.538 1350 I N 3.092 123.636 120.570 -0.044 0.000 2.304 1350 I HA 0.320 4.609 4.170 0.198 0.000 0.291 1350 I C -1.671 174.405 176.117 -0.069 0.000 1.018 1350 I CA -2.450 58.823 61.300 -0.045 0.000 1.260 1350 I CB 1.595 39.573 38.000 -0.036 0.000 1.390 1350 I HN -0.100 nan 8.210 nan 0.000 0.475 1351 P HA 0.290 nan 4.420 nan 0.000 0.275 1351 P C -1.073 176.140 177.300 -0.145 0.000 1.228 1351 P CA -0.177 62.853 63.100 -0.117 0.000 0.786 1351 P CB 1.119 32.751 31.700 -0.113 0.000 0.927 1352 L N 1.894 123.000 121.223 -0.195 0.000 2.408 1352 L HA 0.380 4.838 4.340 0.198 0.000 0.268 1352 L C 0.248 176.907 176.870 -0.351 0.000 0.986 1352 L CA -0.984 53.719 54.840 -0.228 0.000 0.820 1352 L CB 2.250 44.209 42.059 -0.166 0.000 1.303 1352 L HN 0.414 nan 8.230 nan 0.000 0.411 1353 C N 2.323 121.385 119.300 -0.398 0.000 2.637 1353 C HA 0.446 5.025 4.460 0.198 0.000 0.418 1353 C C 1.098 175.797 174.990 -0.484 0.000 1.319 1353 C CA -0.301 58.396 59.018 -0.535 0.000 1.949 1353 C CB 0.047 27.376 27.740 -0.685 0.000 2.639 1353 C HN 0.852 nan 8.230 nan 0.000 0.594 1354 T N 4.239 118.516 114.554 -0.461 0.000 2.922 1354 T HA 0.353 4.822 4.350 0.198 0.000 0.285 1354 T C -1.770 172.755 174.700 -0.290 0.000 1.005 1354 T CA -1.358 60.528 62.100 -0.357 0.000 1.061 1354 T CB 1.186 69.873 68.868 -0.302 0.000 1.007 1354 T HN 0.495 nan 8.240 nan 0.000 0.502 1355 P HA -0.168 nan 4.420 nan 0.000 0.217 1355 P C 1.899 179.279 177.300 0.135 0.000 1.148 1355 P CA 1.432 64.569 63.100 0.060 0.000 0.828 1355 P CB -0.173 31.655 31.700 0.214 0.000 0.783 1356 S N -1.826 113.954 115.700 0.134 0.000 2.419 1356 S HA -0.215 4.374 4.470 0.198 0.000 0.235 1356 S C 1.853 176.462 174.600 0.014 0.000 1.019 1356 S CA 0.813 59.078 58.200 0.109 0.000 0.982 1356 S CB -1.743 61.485 63.200 0.047 0.000 0.789 1356 S HN 0.073 nan 8.310 nan 0.000 0.490 1357 F N 1.632 121.426 119.950 -0.260 0.000 2.113 1357 F HA -0.013 4.626 4.527 0.187 0.000 0.297 1357 F C 2.039 177.661 175.800 -0.298 0.000 1.103 1357 F CA 1.271 59.075 58.000 -0.328 0.000 1.248 1357 F CB -0.315 38.384 39.000 -0.501 0.000 0.999 1357 F HN 0.115 nan 8.300 nan 0.000 0.475 1358 Y N 0.108 120.366 120.300 -0.071 0.000 2.242 1358 Y HA -0.086 4.588 4.550 0.207 0.000 0.291 1358 Y C 2.554 178.330 175.900 -0.206 0.000 1.137 1358 Y CA 0.634 58.403 58.100 -0.552 0.000 1.181 1358 Y CB -1.700 36.042 38.460 -1.196 0.000 0.989 1358 Y HN 0.118 nan 8.280 nan 0.000 0.527 1359 A N 0.099 123.027 122.820 0.179 0.000 1.933 1359 A HA -0.240 4.199 4.320 0.198 0.000 0.218 1359 A C 2.004 179.729 177.584 0.234 0.000 1.175 1359 A CA 1.992 54.240 52.037 0.352 0.000 0.628 1359 A CB -0.886 18.429 19.000 0.524 0.000 0.814 1359 A HN 0.438 nan 8.150 nan 0.000 0.444 1360 D N 0.107 120.555 120.400 0.080 0.000 2.097 1360 D HA -0.137 4.622 4.640 0.198 0.000 0.195 1360 D C 1.693 178.022 176.300 0.049 0.000 0.989 1360 D CA 1.596 55.602 54.000 0.009 0.000 0.827 1360 D CB -0.279 40.423 40.800 -0.162 0.000 0.966 1360 D HN 0.481 nan 8.370 nan 0.000 0.456 1361 I N 0.435 121.039 120.570 0.057 0.000 2.252 1361 I HA -0.192 4.097 4.170 0.198 0.000 0.245 1361 I C 2.548 178.814 176.117 0.249 0.000 1.102 1361 I CA 0.958 62.345 61.300 0.145 0.000 1.385 1361 I CB -0.352 37.793 38.000 0.242 0.000 1.064 1361 I HN 0.030 nan 8.210 nan 0.000 0.414 1362 A N 0.883 123.925 122.820 0.370 0.000 1.883 1362 A HA -0.230 4.209 4.320 0.198 0.000 0.217 1362 A C 2.373 180.103 177.584 0.244 0.000 1.186 1362 A CA 1.587 53.840 52.037 0.361 0.000 0.624 1362 A CB -0.496 18.787 19.000 0.472 0.000 0.822 1362 A HN 0.273 nan 8.150 nan 0.000 0.444 1363 M N -0.537 119.186 119.600 0.205 0.000 2.108 1363 M HA -0.203 4.396 4.480 0.198 0.000 0.261 1363 M C 2.276 178.656 176.300 0.134 0.000 1.066 1363 M CA 1.642 57.028 55.300 0.145 0.000 1.107 1363 M CB -1.411 31.244 32.600 0.092 0.000 1.356 1363 M HN 0.561 nan 8.290 nan 0.000 0.406 1364 Q N -0.321 119.552 119.800 0.122 0.000 2.046 1364 Q HA -0.120 4.338 4.340 0.198 0.000 0.200 1364 Q C 2.136 178.221 176.000 0.141 0.000 0.975 1364 Q CA 1.915 57.778 55.803 0.100 0.000 0.836 1364 Q CB -0.281 28.489 28.738 0.053 0.000 0.896 1364 Q HN 0.582 nan 8.270 nan 0.000 0.428 1365 V N -2.246 117.761 119.914 0.154 0.000 2.427 1365 V HA -0.027 4.211 4.120 0.198 0.000 0.248 1365 V C 2.030 178.277 176.094 0.255 0.000 1.051 1365 V CA 1.882 64.297 62.300 0.191 0.000 1.048 1365 V CB -1.484 30.423 31.823 0.139 0.000 0.666 1365 V HN 0.334 nan 8.190 nan 0.000 0.456 1366 G N -0.426 108.525 108.800 0.252 0.000 2.433 1366 G HA2 -0.263 3.816 3.960 0.198 0.000 0.216 1366 G HA3 -0.263 3.816 3.960 0.198 0.000 0.216 1366 G C 1.533 176.574 174.900 0.235 0.000 1.186 1366 G CA 1.049 46.361 45.100 0.353 0.000 0.779 1366 G HN 0.569 nan 8.290 nan 0.000 0.543 1367 Q N -1.027 118.869 119.800 0.161 0.000 2.096 1367 Q HA -0.164 4.294 4.340 0.198 0.000 0.204 1367 Q C 2.228 178.249 176.000 0.035 0.000 0.982 1367 Q CA 1.611 57.454 55.803 0.067 0.000 0.850 1367 Q CB -0.326 28.455 28.738 0.072 0.000 0.901 1367 Q HN 0.660 nan 8.270 nan 0.000 0.422 1368 Y N 0.796 121.091 120.300 -0.008 0.000 2.114 1368 Y HA -0.231 4.437 4.550 0.197 0.000 0.284 1368 Y C 2.382 178.253 175.900 -0.049 0.000 1.143 1368 Y CA 1.785 59.873 58.100 -0.021 0.000 1.135 1368 Y CB -0.422 38.041 38.460 0.006 0.000 0.980 1368 Y HN -0.041 nan 8.280 nan 0.000 0.499 1369 S N 0.686 116.318 115.700 -0.114 0.000 2.374 1369 S HA -0.298 4.291 4.470 0.198 0.000 0.227 1369 S C 2.124 176.482 174.600 -0.403 0.000 1.037 1369 S CA 1.823 59.903 58.200 -0.201 0.000 1.024 1369 S CB -0.550 62.720 63.200 0.118 0.000 0.861 1369 S HN 0.627 nan 8.310 nan 0.000 0.456 1370 M N 0.994 120.239 119.600 -0.590 0.000 2.132 1370 M HA -0.164 4.435 4.480 0.198 0.000 0.263 1370 M C 2.214 178.240 176.300 -0.457 0.000 1.065 1370 M CA 1.444 56.236 55.300 -0.846 0.000 1.122 1370 M CB -0.204 31.819 32.600 -0.961 0.000 1.365 1370 M HN 0.302 nan 8.290 nan 0.000 0.411 1371 Q N -0.101 119.499 119.800 -0.334 0.000 2.119 1371 Q HA -0.208 4.251 4.340 0.198 0.000 0.201 1371 Q C 1.799 177.640 176.000 -0.264 0.000 0.972 1371 Q CA 1.838 57.497 55.803 -0.240 0.000 0.847 1371 Q CB -0.146 28.500 28.738 -0.154 0.000 0.903 1371 Q HN 0.580 nan 8.270 nan 0.000 0.433 1372 R N -0.011 120.262 120.500 -0.378 0.000 2.276 1372 R HA -0.018 4.440 4.340 0.198 0.000 0.203 1372 R C 1.271 177.416 176.300 -0.258 0.000 1.017 1372 R CA 1.099 56.988 56.100 -0.351 0.000 1.010 1372 R CB -0.129 29.838 30.300 -0.556 0.000 0.900 1372 R HN 0.183 nan 8.270 nan 0.000 0.469 1373 L N -0.733 120.329 121.223 -0.269 0.000 2.609 1373 L HA 0.335 4.793 4.340 0.198 0.000 0.230 1373 L C 0.507 177.251 176.870 -0.210 0.000 1.087 1373 L CA -0.541 54.153 54.840 -0.243 0.000 0.874 1373 L CB -0.192 41.705 42.059 -0.269 0.000 1.114 1373 L HN 0.100 nan 8.230 nan 0.000 0.488 1386 L N 1.873 123.143 121.223 0.078 0.000 2.292 1386 L HA 0.592 5.051 4.340 0.198 0.000 0.284 1386 L C 0.101 177.039 176.870 0.113 0.000 1.065 1386 L CA -0.966 53.919 54.840 0.075 0.000 0.806 1386 L CB 1.972 44.089 42.059 0.095 0.000 1.175 1386 L HN -0.150 nan 8.230 nan 0.000 0.431 1387 V N 2.073 122.037 119.914 0.082 0.000 2.407 1387 V HA 0.228 4.467 4.120 0.198 0.000 0.278 1387 V C -0.253 175.848 176.094 0.013 0.000 1.037 1387 V CA -0.514 61.869 62.300 0.138 0.000 0.900 1387 V CB 1.549 33.467 31.823 0.158 0.000 0.983 1387 V HN 0.626 nan 8.190 nan 0.000 0.459 1388 D N 3.940 124.358 120.400 0.030 0.000 2.303 1388 D HA 0.272 5.031 4.640 0.198 0.000 0.236 1388 D C -0.530 175.822 176.300 0.086 0.000 1.068 1388 D CA -0.352 53.651 54.000 0.005 0.000 0.830 1388 D CB 2.098 42.920 40.800 0.036 0.000 1.109 1388 D HN 0.255 nan 8.370 nan 0.000 0.496 1389 V N 4.465 124.481 119.914 0.170 0.000 2.313 1389 V HA 0.187 4.425 4.120 0.198 0.000 0.252 1389 V C 0.733 177.115 176.094 0.479 0.000 1.112 1389 V CA -0.217 62.297 62.300 0.356 0.000 0.984 1389 V CB -0.087 32.063 31.823 0.545 0.000 1.157 1389 V HN 0.593 nan 8.190 nan 0.000 0.493 1390 S N 2.538 118.402 115.700 0.273 0.000 2.681 1390 S HA 0.502 5.090 4.470 0.198 0.000 0.299 1390 S C -0.009 174.658 174.600 0.112 0.000 1.113 1390 S CA -0.585 57.760 58.200 0.241 0.000 1.013 1390 S CB 1.567 64.851 63.200 0.140 0.000 1.076 1390 S HN 0.684 nan 8.310 nan 0.000 0.534 1391 D N -0.192 120.251 120.400 0.072 0.000 2.701 1391 D HA -0.158 4.601 4.640 0.198 0.000 0.235 1391 D C -0.363 175.846 176.300 -0.153 0.000 1.155 1391 D CA 1.000 54.982 54.000 -0.031 0.000 0.649 1391 D CB -1.416 39.376 40.800 -0.013 0.000 1.050 1391 D HN 0.663 nan 8.370 nan 0.000 0.425 1392 M N 0.449 119.824 119.600 -0.375 0.000 2.188 1392 M HA 0.281 4.880 4.480 0.198 0.000 0.354 1392 M C -0.935 175.046 176.300 -0.532 0.000 1.342 1392 M CA -0.197 54.742 55.300 -0.601 0.000 1.117 1392 M CB 1.097 32.808 32.600 -1.482 0.000 1.670 1392 M HN -0.084 nan 8.290 nan 0.000 0.466 1393 V N 6.537 126.222 119.914 -0.381 0.000 2.483 1393 V HA 0.467 4.705 4.120 0.198 0.000 0.297 1393 V C -0.895 175.002 176.094 -0.327 0.000 1.027 1393 V CA -0.850 61.216 62.300 -0.390 0.000 0.855 1393 V CB 1.824 33.499 31.823 -0.246 0.000 0.995 1393 V HN 0.637 nan 8.190 nan 0.000 0.424 1394 V N 3.991 123.689 119.914 -0.362 0.000 2.333 1394 V HA 0.280 4.519 4.120 0.198 0.000 0.274 1394 V C 0.629 176.676 176.094 -0.079 0.000 1.028 1394 V CA -0.050 62.148 62.300 -0.171 0.000 0.851 1394 V CB 1.270 33.048 31.823 -0.075 0.000 1.000 1394 V HN 0.955 nan 8.190 nan 0.000 0.456 1395 D N 3.626 124.000 120.400 -0.043 0.000 2.338 1395 D HA 0.126 4.884 4.640 0.198 0.000 0.224 1395 D C 0.567 176.884 176.300 