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 2vk5_1_A DATA FIRST_RESID 1243 DATA SEQUENCE VEGAVKTEPV DLFHPGFLNS SNYRIPALFK TKEGTLIASI DARRHGGADA DATA SEQUENCE PNNDIDTAVR RSEDGGKTWD EGQIIMDYPD KSSVIDTTLI QDDETGRIFL DATA SEQUENCE LVTHFPSKYG FWNAGLGSGF KNIDGKEYLC LYDSSGKEFT VRENVVYDKD DATA SEQUENCE SNKTEYTTNA LGDLFKNGTK IDNINSSTAP LKAKGTSYIN LVYSDDDGKT DATA SEQUENCE WSEPQNINFQ VKKDWMKFLG IAPGRGIQIK NGEHKGRIVV PVYYTNEKGK DATA SEQUENCE QSSAVIYSDD SGKNWTIGES PNDNRKLENG KIINSKTLSD DAPQLTECQV DATA SEQUENCE VEMPNGQLKL FMRNLSGYLN IATSFDGGAT WDETVEKDTN VLEPYCQLSV DATA SEQUENCE INYSQKVDGK DAVIFSNPNA RSRSNGTVRI GLINQVGTYE NGEPKYEFDW DATA SEQUENCE KYNKLVKPGY YAYSCLTELS NGNIGLLYEG TPSEEMSYIE MNLKYLESG 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 1243 V HA 0.000 nan 4.120 nan 0.000 0.244 1243 V C 0.000 176.119 176.094 0.042 0.000 1.182 1243 V CA 0.000 62.329 62.300 0.048 0.000 1.235 1243 V CB 0.000 31.847 31.823 0.041 0.000 1.184 1244 E N 1.418 121.635 120.200 0.029 0.000 2.465 1244 E HA 0.431 4.780 4.350 -0.001 0.000 0.260 1244 E C 1.300 177.915 176.600 0.025 0.000 0.980 1244 E CA 1.416 57.830 56.400 0.023 0.000 0.927 1244 E CB 0.505 30.215 29.700 0.018 0.000 0.934 1244 E HN 2.292 nan 8.360 nan 0.000 0.459 1245 G N 2.636 111.450 108.800 0.022 0.000 2.225 1245 G HA2 -0.328 3.632 3.960 -0.001 0.000 0.254 1245 G HA3 -0.328 3.632 3.960 -0.001 0.000 0.254 1245 G C 0.325 175.244 174.900 0.031 0.000 0.988 1245 G CA 0.040 45.153 45.100 0.022 0.000 0.625 1245 G HN 0.904 nan 8.290 nan 0.000 0.527 1246 A N -0.172 122.676 122.820 0.047 0.000 2.462 1246 A HA 0.620 4.940 4.320 -0.001 0.000 0.243 1246 A C 0.296 177.891 177.584 0.017 0.000 1.076 1246 A CA 0.724 52.808 52.037 0.078 0.000 0.773 1246 A CB 0.953 20.045 19.000 0.153 0.000 1.010 1246 A HN 1.194 nan 8.150 nan 0.000 0.493 1247 V N 3.179 123.089 119.914 -0.006 0.000 2.487 1247 V HA 0.540 4.660 4.120 -0.001 0.000 0.298 1247 V C 0.028 175.961 176.094 -0.268 0.000 1.028 1247 V CA -0.541 61.705 62.300 -0.091 0.000 0.860 1247 V CB 1.641 33.443 31.823 -0.036 0.000 0.991 1247 V HN 0.896 nan 8.190 nan 0.000 0.427 1248 K N 3.727 123.906 120.400 -0.368 0.000 2.740 1248 K HA 0.352 4.671 4.320 -0.001 0.000 0.246 1248 K C -0.083 176.366 176.600 -0.251 0.000 1.021 1248 K CA -0.351 55.642 56.287 -0.489 0.000 1.021 1248 K CB 1.509 33.418 32.500 -0.985 0.000 1.233 1248 K HN 0.855 nan 8.250 nan 0.000 0.497 1249 T N 0.476 114.938 114.554 -0.155 0.000 2.900 1249 T HA 0.169 4.518 4.350 -0.001 0.000 0.307 1249 T C 0.341 175.004 174.700 -0.062 0.000 1.065 1249 T CA -0.585 61.467 62.100 -0.080 0.000 1.105 1249 T CB 0.887 69.736 68.868 -0.031 0.000 0.979 1249 T HN 0.354 nan 8.240 nan 0.000 0.544 1250 E N 2.689 122.871 120.200 -0.030 0.000 2.414 1250 E HA 0.178 4.528 4.350 -0.001 0.000 0.263 1250 E C -2.125 174.480 176.600 0.008 0.000 1.000 1250 E CA -1.759 54.635 56.400 -0.009 0.000 0.914 1250 E CB 0.013 29.711 29.700 -0.003 0.000 0.948 1250 E HN 0.528 nan 8.360 nan 0.000 0.444 1251 P HA 0.003 nan 4.420 nan 0.000 0.266 1251 P C -0.520 176.776 177.300 -0.006 0.000 1.195 1251 P CA 0.045 63.157 63.100 0.020 0.000 0.768 1251 P CB 0.524 32.257 31.700 0.055 0.000 0.838 1252 V N 3.515 123.423 119.914 -0.010 0.000 2.513 1252 V HA 0.161 4.281 4.120 -0.001 0.000 0.299 1252 V C 0.067 176.079 176.094 -0.138 0.000 1.035 1252 V CA -0.486 61.788 62.300 -0.044 0.000 0.889 1252 V CB 1.631 33.468 31.823 0.023 0.000 0.988 1252 V HN 0.440 nan 8.190 nan 0.000 0.440 1253 D N 4.238 124.541 120.400 -0.161 0.000 2.470 1253 D HA 0.090 4.729 4.640 -0.001 0.000 0.226 1253 D C 0.911 177.030 176.300 -0.302 0.000 1.196 1253 D CA -0.115 53.775 54.000 -0.183 0.000 0.979 1253 D CB 1.318 42.045 40.800 -0.120 0.000 1.059 1253 D HN 0.349 nan 8.370 nan 0.000 0.515 1254 L N 1.775 122.685 121.223 -0.522 0.000 2.131 1254 L HA 0.026 4.365 4.340 -0.001 0.000 0.210 1254 L C -0.105 175.853 176.870 -1.520 0.000 1.092 1254 L CA 1.601 55.831 54.840 -1.016 0.000 0.759 1254 L CB -0.021 41.356 42.059 -1.136 0.000 0.903 1254 L HN 0.070 nan 8.230 nan 0.000 0.435 1255 F N -0.495 119.025 119.950 -0.717 0.000 2.577 1255 F HA 0.550 5.076 4.527 -0.001 0.000 0.318 1255 F C -0.018 175.425 175.800 -0.595 0.000 1.065 1255 F CA -0.902 56.464 58.000 -1.057 0.000 0.929 1255 F CB 1.470 39.653 39.000 -1.361 0.000 1.237 1255 F HN 0.070 nan 8.300 nan 0.000 0.468 1256 H N -1.090 117.851 119.070 -0.215 0.000 2.987 1256 H HA 0.344 4.899 4.556 -0.001 0.000 0.316 1256 H C -3.443 172.056 175.328 0.285 0.000 1.380 1256 H CA -2.378 53.698 56.048 0.047 0.000 1.160 1256 H CB 1.083 30.826 29.762 -0.032 0.000 1.865 1256 H HN 0.162 nan 8.280 nan 0.000 0.521 1257 P HA 0.082 nan 4.420 nan 0.000 0.262 1257 P C 1.068 178.563 177.300 0.325 0.000 1.182 1257 P CA 2.813 66.083 63.100 0.283 0.000 0.761 1257 P CB 0.320 32.127 31.700 0.179 0.000 0.795 1258 G N 2.717 111.659 108.800 0.236 0.000 2.258 1258 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.233 1258 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.233 1258 G C 0.096 175.104 174.900 0.179 0.000 1.006 1258 G CA -0.508 44.708 45.100 0.193 0.000 0.620 1258 G HN 0.525 nan 8.290 nan 0.000 0.511 1259 F N 2.819 122.767 119.950 -0.003 0.000 2.578 1259 F HA 0.497 5.023 4.527 -0.001 0.000 0.381 1259 F C 1.665 177.529 175.800 0.106 0.000 1.069 1259 F CA 0.646 58.591 58.000 -0.092 0.000 1.231 1259 F CB 0.175 38.870 39.000 -0.509 0.000 1.086 1259 F HN 0.364 nan 8.300 nan 0.000 0.564 1260 L N 5.028 125.932 121.223 -0.532 0.000 3.976 1260 L HA -0.458 3.882 4.340 -0.001 0.000 0.418 1260 L C 0.570 177.381 176.870 -0.098 0.000 1.177 1260 L CA 0.652 55.318 54.840 -0.291 0.000 0.968 1260 L CB -1.776 40.184 42.059 -0.166 0.000 1.933 1260 L HN 0.868 nan 8.230 nan 0.000 0.976 1261 N N -0.964 117.701 118.700 -0.058 0.000 2.725 1261 N HA -0.167 4.573 4.740 -0.001 0.000 0.249 1261 N C 0.197 175.681 175.510 -0.044 0.000 1.103 1261 N CA 1.475 54.506 53.050 -0.031 0.000 0.707 1261 N CB -0.669 37.791 38.487 -0.045 0.000 1.043 1261 N HN 0.575 nan 8.380 nan 0.000 0.553 1262 S N -0.592 115.090 115.700 -0.030 0.000 2.451 1262 S HA 0.453 4.922 4.470 -0.001 0.000 0.301 1262 S C 1.342 175.880 174.600 -0.103 0.000 1.116 1262 S CA 0.050 58.151 58.200 -0.164 0.000 1.093 1262 S CB 1.100 64.035 63.200 -0.442 0.000 1.017 1262 S HN 0.305 nan 8.310 nan 0.000 0.482 1263 S N 4.238 119.867 115.700 -0.118 0.000 2.428 1263 S HA 0.116 4.585 4.470 -0.001 0.000 0.230 1263 S C 0.583 175.155 174.600 -0.046 0.000 1.014 1263 S CA 0.267 58.442 58.200 -0.042 0.000 0.957 1263 S CB -0.329 62.851 63.200 -0.033 0.000 0.784 1263 S HN 0.736 nan 8.310 nan 0.000 0.499 1264 N N -0.694 117.890 118.700 -0.193 0.000 2.525 1264 N HA 0.517 5.257 4.740 -0.001 0.000 0.270 1264 N C -2.081 173.183 175.510 -0.409 0.000 1.321 1264 N CA -0.449 52.509 53.050 -0.153 0.000 0.797 1264 N CB 1.827 40.244 38.487 -0.117 0.000 1.529 1264 N HN 0.182 nan 8.380 nan 0.000 0.491 1265 Y N -0.077 120.181 120.300 -0.071 0.000 2.513 1265 Y HA 0.487 5.037 4.550 -0.001 0.000 0.340 1265 Y C -0.160 175.666 175.900 -0.124 0.000 1.055 1265 Y CA -0.693 57.337 58.100 -0.117 0.000 1.020 1265 Y CB 2.249 40.649 38.460 -0.101 0.000 1.301 1265 Y HN 0.217 nan 8.280 nan 0.000 0.453 1266 R N 2.163 122.663 120.500 -0.001 0.000 2.734 1266 R HA 0.608 4.947 4.340 -0.001 0.000 0.271 1266 R C -1.725 174.523 176.300 -0.087 0.000 1.021 1266 R CA -1.044 55.014 56.100 -0.070 0.000 0.893 1266 R CB 2.282 32.497 30.300 -0.141 0.000 1.244 1266 R HN 0.650 nan 8.270 nan 0.000 0.464 1267 I N -0.103 120.406 120.570 -0.103 0.000 6.472 1267 I HA -0.119 4.050 4.170 -0.001 0.000 0.126 1267 I C -2.508 173.620 176.117 0.019 0.000 1.826 1267 I CA -0.429 60.854 61.300 -0.029 0.000 2.037 1267 I CB -1.865 36.121 38.000 -0.024 0.000 3.494 1267 I HN 0.496 nan 8.210 nan 0.000 0.169 1268 P HA 0.544 nan 4.420 nan 0.000 0.278 1268 P C -0.369 176.983 177.300 0.087 0.000 1.238 1268 P CA -0.068 63.064 63.100 0.054 0.000 0.794 1268 P CB 2.100 33.843 31.700 0.070 0.000 0.955 1269 A N 2.841 125.718 122.820 0.094 0.000 2.449 1269 A HA 0.727 5.046 4.320 -0.001 0.000 0.302 1269 A C -1.650 176.048 177.584 0.190 0.000 1.048 1269 A CA -0.649 51.467 52.037 0.131 0.000 0.708 1269 A CB 1.254 20.317 19.000 0.105 0.000 1.274 1269 A HN 0.517 nan 8.150 nan 0.000 0.410 1270 L N 1.749 123.118 121.223 0.244 0.000 2.493 1270 L HA 0.883 5.223 4.340 -0.001 0.000 0.265 1270 L C -1.800 175.299 176.870 0.381 0.000 0.954 1270 L CA -0.344 54.678 54.840 0.304 0.000 0.844 1270 L CB 1.663 43.893 42.059 0.284 0.000 1.302 1270 L HN 0.769 nan 8.230 nan 0.000 0.405 1271 F N 4.069 124.141 119.950 0.203 0.000 2.615 1271 F HA 0.478 5.005 4.527 -0.001 