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 2iok_1_B DATA FIRST_RESID 1306 DATA SEQUENCE LALSLTADQM VSALLDAEPP ILYSEYDPTR XXXXASMMGL LTNLADRELV DATA SEQUENCE HMINWAKRVP GFVDLTLHDQ VHLLECAWLE ILMIGLVWRS MEHPGKLLFA DATA SEQUENCE PNLLLDRNQG KCVEGMVEIF DMLLATSSRF RMMNLQGEEF VCLKSIILLN DATA SEQUENCE SGVYTFLSST LKSLEEKDHI HRVLDKITDT LIHLMAKAGL TLQQQHQRLA DATA SEQUENCE QLLLILSHIR HMSNKGMEHL YSXXXXXXXP LYDLLLEML 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 1306 L HA 0.000 nan 4.340 nan 0.000 0.249 1306 L C 0.000 176.894 176.870 0.041 0.000 1.165 1306 L CA 0.000 54.858 54.840 0.030 0.000 0.813 1306 L CB 0.000 42.080 42.059 0.035 0.000 0.961 1307 A N 1.140 123.998 122.820 0.063 0.000 1.948 1307 A HA -0.006 4.314 4.320 0.000 0.000 0.220 1307 A C 1.328 178.928 177.584 0.026 0.000 1.177 1307 A CA 2.035 54.094 52.037 0.037 0.000 0.636 1307 A CB -1.066 17.953 19.000 0.032 0.000 0.815 1307 A HN 0.613 nan 8.150 nan 0.000 0.449 1308 L N -0.314 120.943 121.223 0.056 0.000 2.912 1308 L HA 0.178 4.518 4.340 0.000 0.000 0.246 1308 L C 1.046 177.932 176.870 0.025 0.000 1.371 1308 L CA 0.151 55.015 54.840 0.041 0.000 1.196 1308 L CB -0.297 41.809 42.059 0.078 0.000 1.596 1308 L HN 0.265 nan 8.230 nan 0.000 0.429 1309 S N -1.517 114.190 115.700 0.012 0.000 2.391 1309 S HA 0.251 4.721 4.470 0.000 0.000 0.275 1309 S C 0.638 175.235 174.600 -0.006 0.000 1.032 1309 S CA -0.491 57.712 58.200 0.004 0.000 1.421 1309 S CB 0.440 63.644 63.200 0.007 0.000 1.176 1309 S HN 0.199 nan 8.310 nan 0.000 0.615 1310 L N 2.647 123.865 121.223 -0.008 0.000 2.503 1310 L HA 0.122 4.463 4.340 0.000 0.000 0.287 1310 L C 0.496 177.345 176.870 -0.035 0.000 1.252 1310 L CA 0.651 55.480 54.840 -0.019 0.000 0.835 1310 L CB 0.411 42.459 42.059 -0.019 0.000 1.099 1310 L HN 0.250 nan 8.230 nan 0.000 0.516 1311 T N -0.040 114.485 114.554 -0.049 0.000 2.949 1311 T HA 0.404 4.754 4.350 0.000 0.000 0.287 1311 T C 0.934 175.557 174.700 -0.128 0.000 1.034 1311 T CA -0.126 61.922 62.100 -0.086 0.000 1.018 1311 T CB 1.719 70.540 68.868 -0.079 0.000 1.135 1311 T HN 0.655 nan 8.240 nan 0.000 0.532 1312 A N 1.250 123.918 122.820 -0.253 0.000 1.865 1312 A HA -0.164 4.156 4.320 0.000 0.000 0.217 1312 A C 1.903 179.381 177.584 -0.177 0.000 1.191 1312 A CA 2.018 53.851 52.037 -0.340 0.000 0.623 1312 A CB -1.000 17.397 19.000 -1.006 0.000 0.826 1312 A HN 0.890 nan 8.150 nan 0.000 0.444 1313 D N 0.041 120.347 120.400 -0.157 0.000 2.126 1313 D HA -0.243 4.398 4.640 0.000 0.000 0.190 1313 D C 2.064 178.360 176.300 -0.005 0.000 1.001 1313 D CA 1.920 55.917 54.000 -0.006 0.000 0.841 1313 D CB -0.804 40.006 40.800 0.017 0.000 0.949 1313 D HN 0.722 nan 8.370 nan 0.000 0.446 1314 Q N -0.320 119.464 119.800 -0.027 0.000 2.046 1314 Q HA -0.067 4.273 4.340 0.000 0.000 0.200 1314 Q C 2.317 178.310 176.000 -0.011 0.000 0.975 1314 Q CA 1.124 56.919 55.803 -0.013 0.000 0.836 1314 Q CB -0.224 28.504 28.738 -0.017 0.000 0.896 1314 Q HN 0.249 nan 8.270 nan 0.000 0.428 1315 M N 0.819 120.403 119.600 -0.026 0.000 2.080 1315 M HA -0.173 4.307 4.480 0.000 0.000 0.260 1315 M C 1.925 178.224 176.300 -0.002 0.000 1.068 1315 M CA 1.500 56.789 55.300 -0.019 0.000 1.109 1315 M CB -0.195 32.386 32.600 -0.031 0.000 1.342 1315 M HN 0.017 nan 8.290 nan 0.000 0.405 1316 V N -0.140 119.777 119.914 0.006 0.000 2.233 1316 V HA -0.289 3.831 4.120 0.000 0.000 0.247 1316 V C 2.534 178.645 176.094 0.029 0.000 1.050 1316 V CA 2.206 64.519 62.300 0.022 0.000 1.010 1316 V CB -1.884 29.963 31.823 0.041 0.000 0.637 1316 V HN 0.767 nan 8.190 nan 0.000 0.444 1317 S N 0.858 116.576 115.700 0.030 0.000 2.377 1317 S HA -0.306 4.164 4.470 0.000 0.000 0.224 1317 S C 2.060 176.681 174.600 0.035 0.000 1.042 1317 S CA 2.334 60.554 58.200 0.033 0.000 1.086 1317 S CB -0.677 62.540 63.200 0.028 0.000 0.995 1317 S HN 0.714 nan 8.310 nan 0.000 0.428 1318 A N 0.721 123.556 122.820 0.026 0.000 2.125 1318 A HA 0.126 4.446 4.320 0.000 0.000 0.219 1318 A C 2.272 179.880 177.584 0.040 0.000 1.156 1318 A CA 1.230 53.283 52.037 0.026 0.000 0.671 1318 A CB -0.583 18.423 19.000 0.009 0.000 0.794 1318 A HN 0.621 nan 8.150 nan 0.000 0.459 1319 L N -1.135 120.116 121.223 0.047 0.000 2.162 1319 L HA -0.036 4.304 4.340 0.000 0.000 0.205 1319 L C 2.384 179.321 176.870 0.111 0.000 1.086 1319 L CA 0.666 55.555 54.840 0.082 0.000 0.778 1319 L CB -0.348 41.743 42.059 0.054 0.000 0.928 1319 L HN 0.395 nan 8.230 nan 0.000 0.446 1320 L N -0.513 120.754 121.223 0.074 0.000 2.056 1320 L HA -0.233 4.108 4.340 0.000 0.000 0.207 1320 L C 1.986 178.907 176.870 0.085 0.000 1.078 1320 L CA 1.303 56.187 54.840 0.074 0.000 0.749 1320 L CB -0.658 41.436 42.059 0.058 0.000 0.901 1320 L HN 0.204 nan 8.230 nan 0.000 0.433 1321 D N 0.557 121.003 120.400 0.077 0.000 2.126 1321 D HA -0.236 4.404 4.640 0.000 0.000 0.190 1321 D C 2.101 178.463 176.300 0.103 0.000 1.001 1321 D CA 1.769 55.814 54.000 0.075 0.000 0.841 1321 D CB -0.092 40.742 40.800 0.056 0.000 0.949 1321 D HN 0.339 nan 8.370 nan 0.000 0.446 1322 A N 0.402 123.306 122.820 0.141 0.000 2.239 1322 A HA -0.059 4.261 4.320 0.000 0.000 0.209 1322 A C 0.622 178.409 177.584 0.339 0.000 1.171 1322 A CA 0.400 52.571 52.037 0.223 0.000 0.768 1322 A CB -0.130 18.994 19.000 0.206 0.000 0.790 1322 A HN 0.036 nan 8.150 nan 0.000 0.478 1323 E N 1.317 121.640 120.200 0.206 0.000 2.481 1323 E HA 0.137 4.488 4.350 0.000 0.000 0.263 1323 E C -2.082 174.572 176.600 0.091 0.000 0.992 1323 E CA -1.256 55.202 56.400 0.097 0.000 0.938 1323 E CB 0.093 29.836 29.700 0.071 0.000 0.933 1323 E HN 0.315 nan 8.360 nan 0.000 0.453 1324 P HA 0.253 nan 4.420 nan 0.000 0.275 1324 P C -2.349 174.963 177.300 0.020 0.000 1.266 1324 P CA -1.073 62.059 63.100 0.052 0.000 0.793 1324 P CB -0.382 31.317 31.700 -0.001 0.000 1.074 1325 P HA 0.286 nan 4.420 nan 0.000 0.285 1325 P C -0.514 176.763 177.300 -0.039 0.000 1.269 1325 P CA -0.482 62.604 63.100 -0.024 0.000 0.844 1325 P CB 0.511 32.188 31.700 -0.040 0.000 1.094 1326 I N 1.709 122.296 120.570 0.028 0.000 2.587 1326 I HA 0.049 4.219 4.170 0.000 0.000 0.284 1326 I C 0.725 176.920 176.117 0.130 0.000 1.134 1326 I CA -0.003 61.345 61.300 0.080 0.000 1.410 1326 I CB -1.337 36.766 38.000 0.172 0.000 1.392 1326 I HN 0.179 nan 8.210 nan 0.000 0.545 1327 L N 7.300 128.566 121.223 0.072 0.000 2.317 1327 L HA 0.409 4.749 4.340 0.000 0.000 0.281 1327 L C -0.779 176.192 176.870 0.170 0.000 1.024 1327 L CA -0.890 54.013 54.840 0.105 0.000 0.810 1327 L CB 1.026 43.075 42.059 -0.016 0.000 1.240 1327 L HN 0.309 nan 8.230 nan 0.000 0.427 1328 Y N 1.054 121.339 120.300 -0.026 0.000 2.330 1328 Y HA 0.261 4.811 4.550 0.000 0.000 0.336 1328 Y C 0.852 176.750 175.900 -0.003 0.000 1.036 1328 Y CA -0.184 57.909 58.100 -0.011 0.000 1.125 1328 Y CB 2.014 40.456 38.460 -0.029 0.000 1.194 1328 Y HN 0.597 nan 8.280 nan 0.000 0.469 1329 S N 1.595 117.359 115.700 0.106 0.000 2.592 1329 S HA 0.089 4.559 4.470 0.000 0.000 0.256 1329 S C -0.206 174.416 174.600 0.038 0.000 1.369 1329 S CA -0.138 58.130 58.200 0.114 0.000 0.984 1329 S CB 0.263 63.604 63.200 0.236 0.000 0.919 1329 S HN 0.723 nan 8.310 nan 0.000 0.576 1330 E N 1.190 121.414 120.200 0.040 0.000 3.132 1330 E HA 0.299 4.650 4.350 0.000 0.000 0.241 1330 E C -1.518 175.085 176.600 0.006 0.000 1.196 1330 E CA -0.322 56.051 56.400 -0.044 0.000 0.869 1330 E CB 0.661 30.359 29.700 -0.003 0.000 1.387 1330 E HN 0.574 nan 8.360 nan 0.000 0.393 1331 Y N -1.847 118.468 120.300 0.025 0.000 2.587 1331 Y HA 0.593 5.144 4.550 0.000 0.000 0.337 1331 Y C 0.147 176.058 175.900 0.018 0.000 1.065 1331 Y CA -1.732 56.379 58.100 0.018 0.000 1.126 1331 Y CB 0.728 39.199 38.460 0.018 0.000 1.279 1331 Y HN -0.078 nan 8.280 nan 0.000 0.489 1332 D N 2.588 123.131 120.400 0.240 0.000 2.368 1332 D HA 0.132 4.772 4.640 0.000 0.000 0.268 1332 D C -1.764 174.652 176.300 0.194 0.000 1.298 1332 D CA -1.750 52.336 54.000 0.143 0.000 0.938 1332 D CB 1.078 41.941 40.800 0.104 0.000 1.101 1332 D HN 0.427 nan 8.370 nan 0.000 0.509 1333 P HA -0.003 nan 4.420 nan 0.000 0.225 1333 P C 0.597 177.948 177.300 0.084 0.000 