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 2ddu_1_A DATA FIRST_RESID 1294 DATA SEQUENCE LTLKPGYVLQ FKLNIGCTSQ FSSTAPVLLQ YSHDAGMSWF LVKEGcFPAS DATA SEQUENCE AGKGcEGNSR ELSEPTVYYT GDFEEWTRIT IAIPRSLASS KTRFRWIQEX DATA SEQUENCE XXXXXVPPFG LDGVYISEPc PSYcSGHGDc ISGVcFcDLG YTAAQGTcVS DATA SEQUENCE NTPNHSEMFD RFEGKLSPLW YKITGGQVGT GcGTLNDGRS LYFNGLGKRE DATA SEQUENCE ARTVPLDTRN IRLVQFYIQI GSKTSGITcI KPRARNEGLV VQYSNDNGIL DATA SEQUENCE WHLLRELDFM SFLEPQIISI DLPREAKTPA TAFRWWQPQH GKHSAQWALD DATA SEQUENCE DVLISRL 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 1294 L HA 0.000 nan 4.340 nan 0.000 0.249 1294 L C 0.000 176.907 176.870 0.061 0.000 1.165 1294 L CA 0.000 54.894 54.840 0.090 0.000 0.813 1294 L CB 0.000 42.158 42.059 0.164 0.000 0.961 1295 T N 3.458 118.040 114.554 0.047 0.000 2.832 1295 T HA 0.589 4.943 4.350 0.006 0.000 0.296 1295 T C -0.754 173.921 174.700 -0.042 0.000 0.968 1295 T CA -0.182 61.915 62.100 -0.005 0.000 1.107 1295 T CB 0.232 69.090 68.868 -0.015 0.000 0.916 1295 T HN 0.306 nan 8.240 nan 0.000 0.517 1296 L N 4.480 125.623 121.223 -0.132 0.000 2.381 1296 L HA 0.590 4.933 4.340 0.006 0.000 0.268 1296 L C 0.061 176.635 176.870 -0.493 0.000 0.997 1296 L CA -0.808 53.837 54.840 -0.324 0.000 0.818 1296 L CB 2.304 44.319 42.059 -0.073 0.000 1.310 1296 L HN 0.775 nan 8.230 nan 0.000 0.416 1297 K N 3.013 122.795 120.400 -1.030 0.000 2.208 1297 K HA 0.407 4.731 4.320 0.006 0.000 0.247 1297 K C -1.710 174.740 176.600 -0.251 0.000 0.953 1297 K CA -1.612 54.340 56.287 -0.558 0.000 0.837 1297 K CB 1.824 34.067 32.500 -0.429 0.000 1.131 1297 K HN 0.211 nan 8.250 nan 0.000 0.431 1298 P HA -0.254 nan 4.420 nan 0.000 0.207 1298 P C 0.940 178.328 177.300 0.147 0.000 1.115 1298 P CA 1.530 64.655 63.100 0.042 0.000 0.956 1298 P CB -0.066 31.660 31.700 0.044 0.000 0.774 1299 G N -2.805 106.116 108.800 0.202 0.000 3.028 1299 G HA2 -0.124 3.839 3.960 0.006 0.000 0.205 1299 G HA3 -0.124 3.839 3.960 0.006 0.000 0.205 1299 G C 0.107 175.230 174.900 0.372 0.000 1.182 1299 G CA -0.006 45.250 45.100 0.260 0.000 0.860 1299 G HN 0.154 nan 8.290 nan 0.000 0.507 1300 Y N -1.096 119.285 120.300 0.134 0.000 2.321 1300 Y HA 0.352 4.904 4.550 0.005 0.000 0.353 1300 Y C 0.561 176.568 175.900 0.180 0.000 1.276 1300 Y CA -0.746 57.443 58.100 0.148 0.000 1.545 1300 Y CB 0.814 39.350 38.460 0.126 0.000 1.377 1300 Y HN -0.064 nan 8.280 nan 0.000 0.650 1301 V N 3.309 123.392 119.914 0.283 0.000 2.760 1301 V HA 0.489 4.613 4.120 0.006 0.000 0.309 1301 V C -1.556 174.636 176.094 0.164 0.000 1.077 1301 V CA -1.042 61.375 62.300 0.195 0.000 0.910 1301 V CB 1.789 33.746 31.823 0.224 0.000 1.008 1301 V HN 0.635 nan 8.190 nan 0.000 0.424 1302 L N 6.111 127.397 121.223 0.105 0.000 2.287 1302 L HA 0.678 5.021 4.340 0.006 0.000 0.287 1302 L C -0.603 176.351 176.870 0.139 0.000 1.022 1302 L CA -0.160 54.736 54.840 0.093 0.000 0.814 1302 L CB 1.455 43.478 42.059 -0.059 0.000 1.217 1302 L HN 0.803 nan 8.230 nan 0.000 0.420 1303 Q N 5.162 125.082 119.800 0.200 0.000 2.397 1303 Q HA 0.694 5.038 4.340 0.006 0.000 0.275 1303 Q C -1.516 174.618 176.000 0.224 0.000 1.090 1303 Q CA -0.534 55.360 55.803 0.152 0.000 0.809 1303 Q CB 2.898 31.740 28.738 0.173 0.000 1.362 1303 Q HN 0.589 nan 8.270 nan 0.000 0.431 1304 F N -1.925 118.015 119.950 -0.017 0.000 2.807 1304 F HA 0.629 5.160 4.527 0.006 0.000 0.316 1304 F C -1.843 173.930 175.800 -0.045 0.000 1.162 1304 F CA -1.353 56.582 58.000 -0.109 0.000 0.910 1304 F CB 1.068 39.993 39.000 -0.126 0.000 1.314 1304 F HN 0.135 nan 8.300 nan 0.000 0.454 1305 K N 1.905 122.386 120.400 0.135 0.000 2.208 1305 K HA 0.781 5.104 4.320 0.006 0.000 0.247 1305 K C -1.713 175.138 176.600 0.419 0.000 0.953 1305 K CA -0.803 55.605 56.287 0.202 0.000 0.837 1305 K CB 2.818 35.433 32.500 0.192 0.000 1.131 1305 K HN 0.863 nan 8.250 nan 0.000 0.431 1306 L N 1.826 123.259 121.223 0.350 0.000 2.505 1306 L HA 0.352 4.695 4.340 0.006 0.000 0.266 1306 L C -1.515 175.266 176.870 -0.148 0.000 0.954 1306 L CA -0.566 54.326 54.840 0.086 0.000 0.852 1306 L CB 2.034 43.961 42.059 -0.221 0.000 1.282 1306 L HN 0.646 nan 8.230 nan 0.000 0.403 1307 N N 4.530 122.943 118.700 -0.478 0.000 2.519 1307 N HA 0.377 5.120 4.740 0.006 0.000 0.286 1307 N C 0.265 175.583 175.510 -0.320 0.000 1.079 1307 N CA -0.369 52.322 53.050 -0.598 0.000 0.878 1307 N CB 1.813 39.449 38.487 -1.419 0.000 1.375 1307 N HN 0.595 nan 8.380 nan 0.000 0.514 1308 I N 1.072 121.572 120.570 -0.117 0.000 2.277 1308 I HA 0.129 4.302 4.170 0.006 0.000 0.243 1308 I C 1.352 177.450 176.117 -0.032 0.000 1.094 1308 I CA 0.972 62.267 61.300 -0.009 0.000 1.393 1308 I CB 0.222 38.258 38.000 0.058 0.000 1.078 1308 I HN 0.686 nan 8.210 nan 0.000 0.417 1309 G N -0.957 107.814 108.800 -0.049 0.000 5.473 1309 G HA2 0.099 4.063 3.960 0.006 0.000 0.206 1309 G HA3 0.099 4.063 3.960 0.006 0.000 0.206 1309 G C 0.290 175.165 174.900 -0.042 0.000 0.904 1309 G CA -0.266 44.805 45.100 -0.048 0.000 0.697 1309 G HN 0.233 nan 8.290 nan 0.000 0.279 1310 C N 0.925 120.185 119.300 -0.067 0.000 3.989 1310 C HA -0.144 4.319 4.460 0.006 0.000 0.297 1310 C C 1.085 176.067 174.990 -0.013 0.000 1.435 1310 C CA 0.814 59.804 59.018 -0.048 0.000 2.040 1310 C CB -3.209 24.503 27.740 -0.047 0.000 1.308 1310 C HN 0.730 nan 8.230 nan 0.000 0.704 1311 T N -0.834 113.724 114.554 0.007 0.000 2.824 1311 T HA 0.442 4.796 4.350 0.006 0.000 0.280 1311 T C 0.859 175.579 174.700 0.033 0.000 0.995 1311 T CA -0.220 61.893 62.100 0.020 0.000 1.009 1311 T CB 2.033 70.917 68.868 0.027 0.000 0.955 1311 T HN 0.282 nan 8.240 nan 0.000 0.452 1312 S N 1.252 116.967 115.700 0.025 0.000 2.478 1312 S HA 0.050 4.523 4.470 0.006 0.000 0.222 1312 S C 0.924 175.556 174.600 0.053 0.000 1.008 1312 S CA 0.367 58.582 58.200 0.026 0.000 0.928 1312 S CB 0.059 63.260 63.200 0.001 0.000 0.781 1312 S HN 0.598 nan 8.310 nan 0.000 0.518 1313 Q N 0.613 120.446 119.800 0.056 0.000 2.314 1313 Q HA 0.245 4.589 4.340 0.006 0.000 0.258 1313 Q C -0.766 175.313 176.000 0.132 0.000 0.954 1313 Q CA -0.147 55.705 55.803 0.082 0.000 0.890 1313 Q CB 0.646 29.414 28.738 0.051 0.000 1.210 1313 Q HN 0.360 nan 8.270 nan 0.000 0.410 1314 F N 1.289 121.251 119.950 0.020 0.000 2.375 1314 F HA 0.328 4.858 4.527 0.006 0.000 0.333 1314 F C -0.188 175.644 175.800 0.054 0.000 1.104 1314 F CA -0.061 57.967 58.000 0.046 0.000 1.149 1314 F CB 1.353 40.362 39.000 0.014 0.000 1.190 1314 F HN 0.349 nan 8.300 nan 0.000 0.533 1315 S N 3.041 118.199 115.700 -0.903 0.000 2.571 1315 S HA 0.286 4.760 4.470 0.006 0.000 0.284 1315 S C 0.039 174.031 174.600 -1.014 0.000 1.128 1315 S CA -0.462 57.337 58.200 -0.669 0.000 0.970 1315 S CB 1.675 64.715 63.200 -0.267 0.000 1.039 1315 S HN 0.783 nan 8.310 nan 0.000 0.485 1316 S N 2.494 117.951 115.700 -0.405 0.000 2.558 1316 S HA 0.011 4.484 4.470 0.006 0.000 0.217 1316 S C 1.912 176.522 174.600 0.017 0.000 0.975 1316 S CA 1.228 59.415 58.200 -0.022 0.000 0.912 1316 S CB -0.459 62.912 63.200 0.286 0.000 0.776 1316 S HN 0.931 nan 8.310 nan 0.000 0.526 1317 T N -0.109 114.418 114.554 -0.045 0.000 2.622 1317 T HA 0.152 4.506 4.350 0.006 0.000 0.266 1317 T C 0.702 175.400 174.700 -0.003 0.000 1.047 1317 T CA 1.010 63.104 62.100 -0.009 0.000 1.159 1317 T CB -0.393 68.463 68.868 -0.020 0.000 0.863 1317 T HN 0.463 nan 8.240 nan 0.000 0.422 1318 A N 2.462 125.267 122.820 -0.025 0.000 2.684 1318 A HA 0.651 4.974 4.320 0.006 0.000 0.289 1318 A C -3.037 174.528 177.584 -0.033 0.000 1.139 1318 A CA -1.510 50.516 52.037 -0.018 0.000 0.793 1318 A CB 1.247 20.244 19.000 -0.005 0.000 1.334 1318 A HN 0.369 nan 8.150 nan 0.000 0.408 1319 P HA 0.425 nan 4.420 nan 0.000 0.279 1319 P C -0.239 176.956 177.300 -0.175 0.000 1.252 1319 P CA -0.310 62.726 63.100 -0.107 0.000 0.811 1319 P CB 1.409 32.963 31.700 -0.243 0.000 1.035 1320 V N 2.809 122.603 119.914 -0.199 0.000 2.427 1320 V HA 0.065 4.188 4.120 0.006 0.000 0.268 1320 V C 0.504 176.433 176.094 -0.274 0.000 1.046 1320 V CA -0.091 62.030 62.300 -0.298 0.000 0.970 1320 V CB -0.262 31.339 31.823 -0.370 0.000 1.001 1320 V HN 0.306 nan 8.190 nan 0.000 0.476 1321 L N 6.335 127.373 121.223 -0.308 0.000 2.257 1321 L HA 0.402 4.745 4.340 0.006 0.000 0.290 1321 L C -0.234 176.422 176.870 -0.356 0.000 1.044 1321 L CA -0.193 54.452 54.840 -0.324 0.000 0.810 1321 L CB 1.202 43.099 42.059 -0.270 0.000 1.193 1321 L HN 0.509 nan 8.230 nan 0.000 0.425 1322 L N 4.585 125.591 121.223 -0.362 0.000 2.295 1322 L HA 0.395 4.738 4.340 0.006 0.000 0.288 1322 L C -0.320 176.379 176.870 -0.285 0.000 1.079 1322 L CA 0.481 55.033 54.840 -0.479 0.000 0.830 1322 L CB 0.208 42.072 42.059 -0.324 0.000 1.200 1322 L HN 0.630 nan 8.230 nan 0.000 0.438 1323 Q N 4.013 123.653 119.800 -0.267 0.000 2.416 1323 Q HA 0.515 4.858 4.340 0.006 0.000 0.279 1323 Q C -1.504 174.639 176.000 0.239 0.000 1.101 1323 Q CA -0.754 55.048 55.803 -0.001 0.000 0.830 1323 Q CB 2.518 31.232 28.738 -0.039 0.000 1.402 1323 Q HN 0.675 nan 8.270 nan 0.000 0.445 1324 Y N -2.210 118.204 120.300 0.190 0.000 2.659 1324 Y HA 0.834 5.385 4.550 0.003 0.000 0.333 1324 Y C -0.709 175.081 175.900 -0.182 0.000 1.064 1324 Y CA -1.163 56.942 58.100 0.008 0.000 1.141 1324 Y CB 1.910 40.268 38.460 -0.170 0.000 1.316 1324 Y HN 0.450 nan 8.280 nan 0.000 0.509 1325 S N 0.252 115.717 115.700 -0.392 0.000 2.720 1325 S HA 0.328 4.801 4.470 0.006 0.000 0.278 1325 S C -0.722 173.644 174.600 -0.390 0.000 1.172 1325 S CA -0.556 57.209 58.200 -0.725 0.000 1.019 1325 S CB 0.287 62.734 63.200 -1.255 0.000 1.049 1325 S HN 0.829 nan 8.310 nan 0.000 0.483 1326 H N 3.082 121.980 119.070 -0.286 0.000 2.431 1326 H HA 0.080 4.639 4.556 0.004 0.000 0.295 1326 H C 0.968 176.164 175.328 -0.219 0.000 1.038 1326 H CA 1.606 57.550 56.048 -0.174 0.000 1.360 1326 H CB 0.091 29.807 29.762 -0.076 0.000 1.433 1326 H HN 0.762 nan 8.280 nan 0.000 0.536 1327 D N -0.222 120.077 120.400 -0.168 0.000 2.325 1327 D HA 0.272 4.916 4.640 0.006 0.000 0.234 1327 D C 0.559 176.712 176.300 -0.245 0.000 1.122 1327 D CA 0.480 54.363 54.000 -0.195 0.000 0.850 1327 D CB -0.197 40.477 40.800 -0.211 0.000 0.921 1327 D HN 0.197 nan 8.370 nan 0.000 0.513 1328 A N -0.629 122.020 122.820 -0.284 0.000 2.362 1328 A HA 0.122 4.446 4.320 0.006 0.000 0.290 1328 A C 1.414 178.834 177.584 -0.272 0.000 1.441 1328 A CA 0.974 52.855 52.037 -0.260 0.000 0.743 1328 A CB -1.576 17.344 19.000 -0.135 0.000 1.125 1328 A HN 1.231 nan 8.150 nan 0.000 0.378 1329 G N -0.818 107.692 108.800 -0.483 0.000 4.020 1329 G HA2 -0.026 3.938 3.960 0.006 0.000 0.195 1329 G HA3 -0.026 3.938 3.960 0.006 0.000 0.195 1329 G C 1.015 175.681 174.900 -0.390 0.000 1.819 1329 G CA 0.572 45.486 45.100 -0.311 