0.030 0.000 0.967 1395 D CA 1.007 55.010 54.000 0.004 0.000 0.896 1395 D CB 0.535 41.318 40.800 -0.029 0.000 1.028 1395 D HN 0.515 nan 8.370 nan 0.000 0.493 1396 K N 0.065 120.491 120.400 0.044 0.000 2.427 1396 K HA 0.671 5.109 4.320 0.198 0.000 0.252 1396 K C -1.012 175.709 176.600 0.202 0.000 0.931 1396 K CA -0.928 55.405 56.287 0.075 0.000 0.793 1396 K CB 2.369 34.860 32.500 -0.014 0.000 1.211 1396 K HN 0.037 nan 8.250 nan 0.000 0.426 1397 A N 2.258 125.159 122.820 0.135 0.000 2.561 1397 A HA 0.109 4.548 4.320 0.198 0.000 0.234 1397 A C -0.523 177.142 177.584 0.134 0.000 1.055 1397 A CA 0.113 52.209 52.037 0.100 0.000 0.756 1397 A CB -0.051 18.971 19.000 0.037 0.000 0.986 1397 A HN 0.547 nan 8.150 nan 0.000 0.505 1398 L N 3.699 124.883 121.223 -0.066 0.000 2.325 1398 L HA 0.596 5.054 4.340 0.198 0.000 0.281 1398 L C -0.734 176.009 176.870 -0.212 0.000 1.004 1398 L CA -0.202 54.471 54.840 -0.279 0.000 0.823 1398 L CB 1.712 43.381 42.059 -0.649 0.000 1.236 1398 L HN 0.343 nan 8.230 nan 0.000 0.415 1399 V N 7.319 127.151 119.914 -0.137 0.000 2.311 1399 V HA 0.423 4.661 4.120 0.198 0.000 0.275 1399 V C -2.108 173.886 176.094 -0.166 0.000 1.022 1399 V CA -1.310 60.920 62.300 -0.118 0.000 0.830 1399 V CB 1.090 32.896 31.823 -0.028 0.000 1.012 1399 V HN 0.711 nan 8.190 nan 0.000 0.452 1400 P HA 0.214 nan 4.420 nan 0.000 0.273 1400 P C 0.344 177.527 177.300 -0.196 0.000 1.428 1400 P CA -0.221 62.701 63.100 -0.296 0.000 0.995 1400 P CB 0.163 31.686 31.700 -0.295 0.000 1.286 1401 H N 1.756 120.797 119.070 -0.048 0.000 2.457 1401 H HA 0.058 4.734 4.556 0.200 0.000 0.294 1401 H C 1.465 176.785 175.328 -0.013 0.000 1.064 1401 H CA 0.818 56.853 56.048 -0.022 0.000 1.330 1401 H CB -1.001 28.762 29.762 0.003 0.000 1.395 1401 H HN 0.447 nan 8.280 nan 0.000 0.541 1402 G N 0.375 109.237 108.800 0.103 0.000 2.198 1402 G HA2 -0.345 3.734 3.960 0.198 0.000 0.260 1402 G HA3 -0.345 3.734 3.960 0.198 0.000 0.260 1402 G C -0.135 174.886 174.900 0.201 0.000 1.025 1402 G CA 0.443 45.612 45.100 0.115 0.000 0.769 1402 G HN 0.597 nan 8.290 nan 0.000 0.507 1403 K N 0.355 120.997 120.400 0.404 0.000 2.606 1403 K HA 0.556 4.994 4.320 0.198 0.000 0.196 1403 K C 0.761 177.451 176.600 0.150 0.000 1.048 1403 K CA 0.006 56.393 56.287 0.166 0.000 1.017 1403 K CB 0.959 33.454 32.500 -0.008 0.000 1.413 1403 K HN 1.448 nan 8.250 nan 0.000 0.568 1404 G N 2.501 111.390 108.800 0.149 0.000 2.756 1404 G HA2 -0.173 3.905 3.960 0.198 0.000 0.678 1404 G HA3 -0.173 3.905 3.960 0.198 0.000 0.678 1404 G C -2.928 172.090 174.900 0.196 0.000 1.349 1404 G CA -1.385 43.798 45.100 0.139 0.000 0.847 1404 G HN 0.209 nan 8.290 nan 0.000 0.548 1405 P HA 0.293 nan 4.420 nan 0.000 0.266 1405 P C -0.347 177.064 177.300 0.185 0.000 1.195 1405 P CA 0.395 63.582 63.100 0.146 0.000 0.768 1405 P CB 0.750 32.527 31.700 0.128 0.000 0.838 1406 Q N 2.665 122.526 119.800 0.101 0.000 2.414 1406 Q HA 0.353 4.811 4.340 0.198 0.000 0.256 1406 Q C -1.519 174.500 176.000 0.033 0.000 0.974 1406 Q CA -0.356 55.472 55.803 0.042 0.000 0.723 1406 Q CB 0.419 29.034 28.738 -0.206 0.000 1.281 1406 Q HN 0.384 nan 8.270 nan 0.000 0.470 1407 L N 4.666 125.935 121.223 0.077 0.000 2.259 1407 L HA 0.363 4.822 4.340 0.198 0.000 0.288 1407 L C -0.429 176.516 176.870 0.124 0.000 1.051 1407 L CA -0.826 54.073 54.840 0.099 0.000 0.824 1407 L CB 0.748 42.876 42.059 0.116 0.000 1.206 1407 L HN 0.507 nan 8.230 nan 0.000 0.429 1408 L N 4.930 126.220 121.223 0.112 0.000 2.278 1408 L HA 0.324 4.783 4.340 0.198 0.000 0.287 1408 L C 0.139 177.114 176.870 0.175 0.000 1.072 1408 L CA 0.151 55.096 54.840 0.175 0.000 0.819 1408 L CB 0.677 42.848 42.059 0.186 0.000 1.176 1408 L HN 0.509 nan 8.230 nan 0.000 0.435 1409 R N 2.974 123.597 120.500 0.206 0.000 2.255 1409 R HA 0.522 4.981 4.340 0.198 0.000 0.326 1409 R C -0.948 175.411 176.300 0.099 0.000 0.986 1409 R CA -0.243 55.913 56.100 0.093 0.000 0.847 1409 R CB 0.894 31.188 30.300 -0.009 0.000 1.111 1409 R HN 0.726 nan 8.270 nan 0.000 0.452 1410 T N 3.498 118.072 114.554 0.033 0.000 2.772 1410 T HA 0.265 4.733 4.350 0.198 0.000 0.288 1410 T C -0.736 173.882 174.700 -0.137 0.000 0.994 1410 T CA -0.392 61.655 62.100 -0.088 0.000 0.951 1410 T CB 1.508 70.381 68.868 0.009 0.000 0.933 1410 T HN 0.485 nan 8.240 nan 0.000 0.447 1411 T N 4.444 118.877 114.554 -0.201 0.000 2.772 1411 T HA 0.505 4.974 4.350 0.198 0.000 0.288 1411 T C -0.378 174.229 174.700 -0.155 0.000 0.994 1411 T CA -0.545 61.471 62.100 -0.140 0.000 0.951 1411 T CB 0.611 69.416 68.868 -0.105 0.000 0.933 1411 T HN 0.421 nan 8.240 nan 0.000 0.447 1412 L N 4.604 125.775 121.223 -0.087 0.000 2.307 1412 L HA 0.753 5.211 4.340 0.198 0.000 0.284 1412 L C -0.061 176.794 176.870 -0.025 0.000 1.023 1412 L CA -0.285 54.527 54.840 -0.047 0.000 0.810 1412 L CB 1.228 43.302 42.059 0.025 0.000 1.231 1412 L HN 0.732 nan 8.230 nan 0.000 0.423 1413 T N 2.293 116.826 114.554 -0.034 0.000 2.861 1413 T HA 0.664 5.133 4.350 0.198 0.000 0.287 1413 T C -0.501 174.179 174.700 -0.034 0.000 1.003 1413 T CA -0.749 61.322 62.100 -0.047 0.000 0.977 1413 T CB 1.622 70.446 68.868 -0.073 0.000 0.996 1413 T HN 0.599 nan 8.240 nan 0.000 0.448 1414 M N 1.855 121.413 119.600 -0.070 0.000 2.530 1414 M HA 0.543 5.141 4.480 0.198 0.000 0.307 1414 M C -0.743 175.377 176.300 -0.299 0.000 1.161 1414 M CA -0.556 54.708 55.300 -0.059 0.000 0.903 1414 M CB 2.764 35.448 32.600 0.140 0.000 1.711 1414 M HN 0.736 nan 8.290 nan 0.000 0.451 1415 E N 1.287 121.366 120.200 -0.201 0.000 2.317 1415 E HA 0.641 5.110 4.350 0.198 0.000 0.270 1415 E C -1.936 174.631 176.600 -0.055 0.000 0.885 1415 E CA -0.590 55.624 56.400 -0.309 0.000 0.760 1415 E CB 2.714 32.321 29.700 -0.155 0.000 1.227 1415 E HN 0.602 nan 8.360 nan 0.000 0.434 1416 W N 0.395 121.703 121.300 0.014 0.000 2.937 1416 W HA 0.530 5.308 4.660 0.196 0.000 0.360 1416 W C -3.211 173.314 176.519 0.010 0.000 1.215 1416 W CA -1.885 55.469 57.345 0.015 0.000 1.183 1416 W CB -1.033 28.439 29.460 0.020 0.000 1.458 1416 W HN 0.209 nan 8.180 nan 0.000 0.574 1417 P HA 0.347 nan 4.420 nan 0.000 0.276 1417 P C -2.451 175.020 177.300 0.284 0.000 1.244 1417 P CA -1.326 61.913 63.100 0.232 0.000 0.801 1417 P CB 0.161 31.941 31.700 0.134 0.000 1.006 1418 P HA -0.073 nan 4.420 nan 0.000 0.256 1418 P C 0.365 177.714 177.300 0.082 0.000 1.173 1418 P CA 0.840 64.028 63.100 0.147 0.000 0.768 1418 P CB -0.131 31.621 31.700 0.087 0.000 0.758 1419 K N 2.760 123.189 120.400 0.048 0.000 3.512 1419 K HA -0.226 4.212 4.320 0.198 0.000 0.309 1419 K C 0.319 176.853 176.600 -0.110 0.000 1.350 1419 K CA 1.212 57.476 56.287 -0.037 0.000 0.960 1419 K CB -1.904 30.589 32.500 -0.012 0.000 1.290 1419 K HN 0.400 nan 8.250 nan 0.000 0.454 1420 A N -0.172 122.567 122.820 -0.136 0.000 2.503 1420 A HA 0.682 5.120 4.320 0.198 0.000 0.263 1420 A C 1.849 179.221 177.584 -0.354 0.000 1.258 1420 A CA 0.597 52.541 52.037 -0.155 0.000 0.936 1420 A CB 0.125 19.109 19.000 -0.026 0.000 1.070 1420 A HN 0.628 nan 8.150 nan 0.000 0.522 1421 A N 0.415 122.751 122.820 -0.807 0.000 1.958 1421 A HA -0.021 4.417 4.320 0.198 0.000 0.221 1421 A C 2.318 179.469 177.584 -0.722 0.000 1.178 1421 A CA 2.137 53.273 52.037 -1.502 0.000 0.642 1421 A CB -0.734 17.074 19.000 -1.986 0.000 0.816 1421 A HN 1.240 nan 8.150 nan 0.000 0.453 1422 A N -0.618 121.937 122.820 -0.442 0.000 2.121 1422 A HA -0.002 4.437 4.320 0.198 0.000 0.218 1422 A C 2.156 179.649 177.584 -0.151 0.000 1.154 1422 A CA 2.045 53.923 52.037 -0.263 0.000 0.679 1422 A CB -1.072 17.809 19.000 -0.199 0.000 0.795 1422 A HN 0.857 nan 8.150 nan 0.000 0.458 1423 T N -3.120 111.362 114.554 -0.119 0.000 3.129 1423 T HA 0.103 4.572 4.350 0.198 0.000 0.251 1423 T C 0.590 175.317 174.700 0.045 0.000 1.117 1423 T CA 0.585 62.669 62.100 -0.027 0.000 1.034 1423 T CB -0.663 68.198 68.868 -0.011 0.000 0.968 1423 T HN 0.192 nan 8.240 nan 0.000 0.526 1424 T N 2.515 117.108 114.554 0.065 0.000 2.870 1424 T HA 0.326 4.795 4.350 0.198 0.000 0.300 1424 T C 0.797 175.687 174.700 0.316 0.000 0.989 1424 T CA -0.287 61.937 62.100 0.207 0.000 1.139 1424 T CB 1.182 70.242 68.868 0.319 0.000 0.920 1424 T HN 0.180 nan 8.240 nan 0.000 0.537 1425 R N 1.207 121.841 120.500 0.223 0.000 2.476 1425 R HA 0.243 4.702 4.340 0.198 0.000 0.276 1425 R C 0.224 176.400 176.300 -0.206 0.000 0.941 1425 R CA -0.084 56.115 56.100 0.165 0.000 1.088 1425 R CB 0.620 30.976 30.300 0.094 0.000 1.216 1425 R HN 0.765 nan 8.270 nan 0.000 0.533 1426 S N -1.799 113.769 115.700 -0.220 0.000 2.596 1426 S HA 0.859 5.448 4.470 0.198 0.000 0.270 1426 S C -1.388 173.091 174.600 -0.203 0.000 1.155 1426 S CA -0.635 57.318 58.200 -0.412 0.000 0.827 1426 S CB 2.123 65.201 63.200 -0.203 0.000 1.130 1426 S HN 0.005 nan 8.310 nan 0.000 0.467 1427 A N 1.231 123.934 122.820 -0.194 0.000 2.520 1427 A HA 0.765 5.203 4.320 0.198 0.000 0.298 1427 A C -1.187 176.366 177.584 -0.051 0.000 1.051 1427 A CA -0.918 51.098 52.037 -0.035 0.000 0.690 1427 A CB 1.364 20.413 19.000 0.081 0.000 1.281 1427 A HN 0.631 nan 8.150 nan 0.000 0.402 1428 K N 1.315 121.689 120.400 -0.044 0.000 2.276 1428 K HA 0.513 4.951 4.320 0.198 0.000 0.283 1428 K C -0.744 175.803 176.600 -0.087 0.000 1.044 1428 K CA -0.189 56.061 56.287 -0.061 0.000 0.944 1428 K CB 1.529 33.991 32.500 -0.063 0.000 1.012 1428 K HN 0.428 nan 8.250 nan 0.000 0.472 1429 V N 3.433 123.273 119.914 -0.123 0.000 2.540 1429 V HA 0.393 4.632 4.120 0.198 0.000 0.302 1429 V C -0.191 175.672 176.094 -0.385 0.000 1.035 1429 V CA -0.928 61.215 62.300 -0.262 0.000 0.873 1429 V CB 1.865 33.532 31.823 -0.259 0.000 0.992 1429 V HN 0.615 nan 8.190 nan 0.000 0.428 1430 K N 3.476 123.577 120.400 -0.499 0.000 2.375 1430 K HA 0.717 5.156 4.320 0.198 0.000 0.249 1430 K C -1.759 174.485 176.600 -0.593 0.000 0.942 1430 K CA -0.510 55.530 56.287 -0.412 0.000 0.806 1430 K CB 2.548 34.935 32.500 -0.189 0.000 1.227 1430 K HN 0.505 nan 8.250 nan 0.000 0.430 1431 F N 1.302 121.196 119.950 -0.094 0.000 2.460 1431 F HA 0.558 5.208 4.527 0.205 0.000 0.341 1431 F C -0.108 175.688 175.800 -0.007 0.000 1.130 1431 F CA -0.716 57.239 58.000 -0.075 0.000 0.962 1431 F CB 2.060 40.867 39.000 -0.321 0.000 1.171 1431 F HN 0.472 nan 8.300 nan 0.000 0.436 1432 A N 1.460 124.428 122.820 0.247 0.000 2.486 1432 A HA 0.761 5.199 4.320 0.198 0.000 0.300 1432 A C -0.454 177.282 177.584 0.253 0.000 1.048 1432 A CA -0.841 51.297 52.037 0.168 0.000 0.696 1432 A CB 1.101 20.134 19.000 0.055 0.000 1.278 1432 A HN 0.634 nan 8.150 nan 0.000 0.405 1433 T N -0.438 114.210 114.554 0.157 0.000 2.909 1433 T HA 0.688 5.156 4.350 0.198 0.000 0.286 1433 T C -0.599 173.993 174.700 -0.181 0.000 1.002 1433 T CA -0.108 62.053 62.100 0.102 0.000 1.074 1433 T CB 0.546 69.472 68.868 0.097 0.000 0.984 1433 T HN 0.418 nan 8.240 nan 0.000 0.495 1434 Y N 0.036 120.246 120.300 -0.149 0.000 2.499 1434 Y HA 0.573 5.241 4.550 0.196 0.000 0.347 1434 Y C 0.090 175.877 175.900 -0.188 0.000 0.987 1434 Y CA -1.528 56.460 58.100 -0.187 0.000 1.044 1434 Y CB 1.575 40.009 38.460 -0.044 0.000 1.245 1434 Y HN 0.613 nan 8.280 nan 0.000 0.461 1440 L N 4.021 125.234 121.223 -0.017 0.000 2.559 1440 L HA 0.094 4.552 4.340 0.198 0.000 0.274 1440 L C 0.747 177.365 176.870 -0.420 0.000 1.205 1440 L CA 0.908 55.409 54.840 -0.564 0.000 0.907 1440 L CB 1.047 42.871 42.059 -0.392 0.000 1.153 1440 L HN 0.399 nan 8.230 nan 0.000 0.490 1441 D N 2.093 122.066 120.400 -0.711 0.000 2.805 1441 D HA 0.156 4.915 4.640 0.198 0.000 0.271 1441 D C -0.324 175.752 176.300 -0.374 0.000 1.166 1441 D CA 0.818 54.399 54.000 -0.698 0.000 1.004 1441 D CB 0.750 40.923 40.800 -1.044 0.000 1.136 1441 D HN 0.605 nan 8.370 nan 0.000 0.444 1442 T N 0.188 114.492 114.554 -0.417 0.000 2.923 1442 T HA 0.376 4.845 4.350 0.198 0.000 0.311 1442 T C -1.238 173.094 174.700 -0.613 0.000 1.183 1442 T CA -0.755 61.061 62.100 -0.474 0.000 1.020 1442 T CB 2.297 70.854 68.868 -0.519 0.000 1.165 1442 T HN -0.070 nan 8.240 nan 0.000 0.482 1443 E N 1.112 121.019 120.200 -0.487 0.000 2.130 1443 E HA 0.289 4.758 4.350 0.198 0.000 0.284 1443 E C -0.010 176.344 176.600 -0.411 0.000 1.018 1443 E CA -0.307 55.877 56.400 -0.360 0.000 0.817 1443 E CB 1.189 30.767 29.700 -0.203 0.000 1.078 1443 E HN 0.663 nan 8.360 nan 0.000 0.396 1444 H N 1.662 120.674 119.070 -0.096 0.000 2.439 1444 H HA 0.291 4.967 4.556 0.200 0.000 0.299 1444 H C 0.243 175.449 175.328 -0.203 0.000 1.033 1444 H CA 0.764 56.732 56.048 -0.133 0.000 1.348 1444 H CB 0.716 30.398 29.762 -0.133 0.000 1.449 1444 H HN 0.537 nan 8.280 nan 0.000 0.544 1445 A N -0.162 122.587 122.820 -0.119 0.000 2.586 1445 A HA 0.640 5.078 4.320 0.198 0.000 0.290 1445 A C -1.156 176.458 177.584 0.051 0.000 1.086 1445 A CA -0.147 51.793 52.037 -0.161 0.000 0.665 1445 A CB 1.140 19.800 19.000 -0.566 0.000 1.279 1445 A HN 0.277 nan 8.150 nan 0.000 0.423 1446 S N -1.306 114.417 115.700 0.039 0.000 2.570 1446 S HA 0.839 5.427 4.470 0.198 0.000 0.270 1446 S C -0.407 174.219 174.600 0.044 0.000 1.149 1446 S CA -0.193 58.038 58.200 0.052 0.000 0.837 1446 S CB 0.834 64.006 63.200 -0.047 0.000 1.124 1446 S HN 2.629 nan 8.310 nan 0.000 0.465 1447 C N -0.498 118.836 119.300 0.057 0.000 3.320 1447 C HA 0.907 5.485 4.460 0.198 0.000 0.335 1447 C C -0.718 174.281 174.990 0.015 0.000 1.430 1447 C CA -0.537 58.504 59.018 0.037 0.000 1.271 1447 C CB 0.866 28.685 27.740 0.132 0.000 1.609 1447 C HN 0.954 nan 8.230 nan 0.000 0.457 1448 T N 2.125 116.688 114.554 0.015 0.000 2.809 1448 T HA 0.571 5.039 4.350 0.198 0.000 0.296 1448 T C 0.101 174.798 174.700 -0.006 0.000 1.015 1448 T CA -0.280 61.812 62.100 -0.014 0.000 0.954 1448 T CB 0.923 69.773 68.868 -0.030 0.000 0.950 1448 T HN 1.477 nan 8.240 nan 0.000 0.450 1449 V N 2.813 122.706 119.914 -0.035 0.000 2.583 1449 V HA 0.638 4.877 4.120 0.198 0.000 0.287 1449 V C -0.051 175.846 176.094 -0.328 0.000 1.051 1449 V CA -0.763 61.494 62.300 -0.073 0.000 1.010 1449 V CB 0.452 32.292 31.823 0.029 0.000 0.988 1449 V HN 0.747 nan 8.190 nan 0.000 0.478 1450 R N 3.588 123.913 120.500 -0.292 0.000 2.599 1450 R HA 0.612 5.070 4.340 0.198 0.000 0.295 1450 R C -1.604 174.530 176.300 -0.277 0.000 0.963 1450 R CA -0.529 55.339 56.100 -0.387 0.000 0.883 1450 R CB 1.994 32.216 30.300 -0.131 0.000 1.171 1450 R HN 0.695 nan 8.270 nan 0.000 0.450 1451 F N 1.072 121.047 119.950 0.043 0.000 2.334 1451 F HA 0.294 4.938 4.527 0.196 0.000 0.365 1451 F C 0.918 176.737 175.800 0.031 0.000 1.124 1451 F CA -0.619 57.399 58.000 0.030 0.000 1.166 1451 F CB 1.078 40.092 39.000 0.022 0.000 1.355 1451 F HN 0.293 nan 8.300 nan 0.000 0.532 1452 T N 1.218 115.871 114.554 0.164 0.000 2.948 1452 T HA 0.605 5.073 4.350 0.198 0.000 0.285 1452 T C 0.241 174.998 174.700 0.096 0.000 1.019 1452 T CA -0.524 61.638 62.100 0.103 0.000 1.013 1452 T CB 0.931 69.850 68.868 0.084 0.000 1.117 1452 T HN 0.593 nan 8.240 nan 0.000 0.533 1453 S N 1.053 116.799 115.700 0.076 0.000 2.655 1453 S HA 0.269 4.858 4.470 0.198 0.000 0.265 1453 S C 0.463 175.100 174.600 0.061 0.000 1.240 1453 S CA -0.375 57.861 58.200 0.059 0.000 0.986 1453 S CB 0.647 63.873 63.200 0.044 0.000 0.985 1453 S HN 0.822 nan 8.310 nan 0.000 0.562 1454 D N -0.823 119.599 120.400 0.036 0.000 2.342 1454 D HA 0.248 5.007 4.640 0.198 0.000 0.221 1454 D C 1.490 177.777 176.300 -0.022 0.000 1.101 1454 D CA 0.259 54.267 54.000 0.013 0.000 0.837 1454 D CB -0.411 40.387 40.800 -0.004 0.000 0.938 1454 D HN 0.514 nan 8.370 nan 0.000 0.508 1455 A N 0.796 123.615 122.820 -0.001 0.000 1.908 1455 A HA -0.286 4.153 4.320 0.198 0.000 0.218 1455 A C 2.210 179.774 177.584 -0.033 0.000 1.181 1455 A CA 1.840 53.869 52.037 -0.013 0.000 0.627 1455 A CB -0.766 18.237 19.000 0.006 0.000 0.818 1455 A HN 0.364 nan 8.150 nan 0.000 0.445 1456 Q N -0.925 118.867 119.800 -0.013 0.000 2.050 1456 Q HA -0.195 4.263 4.340 0.198 0.000 0.202 1456 Q C 2.008 177.915 176.000 -0.156 0.000 0.980 1456 Q CA 1.759 57.538 55.803 -0.041 0.000 0.840 1456 Q CB -0.302 28.462 28.738 0.043 0.000 0.898 1456 Q HN 0.515 nan 8.270 nan 0.000 0.424 1457 L N 1.319 122.401 121.223 -0.235 0.000 2.013 1457 L HA -0.240 4.219 4.340 0.198 0.000 0.212 1457 L C 1.942 178.629 176.870 -0.304 0.000 1.073 1457 L CA 2.041 56.569 54.840 -0.520 0.000 0.753 1457 L CB -0.439 41.240 42.059 -0.632 0.000 0.890 1457 L HN 0.138 nan 8.230 nan 0.000 0.432 1458 K N -1.228 119.065 120.400 -0.179 0.000 2.097 1458 K HA -0.148 4.290 4.320 0.198 0.000 0.206 1458 K C 2.341 178.881 176.600 -0.101 0.000 1.049 1458 K CA 1.415 57.631 56.287 -0.118 0.000 0.933 1458 K CB -0.348 32.107 32.500 -0.075 0.000 0.717 1458 K HN 0.412 nan 8.250 nan 0.000 0.442 1459 S N 1.176 116.817 115.700 -0.099 0.000 2.356 1459 S HA -0.074 4.515 4.470 0.198 0.000 0.223 1459 S C 1.936 176.485 174.600 -0.086 0.000 1.032 1459 S CA 0.892 59.045 58.200 -0.079 0.000 1.005 1459 S CB -0.189 62.972 63.200 -0.066 0.000 0.867 1459 S HN 0.186 nan 8.310 nan 0.000 0.449 1460 L N 0.782 121.923 121.223 -0.138 0.000 2.042 1460 L HA -0.092 4.366 4.340 0.198 0.000 0.210 1460 L C 2.874 179.732 176.870 -0.020 0.000 1.076 1460 L CA 1.412 56.197 54.840 -0.092 0.000 0.749 1460 L CB -0.475 41.445 42.059 -0.232 0.000 0.893 1460 L HN 0.276 nan 8.230 nan 0.000 0.432 1461 R N -0.295 120.157 120.500 -0.080 0.000 2.120 1461 R HA -0.134 4.325 4.340 0.198 0.000 0.234 1461 R C 2.375 178.663 176.300 -0.022 0.000 1.123 1461 R CA 1.149 57.221 56.100 -0.047 0.000 0.975 1461 R CB -0.222 30.032 30.300 -0.075 0.000 0.866 1461 R HN 0.345 nan 8.270 nan 0.000 0.446 1462 R N -0.385 120.095 120.500 -0.034 0.000 2.189 1462 R HA 0.032 4.491 4.340 0.198 0.000 0.218 1462 R C 1.603 177.880 176.300 -0.039 0.000 1.074 1462 R CA 1.032 57.112 56.100 -0.034 0.000 0.991 1462 R CB 0.173 30.449 30.300 -0.039 0.000 0.883 1462 R HN 0.068 nan 8.270 nan 0.000 0.457 1463 S N 0.123 115.803 115.700 -0.034 0.000 2.575 1463 S HA 0.030 4.618 4.470 0.198 0.000 0.215 1463 S C 1.814 176.395 174.600 -0.032 0.000 0.966 1463 S CA -0.048 58.088 58.200 -0.106 0.000 0.911 1463 S CB 0.381 63.444 63.200 -0.227 0.000 0.780 1463 S HN 0.020 nan 8.310 nan 0.000 0.514 1464 V N 2.806 122.772 119.914 0.087 0.000 2.250 1464 V HA -0.265 3.973 4.120 0.198 0.000 0.250 1464 V C 2.813 178.961 176.094 0.090 0.000 1.060 1464 V CA 2.344 64.739 62.300 0.159 0.000 1.030 1464 V CB -1.136 30.743 31.823 0.093 0.000 0.643 1464 V HN 0.744 nan 8.190 nan 0.000 0.445 1465 S N -0.591 115.117 115.700 0.012 0.000 2.400 1465 S HA -0.305 4.284 4.470 0.198 0.000 0.232 1465 S C 1.956 176.515 174.600 -0.069 0.000 1.025 1465 S CA 2.045 60.233 58.200 -0.020 0.000 0.993 1465 S CB -0.477 62.704 63.200 -0.033 0.000 0.808 1465 S HN 0.758 nan 8.310 nan 0.000 0.478 1466 E N -0.309 119.817 120.200 -0.123 0.000 2.047 1466 E HA -0.140 4.329 4.350 0.198 0.000 0.191 1466 E C 1.790 178.261 176.600 -0.215 0.000 0.987 1466 E CA 1.174 57.437 56.400 -0.228 0.000 0.799 1466 E CB -0.279 29.253 29.700 -0.280 0.000 0.752 1466 E HN 0.688 nan 8.360 nan 0.000 0.449 1467 Y N 1.314 121.597 120.300 -0.029 0.000 2.165 1467 Y HA -0.188 4.485 4.550 0.205 0.000 0.286 1467 Y C 