1.156 1333 P CA 0.543 63.705 63.100 0.104 0.000 0.787 1333 P CB 0.339 32.043 31.700 0.006 0.000 0.802 1334 T N -0.734 113.856 114.554 0.060 0.000 3.393 1334 T HA 0.309 4.660 4.350 0.000 0.000 0.248 1334 T C 0.830 175.559 174.700 0.048 0.000 0.992 1334 T CA 0.093 62.220 62.100 0.044 0.000 0.929 1334 T CB -0.710 68.175 68.868 0.028 0.000 1.065 1334 T HN 0.157 nan 8.240 nan 0.000 0.597 1341 S N 0.593 116.295 115.700 0.004 0.000 2.537 1341 S HA 0.560 5.030 4.470 0.000 0.000 0.301 1341 S C 0.879 175.474 174.600 -0.008 0.000 1.092 1341 S CA -0.550 57.648 58.200 -0.003 0.000 1.048 1341 S CB 1.164 64.365 63.200 0.000 0.000 1.053 1341 S HN 0.766 nan 8.310 nan 0.000 0.501 1342 M N 3.328 122.921 119.600 -0.012 0.000 2.248 1342 M HA 0.170 4.651 4.480 0.000 0.000 0.265 1342 M C 1.671 177.958 176.300 -0.021 0.000 1.079 1342 M CA 1.308 56.602 55.300 -0.010 0.000 1.150 1342 M CB -1.030 31.570 32.600 0.000 0.000 1.366 1342 M HN 0.802 nan 8.290 nan 0.000 0.433 1343 M N 0.048 119.638 119.600 -0.016 0.000 2.200 1343 M HA -0.043 4.438 4.480 0.000 0.000 0.261 1343 M C 2.057 178.345 176.300 -0.020 0.000 1.074 1343 M CA 2.431 57.722 55.300 -0.015 0.000 1.098 1343 M CB -1.605 30.991 32.600 -0.007 0.000 1.268 1343 M HN 0.332 nan 8.290 nan 0.000 0.432 1344 G N 0.078 108.871 108.800 -0.011 0.000 2.475 1344 G HA2 -0.220 3.740 3.960 0.000 0.000 0.220 1344 G HA3 -0.220 3.740 3.960 0.000 0.000 0.220 1344 G C 1.393 176.284 174.900 -0.015 0.000 1.125 1344 G CA 1.018 46.114 45.100 -0.007 0.000 0.755 1344 G HN 0.450 nan 8.290 nan 0.000 0.565 1345 L N 0.012 121.220 121.223 -0.025 0.000 2.275 1345 L HA 0.183 4.523 4.340 0.000 0.000 0.215 1345 L C 2.649 179.450 176.870 -0.116 0.000 1.119 1345 L CA 1.009 55.823 54.840 -0.043 0.000 0.790 1345 L CB -0.478 41.555 42.059 -0.043 0.000 0.919 1345 L HN 0.240 nan 8.230 nan 0.000 0.443 1346 L N -2.311 118.838 121.223 -0.123 0.000 2.145 1346 L HA -0.081 4.259 4.340 0.000 0.000 0.201 1346 L C 2.248 179.071 176.870 -0.079 0.000 1.075 1346 L CA 0.847 55.585 54.840 -0.171 0.000 0.773 1346 L CB -0.720 41.263 42.059 -0.127 0.000 0.936 1346 L HN 0.100 nan 8.230 nan 0.000 0.451 1347 T N -0.148 114.386 114.554 -0.033 0.000 2.607 1347 T HA -0.242 4.108 4.350 0.000 0.000 0.267 1347 T C 1.729 176.424 174.700 -0.007 0.000 1.049 1347 T CA 1.772 63.868 62.100 -0.006 0.000 1.162 1347 T CB -0.419 68.446 68.868 -0.004 0.000 0.863 1347 T HN 0.293 nan 8.240 nan 0.000 0.424 1348 N N 1.083 119.777 118.700 -0.011 0.000 2.005 1348 N HA -0.152 4.588 4.740 0.000 0.000 0.199 1348 N C 1.962 177.476 175.510 0.007 0.000 1.054 1348 N CA 1.908 54.958 53.050 0.000 0.000 0.864 1348 N CB -0.351 38.140 38.487 0.006 0.000 1.063 1348 N HN 0.366 nan 8.380 nan 0.000 0.428 1349 L N 0.449 121.670 121.223 -0.004 0.000 2.341 1349 L HA 0.184 4.524 4.340 0.000 0.000 0.214 1349 L C 2.204 179.088 176.870 0.023 0.000 1.115 1349 L CA 1.349 56.194 54.840 0.009 0.000 0.820 1349 L CB -0.294 41.759 42.059 -0.010 0.000 0.944 1349 L HN 0.146 nan 8.230 nan 0.000 0.452 1350 A N 0.031 122.862 122.820 0.018 0.000 1.877 1350 A HA -0.196 4.124 4.320 0.000 0.000 0.216 1350 A C 1.857 179.482 177.584 0.068 0.000 1.186 1350 A CA 1.759 53.838 52.037 0.070 0.000 0.620 1350 A CB -0.855 18.208 19.000 0.105 0.000 0.822 1350 A HN 0.511 nan 8.150 nan 0.000 0.443 1351 D N 0.033 120.452 120.400 0.031 0.000 2.230 1351 D HA -0.236 4.405 4.640 0.000 0.000 0.189 1351 D C 2.090 178.421 176.300 0.052 0.000 1.006 1351 D CA 2.045 56.053 54.000 0.013 0.000 0.853 1351 D CB -0.515 40.288 40.800 0.004 0.000 0.959 1351 D HN 0.597 nan 8.370 nan 0.000 0.449 1352 R N 0.586 121.131 120.500 0.075 0.000 2.152 1352 R HA -0.035 4.305 4.340 0.000 0.000 0.232 1352 R C 2.159 178.585 176.300 0.210 0.000 1.117 1352 R CA 0.816 57.002 56.100 0.143 0.000 0.981 1352 R CB -0.266 30.105 30.300 0.117 0.000 0.870 1352 R HN 0.346 nan 8.270 nan 0.000 0.451 1353 E N 1.071 121.349 120.200 0.129 0.000 2.208 1353 E HA -0.049 4.301 4.350 0.000 0.000 0.193 1353 E C 1.970 178.668 176.600 0.162 0.000 0.988 1353 E CA 0.323 56.799 56.400 0.126 0.000 0.828 1353 E CB 0.132 29.886 29.700 0.089 0.000 0.763 1353 E HN 0.306 nan 8.360 nan 0.000 0.478 1354 L N 0.146 121.451 121.223 0.137 0.000 1.976 1354 L HA -0.206 4.134 4.340 0.000 0.000 0.209 1354 L C 2.464 179.391 176.870 0.095 0.000 1.071 1354 L CA 0.987 55.889 54.840 0.104 0.000 0.746 1354 L CB -0.466 41.608 42.059 0.024 0.000 0.890 1354 L HN 0.076 nan 8.230 nan 0.000 0.432 1355 V N -0.457 119.499 119.914 0.069 0.000 2.370 1355 V HA -0.346 3.774 4.120 0.000 0.000 0.252 1355 V C 2.078 178.126 176.094 -0.078 0.000 1.068 1355 V CA 2.052 64.332 62.300 -0.034 0.000 1.061 1355 V CB -0.900 30.858 31.823 -0.109 0.000 0.656 1355 V HN 0.518 nan 8.190 nan 0.000 0.455 1356 H N -2.408 116.697 119.070 0.057 0.000 2.548 1356 H HA 0.160 4.716 4.556 0.000 0.000 0.265 1356 H C 1.897 177.302 175.328 0.129 0.000 0.969 1356 H CA 0.542 56.637 56.048 0.078 0.000 1.155 1356 H CB 0.003 29.804 29.762 0.064 0.000 1.394 1356 H HN 0.310 nan 8.280 nan 0.000 0.570 1357 M N 0.128 119.867 119.600 0.231 0.000 2.064 1357 M HA -0.136 4.345 4.480 0.000 0.000 0.260 1357 M C 1.648 178.115 176.300 0.278 0.000 1.073 1357 M CA 1.691 57.167 55.300 0.293 0.000 1.124 1357 M CB -0.103 32.633 32.600 0.227 0.000 1.326 1357 M HN 0.259 nan 8.290 nan 0.000 0.410 1358 I N 1.101 121.746 120.570 0.124 0.000 2.181 1358 I HA -0.416 3.754 4.170 0.000 0.000 0.247 1358 I C 1.848 177.974 176.117 0.016 0.000 1.081 1358 I CA 1.454 62.775 61.300 0.034 0.000 1.340 1358 I CB -0.760 37.249 38.000 0.015 0.000 1.036 1358 I HN 0.426 nan 8.210 nan 0.000 0.417 1359 N N -0.727 118.007 118.700 0.057 0.000 2.409 1359 N HA -0.169 4.572 4.740 0.000 0.000 0.179 1359 N C 1.493 177.064 175.510 0.101 0.000 1.032 1359 N CA 1.111 54.192 53.050 0.052 0.000 0.898 1359 N CB -0.156 38.354 38.487 0.038 0.000 0.971 1359 N HN 0.605 nan 8.380 nan 0.000 0.441 1360 W N 2.049 123.325 121.300 -0.040 0.000 2.525 1360 W HA 0.224 4.884 4.660 0.000 0.000 0.288 1360 W C 2.243 178.678 176.519 -0.140 0.000 1.200 1360 W CA 1.159 58.467 57.345 -0.060 0.000 1.349 1360 W CB -0.406 29.028 29.460 -0.043 0.000 1.102 1360 W HN -0.026 nan 8.180 nan 0.000 0.558 1361 A N 1.615 124.066 122.820 -0.615 0.000 1.884 1361 A HA -0.305 4.015 4.320 0.000 0.000 0.219 1361 A C 1.905 178.941 177.584 -0.913 0.000 1.197 1361 A CA 2.536 53.825 52.037 -1.246 0.000 0.637 1361 A CB -0.989 17.422 19.000 -0.982 0.000 0.827 1361 A HN 0.417 nan 8.150 nan 0.000 0.450 1362 K N -0.799 119.367 120.400 -0.390 0.000 2.360 1362 K HA -0.078 4.242 4.320 0.000 0.000 0.201 1362 K C 1.847 178.370 176.600 -0.128 0.000 1.046 1362 K CA 1.071 57.303 56.287 -0.090 0.000 0.945 1362 K CB -0.081 32.412 32.500 -0.011 0.000 0.750 1362 K HN 0.403 nan 8.250 nan 0.000 0.464 1363 R N 0.433 120.784 120.500 -0.248 0.000 2.300 1363 R HA 0.086 4.426 4.340 0.000 0.000 0.199 1363 R C 0.025 176.172 176.300 -0.255 0.000 0.920 1363 R CA 0.098 56.087 56.100 -0.184 0.000 1.046 1363 R CB 0.241 30.476 30.300 -0.109 0.000 0.984 1363 R HN -0.047 nan 8.270 nan 0.000 0.493 1364 V N 4.338 123.984 119.914 -0.446 0.000 2.521 1364 V HA 0.081 4.202 4.120 0.000 0.000 0.286 1364 V C -2.074 173.942 176.094 -0.131 0.000 1.034 1364 V CA -1.521 60.556 62.300 -0.372 0.000 1.045 1364 V CB 0.684 32.160 31.823 -0.578 0.000 0.974 1364 V HN -0.005 nan 8.190 nan 0.000 0.480 1365 P HA 0.234 nan 4.420 nan 0.000 0.266 1365 P C 0.995 178.305 177.300 0.017 0.000 1.215 1365 P CA 1.297 64.385 63.100 -0.020 0.000 0.763 1365 P CB 0.603 32.289 31.700 -0.024 0.000 0.806 1366 G N 3.013 111.862 108.800 0.081 0.000 2.268 1366 G HA2 -0.382 3.578 3.960 0.000 0.000 0.240 1366 G HA3 -0.382 3.578 3.960 0.000 0.000 0.240 1366 G C 0.858 175.857 174.900 0.164 0.000 1.010 1366 G CA 0.157 45.368 45.100 0.184 0.000 0.618 1366 G HN 0.487 nan 8.290 nan 0.000 0.516 1367 F N 2.154 122.076 119.950 -0.047 0.000 2.269 1367 F HA 0.028 4.555 4.527 0.000 0.000 0.301 1367 F C 2.568 178.337 175.800 -0.051 0.000 1.082 1367 F CA 2.556 60.513 58.000 -0.071 0.000 1.360 1367 F CB 0.050 38.951 39.000 -0.166 0.000 1.041 1367 F