0.000 1.109 1329 G HN 1.683 nan 8.290 nan 0.000 0.385 1330 M N 0.651 120.032 119.600 -0.364 0.000 2.435 1330 M HA 0.509 4.992 4.480 0.006 0.000 0.265 1330 M C 1.127 177.216 176.300 -0.351 0.000 1.104 1330 M CA 1.499 56.653 55.300 -0.243 0.000 1.140 1330 M CB 0.423 32.931 32.600 -0.153 0.000 1.372 1330 M HN 0.345 nan 8.290 nan 0.000 0.456 1331 S N -0.080 115.253 115.700 -0.612 0.000 2.454 1331 S HA 0.530 5.004 4.470 0.006 0.000 0.306 1331 S C -2.026 171.994 174.600 -0.967 0.000 1.100 1331 S CA -0.729 57.089 58.200 -0.638 0.000 1.087 1331 S CB 0.641 63.483 63.200 -0.597 0.000 1.019 1331 S HN 0.445 nan 8.310 nan 0.000 0.480 1332 W N 4.543 125.565 121.300 -0.464 0.000 2.683 1332 W HA 0.585 5.249 4.660 0.006 0.000 0.329 1332 W C -0.833 175.461 176.519 -0.376 0.000 1.037 1332 W CA -0.723 56.356 57.345 -0.444 0.000 1.232 1332 W CB 1.048 30.360 29.460 -0.247 0.000 1.390 1332 W HN 0.498 nan 8.180 nan 0.000 0.465 1333 F N 2.552 122.282 119.950 -0.368 0.000 2.538 1333 F HA 0.534 5.066 4.527 0.008 0.000 0.325 1333 F C 0.453 176.097 175.800 -0.260 0.000 1.066 1333 F CA -1.568 56.211 58.000 -0.369 0.000 0.946 1333 F CB 1.356 40.047 39.000 -0.516 0.000 1.199 1333 F HN -0.167 nan 8.300 nan 0.000 0.473 1334 L N 2.066 123.356 121.223 0.111 0.000 2.456 1334 L HA 0.016 4.359 4.340 0.006 0.000 0.272 1334 L C 1.134 178.176 176.870 0.287 0.000 1.189 1334 L CA -0.214 54.682 54.840 0.095 0.000 0.846 1334 L CB 0.715 42.768 42.059 -0.010 0.000 1.111 1334 L HN 0.586 nan 8.230 nan 0.000 0.475 1335 V N 1.459 121.546 119.914 0.289 0.000 2.287 1335 V HA -0.182 3.941 4.120 0.006 0.000 0.248 1335 V C 0.888 177.067 176.094 0.141 0.000 1.053 1335 V CA 1.678 64.150 62.300 0.286 0.000 1.027 1335 V CB -0.506 31.412 31.823 0.158 0.000 0.646 1335 V HN 0.642 nan 8.190 nan 0.000 0.447 1336 K N -0.105 120.339 120.400 0.074 0.000 2.463 1336 K HA 0.288 4.611 4.320 0.006 0.000 0.255 1336 K C 0.646 177.232 176.600 -0.023 0.000 0.942 1336 K CA -0.253 56.050 56.287 0.026 0.000 0.814 1336 K CB 2.296 34.808 32.500 0.020 0.000 1.122 1336 K HN 0.190 nan 8.250 nan 0.000 0.425 1337 E N 1.611 121.775 120.200 -0.060 0.000 2.208 1337 E HA -0.049 4.305 4.350 0.006 0.000 0.193 1337 E C 0.099 176.552 176.600 -0.245 0.000 0.988 1337 E CA 0.601 56.916 56.400 -0.143 0.000 0.828 1337 E CB 0.222 29.820 29.700 -0.169 0.000 0.763 1337 E HN 0.897 nan 8.360 nan 0.000 0.478 1338 G N 0.130 108.807 108.800 -0.205 0.000 3.233 1338 G HA2 -0.192 3.772 3.960 0.006 0.000 0.686 1338 G HA3 -0.192 3.772 3.960 0.006 0.000 0.686 1338 G C -0.895 173.805 174.900 -0.333 0.000 1.153 1338 G CA -0.348 44.572 45.100 -0.301 0.000 0.853 1338 G HN 0.236 nan 8.290 nan 0.000 0.582 1339 c N 4.720 123.335 118.600 0.025 0.000 2.239 1339 c HA 0.821 5.394 4.570 0.006 0.000 0.323 1339 c C 0.497 174.844 174.090 0.428 0.000 1.205 1339 c CA -0.775 55.622 56.329 0.113 0.000 1.584 1339 c CB -1.586 40.991 42.510 0.112 0.000 2.201 1339 c HN 0.498 nan 8.230 nan 0.000 0.475 1340 F N 5.666 125.642 119.950 0.043 0.000 2.523 1340 F HA 0.380 4.911 4.527 0.006 0.000 0.329 1340 F C -1.182 174.589 175.800 -0.049 0.000 1.061 1340 F CA -2.475 55.515 58.000 -0.017 0.000 0.967 1340 F CB 1.784 40.754 39.000 -0.052 0.000 1.218 1340 F HN 0.331 nan 8.300 nan 0.000 0.480 1341 P HA -0.250 nan 4.420 nan 0.000 0.216 1341 P C 0.888 178.187 177.300 -0.002 0.000 1.154 1341 P CA 2.001 65.094 63.100 -0.011 0.000 0.865 1341 P CB 0.068 31.703 31.700 -0.108 0.000 0.789 1342 A N -1.560 121.260 122.820 0.000 0.000 2.123 1342 A HA 0.080 4.404 4.320 0.006 0.000 0.214 1342 A C 1.171 178.760 177.584 0.009 0.000 1.152 1342 A CA 0.305 52.331 52.037 -0.019 0.000 0.728 1342 A CB -0.821 18.145 19.000 -0.058 0.000 0.814 1342 A HN 0.127 nan 8.150 nan 0.000 0.464 1343 S N 0.053 115.779 115.700 0.044 0.000 2.560 1343 S HA 0.432 4.905 4.470 0.006 0.000 0.284 1343 S C 0.255 174.857 174.600 0.003 0.000 1.327 1343 S CA 0.498 58.705 58.200 0.011 0.000 1.055 1343 S CB 0.924 64.125 63.200 0.001 0.000 0.868 1343 S HN 0.985 nan 8.310 nan 0.000 0.506 1344 A N 2.327 125.139 122.820 -0.013 0.000 3.399 1344 A HA 0.608 4.931 4.320 0.006 0.000 0.262 1344 A C 0.353 177.927 177.584 -0.018 0.000 1.145 1344 A CA -0.266 51.765 52.037 -0.009 0.000 0.916 1344 A CB -0.017 18.980 19.000 -0.006 0.000 1.360 1344 A HN 0.863 nan 8.150 nan 0.000 0.628 1345 G N 0.095 108.880 108.800 -0.024 0.000 3.341 1345 G HA2 0.527 4.490 3.960 0.006 0.000 0.177 1345 G HA3 0.527 4.490 3.960 0.006 0.000 0.177 1345 G C -0.284 174.604 174.900 -0.019 0.000 1.236 1345 G CA -0.475 44.608 45.100 -0.029 0.000 0.888 1345 G HN 0.354 nan 8.290 nan 0.000 0.644 1346 K N -0.100 120.287 120.400 -0.022 0.000 2.182 1346 K HA 0.496 4.819 4.320 0.006 0.000 0.262 1346 K C 0.425 177.021 176.600 -0.007 0.000 0.957 1346 K CA 0.182 56.463 56.287 -0.009 0.000 0.842 1346 K CB 1.640 34.137 32.500 -0.004 0.000 1.099 1346 K HN 0.959 nan 8.250 nan 0.000 0.438 1347 G N 1.311 110.113 108.800 0.003 0.000 2.143 1347 G HA2 -0.262 3.701 3.960 0.006 0.000 0.249 1347 G HA3 -0.262 3.701 3.960 0.006 0.000 0.249 1347 G C -0.028 174.877 174.900 0.008 0.000 0.981 1347 G CA 0.247 45.351 45.100 0.007 0.000 0.665 1347 G HN 0.646 nan 8.290 nan 0.000 0.528 1348 c N 1.263 119.867 118.600 0.007 0.000 3.079 1348 c HA 0.595 5.168 4.570 0.006 0.000 0.246 1348 c C -0.272 173.827 174.090 0.016 0.000 1.025 1348 c CA 0.102 56.440 56.329 0.015 0.000 1.081 1348 c CB -0.772 41.742 42.510 0.008 0.000 1.757 1348 c HN 0.709 nan 8.230 nan 0.000 0.646 1349 E N 1.822 122.033 120.200 0.019 0.000 2.356 1349 E HA 0.653 5.006 4.350 0.006 0.000 0.275 1349 E C 0.596 177.209 176.600 0.023 0.000 0.904 1349 E CA -0.046 56.365 56.400 0.018 0.000 0.757 1349 E CB 1.555 31.262 29.700 0.011 0.000 1.232 1349 E HN 1.078 nan 8.360 nan 0.000 0.442 1350 G N 3.444 112.258 108.800 0.023 0.000 2.574 1350 G HA2 -0.392 3.572 3.960 0.006 0.000 0.286 1350 G HA3 -0.392 3.572 3.960 0.006 0.000 0.286 1350 G C 0.343 175.263 174.900 0.033 0.000 1.212 1350 G CA 0.556 45.672 45.100 0.026 0.000 0.979 1350 G HN 0.948 nan 8.290 nan 0.000 0.557 1351 N N 0.619 119.339 118.700 0.034 0.000 2.235 1351 N HA 0.226 4.970 4.740 0.006 0.000 0.209 1351 N C 1.496 177.033 175.510 0.044 0.000 1.122 1351 N CA 1.316 54.391 53.050 0.041 0.000 0.845 1351 N CB 0.422 38.933 38.487 0.039 0.000 1.004 1351 N HN 1.135 nan 8.380 nan 0.000 0.499 1352 S N -0.519 115.206 115.700 0.040 0.000 2.523 1352 S HA 0.078 4.552 4.470 0.006 0.000 0.217 1352 S C 0.744 175.369 174.600 0.042 0.000 0.996 1352 S CA -0.857 57.368 58.200 0.041 0.000 0.921 1352 S CB -0.006 63.215 63.200 0.034 0.000 0.829 1352 S HN 0.417 nan 8.310 nan 0.000 0.495 1353 R N 1.354 121.880 120.500 0.043 0.000 2.623 1353 R HA 0.262 4.605 4.340 0.006 0.000 0.271 1353 R C -1.114 175.217 176.300 0.051 0.000 1.043 1353 R CA 0.032 56.160 56.100 0.047 0.000 1.083 1353 R CB 0.103 30.435 30.300 0.052 0.000 0.974 1353 R HN 0.074 nan 8.270 nan 0.000 0.436 1354 E N 4.403 124.631 120.200 0.048 0.000 2.141 1354 E HA 0.209 4.563 4.350 0.006 0.000 0.259 1354 E C -0.288 176.365 176.600 0.089 0.000 0.883 1354 E CA -0.759 55.667 56.400 0.043 0.000 0.744 1354 E CB 1.397 31.095 29.700 -0.004 0.000 1.150 1354 E HN 0.506 nan 8.360 nan 0.000 0.420 1355 L N 1.975 123.280 121.223 0.136 0.000 2.513 1355 L HA 0.124 4.467 4.340 0.006 0.000 0.272 1355 L C 0.710 177.753 176.870 0.289 0.000 1.187 1355 L CA 0.521 55.518 54.840 0.261 0.000 0.895 1355 L CB 0.233 42.462 42.059 0.282 0.000 1.147 1355 L HN 0.304 nan 8.230 nan 0.000 0.483 1356 S N 1.952 117.881 115.700 0.382 0.000 2.533 1356 S HA 0.364 4.837 4.470 0.006 0.000 0.271 1356 S C -0.922 173.870 174.600 0.319 0.000 1.143 1356 S CA -0.933 57.346 58.200 0.132 0.000 0.891 1356 S CB 1.288 64.527 63.200 0.066 0.000 1.105 1356 S HN 0.618 nan 8.310 nan 0.000 0.468 1357 E N 3.810 123.993 120.200 -0.029 0.000 2.390 1357 E HA 0.317 4.670 4.350 0.006 0.000 0.261 1357 E C -2.222 174.497 176.600 0.199 0.000 1.076 1357 E CA -1.584 54.965 56.400 0.248 0.000 0.905 1357 E CB 0.172 29.841 29.700 -0.051 0.000 0.984 1357 E HN 0.391 nan 8.360 nan 0.000 0.427 1358 P HA -0.027 nan 4.420 nan 0.000 0.274 1358 P C -0.209 177.044 177.300 -0.078 0.000 1.237 1358 P CA -0.316 62.801 63.100 0.029 0.000 0.793 1358 P CB 0.448 32.155 31.700 0.012 0.000 0.977 1359 T N -1.455 113.004 114.554 -0.158 0.000 4.309 1359 T HA 0.336 4.690 4.350 0.006 0.000 0.242 1359 T C 0.162 174.401 174.700 -0.769 0.000 1.142 1359 T CA -0.437 61.446 62.100 -0.362 0.000 1.042 1359 T CB -1.278 67.540 68.868 -0.083 0.000 1.366 1359 T HN 0.127 nan 8.240 nan 0.000 0.942 1360 V N 2.282 121.673 119.914 -0.871 0.000 2.531 1360 V HA 0.433 4.556 4.120 0.006 0.000 0.301 1360 V C -1.137 174.442 176.094 -0.858 0.000 1.034 1360 V CA -1.276 60.538 62.300 -0.811 0.000 0.865 1360 V CB 1.240 32.742 31.823 -0.535 0.000 0.995 1360 V HN 0.656 nan 8.190 nan 0.000 0.424 1361 Y N 3.747 123.890 120.300 -0.261 0.000 2.447 1361 Y HA 0.540 5.093 4.550 0.005 0.000 0.325 1361 Y C -0.383 175.500 175.900 -0.028 0.000 0.976 1361 Y CA -0.796 57.292 58.100 -0.020 0.000 1.280 1361 Y CB 0.961 39.317 38.460 -0.172 0.000 1.104 1361 Y HN 0.557 nan 8.280 nan 0.000 0.486 1362 Y N 0.979 121.549 120.300 0.449 0.000 2.377 1362 Y HA 0.109 4.663 4.550 0.007 0.000 0.330 1362 Y C 1.192 177.277 175.900 0.307 0.000 1.108 1362 Y CA -0.516 57.777 58.100 0.321 0.000 1.308 1362 Y CB 0.888 39.651 38.460 0.504 0.000 1.216 1362 Y HN 0.479 nan 8.280 nan 0.000 0.518 1363 T N 2.007 116.696 114.554 0.225 0.000 2.871 1363 T HA 0.321 4.674 4.350 0.006 0.000 0.296 1363 T C 1.175 175.969 174.700 0.157 0.000 0.998 1363 T CA 0.926 63.108 62.100 0.137 0.000 1.162 1363 T CB -0.293 68.574 68.868 -0.002 0.000 0.947 1363 T HN 1.083 nan 8.240 nan 0.000 0.536 1364 G N 4.459 113.378 108.800 0.198 0.000 2.259 1364 G HA2 -0.188 3.775 3.960 0.006 0.000 0.217 1364 G HA3 -0.188 3.775 3.960 0.006 0.000 0.217 1364 G C 0.651 175.657 174.900 0.177 0.000 1.001 1364 G CA 0.385 45.599 45.100 0.189 0.000 0.627 1364 G HN 0.677 nan 8.290 nan 0.000 0.501 1365 D N -0.167 120.370 120.400 0.228 0.000 2.349 1365 D HA 0.246 4.889 4.640 0.006 0.000 0.215 1365 D C 0.424 176.546 176.300 -0.297 0.000 1.016 1365 D CA 0.343 54.346 54.000 0.005 0.000 0.870 1365 D CB -0.036 40.798 40.800 0.056 0.000 0.917 1365 D HN 0.378 nan 8.370 nan 0.000 0.524 1366 F N 1.016 121.017 119.950 0.085 0.000 2.530 1366 F HA 0.219 4.750 4.527 0.007 0.000 0.318 1366 F C 1.560 177.337 175.800 -0.039 0.000 1.356 1366 F CA -0.600 57.411 58.000 0.019 0.000 1.135 1366 F CB 0.839 39.843 39.000 0.008 0.000 1.315 1366 F HN -0.304 nan 8.300 nan 0.000 0.549 1367 E N 0.714 120.942 120.200 0.046 0.000 2.023 1367 E HA -0.111 4.243 4.350 0.006 0.000 0.196 1367 E C 0.878 