0.000 0.312 1271 F C -1.230 174.670 175.800 0.166 0.000 1.119 1271 F CA -0.642 57.465 58.000 0.180 0.000 0.979 1271 F CB 1.525 40.637 39.000 0.186 0.000 1.266 1271 F HN 0.513 nan 8.300 nan 0.000 0.444 1272 K N 4.470 124.616 120.400 -0.423 0.000 2.240 1272 K HA 0.391 4.711 4.320 -0.001 0.000 0.271 1272 K C -0.202 176.183 176.600 -0.358 0.000 1.018 1272 K CA -0.362 55.776 56.287 -0.248 0.000 0.874 1272 K CB 1.198 33.586 32.500 -0.186 0.000 1.098 1272 K HN 0.805 nan 8.250 nan 0.000 0.458 1273 T N 0.635 115.198 114.554 0.015 0.000 2.788 1273 T HA 0.090 4.439 4.350 -0.001 0.000 0.287 1273 T C 1.248 175.972 174.700 0.040 0.000 1.007 1273 T CA -0.285 61.906 62.100 0.152 0.000 1.005 1273 T CB 0.989 69.971 68.868 0.189 0.000 1.012 1273 T HN 0.737 nan 8.240 nan 0.000 0.530 1274 K N 0.337 120.786 120.400 0.082 0.000 2.209 1274 K HA -0.102 4.218 4.320 -0.001 0.000 0.204 1274 K C 1.550 178.160 176.600 0.016 0.000 1.048 1274 K CA 1.275 57.586 56.287 0.039 0.000 0.940 1274 K CB -0.083 32.453 32.500 0.061 0.000 0.729 1274 K HN 0.558 nan 8.250 nan 0.000 0.451 1275 E N 0.250 120.461 120.200 0.019 0.000 2.482 1275 E HA -0.024 4.325 4.350 -0.001 0.000 0.196 1275 E C 1.068 177.661 176.600 -0.012 0.000 1.047 1275 E CA 0.933 57.334 56.400 0.001 0.000 0.869 1275 E CB 0.462 30.161 29.700 -0.001 0.000 0.836 1275 E HN 0.705 nan 8.360 nan 0.000 0.520 1276 G N 1.268 110.059 108.800 -0.015 0.000 2.179 1276 G HA2 -0.218 3.742 3.960 -0.001 0.000 0.220 1276 G HA3 -0.218 3.742 3.960 -0.001 0.000 0.220 1276 G C 0.449 175.324 174.900 -0.042 0.000 0.990 1276 G CA 0.309 45.389 45.100 -0.032 0.000 0.646 1276 G HN 0.219 nan 8.290 nan 0.000 0.517 1277 T N 1.870 116.412 114.554 -0.021 0.000 2.897 1277 T HA 0.558 4.908 4.350 -0.001 0.000 0.294 1277 T C 0.746 175.442 174.700 -0.007 0.000 1.004 1277 T CA -0.045 62.036 62.100 -0.032 0.000 1.106 1277 T CB 1.212 70.083 68.868 0.005 0.000 0.949 1277 T HN 0.314 nan 8.240 nan 0.000 0.520 1278 L N 4.090 125.266 121.223 -0.078 0.000 2.292 1278 L HA 0.475 4.815 4.340 -0.001 0.000 0.284 1278 L C -0.210 176.761 176.870 0.169 0.000 1.065 1278 L CA -0.865 53.987 54.840 0.019 0.000 0.806 1278 L CB 0.658 42.647 42.059 -0.117 0.000 1.175 1278 L HN 0.373 nan 8.230 nan 0.000 0.431 1279 I N 2.789 123.555 120.570 0.327 0.000 2.406 1279 I HA 0.515 4.685 4.170 -0.001 0.000 0.290 1279 I C 0.145 176.509 176.117 0.412 0.000 0.999 1279 I CA -0.457 61.083 61.300 0.400 0.000 1.124 1279 I CB 1.647 39.903 38.000 0.426 0.000 1.289 1279 I HN 0.592 nan 8.210 nan 0.000 0.441 1280 A N 5.248 128.308 122.820 0.400 0.000 2.318 1280 A HA 0.779 5.098 4.320 -0.001 0.000 0.317 1280 A C -0.043 177.710 177.584 0.281 0.000 1.159 1280 A CA -0.405 51.809 52.037 0.293 0.000 0.799 1280 A CB 1.130 20.193 19.000 0.104 0.000 1.194 1280 A HN 0.769 nan 8.150 nan 0.000 0.479 1281 S N 1.462 117.257 115.700 0.158 0.000 2.638 1281 S HA 0.918 5.387 4.470 -0.001 0.000 0.302 1281 S C -0.658 173.866 174.600 -0.126 0.000 1.096 1281 S CA -0.566 57.638 58.200 0.006 0.000 0.953 1281 S CB 1.492 64.666 63.200 -0.044 0.000 1.107 1281 S HN 1.428 nan 8.310 nan 0.000 0.503 1282 I N 0.075 120.484 120.570 -0.268 0.000 2.961 1282 I HA 0.400 4.570 4.170 -0.001 0.000 0.303 1282 I C -2.141 173.846 176.117 -0.217 0.000 1.505 1282 I CA -0.370 60.724 61.300 -0.344 0.000 0.964 1282 I CB 2.236 39.692 38.000 -0.906 0.000 1.348 1282 I HN 0.734 nan 8.210 nan 0.000 0.508 1283 D N 4.600 124.915 120.400 -0.141 0.000 2.295 1283 D HA 0.564 5.204 4.640 -0.001 0.000 0.248 1283 D C -0.324 175.869 176.300 -0.179 0.000 1.154 1283 D CA 0.145 54.072 54.000 -0.120 0.000 0.857 1283 D CB 1.459 42.205 40.800 -0.091 0.000 1.117 1283 D HN 0.623 nan 8.370 nan 0.000 0.468 1284 A N 4.338 127.008 122.820 -0.249 0.000 2.527 1284 A HA 0.227 4.547 4.320 -0.001 0.000 0.313 1284 A C 0.338 177.677 177.584 -0.407 0.000 1.410 1284 A CA -0.567 51.147 52.037 -0.539 0.000 1.060 1284 A CB -0.012 18.781 19.000 -0.346 0.000 1.137 1284 A HN 0.364 nan 8.150 nan 0.000 0.542 1285 R N 2.504 122.744 120.500 -0.433 0.000 2.205 1285 R HA 0.229 4.568 4.340 -0.001 0.000 0.342 1285 R C 0.247 176.366 176.300 -0.303 0.000 1.058 1285 R CA -0.652 55.283 56.100 -0.274 0.000 0.904 1285 R CB 0.913 31.098 30.300 -0.192 0.000 1.089 1285 R HN 0.587 nan 8.270 nan 0.000 0.471 1286 R N 1.029 121.321 120.500 -0.348 0.000 2.240 1286 R HA -0.006 4.333 4.340 -0.001 0.000 0.203 1286 R C 0.363 176.387 176.300 -0.461 0.000 1.011 1286 R CA 0.982 56.806 56.100 -0.460 0.000 1.007 1286 R CB 0.099 30.020 30.300 -0.631 0.000 0.911 1286 R HN 0.650 nan 8.270 nan 0.000 0.468 1287 H N -0.595 118.432 119.070 -0.071 0.000 2.505 1287 H HA 0.419 4.975 4.556 -0.001 0.000 0.260 1287 H C 0.430 175.726 175.328 -0.053 0.000 1.168 1287 H CA 0.029 56.045 56.048 -0.053 0.000 0.945 1287 H CB 0.806 30.544 29.762 -0.040 0.000 1.800 1287 H HN 0.330 nan 8.280 nan 0.000 0.586 1288 G N -0.445 108.360 108.800 0.008 0.000 2.434 1288 G HA2 -0.110 3.850 3.960 -0.001 0.000 0.671 1288 G HA3 -0.110 3.850 3.960 -0.001 0.000 0.671 1288 G C 0.744 175.618 174.900 -0.044 0.000 1.280 1288 G CA -0.465 44.629 45.100 -0.011 0.000 0.975 1288 G HN 0.312 nan 8.290 nan 0.000 0.510 1289 G N -0.107 108.667 108.800 -0.044 0.000 3.042 1289 G HA2 0.621 4.580 3.960 -0.001 0.000 0.212 1289 G HA3 0.621 4.580 3.960 -0.001 0.000 0.212 1289 G C 1.030 175.899 174.900 -0.052 0.000 1.166 1289 G CA 1.550 46.614 45.100 -0.060 0.000 0.767 1289 G HN 1.941 nan 8.290 nan 0.000 0.546 1290 A N 0.566 123.367 122.820 -0.031 0.000 2.448 1290 A HA 0.412 4.732 4.320 -0.001 0.000 0.239 1290 A C -0.079 177.493 177.584 -0.020 0.000 1.080 1290 A CA -0.210 51.814 52.037 -0.021 0.000 0.779 1290 A CB 0.322 19.317 19.000 -0.009 0.000 1.026 1290 A HN 0.215 nan 8.150 nan 0.000 0.499 1291 D N 0.416 120.808 120.400 -0.014 0.000 2.357 1291 D HA 0.439 5.079 4.640 -0.001 0.000 0.242 1291 D C 0.754 177.054 176.300 -0.000 0.000 1.153 1291 D CA 0.867 54.864 54.000 -0.006 0.000 0.918 1291 D CB 0.757 41.550 40.800 -0.012 0.000 1.181 1291 D HN 0.772 nan 8.370 nan 0.000 0.435 1292 A N 2.331 125.155 122.820 0.007 0.000 2.561 1292 A HA 0.160 4.480 4.320 -0.001 0.000 0.234 1292 A C -1.392 176.128 177.584 -0.107 0.000 1.055 1292 A CA -0.534 51.482 52.037 -0.035 0.000 0.756 1292 A CB -0.001 18.989 19.000 -0.018 0.000 0.986 1292 A HN 0.451 nan 8.150 nan 0.000 0.505 1293 P HA 0.031 nan 4.420 nan 0.000 0.255 1293 P C -0.156 177.123 177.300 -0.035 0.000 1.248 1293 P CA 0.185 63.231 63.100 -0.090 0.000 0.807 1293 P CB 0.148 31.763 31.700 -0.142 0.000 1.150 1294 N N 1.325 120.013 118.700 -0.020 0.000 2.802 1294 N HA 0.108 4.847 4.740 -0.001 0.000 0.288 1294 N C -0.008 175.517 175.510 0.026 0.000 1.268 1294 N CA 0.344 53.389 53.050 -0.009 0.000 1.035 1294 N CB -0.262 38.215 38.487 -0.016 0.000 1.353 1294 N HN 0.215 nan 8.380 nan 0.000 0.522 1295 N N 0.048 118.782 118.700 0.057 0.000 3.373 1295 N HA 0.118 4.857 4.740 -0.001 0.000 0.275 1295 N C -2.237 173.364 175.510 0.151 0.000 1.489 1295 N CA -0.343 52.778 53.050 0.117 0.000 0.872 1295 N CB 1.446 39.961 38.487 0.047 0.000 1.555 1295 N HN -0.071 nan 8.380 nan 0.000 0.500 1296 D N 1.301 121.777 120.400 0.126 0.000 2.476 1296 D HA 0.484 5.124 4.640 -0.001 0.000 0.251 1296 D C -1.002 175.263 176.300 -0.058 0.000 1.291 1296 D CA -0.112 53.923 54.000 0.058 0.000 0.939 1296 D CB 0.523 41.381 40.800 0.097 0.000 1.221 1296 D HN 0.439 nan 8.370 nan 0.000 0.567 1297 I N 2.640 123.212 120.570 0.004 0.000 2.465 1297 I HA 0.345 4.514 4.170 -0.001 0.000 0.291 1297 I C -0.239 175.877 176.117 -0.003 0.000 1.014 1297 I CA -0.819 60.460 61.300 -0.035 0.000 1.093 1297 I CB 2.012 40.009 38.000 -0.005 0.000 1.267 1297 I HN 0.092 nan 8.210 nan 0.000 0.431 1298 D N 3.325 123.687 120.400 -0.063 0.000 2.374 1298 D HA 0.414 5.053 4.640 -0.001 0.000 0.239 1298 D C -0.537 175.717 176.300 -0.077 0.000 0.991 1298 D CA -0.394 53.574 54.000 -0.055 0.000 0.960 1298 D CB 2.102 42.851 40.800 -0.084 0.000 1.284 1298 D HN 0.316 nan 8.370 nan 0.000 0.512 1299 T N 0.524 115.028 114.554 -0.083 0.000 2.767 1299 T HA 0.652 5.002 4.350 -0.001 0.000 0.288 1299 T C -0.185 174.446 174.700 -0.114 0.000 0.963 1299 T CA -0.510 61.522 62.100 -0.114 0.000 1.019 1299 T CB 1.135 69.916 68.868 -0.145 0.000 0.923 1299 T HN 0.414 nan 8.240 nan 0.000 0.468 1300 A N 2.986 125.745 122.820 -0.102 0.000 2.356 1300 A HA 0.884 5.204 4.320 -0.001 0.000 0.323 1300 A C -0.839 176.733 177.584 -0.020 0.000 1.119 1300 A CA -0.664 51.362 52.037 -0.017 0.000 0.790 1300 A CB 1.277 20.344 19.000 0.112 0.000 1.273 1300 A HN 0.660 nan 8.150 nan 0.000 0.452 1301 V N 1.608 121.598 119.914 0.127 0.000 2.760 1301 V HA 0.566 4.686 4.120 -0.001 0.000 0.309 1301 V C -0.279 176.032 176.094 0.362 0.000 1.077 1301 V CA -0.631 61.792 62.300 0.205 0.000 0.910 1301 V CB 1.953 33.836 31.823 0.099 0.000 1.008 1301 V HN 0.994 nan 8.190 nan 0.000 0.424 1302 R N 2.894 123.635 120.500 0.401 0.000 2.803 1302 R HA 0.788 5.127 4.340 -0.001 0.000 0.276 1302 R C -0.948 175.616 176.300 0.440 0.000 0.978 1302 R CA -0.969 55.338 56.100 0.345 0.000 0.939 1302 R CB 2.933 33.285 30.300 0.086 0.000 1.179 1302 R HN 0.628 nan 8.270 nan 0.000 0.472 1303 R N 0.106 120.846 120.500 0.400 0.000 2.740 1303 R HA 0.441 4.781 4.340 -0.001 0.000 0.282 1303 R C -0.956 175.361 176.300 0.028 0.000 0.969 1303 R CA -0.714 55.544 56.100 0.263 0.000 0.918 1303 R CB 2.380 32.777 30.300 0.161 0.000 1.175 1303 R HN 0.430 nan 8.270 nan 0.000 0.464 1304 S N 0.568 116.042 115.700 -0.378 0.000 2.647 1304 S HA 0.191 4.660 4.470 -0.001 0.000 0.300 1304 S C -0.118 174.248 174.600 -0.390 0.000 1.129 1304 S CA -0.652 57.134 58.200 -0.691 0.000 1.029 1304 S CB 1.262 63.485 63.200 -1.629 0.000 1.007 1304 S HN 0.697 nan 8.310 nan 0.000 0.484 1305 E N 2.088 122.133 120.200 -0.259 0.000 2.474 1305 E HA 0.046 4.396 4.350 -0.001 0.000 0.195 1305 E C -0.336 176.167 176.600 -0.162 0.000 1.039 1305 E CA 0.185 56.488 56.400 -0.163 0.000 0.881 1305 E CB 0.239 29.880 29.700 -0.099 0.000 0.970 1305 E HN 0.740 nan 8.360 nan 0.000 0.486 1306 D N -0.859 119.411 120.400 -0.217 0.000 2.696 1306 D HA 0.147 4.786 4.640 -0.001 0.000 0.269 1306 D C 0.886 177.083 176.300 -0.171 0.000 1.319 1306 D CA -0.259 53.643 54.000 -0.163 0.000 0.826 1306 D CB 0.324 41.043 40.800 -0.136 0.000 1.086 1306 D HN 0.070 nan 8.370 nan 0.000 0.481 1307 G N -0.417 108.265 108.800 -0.197 0.000 2.136 1307 G HA2 -0.017 3.943 3.960 -0.001 0.000 0.242 1307 G HA3 -0.017 3.943 3.960 -0.001 0.000 0.242 1307 G C 1.146 175.953 174.900 -0.154 0.000 0.989 1307 G CA 0.290 45.311 45.100 -0.132 0.000 0.682 1307 G HN 1.452 nan 8.290 nan 0.000 0.522 1308 G N -1.008 107.544 108.800 -0.415 0.000 2.175 1308 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.244 1308 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.244 1308 G C 1.109 175.890 174.900 -0.198 0.000 0.982 1308 G CA 1.271 46.082 45.100 -0.481 0.000 0.641 1308 G HN 0.911 nan 8.290 nan 0.000 0.527 1309 K N 0.044 120.334 120.400 -0.184 0.000 2.103 1309 K HA 0.123 4.443 4.320 -0.001 0.000 0.204 1309 K C 1.352 177.916 176.600 -0.060 0.000 1.052 1309 K CA 1.572 57.830 56.287 -0.049 0.000 0.945 1309 K CB -0.028 32.444 32.500 -0.047 0.000 0.722 1309 K HN 0.696 nan 8.250 nan 0.000 0.443 1310 T N -2.359 112.058 114.554 -0.229 0.000 2.903 1310 T HA 0.505 4.855 4.350 -0.001 0.000 0.299 1310 T C -1.471 173.014 174.700 -0.359 0.000 1.093 1310 T CA -1.001 61.023 62.100 -0.128 0.000 1.002 1310 T CB 1.301 70.134 68.868 -0.058 0.000 1.127 1310 T HN 0.122 nan 8.240 nan 0.000 0.488 1311 W N 1.258 122.507 121.300 -0.085 0.000 2.864 1311 W HA 0.521 5.180 4.660 -0.001 0.000 0.343 1311 W C -0.051 176.446 176.519 -0.037 0.000 1.109 1311 W CA -0.525 56.760 57.345 -0.099 0.000 1.192 1311 W CB 1.380 30.721 29.460 -0.199 0.000 1.426 1311 W HN 0.952 nan 8.180 nan 0.000 0.529 1312 D N 0.034 120.574 120.400 0.232 0.000 2.414 1312 D HA 0.032 4.672 4.640 -0.001 0.000 0.259 1312 D C 0.737 177.180 176.300 0.238 0.000 1.269 1312 D CA -0.010 54.099 54.000 0.181 0.000 1.028 1312 D CB 0.600 41.490 40.800 0.149 0.000 1.093 1312 D HN 0.285 nan 8.370 nan 0.000 0.545 1313 E N -1.005 119.312 120.200 0.195 0.000 2.511 1313 E HA 0.237 4.587 4.350 -0.001 0.000 0.196 1313 E C 0.871 177.605 176.600 0.224 0.000 1.066 1313 E CA 0.743 57.261 56.400 0.198 0.000 0.871 1313 E CB -0.716 29.032 29.700 0.080 0.000 0.863 1313 E HN 0.700 nan 8.360 nan 0.000 0.520 1314 G N 1.703 110.679 108.800 0.292 0.000 2.758 1314 G HA2 -0.163 3.797 3.960 -0.001 0.000 0.686 1314 G HA3 -0.163 3.797 3.960 -0.001 0.000 0.686 1314 G C -0.604 174.397 174.900 0.168 0.000 1.389 1314 G CA -0.192 45.104 45.100 0.328 0.000 0.845 1314 G HN 0.220 nan 8.290 nan 0.000 0.572 1315 Q N -0.763 119.142 119.800 0.175 0.000 2.435 1315 Q HA 0.709 5.048 4.340 -0.001 0.000 0.282 1315 Q C -0.913 175.127 176.000 0.068 0.000 1.020 1315 Q CA -1.330 54.530 55.803 0.095 0.000 0.820 1315 Q CB 1.773 30.581 28.738 0.116 0.000 1.436 1315 Q HN 0.654 nan 8.270 nan 0.000 0.395 1316 I N 3.333 123.911 120.570 0.013 0.000 2.342 1316 I HA 0.191 4.360 4.170 -0.001 0.000 0.291 1316 I C 0.992 177.073 176.117 -0.061 0.000 1.010 1316 I CA -0.466 60.815 61.300 -0.031 0.000 1.308 1316 I CB 0.940 38.912 38.000 -0.047 0.000 1.400 1316 I HN 0.888 nan 8.210 nan 0.000 0.488 1317 I N 2.665 123.161 120.570 -0.123 0.000 4.181 1317 I HA 0.369 4.539 4.170 -0.001 0.000 0.331 1317 I C 0.225 176.238 176.117 -0.173 0.000 1.312 1317 I CA 0.304 61.508 61.300 -0.159 0.000 1.146 1317 I CB 0.519 38.309 38.000 -0.351 0.000 1.074 1317 I HN 0.352 nan 8.210 nan 0.000 0.402 1318 M N 1.811 121.304 119.600 -0.177 0.000 2.322 1318 M HA 0.414 4.894 4.480 -0.001 0.000 0.286 1318 M C -2.023 174.158 176.300 -0.198 0.000 1.111 1318 M CA -0.393 54.774 55.300 -0.221 0.000 0.941 1318 M CB 2.616 35.121 32.600 -0.158 0.000 1.671 1318 M HN -0.011 nan 8.290 nan 0.000 0.470 1319 D N 2.900 123.111 120.400 -0.315 0.000 2.470 1319 D HA 0.310 4.949 4.640 -0.001 0.000 0.233 1319 D C -1.996 174.133 176.300 -0.284 0.000 1.372 1319 D CA -0.074 53.810 54.000 -0.194 0.000 0.994 1319 D CB 0.946 41.666 40.800 -0.134 0.000 1.377 1319 D HN 0.368 nan 8.370 nan 0.000 0.586 1320 Y N 2.770 123.048 120.300 -0.036 0.000 2.403 1320 Y HA 0.532 5.081 4.550 -0.001 0.000 0.323 1320 Y C -1.512 174.404 175.900 0.027 0.000 1.226 1320 Y CA -1.519 56.582 58.100 0.002 0.000 1.235 1320 Y CB 1.257 39.754 38.460 0.062 0.000 1.248 1320 Y HN 0.214 nan 8.280 nan 0.000 0.489 1321 P HA 0.060 nan 4.420 nan 0.000 0.278 1321 P C -0.581 176.795 177.300 0.126 0.000 1.258 1321 P CA -0.201 62.968 63.100 0.115 0.000 0.811 1321 P CB 0.922 32.666 31.700 0.074 0.000 1.063 1322 D N 0.568 121.024 120.400 0.094 0.000 2.723 1322 D HA -0.194 4.446 4.640 -0.001 0.000 0.236 1322 D C -0.171 176.186 176.300 0.094 0.000 1.138 1322 D CA 1.232 55.280 54.000 0.080 0.000 0.676 1322 D CB -1.588 39.247 40.800 0.059 0.000 1.069 1322 D HN 0.627 nan 8.370 nan 0.000 0.430 1323 K N -2.206 118.266 120.400 0.119 0.000 3.391 1323 K HA -0.228 4.091 4.320 -0.001 0.000 0.307 1323 K C -0.075 176.604 176.600 0.132 0.000 1.304 1323 K CA 0.936 57.295 56.287 0.120 0.000 0.904 1323 K CB -1.914 30.636 32.500 0.082 0.000 1.293 1323 K HN 0.373 nan 8.250 nan 0.000 0.470 1324 S N 0.799 116.597 115.700 0.164 0.000 2.523 1324 S HA 0.419 4.889 4.470 -0.001 0.000 0.275 1324 S C -0.175 174.575 174.600 0.251 0.000 1.281 1324 S CA -0.328 57.992 58.200 0.200 0.000 1.050 1324 S CB 1.085 64.415 63.200 0.215 0.000 0.937 1324 S HN 0.244 nan 8.310 nan 0.000 0.492 1325 S N 2.561 118.426 115.700 0.276 0.000 2.536 1325 S HA 0.651 5.120 4.470 -0.001 0.000 0.298 1325 S C -0.762 174.042 174.600 0.339 0.000 1.083 1325 S CA -0.774 57.590 58.200 0.272 0.000 0.995 1325 S CB 1.677 65.011 63.200 0.223 0.000 1.058 1325 S HN 0.849 nan 8.310 nan 0.000 0.488 1326 V N 1.931 121.993 119.914 0.247 0.000 2.417 1326 V HA 0.784 4.903 4.120 -0.001 0.000 0.291 1326 V C -0.373 175.798 176.094 0.128 0.000 1.024 1326 V CA -0.757 61.654 62.300 0.184 0.000 0.861 1326 V CB 0.916 32.817 31.823 0.130 0.000 0.985 1326 V HN 0.820 nan 8.190 nan 0.000 0.436 1327 I N 0.194 120.847 120.570 0.138 0.000 2.686 1327 I HA 0.726 4.896 4.170 -0.001 0.000 0.295 1327 I C -1.257 174.927 176.117 0.112 0.000 1.114 1327 I CA -0.490 60.884 61.300 0.124 0.000 1.038 1327 I CB 2.379 40.487 38.000 0.180 0.000 1.238 1327 I HN 0.718 nan 8.210 nan 0.000 0.420 1328 D N 2.801 123.254 120.400 0.087 0.000 3.975 1328 D HA -0.108 4.531 4.640 -0.001 0.000 0.251 1328 D C 0.053 176.394 176.300 0.068 0.000 1.046 1328 D CA 1.152 55.218 54.000 0.110 0.000 1.135 1328 D CB -0.695 40.219 40.800 0.191 0.000 0.911 1328 D HN 1.035 nan 8.370 nan 0.000 0.415 1329 T N -1.407 113.169 114.554 0.036 0.000 2.918 1329 T HA 0.723 5.072 4.350 -0.001 0.000 0.283 1329 T C 0.322 175.041 174.700 0.032 0.000 1.001 1329 T CA -0.456 61.648 62.100 0.006 0.000 1.041 1329 T CB 2.643 71.488 68.868 -0.039 0.000 1.028 1329 T HN 0.265 nan 8.240 nan 0.000 0.511 1330 T N 1.109 115.674 114.554 0.019 0.000 2.956 1330 T HA 0.597 4.947 4.350 -0.001 0.000 0.312 1330 T C -1.503 173.212 174.700 0.025 0.000 1.151 1330 T CA -0.783 61.342 62.100 0.040 0.000 1.024 1330 T CB 0.858 69.754 68.868 0.046 0.000 1.140 1330 T HN 0.656 nan 8.240 nan 0.000 0.473 1331 L N 4.688 125.921 121.223 0.017 0.000 2.346 1331 L HA 0.826 5.165 