HN 0.189 nan 8.300 nan 0.000 0.512 1368 V N -0.994 118.958 119.914 0.063 0.000 2.407 1368 V HA -0.201 3.919 4.120 0.000 0.000 0.245 1368 V C 1.866 177.909 176.094 -0.085 0.000 1.041 1368 V CA 1.638 63.927 62.300 -0.018 0.000 1.040 1368 V CB -1.033 30.800 31.823 0.017 0.000 0.671 1368 V HN 0.100 nan 8.190 nan 0.000 0.455 1369 D N 0.918 121.289 120.400 -0.049 0.000 2.239 1369 D HA -0.122 4.518 4.640 0.000 0.000 0.202 1369 D C 1.364 177.559 176.300 -0.174 0.000 0.993 1369 D CA 0.942 54.869 54.000 -0.121 0.000 0.874 1369 D CB -0.481 40.232 40.800 -0.144 0.000 0.922 1369 D HN 0.376 nan 8.370 nan 0.000 0.464 1370 L N -0.204 120.926 121.223 -0.156 0.000 2.172 1370 L HA -0.040 4.300 4.340 0.000 0.000 0.176 1370 L C 0.847 177.584 176.870 -0.221 0.000 0.986 1370 L CA 0.599 55.309 54.840 -0.218 0.000 0.936 1370 L CB -0.261 41.570 42.059 -0.380 0.000 1.222 1370 L HN -0.010 nan 8.230 nan 0.000 0.542 1371 T N -0.424 113.977 114.554 -0.254 0.000 2.908 1371 T HA 0.264 4.614 4.350 0.000 0.000 0.290 1371 T C 0.489 175.068 174.700 -0.201 0.000 1.034 1371 T CA -0.613 61.368 62.100 -0.198 0.000 1.010 1371 T CB 1.989 70.746 68.868 -0.185 0.000 1.068 1371 T HN 0.335 nan 8.240 nan 0.000 0.481 1372 L N 1.740 122.887 121.223 -0.127 0.000 2.275 1372 L HA 0.042 4.383 4.340 0.000 0.000 0.215 1372 L C 2.027 178.836 176.870 -0.101 0.000 1.119 1372 L CA 1.996 56.766 54.840 -0.117 0.000 0.790 1372 L CB -0.664 41.350 42.059 -0.075 0.000 0.919 1372 L HN 0.842 nan 8.230 nan 0.000 0.443 1373 H N -1.259 117.724 119.070 -0.145 0.000 2.403 1373 H HA -0.054 4.503 4.556 0.000 0.000 0.298 1373 H C 1.551 176.789 175.328 -0.151 0.000 1.059 1373 H CA 1.674 57.668 56.048 -0.090 0.000 1.363 1373 H CB 0.184 29.913 29.762 -0.055 0.000 1.410 1373 H HN 0.298 nan 8.280 nan 0.000 0.528 1374 D N -0.188 120.049 120.400 -0.271 0.000 2.317 1374 D HA -0.076 4.565 4.640 0.000 0.000 0.211 1374 D C 1.634 177.729 176.300 -0.342 0.000 0.966 1374 D CA 0.687 54.373 54.000 -0.524 0.000 0.876 1374 D CB 0.059 40.391 40.800 -0.780 0.000 0.927 1374 D HN 0.564 nan 8.370 nan 0.000 0.519 1375 Q N -0.474 119.121 119.800 -0.342 0.000 2.354 1375 Q HA 0.058 4.398 4.340 0.000 0.000 0.203 1375 Q C 1.879 177.873 176.000 -0.011 0.000 0.933 1375 Q CA 0.273 55.848 55.803 -0.381 0.000 0.901 1375 Q CB 0.738 29.148 28.738 -0.547 0.000 1.007 1375 Q HN 0.102 nan 8.270 nan 0.000 0.495 1376 V N -0.307 119.550 119.914 -0.095 0.000 3.052 1376 V HA -0.148 3.973 4.120 0.000 0.000 0.254 1376 V C 1.794 177.896 176.094 0.013 0.000 1.100 1376 V CA 1.623 63.852 62.300 -0.120 0.000 1.112 1376 V CB -0.240 31.334 31.823 -0.415 0.000 0.738 1376 V HN 0.395 nan 8.190 nan 0.000 0.469 1377 H N 0.113 119.161 119.070 -0.037 0.000 2.317 1377 H HA 0.001 4.558 4.556 0.000 0.000 0.304 1377 H C 2.004 177.434 175.328 0.170 0.000 1.067 1377 H CA 1.588 57.689 56.048 0.088 0.000 1.352 1377 H CB -0.137 29.662 29.762 0.061 0.000 1.398 1377 H HN 0.231 nan 8.280 nan 0.000 0.510 1378 L N 0.328 121.623 121.223 0.119 0.000 1.950 1378 L HA -0.284 4.056 4.340 0.000 0.000 0.233 1378 L C 2.590 179.536 176.870 0.127 0.000 1.090 1378 L CA 1.929 56.853 54.840 0.139 0.000 0.809 1378 L CB -0.949 41.307 42.059 0.330 0.000 0.905 1378 L HN 0.356 nan 8.230 nan 0.000 0.439 1379 L N -0.543 120.807 121.223 0.212 0.000 2.151 1379 L HA -0.294 4.047 4.340 0.000 0.000 0.215 1379 L C 2.514 179.525 176.870 0.235 0.000 1.084 1379 L CA 1.408 56.372 54.840 0.208 0.000 0.764 1379 L CB -0.557 41.609 42.059 0.179 0.000 0.891 1379 L HN 0.454 nan 8.230 nan 0.000 0.435 1380 E N -1.235 119.069 120.200 0.173 0.000 2.358 1380 E HA -0.151 4.200 4.350 0.000 0.000 0.195 1380 E C 2.042 178.827 176.600 0.309 0.000 1.010 1380 E CA 0.599 57.139 56.400 0.233 0.000 0.856 1380 E CB 0.193 30.011 29.700 0.197 0.000 0.795 1380 E HN 0.550 nan 8.360 nan 0.000 0.504 1381 C N -0.892 118.490 119.300 0.138 0.000 2.535 1381 C HA 0.320 4.780 4.460 0.000 0.000 0.310 1381 C C 2.200 177.226 174.990 0.059 0.000 1.344 1381 C CA 0.539 59.587 59.018 0.050 0.000 1.831 1381 C CB 0.193 27.846 27.740 -0.145 0.000 2.284 1381 C HN 0.446 nan 8.230 nan 0.000 0.523 1382 A N 1.083 123.965 122.820 0.103 0.000 2.307 1382 A HA 0.097 4.417 4.320 0.000 0.000 0.218 1382 A C 1.752 179.402 177.584 0.110 0.000 1.228 1382 A CA 0.105 52.190 52.037 0.080 0.000 0.857 1382 A CB -0.613 18.453 19.000 0.111 0.000 0.897 1382 A HN 0.856 nan 8.150 nan 0.000 0.495 1383 W N -1.170 120.164 121.300 0.057 0.000 2.380 1383 W HA -0.129 4.532 4.660 0.001 0.000 0.317 1383 W C 1.132 177.683 176.519 0.054 0.000 1.196 1383 W CA 0.958 58.340 57.345 0.061 0.000 1.307 1383 W CB -1.316 28.182 29.460 0.064 0.000 1.157 1383 W HN 0.259 nan 8.180 nan 0.000 0.483 1384 L N 2.130 122.874 121.223 -0.798 0.000 2.131 1384 L HA -0.152 4.189 4.340 0.000 0.000 0.210 1384 L C 2.421 179.127 176.870 -0.273 0.000 1.092 1384 L CA 1.964 56.384 54.840 -0.701 0.000 0.759 1384 L CB -0.959 40.469 42.059 -1.052 0.000 0.903 1384 L HN 0.061 nan 8.230 nan 0.000 0.435 1385 E N -0.922 119.161 120.200 -0.194 0.000 2.208 1385 E HA -0.155 4.196 4.350 0.000 0.000 0.193 1385 E C 2.188 178.770 176.600 -0.030 0.000 0.988 1385 E CA 1.157 57.509 56.400 -0.081 0.000 0.828 1385 E CB -0.058 29.616 29.700 -0.043 0.000 0.763 1385 E HN 0.537 nan 8.360 nan 0.000 0.478 1386 I N 0.764 121.327 120.570 -0.013 0.000 2.500 1386 I HA -0.197 3.973 4.170 0.000 0.000 0.252 1386 I C 2.141 178.239 176.117 -0.030 0.000 1.142 1386 I CA 0.560 61.839 61.300 -0.036 0.000 1.451 1386 I CB -0.011 37.982 38.000 -0.013 0.000 1.093 1386 I HN 0.069 nan 8.210 nan 0.000 0.430 1387 L N -0.275 120.961 121.223 0.022 0.000 1.970 1387 L HA -0.262 4.078 4.340 0.000 0.000 0.212 1387 L C 2.667 179.571 176.870 0.056 0.000 1.071 1387 L CA 1.733 56.605 54.840 0.054 0.000 0.751 1387 L CB -0.552 41.562 42.059 0.092 0.000 0.889 1387 L HN 0.238 nan 8.230 nan 0.000 0.432 1388 M N -0.511 119.107 119.600 0.030 0.000 2.073 1388 M HA -0.301 4.179 4.480 0.000 0.000 0.258 1388 M C 2.321 178.672 176.300 0.085 0.000 1.070 1388 M CA 1.979 57.300 55.300 0.034 0.000 1.103 1388 M CB -0.427 32.170 32.600 -0.005 0.000 1.321 1388 M HN 0.240 nan 8.290 nan 0.000 0.405 1389 I N -0.113 120.519 120.570 0.104 0.000 3.001 1389 I HA -0.098 4.072 4.170 0.000 0.000 0.268 1389 I C 1.897 178.212 176.117 0.329 0.000 1.267 1389 I CA 0.866 62.287 61.300 0.201 0.000 1.472 1389 I CB -0.204 37.863 38.000 0.113 0.000 1.089 1389 I HN 0.235 nan 8.210 nan 0.000 0.468 1390 G N 0.748 109.683 108.800 0.225 0.000 2.408 1390 G HA2 -0.192 3.768 3.960 0.000 0.000 0.213 1390 G HA3 -0.192 3.768 3.960 0.000 0.000 0.213 1390 G C 1.427 176.433 174.900 0.177 0.000 1.177 1390 G CA 0.551 45.817 45.100 0.277 0.000 0.802 1390 G HN 0.365 nan 8.290 nan 0.000 0.533 1391 L N 1.126 122.407 121.223 0.097 0.000 1.990 1391 L HA -0.061 4.279 4.340 0.000 0.000 0.213 1391 L C 2.757 179.603 176.870 -0.039 0.000 1.072 1391 L CA 1.715 56.553 54.840 -0.004 0.000 0.755 1391 L CB -0.676 41.368 42.059 -0.025 0.000 0.889 1391 L HN 0.058 nan 8.230 nan 0.000 0.432 1392 V N -0.364 119.577 119.914 0.046 0.000 2.720 1392 V HA -0.287 3.833 4.120 0.000 0.000 0.256 1392 V C 2.040 178.214 176.094 0.132 0.000 1.082 1392 V CA 1.911 64.266 62.300 0.090 0.000 1.101 1392 V CB -0.851 31.104 31.823 0.220 0.000 0.693 1392 V HN 0.782 nan 8.190 nan 0.000 0.479 1393 W N 1.988 123.214 121.300 -0.124 0.000 2.523 1393 W HA -0.080 4.580 4.660 -0.000 0.000 0.278 1393 W C 2.238 178.580 176.519 -0.296 0.000 1.236 1393 W CA 0.978 58.131 57.345 -0.319 0.000 1.306 1393 W CB 0.066 29.054 29.460 -0.786 0.000 1.101 1393 W HN 0.297 nan 8.180 nan 0.000 0.577 1394 R N -0.105 120.158 120.500 -0.395 0.000 2.300 1394 R HA 0.171 4.511 4.340 0.000 0.000 0.199 1394 R C 1.532 177.613 176.300 -0.365 0.000 0.920 1394 R CA 0.736 56.545 56.100 -0.485 0.000 1.046 1394 R CB -0.451 29.672 30.300 -0.295 0.000 0.984 1394 R HN -0.141 nan 8.270 nan 0.000 0.493 1395 S N 0.694 116.230 115.700 -0.272 0.000 2.575 1395 S HA 0.207 4.678 4.470 0.000 0.000 0.215 1395 S C 1.485 176.029 174.600 -0.094 0.000 0.966 1395 S CA 0.037 58.118 58.200 -0.198 0.000 0.911 1395 S CB 0.056 