177.461 176.600 -0.028 0.000 1.003 1367 E CA 1.298 57.702 56.400 0.006 0.000 0.809 1367 E CB 0.280 29.974 29.700 -0.009 0.000 0.755 1367 E HN 0.480 nan 8.360 nan 0.000 0.449 1368 E N -0.497 119.699 120.200 -0.007 0.000 2.446 1368 E HA 0.146 4.499 4.350 0.006 0.000 0.251 1368 E C -0.303 176.297 176.600 0.001 0.000 1.087 1368 E CA -0.741 55.659 56.400 -0.001 0.000 0.937 1368 E CB -0.210 29.532 29.700 0.071 0.000 1.254 1368 E HN 0.008 nan 8.360 nan 0.000 0.479 1369 W N 0.889 122.245 121.300 0.092 0.000 2.251 1369 W HA 0.164 4.827 4.660 0.005 0.000 0.327 1369 W C 0.085 176.671 176.519 0.112 0.000 1.361 1369 W CA 0.383 57.786 57.345 0.097 0.000 1.234 1369 W CB 0.630 30.128 29.460 0.065 0.000 1.212 1369 W HN 0.029 nan 8.180 nan 0.000 0.557 1370 T N 4.663 119.445 114.554 0.379 0.000 2.890 1370 T HA 0.248 4.602 4.350 0.006 0.000 0.295 1370 T C -0.373 174.425 174.700 0.164 0.000 0.993 1370 T CA -0.950 61.321 62.100 0.283 0.000 0.979 1370 T CB 0.999 70.093 68.868 0.377 0.000 0.967 1370 T HN 0.317 nan 8.240 nan 0.000 0.441 1371 R N 3.775 124.333 120.500 0.098 0.000 2.347 1371 R HA 0.422 4.765 4.340 0.006 0.000 0.304 1371 R C -0.921 175.279 176.300 -0.167 0.000 1.072 1371 R CA -0.199 55.871 56.100 -0.051 0.000 0.980 1371 R CB 0.175 30.476 30.300 0.001 0.000 0.986 1371 R HN 0.600 nan 8.270 nan 0.000 0.448 1372 I N 3.513 123.795 120.570 -0.479 0.000 2.378 1372 I HA 0.208 4.381 4.170 0.006 0.000 0.291 1372 I C -0.388 175.493 176.117 -0.394 0.000 0.992 1372 I CA -0.377 60.618 61.300 -0.510 0.000 1.154 1372 I CB 2.324 39.799 38.000 -0.875 0.000 1.315 1372 I HN 0.544 nan 8.210 nan 0.000 0.448 1373 T N 7.268 121.710 114.554 -0.187 0.000 2.815 1373 T HA 0.599 4.952 4.350 0.006 0.000 0.289 1373 T C -0.303 174.332 174.700 -0.107 0.000 1.000 1373 T CA -0.287 61.739 62.100 -0.124 0.000 0.958 1373 T CB 0.734 69.525 68.868 -0.129 0.000 0.944 1373 T HN 0.224 nan 8.240 nan 0.000 0.442 1374 I N 2.638 123.174 120.570 -0.057 0.000 2.389 1374 I HA 0.547 4.720 4.170 0.006 0.000 0.288 1374 I C 0.488 176.558 176.117 -0.080 0.000 0.999 1374 I CA -1.037 60.233 61.300 -0.050 0.000 1.129 1374 I CB 1.549 39.564 38.000 0.025 0.000 1.288 1374 I HN 0.639 nan 8.210 nan 0.000 0.444 1375 A N 7.794 130.522 122.820 -0.154 0.000 2.395 1375 A HA 0.391 4.714 4.320 0.006 0.000 0.286 1375 A C 0.166 177.745 177.584 -0.008 0.000 1.193 1375 A CA -0.408 51.550 52.037 -0.133 0.000 0.852 1375 A CB -0.207 18.643 19.000 -0.251 0.000 1.118 1375 A HN 0.543 nan 8.150 nan 0.000 0.524 1376 I N 5.673 126.285 120.570 0.071 0.000 2.671 1376 I HA 0.067 4.241 4.170 0.006 0.000 0.285 1376 I C -1.747 174.409 176.117 0.064 0.000 1.148 1376 I CA -1.583 59.768 61.300 0.085 0.000 1.386 1376 I CB -0.293 37.800 38.000 0.155 0.000 1.406 1376 I HN 0.435 nan 8.210 nan 0.000 0.540 1377 P HA 0.246 nan 4.420 nan 0.000 0.276 1377 P C 0.422 177.736 177.300 0.025 0.000 1.244 1377 P CA -0.496 62.618 63.100 0.024 0.000 0.801 1377 P CB 0.699 32.405 31.700 0.009 0.000 1.006 1378 R N 0.499 121.015 120.500 0.027 0.000 2.112 1378 R HA -0.173 4.170 4.340 0.006 0.000 0.242 1378 R C 2.433 178.744 176.300 0.018 0.000 1.137 1378 R CA 2.087 58.200 56.100 0.021 0.000 0.944 1378 R CB -2.070 28.243 30.300 0.022 0.000 0.857 1378 R HN 0.415 nan 8.270 nan 0.000 0.435 1379 S N 0.322 116.035 115.700 0.023 0.000 2.441 1379 S HA -0.181 4.292 4.470 0.006 0.000 0.249 1379 S C 1.114 175.749 174.600 0.057 0.000 1.097 1379 S CA 2.007 60.227 58.200 0.035 0.000 1.080 1379 S CB -0.185 63.033 63.200 0.029 0.000 0.914 1379 S HN 0.436 nan 8.310 nan 0.000 0.464 1380 L N -2.122 119.119 121.223 0.030 0.000 3.267 1380 L HA 0.710 5.054 4.340 0.006 0.000 0.289 1380 L C 0.580 177.494 176.870 0.073 0.000 1.260 1380 L CA 0.094 54.971 54.840 0.063 0.000 1.034 1380 L CB 0.366 42.275 42.059 -0.249 0.000 1.413 1380 L HN 0.036 nan 8.230 nan 0.000 0.594 1381 A N -0.615 122.215 122.820 0.018 0.000 2.840 1381 A HA 0.502 4.825 4.320 0.006 0.000 0.269 1381 A C 1.298 178.832 177.584 -0.084 0.000 1.439 1381 A CA 0.230 52.252 52.037 -0.025 0.000 1.083 1381 A CB -0.566 18.413 19.000 -0.035 0.000 1.019 1381 A HN 0.456 nan 8.150 nan 0.000 0.607 1382 S N -0.613 114.991 115.700 -0.161 0.000 2.320 1382 S HA 0.123 4.596 4.470 0.006 0.000 0.180 1382 S C 1.219 175.635 174.600 -0.306 0.000 1.145 1382 S CA 0.690 58.695 58.200 -0.325 0.000 1.444 1382 S CB -0.225 62.593 63.200 -0.636 0.000 0.843 1382 S HN 0.585 nan 8.310 nan 0.000 0.406 1383 S N 0.722 116.154 115.700 -0.446 0.000 2.786 1383 S HA 0.351 4.825 4.470 0.006 0.000 0.307 1383 S C -1.050 173.485 174.600 -0.109 0.000 1.121 1383 S CA -0.863 57.200 58.200 -0.227 0.000 0.975 1383 S CB 0.431 63.508 63.200 -0.205 0.000 1.220 1383 S HN 0.418 nan 8.310 nan 0.000 0.550 1384 K N 2.147 122.509 120.400 -0.064 0.000 2.430 1384 K HA 0.048 4.372 4.320 0.006 0.000 0.280 1384 K C -0.841 175.748 176.600 -0.019 0.000 1.063 1384 K CA 0.397 56.667 56.287 -0.029 0.000 1.071 1384 K CB -0.954 31.532 32.500 -0.023 0.000 0.899 1384 K HN 0.408 nan 8.250 nan 0.000 0.473 1385 T N 4.725 119.250 114.554 -0.049 0.000 2.845 1385 T HA 0.285 4.638 4.350 0.006 0.000 0.288 1385 T C 0.072 174.571 174.700 -0.335 0.000 0.980 1385 T CA -0.644 61.332 62.100 -0.208 0.000 1.071 1385 T CB 0.965 69.585 68.868 -0.413 0.000 0.941 1385 T HN 0.445 nan 8.240 nan 0.000 0.487 1386 R N 1.503 121.799 120.500 -0.341 0.000 2.474 1386 R HA 0.576 4.919 4.340 0.006 0.000 0.295 1386 R C -1.004 175.138 176.300 -0.264 0.000 0.980 1386 R CA -0.514 55.468 56.100 -0.196 0.000 0.934 1386 R CB 1.066 31.337 30.300 -0.048 0.000 1.101 1386 R HN 0.516 nan 8.270 nan 0.000 0.469 1387 F N 1.034 121.118 119.950 0.222 0.000 2.508 1387 F HA 0.506 5.037 4.527 0.007 0.000 0.325 1387 F C 0.501 176.325 175.800 0.041 0.000 1.090 1387 F CA -0.813 57.227 58.000 0.067 0.000 0.945 1387 F CB 1.811 40.726 39.000 -0.142 0.000 1.156 1387 F HN 0.153 nan 8.300 nan 0.000 0.463 1388 R N 2.679 123.145 120.500 -0.055 0.000 2.599 1388 R HA 0.359 4.702 4.340 0.006 0.000 0.295 1388 R C -1.815 174.219 176.300 -0.442 0.000 0.963 1388 R CA -0.621 55.343 56.100 -0.227 0.000 0.883 1388 R CB 1.411 31.235 30.300 -0.794 0.000 1.171 1388 R HN 0.739 nan 8.270 nan 0.000 0.450 1389 W N 6.711 127.908 121.300 -0.170 0.000 2.338 1389 W HA 0.364 5.025 4.660 0.002 0.000 0.315 1389 W C -0.634 175.711 176.519 -0.290 0.000 1.005 1389 W CA -0.669 56.504 57.345 -0.287 0.000 1.380 1389 W CB 1.111 30.408 29.460 -0.272 0.000 1.235 1389 W HN 0.376 nan 8.180 nan 0.000 0.409 1390 I N 2.723 123.151 120.570 -0.235 0.000 2.474 1390 I HA 0.159 4.332 4.170 0.006 0.000 0.294 1390 I C 0.847 176.841 176.117 -0.206 0.000 1.005 1390 I CA -0.041 61.152 61.300 -0.177 0.000 1.113 1390 I CB 2.173 40.019 38.000 -0.256 0.000 1.289 1390 I HN 0.400 nan 8.210 nan 0.000 0.436 1391 Q N 4.017 123.792 119.800 -0.041 0.000 2.394 1391 Q HA 0.182 4.525 4.340 0.006 0.000 0.218 1391 Q C -0.371 175.620 176.000 -0.015 0.000 0.907 1391 Q CA 0.174 55.966 55.803 -0.018 0.000 0.919 1391 Q CB 0.479 29.342 28.738 0.208 0.000 1.051 1391 Q HN 0.714 nan 8.270 nan 0.000 0.538 1400 P HA 0.414 nan 4.420 nan 0.000 0.271 1400 P C -2.664 174.650 177.300 0.022 0.000 1.218 1400 P CA -1.108 61.996 63.100 0.006 0.000 0.780 1400 P CB 0.263 31.965 31.700 0.003 0.000 0.901 1401 P HA 0.142 nan 4.420 nan 0.000 0.286 1401 P C -0.668 176.585 177.300 -0.079 0.000 1.269 1401 P CA -0.476 62.580 63.100 -0.074 0.000 0.787 1401 P CB 0.245 31.859 31.700 -0.144 0.000 0.920 1402 F N 0.645 120.556 119.950 -0.065 0.000 2.443 1402 F HA 0.591 5.120 4.527 0.004 0.000 0.353 1402 F C 0.655 176.399 175.800 -0.093 0.000 1.101 1402 F CA -0.945 56.998 58.000 -0.095 0.000 1.226 1402 F CB -0.009 38.939 39.000 -0.087 0.000 1.140 1402 F HN 0.326 nan 8.300 nan 0.000 0.557 1403 G N 5.564 114.346 108.800 -0.031 0.000 2.329 1403 G HA2 0.509 4.473 3.960 0.006 0.000 0.309 1403 G HA3 0.509 4.473 3.960 0.006 0.000 0.309 1403 G C -0.555 174.456 174.900 0.185 0.000 1.110 1403 G CA -0.763 44.340 45.100 0.006 0.000 0.923 1403 G HN 0.780 nan 8.290 nan 0.000 0.430 1404 L N 1.542 122.861 121.223 0.160 0.000 2.569 1404 L HA 0.721 5.064 4.340 0.006 0.000 0.247 1404 L C 0.028 176.995 176.870 0.161 0.000 1.135 1404 L CA -0.713 54.199 54.840 0.121 0.000 0.812 1404 L CB 1.471 43.419 42.059 -0.185 0.000 1.431 1404 L HN 0.423 nan 8.230 nan 0.000 0.499 1405 D N -1.793 118.596 120.400 -0.018 0.000 3.020 1405 D HA 0.225 4.869 4.640 0.006 0.000 0.268 1405 D C -0.307 175.848 176.300 -0.241 0.000 1.078 1405 D CA 0.442 54.347 54.000 -0.158 0.000 0.725 1405 D CB 0.780 41.392 40.800 -0.314 0.000 1.639 1405 D HN 0.759 nan 8.370 nan 0.000 0.455 1406 G N 1.014 109.592 108.800 -0.369 0.000 2.371 1406 G HA2 -0.173 3.790 3.960 0.006 0.000 0.299 1406 G HA3 -0.173 3.790 3.960 0.006 0.000 0.299 1406 G C 0.285 174.557 174.900 -1.048 0.000 1.014 1406 G CA 0.450 45.081 45.100 -0.781 0.000 1.097 1406 G HN 0.679 nan 8.290 nan 0.000 0.512 1407 V N 1.285 120.789 119.914 -0.682 0.000 2.381 1407 V HA 0.310 4.433 4.120 0.006 0.000 0.257 1407 V C 0.230 176.121 176.094 -0.338 0.000 1.057 1407 V CA 0.081 62.147 62.300 -0.391 0.000 1.013 1407 V CB -0.511 31.146 31.823 -0.276 0.000 1.069 1407 V HN 0.377 nan 8.190 nan 0.000 0.484 1408 Y N 5.005 125.368 120.300 0.106 0.000 2.328 1408 Y HA 0.673 5.225 4.550 0.004 0.000 0.336 1408 Y C -0.145 175.830 175.900 0.126 0.000 0.960 1408 Y CA -1.059 57.102 58.100 0.101 0.000 1.134 1408 Y CB 1.568 40.076 38.460 0.080 0.000 1.166 1408 Y HN 0.406 nan 8.280 nan 0.000 0.464 1409 I N 2.875 123.619 120.570 0.289 0.000 2.378 1409 I HA 0.524 4.697 4.170 0.006 0.000 0.291 1409 I C -0.148 176.088 176.117 0.199 0.000 0.992 1409 I CA -0.010 61.444 61.300 0.256 0.000 1.154 1409 I CB 1.850 40.034 38.000 0.306 0.000 1.315 1409 I HN 0.553 nan 8.210 nan 0.000 0.448 1410 S N 4.036 119.796 115.700 0.101 0.000 2.607 1410 S HA 0.663 5.136 4.470 0.006 0.000 0.273 1410 S C -1.190 173.070 174.600 -0.567 0.000 1.148 1410 S CA -0.835 57.294 58.200 -0.118 0.000 0.833 1410 S CB 1.070 64.237 63.200 -0.055 0.000 1.130 1410 S HN 0.494 nan 8.310 nan 0.000 0.470 1411 E N 2.610 122.290 120.200 -0.868 0.000 2.390 1411 E HA 0.328 4.682 4.350 0.006 0.000 0.261 1411 E C -2.456 173.887 176.600 -0.428 0.000 1.076 1411 E CA -1.703 54.054 56.400 -1.072 0.000 0.905 1411 E CB -0.207 29.120 29.700 -0.621 0.000 0.984 1411 E HN 0.376 nan 8.360 nan 0.000 0.427 1412 P HA -0.130 nan 4.420 nan 0.000 0.258 1412 P C -0.347 176.768 177.300 -0.308 0.000 1.172 1412 P CA 0.078 63.006 63.100 -0.287 0.000 0.762 1412 P CB 0.216 31.735 31.700 -0.302 0.000 0.764 1413 c N 6.400 124.818 118.600 -0.303 0.000 2.580 1413 c HA 0.242 4.816 4.570 0.006 0.000 0.371 1413 c C -1.767 172.151 174.090 -0.286 0.000 1.308 1413 c CA -1.109 55.078 56.329 -0.236 0.000 2.428 1413 c CB -0.394 42.027 42.510 -0.148 0.000 2.529 1413 c HN 0.506 nan 8.230 nan 0.000 0.657 1414 P HA 0.053 nan 4.420 nan 0.000 0.262 1414 P C 0.271 177.474 177.300 -0.162 0.000 1.199 1414 P CA 1.216 64.212 63.100 -0.172 0.000 0.763 1414 P CB 0.413 32.039 31.700 -0.123 0.000 0.790 1415 S N 3.340 118.932 115.700 -0.179 0.000 3.473 1415 S HA -0.280 4.193 4.470 0.006 0.000 0.339 1415 S C 0.416 175.005 174.600 -0.018 0.000 1.148 1415 S CA 0.947 59.087 58.200 -0.100 0.000 0.969 1415 S CB -2.357 60.817 63.200 -0.044 0.000 0.936 1415 S HN 0.541 nan 8.310 nan 0.000 0.530 1416 Y N -2.914 117.342 120.300 -0.074 0.000 3.721 1416 Y HA -0.386 4.167 4.550 0.004 0.000 0.218 1416 Y C 1.455 177.296 175.900 -0.099 0.000 1.188 1416 Y CA 0.518 58.567 58.100 -0.086 0.000 1.607 1416 Y CB -2.419 35.985 38.460 -0.094 0.000 1.496 1416 Y HN 0.726 nan 8.280 nan 0.000 0.626 1417 c N -1.812 116.789 118.600 0.003 0.000 4.265 1417 c HA -0.338 4.235 4.570 0.006 0.000 0.287 1417 c C 1.476 175.548 174.090 -0.031 0.000 1.451 1417 c CA 0.724 57.039 56.329 -0.024 0.000 1.966 1417 c CB -2.311 40.184 42.510 -0.026 0.000 1.302 1417 c HN 1.073 nan 8.230 nan 0.000 0.794 1418 S N -2.514 113.171 115.700 -0.025 0.000 3.270 1418 S HA -0.176 4.298 4.470 0.006 0.000 0.293 1418 S C 1.525 175.981 174.600 -0.240 0.000 1.278 1418 S CA 1.786 59.951 58.200 -0.058 0.000 1.038 1418 S CB -1.514 61.705 63.200 0.031 0.000 1.218 1418 S HN 2.627 nan 8.310 nan 0.000 0.659 1419 G N 0.234 108.876 108.800 -0.263 0.000 2.148 1419 G HA2 -0.299 3.665 3.960 0.006 0.000 0.254 1419 G HA3 -0.299 3.665 3.960 0.006 0.000 0.254 1419 G C -0.121 174.405 174.900 -0.622 0.000 0.981 1419 G CA 0.515 45.354 45.100 -0.434 0.000 0.670 1419 G HN 0.742 nan 8.290 nan 0.000 0.528 1420 H N -0.196 118.715 119.070 -0.265 0.000 2.562 1420 H HA 0.527 5.086 4.556 0.006 0.000 0.249 1420 H C 0.918 176.085 175.328 -0.269 0.000 1.195 1420 H CA 0.606 56.385 56.048 -0.449 0.000 0.938 1420 H CB 0.630 29.878 29.762 -0.857 0.000 1.891 1420 H HN 0.955 nan 8.280 nan 0.000 0.595 1421 G N -0.317 108.451 108.800 -0.054 0.000 2.466 1421 G HA2 0.097 4.060 3.960 0.006 0.000 0.291 1421 G HA3 0.097 4.060 3.960 0.006 0.000 0.291 1421 G C -1.647 173.274 174.900 0.035 0.000 1.460 1421 G CA -0.770 44.338 45.100 0.013 0.000 0.791 1421 G HN -0.007 nan 8.290 nan 0.000 0.505 1422 D N -0.265 120.184 120.400 0.082 0.000 2.225 1422 D HA 0.345 4.988 4.640 0.006 0.000 0.248 1422 D C -0.329 175.997 176.300 0.044 0.000 1.096 1422 D CA 0.079 54.132 54.000 0.089 0.000 0.863 1422 D CB 1.966 42.818 40.800 0.086 0.000 1.156 1422 D HN 0.400 nan 8.370 nan 0.000 0.450 1423 c N 6.093 124.716 118.600 0.039 0.000 2.227 1423 c HA 0.374 4.947 4.570 0.006 0.000 0.333 1423 c C -0.145 173.933 174.090 -0.020 0.000 1.145 1423 c CA -0.672 55.657 56.329 -0.000 0.000 1.643 1423 c CB -1.692 40.839 42.510 0.035 0.000 2.185 1423 c HN 0.358 nan 8.230 nan 0.000 0.497 1424 I N 6.331 126.881 120.570 -0.033 0.000 2.354 1424 I HA 0.219 4.392 4.170 0.006 0.000 0.286 1424 I C 1.131 177.247 176.117 -0.001 0.000 1.007 1424 I CA 0.116 61.399 61.300 -0.028 0.000 1.167 1424 I CB 1.020 39.044 38.000 0.040 0.000 1.320 1424 I HN 0.818 nan 8.210 nan 0.000 0.458 1425 S N 4.769 120.464 115.700 -0.009 0.000 3.533 1425 S HA -0.225 4.249 4.470 0.006 0.000 0.347 1425 S C 1.157 175.712 174.600 -0.074 0.000 1.101 1425 S CA 1.363 59.547 58.200 -0.026 0.000 1.009 1425 S CB -0.958 62.250 63.200 0.013 0.000 0.916 1425 S HN 1.436 nan 8.310 nan 0.000 0.496 1426 G N -2.493 106.240 108.800 -0.111 0.000 2.184 1426 G HA2 -0.119 3.844 3.960 0.006 0.000 0.206 1426 G HA3 -0.119 3.844 3.960 0.006 0.000 0.206 1426 G C 0.089 174.897 174.900 -0.153 0.000 0.995 1426 G CA 0.046 45.060 45.100 -0.143 0.000 0.651 1426 G HN 1.844 nan 8.290 nan 0.000 0.511 1427 V N -2.443 117.366 119.914 -0.175 0.000 3.159 1427 V HA 0.760 4.883 4.120 0.006 0.000 0.308 1427 V C 0.438 176.323 176.094 -0.348 0.000 1.190 1427 V CA -1.181 60.974 62.300 -0.241 0.000 1.037 1427 V CB 1.463 33.138 31.823 -0.246 0.000 1.060 1427 V HN 0.508 nan 8.190 nan 0.000 0.437 1428 c N 1.706 120.089 118.600 -0.362 0.000 2.388 1428 c HA 0.666 5.239 4.570 0.006 0.000 0.362 1428 c C -0.128 173.656 174.090 -0.510 0.000 1.266 1428 c CA -0.085 56.055 56.329 -0.315 0.000 2.028 1428 c CB -0.520 41.889 42.510 -0.168 0.000 2.440 1428 c HN 0.727 nan 8.230 nan 0.000 0.547 1429 F N 1.950 121.856 119.950 -0.072 0.000 2.307 1429 F HA 0.265 4.795 4.527 0.004 0.000 0.369 1429 F C 0.702 176.485 175.800 -0.028 0.000 1.076 1429 F CA -0.530 57.434 58.000 -0.061 0.000 1.149 1429 F CB 0.402 39.340 39.000 -0.103 0.000 1.410 1429 F HN 0.574 nan 8.300 nan 0.000 0.481 1430 c N 2.247 120.926 118.600 0.131 0.000 2.657 1430 c HA 0.125 4.698 4.570 0.006 0.000 0.420 1430 c C 0.606 174.783 174.090 0.144 0.000 1.323 1430 c CA -0.841 55.557 56.329 0.114 0.000 1.894 1430 c CB -0.785 41.795 42.510 0.117 0.000 2.681 1430 c HN 0.735 nan 8.230 nan 0.000 0.613 1431 D N 1.701 122.183 120.400 0.137 0.000 2.398 1431 D HA 0.406 5.049 4.640 0.006 0.000 0.247 1431 D C -0.416 176.030 176.300 0.244 0.000 1.227 1431 D CA -0.742 53.356 54.000 0.163 0.000 0.980 1431 D CB 0.235 41.118 40.800 0.138 0.000 1.106 1431 D HN 0.244 nan 8.370 nan 0.000 0.493 1432 L N 0.108 121.449 121.223 0.197 0.000 2.540 1432 L HA 0.314 4.657 4.340 0.006 0.000 0.276 1432 L C 1.809 178.781 176.870 0.170 0.000 1.212 1432 L CA 1.516 56.448 54.840 0.153 0.000 0.893 1432 L CB -0.091 42.030 42.059 0.104 0.000 1.138 1432 L HN 0.863 nan 8.230 nan 0.000 0.491 1433 G N 1.466 110.272 108.800 0.010 0.000 2.176 1433 G HA2 -0.262 3.701 3.960 0.006 0.000 0.232 1433 G HA3 -0.262 3.701 3.960 0.006 0.000 0.232 1433 G C -0.245 174.302 174.900 -0.587 0.000 0.986 1433 G CA -0.343 44.595 45.100 -0.270 0.000 0.643 1433 G HN 0.460 nan 8.290 nan 0.000 0.522 1434 Y N 0.641 120.918 120.300 -0.039 0.000 2.512 1434 Y HA 0.673 5.227 4.550 0.006 0.000 0.348 1434 Y C 0.528 176.414 175.900 -0.023 0.000 0.990 1434 Y CA -0.213 57.854 58.100 -0.055 0.000 1.033 1434 Y CB 2.300 40.721 38.460 -0.064 0.000 1.259 1434 Y HN 0.344 nan 8.280 nan 0.000 0.461 1435 T N -1.116 113.502 114.554 0.107 0.000 2.907 1435 T HA 0.830 5.183 4.350 0.006 0.000 0.292 1435 T C -0.344 174.385 174.700 0.048 0.000 1.043 1435 T CA -1.121 61.016 62.100 0.061 0.000 1.003 1435 T CB 1.626 70.505 68.868 0.018 0.000 1.084 1435 T HN 0.879 nan 8.240 nan 0.000 0.483 1436 A N 1.200 124.032 122.820 0.020 0.000 2.520 1436 A HA 0.613 4.937 4.320 0.006 0.000 0.245 1436 A C 0.539 178.115 177.584 -0.013 0.000 1.072 1436 A CA -0.103 51.927 52.037 -0.012 0.000 0.761 1436 A CB -0.936 18.037 19.000 -0.046 0.000 1.004 1436 A HN 1.815 nan 8.150 nan 0.000 0.499 1437 A N 2.651 125.461 122.820 -0.017 0.000 2.480 1437 A HA 0.588 4.911 4.320 0.006 0.000 0.289 1437 A C 0.012 177.581 177.584 -0.024 0.000 1.044 1437 A CA -0.188 51.839 52.037 -0.017 0.000 0.761 1437 A CB 0.410 19.407 19.000 -0.006 0.000 1.289 1437 A HN 1.226 nan 8.150 nan 0.000 0.401 1438 Q N 1.025 120.806 119.800 -0.030 0.000 2.475 1438 Q HA -0.273 4.070 4.340 0.006 0.000 0.280 1438 Q C 1.204 177.176 176.000 -0.047 0.000 1.234 1438 Q CA 1.780 57.562 55.803 -0.035 0.000 0.873 1438 Q CB -1.598 27.124 28.738 -0.027 0.000 1.256 1438 Q HN 2.645 nan 8.270 nan 0.000 0.475 1439 G N -1.829 106.935 108.800 -0.060 0.000 2.268 1439 G HA2 -0.351 3.612 3.960 0.006 0.000 0.240 1439 G HA3 -0.351 3.612 3.960 0.006 0.000 0.240 1439 G C 0.237 175.086 174.900 -0.087 0.000 1.010 1439 G CA 0.713 45.764 45.100 -0.081 0.000 0.618 1439 G HN 0.520 nan 8.290 nan 0.000 0.516 1440 T N -0.904 113.614 114.554 -0.060 0.000 2.864 1440 T HA 0.569 4.922 4.350 0.006 0.000 0.276 1440 T C -0.191 174.497 174.700 -0.020 0.000 1.006 1440 T CA 0.321 62.394 62.100 -0.046 0.000 0.970 1440 T CB 1.179 70.028 68.868 -0.030 0.000 1.420 1440 T HN 0.645 nan 8.240 nan 0.000 0.601 1441 c N 2.308 120.914 118.600 0.011 0.000 2.319 1441 c HA 0.793 5.367 4.570 0.006 0.000 0.323 1441 c C -0.299 173.858 174.090 0.111 0.000 1.277 1441 c CA -0.861 55.502 56.329 0.057 0.000 1.517 1441 c CB -0.039 42.500 42.510 0.049 0.000 2.206 1441 c HN 0.613 nan 8.230 nan 0.000 0.486 1442 V N 2.734 122.723 119.914 0.126 0.000 2.667 1442 V HA 0.494 4.617 4.120 0.006 0.000 0.308 1442 V C 0.425 176.612 176.094 0.155 0.000 1.048 1442 V CA -0.331 62.044 62.300 0.125 0.000 0.928 1442 V CB 2.114 33.966 31.823 0.048 0.000 1.004 1442 V HN 0.882 nan 8.190 nan 0.000 0.444 1443 S N 2.231 117.984 115.700 0.088 0.000 2.549 1443 S HA 0.075 4.548 4.470 0.006 0.000 0.283 1443 S C 1.282 175.751 174.600 -0.217 0.000 1.320 1443 S CA -0.022 58.047 58.200 -0.219 0.000 1.058 1443 S CB -0.161 62.908 63.200 -0.219 0.000 0.882 1443 S HN 0.801 nan 8.310 nan 0.000 0.498 1444 N N 1.416 119.925 118.700 -0.320 0.000 2.272 1444 N HA -0.085 4.658 4.740 0.006 0.000 0.185 1444 N C 0.464 175.879 175.510 -0.158 0.000 1.014 1444 N CA 1.217 54.148 53.050 -0.197 0.000 0.870 1444 N CB 0.071 38.437 38.487 -0.201 0.000 0.975 1444 N HN 0.748 nan 8.380 nan 0.000 0.433 1445 T N -1.520 112.918 114.554 -0.192 0.000 2.916 1445 T HA 0.419 4.772 4.350 0.006 0.000 0.292 1445 T C -2.813 171.804 174.700 -0.139 0.000 1.055 1445 T CA -1.963 60.049 62.100 -0.147 0.000 1.009 1445 T CB 2.268 71.044 68.868 -0.153 0.000 1.118 1445 T HN -0.192 nan 8.240 nan 0.000 0.497 1446 P HA 0.242 nan 4.420 nan 0.000 0.271 1446 P C -0.673 176.548 177.300 -0.132 0.000 1.244 1446 P CA -0.505 62.539 63.100 -0.093 0.000 0.793 1446 P CB 0.486 32.145 31.700 -0.070 0.000 0.984 1447 N N 0.104 118.751 118.700 -0.088 0.000 2.495 1447 N HA 0.144 4.888 4.740 0.006 0.000 0.280 1447 N C 0.522 175.977 175.510 -0.091 0.000 1.168 1447 N CA -0.338 52.657 53.050 -0.092 0.000 0.978 1447 N CB 0.155 38.650 38.487 0.013 0.000 1.191 1447 N HN 0.444 nan 8.380 nan 0.000 0.497 1448 H N -0.111 118.984 119.070 0.042 0.000 2.913 1448 H HA -0.049 4.510 4.556 0.005 0.000 0.365 1448 H C 1.071 176.433 175.328 0.057 0.000 1.155 1448 H CA 0.479 56.555 56.048 0.045 0.000 1.417 1448 H CB 0.911 30.703 29.762 0.050 0.000 1.386 1448 H HN 0.568 nan 8.280 nan 0.000 0.614 1449 S N 1.283 117.096 115.700 0.187 0.000 2.783 1449 S HA 0.031 4.504 4.470 0.006 0.000 0.205 1449 S C 0.360 175.039 174.600 0.131 0.000 0.910 1449 S CA -0.204 58.078 58.200 0.137 0.000 0.861 1449 S CB 0.291 63.547 63.200 0.093 0.000 0.830 1449 S HN 0.670 nan 8.310 nan 0.000 0.630 1450 E N 0.802 121.062 120.200 0.100 0.000 2.318 1450 E HA 0.474 4.827 4.350 0.006 0.000 0.265 1450 E C -0.622 176.012 176.600 0.057 0.000 1.069 1450 E CA -0.214 56.229 56.400 0.072 0.000 0.893 1450 E CB 1.230 30.959 29.700 0.048 0.000 1.076 1450 E HN 0.487 nan 8.360 nan 0.000 0.414 