2.342 178.166 175.900 -0.125 0.000 1.155 1467 Y CA 1.201 59.259 58.100 -0.070 0.000 1.164 1467 Y CB -0.192 38.283 38.460 0.025 0.000 0.978 1467 Y HN -0.038 nan 8.280 nan 0.000 0.513 1468 K N -0.675 119.780 120.400 0.093 0.000 2.147 1468 K HA -0.112 4.327 4.320 0.198 0.000 0.205 1468 K C 2.016 178.618 176.600 0.004 0.000 1.049 1468 K CA 1.575 57.896 56.287 0.056 0.000 0.936 1468 K CB -0.752 31.777 32.500 0.049 0.000 0.722 1468 K HN 0.303 nan 8.250 nan 0.000 0.446 1469 T N 0.116 114.625 114.554 -0.075 0.000 2.812 1469 T HA -0.085 4.384 4.350 0.198 0.000 0.264 1469 T C 1.645 176.270 174.700 -0.125 0.000 1.042 1469 T CA 1.156 63.185 62.100 -0.119 0.000 1.140 1469 T CB -0.206 68.544 68.868 -0.197 0.000 0.870 1469 T HN 0.392 nan 8.240 nan 0.000 0.445 1470 H N 0.365 119.352 119.070 -0.139 0.000 2.353 1470 H HA 0.042 4.717 4.556 0.197 0.000 0.300 1470 H C 2.158 177.429 175.328 -0.095 0.000 1.090 1470 H CA 1.324 57.259 56.048 -0.189 0.000 1.327 1470 H CB -0.161 29.267 29.762 -0.556 0.000 1.383 1470 H HN 0.262 nan 8.280 nan 0.000 0.508 1471 I N 0.176 120.764 120.570 0.030 0.000 2.179 1471 I HA -0.277 4.012 4.170 0.198 0.000 0.242 1471 I C 2.708 178.986 176.117 0.269 0.000 1.088 1471 I CA 1.212 62.614 61.300 0.170 0.000 1.357 1471 I CB -0.233 37.889 38.000 0.203 0.000 1.051 1471 I HN 0.199 nan 8.210 nan 0.000 0.409 1472 R N 0.860 121.483 120.500 0.204 0.000 2.096 1472 R HA -0.219 4.240 4.340 0.198 0.000 0.235 1472 R C 2.237 178.658 176.300 0.201 0.000 1.127 1472 R CA 1.634 57.858 56.100 0.206 0.000 0.968 1472 R CB -0.138 30.221 30.300 0.099 0.000 0.861 1472 R HN 0.448 nan 8.270 nan 0.000 0.440 1473 Q N 0.099 119.994 119.800 0.159 0.000 2.167 1473 Q HA -0.116 4.343 4.340 0.198 0.000 0.202 1473 Q C 2.188 178.357 176.000 0.283 0.000 0.970 1473 Q CA 1.253 57.167 55.803 0.186 0.000 0.855 1473 Q CB 0.036 28.868 28.738 0.158 0.000 0.911 1473 Q HN 0.383 nan 8.270 nan 0.000 0.438 1474 L N -0.408 120.955 121.223 0.233 0.000 2.056 1474 L HA -0.190 4.269 4.340 0.198 0.000 0.207 1474 L C 2.325 179.345 176.870 0.250 0.000 1.078 1474 L CA 0.947 55.916 54.840 0.215 0.000 0.749 1474 L CB -0.462 41.596 42.059 -0.002 0.000 0.901 1474 L HN 0.342 nan 8.230 nan 0.000 0.433 1475 H N -0.250 118.967 119.070 0.246 0.000 2.387 1475 H HA -0.146 4.526 4.556 0.194 0.000 0.299 1475 H C 1.775 177.215 175.328 0.187 0.000 1.090 1475 H CA 1.485 57.657 56.048 0.208 0.000 1.332 1475 H CB -0.076 29.760 29.762 0.124 0.000 1.386 1475 H HN 0.362 nan 8.280 nan 0.000 0.516 1476 D N 0.016 120.572 120.400 0.260 0.000 2.104 1476 D HA -0.106 4.653 4.640 0.198 0.000 0.194 1476 D C 2.419 178.765 176.300 0.076 0.000 0.994 1476 D CA 1.245 55.329 54.000 0.139 0.000 0.830 1476 D CB -0.656 40.211 40.800 0.113 0.000 0.959 1476 D HN 0.438 nan 8.370 nan 0.000 0.452 1477 G N -0.343 108.526 108.800 0.115 0.000 2.418 1477 G HA2 -0.312 3.767 3.960 0.198 0.000 0.217 1477 G HA3 -0.312 3.767 3.960 0.198 0.000 0.217 1477 G C 1.532 176.325 174.900 -0.178 0.000 1.158 1477 G CA 1.288 46.275 45.100 -0.188 0.000 0.771 1477 G HN 0.382 nan 8.290 nan 0.000 0.545 1478 H N 1.239 120.339 119.070 0.051 0.000 2.353 1478 H HA 0.155 4.832 4.556 0.202 0.000 0.300 1478 H C 2.536 177.859 175.328 -0.008 0.000 1.090 1478 H CA 1.739 57.813 56.048 0.043 0.000 1.327 1478 H CB -0.380 29.450 29.762 0.113 0.000 1.383 1478 H HN 0.260 nan 8.280 nan 0.000 0.508 1479 A N 0.487 123.198 122.820 -0.181 0.000 2.178 1479 A HA -0.102 4.337 4.320 0.198 0.000 0.218 1479 A C 1.852 179.318 177.584 -0.195 0.000 1.157 1479 A CA 1.460 53.368 52.037 -0.215 0.000 0.689 1479 A CB -0.249 18.723 19.000 -0.048 0.000 0.787 1479 A HN 0.559 nan 8.150 nan 0.000 0.465 1480 K N -1.550 118.738 120.400 -0.187 0.000 2.373 1480 K HA 0.300 4.739 4.320 0.198 0.000 0.202 1480 K C 0.869 177.357 176.600 -0.187 0.000 1.025 1480 K CA 0.373 56.561 56.287 -0.166 0.000 1.115 1480 K CB 0.280 32.690 32.500 -0.150 0.000 0.858 1480 K HN 0.547 nan 8.250 nan 0.000 0.525 1481 G N 2.197 110.861 108.800 -0.227 0.000 2.143 1481 G HA2 -0.321 3.757 3.960 0.198 0.000 0.248 1481 G HA3 -0.321 3.757 3.960 0.198 0.000 0.248 1481 G C 0.600 175.401 174.900 -0.165 0.000 0.991 1481 G CA 0.428 45.423 45.100 -0.176 0.000 0.689 1481 G HN 0.433 nan 8.290 nan 0.000 0.522 1482 Q N -1.551 118.080 119.800 -0.282 0.000 2.297 1482 Q HA 0.385 4.843 4.340 0.198 0.000 0.203 1482 Q C 0.244 176.063 176.000 -0.303 0.000 0.931 1482 Q CA 0.661 56.208 55.803 -0.426 0.000 0.885 1482 Q CB 0.542 28.769 28.738 -0.852 0.000 0.991 1482 Q HN 0.506 nan 8.270 nan 0.000 0.498 1483 F N -0.020 119.974 119.950 0.073 0.000 2.563 1483 F HA 0.423 5.070 4.527 0.199 0.000 0.316 1483 F C -0.000 175.863 175.800 0.105 0.000 1.076 1483 F CA -1.688 56.361 58.000 0.083 0.000 0.921 1483 F CB 1.016 40.067 39.000 0.085 0.000 1.209 1483 F HN -0.131 nan 8.300 nan 0.000 0.462 1484 M N 2.347 122.091 119.600 0.240 0.000 2.238 1484 M HA 0.247 4.846 4.480 0.198 0.000 0.347 1484 M C -0.021 176.206 176.300 -0.123 0.000 1.173 1484 M CA 0.217 55.515 55.300 -0.004 0.000 1.147 1484 M CB 0.576 33.104 32.600 -0.120 0.000 1.547 1484 M HN 0.615 nan 8.290 nan 0.000 0.455 1485 R N 2.820 123.116 120.500 -0.339 0.000 2.409 1485 R HA 0.392 4.850 4.340 0.198 0.000 0.313 1485 R C -1.898 174.170 176.300 -0.387 0.000 0.953 1485 R CA -0.393 55.462 56.100 -0.408 0.000 0.849 1485 R CB 1.003 30.793 30.300 -0.849 0.000 1.171 1485 R HN 0.526 nan 8.270 nan 0.000 0.458 1486 Y N 3.011 123.284 120.300 -0.045 0.000 2.335 1486 Y HA 0.256 4.925 4.550 0.197 0.000 0.339 1486 Y C 0.512 176.378 175.900 -0.056 0.000 0.987 1486 Y CA -0.610 57.463 58.100 -0.045 0.000 1.140 1486 Y CB 1.039 39.441 38.460 -0.096 0.000 1.173 1486 Y HN 0.459 nan 8.280 nan 0.000 0.486 1487 N N 2.826 121.589 118.700 0.106 0.000 2.416 1487 N HA 0.007 4.866 4.740 0.198 0.000 0.246 1487 N C 1.456 177.007 175.510 0.069 0.000 1.260 1487 N CA -0.025 53.078 53.050 0.089 0.000 0.897 1487 N CB 0.622 39.156 38.487 0.079 0.000 1.110 1487 N HN 0.736 nan 8.380 nan 0.000 0.439 1488 R N 2.135 122.670 120.500 0.059 0.000 2.168 1488 R HA -0.248 4.211 4.340 0.198 0.000 0.242 1488 R C 1.374 177.764 176.300 0.150 0.000 1.123 1488 R CA 2.070 58.212 56.100 0.071 0.000 0.928 1488 R CB -0.061 30.311 30.300 0.120 0.000 0.873 1488 R HN 0.529 nan 8.270 nan 0.000 0.434 1489 K N -0.980 119.514 120.400 0.156 0.000 2.097 1489 K HA -0.084 4.355 4.320 0.198 0.000 0.206 1489 K C 2.112 178.808 176.600 0.161 0.000 1.049 1489 K CA 1.894 58.287 56.287 0.177 0.000 0.933 1489 K CB -0.059 32.513 32.500 0.119 0.000 0.717 1489 K HN 0.343 nan 8.250 nan 0.000 0.442 1490 T N 0.284 114.920 114.554 0.137 0.000 2.777 1490 T HA -0.089 4.380 4.350 0.198 0.000 0.266 1490 T C 1.944 176.728 174.700 0.140 0.000 1.040 1490 T CA 1.366 63.565 62.100 0.164 0.000 1.141 1490 T CB -0.468 68.522 68.868 0.204 0.000 0.868 1490 T HN 0.458 nan 8.240 nan 0.000 0.444 1491 G N 0.319 109.133 108.800 0.023 0.000 2.476 1491 G HA2 -0.239 3.839 3.960 0.198 0.000 0.218 1491 G HA3 -0.239 3.839 3.960 0.198 0.000 0.218 1491 G C 1.229 176.036 174.900 -0.155 0.000 1.164 1491 G CA 0.724 45.678 45.100 -0.244 0.000 0.768 1491 G HN 0.487 nan 8.290 nan 0.000 0.560 1492 Y N 0.699 120.986 120.300 -0.021 0.000 2.293 1492 Y HA 0.007 4.653 4.550 0.161 0.000 0.291 1492 Y C 2.726 178.677 175.900 0.085 0.000 1.137 1492 Y CA 1.409 59.520 58.100 0.018 0.000 1.202 1492 Y CB -0.120 38.330 38.460 -0.018 0.000 0.990 1492 Y HN 0.166 nan 8.280 nan 0.000 0.537 1493 K N 0.232 120.749 120.400 0.195 0.000 2.057 1493 K HA -0.203 4.235 4.320 0.198 0.000 0.207 1493 K C 2.048 178.713 176.600 0.108 0.000 1.049 1493 K CA 1.216 57.590 56.287 0.145 0.000 0.931 1493 K CB -0.443 32.132 32.500 0.124 0.000 0.714 1493 K HN 0.236 nan 8.250 nan 0.000 0.440 1494 L N 1.018 122.290 121.223 0.082 0.000 2.081 1494 L HA -0.173 4.285 4.340 0.198 0.000 0.212 1494 L C 2.031 178.901 176.870 -0.001 0.000 1.080 1494 L CA 1.657 56.506 54.840 0.015 0.000 0.754 1494 L CB -0.204 41.803 42.059 -0.088 0.000 0.893 1494 L HN 0.290 nan 8.230 nan 0.000 0.433 1495 M N -1.352 118.286 119.600 0.064 0.000 2.541 1495 M HA 0.044 4.643 4.480 0.198 0.000 0.252 1495 M C 2.323 178.699 176.300 0.127 0.000 1.125 1495 M CA 1.037 56.393 55.300 0.094 0.000 1.091 1495 M CB -1.133 31.602 32.600 0.225 0.000 1.420 1495 M HN 0.523 nan 8.290 nan 0.000 0.486 1496 S N 0.125 115.906 115.700 0.134 0.000 2.442 1496 S HA -0.100 4.489 4.470 0.198 0.000 0.236 1496 S C 1.950 176.584 174.600 0.057 0.000 1.007 1496 S CA 1.409 59.681 58.200 0.121 0.000 0.965 1496 S CB -0.691 62.583 63.200 0.122 0.000 0.773 1496 S HN 0.563 nan 8.310 nan 0.000 0.504 1497 S N 1.109 116.830 115.700 0.035 0.000 2.461 1497 S HA 0.084 4.673 4.470 0.198 0.000 0.228 1497 S C 1.802 176.399 174.600 -0.005 0.000 1.005 1497 S CA 0.683 58.890 58.200 0.012 0.000 0.942 1497 S CB -0.477 62.727 63.200 0.006 0.000 0.776 1497 S HN 0.661 nan 8.310 nan 0.000 0.514 1498 M N 1.385 120.982 119.600 -0.004 0.000 2.276 1498 M HA 0.382 4.981 4.480 0.198 0.000 0.262 1498 M C 0.416 176.681 176.300 -0.058 0.000 1.098 1498 M CA 1.197 56.481 55.300 -0.027 0.000 1.167 1498 M CB 0.209 32.796 32.600 -0.022 0.000 1.337 1498 M HN 0.409 nan 8.290 nan 0.000 0.446 1499 A N 0.506 123.289 122.820 -0.062 0.000 2.549 1499 A HA 0.714 5.153 4.320 0.198 0.000 0.297 1499 A C -1.093 176.403 177.584 -0.147 0.000 1.061 1499 A CA -0.865 51.053 52.037 -0.199 0.000 0.690 1499 A CB 1.408 20.142 19.000 -0.445 0.000 1.287 1499 A HN 0.482 nan 8.150 nan 0.000 0.402 1500 R N -0.197 120.178 120.500 -0.208 0.000 2.758 1500 R HA 0.756 5.215 