63.133 63.200 -0.204 0.000 0.780 1395 S HN 0.265 nan 8.310 nan 0.000 0.514 1396 M N 0.878 120.392 119.600 -0.145 0.000 2.156 1396 M HA -0.037 4.443 4.480 0.000 0.000 0.264 1396 M C 1.172 177.417 176.300 -0.091 0.000 1.067 1396 M CA 1.374 56.601 55.300 -0.120 0.000 1.131 1396 M CB -0.246 32.211 32.600 -0.238 0.000 1.368 1396 M HN 0.243 nan 8.290 nan 0.000 0.416 1397 E N -0.874 119.284 120.200 -0.069 0.000 2.445 1397 E HA -0.028 4.322 4.350 0.000 0.000 0.189 1397 E C -0.502 175.862 176.600 -0.393 0.000 1.069 1397 E CA 0.206 56.493 56.400 -0.187 0.000 0.871 1397 E CB -0.032 29.526 29.700 -0.236 0.000 0.991 1397 E HN 0.534 nan 8.360 nan 0.000 0.481 1398 H N -0.208 118.782 119.070 -0.133 0.000 2.439 1398 H HA 0.228 4.784 4.556 0.000 0.000 0.230 1398 H C -2.625 172.646 175.328 -0.095 0.000 1.420 1398 H CA -2.426 53.555 56.048 -0.111 0.000 1.305 1398 H CB 0.158 29.842 29.762 -0.129 0.000 1.667 1398 H HN 0.022 nan 8.280 nan 0.000 0.515 1399 P HA 0.077 nan 4.420 nan 0.000 0.263 1399 P C 1.188 178.483 177.300 -0.009 0.000 1.195 1399 P CA 1.265 64.352 63.100 -0.023 0.000 0.762 1399 P CB 0.810 32.487 31.700 -0.038 0.000 0.799 1400 G N 2.260 111.058 108.800 -0.004 0.000 2.195 1400 G HA2 -0.229 3.731 3.960 0.000 0.000 0.246 1400 G HA3 -0.229 3.731 3.960 0.000 0.000 0.246 1400 G C 0.043 174.954 174.900 0.019 0.000 0.984 1400 G CA -0.136 44.971 45.100 0.012 0.000 0.633 1400 G HN 0.539 nan 8.290 nan 0.000 0.525 1401 K N -0.202 120.197 120.400 -0.003 0.000 2.318 1401 K HA 0.692 5.012 4.320 0.000 0.000 0.249 1401 K C -0.435 176.079 176.600 -0.143 0.000 0.942 1401 K CA -0.880 55.388 56.287 -0.032 0.000 0.808 1401 K CB 2.043 34.544 32.500 0.001 0.000 1.189 1401 K HN 0.094 nan 8.250 nan 0.000 0.428 1402 L N 3.591 124.650 121.223 -0.274 0.000 2.262 1402 L HA 0.314 4.654 4.340 0.000 0.000 0.288 1402 L C -0.263 176.246 176.870 -0.601 0.000 1.035 1402 L CA -0.815 53.695 54.840 -0.551 0.000 0.820 1402 L CB 0.736 42.222 42.059 -0.955 0.000 1.204 1402 L HN 0.361 nan 8.230 nan 0.000 0.424 1403 L N 3.835 124.764 121.223 -0.490 0.000 2.387 1403 L HA 0.216 4.556 4.340 0.000 0.000 0.267 1403 L C 0.585 177.260 176.870 -0.325 0.000 1.197 1403 L CA 0.455 55.047 54.840 -0.413 0.000 1.070 1403 L CB -0.370 41.411 42.059 -0.463 0.000 1.349 1403 L HN 0.395 nan 8.230 nan 0.000 0.422 1404 F N 2.350 122.207 119.950 -0.154 0.000 2.014 1404 F HA -0.027 4.501 4.527 0.001 0.000 0.295 1404 F C 1.607 177.331 175.800 -0.127 0.000 1.145 1404 F CA 1.172 59.102 58.000 -0.116 0.000 1.178 1404 F CB -0.227 38.726 39.000 -0.077 0.000 0.972 1404 F HN 0.525 nan 8.300 nan 0.000 0.476 1405 A N -1.018 121.845 122.820 0.071 0.000 2.354 1405 A HA 0.471 4.792 4.320 0.000 0.000 0.321 1405 A C -2.010 175.437 177.584 -0.228 0.000 1.125 1405 A CA -1.439 50.529 52.037 -0.114 0.000 0.799 1405 A CB 0.608 19.554 19.000 -0.090 0.000 1.293 1405 A HN -0.044 nan 8.150 nan 0.000 0.452 1406 P HA -0.116 nan 4.420 nan 0.000 0.223 1406 P C 0.440 177.594 177.300 -0.243 0.000 1.144 1406 P CA 1.365 64.234 63.100 -0.386 0.000 0.783 1406 P CB 0.096 31.465 31.700 -0.551 0.000 0.771 1407 N N -1.037 117.546 118.700 -0.194 0.000 2.275 1407 N HA 0.127 4.868 4.740 0.000 0.000 0.236 1407 N C -0.116 175.501 175.510 0.178 0.000 1.154 1407 N CA -0.090 52.993 53.050 0.054 0.000 0.866 1407 N CB 0.341 38.915 38.487 0.144 0.000 1.093 1407 N HN 0.066 nan 8.380 nan 0.000 0.515 1408 L N 1.074 122.333 121.223 0.059 0.000 2.481 1408 L HA 0.404 4.744 4.340 0.000 0.000 0.263 1408 L C -1.378 175.525 176.870 0.055 0.000 1.537 1408 L CA -0.602 54.291 54.840 0.087 0.000 0.741 1408 L CB 0.718 42.880 42.059 0.171 0.000 0.974 1408 L HN -0.027 nan 8.230 nan 0.000 0.519 1409 L N 1.537 122.743 121.223 -0.028 0.000 2.367 1409 L HA 0.473 4.813 4.340 0.000 0.000 0.275 1409 L C -0.600 176.261 176.870 -0.014 0.000 1.129 1409 L CA 0.696 55.488 54.840 -0.081 0.000 0.839 1409 L CB 0.697 42.700 42.059 -0.094 0.000 1.133 1409 L HN 0.385 nan 8.230 nan 0.000 0.453 1410 L N 3.087 124.293 121.223 -0.028 0.000 2.257 1410 L HA 0.642 4.983 4.340 0.000 0.000 0.257 1410 L C -1.334 175.621 176.870 0.142 0.000 1.033 1410 L CA -0.922 53.985 54.840 0.111 0.000 0.835 1410 L CB 2.464 44.709 42.059 0.309 0.000 1.398 1410 L HN 0.730 nan 8.230 nan 0.000 0.429 1411 D N -2.000 118.558 120.400 0.263 0.000 2.599 1411 D HA 0.332 4.973 4.640 0.000 0.000 0.252 1411 D C 0.373 176.771 176.300 0.163 0.000 1.232 1411 D CA -0.830 53.324 54.000 0.256 0.000 0.819 1411 D CB 1.225 42.084 40.800 0.098 0.000 1.401 1411 D HN 0.269 nan 8.370 nan 0.000 0.429 1412 R N -0.060 120.504 120.500 0.107 0.000 2.293 1412 R HA -0.299 4.041 4.340 0.000 0.000 0.245 1412 R C 1.245 177.353 176.300 -0.319 0.000 1.105 1412 R CA 2.653 58.678 56.100 -0.124 0.000 0.916 1412 R CB -0.928 29.359 30.300 -0.023 0.000 0.963 1412 R HN 0.579 nan 8.270 nan 0.000 0.429 1413 N N 0.510 119.110 118.700 -0.165 0.000 2.272 1413 N HA -0.167 4.573 4.740 0.000 0.000 0.185 1413 N C 1.702 177.095 175.510 -0.194 0.000 1.014 1413 N CA 1.295 54.256 53.050 -0.149 0.000 0.870 1413 N CB -0.269 38.171 38.487 -0.079 0.000 0.975 1413 N HN 0.513 nan 8.380 nan 0.000 0.433 1414 Q N -0.219 119.444 119.800 -0.227 0.000 2.137 1414 Q HA 0.073 4.414 4.340 0.000 0.000 0.198 1414 Q C 2.125 177.926 176.000 -0.331 0.000 0.960 1414 Q CA 1.190 56.885 55.803 -0.181 0.000 0.847 1414 Q CB -0.338 28.388 28.738 -0.019 0.000 0.915 1414 Q HN 0.402 nan 8.270 nan 0.000 0.448 1415 G N 1.418 109.694 108.800 -0.873 0.000 2.471 1415 G HA2 -0.238 3.723 3.960 0.000 0.000 0.219 1415 G HA3 -0.238 3.723 3.960 0.000 0.000 0.219 1415 G C 1.705 176.341 174.900 -0.440 0.000 1.125 1415 G CA 1.140 45.639 45.100 -1.001 0.000 0.775 1415 G HN 0.425 nan 8.290 nan 0.000 0.548 1416 K N -0.231 119.956 120.400 -0.355 0.000 2.366 1416 K HA 0.094 4.414 4.320 0.000 0.000 0.198 1416 K C 2.205 178.727 176.600 -0.131 0.000 1.044 1416 K CA 1.106 57.277 56.287 -0.193 0.000 0.973 1416 K CB -1.143 31.263 32.500 -0.157 0.000 0.767 1416 K HN 0.378 nan 8.250 nan 0.000 0.475 1417 C N 0.029 119.250 119.300 -0.133 0.000 2.432 1417 C HA 0.045 4.505 4.460 0.000 0.000 0.280 1417 C C 2.217 177.164 174.990 -0.071 0.000 1.353 1417 C CA 0.452 59.419 59.018 -0.085 0.000 1.766 1417 C CB -0.619 27.077 27.740 -0.073 0.000 1.924 1417 C HN 0.497 nan 8.230 nan 0.000 0.509 1418 V N -0.387 119.477 119.914 -0.083 0.000 3.541 1418 V HA 0.127 4.247 4.120 0.000 0.000 0.147 1418 V C 0.680 176.718 176.094 -0.094 0.000 1.193 1418 V CA 0.396 62.650 62.300 -0.077 0.000 1.426 1418 V CB -0.159 31.625 31.823 -0.066 0.000 1.157 1418 V HN 0.389 nan 8.190 nan 0.000 0.420 1419 E N -0.709 119.408 120.200 -0.138 0.000 3.364 1419 E HA 0.363 4.713 4.350 0.000 0.000 0.305 1419 E C 0.019 176.507 176.600 -0.186 0.000 1.141 1419 E CA 0.720 57.031 56.400 -0.149 0.000 1.079 1419 E CB 0.399 29.998 29.700 -0.168 0.000 1.343 1419 E HN 0.908 nan 8.360 nan 0.000 0.391 1420 G N 1.417 110.169 108.800 -0.080 0.000 2.227 1420 G HA2 -0.213 3.747 3.960 0.000 0.000 0.168 1420 G HA3 -0.213 3.747 3.960 0.000 0.000 0.168 1420 G C 0.988 175.900 174.900 0.021 0.000 1.006 1420 G CA 0.183 45.277 45.100 -0.010 0.000 0.684 1420 G HN 0.342 nan 8.290 nan 0.000 0.489 1421 M N 0.248 119.852 119.600 0.007 0.000 2.319 1421 M HA 0.083 4.563 4.480 0.000 0.000 0.265 1421 M C 2.537 178.927 176.300 0.151 0.000 1.068 1421 M CA 1.513 56.885 55.300 0.120 0.000 1.118 1421 M CB -0.407 32.266 32.600 0.121 0.000 1.395 1421 M HN 0.251 nan 8.290 nan 0.000 0.435 1422 V N 1.779 121.689 119.914 -0.008 0.000 2.261 1422 V HA -0.289 3.831 4.120 0.000 0.000 0.246 1422 V C 1.904 178.063 176.094 0.108 0.000 1.047 1422 V CA 2.423 64.709 62.300 -0.024 0.000 1.015 1422 V CB -0.434 31.349 31.823 -0.068 0.000 0.642 1422 V HN 0.546 nan 8.190 nan 0.000 0.446 1423 E N 0.374 120.627 120.200 0.090 0.000 2.130 1423 E HA -0.232 4.118 4.350 0.000 0.000 0.196 1423 E C 2.165 178.846 176.600 0.135 0.000 0.998 1423 E CA 1.977 58.440 56.400 0.104 0.000 0.806 1423 E CB -0.354 29.401 29.700 0.091 0.000 0.738 1423 E HN 0.661 nan 8.360 nan 0.000 0.459 1424 I N 0.136 120.797 120.570 0.153 0.000 2.353 1424 I