1451 M N 2.483 122.117 119.600 0.056 0.000 2.465 1451 M HA 0.456 4.939 4.480 0.006 0.000 0.284 1451 M C -2.218 174.166 176.300 0.141 0.000 1.212 1451 M CA -0.670 54.648 55.300 0.029 0.000 0.910 1451 M CB 1.687 34.259 32.600 -0.046 0.000 1.725 1451 M HN 0.543 nan 8.290 nan 0.000 0.477 1452 F N 3.284 123.174 119.950 -0.099 0.000 2.623 1452 F HA 0.556 5.087 4.527 0.005 0.000 0.323 1452 F C -2.045 173.668 175.800 -0.146 0.000 1.158 1452 F CA -0.688 57.259 58.000 -0.088 0.000 1.030 1452 F CB 1.378 40.346 39.000 -0.053 0.000 1.280 1452 F HN 0.588 nan 8.300 nan 0.000 0.474 1453 D N 4.716 124.723 120.400 -0.656 0.000 2.788 1453 D HA 0.391 5.034 4.640 0.006 0.000 0.247 1453 D C 0.245 175.762 176.300 -1.304 0.000 1.236 1453 D CA -0.321 53.163 54.000 -0.860 0.000 0.898 1453 D CB 1.838 42.282 40.800 -0.594 0.000 1.401 1453 D HN 0.752 nan 8.370 nan 0.000 0.549 1454 R N 2.408 122.281 120.500 -1.046 0.000 2.300 1454 R HA 0.200 4.544 4.340 0.006 0.000 0.199 1454 R C 0.207 176.285 176.300 -0.370 0.000 0.920 1454 R CA -0.130 55.553 56.100 -0.694 0.000 1.046 1454 R CB 0.145 30.171 30.300 -0.457 0.000 0.984 1454 R HN 0.498 nan 8.270 nan 0.000 0.493 1455 F N 0.563 120.437 119.950 -0.127 0.000 3.071 1455 F HA -0.234 4.297 4.527 0.005 0.000 0.295 1455 F C 0.758 176.500 175.800 -0.096 0.000 0.919 1455 F CA 0.015 57.956 58.000 -0.100 0.000 1.050 1455 F CB -1.069 37.865 39.000 -0.109 0.000 1.040 1455 F HN 0.086 nan 8.300 nan 0.000 0.692 1456 E N -0.261 119.946 120.200 0.010 0.000 2.452 1456 E HA 0.311 4.664 4.350 0.006 0.000 0.197 1456 E C 1.649 178.245 176.600 -0.006 0.000 1.022 1456 E CA 1.034 57.429 56.400 -0.008 0.000 0.890 1456 E CB 0.548 30.226 29.700 -0.037 0.000 0.918 1456 E HN 0.660 nan 8.360 nan 0.000 0.496 1457 G N 0.432 109.234 108.800 0.004 0.000 3.331 1457 G HA2 0.089 4.053 3.960 0.006 0.000 0.153 1457 G HA3 0.089 4.053 3.960 0.006 0.000 0.153 1457 G C -0.827 174.082 174.900 0.015 0.000 1.216 1457 G CA -0.660 44.440 45.100 0.001 0.000 1.426 1457 G HN -0.012 nan 8.290 nan 0.000 0.705 1458 K N 1.136 121.546 120.400 0.016 0.000 2.368 1458 K HA 0.452 4.775 4.320 0.006 0.000 0.282 1458 K C 0.154 176.794 176.600 0.066 0.000 1.035 1458 K CA -0.241 56.065 56.287 0.032 0.000 0.973 1458 K CB 0.327 32.843 32.500 0.027 0.000 0.957 1458 K HN 0.241 nan 8.250 nan 0.000 0.474 1459 L N 2.905 124.189 121.223 0.102 0.000 2.485 1459 L HA -0.020 4.324 4.340 0.006 0.000 0.275 1459 L C 0.764 177.780 176.870 0.243 0.000 1.207 1459 L CA 0.080 55.048 54.840 0.214 0.000 0.855 1459 L CB 0.882 43.056 42.059 0.192 0.000 1.114 1459 L HN 0.695 nan 8.230 nan 0.000 0.485 1460 S N 3.182 119.076 115.700 0.324 0.000 2.573 1460 S HA 0.030 4.504 4.470 0.006 0.000 0.297 1460 S C -1.456 173.256 174.600 0.188 0.000 1.280 1460 S CA -0.967 57.327 58.200 0.157 0.000 1.061 1460 S CB 0.595 63.775 63.200 -0.033 0.000 0.812 1460 S HN 0.407 nan 8.310 nan 0.000 0.500 1461 P HA 0.025 nan 4.420 nan 0.000 0.230 1461 P C 0.771 178.122 177.300 0.086 0.000 1.158 1461 P CA 0.731 63.887 63.100 0.093 0.000 0.769 1461 P CB 0.031 31.757 31.700 0.044 0.000 0.807 1462 L N -3.332 117.874 121.223 -0.027 0.000 2.599 1462 L HA 0.041 4.384 4.340 0.006 0.000 0.230 1462 L C 0.482 177.340 176.870 -0.020 0.000 1.141 1462 L CA 0.030 54.836 54.840 -0.056 0.000 0.877 1462 L CB -0.584 41.360 42.059 -0.192 0.000 1.009 1462 L HN 0.018 nan 8.230 nan 0.000 0.447 1463 W N -0.935 120.485 121.300 0.200 0.000 2.356 1463 W HA 0.030 4.693 4.660 0.005 0.000 0.311 1463 W C 1.249 177.927 176.519 0.264 0.000 1.328 1463 W CA -0.603 56.889 57.345 0.245 0.000 1.251 1463 W CB 0.246 29.821 29.460 0.192 0.000 1.280 1463 W HN -0.069 nan 8.180 nan 0.000 0.524 1464 Y N 2.753 123.315 120.300 0.437 0.000 2.243 1464 Y HA 0.039 4.592 4.550 0.005 0.000 0.293 1464 Y C 0.613 176.681 175.900 0.280 0.000 1.124 1464 Y CA 1.257 59.548 58.100 0.319 0.000 1.159 1464 Y CB 0.222 38.861 38.460 0.298 0.000 1.008 1464 Y HN 0.314 nan 8.280 nan 0.000 0.527 1465 K N 0.388 120.925 120.400 0.228 0.000 2.570 1465 K HA 0.332 4.656 4.320 0.006 0.000 0.256 1465 K C -2.233 174.456 176.600 0.148 0.000 0.939 1465 K CA -0.579 55.736 56.287 0.048 0.000 0.833 1465 K CB 0.973 33.435 32.500 -0.064 0.000 1.318 1465 K HN -0.107 nan 8.250 nan 0.000 0.433 1466 I N 3.583 124.177 120.570 0.039 0.000 2.362 1466 I HA 0.293 4.466 4.170 0.006 0.000 0.289 1466 I C -0.309 175.804 176.117 -0.007 0.000 0.994 1466 I CA -0.465 60.832 61.300 -0.006 0.000 1.158 1466 I CB 1.333 39.209 38.000 -0.207 0.000 1.315 1466 I HN 0.579 nan 8.210 nan 0.000 0.451 1467 T N 3.763 118.371 114.554 0.089 0.000 2.797 1467 T HA 0.534 4.887 4.350 0.006 0.000 0.279 1467 T C 0.823 175.589 174.700 0.109 0.000 0.991 1467 T CA -0.147 61.985 62.100 0.053 0.000 0.979 1467 T CB 1.635 70.537 68.868 0.056 0.000 0.943 1467 T HN 0.977 nan 8.240 nan 0.000 0.444 1468 G N 2.038 110.830 108.800 -0.012 0.000 2.160 1468 G HA2 0.055 4.019 3.960 0.006 0.000 0.251 1468 G HA3 0.055 4.019 3.960 0.006 0.000 0.251 1468 G C 0.291 175.051 174.900 -0.234 0.000 1.008 1468 G CA -0.006 45.056 45.100 -0.064 0.000 0.724 1468 G HN 1.206 nan 8.290 nan 0.000 0.514 1469 G N -1.382 107.119 108.800 -0.500 0.000 2.660 1469 G HA2 0.908 4.871 3.960 0.006 0.000 0.290 1469 G HA3 0.908 4.871 3.960 0.006 0.000 0.290 1469 G C -0.965 173.437 174.900 -0.829 0.000 1.432 1469 G CA 0.508 44.912 45.100 -1.160 0.000 0.807 1469 G HN 1.305 nan 8.290 nan 0.000 0.485 1470 Q N -0.774 118.540 119.800 -0.810 0.000 2.702 1470 Q HA 0.390 4.733 4.340 0.006 0.000 0.289 1470 Q C -1.208 174.525 176.000 -0.444 0.000 0.923 1470 Q CA -0.794 54.707 55.803 -0.504 0.000 0.787 1470 Q CB 0.982 29.535 28.738 -0.307 0.000 1.476 1470 Q HN 0.721 nan 8.270 nan 0.000 0.402 1471 V N 0.902 120.633 119.914 -0.306 0.000 2.617 1471 V HA 0.545 4.669 4.120 0.006 0.000 0.304 1471 V C 0.842 176.836 176.094 -0.167 0.000 1.040 1471 V CA 1.605 63.774 62.300 -0.218 0.000 1.149 1471 V CB 0.090 31.853 31.823 -0.100 0.000 0.914 1471 V HN 0.954 nan 8.190 nan 0.000 0.487 1472 G N 3.288 111.994 108.800 -0.156 0.000 2.490 1472 G HA2 0.541 4.505 3.960 0.006 0.000 0.308 1472 G HA3 0.541 4.505 3.960 0.006 0.000 0.308 1472 G C -0.145 174.615 174.900 -0.234 0.000 1.286 1472 G CA 0.258 45.261 45.100 -0.163 0.000 0.825 1472 G HN 0.809 nan 8.290 nan 0.000 0.479 1473 T N -3.385 110.934 114.554 -0.390 0.000 3.328 1473 T HA 0.330 4.684 4.350 0.006 0.000 0.305 1473 T C 1.834 176.207 174.700 -0.545 0.000 0.939 1473 T CA 1.333 63.216 62.100 -0.363 0.000 0.950 1473 T CB 0.676 69.407 68.868 -0.229 0.000 1.182 1473 T HN 1.369 nan 8.240 nan 0.000 0.545 1474 G N 0.696 108.792 108.800 -1.173 0.000 2.462 1474 G HA2 -0.137 3.827 3.960 0.006 0.000 0.220 1474 G HA3 -0.137 3.827 3.960 0.006 0.000 0.220 1474 G C 1.249 175.830 174.900 -0.531 0.000 1.121 1474 G CA 1.057 45.425 45.100 -1.219 0.000 0.758 1474 G HN 0.628 nan 8.290 nan 0.000 0.559 1475 c N 0.305 118.699 118.600 -0.343 0.000 2.855 1475 c HA 0.599 5.172 4.570 0.006 0.000 0.279 1475 c C 1.637 175.692 174.090 -0.059 0.000 1.270 1475 c CA -0.097 56.201 56.329 -0.052 0.000 1.702 1475 c CB -1.384 41.192 42.510 0.111 0.000 1.949 1475 c HN 0.901 nan 8.230 nan 0.000 0.618 1476 G N 0.901 109.625 108.800 -0.126 0.000 2.568 1476 G HA2 -0.148 3.815 3.960 0.006 0.000 0.222 1476 G HA3 -0.148 3.815 3.960 0.006 0.000 0.222 1476 G C -0.359 174.500 174.900 -0.067 0.000 1.321 1476 G CA -0.291 44.758 45.100 -0.086 0.000 0.893 1476 G HN 0.206 nan 8.290 nan 0.000 0.569 1477 T N 1.222 115.750 114.554 -0.044 0.000 2.832 1477 T HA 0.488 4.842 4.350 0.006 0.000 0.296 1477 T C 1.301 175.993 174.700 -0.014 0.000 0.968 1477 T CA 0.211 62.288 62.100 -0.038 0.000 1.107 1477 T CB 1.403 70.247 68.868 -0.039 0.000 0.916 1477 T HN 0.558 nan 8.240 nan 0.000 0.517 1478 L N 3.049 124.260 121.223 -0.020 0.000 2.370 1478 L HA 0.295 4.638 4.340 0.006 0.000 0.191 1478 L C 2.244 179.032 176.870 -0.137 0.000 1.203 1478 L CA 1.001 55.843 54.840 0.004 0.000 0.825 1478 L CB -0.644 41.460 42.059 0.075 0.000 1.048 1478 L HN 0.512 nan 8.230 nan 0.000 0.487 1479 N N -1.211 117.280 118.700 -0.349 0.000 2.418 1479 N HA 0.007 4.751 4.740 0.006 0.000 0.199 1479 N C -0.897 174.472 175.510 -0.236 0.000 1.044 1479 N CA 1.085 53.804 53.050 -0.552 0.000 0.943 1479 N CB 0.336 38.185 38.487 -1.063 0.000 1.154 1479 N HN 0.470 nan 8.380 nan 0.000 0.467 1480 D N -2.474 117.824 120.400 -0.170 0.000 2.623 1480 D HA 0.518 5.161 4.640 0.006 0.000 0.241 1480 D C 0.525 176.788 176.300 -0.060 0.000 1.241 1480 D CA -0.242 53.704 54.000 -0.090 0.000 0.788 1480 D CB 1.091 41.851 40.800 -0.067 0.000 1.413 1480 D HN 0.396 nan 8.370 nan 0.000 0.429 1481 G N 0.477 109.249 108.800 -0.047 0.000 2.566 1481 G HA2 -0.253 3.711 3.960 0.006 0.000 0.280 1481 G HA3 -0.253 3.711 3.960 0.006 0.000 0.280 1481 G C -0.302 174.575 174.900 -0.039 0.000 1.225 1481 G CA 0.022 45.099 45.100 -0.039 0.000 0.966 1481 G HN 0.757 nan 8.290 nan 0.000 0.560 1482 R N 0.420 120.904 120.500 -0.027 0.000 2.583 1482 R HA 0.606 4.949 4.340 0.006 0.000 0.268 1482 R C 0.562 176.872 176.300 0.017 0.000 1.101 1482 R CA 0.282 56.364 56.100 -0.031 0.000 1.180 1482 R CB 1.199 31.478 30.300 -0.035 0.000 1.128 1482 R HN 0.999 nan 8.270 nan 0.000 0.568 1483 S N 0.043 115.723 115.700 -0.034 0.000 2.704 1483 S HA 0.395 4.868 4.470 0.006 0.000 0.296 1483 S C -0.941 173.458 174.600 -0.335 0.000 1.138 1483 S CA -1.003 57.162 58.200 -0.059 0.000 0.875 1483 S CB 1.204 64.372 63.200 -0.054 0.000 1.151 1483 S HN 0.331 nan 8.310 nan 0.000 0.500 1484 L N 2.727 123.437 121.223 -0.854 0.000 2.295 1484 L HA 0.480 4.823 4.340 0.006 0.000 0.288 1484 L C -1.174 175.277 176.870 -0.699 0.000 1.079 1484 L CA -0.288 53.912 54.840 -1.066 0.000 0.830 1484 L CB -0.365 40.643 42.059 -1.753 0.000 1.200 1484 L HN 0.749 nan 8.230 nan 0.000 0.438 1485 Y N 5.632 125.445 120.300 -0.811 0.000 2.335 1485 Y HA 0.560 5.113 4.550 0.006 0.000 0.338 1485 Y C -1.447 173.910 175.900 -0.904 0.000 0.977 1485 Y CA -1.278 56.442 58.100 -0.634 0.000 1.114 1485 Y CB 0.979 39.196 38.460 -0.406 0.000 1.182 1485 Y HN 0.463 nan 8.280 nan 0.000 0.463 1486 F N 6.006 125.176 119.950 -1.300 0.000 2.347 1486 F HA 0.311 4.841 4.527 0.005 0.000 0.366 1486 F C 0.553 175.642 175.800 -1.186 0.000 1.107 1486 F CA -0.486 56.736 58.000 -1.297 0.000 1.058 1486 F CB 1.004 38.946 39.000 -1.764 0.000 1.236 1486 F HN 0.693 nan 8.300 nan 0.000 0.456 1487 N N 0.608 118.793 118.700 -0.858 0.000 2.194 1487 N HA 0.198 4.942 4.740 0.006 0.000 0.231 1487 N C 0.653 175.932 175.510 -0.387 0.000 1.247 1487 N CA -0.465 52.237 53.050 -0.581 0.000 0.884 1487 N CB 0.627 38.799 38.487 -0.525 0.000 1.146 1487 N HN 0.626 nan 8.380 nan 0.000 0.516 1488 G N 0.709 109.301 108.800 -0.347 