4.340 0.198 0.000 0.265 1500 R C -1.603 174.522 176.300 -0.291 0.000 1.016 1500 R CA -0.385 55.672 56.100 -0.071 0.000 1.040 1500 R CB 1.362 31.656 30.300 -0.009 0.000 1.152 1500 R HN 0.589 nan 8.270 nan 0.000 0.503 1501 F N 0.388 120.316 119.950 -0.037 0.000 2.520 1501 F HA 0.238 4.890 4.527 0.209 0.000 0.322 1501 F C 0.526 176.283 175.800 -0.072 0.000 1.103 1501 F CA -1.038 56.934 58.000 -0.047 0.000 0.926 1501 F CB 1.435 40.397 39.000 -0.062 0.000 1.154 1501 F HN 0.384 nan 8.300 nan 0.000 0.453 1502 N N 4.310 123.040 118.700 0.050 0.000 2.219 1502 N HA -0.065 4.793 4.740 0.198 0.000 0.263 1502 N C -1.837 173.760 175.510 0.145 0.000 1.269 1502 N CA -0.800 52.285 53.050 0.060 0.000 0.831 1502 N CB 1.037 39.517 38.487 -0.011 0.000 1.059 1502 N HN 0.249 nan 8.380 nan 0.000 0.475 1503 P HA -0.110 nan 4.420 nan 0.000 0.217 1503 P C 0.377 177.721 177.300 0.073 0.000 1.148 1503 P CA 1.120 64.243 63.100 0.037 0.000 0.828 1503 P CB 0.255 31.972 31.700 0.028 0.000 0.783 1504 D N -2.435 118.057 120.400 0.152 0.000 2.310 1504 D HA -0.108 4.651 4.640 0.198 0.000 0.212 1504 D C 1.109 177.468 176.300 0.098 0.000 0.965 1504 D CA 1.025 55.096 54.000 0.120 0.000 0.879 1504 D CB -0.340 40.548 40.800 0.147 0.000 0.921 1504 D HN 0.295 nan 8.370 nan 0.000 0.510 1505 Y N -0.346 119.976 120.300 0.037 0.000 2.462 1505 Y HA 0.259 4.989 4.550 0.300 0.000 0.261 1505 Y C 1.091 176.991 175.900 0.001 0.000 1.146 1505 Y CA 0.035 58.186 58.100 0.085 0.000 1.283 1505 Y CB 0.020 38.622 38.460 0.237 0.000 1.090 1505 Y HN -0.162 nan 8.280 nan 0.000 0.526 1506 M N 1.172 120.758 119.600 -0.023 0.000 3.422 1506 M HA 0.141 4.740 4.480 0.198 0.000 0.248 1506 M C 0.099 176.381 176.300 -0.030 0.000 1.433 1506 M CA 0.504 55.594 55.300 -0.351 0.000 1.592 1506 M CB -0.089 32.111 32.600 -0.666 0.000 1.078 1506 M HN 0.227 nan 8.290 nan 0.000 0.578 1507 L N 0.689 121.982 121.223 0.116 0.000 2.766 1507 L HA 0.238 4.697 4.340 0.198 0.000 0.242 1507 L C -0.165 176.755 176.870 0.083 0.000 1.136 1507 L CA -0.253 54.662 54.840 0.125 0.000 0.933 1507 L CB 0.320 42.506 42.059 0.211 0.000 1.241 1507 L HN 0.429 nan 8.230 nan 0.000 0.522 1508 L N 1.062 122.345 121.223 0.101 0.000 2.342 1508 L HA 0.046 4.504 4.340 0.198 0.000 0.285 1508 L C 1.098 177.918 176.870 -0.082 0.000 1.095 1508 L CA 0.611 55.396 54.840 -0.092 0.000 0.843 1508 L CB 0.549 42.425 42.059 -0.305 0.000 1.201 1508 L HN -0.046 nan 8.230 nan 0.000 0.445 1509 D N 2.548 122.877 120.400 -0.119 0.000 2.137 1509 D HA -0.070 4.689 4.640 0.198 0.000 0.202 1509 D C -0.205 176.127 176.300 0.053 0.000 0.970 1509 D CA 1.239 55.231 54.000 -0.014 0.000 0.837 1509 D CB 0.356 41.166 40.800 0.017 0.000 0.981 1509 D HN 0.417 nan 8.370 nan 0.000 0.475 1510 Y N -2.053 118.203 120.300 -0.073 0.000 2.609 1510 Y HA 0.609 5.289 4.550 0.218 0.000 0.336 1510 Y C -1.679 174.149 175.900 -0.121 0.000 1.129 1510 Y CA -1.536 56.514 58.100 -0.082 0.000 1.040 1510 Y CB 1.096 39.534 38.460 -0.037 0.000 1.310 1510 Y HN -0.148 nan 8.280 nan 0.000 0.460 1511 L N 2.626 123.847 121.223 -0.003 0.000 2.505 1511 L HA 0.758 5.217 4.340 0.198 0.000 0.266 1511 L C -1.901 175.009 176.870 0.067 0.000 0.954 1511 L CA -0.896 53.895 54.840 -0.082 0.000 0.852 1511 L CB 2.057 43.920 42.059 -0.326 0.000 1.282 1511 L HN 0.731 nan 8.230 nan 0.000 0.403 1512 V N 5.273 125.214 119.914 0.045 0.000 2.394 1512 V HA 0.450 4.689 4.120 0.198 0.000 0.282 1512 V C -0.471 175.626 176.094 0.006 0.000 1.031 1512 V CA -0.484 61.815 62.300 -0.003 0.000 0.881 1512 V CB 1.578 33.329 31.823 -0.119 0.000 0.982 1512 V HN 0.532 nan 8.190 nan 0.000 0.451 1513 L N 5.278 126.539 121.223 0.064 0.000 2.349 1513 L HA 0.595 5.053 4.340 0.198 0.000 0.278 1513 L C -0.314 176.494 176.870 -0.103 0.000 0.996 1513 L CA -0.285 54.571 54.840 0.027 0.000 0.825 1513 L CB 1.627 43.810 42.059 0.206 0.000 1.243 1513 L HN 0.661 nan 8.230 nan 0.000 0.412 1514 N N 3.328 121.808 118.700 -0.367 0.000 2.558 1514 N HA 0.169 5.028 4.740 0.198 0.000 0.233 1514 N C 0.527 175.933 175.510 -0.174 0.000 1.038 1514 N CA 0.054 52.775 53.050 -0.549 0.000 0.934 1514 N CB 0.609 38.486 38.487 -1.017 0.000 1.175 1514 N HN 0.730 nan 8.380 nan 0.000 0.512 1515 E N 2.142 122.330 120.200 -0.019 0.000 2.153 1515 E HA -0.158 4.310 4.350 0.198 0.000 0.194 1515 E C 1.453 178.041 176.600 -0.020 0.000 0.988 1515 E CA 1.160 57.556 56.400 -0.007 0.000 0.811 1515 E CB 0.010 29.735 29.700 0.041 0.000 0.746 1515 E HN 0.762 nan 8.360 nan 0.000 0.466 1516 A N 1.328 124.156 122.820 0.013 0.000 2.024 1516 A HA -0.186 4.253 4.320 0.198 0.000 0.220 1516 A C 1.681 179.252 177.584 -0.021 0.000 1.164 1516 A CA 1.337 53.384 52.037 0.016 0.000 0.643 1516 A CB 0.013 19.052 19.000 0.064 0.000 0.806 1516 A HN 0.047 nan 8.150 nan 0.000 0.451 1517 E N -0.519 119.647 120.200 -0.058 0.000 2.660 1517 E HA 0.073 4.542 4.350 0.198 0.000 0.216 1517 E C -0.626 175.900 176.600 -0.123 0.000 0.986 1517 E CA -0.309 56.044 56.400 -0.078 0.000 1.037 1517 E CB -0.009 29.650 29.700 -0.068 0.000 1.041 1517 E HN 0.544 nan 8.360 nan 0.000 0.480 1518 N N 2.201 120.823 118.700 -0.131 0.000 2.714 1518 N HA -0.230 4.629 4.740 0.198 0.000 0.252 1518 N C -0.225 175.171 175.510 -0.190 0.000 1.014 1518 N CA 0.993 53.945 53.050 -0.164 0.000 0.735 1518 N CB -1.075 37.294 38.487 -0.197 0.000 0.924 1518 N HN 0.447 nan 8.380 nan 0.000 0.540 1519 E N -0.215 119.869 120.200 -0.193 0.000 2.199 1519 E HA 0.674 5.142 4.350 0.198 0.000 0.265 1519 E C -1.096 175.375 176.600 -0.216 0.000 0.882 1519 E CA -0.702 55.555 56.400 -0.237 0.000 0.759 1519 E CB 1.356 30.944 29.700 -0.187 0.000 1.148 1519 E HN 0.322 nan 8.360 nan 0.000 0.412 1520 A N 2.851 125.524 122.820 -0.245 0.000 2.449 1520 A HA 0.829 5.268 4.320 0.198 0.000 0.302 1520 A C -1.379 176.163 177.584 -0.069 0.000 1.048 1520 A CA -0.373 51.582 52.037 -0.137 0.000 0.708 1520 A CB 1.856 20.792 19.000 -0.106 0.000 1.274 1520 A HN 0.597 nan 8.150 nan 0.000 0.410 1521 A N 0.810 123.638 122.820 0.014 0.000 2.330 1521 A HA 0.826 5.264 4.320 0.198 0.000 0.313 1521 A C -0.280 177.303 177.584 -0.002 0.000 1.124 1521 A CA -0.181 51.916 52.037 0.100 0.000 0.774 1521 A CB 1.261 20.356 19.000 0.159 0.000 1.198 1521 A HN 1.697 nan 8.150 nan 0.000 0.465 1522 S N 1.393 117.035 115.700 -0.095 0.000 2.536 1522 S HA 0.722 5.310 4.470 0.198 0.000 0.287 1522 S C 0.004 174.272 174.600 -0.554 0.000 1.101 1522 S CA 0.096 58.066 58.200 -0.384 0.000 0.950 1522 S CB 1.412 64.425 63.200 -0.312 0.000 1.056 1522 S HN 1.583 nan 8.310 nan 0.000 0.481 1523 G N 2.217 110.237 108.800 -1.299 0.000 2.320 1523 G HA2 0.537 4.616 3.960 0.198 0.000 0.300 1523 G HA3 0.537 4.616 3.960 0.198 0.000 0.300 1523 G C -0.258 174.357 174.900 -0.474 0.000 1.126 1523 G CA -0.431 44.213 45.100 -0.761 0.000 0.896 1523 G HN 1.229 nan 8.290 nan 0.000 0.436 1524 V N 0.702 120.446 119.914 -0.285 0.000 2.398 1524 V HA 0.629 4.868 4.120 0.198 0.000 0.286 1524 V C -0.979 174.926 176.094 -0.316 0.000 1.026 1524 V CA -1.183 60.976 62.300 -0.234 0.000 0.868 1524 V CB 1.931 33.663 31.823 -0.151 0.000 0.982 1524 V HN 0.518 nan 8.190 nan 0.000 0.443 1525 D N 4.054 124.330 120.400 -0.207 0.000 2.454 1525 D HA 0.395 5.154 4.640 0.198 0.000 0.247 1525 D C 0.357 176.624 176.300 -0.056 0.000 1.129 1525 D CA -0.638 53.247 54.000 -0.192 0.000 0.877 1525 D CB 1.140 41.888 40.800 -0.086 0.000 1.082 1525 D HN 0.413 nan 8.370 nan 0.000 0.537 1526 F N 1.381 121.283 119.950 -0.080 0.000 2.546 1526 F HA -0.092 4.421 4.527 -0.024 0.000 0.298 1526 F C 2.602 178.355 175.800 -0.079 0.000 1.120 1526 F CA 0.577 58.473 58.000 -0.173 0.000 1.456 1526 F CB -0.957 37.742 39.000 -0.500 0.000 1.088 1526 F HN 0.365 nan 8.300 nan 0.000 0.572 1527 S N -0.193 115.565 115.700 0.097 0.000 2.515 1527 S HA -0.079 4.510 4.470 0.198 0.000 0.231 1527 S C 1.734 176.367 174.600 0.055 0.000 0.987 1527 S CA 0.499 58.738 58.200 0.065 0.000 0.936 1527 S CB -0.837 62.379 63.200 0.027 0.000 0.766 1527 S HN 0.463 nan 8.310 nan 0.000 0.528 1528 L N 0.953 122.211 121.223 0.059 0.000 2.551 1528 L HA 0.278 4.737 4.340 0.198 0.000 0.228 1528 L C 1.407 178.303 176.870 0.043 0.000 1.153 1528 L CA 0.280 55.148 54.840 0.046 0.000 0.851 1528 L CB -0.738 41.347 42.059 0.044 0.000 0.959 1528 L HN 0.504 nan 8.230 nan 0.000 0.451 1529 G N -1.301 107.529 108.800 0.050 0.000 2.818 1529 G HA2 0.440 4.519 3.960 0.198 0.000 0.286 1529 G HA3 0.440 4.519 3.960 0.198 0.000 0.286 1529 G C -1.413 173.501 174.900 0.024 0.000 1.364 1529 G CA -0.302 44.815 45.100 0.028 0.000 0.938 1529 G HN -0.121 nan 8.290 nan 0.000 0.490 1530 S N -1.102 114.607 115.700 0.016 0.000 2.475 1530 S HA 0.590 5.178 4.470 0.198 0.000 0.298 1530 S C 0.186 174.783 174.600 -0.004 0.000 1.119 1530 S CA 0.010 58.227 58.200 0.027 0.000 1.085 1530 S CB 1.190 64.421 63.200 0.052 0.000 1.028 1530 S HN 1.327 nan 8.310 nan 0.000 0.489 1531 S N 3.100 118.804 115.700 0.007 0.000 2.399 1531 S HA 0.342 4.931 4.470 0.198 0.000 0.198 1531 S C -0.835 173.920 174.600 0.259 0.000 1.294 1531 S CA -0.852 57.342 58.200 -0.011 0.000 1.237 1531 S CB 0.184 63.078 63.200 -0.510 0.000 1.286 1531 S HN 0.671 nan 8.310 nan 0.000 0.404 1532 E N 1.550 121.898 120.200 0.248 0.000 2.338 1532 E HA 0.672 5.141 4.350 0.198 0.000 0.272 1532 E C 0.715 177.499 176.600 0.307 0.000 1.029 1532 E CA 0.526 57.064 56.400 0.230 0.000 0.872 1532 E CB 1.293 31.074 29.700 0.135 0.000 1.015 1532 E HN 0.837 nan 8.360 nan 0.000 0.417 1533 G N 1.524 110.429 108.800 0.175 0.000 2.340 1533 G HA2 0.105 4.183 3.960 0.198 0.000 0.282 1533 G HA3 0.105 4.183 