4.340 -0.001 0.000 0.274 1331 L C -1.136 175.546 176.870 -0.312 0.000 1.007 1331 L CA -0.874 53.900 54.840 -0.109 0.000 0.818 1331 L CB 1.784 43.793 42.059 -0.084 0.000 1.284 1331 L HN 0.599 nan 8.230 nan 0.000 0.424 1332 I N 1.053 121.386 120.570 -0.396 0.000 3.066 1332 I HA 0.480 4.649 4.170 -0.001 0.000 0.307 1332 I C -0.887 175.114 176.117 -0.194 0.000 1.366 1332 I CA -0.520 60.556 61.300 -0.374 0.000 0.972 1332 I CB 2.016 40.071 38.000 0.091 0.000 1.307 1332 I HN 0.515 nan 8.210 nan 0.000 0.470 1333 Q N 1.165 121.008 119.800 0.072 0.000 2.397 1333 Q HA 0.480 4.819 4.340 -0.001 0.000 0.275 1333 Q C -1.870 174.329 176.000 0.331 0.000 1.090 1333 Q CA -0.712 55.243 55.803 0.253 0.000 0.809 1333 Q CB 2.319 31.263 28.738 0.343 0.000 1.362 1333 Q HN 0.666 nan 8.270 nan 0.000 0.431 1334 D N 2.087 122.687 120.400 0.334 0.000 2.380 1334 D HA 0.125 4.765 4.640 -0.001 0.000 0.230 1334 D C -0.359 176.038 176.300 0.161 0.000 1.154 1334 D CA 0.009 54.165 54.000 0.260 0.000 0.859 1334 D CB 1.219 42.205 40.800 0.310 0.000 1.045 1334 D HN 0.535 nan 8.370 nan 0.000 0.495 1335 D N 2.082 122.568 120.400 0.144 0.000 2.264 1335 D HA -0.159 4.480 4.640 -0.001 0.000 0.208 1335 D C 1.781 178.123 176.300 0.071 0.000 0.966 1335 D CA 0.862 54.926 54.000 0.106 0.000 0.864 1335 D CB 0.237 41.096 40.800 0.098 0.000 0.933 1335 D HN 0.716 nan 8.370 nan 0.000 0.499 1336 E N 0.274 120.513 120.200 0.066 0.000 2.107 1336 E HA -0.144 4.206 4.350 -0.001 0.000 0.191 1336 E C 1.572 178.192 176.600 0.033 0.000 0.982 1336 E CA 1.525 57.950 56.400 0.042 0.000 0.809 1336 E CB -0.316 29.405 29.700 0.036 0.000 0.756 1336 E HN 0.346 nan 8.360 nan 0.000 0.459 1337 T N -3.777 110.801 114.554 0.039 0.000 3.022 1337 T HA 0.359 4.709 4.350 -0.001 0.000 0.250 1337 T C 1.542 176.241 174.700 -0.001 0.000 1.060 1337 T CA 0.363 62.472 62.100 0.015 0.000 1.013 1337 T CB 0.560 69.436 68.868 0.013 0.000 0.982 1337 T HN 0.414 nan 8.240 nan 0.000 0.508 1338 G N 1.943 110.752 108.800 0.014 0.000 2.153 1338 G HA2 -0.311 3.649 3.960 -0.001 0.000 0.252 1338 G HA3 -0.311 3.649 3.960 -0.001 0.000 0.252 1338 G C 0.050 174.920 174.900 -0.051 0.000 0.994 1338 G CA 0.217 45.317 45.100 0.001 0.000 0.698 1338 G HN 0.866 nan 8.290 nan 0.000 0.521 1339 R N 0.041 120.484 120.500 -0.094 0.000 2.308 1339 R HA 0.612 4.951 4.340 -0.001 0.000 0.305 1339 R C 0.386 176.464 176.300 -0.370 0.000 1.053 1339 R CA -0.652 55.285 56.100 -0.272 0.000 0.957 1339 R CB 0.240 30.301 30.300 -0.398 0.000 1.022 1339 R HN 0.264 nan 8.270 nan 0.000 0.461 1340 I N 5.081 125.433 120.570 -0.362 0.000 2.385 1340 I HA 0.283 4.452 4.170 -0.001 0.000 0.294 1340 I C -0.658 175.283 176.117 -0.294 0.000 0.988 1340 I CA -0.556 60.606 61.300 -0.230 0.000 1.265 1340 I CB 1.051 38.994 38.000 -0.095 0.000 1.388 1340 I HN 0.464 nan 8.210 nan 0.000 0.480 1341 F N 6.054 126.127 119.950 0.204 0.000 2.480 1341 F HA 0.624 5.151 4.527 -0.001 0.000 0.329 1341 F C -0.239 175.693 175.800 0.222 0.000 1.091 1341 F CA -0.721 57.448 58.000 0.282 0.000 0.972 1341 F CB 1.649 40.792 39.000 0.238 0.000 1.150 1341 F HN 0.247 nan 8.300 nan 0.000 0.467 1342 L N 4.373 125.828 121.223 0.386 0.000 2.381 1342 L HA 0.726 5.066 4.340 -0.001 0.000 0.274 1342 L C -1.824 175.085 176.870 0.065 0.000 0.988 1342 L CA -0.648 54.257 54.840 0.108 0.000 0.824 1342 L CB 1.333 43.283 42.059 -0.182 0.000 1.263 1342 L HN 0.541 nan 8.230 nan 0.000 0.410 1343 L N 5.336 126.561 121.223 0.003 0.000 2.333 1343 L HA 0.851 5.191 4.340 -0.001 0.000 0.269 1343 L C -0.694 176.143 176.870 -0.056 0.000 1.010 1343 L CA -0.600 54.205 54.840 -0.059 0.000 0.818 1343 L CB 2.161 44.127 42.059 -0.154 0.000 1.306 1343 L HN 0.349 nan 8.230 nan 0.000 0.430 1344 V N -1.148 118.730 119.914 -0.060 0.000 3.178 1344 V HA 0.515 4.635 4.120 -0.001 0.000 0.302 1344 V C -0.615 175.454 176.094 -0.043 0.000 1.262 1344 V CA -0.822 61.459 62.300 -0.032 0.000 1.030 1344 V CB 2.423 34.236 31.823 -0.016 0.000 1.074 1344 V HN 0.735 nan 8.190 nan 0.000 0.438 1345 T N 2.045 116.583 114.554 -0.026 0.000 2.845 1345 T HA 0.444 4.793 4.350 -0.001 0.000 0.288 1345 T C -0.612 174.060 174.700 -0.047 0.000 0.980 1345 T CA -0.098 61.939 62.100 -0.105 0.000 1.071 1345 T CB 0.266 69.078 68.868 -0.094 0.000 0.941 1345 T HN 0.791 nan 8.240 nan 0.000 0.487 1346 H N 2.021 120.926 119.070 -0.275 0.000 2.589 1346 H HA 0.526 5.082 4.556 -0.001 0.000 0.351 1346 H C -1.594 173.541 175.328 -0.322 0.000 1.074 1346 H CA -0.985 54.935 56.048 -0.213 0.000 1.203 1346 H CB 0.833 30.483 29.762 -0.185 0.000 1.558 1346 H HN 0.442 nan 8.280 nan 0.000 0.522 1347 F N 4.421 124.273 119.950 -0.163 0.000 2.532 1347 F HA 0.349 4.876 4.527 -0.001 0.000 0.321 1347 F C -2.128 173.479 175.800 -0.321 0.000 1.089 1347 F CA -2.330 55.565 58.000 -0.175 0.000 0.926 1347 F CB 1.729 40.763 39.000 0.056 0.000 1.168 1347 F HN 0.480 nan 8.300 nan 0.000 0.459 1348 P HA 0.001 nan 4.420 nan 0.000 0.271 1348 P C -0.337 177.100 177.300 0.228 0.000 1.233 1348 P CA -0.234 62.894 63.100 0.047 0.000 0.789 1348 P CB 0.572 32.312 31.700 0.066 0.000 0.951 1349 S N 1.372 117.177 115.700 0.175 0.000 2.558 1349 S HA -0.051 4.419 4.470 -0.001 0.000 0.293 1349 S C 0.536 175.223 174.600 0.145 0.000 1.292 1349 S CA 0.641 58.927 58.200 0.144 0.000 1.063 1349 S CB -0.875 62.386 63.200 0.101 0.000 0.831 1349 S HN 0.500 nan 8.310 nan 0.000 0.499 1350 K N 0.984 121.374 120.400 -0.017 0.000 3.548 1350 K HA -0.186 4.134 4.320 -0.001 0.000 0.296 1350 K C -0.903 175.360 176.600 -0.562 0.000 1.324 1350 K CA 1.146 57.271 56.287 -0.271 0.000 0.976 1350 K CB -1.645 30.622 32.500 -0.388 0.000 1.294 1350 K HN 0.636 nan 8.250 nan 0.000 0.464 1351 Y N 0.166 120.435 120.300 -0.052 0.000 2.487 1351 Y HA 0.675 5.224 4.550 -0.001 0.000 0.337 1351 Y C 1.062 176.645 175.900 -0.528 0.000 1.076 1351 Y CA 0.073 58.091 58.100 -0.137 0.000 1.115 1351 Y CB 2.446 40.934 38.460 0.048 0.000 1.235 1351 Y HN 0.119 nan 8.280 nan 0.000 0.468 1352 G N 0.244 108.682 108.800 -0.602 0.000 2.731 1352 G HA2 0.144 4.104 3.960 -0.001 0.000 0.309 1352 G HA3 0.144 4.104 3.960 -0.001 0.000 0.309 1352 G C -0.399 174.156 174.900 -0.574 0.000 1.273 1352 G CA -0.694 43.661 45.100 -1.242 0.000 0.798 1352 G HN 0.565 nan 8.290 nan 0.000 0.509 1353 F N -0.225 119.417 119.950 -0.514 0.000 2.091 1353 F HA -0.094 4.433 4.527 -0.001 0.000 0.299 1353 F C 2.087 177.709 175.800 -0.297 0.000 1.103 1353 F CA 2.346 60.074 58.000 -0.454 0.000 1.228 1353 F CB -0.048 38.414 39.000 -0.897 0.000 0.984 1353 F HN 0.450 nan 8.300 nan 0.000 0.477 1354 W N 0.376 121.710 121.300 0.057 0.000 2.476 1354 W HA -0.067 4.592 4.660 -0.001 0.000 0.281 1354 W C 1.725 178.220 176.519 -0.040 0.000 1.230 1354 W CA 0.800 58.154 57.345 0.014 0.000 1.287 1354 W CB -0.531 28.977 29.460 0.080 0.000 1.108 1354 W HN 0.186 nan 8.180 nan 0.000 0.567 1355 N N 0.152 118.960 118.700 0.180 0.000 2.234 1355 N HA 0.225 4.964 4.740 -0.001 0.000 0.227 1355 N C 0.017 175.660 175.510 0.221 0.000 1.151 1355 N CA -0.001 53.143 53.050 0.157 0.000 0.865 1355 N CB -0.726 37.814 38.487 0.089 0.000 1.066 1355 N HN -0.130 nan 8.380 nan 0.000 0.515 1356 A N 0.330 123.247 122.820 0.161 0.000 2.511 1356 A HA 0.543 4.863 4.320 -0.001 0.000 0.242 1356 A C 0.956 178.574 177.584 0.056 0.000 1.069 1356 A CA 0.108 52.246 52.037 0.167 0.000 0.763 1356 A CB -0.365 18.752 19.000 0.196 0.000 1.001 1356 A HN 0.388 nan 8.150 nan 0.000 0.498 1357 G N 0.869 109.656 108.800 -0.022 0.000 2.539 1357 G HA2 0.463 4.423 3.960 -0.001 0.000 0.258 1357 G HA3 0.463 4.423 3.960 -0.001 0.000 0.258 1357 G C 0.038 174.890 174.900 -0.081 0.000 1.202 1357 G CA -0.816 44.247 45.100 -0.062 0.000 0.851 1357 G HN 0.769 nan 8.290 nan 0.000 0.556 1358 L N 1.231 122.420 121.223 -0.057 0.000 2.456 1358 L HA 0.435 4.775 4.340 -0.001 0.000 0.272 1358 L C 1.290 178.107 176.870 -0.089 0.000 1.189 1358 L CA 1.236 56.041 54.840 -0.059 0.000 0.846 1358 L CB 0.208 42.261 42.059 -0.011 0.000 1.111 1358 L HN 1.114 nan 8.230 nan 0.000 0.475 1359 G N 1.750 110.472 108.800 -0.131 0.000 2.698 1359 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.225 1359 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.225 1359 G C 0.478 175.292 174.900 -0.145 0.000 1.345 1359 G CA -0.080 44.940 45.100 -0.134 0.000 0.871 1359 G HN 0.830 nan 8.290 nan 0.000 0.540 1360 S N -0.998 114.668 115.700 -0.056 0.000 2.496 1360 S HA 0.369 4.838 4.470 -0.001 0.000 0.224 1360 S C 2.446 177.184 174.600 0.230 0.000 0.996 1360 S CA 1.509 59.734 58.200 0.042 0.000 0.927 1360 S CB 0.138 63.413 63.200 0.125 0.000 0.774 1360 S HN 2.903 nan 8.310 nan 0.000 0.524 1361 G N 0.155 109.059 108.800 0.174 0.000 2.162 1361 