0.000 2.554 1488 G HA2 0.197 4.161 3.960 0.006 0.000 0.238 1488 G HA3 0.197 4.161 3.960 0.006 0.000 0.238 1488 G C 0.631 175.275 174.900 -0.427 0.000 1.259 1488 G CA -0.470 44.441 45.100 -0.315 0.000 0.843 1488 G HN 0.226 nan 8.290 nan 0.000 0.582 1489 L N 1.779 122.587 121.223 -0.693 0.000 2.567 1489 L HA 0.225 4.568 4.340 0.006 0.000 0.225 1489 L C 2.014 178.226 176.870 -1.098 0.000 1.119 1489 L CA 0.481 54.676 54.840 -1.074 0.000 0.871 1489 L CB -0.114 40.986 42.059 -1.599 0.000 1.036 1489 L HN 0.672 nan 8.230 nan 0.000 0.459 1490 G N -0.183 108.244 108.800 -0.622 0.000 3.374 1490 G HA2 0.114 4.078 3.960 0.006 0.000 0.200 1490 G HA3 0.114 4.078 3.960 0.006 0.000 0.200 1490 G C -0.314 174.626 174.900 0.067 0.000 1.801 1490 G CA -0.322 44.632 45.100 -0.245 0.000 0.842 1490 G HN -0.030 nan 8.290 nan 0.000 0.688 1491 K N 0.634 121.195 120.400 0.269 0.000 2.218 1491 K HA 0.430 4.753 4.320 0.006 0.000 0.276 1491 K C -0.514 176.212 176.600 0.211 0.000 1.022 1491 K CA -0.194 56.276 56.287 0.305 0.000 0.946 1491 K CB 0.603 33.318 32.500 0.359 0.000 1.000 1491 K HN 0.231 nan 8.250 nan 0.000 0.468 1492 R N 3.187 123.836 120.500 0.248 0.000 2.360 1492 R HA 0.228 4.571 4.340 0.006 0.000 0.318 1492 R C -1.125 175.331 176.300 0.259 0.000 0.950 1492 R CA -0.598 55.644 56.100 0.236 0.000 0.837 1492 R CB 1.590 32.032 30.300 0.235 0.000 1.165 1492 R HN 0.669 nan 8.270 nan 0.000 0.458 1493 E N 2.184 122.491 120.200 0.179 0.000 2.347 1493 E HA 0.465 4.818 4.350 0.006 0.000 0.285 1493 E C -1.860 174.858 176.600 0.198 0.000 0.925 1493 E CA -0.675 55.840 56.400 0.192 0.000 0.779 1493 E CB 1.979 31.797 29.700 0.195 0.000 1.233 1493 E HN 0.660 nan 8.360 nan 0.000 0.414 1494 A N 4.665 127.615 122.820 0.216 0.000 2.287 1494 A HA 0.650 4.973 4.320 0.006 0.000 0.317 1494 A C -0.654 177.281 177.584 0.585 0.000 1.220 1494 A CA -0.632 51.569 52.037 0.274 0.000 0.835 1494 A CB 0.890 19.895 19.000 0.008 0.000 1.180 1494 A HN 0.581 nan 8.150 nan 0.000 0.500 1495 R N 2.199 123.092 120.500 0.655 0.000 2.532 1495 R HA 0.528 4.871 4.340 0.006 0.000 0.297 1495 R C -0.169 176.640 176.300 0.848 0.000 0.984 1495 R CA -0.050 56.471 56.100 0.702 0.000 0.884 1495 R CB 1.449 32.058 30.300 0.515 0.000 1.182 1495 R HN 0.807 nan 8.270 nan 0.000 0.442 1496 T N 0.506 115.507 114.554 0.745 0.000 2.849 1496 T HA 0.311 4.664 4.350 0.006 0.000 0.284 1496 T C 0.905 175.863 174.700 0.431 0.000 1.004 1496 T CA -0.534 61.863 62.100 0.495 0.000 1.021 1496 T CB 1.109 70.187 68.868 0.350 0.000 1.013 1496 T HN 0.427 nan 8.240 nan 0.000 0.527 1497 V N -1.143 118.979 119.914 0.346 0.000 3.237 1497 V HA 0.402 4.525 4.120 0.006 0.000 0.305 1497 V C -2.606 173.594 176.094 0.175 0.000 1.096 1497 V CA -2.002 60.445 62.300 0.245 0.000 1.130 1497 V CB -0.860 31.131 31.823 0.279 0.000 1.048 1497 V HN 0.778 nan 8.190 nan 0.000 0.484 1498 P HA 0.390 nan 4.420 nan 0.000 0.271 1498 P C -0.685 176.690 177.300 0.125 0.000 1.220 1498 P CA 0.144 63.297 63.100 0.089 0.000 0.768 1498 P CB 0.379 32.146 31.700 0.111 0.000 0.848 1499 L N 2.234 123.527 121.223 0.117 0.000 2.322 1499 L HA 0.469 4.812 4.340 0.006 0.000 0.269 1499 L C 0.500 177.434 176.870 0.107 0.000 1.012 1499 L CA -0.868 54.065 54.840 0.155 0.000 0.815 1499 L CB 1.258 43.465 42.059 0.246 0.000 1.295 1499 L HN 0.223 nan 8.230 nan 0.000 0.438 1500 D N 0.388 120.849 120.400 0.102 0.000 2.393 1500 D HA 0.097 4.740 4.640 0.006 0.000 0.232 1500 D C 0.733 177.086 176.300 0.089 0.000 1.192 1500 D CA -0.216 53.827 54.000 0.071 0.000 0.882 1500 D CB 0.984 41.812 40.800 0.047 0.000 1.038 1500 D HN 0.601 nan 8.370 nan 0.000 0.499 1501 T N 0.630 115.236 114.554 0.087 0.000 3.105 1501 T HA 0.145 4.498 4.350 0.006 0.000 0.253 1501 T C 1.641 176.376 174.700 0.058 0.000 1.047 1501 T CA -0.269 61.896 62.100 0.108 0.000 0.944 1501 T CB 0.074 69.037 68.868 0.159 0.000 1.016 1501 T HN 0.232 nan 8.240 nan 0.000 0.544 1502 R N 1.762 122.283 120.500 0.036 0.000 2.117 1502 R HA -0.050 4.293 4.340 0.006 0.000 0.243 1502 R C 1.184 177.496 176.300 0.019 0.000 1.143 1502 R CA 1.959 58.071 56.100 0.019 0.000 0.968 1502 R CB -0.310 29.998 30.300 0.013 0.000 0.863 1502 R HN 0.532 nan 8.270 nan 0.000 0.444 1503 N N -0.646 118.070 118.700 0.027 0.000 2.187 1503 N HA 0.124 4.867 4.740 0.006 0.000 0.212 1503 N C -0.674 174.853 175.510 0.029 0.000 1.152 1503 N CA -0.266 52.798 53.050 0.023 0.000 0.872 1503 N CB 0.702 39.201 38.487 0.019 0.000 1.025 1503 N HN -0.049 nan 8.380 nan 0.000 0.514 1504 I N 1.033 121.630 120.570 0.044 0.000 2.496 1504 I HA 0.099 4.272 4.170 0.006 0.000 0.285 1504 I C 1.209 177.345 176.117 0.032 0.000 1.080 1504 I CA 0.362 61.691 61.300 0.048 0.000 1.404 1504 I CB 1.467 39.519 38.000 0.088 0.000 1.403 1504 I HN 0.064 nan 8.210 nan 0.000 0.539 1505 R N 3.812 124.323 120.500 0.018 0.000 2.167 1505 R HA 0.282 4.625 4.340 0.006 0.000 0.201 1505 R C -0.322 175.981 176.300 0.005 0.000 1.024 1505 R CA 0.266 56.372 56.100 0.009 0.000 1.053 1505 R CB 0.133 30.435 30.300 0.004 0.000 0.987 1505 R HN 0.527 nan 8.270 nan 0.000 0.493 1506 L N 0.330 121.554 121.223 0.001 0.000 2.362 1506 L HA 0.567 4.910 4.340 0.006 0.000 0.275 1506 L C -1.397 175.468 176.870 -0.009 0.000 0.998 1506 L CA -0.793 54.046 54.840 -0.001 0.000 0.820 1506 L CB 2.254 44.313 42.059 -0.001 0.000 1.270 1506 L HN -0.235 nan 8.230 nan 0.000 0.415 1507 V N 5.113 125.026 119.914 -0.001 0.000 2.357 1507 V HA 0.553 4.676 4.120 0.006 0.000 0.284 1507 V C -0.377 175.825 176.094 0.180 0.000 1.018 1507 V CA -0.397 61.930 62.300 0.045 0.000 0.841 1507 V CB 1.268 33.039 31.823 -0.088 0.000 0.991 1507 V HN 0.872 nan 8.190 nan 0.000 0.437 1508 Q N 4.625 124.576 119.800 0.252 0.000 2.397 1508 Q HA 0.826 5.169 4.340 0.006 0.000 0.275 1508 Q C -1.740 174.493 176.000 0.388 0.000 1.090 1508 Q CA -0.649 55.254 55.803 0.165 0.000 0.809 1508 Q CB 2.755 31.527 28.738 0.057 0.000 1.362 1508 Q HN 0.731 nan 8.270 nan 0.000 0.431 1509 F N -0.815 119.233 119.950 0.163 0.000 2.725 1509 F HA 0.471 5.002 4.527 0.006 0.000 0.309 1509 F C -2.120 173.753 175.800 0.121 0.000 1.132 1509 F CA -1.213 56.924 58.000 0.227 0.000 0.957 1509 F CB 0.603 39.764 39.000 0.269 0.000 1.286 1509 F HN 0.354 nan 8.300 nan 0.000 0.440 1510 Y N 2.252 122.724 120.300 0.286 0.000 2.320 1510 Y HA 0.705 5.258 4.550 0.005 0.000 0.324 1510 Y C -0.172 175.921 175.900 0.322 0.000 1.190 1510 Y CA -0.684 57.536 58.100 0.201 0.000 1.215 1510 Y CB 1.690 40.258 38.460 0.180 0.000 1.221 1510 Y HN 0.721 nan 8.280 nan 0.000 0.486 1511 I N 2.024 122.813 120.570 0.365 0.000 2.722 1511 I HA 0.412 4.586 4.170 0.006 0.000 0.295 1511 I C -1.502 174.780 176.117 0.274 0.000 1.161 1511 I CA -0.507 60.977 61.300 0.306 0.000 1.032 1511 I CB 2.110 40.212 38.000 0.171 0.000 1.244 1511 I HN 0.676 nan 8.210 nan 0.000 0.421 1512 Q N 6.666 126.635 119.800 0.281 0.000 2.305 1512 Q HA 0.651 4.994 4.340 0.006 0.000 0.271 1512 Q C -1.968 174.211 176.000 0.298 0.000 1.046 1512 Q CA -0.661 55.315 55.803 0.288 0.000 0.798 1512 Q CB 2.065 30.944 28.738 0.236 0.000 1.286 1512 Q HN 0.712 nan 8.270 nan 0.000 0.435 1513 I N 3.894 124.637 120.570 0.289 0.000 2.420 1513 I HA 0.559 4.732 4.170 0.006 0.000 0.282 1513 I C 0.513 176.750 176.117 0.200 0.000 1.019 1513 I CA -0.279 61.172 61.300 0.252 0.000 1.130 1513 I CB 1.361 39.470 38.000 0.181 0.000 1.262 1513 I HN 0.929 nan 8.210 nan 0.000 0.454 1514 G N 4.349 113.265 108.800 0.192 0.000 2.752 1514 G HA2 -0.122 3.841 3.960 0.006 0.000 0.234 1514 G HA3 -0.122 3.841 3.960 0.006 0.000 0.234 1514 G C -0.477 174.487 174.900 0.107 0.000 1.367 1514 G CA -0.115 45.065 45.100 0.133 0.000 0.879 1514 G HN 0.733 nan 8.290 nan 0.000 0.563 1515 S N -1.697 114.045 115.700 0.069 0.000 2.547 1515 S HA 0.590 5.064 4.470 0.006 0.000 0.270 1515 S C 0.796 175.411 174.600 0.025 0.000 1.150 1515 S CA 0.284 58.513 58.200 0.048 0.000 0.850 1515 S CB 1.674 64.901 63.200 0.045 0.000 1.118 1515 S HN 0.805 nan 8.310 nan 0.000 0.461 1516 K N 0.605 121.012 120.400 0.012 0.000 2.167 1516 K HA 0.031 4.355 4.320 0.006 0.000 0.203 1516 K C 1.432 178.035 176.600 0.004 0.000 1.052 1516 K CA 1.510 57.798 56.287 0.002 0.000 0.956 1516 K CB 0.029 32.524 32.500 -0.007 0.000 0.735 1516 K HN 0.744 nan 8.250 nan 0.000 0.451 1517 T N -4.005 110.553 114.554 0.006 0.000 3.087 1517 T HA 0.158 4.512 4.350 0.006 0.000 0.283 1517 T C 1.304 176.003 174.700 -0.001 0.000 0.956 1517 T CA -0.361 61.739 62.100 0.001 0.000 0.894 1517 T CB 0.417 69.284 68.868 -0.002 0.000 1.160 1517 T HN -0.165 nan 8.240 nan 0.000 0.532 1518 S N 1.179 116.881 115.700 0.003 0.000 2.603 1518 S HA 0.543 5.016 4.470 0.006 0.000 0.220 1518 S C 1.443 176.038 174.600 -0.009 0.000 0.967 1518 S CA 0.270 58.466 58.200 -0.006 0.000 0.920 1518 S CB -0.371 62.825 63.200 -0.007 0.000 0.773 1518 S HN 1.222 nan 8.310 nan 0.000 0.529 1519 G N 2.175 110.975 108.800 -0.001 0.000 2.568 1519 G HA2 -0.253 3.710 3.960 0.006 0.000 0.222 1519 G HA3 -0.253 3.710 3.960 0.006 0.000 0.222 1519 G C 0.574 175.478 174.900 0.006 0.000 1.321 1519 G CA -0.290 44.809 45.100 -0.002 0.000 0.893 1519 G HN 0.608 nan 8.290 nan 0.000 0.569 1520 I N -1.339 119.232 120.570 0.001 0.000 2.756 1520 I HA 0.085 4.258 4.170 0.006 0.000 0.262 1520 I C 2.320 178.447 176.117 0.018 0.000 1.225 1520 I CA 2.277 63.580 61.300 0.005 0.000 1.472 1520 I CB -0.598 37.400 38.000 -0.004 0.000 1.094 1520 I HN 0.734 nan 8.210 nan 0.000 0.454 1521 T N -2.888 111.679 114.554 0.021 0.000 3.100 1521 T HA 0.110 4.463 4.350 0.006 0.000 0.253 1521 T C 0.742 175.525 174.700 0.138 0.000 1.118 1521 T CA 0.030 62.172 62.100 0.070 0.000 1.058 1521 T CB -0.540 68.322 68.868 -0.010 0.000 0.953 1521 T HN 0.449 nan 8.240 nan 0.000 0.515 1522 c N 2.410 121.060 118.600 0.084 0.000 3.319 1522 c HA 0.539 5.112 4.570 0.006 0.000 0.258 1522 c C 0.135 174.268 174.090 0.072 0.000 1.068 1522 c CA -1.874 54.520 56.329 0.108 0.000 1.193 1522 c CB -1.557 41.010 42.510 0.096 0.000 1.770 1522 c HN 0.711 nan 8.230 nan 0.000 0.604 1523 I N 0.126 120.733 120.570 0.063 0.000 2.945 1523 I HA 0.398 4.571 4.170 0.006 0.000 0.292 1523 I C 0.301 176.451 176.117 0.055 0.000 1.093 1523 I CA -0.140 61.188 61.300 0.046 0.000 1.336 1523 I CB 0.515 38.535 38.000 0.034 0.000 1.435 1523 I HN 0.387 nan 8.210 nan 0.000 0.593 1524 K N 3.813 124.239 120.400 0.043 0.000 2.368 1524 K HA 0.345 4.668 4.320 0.006 0.000 0.282 1524 K C -2.342 174.294 176.600 0.061 0.000 1.035 1524 K CA -1.339 54.972 56.287 0.039 0.000 0.973 1524 K CB 0.446 32.958 32.500 0.020 0.000 0.957 1524 K HN 0.431 nan 8.250 nan 0.000 0.474 1525 P HA 0.085 nan 4.420 nan 0.000 0.269 1525 P C -0.553 176.859 177.300 0.187 0.000 1.215 1525 P CA -0.090 63.099 63.100 0.147 0.000 0.780 1525 P