HA -0.159 4.011 4.170 0.000 0.000 0.248 1424 I C 2.164 178.372 176.117 0.152 0.000 1.119 1424 I CA 0.922 62.302 61.300 0.134 0.000 1.417 1424 I CB -0.634 37.437 38.000 0.119 0.000 1.078 1424 I HN 0.021 nan 8.210 nan 0.000 0.421 1425 F N 2.355 122.320 119.950 0.025 0.000 2.027 1425 F HA -0.319 4.208 4.527 0.000 0.000 0.297 1425 F C 2.494 178.290 175.800 -0.007 0.000 1.129 1425 F CA 2.064 60.070 58.000 0.011 0.000 1.195 1425 F CB -0.311 38.697 39.000 0.015 0.000 0.960 1425 F HN 0.136 nan 8.300 nan 0.000 0.485 1426 D N -0.071 120.461 120.400 0.219 0.000 2.123 1426 D HA -0.213 4.427 4.640 0.000 0.000 0.196 1426 D C 2.231 178.575 176.300 0.072 0.000 0.992 1426 D CA 1.739 55.812 54.000 0.122 0.000 0.833 1426 D CB -0.454 40.411 40.800 0.108 0.000 0.954 1426 D HN 0.349 nan 8.370 nan 0.000 0.455 1427 M N -0.063 119.581 119.600 0.075 0.000 2.229 1427 M HA -0.066 4.414 4.480 0.000 0.000 0.264 1427 M C 2.377 178.615 176.300 -0.104 0.000 1.063 1427 M CA 0.854 56.170 55.300 0.027 0.000 1.114 1427 M CB -0.240 32.411 32.600 0.086 0.000 1.387 1427 M HN -0.029 nan 8.290 nan 0.000 0.420 1428 L N 0.541 121.719 121.223 -0.076 0.000 1.976 1428 L HA -0.210 4.130 4.340 0.000 0.000 0.209 1428 L C 2.486 179.287 176.870 -0.114 0.000 1.071 1428 L CA 1.352 56.116 54.840 -0.126 0.000 0.746 1428 L CB -0.669 41.284 42.059 -0.177 0.000 0.890 1428 L HN 0.284 nan 8.230 nan 0.000 0.432 1429 L N -0.392 120.780 121.223 -0.085 0.000 2.051 1429 L HA -0.292 4.048 4.340 0.000 0.000 0.214 1429 L C 2.834 179.678 176.870 -0.044 0.000 1.076 1429 L CA 1.413 56.220 54.840 -0.055 0.000 0.758 1429 L CB -0.819 41.237 42.059 -0.005 0.000 0.890 1429 L HN 0.310 nan 8.230 nan 0.000 0.433 1430 A N -0.511 122.287 122.820 -0.037 0.000 1.940 1430 A HA -0.207 4.114 4.320 0.000 0.000 0.219 1430 A C 2.348 179.878 177.584 -0.090 0.000 1.176 1430 A CA 2.395 54.415 52.037 -0.028 0.000 0.631 1430 A CB -0.888 18.134 19.000 0.036 0.000 0.814 1430 A HN 0.459 nan 8.150 nan 0.000 0.446 1431 T N -0.960 113.489 114.554 -0.175 0.000 2.904 1431 T HA -0.064 4.286 4.350 0.000 0.000 0.267 1431 T C 2.189 176.774 174.700 -0.193 0.000 1.059 1431 T CA 1.250 63.176 62.100 -0.290 0.000 1.137 1431 T CB -0.265 68.405 68.868 -0.331 0.000 0.879 1431 T HN 0.423 nan 8.240 nan 0.000 0.467 1432 S N 1.229 116.913 115.700 -0.027 0.000 2.351 1432 S HA -0.157 4.314 4.470 0.000 0.000 0.220 1432 S C 2.439 177.065 174.600 0.043 0.000 1.035 1432 S CA 1.631 59.870 58.200 0.065 0.000 1.031 1432 S CB -0.574 62.624 63.200 -0.003 0.000 0.928 1432 S HN 0.483 nan 8.310 nan 0.000 0.433 1433 S N 1.046 116.741 115.700 -0.009 0.000 2.365 1433 S HA -0.135 4.335 4.470 0.000 0.000 0.225 1433 S C 1.948 176.544 174.600 -0.007 0.000 1.039 1433 S CA 1.405 59.601 58.200 -0.006 0.000 1.033 1433 S CB -0.484 62.707 63.200 -0.014 0.000 0.887 1433 S HN 0.340 nan 8.310 nan 0.000 0.447 1434 R N 1.133 121.592 120.500 -0.067 0.000 2.094 1434 R HA -0.042 4.298 4.340 0.000 0.000 0.239 1434 R C 1.776 178.059 176.300 -0.028 0.000 1.137 1434 R CA 1.676 57.710 56.100 -0.109 0.000 0.943 1434 R CB -1.306 28.838 30.300 -0.260 0.000 0.850 1434 R HN 0.383 nan 8.270 nan 0.000 0.433 1435 F N 0.633 120.617 119.950 0.056 0.000 2.134 1435 F HA -0.037 4.490 4.527 0.000 0.000 0.299 1435 F C 2.479 178.315 175.800 0.060 0.000 1.097 1435 F CA 1.493 59.544 58.000 0.084 0.000 1.264 1435 F CB -0.770 38.306 39.000 0.127 0.000 1.001 1435 F HN 0.113 nan 8.300 nan 0.000 0.479 1436 R N 0.199 120.821 120.500 0.203 0.000 2.112 1436 R HA -0.248 4.092 4.340 0.000 0.000 0.242 1436 R C 2.191 178.536 176.300 0.075 0.000 1.137 1436 R CA 2.212 58.367 56.100 0.091 0.000 0.944 1436 R CB -0.351 29.971 30.300 0.035 0.000 0.857 1436 R HN 0.238 nan 8.270 nan 0.000 0.435 1437 M N -0.058 119.582 119.600 0.066 0.000 2.065 1437 M HA -0.230 4.251 4.480 0.000 0.000 0.259 1437 M C 2.286 178.627 176.300 0.069 0.000 1.069 1437 M CA 2.025 57.354 55.300 0.049 0.000 1.110 1437 M CB -0.262 32.357 32.600 0.032 0.000 1.328 1437 M HN 0.214 nan 8.290 nan 0.000 0.405 1438 M N -0.471 119.194 119.600 0.108 0.000 2.630 1438 M HA 0.033 4.513 4.480 0.000 0.000 0.254 1438 M C 0.166 176.537 176.300 0.118 0.000 1.092 1438 M CA 0.307 55.678 55.300 0.118 0.000 1.087 1438 M CB -0.717 31.981 32.600 0.163 0.000 1.453 1438 M HN 0.309 nan 8.290 nan 0.000 0.509 1439 N N 1.721 120.492 118.700 0.119 0.000 2.753 1439 N HA -0.137 4.603 4.740 0.000 0.000 0.252 1439 N C -1.136 174.457 175.510 0.138 0.000 1.071 1439 N CA 0.101 53.210 53.050 0.099 0.000 0.690 1439 N CB -1.031 37.495 38.487 0.066 0.000 0.906 1439 N HN 0.282 nan 8.380 nan 0.000 0.552 1440 L N 1.373 122.715 121.223 0.198 0.000 2.477 1440 L HA 0.205 4.545 4.340 0.000 0.000 0.272 1440 L C 0.362 177.414 176.870 0.305 0.000 1.157 1440 L CA 0.404 55.383 54.840 0.230 0.000 0.889 1440 L CB 0.577 42.769 42.059 0.221 0.000 1.158 1440 L HN 0.199 nan 8.230 nan 0.000 0.473 1441 Q N 3.429 123.344 119.800 0.193 0.000 2.327 1441 Q HA 0.232 4.572 4.340 0.000 0.000 0.254 1441 Q C 1.229 177.286 176.000 0.094 0.000 0.952 1441 Q CA 0.603 56.520 55.803 0.190 0.000 0.884 1441 Q CB 1.086 29.886 28.738 0.103 0.000 1.224 1441 Q HN 0.854 nan 8.270 nan 0.000 0.422 1442 G N 2.351 111.249 108.800 0.163 0.000 2.485 1442 G HA2 -0.303 3.657 3.960 0.000 0.000 0.221 1442 G HA3 -0.303 3.657 3.960 0.000 0.000 0.221 1442 G C 0.971 175.801 174.900 -0.118 0.000 1.115 1442 G CA 0.846 45.842 45.100 -0.173 0.000 0.751 1442 G HN 0.620 nan 8.290 nan 0.000 0.567 1443 E N 0.184 120.373 120.200 -0.018 0.000 2.208 1443 E HA -0.006 4.344 4.350 0.000 0.000 0.193 1443 E C 2.406 178.986 176.600 -0.032 0.000 0.988 1443 E CA 1.088 57.485 56.400 -0.006 0.000 0.828 1443 E CB 0.020 29.738 29.700 0.031 0.000 0.763 1443 E HN 0.622 nan 8.360 nan 0.000 0.478 1444 E N -0.059 120.115 120.200 -0.043 0.000 2.140 1444 E HA -0.083 4.267 4.350 0.000 0.000 0.191 1444 E C 1.637 178.154 176.600 -0.138 0.000 0.973 1444 E CA 0.333 56.702 56.400 -0.053 0.000 0.829 1444 E CB -0.166 29.528 29.700 -0.010 0.000 0.781 1444 E HN 0.188 nan 8.360 nan 0.000 0.466 1445 F N 2.264 121.965 119.950 -0.414 0.000 2.147 1445 F HA -0.263 4.264 4.527 0.000 0.000 0.301 1445 F C 2.016 177.557 175.800 -0.432 0.000 1.084 1445 F CA 1.655 59.291 58.000 -0.607 0.000 1.268 1445 F CB -0.224 38.017 39.000 -1.265 0.000 1.009 1445 F HN -0.060 nan 8.300 nan 0.000 0.486 1446 V N -2.530 117.109 119.914 -0.457 0.000 2.591 1446 V HA -0.160 3.960 4.120 0.000 0.000 0.249 1446 V C 2.475 178.422 176.094 -0.246 0.000 1.053 1446 V CA 1.268 63.311 62.300 -0.428 0.000 1.068 1446 V CB -1.708 30.031 31.823 -0.140 0.000 0.689 1446 V HN 0.497 nan 8.190 nan 0.000 0.462 1447 C N 0.727 119.927 119.300 -0.166 0.000 2.393 1447 C HA -0.114 4.346 4.460 0.000 0.000 0.276 1447 C C 2.746 177.671 174.990 -0.108 0.000 1.215 1447 C CA 1.755 60.718 59.018 -0.092 0.000 1.743 1447 C CB -1.214 26.494 27.740 -0.054 0.000 2.044 1447 C HN 0.615 nan 8.230 nan 0.000 0.464 1448 L N 0.181 121.297 121.223 -0.178 0.000 2.156 1448 L HA -0.100 4.240 4.340 0.000 0.000 0.208 1448 L C 2.550 179.304 176.870 -0.192 0.000 1.095 1448 L CA 1.292 56.043 54.840 -0.148 0.000 0.770 1448 L CB -0.659 41.313 42.059 -0.145 0.000 0.914 1448 L HN 0.355 nan 8.230 nan 0.000 0.439 1449 K N -0.189 119.981 120.400 -0.383 0.000 2.097 1449 K HA -0.131 4.189 4.320 0.000 0.000 0.205 1449 K C 2.348 178.975 176.600 0.044 0.000 1.050 1449 K CA 1.246 57.346 56.287 -0.312 0.000 0.938 1449 K CB 0.072 32.173 32.500 -0.665 0.000 0.718 1449 K HN 0.087 nan 8.250 nan 0.000 0.442 1450 S N 0.920 116.667 115.700 0.077 0.000 2.348 1450 S HA -0.089 4.381 4.470 0.000 0.000 0.221 1450 S C 1.766 176.394 174.600 0.047 0.000 1.033 1450 S CA 1.253 59.514 58.200 0.102 0.000 1.010 1450 S CB -0.188 63.029 63.200 0.029 0.000 0.891 1450 S HN 0.274 nan 8.310 nan 0.000 0.442 1451 I N 1.331 121.910 120.570 0.015 0.000 2.423 1451 I HA -0.175 3.995 4.170 0.000 0.000 0.254 1451 I C 1.755 177.895 176.117 0.039 0.000 1.151 1451 I CA 1.171 62.484 61.300 0.023 0.000 1.421 1451 I CB -0.471 37.541 38.000 0.019 0.000 1.079 1451 I HN 0.308 nan 8.210 nan 0.000 0.431 1452 I N 0.073 120.667 