3.960 0.198 0.000 0.282 1533 G C -0.995 173.635 174.900 -0.450 0.000 1.312 1533 G CA -0.293 44.700 45.100 -0.178 0.000 0.942 1533 G HN 0.590 nan 8.290 nan 0.000 0.495 1534 T N -1.811 112.175 114.554 -0.946 0.000 2.876 1534 T HA 0.848 5.317 4.350 0.198 0.000 0.289 1534 T C -0.922 173.088 174.700 -1.149 0.000 1.014 1534 T CA -0.665 61.015 62.100 -0.699 0.000 0.986 1534 T CB 1.895 70.569 68.868 -0.324 0.000 1.021 1534 T HN 1.064 nan 8.240 nan 0.000 0.458 1535 F N -0.622 119.279 119.950 -0.081 0.000 2.686 1535 F HA 0.720 5.393 4.527 0.243 0.000 0.311 1535 F C 1.091 176.848 175.800 -0.073 0.000 1.128 1535 F CA -1.370 56.554 58.000 -0.127 0.000 0.946 1535 F CB 1.108 39.981 39.000 -0.211 0.000 1.336 1535 F HN 0.717 nan 8.300 nan 0.000 0.457 1536 A N 0.771 123.664 122.820 0.122 0.000 1.903 1536 A HA 0.633 5.072 4.320 0.198 0.000 0.213 1536 A C 0.640 178.269 177.584 0.074 0.000 1.185 1536 A CA 1.133 53.218 52.037 0.079 0.000 0.628 1536 A CB -0.296 18.738 19.000 0.056 0.000 0.830 1536 A HN 1.026 nan 8.150 nan 0.000 0.446 1537 A N -0.583 122.271 122.820 0.057 0.000 2.530 1537 A HA 0.492 4.931 4.320 0.198 0.000 0.279 1537 A C -0.608 176.890 177.584 -0.144 0.000 1.109 1537 A CA -0.507 51.532 52.037 0.004 0.000 0.763 1537 A CB 0.129 19.162 19.000 0.055 0.000 1.257 1537 A HN 0.385 nan 8.150 nan 0.000 0.424 1538 H N 4.283 123.098 119.070 -0.425 0.000 3.157 1538 H HA 0.039 4.736 4.556 0.236 0.000 0.299 1538 H C -1.739 173.141 175.328 -0.748 0.000 0.961 1538 H CA -0.530 54.922 56.048 -0.993 0.000 1.428 1538 H CB 1.099 29.936 29.762 -1.541 0.000 1.459 1538 H HN 0.312 nan 8.280 nan 0.000 0.566 1539 P HA -0.123 nan 4.420 nan 0.000 0.219 1539 P C 1.042 178.150 177.300 -0.321 0.000 1.146 1539 P CA 1.845 64.755 63.100 -0.318 0.000 0.808 1539 P CB 0.149 31.730 31.700 -0.200 0.000 0.779 1540 A N -0.923 121.629 122.820 -0.446 0.000 1.897 1540 A HA -0.198 4.241 4.320 0.198 0.000 0.215 1540 A C 1.979 179.247 177.584 -0.527 0.000 1.181 1540 A CA 1.367 52.757 52.037 -1.078 0.000 0.620 1540 A CB -1.483 16.856 19.000 -1.102 0.000 0.821 1540 A HN 0.172 nan 8.150 nan 0.000 0.443 1541 H N -0.468 118.227 119.070 -0.626 0.000 2.326 1541 H HA -0.043 4.552 4.556 0.065 0.000 0.301 1541 H C 2.270 177.380 175.328 -0.363 0.000 1.081 1541 H CA 1.606 57.127 56.048 -0.878 0.000 1.334 1541 H CB -0.835 28.134 29.762 -1.323 0.000 1.385 1541 H HN 0.238 nan 8.280 nan 0.000 0.504 1542 V N 0.924 120.770 119.914 -0.115 0.000 2.358 1542 V HA -0.206 4.033 4.120 0.198 0.000 0.246 1542 V C 2.212 178.288 176.094 -0.030 0.000 1.047 1542 V CA 2.032 64.311 62.300 -0.035 0.000 1.035 1542 V CB -0.466 31.330 31.823 -0.045 0.000 0.658 1542 V HN 0.357 nan 8.190 nan 0.000 0.452 1543 D N 0.331 120.727 120.400 -0.006 0.000 2.123 1543 D HA -0.175 4.584 4.640 0.198 0.000 0.196 1543 D C 2.116 178.495 176.300 0.133 0.000 0.992 1543 D CA 1.493 55.563 54.000 0.118 0.000 0.833 1543 D CB -0.135 40.871 40.800 0.343 0.000 0.954 1543 D HN 0.379 nan 8.370 nan 0.000 0.455 1544 A N 0.050 122.933 122.820 0.104 0.000 1.940 1544 A HA -0.152 4.286 4.320 0.198 0.000 0.219 1544 A C 2.348 179.973 177.584 0.068 0.000 1.176 1544 A CA 1.300 53.411 52.037 0.124 0.000 0.631 1544 A CB -0.825 18.291 19.000 0.193 0.000 0.814 1544 A HN 0.398 nan 8.150 nan 0.000 0.446 1545 I N 0.242 120.855 120.570 0.072 0.000 2.163 1545 I HA -0.268 4.021 4.170 0.198 0.000 0.243 1545 I C 2.853 178.905 176.117 -0.109 0.000 1.085 1545 I CA 1.954 63.269 61.300 0.026 0.000 1.347 1545 I CB -0.642 37.434 38.000 0.127 0.000 1.044 1545 I HN 0.552 nan 8.210 nan 0.000 0.408 1546 T N -1.969 112.461 114.554 -0.207 0.000 2.951 1546 T HA -0.160 4.309 4.350 0.198 0.000 0.268 1546 T C 1.755 176.384 174.700 -0.118 0.000 1.073 1546 T CA 0.837 62.745 62.100 -0.319 0.000 1.134 1546 T CB -0.340 68.283 68.868 -0.408 0.000 0.884 1546 T HN 0.386 nan 8.240 nan 0.000 0.479 1547 Q N 0.515 120.306 119.800 -0.016 0.000 2.181 1547 Q HA -0.064 4.395 4.340 0.198 0.000 0.205 1547 Q C 2.492 178.466 176.000 -0.043 0.000 0.980 1547 Q CA 1.433 57.245 55.803 0.014 0.000 0.862 1547 Q CB -0.471 28.267 28.738 -0.000 0.000 0.905 1547 Q HN 0.485 nan 8.270 nan 0.000 0.429 1548 V N 0.690 120.549 119.914 -0.092 0.000 2.295 1548 V HA -0.307 3.932 4.120 0.198 0.000 0.246 1548 V C 2.237 178.283 176.094 -0.079 0.000 1.049 1548 V CA 1.920 64.154 62.300 -0.110 0.000 1.024 1548 V CB -0.976 30.766 31.823 -0.134 0.000 0.648 1548 V HN 0.413 nan 8.190 nan 0.000 0.447 1549 A N 0.478 123.225 122.820 -0.121 0.000 1.898 1549 A HA -0.054 4.385 4.320 0.198 0.000 0.216 1549 A C 2.429 179.954 177.584 -0.098 0.000 1.181 1549 A CA 1.868 53.822 52.037 -0.139 0.000 0.620 1549 A CB -1.240 17.651 19.000 -0.183 0.000 0.819 1549 A HN 0.523 nan 8.150 nan 0.000 0.442 1550 G N -1.406 107.366 108.800 -0.047 0.000 2.418 1550 G HA2 -0.226 3.852 3.960 0.198 0.000 0.217 1550 G HA3 -0.226 3.852 3.960 0.198 0.000 0.217 1550 G C 1.478 176.372 174.900 -0.010 0.000 1.158 1550 G CA 1.117 46.215 45.100 -0.003 0.000 0.771 1550 G HN 0.463 nan 8.290 nan 0.000 0.545 1551 F N 2.281 122.149 119.950 -0.137 0.000 2.134 1551 F HA 0.063 4.715 4.527 0.208 0.000 0.299 1551 F C 2.856 178.552 175.800 -0.173 0.000 1.097 1551 F CA 1.350 59.242 58.000 -0.180 0.000 1.264 1551 F CB -0.180 38.668 39.000 -0.254 0.000 1.001 1551 F HN 0.230 nan 8.300 nan 0.000 0.479 1552 A N 0.408 123.234 122.820 0.010 0.000 1.917 1552 A HA -0.243 4.196 4.320 0.198 0.000 0.219 1552 A C 2.181 179.641 177.584 -0.207 0.000 1.182 1552 A CA 2.118 54.103 52.037 -0.087 0.000 0.633 1552 A CB -0.634 18.296 19.000 -0.116 0.000 0.819 1552 A HN 0.414 nan 8.150 nan 0.000 0.448 1553 M N -0.567 118.884 119.600 -0.249 0.000 2.098 1553 M HA -0.074 4.524 4.480 0.198 0.000 0.262 1553 M C 1.685 177.848 176.300 -0.228 0.000 1.072 1553 M CA 1.615 56.704 55.300 -0.351 0.000 1.133 1553 M CB -1.954 30.284 32.600 -0.604 0.000 1.344 1553 M HN 0.526 nan 8.290 nan 0.000 0.414 1554 N N 0.360 118.944 118.700 -0.192 0.000 2.396 1554 N HA 0.020 4.879 4.740 0.198 0.000 0.180 1554 N C 1.377 176.692 175.510 -0.323 0.000 1.028 1554 N CA 0.855 53.811 53.050 -0.157 0.000 0.893 1554 N CB -0.012 38.400 38.487 -0.125 0.000 0.967 1554 N HN 0.341 nan 8.380 nan 0.000 0.440 1555 A N 0.216 122.700 122.820 -0.561 0.000 2.251 1555 A HA 0.013 4.451 4.320 0.198 0.000 0.209 1555 A C 0.713 178.131 177.584 -0.277 0.000 1.187 1555 A CA -0.224 51.422 52.037 -0.652 0.000 0.823 1555 A CB -0.129 18.087 19.000 -1.306 0.000 0.846 1555 A HN 0.216 nan 8.150 nan 0.000 0.486 1556 N N 0.772 119.358 118.700 -0.190 0.000 2.454 1556 N HA -0.075 4.784 4.740 0.198 0.000 0.260 1556 N C 0.345 175.826 175.510 -0.049 0.000 1.218 1556 N CA 0.454 53.451 53.050 -0.087 0.000 0.904 1556 N CB 0.771 39.212 38.487 -0.078 0.000 1.065 1556 N HN 0.302 nan 8.380 nan 0.000 0.462 1557 D N 3.064 123.458 120.400 -0.009 0.000 2.182 1557 D HA -0.129 4.630 4.640 0.198 0.000 0.201 1557 D C 0.717 177.018 176.300 0.002 0.000 0.986 1557 D CA 1.565 55.569 54.000 0.006 0.000 0.847 1557 D CB 0.115 40.932 40.800 0.028 0.000 0.942 1557 D HN 0.654 nan 8.370 nan 0.000 0.467 1558 N N -1.129 117.572 118.700 0.002 0.000 2.398 1558 N HA 0.071 4.930 4.740 0.198 0.000 0.188 1558 N C -0.796 174.721 175.510 0.012 0.000 1.122 1558 N CA -0.232 52.823 53.050 0.007 0.000 0.866 1558 N CB 1.060 39.554 38.487 0.011 0.000 0.970 1558 N HN -0.028 nan 8.380 nan 0.000 0.462 1559 V N 1.409 121.328 119.914 0.008 0.000 2.364 1559 V HA 0.077 4.315 4.120 0.198 0.000 0.272 1559 V C -0.274 175.816 176.094 -0.006 0.000 1.036 1559 V CA -0.642 61.672 62.300 0.023 0.000 0.880 1559 V CB 1.117 32.976 31.823 0.061 0.000 0.991 1559 V HN 0.099 nan 8.190 nan 0.000 0.460 1560 D N 4.891 125.285 120.400 -0.011 0.000 2.411 1560 D HA 0.182 4.941 4.640 0.198 0.000 0.225 1560 D C 1.177 177.459 176.300 -0.030 0.000 1.156 1560 D CA -0.472 53.516 54.000 -0.020 0.000 0.874 1560 D CB 1.006 41.796 40.800 -0.018 0.000 1.034 1560 D HN 0.586 nan 8.370 nan 0.000 0.502 1561 I N 0.640 121.190 120.570 -0.033 0.000 3.176 1561 I HA -0.033 4.255 4.170 0.198 0.000 0.275 1561 I C 1.004 177.099 176.117 -0.037 0.000 1.298 1561 I CA 0.428 61.705 61.300 -0.039 0.000 1.445 1561 I CB 0.059 38.033 38.000 -0.043 0.000 1.075 1561 I HN 0.132 nan 8.210 nan 0.000 0.482 1562 E N 2.179 122.361 120.200 -0.030 0.000 2.347 1562 E HA -0.096 4.372 4.350 0.198 0.000 0.196 1562 E C 1.379 177.959 176.600 -0.033 0.000 1.008 1562 E CA 0.824 57.207 56.400 -0.027 0.000 0.852 1562 E CB 0.065 29.754 29.700 -0.019 0.000 0.783 1562 E HN 0.694 nan 8.360 nan 0.000 0.505 1563 K N 0.097 120.472 120.400 -0.040 0.000 2.362 1563 K HA 0.057 4.496 4.320 0.198 0.000 0.203 1563 K C 0.786 177.345 176.600 -0.068 0.000 1.198 1563 K CA 0.212 56.471 56.287 -0.047 0.000 0.908 1563 K CB 0.641 33.117 32.500 -0.040 0.000 1.236 1563 K HN 0.025 nan 8.250 nan 0.000 0.487 1564 Q N 0.905 120.655 119.800 -0.084 0.000 2.331 1564 Q HA 0.528 4.987 4.340 0.198 0.000 0.272 1564 Q C -0.949 174.961 176.000 -0.150 0.000 1.062 1564 Q CA -1.035 54.685 55.803 -0.138 0.000 0.806 1564 Q CB 2.329 30.964 28.738 -0.173 0.000 1.312 1564 Q HN -0.026 nan 8.270 nan 0.000 0.431 1565 V N -0.435 119.366 119.914 -0.188 0.000 2.876 1565 V HA 0.580 4.819 4.120 0.198 0.000 0.312 1565 V C -1.363 174.587 176.094 -0.241 0.000 1.085 1565 V CA -0.988 61.226 62.300 -0.144 0.000 0.945 1565 V CB 1.419 33.200 31.823 -0.069 0.000 1.017 1565 V HN 0.818 nan 8.190 nan 0.000 0.428 1566 Y N 2.146 122.418 120.300 -0.047 0.000 2.350 1566 Y HA 0.677 5.345 4.550 0.196 0.000 0.340 1566 Y C 0.370 176.261 175.900 -0.016 