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.260 1361 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.260 1361 G C -0.130 174.857 174.900 0.145 0.000 0.976 1361 G CA 0.387 45.615 45.100 0.213 0.000 0.655 1361 G HN 0.498 nan 8.290 nan 0.000 0.533 1362 F N -0.002 120.029 119.950 0.136 0.000 2.523 1362 F HA 0.774 5.300 4.527 -0.001 0.000 0.329 1362 F C 0.445 176.296 175.800 0.086 0.000 1.061 1362 F CA -0.939 57.130 58.000 0.114 0.000 0.967 1362 F CB 1.990 41.058 39.000 0.114 0.000 1.218 1362 F HN 0.024 nan 8.300 nan 0.000 0.480 1363 K N 1.412 121.966 120.400 0.257 0.000 2.378 1363 K HA 0.375 4.694 4.320 -0.001 0.000 0.252 1363 K C -1.297 175.390 176.600 0.144 0.000 0.931 1363 K CA -0.855 55.534 56.287 0.169 0.000 0.794 1363 K CB 1.534 34.112 32.500 0.130 0.000 1.181 1363 K HN 0.647 nan 8.250 nan 0.000 0.425 1364 N N 4.668 123.422 118.700 0.090 0.000 2.411 1364 N HA 0.165 4.904 4.740 -0.001 0.000 0.259 1364 N C -1.034 174.519 175.510 0.070 0.000 1.103 1364 N CA -0.259 52.813 53.050 0.037 0.000 0.954 1364 N CB 0.473 38.975 38.487 0.025 0.000 1.085 1364 N HN 0.433 nan 8.380 nan 0.000 0.485 1365 I N 2.761 123.393 120.570 0.104 0.000 2.382 1365 I HA 0.215 4.385 4.170 -0.001 0.000 0.285 1365 I C -0.242 175.940 176.117 0.107 0.000 1.007 1365 I CA -0.363 61.025 61.300 0.147 0.000 1.142 1365 I CB 1.000 39.156 38.000 0.259 0.000 1.289 1365 I HN 0.615 nan 8.210 nan 0.000 0.453 1366 D N 5.478 125.909 120.400 0.052 0.000 2.751 1366 D HA -0.191 4.448 4.640 -0.001 0.000 0.233 1366 D C 1.214 177.522 176.300 0.012 0.000 1.149 1366 D CA 1.691 55.709 54.000 0.031 0.000 0.682 1366 D CB -0.932 39.889 40.800 0.035 0.000 1.068 1366 D HN 1.137 nan 8.370 nan 0.000 0.429 1367 G N -0.761 108.033 108.800 -0.011 0.000 2.159 1367 G HA2 -0.319 3.641 3.960 -0.001 0.000 0.227 1367 G HA3 -0.319 3.641 3.960 -0.001 0.000 0.227 1367 G C 0.213 175.061 174.900 -0.086 0.000 0.986 1367 G CA 0.442 45.522 45.100 -0.032 0.000 0.651 1367 G HN 0.650 nan 8.290 nan 0.000 0.523 1368 K N 0.409 120.704 120.400 -0.176 0.000 2.426 1368 K HA 0.553 4.872 4.320 -0.001 0.000 0.251 1368 K C -0.717 175.524 176.600 -0.597 0.000 0.941 1368 K CA -0.886 55.164 56.287 -0.396 0.000 0.808 1368 K CB 1.268 33.462 32.500 -0.511 0.000 1.265 1368 K HN -0.002 nan 8.250 nan 0.000 0.432 1369 E N 2.610 122.497 120.200 -0.522 0.000 2.259 1369 E HA 0.191 4.540 4.350 -0.001 0.000 0.281 1369 E C -1.151 175.211 176.600 -0.397 0.000 1.027 1369 E CA -0.192 56.011 56.400 -0.329 0.000 0.838 1369 E CB 0.851 30.463 29.700 -0.146 0.000 1.066 1369 E HN 0.378 nan 8.360 nan 0.000 0.401 1370 Y N 0.648 121.074 120.300 0.210 0.000 2.442 1370 Y HA 0.236 4.786 4.550 -0.001 0.000 0.344 1370 Y C 0.088 175.970 175.900 -0.030 0.000 0.976 1370 Y CA -1.113 57.058 58.100 0.118 0.000 1.040 1370 Y CB 1.281 39.742 38.460 0.001 0.000 1.228 1370 Y HN 0.375 nan 8.280 nan 0.000 0.451 1371 L N 2.972 124.059 121.223 -0.227 0.000 2.490 1371 L HA 0.259 4.599 4.340 -0.001 0.000 0.274 1371 L C -0.485 176.217 176.870 -0.279 0.000 1.201 1371 L CA 0.150 54.552 54.840 -0.731 0.000 0.869 1371 L CB -0.050 41.610 42.059 -0.664 0.000 1.123 1371 L HN 0.784 nan 8.230 nan 0.000 0.484 1372 C N 5.538 124.694 119.300 -0.239 0.000 2.466 1372 C HA 0.555 5.014 4.460 -0.001 0.000 0.379 1372 C C 0.268 175.101 174.990 -0.262 0.000 1.251 1372 C CA -0.786 58.107 59.018 -0.208 0.000 2.263 1372 C CB 0.165 27.821 27.740 -0.141 0.000 2.511 1372 C HN 0.702 nan 8.230 nan 0.000 0.573 1373 L N 1.833 122.833 121.223 -0.372 0.000 2.333 1373 L HA 0.620 4.960 4.340 -0.001 0.000 0.263 1373 L C -1.217 175.321 176.870 -0.554 0.000 1.014 1373 L CA -0.655 53.997 54.840 -0.314 0.000 0.820 1373 L CB 1.354 43.272 42.059 -0.234 0.000 1.352 1373 L HN 0.590 nan 8.230 nan 0.000 0.421 1374 Y N -0.494 119.819 120.300 0.021 0.000 2.477 1374 Y HA 0.342 4.891 4.550 -0.001 0.000 0.347 1374 Y C -0.210 175.693 175.900 0.004 0.000 0.981 1374 Y CA -1.133 57.021 58.100 0.089 0.000 1.033 1374 Y CB 1.773 40.261 38.460 0.045 0.000 1.245 1374 Y HN 0.613 nan 8.280 nan 0.000 0.455 1375 D N -0.848 119.675 120.400 0.205 0.000 2.506 1375 D HA 0.148 4.788 4.640 -0.001 0.000 0.272 1375 D C 1.077 177.442 176.300 0.108 0.000 1.214 1375 D CA -0.264 53.782 54.000 0.076 0.000 1.067 1375 D CB 0.568 41.433 40.800 0.108 0.000 1.117 1375 D HN 0.433 nan 8.370 nan 0.000 0.578 1376 S N -0.867 114.869 115.700 0.060 0.000 2.419 1376 S HA -0.199 4.270 4.470 -0.001 0.000 0.235 1376 S C 1.667 176.309 174.600 0.069 0.000 1.019 1376 S CA 1.235 59.468 58.200 0.054 0.000 0.982 1376 S CB -0.944 62.276 63.200 0.033 0.000 0.789 1376 S HN 0.595 nan 8.310 nan 0.000 0.490 1377 S N -0.020 115.734 115.700 0.090 0.000 2.575 1377 S HA 0.513 4.982 4.470 -0.001 0.000 0.215 1377 S C 1.485 176.145 174.600 0.099 0.000 0.966 1377 S CA 0.307 58.556 58.200 0.081 0.000 0.911 1377 S CB -0.246 63.000 63.200 0.077 0.000 0.780 1377 S HN 1.421 nan 8.310 nan 0.000 0.514 1378 G N 1.164 110.049 108.800 0.143 0.000 2.175 1378 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.244 1378 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.244 1378 G C -0.055 174.996 174.900 0.252 0.000 0.982 1378 G CA -0.060 45.150 45.100 0.183 0.000 0.641 1378 G HN 0.564 nan 8.290 nan 0.000 0.527 1379 K N 0.709 121.236 120.400 0.212 0.000 2.382 1379 K HA 0.344 4.663 4.320 -0.001 0.000 0.275 1379 K C 0.266 176.960 176.600 0.156 0.000 1.009 1379 K CA 0.102 56.466 56.287 0.129 0.000 0.970 1379 K CB 0.862 33.388 32.500 0.044 0.000 0.934 1379 K HN 0.423 nan 8.250 nan 0.000 0.479 1380 E N 2.727 122.883 120.200 -0.074 0.000 2.166 1380 E HA 0.274 4.624 4.350 -0.001 0.000 0.275 1380 E C -1.261 175.126 176.600 -0.355 0.000 0.941 1380 E CA -0.575 55.693 56.400 -0.220 0.000 0.784 1380 E CB 0.635 30.270 29.700 -0.108 0.000 1.115 1380 E HN 0.228 nan 8.360 nan 0.000 0.399 1381 F N 0.994 120.759 119.950 -0.308 0.000 2.598 1381 F HA 0.460 4.987 4.527 -0.001 0.000 0.327 1381 F C 0.373 176.058 175.800 -0.192 0.000 1.057 1381 F CA -0.632 57.258 58.000 -0.183 0.000 0.957 1381 F CB 2.138 41.041 39.000 -0.162 0.000 1.278 1381 F HN 0.339 nan 8.300 nan 0.000 0.484 1382 T N -1.514 113.093 114.554 0.089 0.000 2.893 1382 T HA 0.741 5.091 4.350 -0.001 0.000 0.291 1382 T C -1.242 173.475 174.700 0.029 0.000 1.028 1382 T CA -0.848 61.260 62.100 0.012 0.000 0.995 1382 T CB 1.503 70.353 68.868 -0.030 0.000 1.051 1382 T HN 0.339 nan 8.240 nan 0.000 0.470 1383 V N 2.984 122.895 119.914 -0.005 0.000 2.350 1383 V HA 0.483 4.603 4.120 -0.001 0.000 0.276 1383 V C 0.142 176.219 176.094 -0.028 0.000 1.028 1383 V CA -0.769 61.541 62.300 0.017 0.000 0.860 1383 V CB 0.564 32.391 31.823 0.006 0.000 0.990 1383 V HN 0.804 nan 8.190 nan 0.000 0.453 1384 R N 4.274 124.719 120.500 -0.093 0.000 2.320 1384 R HA 0.428 4.768 4.340 -0.001 0.000 0.319 1384 R C -0.369 175.939 176.300 0.013 0.000 0.969 1384 R CA -0.599 55.323 56.100 -0.296 0.000 0.857 1384 R CB 1.159 30.971 30.300 -0.813 0.000 1.160 1384 R HN 0.666 nan 8.270 nan 0.000 0.491 1385 E N 2.292 122.555 120.200 0.105 0.000 2.269 1385 E HA -0.298 4.052 4.350 -0.001 0.000 0.223 1385 E C -0.588 176.062 176.600 0.084 0.000 1.244 1385 E CA 0.992 57.450 56.400 0.097 0.000 0.713 1385 E CB -1.439 28.312 29.700 0.085 0.000 1.178 1385 E HN 0.941 nan 8.360 nan 0.000 0.370 1386 N N -2.787 115.965 118.700 0.087 0.000 2.828 1386 N HA -0.208 4.531 4.740 -0.001 0.000 0.248 1386 N C -0.586 174.972 175.510 0.081 0.000 1.044 1386 N CA 1.118 54.217 53.050 0.081 0.000 0.851 1386 N CB -0.542 37.987 38.487 0.070 0.000 1.136 1386 N HN 0.179 nan 8.380 nan 0.000 0.572 1387 V N 0.984 120.956 119.914 0.097 0.000 2.417 1387 V HA 0.444 4.564 4.120 -0.001 0.000 0.291 1387 V C 0.469 176.631 176.094 0.114 0.000 1.024 1387 V CA -0.849 61.500 62.300 0.081 0.000 0.861 1387 V CB 1.914 33.788 31.823 0.085 0.000 0.985 1387 V HN -0.049 nan 8.190 nan 0.000 0.436 1388 V N 5.750 125.694 119.914 0.050 0.000 2.461 1388 V HA 0.332 4.452 4.120 -0.001 0.000 0.275 1388 V C -0.632 175.477 176.094 0.025 0.000 1.047 1388 V CA -0.308 62.049 62.300 0.094 0.000 0.955 1388 V CB 0.539 32.409 31.823 0.079 0.000 0.988 1388 V HN 0.692 nan 8.190 nan 0.000 0.471 1389 Y N 2.855 123.194 120.300 0.065 0.000 2.409 1389 Y HA 0.468 5.018 4.550 -0.001 0.000 0.339 1389 Y C 0.456 176.417 175.900 0.101 0.000 1.033 1389 Y CA -1.330 56.799 58.100 0.049 0.000 1.094 1389 Y CB 1.371 39.791 38.460 -0.067 0.000 1.210 1389 Y HN 0.818 nan 8.280 nan 0.000 0.456 1390 D N 0.639 121.126 120.400 0.146 0.000 2.447 1390 D HA 0.085 4.724 4.640 -0.001 0.000 0.265 1390 D C 0.756 176.932 176.300 -0.206 0.000 1.250 1390 D CA -0.576 53.301 54.000 -0.205 0.000 1.046 1390 D CB 0.573 