120.570 0.040 0.000 2.761 1452 I HA -0.220 3.950 4.170 0.000 0.000 0.261 1452 I C 2.353 178.517 176.117 0.078 0.000 1.198 1452 I CA 0.651 61.982 61.300 0.051 0.000 1.482 1452 I CB -0.018 38.001 38.000 0.031 0.000 1.100 1452 I HN 0.258 nan 8.210 nan 0.000 0.445 1453 L N 0.722 122.006 121.223 0.101 0.000 2.084 1453 L HA -0.021 4.319 4.340 0.000 0.000 0.202 1453 L C 2.100 179.046 176.870 0.127 0.000 1.074 1453 L CA 1.794 56.704 54.840 0.116 0.000 0.757 1453 L CB -0.400 41.691 42.059 0.054 0.000 0.918 1453 L HN 0.071 nan 8.230 nan 0.000 0.444 1454 L N -0.297 120.984 121.223 0.096 0.000 2.240 1454 L HA -0.066 4.274 4.340 0.000 0.000 0.211 1454 L C 2.136 179.017 176.870 0.018 0.000 1.106 1454 L CA 0.935 55.825 54.840 0.084 0.000 0.793 1454 L CB -0.568 41.515 42.059 0.040 0.000 0.927 1454 L HN 0.470 nan 8.230 nan 0.000 0.446 1455 N N -0.593 118.116 118.700 0.015 0.000 2.424 1455 N HA -0.115 4.625 4.740 0.000 0.000 0.178 1455 N C 1.930 177.431 175.510 -0.015 0.000 1.060 1455 N CA 0.447 53.486 53.050 -0.018 0.000 0.901 1455 N CB 0.408 38.917 38.487 0.037 0.000 0.979 1455 N HN 0.122 nan 8.380 nan 0.000 0.451 1456 S N -0.073 115.642 115.700 0.025 0.000 2.414 1456 S HA -0.164 4.306 4.470 0.000 0.000 0.238 1456 S C 1.219 175.822 174.600 0.004 0.000 1.055 1456 S CA 2.076 60.292 58.200 0.026 0.000 1.174 1456 S CB -0.479 62.750 63.200 0.049 0.000 1.087 1456 S HN 0.499 nan 8.310 nan 0.000 0.428 1457 G N -0.309 108.503 108.800 0.020 0.000 4.803 1457 G HA2 0.462 4.423 3.960 0.000 0.000 0.266 1457 G HA3 0.462 4.423 3.960 0.000 0.000 0.266 1457 G C 0.695 175.659 174.900 0.107 0.000 1.111 1457 G CA 0.260 45.462 45.100 0.171 0.000 0.874 1457 G HN 0.393 nan 8.290 nan 0.000 0.555 1458 V N 0.018 119.729 119.914 -0.339 0.000 2.214 1458 V HA -0.219 3.901 4.120 0.000 0.000 0.247 1458 V C 1.653 177.159 176.094 -0.980 0.000 1.051 1458 V CA 1.225 62.970 62.300 -0.925 0.000 1.003 1458 V CB -1.148 30.058 31.823 -1.028 0.000 0.635 1458 V HN 0.452 nan 8.190 nan 0.000 0.447 1459 Y N 1.623 121.780 120.300 -0.238 0.000 3.127 1459 Y HA 0.356 4.906 4.550 0.000 0.000 0.387 1459 Y C 0.802 176.652 175.900 -0.082 0.000 1.029 1459 Y CA 0.306 58.320 58.100 -0.142 0.000 1.905 1459 Y CB -1.363 37.076 38.460 -0.036 0.000 2.007 1459 Y HN 0.304 nan 8.280 nan 0.000 0.435 1460 T N -2.092 112.431 114.554 -0.052 0.000 4.824 1460 T HA 0.052 4.403 4.350 0.000 0.000 0.323 1460 T C 0.664 175.291 174.700 -0.121 0.000 0.887 1460 T CA -0.347 61.778 62.100 0.041 0.000 0.781 1460 T CB -0.834 68.157 68.868 0.204 0.000 0.884 1460 T HN 0.044 nan 8.240 nan 0.000 0.399 1461 F N 1.552 121.351 119.950 -0.251 0.000 1.988 1461 F HA 0.198 4.725 4.527 0.000 0.000 0.296 1461 F C 1.814 177.513 175.800 -0.168 0.000 1.178 1461 F CA 1.324 59.108 58.000 -0.360 0.000 1.174 1461 F CB -0.384 38.537 39.000 -0.132 0.000 0.963 1461 F HN 0.334 nan 8.300 nan 0.000 0.489 1462 L N -3.924 117.405 121.223 0.176 0.000 2.024 1462 L HA 0.305 4.646 4.340 0.000 0.000 0.137 1462 L C 0.062 176.972 176.870 0.067 0.000 1.357 1462 L CA 0.633 55.532 54.840 0.099 0.000 1.059 1462 L CB 0.313 42.401 42.059 0.048 0.000 2.165 1462 L HN 0.050 nan 8.230 nan 0.000 0.478 1463 S N -1.603 114.138 115.700 0.069 0.000 2.651 1463 S HA 0.423 4.893 4.470 0.000 0.000 0.279 1463 S C -0.124 174.516 174.600 0.066 0.000 1.148 1463 S CA 0.163 58.394 58.200 0.051 0.000 0.837 1463 S CB 1.644 64.859 63.200 0.024 0.000 1.138 1463 S HN 0.207 nan 8.310 nan 0.000 0.478 1464 S N 1.852 117.583 115.700 0.052 0.000 2.803 1464 S HA 0.172 4.643 4.470 0.000 0.000 0.228 1464 S C 1.085 175.712 174.600 0.045 0.000 0.953 1464 S CA 0.476 58.709 58.200 0.055 0.000 0.983 1464 S CB -1.455 61.771 63.200 0.044 0.000 0.784 1464 S HN 0.863 nan 8.310 nan 0.000 0.498 1465 T N 0.319 114.896 114.554 0.038 0.000 3.326 1465 T HA -0.046 4.304 4.350 0.000 0.000 0.444 1465 T C 1.211 175.927 174.700 0.028 0.000 1.077 1465 T CA 0.234 62.349 62.100 0.024 0.000 1.154 1465 T CB -0.190 68.685 68.868 0.011 0.000 1.282 1465 T HN 0.166 nan 8.240 nan 0.000 0.501 1466 L N -0.061 121.171 121.223 0.016 0.000 2.189 1466 L HA 0.370 4.710 4.340 0.000 0.000 0.199 1466 L C 2.449 179.331 176.870 0.019 0.000 1.074 1466 L CA 1.564 56.414 54.840 0.017 0.000 0.783 1466 L CB -1.380 40.682 42.059 0.006 0.000 0.955 1466 L HN 0.609 nan 8.230 nan 0.000 0.460 1467 K N -0.410 119.994 120.400 0.005 0.000 2.057 1467 K HA -0.092 4.229 4.320 0.000 0.000 0.207 1467 K C 2.380 178.993 176.600 0.022 0.000 1.049 1467 K CA 1.645 57.930 56.287 -0.003 0.000 0.931 1467 K CB -0.782 31.699 32.500 -0.030 0.000 0.714 1467 K HN 0.284 nan 8.250 nan 0.000 0.440 1468 S N -0.115 115.612 115.700 0.044 0.000 2.392 1468 S HA -0.150 4.320 4.470 0.000 0.000 0.232 1468 S C 1.761 176.461 174.600 0.166 0.000 1.041 1468 S CA 1.374 59.648 58.200 0.124 0.000 1.026 1468 S CB -0.258 63.026 63.200 0.140 0.000 0.845 1468 S HN 0.275 nan 8.310 nan 0.000 0.465 1469 L N 0.937 122.224 121.223 0.107 0.000 2.095 1469 L HA 0.044 4.384 4.340 0.000 0.000 0.204 1469 L C 2.245 179.175 176.870 0.099 0.000 1.080 1469 L CA 1.510 56.413 54.840 0.105 0.000 0.759 1469 L CB -0.401 41.704 42.059 0.077 0.000 0.914 1469 L HN 0.263 nan 8.230 nan 0.000 0.439 1470 E N -0.919 119.323 120.200 0.070 0.000 2.204 1470 E HA -0.179 4.172 4.350 0.000 0.000 0.194 1470 E C 1.948 178.592 176.600 0.074 0.000 0.989 1470 E CA 0.713 57.148 56.400 0.057 0.000 0.824 1470 E CB 0.042 29.754 29.700 0.019 0.000 0.756 1470 E HN 0.401 nan 8.360 nan 0.000 0.477 1471 E N 1.255 121.507 120.200 0.086 0.000 2.006 1471 E HA -0.135 4.215 4.350 0.000 0.000 0.192 1471 E C 1.932 178.640 176.600 0.180 0.000 0.993 1471 E CA 0.884 57.355 56.400 0.117 0.000 0.808 1471 E CB -0.145 29.599 29.700 0.073 0.000 0.764 1471 E HN 0.211 nan 8.360 nan 0.000 0.449 1472 K N 0.926 121.451 120.400 0.208 0.000 2.127 1472 K HA -0.235 4.085 4.320 0.000 0.000 0.208 1472 K C 1.854 178.402 176.600 -0.086 0.000 1.047 1472 K CA 1.720 57.989 56.287 -0.030 0.000 0.927 1472 K CB -0.311 32.206 32.500 0.027 0.000 0.716 1472 K HN 0.124 nan 8.250 nan 0.000 0.450 1473 D N 0.336 120.797 120.400 0.102 0.000 2.264 1473 D HA -0.177 4.463 4.640 0.000 0.000 0.208 1473 D C 1.856 178.234 176.300 0.130 0.000 0.966 1473 D CA 1.128 55.216 54.000 0.147 0.000 0.864 1473 D CB 0.053 40.931 40.800 0.131 0.000 0.933 1473 D HN 0.307 nan 8.370 nan 0.000 0.499 1474 H N -0.587 118.483 119.070 0.000 0.000 2.384 1474 H HA 0.205 4.761 4.556 0.001 0.000 0.300 1474 H C 1.994 177.309 175.328 -0.022 0.000 1.057 1474 H CA 1.189 57.233 56.048 -0.006 0.000 1.370 1474 H CB -0.205 29.546 29.762 -0.018 0.000 1.417 1474 H HN 0.154 nan 8.280 nan 0.000 0.527 1475 I N 0.022 120.505 120.570 -0.146 0.000 2.163 1475 I HA -0.297 3.873 4.170 0.000 0.000 0.240 1475 I C 2.189 178.212 176.117 -0.157 0.000 1.081 1475 I CA 1.211 62.381 61.300 -0.216 0.000 1.353 1475 I CB -0.291 37.585 38.000 -0.206 0.000 1.054 1475 I HN 0.404 nan 8.210 nan 0.000 0.407 1476 H N 1.046 120.094 119.070 -0.036 0.000 2.426 1476 H HA -0.143 4.414 4.556 0.000 0.000 0.298 1476 H C 2.323 177.634 175.328 -0.028 0.000 1.107 1476 H CA 1.279 57.317 56.048 -0.016 0.000 1.298 1476 H CB -0.360 29.416 29.762 0.023 0.000 1.377 1476 H HN 0.391 nan 8.280 nan 0.000 0.519 1477 R N 0.070 120.600 120.500 0.049 0.000 2.119 1477 R HA -0.008 4.332 4.340 0.000 0.000 0.222 1477 R C 2.435 178.694 176.300 -0.067 0.000 1.088 1477 R CA 0.931 57.030 56.100 -0.000 0.000 0.984 1477 R CB -0.076 30.228 30.300 0.006 0.000 0.884 1477 R HN 0.102 nan 8.270 nan 0.000 0.447 1478 V N 1.946 121.759 119.914 -0.167 0.000 2.261 1478 V HA -0.233 3.888 4.120 0.000 0.000 0.246 1478 V C 2.434 178.489 176.094 -0.065 0.000 1.047 1478 V CA 1.662 63.868 62.300 -0.157 0.000 1.015 1478 V CB -0.699 30.990 31.823 -0.223 0.000 0.642 1478 V HN 0.204 nan 8.190 nan 0.000 0.446 1479 L N 0.212 121.414 121.223 -0.035 0.000 2.021 1479 L HA -0.284 4.056 4.340 0.000 0.000 0.215 1479 L C 2.440 179.320 176.870 0.016 0.000 1.074 1479 L CA 2.016 56.861 54.840 0.009 0.000 0.760 1479 L CB -0.962 41.128 42.059 0.052 0.000 0.889 1479 L HN 0.334 nan 8.230 nan 0.000 0.433 1480 D N -0.294 120.119 120.400 0.023 0.000 2.149 1480 D HA -0.212 4.429 4.640 0.000 0.000 0.198 1480 D C 2.117 178.421 176.300 0.005 0.000 0.990 1480 D CA 1.242 55.254 54.000 0.019 0.000 0.839 1480 D CB -0.065 40.749 40.800 0.023 0.000 0.948 1480 D HN 0.215 nan 8.370 nan 0.000 0.460 1481 K N 0.645 121.040 120.400 -0.009 0.000 2.062 1481 K HA 0.011 4.331 4.320 0.000 0.000 0.205 1481 K C 1.946 178.536 176.600 -0.017 0.000 1.051 1481 K CA 0.722 56.998 56.287 -0.018 0.000 0.941 1481 K CB -0.190 32.291 32.500 -0.031 0.000 0.719 1481 K HN 0.104 nan 8.250 nan 0.000 0.440 1482 I N 0.530 121.091 120.570 -0.015 0.000 2.361 1482 I HA -0.236 3.934 4.170 0.000 0.000 0.251 1482 I C 1.817 177.939 176.117 0.008 0.000 1.133 1482 I CA 1.313 62.608 61.300 -0.009 0.000 1.413 1482 I CB -0.709 37.285 38.000 -0.010 0.000 1.073 1482 I HN 0.196 nan 8.210 nan 0.000 0.424 1483 T N 0.632 115.195 114.554 0.015 0.000 2.746 1483 T HA -0.159 4.191 4.350 0.000 0.000 0.267 1483 T C 1.354 176.077 174.700 0.039 0.000 1.039 1483 T CA 1.827 63.945 62.100 0.029 0.000 1.142 1483 T CB -0.359 68.527 68.868 0.029 0.000 0.866 1483 T HN 0.373 nan 8.240 nan 0.000 0.444 1484 D N 0.771 121.188 120.400 0.028 0.000 2.218 1484 D HA -0.051 4.590 4.640 0.000 0.000 0.204 1484 D C 2.205 178.544 176.300 0.065 0.000 0.976 1484 D CA 0.962 54.988 54.000 0.043 0.000 0.853 1484 D CB -0.537 40.273 40.800 0.017 0.000 0.939 1484 D HN 0.306 nan 8.370 nan 0.000 0.481 1485 T N 0.638 115.209 114.554 0.029 0.000 2.652 1485 T HA -0.131 4.219 4.350 0.000 0.000 0.267 1485 T C 2.055 176.825 174.700 0.116 0.000 1.039 1485 T CA 0.708 62.832 62.100 0.041 0.000 1.153 1485 T CB -0.435 68.437 68.868 0.006 0.000 0.863 1485 T HN 0.097 nan 8.240 nan 0.000 0.428 1486 L N 0.320 121.590 121.223 0.079 0.000 1.970 1486 L HA -0.107 4.233 4.340 0.000 0.000 0.212 1486 L C 2.535 179.462 176.870 0.096 0.000 1.071 1486 L CA 1.060 55.946 54.840 0.077 0.000 0.751 1486 L CB -0.531 41.562 42.059 0.057 0.000 0.889 1486 L HN 0.196 nan 8.230 nan 0.000 0.432 1487 I N -0.389 120.242 120.570 0.102 0.000 2.185 1487 I HA -0.380 3.791 4.170 0.000 0.000 0.246 1487 I C 2.590 178.778 176.117 0.117 0.000 1.088 1487 I CA 1.765 63.131 61.300 0.111 0.000 1.347 1487 I CB -1.366 36.703 38.000 0.115 0.000 1.041 1487 I HN 0.487 nan 8.210 nan 0.000 0.415 1488 H N 0.649 119.740 119.070 0.036 0.000 2.428 1488 H HA -0.038 4.519 4.556 0.001 0.000 0.296 1488 H C 2.287 177.630 175.328 0.026 0.000 1.062 1488 H CA 0.998 57.063 56.048 0.029 0.000 1.350 1488 H CB 0.048 29.824 29.762 0.024 0.000 1.403 1488 H HN 0.262 nan 8.280 nan 0.000 0.533 1489 L N 0.226 121.509 121.223 0.100 0.000 2.027 1489 L HA -0.175 4.166 4.340 0.000 0.000 0.206 1489 L C 2.774 179.628 176.870 -0.027 0.000 1.074 1489 L CA 1.375 56.234 54.840 0.032 0.000 0.745 1489 L CB -0.230 41.880 42.059 0.085 0.000 0.898 1489 L HN 0.269 nan 8.230 nan 0.000 0.433 1490 M N -1.112 118.491 119.600 0.004 0.000 2.476 1490 M HA -0.063 4.417 4.480 0.000 0.000 0.262 1490 M C 2.276 178.559 176.300 -0.029 0.000 1.079 1490 M CA 1.181 56.480 55.300 -0.001 0.000 1.104 1490 M CB -0.470 32.144 32.600 0.023 0.000 1.409 1490 M HN 0.240 nan 8.290 nan 0.000 0.467 1491 A N 1.155 123.943 122.820 -0.054 0.000 1.841 1491 A HA -0.149 4.171 4.320 0.000 0.000 0.214 1491 A C 2.271 179.794 177.584 -0.103 0.000 1.195 1491 A CA 1.624 53.618 52.037 -0.072 0.000 0.611 1491 A CB -0.644 18.311 19.000 -0.075 0.000 0.835 1491 A HN 0.382 nan 8.150 nan 0.000 0.443 1492 K N -0.067 120.225 120.400 -0.181 0.000 2.059 1492 K HA -0.238 4.082 4.320 0.000 0.000 0.212 1492 K C 2.091 178.646 176.600 -0.075 0.000 1.050 1492 K CA 1.704 57.900 56.287 -0.152 0.000 0.927 1492 K CB -0.435 31.946 32.500 -0.198 0.000 0.714 1492 K HN 0.379 nan 8.250 nan 0.000 0.447 1493 A N -0.033 122.753 122.820 -0.057 0.000 2.032 1493 A HA -0.070 4.250 4.320 0.000 0.000 0.221 1493 A C 1.438 179.009 177.584 -0.023 0.000 1.165 1493 A CA 2.001 54.022 52.037 -0.027 0.000 0.645 1493 A CB -0.616 18.377 19.000 -0.012 0.000 0.807 1493 A HN 0.677 nan 8.150 nan 0.000 0.453 1494 G N -2.043 106.739 108.800 -0.030 0.000 2.145 1494 G HA2 -0.124 3.836 3.960 0.000 0.000 0.176 1494 G HA3 -0.124 3.836 3.960 0.000 0.000 0.176 1494 G C -0.150 174.736 174.900 -0.023 0.000 1.013 1494 G CA -0.000 45.085 45.100 -0.025 0.000 0.689 1494 G HN 0.430 nan 8.290 nan 0.000 0.506 1495 L N 1.834 123.041 121.223 -0.027 0.000 2.334 1495 L HA 0.506 4.846 4.340 0.000 0.000 0.277 1495 L C 1.541 178.382 176.870 -0.047 0.000 1.075 1495 L CA -0.400 54.420 54.840 -0.032 0.000 0.804 1495 L CB 1.026 43.067 42.059 -0.031 0.000 1.174 1495 L HN 0.388 nan 8.230 nan 0.000 0.438 1496 T N -0.518 114.004 114.554 -0.053 0.000 2.906 1496 T HA 0.067 4.417 4.350 0.000 0.000 0.320 1496 T C 1.320 175.945 174.700 -0.126 0.000 1.088 1496 T CA -0.545 61.514 62.100 -0.068 0.000 1.120 1496 T CB 0.813 69.645 68.868 -0.060 0.000 1.000 1496 T HN 0.429 nan 8.240 nan 0.000 0.550 1497 L N 1.102 122.240 121.223 -0.141 0.000 2.081 1497 L HA -0.196 4.145 4.340 0.000 0.000 0.212 1497 L C 3.198 179.647 176.870 -0.701 0.000 1.080 1497 L CA 1.943 56.619 54.840 -0.273 0.000 0.754 1497 L CB -0.612 41.387 42.059 -0.100 0.000 0.893 1497 L HN 0.881 nan 8.230 nan 0.000 0.433 1498 Q N -0.493 119.055 119.800 -0.420 0.000 2.096 1498 Q HA -0.291 4.049 4.340 0.000 0.000 0.204 1498 Q C 2.124 177.954 176.000 -0.283 0.000 0.982 1498 Q CA 1.865 57.453 55.803 -0.359 0.000 0.850 1498 Q CB -0.036 28.627 28.738 -0.125 0.000 0.901 1498 Q HN 0.587 nan 8.270 nan 0.000 0.422 1499 Q N -0.468 119.217 119.800 -0.192 0.000 2.311 1499 Q HA -0.123 4.217 4.340 0.000 0.000 0.203 1499 Q C 1.993 177.945 176.000 -0.080 0.000 0.954 1499 Q CA 0.901 56.647 55.803 -0.096 0.000 0.885 1499 Q CB 0.188 28.891 28.738 -0.057 0.000 0.963 1499 Q HN 0.483 nan 8.270 nan 0.000 0.471 1500 Q N -0.339 119.373 119.800 -0.147 0.000 2.046 1500 Q HA -0.169 4.172 4.340 0.000 0.000 0.200 1500 Q C 1.572 177.625 176.000 0.089 0.000 0.975 1500 Q CA 1.420 57.205 55.803 -0.030 0.000 0.836 1500 Q CB -0.046 28.689 28.738 -0.006 0.000 0.896 1500 Q HN 0.669 nan 8.270 nan 0.000 0.428 1501 H N -0.192 118.893 119.070 0.025 0.000 2.428 1501 H HA -0.050 4.506 4.556 0.001 0.000 0.296 1501 H C 1.984 177.328 175.328 0.026 0.000 1.062 1501 H CA 0.749 56.811 56.048 0.025 0.000 1.350 1501 H CB 0.210 29.984 29.762 0.020 0.000 1.403 1501 H HN 0.297 nan 8.280 nan 0.000 0.533 1502 Q N 0.669 120.534 119.800 0.108 0.000 2.163 1502 Q HA -0.065 4.276 4.340 0.000 0.000 0.198 1502 Q C 2.280 178.319 176.000 0.065 0.000 0.954 1502 Q CA 0.602 56.447 55.803 0.070 0.000 0.851 1502 Q CB 0.070 28.829 28.738 0.036 0.000 0.928 1502 Q HN 0.284 nan 8.270 nan 0.000 0.459 1503 R N 1.424 121.960 120.500 0.060 0.000 2.070 1503 R HA -0.162 4.178 4.340 0.000 0.000 0.233 1503 R C 2.207 178.557 176.300 0.084 0.000 1.137 1503 R CA 1.122 57.262 56.100 0.067 0.000 0.945 1503 R CB -0.517 29.817 30.300 0.056 0.000 0.845 1503 R HN 0.258 nan 8.270 nan 0.000 0.430 1504 L N 0.217 121.494 121.223 0.089 0.000 2.129 1504 L HA -0.077 4.264 4.340 0.000 0.000 0.212 1504 L C 2.056 178.977 176.870 0.085 0.000 1.087 1504 L CA 2.243 57.137 54.840 0.090 0.000 0.757 1504 L CB -0.470 41.647 42.059 0.097 0.000 0.896 1504 L HN 0.308 nan 8.230 nan 0.000 0.434 1505 A N -0.755 122.114 122.820 0.081 0.000 1.935 1505 A HA -0.125 4.195 4.320 0.000 0.000 0.214 1505 A C 2.115 179.739 177.584 0.067 0.000 1.178 1505 A CA 1.103 53.181 52.037 0.068 0.000 0.640 1505 A CB -0.428 18.609 19.000 0.061 0.000 0.825 1505 A HN 0.666 nan 8.150 nan 0.000 0.447 1506 Q N 0.084 119.926 119.800 0.070 0.000 2.230 1506 Q HA 0.062 4.402 4.340 0.000 0.000 0.202 1506 Q C 1.844 177.901 176.000 0.095 0.000 0.963 1506 Q CA 1.094 56.937 55.803 0.067 0.000 0.866 1506 Q CB -0.396 28.378 28.738 0.060 0.000 0.931 1506 Q HN 0.598 nan 8.270 nan 0.000 0.452 1507 L N 0.385 121.684 121.223 0.127 0.000 2.005 1507 L HA -0.154 4.186 4.340 0.000 0.000 0.207 1507 L C 2.225 179.189 176.870 0.157 0.000 1.072 1507 L CA 1.105 56.055 54.840 0.183 0.000 0.744 1507 L CB -0.351 41.803 42.059 0.159 0.000 0.895 1507 L HN 0.267 nan 