0.000 1.006 1566 Y CA -0.125 57.955 58.100 -0.035 0.000 1.166 1566 Y CB 1.694 40.127 38.460 -0.046 0.000 1.168 1566 Y HN 0.584 nan 8.280 nan 0.000 0.502 1567 V N 3.437 123.419 119.914 0.114 0.000 2.715 1567 V HA 0.256 4.494 4.120 0.198 0.000 0.310 1567 V C -0.253 175.924 176.094 0.138 0.000 1.054 1567 V CA -1.391 60.969 62.300 0.100 0.000 0.928 1567 V CB 1.983 33.840 31.823 0.056 0.000 1.007 1567 V HN 0.668 nan 8.190 nan 0.000 0.437 1568 N N 1.407 120.191 118.700 0.141 0.000 2.475 1568 N HA 0.069 4.928 4.740 0.198 0.000 0.267 1568 N C 0.383 175.996 175.510 0.172 0.000 1.169 1568 N CA 0.425 53.566 53.050 0.151 0.000 0.947 1568 N CB 0.533 39.106 38.487 0.144 0.000 1.061 1568 N HN 0.799 nan 8.380 nan 0.000 0.466 1569 H N 2.288 121.392 119.070 0.057 0.000 2.750 1569 H HA 0.391 5.066 4.556 0.197 0.000 0.263 1569 H C 0.684 175.988 175.328 -0.040 0.000 0.964 1569 H CA 0.897 56.956 56.048 0.018 0.000 1.205 1569 H CB 0.166 29.945 29.762 0.028 0.000 1.454 1569 H HN 0.737 nan 8.280 nan 0.000 0.503 1570 G N -1.119 107.621 108.800 -0.101 0.000 2.278 1570 G HA2 0.205 4.283 3.960 0.198 0.000 0.265 1570 G HA3 0.205 4.283 3.960 0.198 0.000 0.265 1570 G C -1.759 173.173 174.900 0.053 0.000 1.329 1570 G CA -0.339 44.559 45.100 -0.336 0.000 1.017 1570 G HN 0.488 nan 8.290 nan 0.000 0.472 1571 W N -1.729 119.590 121.300 0.032 0.000 3.161 1571 W HA 0.722 5.506 4.660 0.207 0.000 0.314 1571 W C -0.315 176.270 176.519 0.109 0.000 1.245 1571 W CA -0.184 57.217 57.345 0.092 0.000 1.191 1571 W CB 0.241 29.818 29.460 0.195 0.000 1.392 1571 W HN 0.398 nan 8.180 nan 0.000 0.568 1572 D N 0.589 121.227 120.400 0.396 0.000 2.213 1572 D HA 0.055 4.814 4.640 0.198 0.000 0.205 1572 D C 0.215 176.737 176.300 0.371 0.000 0.961 1572 D CA 1.533 55.696 54.000 0.272 0.000 0.853 1572 D CB 0.627 41.544 40.800 0.195 0.000 0.967 1572 D HN 0.209 nan 8.370 nan 0.000 0.496 1573 S N -1.134 114.877 115.700 0.519 0.000 2.533 1573 S HA 0.526 5.115 4.470 0.198 0.000 0.271 1573 S C -2.030 172.786 174.600 0.360 0.000 1.143 1573 S CA -0.825 57.626 58.200 0.419 0.000 0.891 1573 S CB 0.800 64.171 63.200 0.285 0.000 1.105 1573 S HN 0.063 nan 8.310 nan 0.000 0.468 1574 F N 3.413 123.361 119.950 -0.004 0.000 2.585 1574 F HA 0.573 5.217 4.527 0.196 0.000 0.319 1574 F C -1.047 174.551 175.800 -0.338 0.000 1.165 1574 F CA -0.303 57.404 58.000 -0.488 0.000 0.949 1574 F CB 1.418 39.850 39.000 -0.947 0.000 1.218 1574 F HN 0.627 nan 8.300 nan 0.000 0.453 1575 Q N 6.667 125.922 119.800 -0.909 0.000 2.372 1575 Q HA 0.613 5.072 4.340 0.198 0.000 0.273 1575 Q C -1.345 173.853 176.000 -1.337 0.000 1.078 1575 Q CA -0.965 54.266 55.803 -0.954 0.000 0.806 1575 Q CB 3.601 31.986 28.738 -0.589 0.000 1.332 1575 Q HN 0.637 nan 8.270 nan 0.000 0.435 1576 I N 1.962 121.846 120.570 -1.142 0.000 2.406 1576 I HA 0.245 4.534 4.170 0.198 0.000 0.290 1576 I C -0.589 175.143 176.117 -0.641 0.000 0.999 1576 I CA -0.401 60.390 61.300 -0.849 0.000 1.124 1576 I CB 1.144 38.809 38.000 -0.559 0.000 1.289 1576 I HN 0.774 nan 8.210 nan 0.000 0.441 1577 Y N 3.067 123.300 120.300 -0.111 0.000 2.444 1577 Y HA 0.276 4.946 4.550 0.200 0.000 0.252 1577 Y C 0.860 176.747 175.900 -0.022 0.000 1.091 1577 Y CA -0.317 57.749 58.100 -0.057 0.000 1.276 1577 Y CB 0.760 39.197 38.460 -0.038 0.000 1.170 1577 Y HN 0.505 nan 8.280 nan 0.000 0.517 1578 Q N 1.210 121.070 119.800 0.099 0.000 2.379 1578 Q HA 0.361 4.819 4.340 0.198 0.000 0.278 1578 Q C -2.853 173.188 176.000 0.068 0.000 1.068 1578 Q CA -2.521 53.342 55.803 0.100 0.000 0.816 1578 Q CB 2.358 31.182 28.738 0.144 0.000 1.387 1578 Q HN -0.156 nan 8.270 nan 0.000 0.413 1579 P HA -0.066 nan 4.420 nan 0.000 0.263 1579 P C -0.720 176.658 177.300 0.130 0.000 1.175 1579 P CA 0.627 63.790 63.100 0.104 0.000 0.761 1579 P CB 0.317 32.092 31.700 0.125 0.000 0.794 1580 L N 2.889 124.178 121.223 0.110 0.000 2.389 1580 L HA 0.169 4.628 4.340 0.198 0.000 0.265 1580 L C 0.978 178.011 176.870 0.272 0.000 1.167 1580 L CA -0.328 54.595 54.840 0.138 0.000 1.045 1580 L CB -0.356 41.734 42.059 0.052 0.000 1.351 1580 L HN 0.333 nan 8.230 nan 0.000 0.419 1581 D N 2.339 122.978 120.400 0.399 0.000 2.348 1581 D HA -0.045 4.714 4.640 0.198 0.000 0.253 1581 D C 1.058 177.557 176.300 0.331 0.000 1.161 1581 D CA -0.187 54.006 54.000 0.322 0.000 0.876 1581 D CB 1.084 42.051 40.800 0.278 0.000 1.160 1581 D HN 0.443 nan 8.370 nan 0.000 0.459 1582 N N 1.505 120.359 118.700 0.258 0.000 2.521 1582 N HA -0.148 4.710 4.740 0.198 0.000 0.188 1582 N C 0.825 176.432 175.510 0.162 0.000 1.146 1582 N CA 0.325 53.512 53.050 0.228 0.000 0.893 1582 N CB -0.092 38.551 38.487 0.259 0.000 0.975 1582 N HN 0.193 nan 8.380 nan 0.000 0.451 1583 S N -2.224 113.552 115.700 0.127 0.000 2.540 1583 S HA 0.262 4.850 4.470 0.198 0.000 0.218 1583 S C 0.364 174.963 174.600 -0.002 0.000 0.977 1583 S CA -0.514 57.721 58.200 0.059 0.000 0.918 1583 S CB 0.321 63.548 63.200 0.045 0.000 0.806 1583 S HN 0.107 nan 8.310 nan 0.000 0.496 1584 K N 1.786 122.176 120.400 -0.017 0.000 2.221 1584 K HA 0.577 5.016 4.320 0.198 0.000 0.243 1584 K C -0.589 175.762 176.600 -0.413 0.000 0.968 1584 K CA -0.542 55.603 56.287 -0.237 0.000 0.846 1584 K CB 1.926 34.212 32.500 -0.355 0.000 1.141 1584 K HN 0.345 nan 8.250 nan 0.000 0.434 1585 S N 0.703 116.082 115.700 -0.535 0.000 2.593 1585 S HA 0.591 5.180 4.470 0.198 0.000 0.297 1585 S C -1.008 173.135 174.600 -0.762 0.000 1.112 1585 S CA -0.684 57.209 58.200 -0.513 0.000 1.043 1585 S CB 0.592 63.633 63.200 -0.266 0.000 1.054 1585 S HN 0.477 nan 8.310 nan 0.000 0.516 1586 Y N -0.425 119.659 120.300 -0.360 0.000 2.581 1586 Y HA 0.538 5.196 4.550 0.179 0.000 0.345 1586 Y C -0.578 175.224 175.900 -0.163 0.000 1.036 1586 Y CA -1.158 56.798 58.100 -0.239 0.000 1.042 1586 Y CB 1.781 40.072 38.460 -0.282 0.000 1.289 1586 Y HN 0.533 nan 8.280 nan 0.000 0.471 1587 Q N 1.042 120.897 119.800 0.092 0.000 2.271 1587 Q HA 0.665 5.124 4.340 0.198 0.000 0.258 1587 Q C -1.306 174.746 176.000 0.086 0.000 0.936 1587 Q CA -0.659 55.189 55.803 0.075 0.000 0.909 1587 Q CB 2.016 30.826 28.738 0.121 0.000 1.253 1587 Q HN 0.394 nan 8.270 nan 0.000 0.440 1588 V N 3.053 122.996 119.914 0.047 0.000 2.487 1588 V HA 0.486 4.725 4.120 0.198 0.000 0.298 1588 V C -1.466 174.682 176.094 0.089 0.000 1.028 1588 V CA -0.911 61.415 62.300 0.043 0.000 0.860 1588 V CB 1.164 32.974 31.823 -0.022 0.000 0.991 1588 V HN 0.737 nan 8.190 nan 0.000 0.427 1589 Y N 3.241 123.526 120.300 -0.024 0.000 2.425 1589 Y HA 0.758 5.426 4.550 0.196 0.000 0.344 1589 Y C -0.335 175.546 175.900 -0.032 0.000 0.969 1589 Y CA -0.286 57.809 58.100 -0.008 0.000 1.052 1589 Y CB 2.329 40.826 38.460 0.061 0.000 1.215 1589 Y HN 0.647 nan 8.280 nan 0.000 0.451 1590 T N 5.870 119.836 114.554 -0.981 0.000 2.923 1590 T HA 0.388 4.857 4.350 0.198 0.000 0.311 1590 T C -2.064 172.125 174.700 -0.851 0.000 1.183 1590 T CA -0.875 60.768 62.100 -0.761 0.000 1.020 1590 T CB 1.116 69.757 68.868 -0.378 0.000 1.165 1590 T HN 0.706 nan 8.240 nan 0.000 0.482 1591 K N 5.215 125.294 120.400 -0.534 0.000 2.572 1591 K HA 0.356 4.795 4.320 0.198 0.000 0.244 1591 K C 0.674 177.140 176.600 -0.224 0.000 0.965 1591 K CA -0.830 55.257 56.287 -0.332 0.000 0.943 1591 K CB 0.727 33.102 32.500 -0.208 0.000 1.154 1591 K HN 0.452 nan 8.250 nan 0.000 0.447 1592 M N 1.875 121.340 119.600 -0.225 0.000 2.248 1592 M HA 0.097 4.696 4.480 0.198 0.000 0.265 1592 M C 1.234 177.407 176.300 -0.211 0.000 1.079 1592 M CA 1.399 56.572 55.300 -0.213 0.000 1.150 1592 M CB -1.282 31.179 32.600 -0.231 0.000 1.366 1592 M HN 0.954 nan 8.290 nan 0.000 0.433 1593 G N 1.004 109.693 108.800 -0.185 0.000 2.591 1593 G HA2 -0.216 3.863 3.960 0.198 0.000 0.278 1593 G HA3 -0.216 3.863 3.960 0.198 0.000 0.278 1593 G C -0.257 174.541 174.900 -0.169 0.000 1.293 1593 G CA -0.308 44.699 45.100 -0.156 0.000 0.930 1593 G HN 0.415 nan 8.290 nan 0.000 0.562 1594 Q N 0.353 120.074 119.800 -0.132 0.000 2.241 1594 Q HA 0.677 5.136 4.340 0.198 0.000 0.254 1594 Q C 0.922 176.883 176.000 -0.064 0.000 0.917 1594 Q CA 0.217 55.968 55.803 -0.087 0.000 0.919 1594 Q CB 1.302 30.009 28.738 -0.051 0.000 1.237 1594 Q HN 1.146 nan 8.270 nan 0.000 0.434 1599 D N -0.590 119.807 120.400 -0.006 0.000 2.348 1599 D HA 0.242 5.001 4.640 0.198 0.000 0.216 1599 D C -0.111 176.195 176.300 0.011 0.000 0.970 1599 D CA 0.709 54.691 54.000 -0.029 0.000 0.889 1599 D CB 0.104 40.861 40.800 -0.072 0.000 0.912 1599 D HN 0.381 nan 8.370 nan 0.000 0.524 1600 L N 0.210 121.468 121.223 0.059 0.000 2.362 1600 L HA 0.462 4.920 4.340 0.198 0.000 0.271 1600 L C -0.317 176.642 176.870 0.149 0.000 1.002 1600 L CA -1.152 53.750 54.840 0.103 0.000 0.818 1600 L CB 2.355 44.464 42.059 0.083 0.000 1.298 1600 L HN -0.293 nan 8.230 nan 0.000 0.420 1601 V N -1.608 118.397 119.914 0.152 0.000 2.864 1601 V HA 0.718 4.956 4.120 0.198 0.000 0.314 1601 V C -0.877 175.278 176.094 0.101 0.000 1.073 1601 V CA -0.428 61.905 62.300 0.054 0.000 0.956 1601 V CB 1.832 33.600 31.823 -0.091 0.000 1.023 1601 V HN 0.916 nan 8.190 nan 0.000 0.435 1602 H N 0.883 119.954 119.070 0.002 0.000 2.980 1602 H HA 0.939 5.612 4.556 0.196 0.000 0.367 1602 H C -0.401 174.920 175.328 -0.013 0.000 1.206 1602 H CA -0.453 55.603 56.048 0.014 0.000 1.126 1602 H CB 2.055 31.848 29.762 0.050 0.000 1.838 1602 H HN 1.335 nan 8.280 nan 0.000 0.552 1603 G N 0.774 109.619 108.800 0.075 0.000 2.451 1603 G HA2 0.262 4.341 3.960 0.198 0.000 0.292 1603 G HA3 0.262 4.341 3.960 0.198 0.000 0.292 1603 G C -1.878 173.018 174.900 -0.008 0.000 