41.255 40.800 -0.197 0.000 1.095 1390 D HN 0.616 nan 8.370 nan 0.000 0.555 1391 K N -1.111 119.076 120.400 -0.354 0.000 2.362 1391 K HA -0.080 4.239 4.320 -0.001 0.000 0.200 1391 K C -0.037 176.499 176.600 -0.107 0.000 1.046 1391 K CA 0.917 57.075 56.287 -0.216 0.000 0.952 1391 K CB -0.099 32.262 32.500 -0.231 0.000 0.753 1391 K HN 0.228 nan 8.250 nan 0.000 0.466 1392 D N 0.934 121.285 120.400 -0.082 0.000 2.342 1392 D HA 0.074 4.714 4.640 -0.001 0.000 0.221 1392 D C -0.450 175.857 176.300 0.012 0.000 1.101 1392 D CA 0.082 54.064 54.000 -0.031 0.000 0.837 1392 D CB 0.670 41.454 40.800 -0.028 0.000 0.938 1392 D HN 0.118 nan 8.370 nan 0.000 0.508 1393 S N 0.655 116.380 115.700 0.043 0.000 3.586 1393 S HA -0.149 4.321 4.470 -0.001 0.000 0.309 1393 S C 0.081 174.833 174.600 0.253 0.000 1.195 1393 S CA 0.085 58.362 58.200 0.129 0.000 0.895 1393 S CB -1.324 61.887 63.200 0.019 0.000 0.983 1393 S HN 0.370 nan 8.310 nan 0.000 0.563 1394 N N 1.979 120.774 118.700 0.159 0.000 2.479 1394 N HA 0.212 4.951 4.740 -0.001 0.000 0.285 1394 N C -0.002 175.471 175.510 -0.061 0.000 1.075 1394 N CA -0.382 52.719 53.050 0.085 0.000 0.967 1394 N CB 0.848 39.349 38.487 0.023 0.000 1.137 1394 N HN 0.404 nan 8.380 nan 0.000 0.472 1395 K N 0.971 121.200 120.400 -0.285 0.000 2.451 1395 K HA 0.027 4.346 4.320 -0.001 0.000 0.280 1395 K C 0.507 176.954 176.600 -0.257 0.000 1.020 1395 K CA -0.009 55.913 56.287 -0.608 0.000 1.008 1395 K CB 0.428 32.631 32.500 -0.495 0.000 0.917 1395 K HN 0.665 nan 8.250 nan 0.000 0.478 1396 T N 0.414 114.854 114.554 -0.190 0.000 2.880 1396 T HA 0.172 4.521 4.350 -0.001 0.000 0.279 1396 T C 0.816 175.451 174.700 -0.108 0.000 0.990 1396 T CA -0.537 61.545 62.100 -0.031 0.000 0.938 1396 T CB 0.899 69.873 68.868 0.177 0.000 1.206 1396 T HN 0.644 nan 8.240 nan 0.000 0.573 1397 E N -0.649 119.443 120.200 -0.180 0.000 2.502 1397 E HA 0.097 4.446 4.350 -0.001 0.000 0.194 1397 E C -0.666 175.701 176.600 -0.389 0.000 1.062 1397 E CA 0.118 56.325 56.400 -0.321 0.000 0.867 1397 E CB -0.029 29.411 29.700 -0.433 0.000 0.888 1397 E HN 0.513 nan 8.360 nan 0.000 0.510 1398 Y N 0.438 120.702 120.300 -0.060 0.000 2.387 1398 Y HA 0.268 4.817 4.550 -0.001 0.000 0.330 1398 Y C 0.831 176.723 175.900 -0.012 0.000 1.133 1398 Y CA -0.657 57.422 58.100 -0.036 0.000 1.152 1398 Y CB 1.593 39.999 38.460 -0.091 0.000 1.215 1398 Y HN -0.194 nan 8.280 nan 0.000 0.466 1399 T N -2.112 112.580 114.554 0.229 0.000 2.865 1399 T HA 0.802 5.151 4.350 -0.001 0.000 0.294 1399 T C -0.362 174.523 174.700 0.309 0.000 1.119 1399 T CA -0.861 61.353 62.100 0.191 0.000 1.007 1399 T CB 1.750 70.678 68.868 0.101 0.000 1.225 1399 T HN 0.681 nan 8.240 nan 0.000 0.515 1400 T N -0.930 113.774 114.554 0.250 0.000 2.888 1400 T HA 0.780 5.130 4.350 -0.001 0.000 0.288 1400 T C -0.771 174.111 174.700 0.303 0.000 1.063 1400 T CA -0.890 61.375 62.100 0.275 0.000 1.010 1400 T CB 1.584 70.523 68.868 0.118 0.000 1.214 1400 T HN 1.015 nan 8.240 nan 0.000 0.533 1401 N N -0.696 118.189 118.700 0.307 0.000 2.701 1401 N HA 0.607 5.346 4.740 -0.001 0.000 0.290 1401 N C 1.183 176.777 175.510 0.140 0.000 1.338 1401 N CA -0.544 52.634 53.050 0.214 0.000 0.799 1401 N CB 0.647 39.292 38.487 0.263 0.000 1.491 1401 N HN 0.792 nan 8.380 nan 0.000 0.540 1402 A N -0.368 122.519 122.820 0.112 0.000 2.019 1402 A HA 0.016 4.336 4.320 -0.001 0.000 0.219 1402 A C 1.691 179.337 177.584 0.104 0.000 1.164 1402 A CA 0.985 53.082 52.037 0.100 0.000 0.644 1402 A CB -0.951 18.100 19.000 0.085 0.000 0.805 1402 A HN 0.587 nan 8.150 nan 0.000 0.449 1403 L N -1.403 119.872 121.223 0.086 0.000 2.591 1403 L HA 0.209 4.548 4.340 -0.001 0.000 0.228 1403 L C 1.634 178.607 176.870 0.172 0.000 1.133 1403 L CA 0.535 55.417 54.840 0.071 0.000 0.880 1403 L CB 0.004 42.020 42.059 -0.071 0.000 1.033 1403 L HN 0.577 nan 8.230 nan 0.000 0.450 1404 G N -0.695 108.184 108.800 0.131 0.000 2.176 1404 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.253 1404 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.253 1404 G C -0.025 174.885 174.900 0.017 0.000 0.979 1404 G CA -0.157 44.996 45.100 0.089 0.000 0.641 1404 G HN 0.318 nan 8.290 nan 0.000 0.530 1405 D N -0.125 120.267 120.400 -0.014 0.000 2.423 1405 D HA 0.397 5.036 4.640 -0.001 0.000 0.238 1405 D C 0.345 176.448 176.300 -0.329 0.000 1.142 1405 D CA 0.189 54.047 54.000 -0.236 0.000 0.884 1405 D CB 1.556 42.141 40.800 -0.360 0.000 1.199 1405 D HN 0.275 nan 8.370 nan 0.000 0.438 1406 L N 2.928 123.882 121.223 -0.448 0.000 2.325 1406 L HA 0.428 4.767 4.340 -0.001 0.000 0.281 1406 L C -1.485 175.165 176.870 -0.366 0.000 1.004 1406 L CA -0.457 54.230 54.840 -0.256 0.000 0.823 1406 L CB 0.613 42.581 42.059 -0.152 0.000 1.236 1406 L HN 0.148 nan 8.230 nan 0.000 0.415 1407 F N 3.915 123.918 119.950 0.089 0.000 2.458 1407 F HA 0.510 5.036 4.527 -0.001 0.000 0.336 1407 F C 0.157 175.990 175.800 0.054 0.000 1.114 1407 F CA -0.677 57.358 58.000 0.058 0.000 0.987 1407 F CB 1.614 40.625 39.000 0.018 0.000 1.130 1407 F HN 0.331 nan 8.300 nan 0.000 0.458 1408 K N 3.277 123.757 120.400 0.132 0.000 2.316 1408 K HA 0.257 4.577 4.320 -0.001 0.000 0.267 1408 K C -0.146 176.407 176.600 -0.078 0.000 1.025 1408 K CA -0.355 55.855 56.287 -0.128 0.000 0.896 1408 K CB 0.283 32.670 32.500 -0.188 0.000 1.124 1408 K HN 0.711 nan 8.250 nan 0.000 0.451 1409 N N 3.365 121.993 118.700 -0.120 0.000 2.721 1409 N HA -0.224 4.516 4.740 -0.001 0.000 0.249 1409 N C 0.499 175.995 175.510 -0.024 0.000 1.072 1409 N CA 1.431 54.435 53.050 -0.078 0.000 0.710 1409 N CB -1.296 37.139 38.487 -0.087 0.000 0.993 1409 N HN 1.091 nan 8.380 nan 0.000 0.547 1410 G N -2.478 106.334 108.800 0.020 0.000 2.176 1410 G HA2 -0.306 3.654 3.960 -0.001 0.000 0.253 1410 G HA3 -0.306 3.654 3.960 -0.001 0.000 0.253 1410 G C 0.120 175.096 174.900 0.127 0.000 0.979 1410 G CA 0.681 45.783 45.100 0.004 0.000 0.641 1410 G HN 0.515 nan 8.290 nan 0.000 0.530 1411 T N 1.021 115.686 114.554 0.184 0.000 2.771 1411 T HA 0.500 4.850 4.350 -0.001 0.000 0.281 1411 T C 0.204 175.043 174.700 0.232 0.000 0.982 1411 T CA -0.368 61.846 62.100 0.191 0.000 0.978 1411 T CB 1.893 70.807 68.868 0.077 0.000 0.930 1411 T HN 0.457 nan 8.240 nan 0.000 0.447 1412 K N 3.248 123.771 120.400 0.205 0.000 2.412 1412 K HA 0.193 4.512 4.320 -0.001 0.000 0.281 1412 K C 0.911 177.455 176.600 -0.095 0.000 1.027 1412 K CA -0.006 56.192 56.287 -0.149 0.000 0.989 1412 K CB 0.191 32.557 32.500 -0.224 0.000 0.935 1412 K HN 0.724 nan 8.250 nan 0.000 0.475 1413 I N -0.611 119.882 120.570 -0.129 0.000 4.312 1413 I HA 0.371 4.540 4.170 -0.001 0.000 0.324 1413 I C 0.275 176.346 176.117 -0.077 0.000 1.298 1413 I CA -0.269 60.996 61.300 -0.057 0.000 1.231 1413 I CB 0.507 38.512 38.000 0.009 0.000 1.152 1413 I HN 0.499 nan 8.210 nan 0.000 0.421 1414 D N 0.175 120.496 120.400 -0.132 0.000 3.485 1414 D HA 0.256 4.896 4.640 -0.001 0.000 0.358 1414 D C -1.802 174.413 176.300 -0.141 0.000 1.487 1414 D CA -0.481 53.456 54.000 -0.104 0.000 0.922 1414 D CB 1.191 41.947 40.800 -0.073 0.000 1.479 1414 D HN 0.083 nan 8.370 nan 0.000 0.567 1415 N N 0.752 119.398 118.700 -0.089 0.000 2.369 1415 N HA 0.212 4.952 4.740 -0.001 0.000 0.287 1415 N C 0.897 176.384 175.510 -0.039 0.000 1.067 1415 N CA -0.328 52.683 53.050 -0.064 0.000 0.888 1415 N CB 1.687 40.170 38.487 -0.007 0.000 1.616 1415 N HN 0.530 nan 8.380 nan 0.000 0.482 1416 I N 0.218 120.761 120.570 -0.046 0.000 3.083 1416 I HA -0.007 4.162 4.170 -0.001 0.000 0.273 1416 I C 0.353 176.454 176.117 -0.027 0.000 1.297 1416 I CA 0.805 62.070 61.300 -0.058 0.000 1.452 1416 I CB -0.108 37.841 38.000 -0.085 0.000 1.078 1416 I HN 0.256 nan 8.210 nan 0.000 0.484 1417 N N 1.645 120.354 118.700 0.015 0.000 2.336 1417 N HA 0.037 4.776 4.740 -0.001 0.000 0.189 1417 N C 0.914 176.463 175.510 0.066 0.000 1.113 1417 N CA 0.547 53.615 53.050 0.031 0.000 0.858 1417 N CB 0.339 38.874 38.487 0.079 0.000 0.970 1417 N HN 0.580 nan 8.380 nan 0.000 0.471 1418 S N 0.068 115.799 115.700 0.051 0.000 2.681 1418 S HA 0.179 4.649 4.470 -0.001 0.000 0.270 1418 S C 1.389 176.018 174.600 0.049 0.000 1.209 1418 S CA -0.359 57.873 58.200 0.053 0.000 0.988 1418 S CB 1.405 64.624 63.200 0.030 0.000 1.006 1418 S HN 0.165 nan 8.310 nan 0.000 0.558 1419 S N -0.836 114.889 115.700 0.043 0.000 2.603 1419 S HA 0.029 4.498 4.470 -0.001 0.000 0.220 1419 S C 1.204 175.815 174.600 0.019 0.000 0.967 1419 S CA 0.579 58.800 58.200 0.036 0.000 0.920 1419 S CB -0.938 62.275 63.200 0.022 0.000 0.773 1419 S HN 1.018 nan 8.310 nan 0.000 0.529 1420 T N -2.026 112.532 114.554 0.008 0.000 3.043 1420 T HA 0.617 4.967 4.350 -0.001 0.000 0.272 1420 T