8.230 nan 0.000 0.433 1508 L N -0.543 120.746 121.223 0.110 0.000 2.362 1508 L HA -0.165 4.175 4.340 0.000 0.000 0.219 1508 L C 2.277 179.196 176.870 0.083 0.000 1.134 1508 L CA 0.643 55.538 54.840 0.091 0.000 0.807 1508 L CB -0.193 41.909 42.059 0.072 0.000 0.927 1508 L HN 0.326 nan 8.230 nan 0.000 0.447 1509 L N -0.828 120.440 121.223 0.075 0.000 2.341 1509 L HA -0.072 4.269 4.340 0.000 0.000 0.214 1509 L C 2.223 179.132 176.870 0.065 0.000 1.115 1509 L CA 0.639 55.512 54.840 0.055 0.000 0.820 1509 L CB -0.036 42.043 42.059 0.034 0.000 0.944 1509 L HN 0.213 nan 8.230 nan 0.000 0.452 1510 I N -0.215 120.405 120.570 0.083 0.000 2.676 1510 I HA -0.237 3.933 4.170 0.000 0.000 0.259 1510 I C 2.231 178.423 176.117 0.125 0.000 1.194 1510 I CA 0.769 62.112 61.300 0.072 0.000 1.473 1510 I CB -0.072 37.911 38.000 -0.027 0.000 1.096 1510 I HN 0.196 nan 8.210 nan 0.000 0.443 1511 L N -0.175 121.130 121.223 0.136 0.000 2.079 1511 L HA -0.215 4.125 4.340 0.000 0.000 0.210 1511 L C 2.583 179.525 176.870 0.119 0.000 1.081 1511 L CA 1.238 56.154 54.840 0.127 0.000 0.752 1511 L CB -0.934 41.190 42.059 0.108 0.000 0.896 1511 L HN 0.230 nan 8.230 nan 0.000 0.433 1512 S N -1.563 114.202 115.700 0.109 0.000 2.400 1512 S HA -0.250 4.220 4.470 0.000 0.000 0.232 1512 S C 1.867 176.567 174.600 0.168 0.000 1.025 1512 S CA 1.273 59.536 58.200 0.105 0.000 0.993 1512 S CB -0.499 62.735 63.200 0.056 0.000 0.808 1512 S HN 0.557 nan 8.310 nan 0.000 0.478 1513 H N 0.294 119.389 119.070 0.042 0.000 2.395 1513 H HA 0.090 4.647 4.556 0.000 0.000 0.299 1513 H C 1.959 177.346 175.328 0.097 0.000 1.070 1513 H CA 1.027 57.108 56.048 0.054 0.000 1.356 1513 H CB 0.011 29.766 29.762 -0.011 0.000 1.401 1513 H HN 0.297 nan 8.280 nan 0.000 0.524 1514 I N 0.163 120.824 120.570 0.151 0.000 2.286 1514 I HA -0.207 3.963 4.170 0.000 0.000 0.245 1514 I C 2.694 178.851 176.117 0.066 0.000 1.104 1514 I CA 0.878 62.214 61.300 0.061 0.000 1.397 1514 I CB -0.141 37.899 38.000 0.067 0.000 1.072 1514 I HN 0.143 nan 8.210 nan 0.000 0.417 1515 R N 0.592 121.146 120.500 0.089 0.000 2.096 1515 R HA -0.304 4.036 4.340 0.000 0.000 0.240 1515 R C 2.415 178.761 176.300 0.077 0.000 1.139 1515 R CA 2.186 58.326 56.100 0.066 0.000 0.952 1515 R CB -0.763 29.586 30.300 0.082 0.000 0.854 1515 R HN 0.467 nan 8.270 nan 0.000 0.436 1516 H N -0.567 118.541 119.070 0.063 0.000 2.422 1516 H HA -0.069 4.487 4.556 0.001 0.000 0.298 1516 H C 1.750 177.116 175.328 0.063 0.000 1.098 1516 H CA 2.453 58.543 56.048 0.070 0.000 1.315 1516 H CB -0.033 29.793 29.762 0.107 0.000 1.382 1516 H HN 0.277 nan 8.280 nan 0.000 0.523 1517 M N -1.000 118.602 119.600 0.004 0.000 2.236 1517 M HA -0.118 4.362 4.480 0.000 0.000 0.266 1517 M C 2.650 178.877 176.300 -0.121 0.000 1.070 1517 M CA 1.262 56.511 55.300 -0.084 0.000 1.137 1517 M CB -0.121 32.459 32.600 -0.032 0.000 1.378 1517 M HN 0.339 nan 8.290 nan 0.000 0.426 1518 S N 1.439 117.074 115.700 -0.108 0.000 2.359 1518 S HA -0.200 4.270 4.470 0.000 0.000 0.222 1518 S C 1.696 176.208 174.600 -0.147 0.000 1.038 1518 S CA 2.016 60.122 58.200 -0.155 0.000 1.051 1518 S CB -0.414 62.691 63.200 -0.158 0.000 0.944 1518 S HN 0.461 nan 8.310 nan 0.000 0.433 1519 N N 1.422 120.045 118.700 -0.129 0.000 2.104 1519 N HA -0.097 4.644 4.740 0.000 0.000 0.190 1519 N C 1.729 177.170 175.510 -0.115 0.000 1.024 1519 N CA 1.318 54.302 53.050 -0.110 0.000 0.853 1519 N CB -0.623 37.811 38.487 -0.089 0.000 1.008 1519 N HN 0.474 nan 8.380 nan 0.000 0.424 1520 K N 0.552 120.836 120.400 -0.193 0.000 2.015 1520 K HA -0.123 4.198 4.320 0.000 0.000 0.216 1520 K C 2.114 178.690 176.600 -0.039 0.000 1.052 1520 K CA 1.852 58.051 56.287 -0.147 0.000 0.937 1520 K CB -0.849 31.520 32.500 -0.219 0.000 0.719 1520 K HN 0.250 nan 8.250 nan 0.000 0.446 1521 G N 0.347 109.118 108.800 -0.047 0.000 2.476 1521 G HA2 -0.291 3.669 3.960 0.000 0.000 0.218 1521 G HA3 -0.291 3.669 3.960 0.000 0.000 0.218 1521 G C 1.367 176.294 174.900 0.045 0.000 1.164 1521 G CA 1.236 46.334 45.100 -0.004 0.000 0.768 1521 G HN 0.137 nan 8.290 nan 0.000 0.560 1522 M N 0.889 120.497 119.600 0.012 0.000 2.073 1522 M HA -0.094 4.386 4.480 0.000 0.000 0.258 1522 M C 2.392 178.800 176.300 0.179 0.000 1.070 1522 M CA 1.215 56.585 55.300 0.117 0.000 1.103 1522 M CB -1.438 31.190 32.600 0.045 0.000 1.321 1522 M HN 0.407 nan 8.290 nan 0.000 0.405 1523 E N -1.440 118.815 120.200 0.092 0.000 2.187 1523 E HA -0.253 4.097 4.350 0.000 0.000 0.199 1523 E C 2.016 178.674 176.600 0.096 0.000 1.004 1523 E CA 1.144 57.589 56.400 0.075 0.000 0.813 1523 E CB -0.283 29.433 29.700 0.027 0.000 0.736 1523 E HN 0.576 nan 8.360 nan 0.000 0.468 1524 H N -0.088 119.039 119.070 0.094 0.000 2.547 1524 H HA 0.157 4.713 4.556 0.000 0.000 0.272 1524 H C 2.029 177.425 175.328 0.114 0.000 0.971 1524 H CA 0.226 56.330 56.048 0.093 0.000 1.245 1524 H CB 0.302 30.105 29.762 0.068 0.000 1.440 1524 H HN 0.119 nan 8.280 nan 0.000 0.540 1525 L N -0.217 121.175 121.223 0.281 0.000 2.362 1525 L HA -0.188 4.153 4.340 0.000 0.000 0.219 1525 L C 1.263 178.242 176.870 0.182 0.000 1.134 1525 L CA 1.078 56.062 54.840 0.241 0.000 0.807 1525 L CB -0.210 42.019 42.059 0.283 0.000 0.927 1525 L HN 0.266 nan 8.230 nan 0.000 0.447 1526 Y N -1.461 118.906 120.300 0.112 0.000 2.458 1526 Y HA 0.074 4.624 4.550 0.000 0.000 0.254 1526 Y C 1.779 177.695 175.900 0.028 0.000 1.120 1526 Y CA -0.135 58.011 58.100 0.077 0.000 1.282 1526 Y CB 0.654 39.156 38.460 0.070 0.000 1.109 1526 Y HN 0.036 nan 8.280 nan 0.000 0.526 1536 L N -0.532 120.691 121.223 0.000 0.000 2.095 1536 L HA 0.028 4.368 4.340 0.000 0.000 0.204 1536 L C 2.425 179.309 176.870 0.022 0.000 1.080 1536 L CA 1.656 56.468 54.840 -0.046 0.000 0.759 1536 L CB -1.584 40.414 42.059 -0.101 0.000 0.914 1536 L HN 0.583 nan 8.230 nan 0.000 0.439 1537 Y N 0.964 121.256 120.300 -0.013 0.000 2.081 1537 Y HA -0.311 4.240 4.550 0.000 0.000 0.280 1537 Y C 2.204 178.101 175.900 -0.004 0.000 1.163 1537 Y CA 2.215 60.317 58.100 0.004 0.000 1.135 1537 Y CB -0.059 38.420 38.460 0.031 0.000 0.970 1537 Y HN 0.281 nan 8.280 nan 0.000 0.498 1538 D N -0.185 120.297 120.400 0.137 0.000 2.351 1538 D HA -0.126 4.515 4.640 0.000 0.000 0.216 1538 D C 1.796 178.083 176.300 -0.021 0.000 0.968 1538 D CA 0.755 54.790 54.000 0.059 0.000 0.899 1538 D CB -0.122 40.724 40.800 0.078 0.000 0.907 1538 D HN 0.347 nan 8.370 nan 0.000 0.514 1539 L N -0.170 121.024 121.223 -0.048 0.000 2.189 1539 L HA 0.093 4.433 4.340 0.000 0.000 0.199 1539 L C 1.946 178.763 176.870 -0.090 0.000 1.074 1539 L CA 0.987 55.787 54.840 -0.067 0.000 0.783 1539 L CB -0.405 41.606 42.059 -0.079 0.000 0.955 1539 L HN -0.086 nan 8.230 nan 0.000 0.460 1540 L N -0.924 120.226 121.223 -0.120 0.000 2.187 1540 L HA -0.234 4.106 4.340 0.000 0.000 0.213 1540 L C 2.515 179.304 176.870 -0.135 0.000 1.100 1540 L CA 0.927 55.694 54.840 -0.121 0.000 0.765 1540 L CB -0.801 41.176 42.059 -0.137 0.000 0.904 1540 L HN 0.305 nan 8.230 nan 0.000 0.437 1541 L N 0.131 121.247 121.223 -0.178 0.000 1.994 1541 L HA -0.233 4.107 4.340 0.000 0.000 0.208 1541 L C 2.871 179.692 176.870 -0.082 0.000 1.071 1541 L CA 1.929 56.680 54.840 -0.148 0.000 0.745 1541 L CB -0.486 41.490 42.059 -0.138 0.000 0.892 1541 L HN 0.470 nan 8.230 nan 0.000 0.431 1542 E N 0.397 120.558 120.200 -0.065 0.000 2.106 1542 E HA -0.240 4.111 4.350 0.000 0.000 0.192 1542 E C 2.145 178.719 176.600 -0.043 0.000 0.984 1542 E CA 1.325 57.697 56.400 -0.045 0.000 0.806 1542 E CB -0.016 29.661 29.700 -0.038 0.000 0.750 1542 E HN 0.514 nan 8.360 nan 0.000 0.458 1543 M N 0.370 119.941 119.600 -0.049 0.000 2.236 1543 M HA 0.119 4.600 4.480 0.000 0.000 0.266 1543 M C 1.464 177.747 176.300 -0.030 0.000 1.070 1543 M CA 0.598 55.874 55.300 -0.041 0.000 1.137 1543 M CB -0.148 32.426 32.600 -0.043 0.000 1.378 1543 M HN -0.005 nan 8.290 nan 0.000 0.426 1544 L N 0.000 121.204 121.223 -0.032 0.000 2.949 1544 L HA 0.000 4.340 4.340 0.000 0.000 0.249 1544 L CA 0.000 54.832 54.840 -0.013 0.000 0.813 1544 L CB 0.000 42.055 42.059 -0.007 0.000 0.961 1544 L HN 0.000 nan 8.230 nan 0.000 0.502