1.427 1603 G CA -0.836 44.263 45.100 -0.003 0.000 0.792 1603 G HN 0.558 nan 8.290 nan 0.000 0.498 1604 D N -0.584 119.791 120.400 -0.040 0.000 2.229 1604 D HA 0.596 5.354 4.640 0.198 0.000 0.249 1604 D C -0.308 175.847 176.300 -0.241 0.000 1.027 1604 D CA -0.164 53.729 54.000 -0.177 0.000 0.923 1604 D CB 2.187 42.944 40.800 -0.072 0.000 1.174 1604 D HN 0.247 nan 8.370 nan 0.000 0.443 1605 V N 1.394 121.085 119.914 -0.372 0.000 2.525 1605 V HA 0.330 4.569 4.120 0.198 0.000 0.299 1605 V C -0.219 175.766 176.094 -0.182 0.000 1.034 1605 V CA -0.861 61.310 62.300 -0.215 0.000 0.863 1605 V CB 2.067 33.812 31.823 -0.129 0.000 0.999 1605 V HN 0.293 nan 8.190 nan 0.000 0.423 1606 V N 6.157 126.056 119.914 -0.026 0.000 2.667 1606 V HA 0.737 4.976 4.120 0.198 0.000 0.308 1606 V C -0.675 175.470 176.094 0.085 0.000 1.048 1606 V CA -0.277 62.093 62.300 0.116 0.000 0.928 1606 V CB 2.315 34.066 31.823 -0.119 0.000 1.004 1606 V HN 0.648 nan 8.190 nan 0.000 0.444 1607 V N 7.368 127.357 119.914 0.126 0.000 2.444 1607 V HA 0.537 4.776 4.120 0.198 0.000 0.294 1607 V C -0.267 175.905 176.094 0.130 0.000 1.022 1607 V CA -0.473 61.891 62.300 0.106 0.000 0.850 1607 V CB 1.391 33.255 31.823 0.070 0.000 0.992 1607 V HN 0.726 nan 8.190 nan 0.000 0.426 1608 L N 3.206 124.518 121.223 0.148 0.000 2.319 1608 L HA 0.708 5.167 4.340 0.198 0.000 0.267 1608 L C -0.749 176.254 176.870 0.221 0.000 1.011 1608 L CA -0.614 54.321 54.840 0.159 0.000 0.818 1608 L CB 2.130 44.262 42.059 0.122 0.000 1.316 1608 L HN 0.588 nan 8.230 nan 0.000 0.432 1609 D N 0.858 121.366 120.400 0.180 0.000 2.404 1609 D HA 0.483 5.241 4.640 0.198 0.000 0.267 1609 D C 0.527 176.849 176.300 0.035 0.000 1.194 1609 D CA 0.580 54.637 54.000 0.094 0.000 0.910 1609 D CB 0.872 41.757 40.800 0.142 0.000 1.090 1609 D HN 0.729 nan 8.370 nan 0.000 0.511 1610 G N 3.923 112.733 108.800 0.017 0.000 2.574 1610 G HA2 -0.353 3.726 3.960 0.198 0.000 0.301 1610 G HA3 -0.353 3.726 3.960 0.198 0.000 0.301 1610 G C 0.865 175.789 174.900 0.040 0.000 1.166 1610 G CA 0.385 45.494 45.100 0.016 0.000 0.971 1610 G HN 0.478 nan 8.290 nan 0.000 0.542 1611 E N 1.419 121.638 120.200 0.032 0.000 2.478 1611 E HA 0.119 4.587 4.350 0.198 0.000 0.194 1611 E C 1.451 178.079 176.600 0.047 0.000 1.045 1611 E CA 0.517 56.939 56.400 0.038 0.000 0.868 1611 E CB 0.260 29.973 29.700 0.022 0.000 0.885 1611 E HN 0.544 nan 8.360 nan 0.000 0.505 1612 Q N 0.510 120.344 119.800 0.057 0.000 2.243 1612 Q HA 0.223 4.682 4.340 0.198 0.000 0.252 1612 Q C -0.327 175.727 176.000 0.089 0.000 0.909 1612 Q CA -0.331 55.510 55.803 0.064 0.000 0.922 1612 Q CB 1.233 30.018 28.738 0.079 0.000 1.215 1612 Q HN -0.020 nan 8.270 nan 0.000 0.427 1613 I N 4.266 124.877 120.570 0.067 0.000 2.452 1613 I HA -0.036 4.253 4.170 0.198 0.000 0.287 1613 I C 0.565 176.797 176.117 0.192 0.000 1.079 1613 I CA 0.401 61.758 61.300 0.095 0.000 1.387 1613 I CB 0.750 38.736 38.000 -0.024 0.000 1.404 1613 I HN 0.628 nan 8.210 nan 0.000 0.522 1614 V N 6.054 126.102 119.914 0.225 0.000 2.788 1614 V HA 0.370 4.609 4.120 0.198 0.000 0.241 1614 V C 0.676 176.864 176.094 0.158 0.000 1.083 1614 V CA 0.912 63.327 62.300 0.191 0.000 1.103 1614 V CB 0.659 32.552 31.823 0.116 0.000 0.800 1614 V HN 0.889 nan 8.190 nan 0.000 0.476 1615 A N -0.831 122.088 122.820 0.166 0.000 2.586 1615 A HA 0.751 5.190 4.320 0.198 0.000 0.290 1615 A C -2.189 175.522 177.584 0.213 0.000 1.086 1615 A CA -0.311 51.717 52.037 -0.015 0.000 0.665 1615 A CB 1.763 20.712 19.000 -0.084 0.000 1.279 1615 A HN 0.108 nan 8.150 nan 0.000 0.423 1616 F N 0.063 119.949 119.950 -0.106 0.000 2.623 1616 F HA 0.671 5.317 4.527 0.199 0.000 0.323 1616 F C -2.021 173.764 175.800 -0.024 0.000 1.158 1616 F CA -0.963 57.055 58.000 0.030 0.000 1.030 1616 F CB 1.231 40.318 39.000 0.147 0.000 1.280 1616 F HN 0.465 nan 8.300 nan 0.000 0.474 1617 F N 5.419 125.151 119.950 -0.363 0.000 2.410 1617 F HA 0.535 5.169 4.527 0.179 0.000 0.349 1617 F C 0.312 175.741 175.800 -0.620 0.000 1.117 1617 F CA -0.399 57.387 58.000 -0.358 0.000 1.104 1617 F CB 1.282 40.027 39.000 -0.426 0.000 1.122 1617 F HN 0.353 nan 8.300 nan 0.000 0.483 1618 R N 1.735 122.219 120.500 -0.028 0.000 2.338 1618 R HA 0.497 4.956 4.340 0.198 0.000 0.317 1618 R C 0.512 176.922 176.300 0.183 0.000 0.968 1618 R CA -0.017 56.124 56.100 0.068 0.000 0.849 1618 R CB 1.094 31.599 30.300 0.340 0.000 1.128 1618 R HN 0.897 nan 8.270 nan 0.000 0.448 1619 G N 4.066 112.959 108.800 0.156 0.000 2.272 1619 G HA2 -0.278 3.801 3.960 0.198 0.000 0.280 1619 G HA3 -0.278 3.801 3.960 0.198 0.000 0.280 1619 G C -0.210 174.826 174.900 0.227 0.000 1.067 1619 G CA 0.193 45.411 45.100 0.197 0.000 0.902 1619 G HN 0.534 nan 8.290 nan 0.000 0.500 1620 L N 1.117 122.442 121.223 0.171 0.000 2.540 1620 L HA 0.516 4.975 4.340 0.198 0.000 0.276 1620 L C 0.567 177.527 176.870 0.150 0.000 1.212 1620 L CA 0.958 55.880 54.840 0.137 0.000 0.893 1620 L CB 0.591 42.579 42.059 -0.117 0.000 1.138 1620 L HN 0.197 nan 8.230 nan 0.000 0.491 1621 T N 6.849 121.514 114.554 0.185 0.000 2.792 1621 T HA 0.571 5.040 4.350 0.198 0.000 0.280 1621 T C -0.405 174.408 174.700 0.188 0.000 0.990 1621 T CA -0.429 61.790 62.100 0.199 0.000 0.960 1621 T CB 0.794 69.803 68.868 0.235 0.000 0.939 1621 T HN 0.447 nan 8.240 nan 0.000 0.439 1622 L N 2.915 124.236 121.223 0.163 0.000 2.346 1622 L HA 0.647 5.105 4.340 0.198 0.000 0.276 1622 L C 0.226 177.227 176.870 0.219 0.000 1.006 1622 L CA -1.049 53.904 54.840 0.188 0.000 0.817 1622 L CB 2.025 44.178 42.059 0.156 0.000 1.272 1622 L HN 0.394 nan 8.230 nan 0.000 0.421 1623 R N 1.463 122.056 120.500 0.155 0.000 2.393 1623 R HA 0.337 4.796 4.340 0.198 0.000 0.310 1623 R C -0.443 175.810 176.300 -0.079 0.000 0.968 1623 R CA -0.334 55.778 56.100 0.020 0.000 0.867 1623 R CB 1.848 32.073 30.300 -0.126 0.000 1.124 1623 R HN 0.647 nan 8.270 nan 0.000 0.450 1624 S N 3.905 119.459 115.700 -0.243 0.000 2.465 1624 S HA 0.212 4.801 4.470 0.198 0.000 0.280 1624 S C -0.166 174.252 174.600 -0.303 0.000 1.232 1624 S CA -0.584 57.273 58.200 -0.571 0.000 1.066 1624 S CB -0.036 62.825 63.200 -0.566 0.000 0.929 1624 S HN 0.409 nan 8.310 nan 0.000 0.494 1625 V N 3.817 123.572 119.914 -0.265 0.000 2.769 1625 V HA 0.754 4.993 4.120 0.198 0.000 0.312 1625 V C -2.921 173.086 176.094 -0.145 0.000 1.061 1625 V CA -2.979 59.224 62.300 -0.161 0.000 0.931 1625 V CB 1.288 33.048 31.823 -0.105 0.000 1.010 1625 V HN 0.570 nan 8.190 nan 0.000 0.433 1626 P HA 0.281 nan 4.420 nan 0.000 0.267 1626 P C 0.307 177.563 177.300 -0.074 0.000 1.205 1626 P CA -0.118 62.929 63.100 -0.087 0.000 0.765 1626 P CB 0.834 32.494 31.700 -0.067 0.000 0.828 1627 R N 4.180 124.638 120.500 -0.070 0.000 2.091 1627 R HA -0.117 4.342 4.340 0.198 0.000 0.238 1627 R C 2.154 178.427 176.300 -0.045 0.000 1.136 1627 R CA 2.510 58.576 56.100 -0.057 0.000 0.959 1627 R CB -1.395 28.875 30.300 -0.051 0.000 0.856 1627 R HN 0.624 nan 8.270 nan 0.000 0.437 1628 G N -0.758 108.018 108.800 -0.041 0.000 2.394 1628 G HA2 -0.130 3.949 3.960 0.198 0.000 0.214 1628 G HA3 -0.130 3.949 3.960 0.198 0.000 0.214 1628 G C 1.506 176.387 174.900 -0.032 0.000 1.176 1628 G CA 0.556 45.636 45.100 -0.033 0.000 0.786 1628 G HN 0.469 nan 8.290 nan 0.000 0.533 1629 A N 0.556 123.355 122.820 -0.035 0.000 2.067 1629 A HA 0.134 4.573 4.320 0.198 0.000 0.219 1629 A C 2.315 179.880 177.584 -0.033 0.000 1.158 1629 A CA 1.357 53.374 52.037 -0.033 0.000 0.661 1629 A CB -0.315 18.663 19.000 -0.036 0.000 0.801 1629 A HN 0.543 nan 8.150 nan 0.000 0.452 1630 L N -0.736 120.465 121.223 -0.038 0.000 2.093 1630 L HA -0.120 4.339 4.340 0.198 0.000 0.208 1630 L C 2.464 179.317 176.870 -0.028 0.000 1.085 1630 L CA 2.072 56.892 54.840 -0.034 0.000 0.755 1630 L CB -0.334 41.700 42.059 -0.041 0.000 0.904 1630 L HN 0.435 nan 8.230 nan 0.000 0.435 1631 R N -0.166 120.317 120.500 -0.029 0.000 2.073 1631 R HA -0.129 4.329 4.340 0.198 0.000 0.234 1631 R C 2.066 178.354 176.300 -0.020 0.000 1.134 1631 R CA 2.012 58.097 56.100 -0.025 0.000 0.952 1631 R CB -0.437 29.848 30.300 -0.025 0.000 0.850 1631 R HN 0.374 nan 8.270 nan 0.000 0.433 1632 V N 0.673 120.575 119.914 -0.020 0.000 2.219 1632 V HA -0.284 3.954 4.120 0.198 0.000 0.248 1632 V C 2.502 178.588 176.094 -0.013 0.000 1.053 1632 V CA 2.029 64.319 62.300 -0.016 0.000 1.009 1632 V CB -0.486 31.327 31.823 -0.018 0.000 0.636 1632 V HN 0.222 nan 8.190 nan 0.000 0.445 1633 V N -0.141 119.764 119.914 -0.014 0.000 2.252 1633 V HA -0.311 3.927 4.120 0.198 0.000 0.249 1633 V C 2.337 178.428 176.094 -0.005 0.000 1.056 1633 V CA 2.316 64.610 62.300 -0.010 0.000 1.022 1633 V CB -0.689 31.128 31.823 -0.011 0.000 0.641 1633 V HN 0.452 nan 8.190 nan 0.000 0.445 1634 L N -0.718 120.500 121.223 -0.009 0.000 2.083 1634 L HA -0.251 4.207 4.340 0.198 0.000 0.209 1634 L C 2.603 179.470 176.870 -0.005 0.000 1.083 1634 L CA 1.736 56.572 54.840 -0.008 0.000 0.752 1634 L CB -0.619 41.430 42.059 -0.017 0.000 0.899 1634 L HN 0.406 nan 8.230 nan 0.000 0.433 1635 Q N -0.945 118.851 119.800 -0.008 0.000 2.378 1635 Q HA -0.021 4.438 4.340 0.198 0.000 0.205 1635 Q C 0.587 176.586 176.000 -0.002 0.000 0.954 1635 Q CA 0.606 56.406 55.803 -0.006 0.000 0.901 1635 Q CB 0.208 28.941 28.738 -0.009 0.000 0.981 1635 Q HN 0.479 nan 8.270 nan 0.000 0.483 1636 T N 0.000 114.554 114.554 -0.001 0.000 3.816 1636 T HA 0.000 4.469 4.350 0.198 0.000 0.228 1636 T CA 0.000 62.101 62.100 0.002 0.000 1.349 1636 T CB 0.000 68.867 68.868 -0.002 0.000 0.612 1636 T HN 0.000 nan 8.240 nan 0.000 0.658