C 0.561 175.249 174.700 -0.020 0.000 0.990 1420 T CA 0.157 62.254 62.100 -0.005 0.000 0.897 1420 T CB 0.083 68.947 68.868 -0.006 0.000 1.111 1420 T HN 0.472 nan 8.240 nan 0.000 0.529 1421 A N 3.370 126.173 122.820 -0.029 0.000 2.445 1421 A HA 0.531 4.850 4.320 -0.001 0.000 0.242 1421 A C -0.761 176.770 177.584 -0.089 0.000 1.075 1421 A CA -1.284 50.714 52.037 -0.065 0.000 0.777 1421 A CB 0.369 19.320 19.000 -0.081 0.000 1.013 1421 A HN 0.228 nan 8.150 nan 0.000 0.493 1422 P HA 0.044 nan 4.420 nan 0.000 0.229 1422 P C -0.189 176.956 177.300 -0.259 0.000 1.160 1422 P CA 0.992 63.993 63.100 -0.163 0.000 0.777 1422 P CB 0.096 31.696 31.700 -0.167 0.000 0.814 1423 L N -0.309 120.721 121.223 -0.322 0.000 2.381 1423 L HA 0.441 4.781 4.340 -0.001 0.000 0.274 1423 L C 0.091 176.847 176.870 -0.190 0.000 0.988 1423 L CA -0.650 53.981 54.840 -0.347 0.000 0.824 1423 L CB 2.623 44.325 42.059 -0.597 0.000 1.263 1423 L HN -0.297 nan 8.230 nan 0.000 0.410 1424 K N 1.962 122.313 120.400 -0.082 0.000 2.371 1424 K HA 0.749 5.069 4.320 -0.001 0.000 0.251 1424 K C -0.502 176.125 176.600 0.044 0.000 0.934 1424 K CA -0.734 55.544 56.287 -0.015 0.000 0.798 1424 K CB 2.621 35.142 32.500 0.033 0.000 1.204 1424 K HN 0.629 nan 8.250 nan 0.000 0.427 1425 A N 2.054 124.871 122.820 -0.005 0.000 2.429 1425 A HA 0.067 4.387 4.320 -0.001 0.000 0.242 1425 A C 0.013 177.661 177.584 0.107 0.000 1.088 1425 A CA 0.016 52.066 52.037 0.021 0.000 0.784 1425 A CB 0.140 19.063 19.000 -0.129 0.000 1.038 1425 A HN 0.773 nan 8.150 nan 0.000 0.501 1426 K N 0.657 121.169 120.400 0.186 0.000 2.436 1426 K HA 0.221 4.541 4.320 -0.001 0.000 0.275 1426 K C 0.593 177.088 176.600 -0.175 0.000 0.999 1426 K CA 0.586 56.874 56.287 0.000 0.000 0.980 1426 K CB 0.247 32.768 32.500 0.034 0.000 0.919 1426 K HN 0.734 nan 8.250 nan 0.000 0.484 1427 G N 2.629 111.087 108.800 -0.570 0.000 2.508 1427 G HA2 0.233 4.192 3.960 -0.001 0.000 0.301 1427 G HA3 0.233 4.192 3.960 -0.001 0.000 0.301 1427 G C -0.444 173.988 174.900 -0.780 0.000 0.965 1427 G CA -0.017 44.271 45.100 -1.353 0.000 1.339 1427 G HN 0.591 nan 8.290 nan 0.000 0.455 1428 T N 0.139 114.479 114.554 -0.358 0.000 2.693 1428 T HA 0.546 4.896 4.350 -0.001 0.000 0.304 1428 T C 0.154 174.676 174.700 -0.297 0.000 1.471 1428 T CA -0.039 61.919 62.100 -0.237 0.000 0.993 1428 T CB 0.887 69.528 68.868 -0.379 0.000 1.554 1428 T HN 0.829 nan 8.240 nan 0.000 0.496 1429 S N 0.962 116.436 115.700 -0.377 0.000 2.580 1429 S HA 0.666 5.135 4.470 -0.001 0.000 0.274 1429 S C -1.260 172.778 174.600 -0.938 0.000 1.329 1429 S CA -0.266 57.452 58.200 -0.804 0.000 1.036 1429 S CB 0.139 62.918 63.200 -0.702 0.000 0.919 1429 S HN 0.570 nan 8.310 nan 0.000 0.515 1430 Y N 0.290 120.319 120.300 -0.450 0.000 2.477 1430 Y HA 0.507 5.057 4.550 -0.001 0.000 0.347 1430 Y C -0.120 175.633 175.900 -0.245 0.000 0.981 1430 Y CA -1.381 56.571 58.100 -0.246 0.000 1.033 1430 Y CB 1.309 39.699 38.460 -0.118 0.000 1.245 1430 Y HN 0.509 nan 8.280 nan 0.000 0.455 1431 I N 3.277 123.808 120.570 -0.065 0.000 2.325 1431 I HA 0.220 4.389 4.170 -0.001 0.000 0.291 1431 I C -0.486 175.599 176.117 -0.053 0.000 1.019 1431 I CA -0.652 60.569 61.300 -0.132 0.000 1.302 1431 I CB 0.526 38.381 38.000 -0.242 0.000 1.401 1431 I HN 0.620 nan 8.210 nan 0.000 0.485 1432 N N 6.249 124.927 118.700 -0.038 0.000 2.456 1432 N HA 0.515 5.254 4.740 -0.001 0.000 0.296 1432 N C -0.951 174.530 175.510 -0.048 0.000 1.102 1432 N CA -0.486 52.562 53.050 -0.003 0.000 0.924 1432 N CB 2.296 40.801 38.487 0.030 0.000 1.186 1432 N HN 0.403 nan 8.380 nan 0.000 0.492 1433 L N 2.274 123.499 121.223 0.004 0.000 2.410 1433 L HA 0.657 4.997 4.340 -0.001 0.000 0.270 1433 L C -1.055 175.914 176.870 0.165 0.000 0.983 1433 L CA -0.798 54.077 54.840 0.059 0.000 0.822 1433 L CB 1.185 43.253 42.059 0.016 0.000 1.285 1433 L HN 0.368 nan 8.230 nan 0.000 0.409 1434 V N 2.746 122.785 119.914 0.207 0.000 3.074 1434 V HA 0.762 4.882 4.120 -0.001 0.000 0.314 1434 V C -1.201 175.151 176.094 0.430 0.000 1.117 1434 V CA -0.663 61.765 62.300 0.214 0.000 1.014 1434 V CB 1.801 33.695 31.823 0.120 0.000 1.057 1434 V HN 0.873 nan 8.190 nan 0.000 0.438 1435 Y N -0.569 119.941 120.300 0.350 0.000 2.615 1435 Y HA 0.887 5.436 4.550 -0.001 0.000 0.341 1435 Y C -0.491 175.367 175.900 -0.069 0.000 1.089 1435 Y CA -0.963 57.217 58.100 0.133 0.000 1.049 1435 Y CB 1.540 39.930 38.460 -0.118 0.000 1.296 1435 Y HN 0.893 nan 8.280 nan 0.000 0.470 1436 S N 0.372 115.921 115.700 -0.252 0.000 2.557 1436 S HA 0.406 4.876 4.470 -0.001 0.000 0.291 1436 S C -1.059 173.370 174.600 -0.287 0.000 1.116 1436 S CA -0.630 57.231 58.200 -0.564 0.000 0.992 1436 S CB 1.014 63.380 63.200 -1.390 0.000 1.028 1436 S HN 0.758 nan 8.310 nan 0.000 0.484 1437 D N 2.373 122.672 120.400 -0.169 0.000 2.395 1437 D HA 0.142 4.782 4.640 -0.001 0.000 0.213 1437 D C -0.143 176.082 176.300 -0.125 0.000 1.110 1437 D CA 0.248 54.179 54.000 -0.114 0.000 0.835 1437 D CB 0.480 41.260 40.800 -0.034 0.000 0.965 1437 D HN 0.739 nan 8.370 nan 0.000 0.505 1438 D N -0.308 119.983 120.400 -0.182 0.000 2.804 1438 D HA 0.096 4.736 4.640 -0.001 0.000 0.308 1438 D C -0.015 176.193 176.300 -0.153 0.000 1.371 1438 D CA -0.583 53.333 54.000 -0.139 0.000 0.823 1438 D CB 0.123 40.852 40.800 -0.119 0.000 1.126 1438 D HN -0.247 nan 8.370 nan 0.000 0.467 1439 D N -0.137 120.168 120.400 -0.159 0.000 2.907 1439 D HA -0.137 4.502 4.640 -0.001 0.000 0.226 1439 D C 1.286 177.515 176.300 -0.118 0.000 1.141 1439 D CA 1.910 55.850 54.000 -0.101 0.000 0.779 1439 D CB -1.243 39.529 40.800 -0.047 0.000 1.095 1439 D HN 0.751 nan 8.370 nan 0.000 0.430 1440 G N -0.901 107.709 108.800 -0.317 0.000 2.175 1440 G HA2 -0.401 3.559 3.960 -0.001 0.000 0.244 1440 G HA3 -0.401 3.559 3.960 -0.001 0.000 0.244 1440 G C 1.134 175.916 174.900 -0.196 0.000 0.982 1440 G CA 0.754 45.650 45.100 -0.339 0.000 0.641 1440 G HN 0.542 nan 8.290 nan 0.000 0.527 1441 K N 0.129 120.415 120.400 -0.189 0.000 2.062 1441 K HA 0.112 4.431 4.320 -0.001 0.000 0.205 1441 K C 1.405 177.958 176.600 -0.079 0.000 1.051 1441 K CA 1.583 57.834 56.287 -0.060 0.000 0.941 1441 K CB -0.059 32.412 32.500 -0.049 0.000 0.719 1441 K HN 0.679 nan 8.250 nan 0.000 0.440 1442 T N -2.362 112.036 114.554 -0.261 0.000 2.906 1442 T HA 0.520 4.869 4.350 -0.001 0.000 0.295 1442 T C -1.418 173.015 174.700 -0.445 0.000 1.061 1442 T CA -0.993 61.007 62.100 -0.166 0.000 1.000 1442 T CB 1.289 70.106 68.868 -0.085 0.000 1.103 1442 T HN 0.123 nan 8.240 nan 0.000 0.486 1443 W N 1.094 122.351 121.300 -0.071 0.000 2.936 1443 W HA 0.617 5.276 4.660 -0.001 0.000 0.338 1443 W C 0.566 176.964 176.519 -0.202 0.000 1.121 1443 W CA -0.772 56.495 57.345 -0.129 0.000 1.209 1443 W CB 1.942 31.348 29.460 -0.091 0.000 1.420 1443 W HN 1.012 nan 8.180 nan 0.000 0.516 1444 S N 0.223 115.828 115.700 -0.158 0.000 2.606 1444 S HA 0.311 4.780 4.470 -0.001 0.000 0.257 1444 S C -0.016 174.524 174.600 -0.100 0.000 1.327 1444 S CA -0.632 57.394 58.200 -0.289 0.000 0.984 1444 S CB 0.721 63.408 63.200 -0.856 0.000 0.941 1444 S HN 0.530 nan 8.310 nan 0.000 0.576 1445 E N 1.638 121.790 120.200 -0.079 0.000 2.349 1445 E HA 0.328 4.678 4.350 -0.001 0.000 0.265 1445 E C -2.276 174.323 176.600 -0.001 0.000 1.064 1445 E CA -2.054 54.326 56.400 -0.034 0.000 0.886 1445 E CB 0.190 29.882 29.700 -0.013 0.000 1.036 1445 E HN 0.503 nan 8.360 nan 0.000 0.413 1446 P HA -0.013 nan 4.420 nan 0.000 0.271 1446 P C -1.059 176.308 177.300 0.110 0.000 1.216 1446 P CA 0.126 63.263 63.100 0.062 0.000 0.776 1446 P CB 0.568 32.307 31.700 0.066 0.000 0.881 1447 Q N 1.573 121.460 119.800 0.144 0.000 2.241 1447 Q HA 0.296 4.636 4.340 -0.001 0.000 0.254 1447 Q C 0.059 176.158 176.000 0.164 0.000 0.917 1447 Q CA -0.577 55.336 55.803 0.183 0.000 0.919 1447 Q CB 1.076 29.953 28.738 0.232 0.000 1.237 1447 Q HN 0.305 nan 8.270 nan 0.000 0.434 1448 N N 3.138 121.972 118.700 0.223 0.000 2.462 1448 N HA 0.144 4.884 4.740 -0.001 0.000 0.242 1448 N C -0.182 175.500 175.510 0.287 0.000 1.010 1448 N CA -0.268 52.935 53.050 0.255 0.000 0.939 1448 N CB 0.572 39.254 38.487 0.325 0.000 1.127 1448 N HN 0.719 nan 8.380 nan 0.000 0.509 1449 I N 0.127 120.733 120.570 0.060 0.000 3.861 1449 I HA 0.313 4.483 4.170 -0.001 0.000 0.329 1449 I C 0.732 176.642 176.117 -0.346 0.000 1.321 1449 I CA -0.319 60.863 61.300 -0.198 0.000 1.126 1449 I CB -0.090 37.706 38.000 -0.341 0.000 1.018 1449 I HN 0.116 nan 8.210 nan 0.000 0.407 1450 N N 2.567 121.204 118.700 -0.104 0.000 2.192 1450 N HA -0.227 4.513 4.740 -0.001 0.000 0.188 1450 N C 1.642 176.951 175.510 -0.335 0.000 1.013 1450 N CA 1.981 54.952 53.050 -0.133 0.000 