CB 0.852 32.670 31.700 0.196 0.000 0.898 1526 R N 0.948 121.590 120.500 0.237 0.000 2.412 1526 R HA 0.462 4.805 4.340 0.006 0.000 0.212 1526 R C 0.161 176.614 176.300 0.255 0.000 0.878 1526 R CA 0.061 56.293 56.100 0.221 0.000 1.022 1526 R CB 0.690 31.058 30.300 0.113 0.000 1.265 1526 R HN 0.484 nan 8.270 nan 0.000 0.620 1527 A N 0.306 123.191 122.820 0.108 0.000 2.413 1527 A HA 0.445 4.769 4.320 0.006 0.000 0.307 1527 A C 0.129 177.251 177.584 -0.771 0.000 1.087 1527 A CA -0.673 51.225 52.037 -0.232 0.000 0.750 1527 A CB 1.538 20.459 19.000 -0.131 0.000 1.296 1527 A HN 0.072 nan 8.150 nan 0.000 0.423 1528 R N 0.649 120.477 120.500 -1.120 0.000 2.159 1528 R HA -0.114 4.230 4.340 0.006 0.000 0.237 1528 R C 0.467 176.429 176.300 -0.563 0.000 1.131 1528 R CA 1.327 56.683 56.100 -1.240 0.000 0.982 1528 R CB 0.000 29.869 30.300 -0.718 0.000 0.868 1528 R HN 0.689 nan 8.270 nan 0.000 0.453 1529 N N 1.025 119.495 118.700 -0.383 0.000 2.571 1529 N HA -0.084 4.659 4.740 0.006 0.000 0.189 1529 N C 0.615 175.901 175.510 -0.373 0.000 1.154 1529 N CA 0.731 53.578 53.050 -0.338 0.000 0.907 1529 N CB 0.194 38.554 38.487 -0.212 0.000 0.977 1529 N HN 0.416 nan 8.380 nan 0.000 0.449 1530 E N -0.113 119.931 120.200 -0.260 0.000 2.489 1530 E HA 0.088 4.442 4.350 0.006 0.000 0.193 1530 E C 1.190 177.691 176.600 -0.164 0.000 1.057 1530 E CA -0.253 56.044 56.400 -0.173 0.000 0.866 1530 E CB 0.260 29.954 29.700 -0.010 0.000 0.916 1530 E HN 0.213 nan 8.360 nan 0.000 0.500 1531 G N 0.768 109.476 108.800 -0.153 0.000 2.631 1531 G HA2 0.225 4.188 3.960 0.006 0.000 0.271 1531 G HA3 0.225 4.188 3.960 0.006 0.000 0.271 1531 G C -0.258 174.411 174.900 -0.384 0.000 1.302 1531 G CA -0.461 44.561 45.100 -0.131 0.000 1.002 1531 G HN -0.023 nan 8.290 nan 0.000 0.519 1532 L N -0.775 120.223 121.223 -0.376 0.000 2.333 1532 L HA 0.565 4.909 4.340 0.006 0.000 0.269 1532 L C -0.395 176.261 176.870 -0.357 0.000 1.010 1532 L CA -0.653 53.864 54.840 -0.538 0.000 0.818 1532 L CB 2.029 43.705 42.059 -0.639 0.000 1.306 1532 L HN 0.191 nan 8.230 nan 0.000 0.430 1533 V N 2.585 122.282 119.914 -0.362 0.000 2.487 1533 V HA 0.464 4.587 4.120 0.006 0.000 0.298 1533 V C -0.169 175.806 176.094 -0.199 0.000 1.028 1533 V CA -0.727 61.459 62.300 -0.191 0.000 0.860 1533 V CB 2.291 34.061 31.823 -0.089 0.000 0.991 1533 V HN 0.437 nan 8.190 nan 0.000 0.427 1534 V N 5.185 124.981 119.914 -0.197 0.000 2.398 1534 V HA 0.556 4.679 4.120 0.006 0.000 0.286 1534 V C -0.216 175.790 176.094 -0.146 0.000 1.026 1534 V CA -0.428 61.660 62.300 -0.353 0.000 0.868 1534 V CB 1.356 32.932 31.823 -0.411 0.000 0.982 1534 V HN 0.956 nan 8.190 nan 0.000 0.443 1535 Q N 2.686 122.403 119.800 -0.139 0.000 2.451 1535 Q HA 0.628 4.972 4.340 0.006 0.000 0.281 1535 Q C -1.623 174.591 176.000 0.357 0.000 1.099 1535 Q CA -0.837 55.021 55.803 0.092 0.000 0.806 1535 Q CB 3.343 32.086 28.738 0.008 0.000 1.419 1535 Q HN 0.836 nan 8.270 nan 0.000 0.427 1536 Y N -1.833 118.689 120.300 0.370 0.000 2.549 1536 Y HA 0.853 5.407 4.550 0.006 0.000 0.339 1536 Y C -0.713 175.311 175.900 0.207 0.000 1.053 1536 Y CA -1.006 57.239 58.100 0.242 0.000 1.105 1536 Y CB 1.991 40.444 38.460 -0.011 0.000 1.258 1536 Y HN 0.439 nan 8.280 nan 0.000 0.478 1537 S N 1.310 116.935 115.700 -0.126 0.000 2.571 1537 S HA 0.385 4.858 4.470 0.006 0.000 0.284 1537 S C -0.808 173.645 174.600 -0.245 0.000 1.128 1537 S CA -0.835 57.079 58.200 -0.476 0.000 0.970 1537 S CB 0.703 63.049 63.200 -1.422 0.000 1.039 1537 S HN 0.780 nan 8.310 nan 0.000 0.485 1538 N N 2.601 121.235 118.700 -0.111 0.000 2.270 1538 N HA 0.144 4.887 4.740 0.006 0.000 0.198 1538 N C -0.599 174.840 175.510 -0.119 0.000 1.117 1538 N CA 0.239 53.251 53.050 -0.063 0.000 0.845 1538 N CB 0.367 38.869 38.487 0.026 0.000 0.980 1538 N HN 0.753 nan 8.380 nan 0.000 0.486 1539 D N -1.550 118.709 120.400 -0.235 0.000 2.908 1539 D HA 0.126 4.770 4.640 0.006 0.000 0.361 1539 D C -0.207 175.851 176.300 -0.404 0.000 1.416 1539 D CA -0.728 53.121 54.000 -0.252 0.000 0.796 1539 D CB -0.745 39.950 40.800 -0.176 0.000 1.185 1539 D HN -0.192 nan 8.370 nan 0.000 0.451 1540 N N 1.199 119.635 118.700 -0.441 0.000 2.727 1540 N HA -0.199 4.545 4.740 0.006 0.000 0.249 1540 N C 1.083 176.286 175.510 -0.511 0.000 1.048 1540 N CA 1.780 54.528 53.050 -0.504 0.000 0.714 1540 N CB -1.241 36.797 38.487 -0.747 0.000 0.959 1540 N HN 0.928 nan 8.380 nan 0.000 0.544 1541 G N -1.819 106.531 108.800 -0.750 0.000 2.159 1541 G HA2 -0.284 3.680 3.960 0.006 0.000 0.227 1541 G HA3 -0.284 3.680 3.960 0.006 0.000 0.227 1541 G C 0.983 175.531 174.900 -0.587 0.000 0.986 1541 G CA 0.269 44.888 45.100 -0.800 0.000 0.651 1541 G HN 0.459 nan 8.290 nan 0.000 0.523 1542 I N -0.821 119.425 120.570 -0.539 0.000 2.277 1542 I HA 0.200 4.374 4.170 0.006 0.000 0.243 1542 I C 0.881 176.740 176.117 -0.429 0.000 1.094 1542 I CA 0.881 61.937 61.300 -0.407 0.000 1.393 1542 I CB 0.013 37.770 38.000 -0.406 0.000 1.078 1542 I HN 0.118 nan 8.210 nan 0.000 0.417 1543 L N -0.323 120.580 121.223 -0.533 0.000 2.356 1543 L HA 0.337 4.680 4.340 0.006 0.000 0.277 1543 L C -1.531 174.910 176.870 -0.715 0.000 0.996 1543 L CA 0.014 54.555 54.840 -0.499 0.000 0.822 1543 L CB 1.363 43.194 42.059 -0.382 0.000 1.256 1543 L HN -0.024 nan 8.230 nan 0.000 0.413 1544 W N 3.361 124.377 121.300 -0.472 0.000 2.520 1544 W HA 0.531 5.194 4.660 0.005 0.000 0.323 1544 W C -0.048 176.072 176.519 -0.665 0.000 1.062 1544 W CA -0.428 56.637 57.345 -0.467 0.000 1.215 1544 W CB 1.170 30.462 29.460 -0.281 0.000 1.340 1544 W HN 0.356 nan 8.180 nan 0.000 0.516 1545 H N 3.050 121.978 119.070 -0.236 0.000 2.524 1545 H HA 0.294 4.853 4.556 0.006 0.000 0.353 1545 H C -0.555 174.655 175.328 -0.197 0.000 1.136 1545 H CA -1.231 54.605 56.048 -0.353 0.000 1.193 1545 H CB 2.295 31.567 29.762 -0.817 0.000 1.558 1545 H HN 0.217 nan 8.280 nan 0.000 0.515 1546 L N 2.666 123.937 121.223 0.080 0.000 2.513 1546 L HA -0.053 4.290 4.340 0.006 0.000 0.272 1546 L C 0.400 177.403 176.870 0.222 0.000 1.187 1546 L CA 0.533 55.448 54.840 0.125 0.000 0.895 1546 L CB -0.034 42.091 42.059 0.109 0.000 1.147 1546 L HN 0.618 nan 8.230 nan 0.000 0.483 1547 L N 3.261 124.614 121.223 0.216 0.000 2.349 1547 L HA 0.319 4.663 4.340 0.006 0.000 0.200 1547 L C 0.291 177.249 176.870 0.146 0.000 1.064 1547 L CA -0.121 54.862 54.840 0.238 0.000 0.821 1547 L CB 0.211 42.426 42.059 0.259 0.000 1.027 1547 L HN 0.685 nan 8.230 nan 0.000 0.476 1548 R N 0.257 120.815 120.500 0.097 0.000 2.563 1548 R HA 0.196 4.540 4.340 0.006 0.000 0.262 1548 R C -1.330 174.998 176.300 0.046 0.000 1.128 1548 R CA -0.316 55.836 56.100 0.086 0.000 0.969 1548 R CB 1.218 31.589 30.300 0.118 0.000 1.251 1548 R HN -0.065 nan 8.270 nan 0.000 0.442 1549 E N 4.622 124.852 120.200 0.050 0.000 2.174 1549 E HA 0.351 4.704 4.350 0.006 0.000 0.282 1549 E C -0.826 175.812 176.600 0.063 0.000 0.992 1549 E CA -0.624 55.789 56.400 0.022 0.000 0.803 1549 E CB 0.907 30.620 29.700 0.021 0.000 1.090 1549 E HN 0.525 nan 8.360 nan 0.000 0.396 1550 L N 4.149 125.389 121.223 0.028 0.000 2.272 1550 L HA 0.286 4.629 4.340 0.006 0.000 0.289 1550 L C -0.049 176.957 176.870 0.226 0.000 1.032 1550 L CA -0.820 54.091 54.840 0.119 0.000 0.810 1550 L CB 1.276 43.220 42.059 -0.193 0.000 1.205 1550 L HN 0.590 nan 8.230 nan 0.000 0.422 1551 D N 1.850 122.492 120.400 0.402 0.000 2.389 1551 D HA -0.022 4.621 4.640 0.006 0.000 0.247 1551 D C 1.161 177.666 176.300 0.341 0.000 1.128 1551 D CA -0.145 54.038 54.000 0.305 0.000 0.884 1551 D CB 0.744 41.659 40.800 0.192 0.000 1.194 1551 D HN 0.410 nan 8.370 nan 0.000 0.441 1552 F N 2.565 122.547 119.950 0.053 0.000 2.236 1552 F HA -0.124 4.407 4.527 0.006 0.000 0.302 1552 F C 1.175 177.004 175.800 0.048 0.000 1.073 1552 F CA 0.670 58.688 58.000 0.030 0.000 1.336 1552 F CB -0.166 38.818 39.000 -0.027 0.000 1.040 1552 F HN 0.252 nan 8.300 nan 0.000 0.507 1553 M N 0.170 119.447 119.600 -0.538 0.000 2.346 1553 M HA 0.176 4.659 4.480 0.006 0.000 0.280 1553 M C 1.189 177.293 176.300 -0.326 0.000 1.075 1553 M CA 0.241 55.204 55.300 -0.562 0.000 0.989 1553 M CB -0.104 32.001 32.600 -0.824 0.000 1.447 1553 M HN 0.104 nan 8.290 nan 0.000 0.511 1554 S N -0.494 115.022 115.700 -0.306 0.000 2.556 1554 S HA 0.244 4.718 4.470 0.006 0.000 0.216 1554 S C 0.534 174.586 174.600 -0.913 0.000 0.970 1554 S CA 0.029 57.861 58.200 -0.613 0.000 0.912 1554 S CB 0.075 62.809 63.200 -0.775 0.000 0.790 1554 S HN 0.390 nan 8.310 nan 0.000 0.504 1555 F N 0.680 120.619 119.950 -0.019 0.000 2.841 1555 F HA 0.439 4.969 4.527 0.006 0.000 0.358 1555 F C 0.900 176.720 175.800 0.033 0.000 1.261 1555 F CA -0.287 57.729 58.000 0.026 0.000 1.233 1555 F CB -0.120 38.916 39.000 0.061 0.000 1.008 1555 F HN 0.014 nan 8.300 nan 0.000 0.507 1556 L N -0.221 121.035 121.223 0.055 0.000 2.275 1556 L HA -0.026 4.317 4.340 0.006 0.000 0.215 1556 L C 0.576 177.488 176.870 0.070 0.000 1.119 1556 L CA 1.394 56.264 54.840 0.051 0.000 0.790 1556 L CB -0.194 41.857 42.059 -0.013 0.000 0.919 1556 L HN 0.218 nan 8.230 nan 0.000 0.443 1557 E N -0.978 119.269 120.200 0.078 0.000 2.277 1557 E HA 0.345 4.698 4.350 0.006 0.000 0.266 1557 E C -2.420 174.277 176.600 0.162 0.000 0.901 1557 E CA -2.414 54.042 56.400 0.094 0.000 0.782 1557 E CB 1.536 31.268 29.700 0.053 0.000 1.228 1557 E HN -0.200 nan 8.360 nan 0.000 0.424 1558 P HA -0.007 nan 4.420 nan 0.000 0.268 1558 P C -0.986 176.479 177.300 0.276 0.000 1.205 1558 P CA 0.156 63.406 63.100 0.250 0.000 0.771 1558 P CB 0.543 32.379 31.700 0.227 0.000 0.858 1559 Q N 1.553 121.547 119.800 0.323 0.000 2.421 1559 Q HA 0.486 4.830 4.340 0.006 0.000 0.280 1559 Q C -0.619 175.403 176.000 0.037 0.000 1.085 1559 Q CA -0.845 55.096 55.803 0.230 0.000 0.807 1559 Q CB 2.706 31.659 28.738 0.358 0.000 1.405 1559 Q HN 0.441 nan 8.270 nan 0.000 0.419 1560 I N 1.961 122.410 120.570 -0.202 0.000 2.440 1560 I HA 0.331 4.505 4.170 0.006 0.000 0.294 1560 I C -0.854 175.046 176.117 -0.362 0.000 0.995 1560 I CA -0.650 60.317 61.300 -0.555 0.000 1.306 1560 I CB 0.608 38.173 38.000 -0.726 0.000 1.407 1560 I HN 0.411 nan 8.210 nan 0.000 0.501 1561 I N 5.883 126.118 120.570 -0.559 0.000 2.466 1561 I HA 0.299 4.472 4.170 0.006 0.000 0.289 1561 I C -0.608 175.232 176.117 -0.462 0.000 1.026 1561 I CA -0.405 60.572 61.300 -0.538 0.000 1.078 1561 I CB 1.639 39.068 38.000 -0.950 0.000 1.249 1561 I HN 0.438 nan 8.210 nan 0.000 0.429 1562 S N 7.273 122.837 115.700 -0.226 0.000 2.596 1562 S HA 0.645 5.118 4.470 0.006 0.000 0.318 1562 S C -0.246 174.325 174.600 -0.049 0.000 1.097 1562 S CA -0.476 57.651 58.200 -0.121 0.000 1.080 1562 S CB 1.487 64.635 63.200 -0.087 0.000 0.991 1562 S HN 0.353 nan 8.310 nan 0.000 0.471 1563 I N 2.404 122.974 120.570 -0.000 0.000 2.362 1563 I HA 0.267 4.440 4.170 0.006 0.000 0.289 1563 I C -0.399 175.733 176.117 0.025 0.000 0.994 1563 I CA -0.693 60.628 61.300 0.035 0.000 1.158 1563 I CB 1.307 39.360 38.000 0.089 0.000 1.315 1563 I HN 0.424 nan 8.210 nan 0.000 0.451 1564 D N 7.298 127.709 120.400 0.020 0.000 2.339 1564 D HA 0.223 4.867 4.640 0.006 0.000 0.256 1564 D C -0.160 176.150 176.300 0.017 0.000 1.214 1564 D CA -0.005 54.003 54.000 0.014 0.000 0.877 1564 D CB 0.835 41.642 40.800 0.011 0.000 1.111 1564 D HN 0.332 nan 8.370 nan 0.000 0.478 1565 L N 5.786 127.014 121.223 0.009 0.000 2.453 1565 L HA 0.200 4.543 4.340 0.006 0.000 0.272 1565 L C -1.492 175.362 176.870 -0.027 0.000 1.182 1565 L CA -1.315 53.523 54.840 -0.005 0.000 0.858 1565 L CB 0.616 42.677 42.059 0.003 0.000 1.120 1565 L HN 0.336 nan 8.230 nan 0.000 0.474 1566 P HA 0.161 nan 4.420 nan 0.000 0.274 1566 P C -0.039 177.208 177.300 -0.087 0.000 1.237 1566 P CA -0.493 62.577 63.100 -0.050 0.000 0.793 1566 P CB 0.712 32.396 31.700 -0.027 0.000 0.977 1567 R N 0.898 121.367 120.500 -0.052 0.000 2.103 1567 R HA -0.196 4.148 4.340 0.006 0.000 0.242 1567 R C 1.856 178.109 176.300 -0.079 0.000 1.142 1567 R CA 1.837 57.907 56.100 -0.050 0.000 0.960 1567 R CB -0.720 29.565 30.300 -0.025 0.000 0.858 1567 R HN 0.518 nan 8.270 nan 0.000 0.439 1568 E N 0.482 120.631 120.200 -0.086 0.000 2.333 1568 E HA -0.083 4.270 4.350 0.006 0.000 0.198 1568 E C 1.274 177.762 176.600 -0.188 0.000 1.007 1568 E CA 1.158 57.510 56.400 -0.080 0.000 0.845 1568 E CB 0.102 29.798 29.700 -0.008 0.000 0.766 1568 E HN 0.430 nan 8.360 nan 0.000 0.507 1569 A N 0.574 123.132 122.820 -0.437 0.000 2.379 1569 A HA 0.103 4.427 4.320 0.006 0.000 0.236 1569 A C 0.143 177.576 177.584 -0.252 0.000 1.272 1569 A CA -0.190 51.428 52.037 -0.698 0.000 0.886 1569 A CB 0.166 18.474 19.000 -1.153 0.000 0.962 1569 A HN -0.066 nan 8.150 nan 0.000 0.504 1570 K N 1.629 121.948 120.400 -0.136 0.000 2.419 1570 K HA 0.391 4.714 4.320 0.006 0.000 0.244 1570 K C -0.477 176.104 176.600 -0.032 0.000 1.045 1570 K CA -0.019 56.238 56.287 -0.049 0.000 1.004 1570 K CB 0.974 33.455 32.500 -0.032 0.000 1.376 1570 K HN 0.417 nan 8.250 nan 0.000 0.460 1571 T N -1.684 112.857 114.554 -0.021 0.000 2.812 1571 T HA 0.380 4.733 4.350 0.006 0.000 0.294 1571 T C -2.507 172.196 174.700 0.005 0.000 1.159 1571 T CA -1.912 60.181 62.100 -0.010 0.000 1.008 1571 T CB 1.850 70.710 68.868 -0.014 0.000 1.289 1571 T HN -0.028 nan 8.240 nan 0.000 0.514 1572 P HA 0.308 nan 4.420 nan 0.000 0.234 1572 P C 0.017 177.332 177.300 0.025 0.000 1.167 1572 P CA 0.437 63.546 63.100 0.016 0.000 0.763 1572 P CB 0.099 31.805 31.700 0.011 0.000 0.835 1573 A N -0.957 121.875 122.820 0.020 0.000 3.005 1573 A HA 0.453 4.776 4.320 0.006 0.000 0.308 1573 A C -0.478 177.093 177.584 -0.021 0.000 1.173 1573 A CA -0.175 51.880 52.037 0.029 0.000 0.796 1573 A CB -0.035 19.005 19.000 0.066 0.000 1.325 1573 A HN -0.155 nan 8.150 nan 0.000 0.467 1574 T N 1.689 116.207 114.554 -0.060 0.000 2.809 1574 T HA 0.673 5.026 4.350 0.006 0.000 0.284 1574 T C 0.214 174.725 174.700 -0.315 0.000 0.992 1574 T CA 0.152 62.138 62.100 -0.189 0.000 0.957 1574 T CB 1.449 70.180 68.868 -0.229 0.000 0.942 1574 T HN 1.090 nan 8.240 nan 0.000 0.439 1575 A N 3.220 125.854 122.820 -0.309 0.000 2.282 1575 A HA 0.934 5.257 4.320 0.006 0.000 0.319 1575 A C -1.021 176.423 177.584 -0.233 0.000 1.121 1575 A CA -0.565 51.380 52.037 -0.153 0.000 0.836 1575 A CB 0.562 19.554 19.000 -0.014 0.000 1.146 1575 A HN 0.726 nan 8.150 nan 0.000 0.494 1576 F N -0.202 119.989 119.950 0.401 0.000 2.561 1576 F HA 0.741 5.272 4.527 0.006 0.000 0.321 1576 F C 0.575 176.547 175.800 0.287 0.000 1.065 1576 F CA -0.462 57.727 58.000 0.316 0.000 0.934 1576 F CB 2.330 41.377 39.000 0.079 0.000 1.215 1576 F HN 0.785 nan 8.300 nan 0.000 0.471 1577 R N 0.865 121.406 120.500 0.067 0.000 2.707 1577 R HA 0.500 4.844 4.340 0.006 0.000 0.272 1577 R C -2.340 173.815 176.300 -0.242 0.000 1.011 1577 R CA -0.873 55.205 56.100 -0.036 0.000 0.893 1577 R CB 1.831 31.831 30.300 -0.500 0.000 1.233 1577 R HN 0.686 nan 8.270 nan 0.000 0.464 1578 W N 2.602 123.888 121.300 -0.025 0.000 2.471 1578 W HA 0.344 5.008 4.660 0.006 0.000 0.318 1578 W C -1.341 175.101 176.519 -0.128 0.000 1.034 1578 W CA -0.723 56.530 57.345 -0.152 0.000 1.224 1578 W CB 1.966 31.331 29.460 -0.159 0.000 1.335 1578 W HN 0.634 nan 8.180 nan 0.000 0.452 1579 W N 5.065 126.178 121.300 -0.311 0.000 3.129 1579 W HA 0.340 5.004 4.660 0.006 0.000 0.333 1579 W C -1.397 174.853 176.519 -0.449 0.000 1.141 1579 W CA -0.958 56.200 57.345 -0.312 0.000 1.224 1579 W CB 1.422 30.707 29.460 -0.291 0.000 1.393 1579 W HN 0.274 nan 8.180 nan 0.000 0.499 1580 Q N 7.502 126.774 119.800 -0.881 0.000 2.331 1580 Q HA 0.279 4.622 4.340 0.006 0.000 0.257 1580 Q C -1.854 173.318 176.000 -1.379 0.000 0.957 1580 Q CA -1.688 53.505 55.803 -1.016 0.000 0.923 1580 Q CB 2.180 30.562 28.738 -0.593 0.000 1.212 1580 Q HN 0.250 nan 8.270 nan 0.000 0.443 1581 P HA -0.212 nan 4.420 nan 0.000 0.214 1581 P C -0.363 176.216 177.300 -1.201 0.000 1.163 1581 P CA 1.060 62.994 63.100 -1.944 0.000 0.883 1581 P CB 0.161 30.661 31.700 -2.001 0.000 0.788 1582 Q N -0.018 119.312 119.800 -0.784 0.000 2.337 1582 Q HA -0.058 4.285 4.340 0.006 0.000 0.270 1582 Q C 0.297 176.279 176.000 -0.030 0.000 1.002 1582 Q CA -0.094 55.561 55.803 -0.247 0.000 0.888 1582 Q CB -0.013 28.640 28.738 -0.142 0.000 1.222 1582 Q HN 0.320 nan 8.270 nan 0.000 0.400 1583 H N 2.709 121.814 119.070 0.058 0.000 3.173 1583 H HA -0.129 4.431 4.556 0.006 0.000 0.311 1583 H C 0.912 176.210 175.328 -0.050 0.000 0.972 1583 H CA 0.581 56.660 56.048 0.052 0.000 1.384 1583 H CB 0.766 30.615 29.762 0.144 0.000 1.349 1583 H HN 0.989 nan 8.280 nan 0.000 0.582 1584 G N 4.491 113.098 108.800 -0.322 0.000 2.432 1584 G HA2 -0.314 3.649 3.960 0.006 0.000 0.219 1584 G HA3 -0.314 3.649 3.960 0.006 0.000 0.219 1584 G C 1.668 176.251 174.900 -0.529 0.000 1.135 1584 G CA 0.762 45.642 45.100 -0.366 0.000 0.767 1584 G HN 0.559 nan 8.290 nan 0.000 0.550 1585 K N 0.599 120.435 120.400 -0.938 0.000 2.113 1585 K HA -0.157 4.166 4.320 0.006 0.000 0.208 1585 K C 1.278 177.469 176.600 -0.682 0.000 1.047 1585 K CA 1.301 57.082 56.287 -0.843 0.000 0.928 1585 K CB -0.392 31.521 32.500 -0.979 0.000 0.716 1585 K HN 0.529 nan 8.250 nan 0.000 0.446 1586 H N -1.317 117.606 119.070 -0.245 0.000 2.512 1586 H HA 0.407 4.967 4.556 0.005 0.000 0.276 1586 H C -0.845 174.437 175.328 -0.076 0.000 1.126 1586 H CA -0.313 55.673 56.048 -0.102 0.000 1.060 1586 H CB 0.775 30.520 29.762 -0.029 0.000 1.646 1586 H HN -0.093 nan 8.280 nan 0.000 0.571 1587 S N 0.785 116.458 115.700 -0.045 0.000 2.521 1587 S HA 0.620 5.093 4.470 0.006 0.000 0.295 1587 S C 0.009 174.611 174.600 0.003 0.000 1.098 1587 S CA -0.855 57.338 58.200 -0.013 0.000 0.999 1587 S CB 1.737 64.914 63.200 -0.038 0.000 1.034 1587 S HN 0.482 nan 8.310 nan 0.000 0.483 1588 A N 2.769 125.619 122.820 0.050 0.000 2.587 1588 A HA 0.195 4.518 4.320 0.006 0.000 0.235 1588 A C 0.287 177.950 177.584 0.132 0.000 1.044 1588 A CA 0.200 52.287 52.037 0.083 0.000 0.754 1588 A CB -0.179 18.887 19.000 0.109 0.000 0.968 1588 A HN 0.750 nan 8.150 nan 0.000 0.509 1589 Q N 1.412 121.273 119.800 0.101 0.000 2.417 1589 Q HA 0.532 4.875 4.340 0.006 0.000 0.241 1589 Q C 0.106 176.250 176.000 0.240 0.000 1.008 1589 Q CA 0.566 56.405 55.803 0.061 0.000 0.901 1589 Q CB 0.794 29.526 28.738 -0.010 0.000 1.259 1589 Q HN 0.809 nan 8.270 nan 0.000 0.489 1590 W N -1.653 119.650 121.300 0.005 0.000 3.042 1590 W HA 0.859 5.522 4.660 0.005 0.000 0.342 1590 W C -1.690 174.912 176.519 0.138 0.000 1.240 1590 W CA -1.266 56.116 57.345 0.062 0.000 1.166 1590 W CB 0.668 30.117 29.460 -0.018 0.000 1.469 1590 W HN 0.709 nan 8.180 nan 0.000 0.579 1591 A N 1.381 124.421 122.820 0.367 0.000 2.572 1591 A HA 0.828 5.151 4.320 0.006 0.000 0.295 1591 A C -1.891 175.839 177.584 0.243 0.000 1.072 1591 A CA -0.943 51.203 52.037 0.182 0.000 0.691 1591 A CB 1.787 20.874 19.000 0.144 0.000 1.291 1591 A HN 0.634 nan 8.150 nan 0.000 0.404 1592 L N 0.747 122.009 121.223 0.065 0.000 2.319 1592 L HA 0.722 5.065 4.340 0.006 0.000 0.267 1592 L C -0.845 176.122 176.870 0.162 0.000 1.011 1592 L CA -0.797 54.113 54.840 0.116 0.000 0.818 1592 L CB 2.070 44.081 42.059 -0.079 0.000 1.316 1592 L HN 0.730 nan 8.230 nan 0.000 0.432 1593 D N -0.308 120.339 120.400 0.412 0.000 2.661 1593 D HA 0.221 4.864 4.640 0.006 0.000 0.228 1593 D C -1.221 175.375 176.300 0.493 0.000 1.183 1593 D CA -0.153 54.131 54.000 0.473 0.000 0.844 1593 D CB 1.828 42.747 40.800 0.199 0.000 1.555 1593 D HN 0.463 nan 8.370 nan 0.000 0.453 1594 D N 0.651 121.193 120.400 0.237 0.000 2.740 1594 D HA -0.129 4.514 4.640 0.006 0.000 0.231 1594 D C -0.349 176.159 176.300 0.346 0.000 1.194 1594 D CA 0.497 54.589 54.000 0.153 0.000 0.673 1594 D CB -0.960 40.075 40.800 0.390 0.000 0.995 1594 D HN 0.053 nan 8.370 nan 0.000 0.411 1595 V N 0.994 121.037 119.914 0.214 0.000 2.479 1595 V HA 0.186 4.309 4.120 0.006 0.000 0.281 1595 V C 0.605 176.903 176.094 0.339 0.000 1.031 1595 V CA -0.190 62.303 62.300 0.320 0.000 1.038 1595 V CB 1.089 33.085 31.823 0.287 0.000 0.981 1595 V HN 0.280 nan 8.190 nan 0.000 0.478 1596 L N 7.902 129.365 121.223 0.401 0.000 2.376 1596 L HA 0.652 4.996 4.340 0.006 0.000 0.275 1596 L C -0.700 176.283 176.870 0.189 0.000 0.987 1596 L CA 0.104 55.153 54.840 0.349 0.000 0.828 1596 L CB 1.558 43.778 42.059 0.268 0.000 1.249 1596 L HN 0.542 nan 8.230 nan 0.000 0.409 1597 I N 4.404 125.046 120.570 0.119 0.000 2.390 1597 I HA 0.512 4.685 4.170 0.006 0.000 0.283 1597 I C -0.312 175.827 176.117 0.036 0.000 1.016 1597 I CA -0.196 61.127 61.300 0.039 0.000 1.151 1597 I CB 1.626 39.627 38.000 0.002 0.000 1.293 1597 I HN 0.662 nan 8.210 nan 0.000 0.458 1598 S N 5.269 120.979 115.700 0.017 0.000 2.549 1598 S HA 0.438 4.912 4.470 0.006 0.000 0.280 1598 S C 0.819 175.423 174.600 0.006 0.000 1.109 1598 S CA -0.908 57.294 58.200 0.003 0.000 0.905 1598 S CB 1.541 64.725 63.200 -0.027 0.000 1.081 1598 S HN 0.771 nan 8.310 nan 0.000 0.477 1599 R N 2.742 123.245 120.500 0.005 0.000 2.299 1599 R HA 0.269 4.612 4.340 0.006 0.000 0.197 1599 R C 0.750 177.048 176.300 -0.003 0.000 0.971 1599 R CA 0.221 56.325 56.100 0.007 0.000 1.030 1599 R CB -0.933 29.373 30.300 0.010 0.000 0.932 1599 R HN 0.617 nan 8.270 nan 0.000 0.477 1600 L N 0.000 121.215 121.223 -0.014 0.000 2.949 1600 L HA 0.000 4.343 4.340 0.006 0.000 0.249 1600 L CA 0.000 54.828 54.840 -0.019 0.000 0.813 1600 L CB 0.000 42.051 42.059 -0.013 0.000 0.961 1600 L HN 0.000 nan 8.230 nan 0.000 0.502