0.863 1450 N CB -0.464 38.156 38.487 0.222 0.000 0.990 1450 N HN 0.756 nan 8.380 nan 0.000 0.430 1451 F N -0.114 119.378 119.950 -0.763 0.000 2.333 1451 F HA 0.007 4.533 4.527 -0.001 0.000 0.300 1451 F C 1.716 177.276 175.800 -0.401 0.000 1.083 1451 F CA 0.801 58.319 58.000 -0.803 0.000 1.395 1451 F CB -0.523 37.701 39.000 -1.293 0.000 1.056 1451 F HN 0.047 nan 8.300 nan 0.000 0.529 1452 Q N 0.447 119.657 119.800 -0.984 0.000 2.373 1452 Q HA 0.121 4.460 4.340 -0.001 0.000 0.210 1452 Q C 2.068 177.826 176.000 -0.403 0.000 0.913 1452 Q CA 1.100 56.501 55.803 -0.670 0.000 0.911 1452 Q CB 0.607 28.906 28.738 -0.731 0.000 1.040 1452 Q HN 0.545 nan 8.270 nan 0.000 0.521 1453 V N -2.870 116.810 119.914 -0.388 0.000 3.604 1453 V HA 0.296 4.416 4.120 -0.001 0.000 0.277 1453 V C 0.392 176.283 176.094 -0.337 0.000 1.399 1453 V CA -0.095 62.018 62.300 -0.312 0.000 1.034 1453 V CB 0.302 31.956 31.823 -0.283 0.000 0.824 1453 V HN -0.062 nan 8.190 nan 0.000 0.439 1454 K N 2.145 122.338 120.400 -0.345 0.000 2.265 1454 K HA 0.464 4.784 4.320 -0.001 0.000 0.267 1454 K C -0.269 176.087 176.600 -0.406 0.000 0.994 1454 K CA -0.544 55.503 56.287 -0.399 0.000 0.860 1454 K CB 1.211 33.503 32.500 -0.346 0.000 1.099 1454 K HN 0.363 nan 8.250 nan 0.000 0.448 1455 K N 1.837 121.875 120.400 -0.604 0.000 2.107 1455 K HA 0.024 4.343 4.320 -0.001 0.000 0.251 1455 K C 0.634 176.901 176.600 -0.556 0.000 1.012 1455 K CA -0.452 55.461 56.287 -0.624 0.000 0.920 1455 K CB 0.673 32.562 32.500 -1.019 0.000 1.033 1455 K HN 0.661 nan 8.250 nan 0.000 0.478 1456 D N 0.619 120.833 120.400 -0.309 0.000 2.310 1456 D HA -0.170 4.469 4.640 -0.001 0.000 0.212 1456 D C 1.051 177.318 176.300 -0.056 0.000 0.965 1456 D CA 1.008 54.939 54.000 -0.115 0.000 0.879 1456 D CB -0.170 40.644 40.800 0.024 0.000 0.921 1456 D HN 0.731 nan 8.370 nan 0.000 0.510 1457 W N -0.310 120.950 121.300 -0.067 0.000 3.278 1457 W HA 0.392 5.051 4.660 -0.001 0.000 0.308 1457 W C -0.043 176.439 176.519 -0.062 0.000 1.253 1457 W CA -0.829 56.486 57.345 -0.050 0.000 1.759 1457 W CB -0.756 28.683 29.460 -0.034 0.000 1.093 1457 W HN -0.172 nan 8.180 nan 0.000 0.648 1458 M N 2.116 121.419 119.600 -0.495 0.000 2.216 1458 M HA 0.153 4.632 4.480 -0.001 0.000 0.356 1458 M C 1.452 177.638 176.300 -0.191 0.000 1.205 1458 M CA 0.274 55.333 55.300 -0.401 0.000 1.122 1458 M CB 2.268 34.430 32.600 -0.729 0.000 1.571 1458 M HN -0.164 nan 8.290 nan 0.000 0.464 1459 K N 2.987 123.342 120.400 -0.076 0.000 2.102 1459 K HA 0.147 4.466 4.320 -0.001 0.000 0.208 1459 K C -0.061 176.498 176.600 -0.069 0.000 1.027 1459 K CA 0.453 56.703 56.287 -0.060 0.000 0.958 1459 K CB 0.282 32.767 32.500 -0.025 0.000 0.819 1459 K HN 0.532 nan 8.250 nan 0.000 0.453 1460 F N 2.014 121.824 119.950 -0.233 0.000 2.404 1460 F HA 0.472 4.998 4.527 -0.001 0.000 0.339 1460 F C -1.211 174.465 175.800 -0.206 0.000 1.105 1460 F CA -1.145 56.713 58.000 -0.237 0.000 1.087 1460 F CB 1.324 40.097 39.000 -0.379 0.000 1.143 1460 F HN 0.036 nan 8.300 nan 0.000 0.491 1461 L N 5.991 126.582 121.223 -1.053 0.000 2.439 1461 L HA 0.858 5.197 4.340 -0.001 0.000 0.270 1461 L C -0.919 175.150 176.870 -1.335 0.000 0.972 1461 L CA -0.089 54.170 54.840 -0.969 0.000 0.836 1461 L CB 1.666 43.396 42.059 -0.549 0.000 1.255 1461 L HN 0.759 nan 8.230 nan 0.000 0.404 1462 G N 4.696 112.712 108.800 -1.307 0.000 2.619 1462 G HA2 0.547 4.506 3.960 -0.001 0.000 0.296 1462 G HA3 0.547 4.506 3.960 -0.001 0.000 0.296 1462 G C -1.019 173.739 174.900 -0.237 0.000 1.334 1462 G CA -0.820 43.821 45.100 -0.765 0.000 0.934 1462 G HN 0.446 nan 8.290 nan 0.000 0.476 1463 I N 1.174 121.695 120.570 -0.081 0.000 2.710 1463 I HA 0.220 4.390 4.170 -0.001 0.000 0.286 1463 I C 1.107 177.362 176.117 0.231 0.000 1.181 1463 I CA -0.323 61.005 61.300 0.046 0.000 1.430 1463 I CB 0.900 38.910 38.000 0.017 0.000 1.367 1463 I HN 0.515 nan 8.210 nan 0.000 0.577 1464 A N 9.700 132.661 122.820 0.235 0.000 2.279 1464 A HA 0.551 4.871 4.320 -0.001 0.000 0.306 1464 A C -2.179 175.478 177.584 0.122 0.000 1.300 1464 A CA -1.323 50.848 52.037 0.224 0.000 0.925 1464 A CB -0.238 18.853 19.000 0.153 0.000 1.152 1464 A HN 0.468 nan 8.150 nan 0.000 0.544 1465 P HA 0.465 nan 4.420 nan 0.000 0.274 1465 P C 0.795 178.137 177.300 0.069 0.000 1.231 1465 P CA 1.024 64.190 63.100 0.109 0.000 0.790 1465 P CB 1.627 33.427 31.700 0.167 0.000 0.951 1466 G N 2.079 110.928 108.800 0.081 0.000 1.781 1466 G HA2 -0.026 3.934 3.960 -0.001 0.000 0.082 1466 G HA3 -0.026 3.934 3.960 -0.001 0.000 0.082 1466 G C -0.869 174.100 174.900 0.116 0.000 0.919 1466 G CA -0.310 44.842 45.100 0.087 0.000 1.202 1466 G HN 0.816 nan 8.290 nan 0.000 0.393 1467 R N 0.197 120.772 120.500 0.125 0.000 2.817 1467 R HA 0.737 5.077 4.340 -0.001 0.000 0.268 1467 R C 0.156 176.546 176.300 0.150 0.000 1.027 1467 R CA -0.387 55.812 56.100 0.166 0.000 0.928 1467 R CB 1.348 31.818 30.300 0.284 0.000 1.228 1467 R HN 1.211 nan 8.270 nan 0.000 0.469 1468 G N 0.459 109.356 108.800 0.160 0.000 2.795 1468 G HA2 0.716 4.676 3.960 -0.001 0.000 0.267 1468 G HA3 0.716 4.676 3.960 -0.001 0.000 0.267 1468 G C -0.391 174.640 174.900 0.219 0.000 1.362 1468 G CA -1.076 44.129 45.100 0.175 0.000 1.048 1468 G HN 0.707 nan 8.290 nan 0.000 0.547 1469 I N -3.411 117.283 120.570 0.205 0.000 3.074 1469 I HA 0.688 4.857 4.170 -0.001 0.000 0.310 1469 I C -1.102 175.126 176.117 0.185 0.000 1.153 1469 I CA -1.137 60.287 61.300 0.207 0.000 0.993 1469 I CB 2.561 40.664 38.000 0.172 0.000 1.237 1469 I HN 0.478 nan 8.210 nan 0.000 0.443 1470 Q N 3.481 123.388 119.800 0.177 0.000 2.333 1470 Q HA 0.557 4.896 4.340 -0.001 0.000 0.268 1470 Q C -1.227 174.838 176.000 0.108 0.000 1.007 1470 Q CA -0.800 55.085 55.803 0.136 0.000 0.810 1470 Q CB 1.926 30.754 28.738 0.149 0.000 1.264 1470 Q HN 0.713 nan 8.270 nan 0.000 0.452 1471 I N 4.281 124.901 120.570 0.083 0.000 2.683 1471 I HA -0.082 4.088 4.170 -0.001 0.000 0.286 1471 I C 0.991 177.147 176.117 0.064 0.000 1.175 1471 I CA 0.525 61.868 61.300 0.072 0.000 1.429 1471 I CB 0.642 38.679 38.000 0.062 0.000 1.371 1471 I HN 0.713 nan 8.210 nan 0.000 0.569 1472 K N 4.062 124.498 120.400 0.060 0.000 2.276 1472 K HA 0.164 4.484 4.320 -0.001 0.000 0.198 1472 K C 0.085 176.707 176.600 0.036 0.000 1.052 1472 K CA 0.452 56.767 56.287 0.047 0.000 0.984 1472 K CB 0.260 32.787 32.500 0.045 0.000 0.836 1472 K HN 0.590 nan 8.250 nan 0.000 0.490 1473 N N 0.283 119.006 118.700 0.038 0.000 2.269 1473 N HA 0.330 5.069 4.740 -0.001 0.000 0.304 1473 N C 0.035 175.560 175.510 0.026 0.000 1.072 1473 N CA 0.227 53.295 53.050 0.030 0.000 0.802 1473 N CB 2.205 40.713 38.487 0.035 0.000 1.348 1473 N HN 0.233 nan 8.380 nan 0.000 0.484 1474 G N 1.136 109.940 108.800 0.007 0.000 2.587 1474 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.212 1474 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.212 1474 G C 0.329 175.191 174.900 -0.064 0.000 1.327 1474 G CA -0.361 44.731 45.100 -0.013 0.000 0.898 1474 G HN 0.582 nan 8.290 nan 0.000 0.551 1475 E N 0.032 120.151 120.200 -0.134 0.000 2.338 1475 E HA -0.062 4.288 4.350 -0.001 0.000 0.197 1475 E C 0.987 177.300 176.600 -0.479 0.000 1.007 1475 E CA 0.945 57.165 56.400 -0.299 0.000 0.849 1475 E CB -0.044 29.422 29.700 -0.390 0.000 0.774 1475 E HN 0.518 nan 8.360 nan 0.000 0.506 1476 H N 0.416 119.459 119.070 -0.044 0.000 2.486 1476 H HA 0.161 4.717 4.556 -0.001 0.000 0.284 1476 H C 0.034 175.335 175.328 -0.045 0.000 1.103 1476 H CA -0.165 55.843 56.048 -0.065 0.000 1.089 1476 H CB 0.033 29.727 29.762 -0.113 0.000 1.603 1476 H HN -0.017 nan 8.280 nan 0.000 0.557 1477 K N 0.597 121.011 120.400 0.024 0.000 2.511 1477 K HA 0.053 4.373 4.320 -0.001 0.000 0.280 1477 K C 1.062 177.678 176.600 0.027 0.000 1.008 1477 K CA 1.258 57.561 56.287 0.027 0.000 1.050 1477 K CB 0.195 32.699 32.500 0.007 0.000 0.889 1477 K HN 0.515 nan 8.250 nan 0.000 0.484 1478 G N 3.274 112.096 108.800 0.036 0.000 2.234 1478 G HA2 -0.312 3.648 3.960 -0.001 0.000 0.235 1478 G HA3 -0.312 3.648 3.960 -0.001 0.000 0.235 1478 G C 0.153 175.064 174.900 0.020 0.000 0.997 1478 G CA 0.240 45.358 45.100 0.030 0.000 0.623 1478 G HN 0.717 nan 8.290 nan 0.000 0.514 1479 R N 0.903 121.416 120.500 0.020 0.000 2.570 1479 R HA 0.460 4.799 4.340 -0.001 0.000 0.277 1479 R C 0.138 176.442 176.300 0.008 0.000 1.039 1479 R CA -0.148 55.947 56.100 -0.008 0.000 1.065 1479 R CB 0.019 30.297 30.300 -0.036 0.000 0.964 1479 R HN 0.308 nan 8.270 nan 0.000 0.428 1480 I N 5.089 125.641 120.570 -0.029 0.000 2.315 1480 I HA 0.197 4.367 4.170 -0.001 0.000 0.291 1480 I C -0.551 175.643 176.117 0.128 0.000 1.006 1480 I CA -0.763 60.550 61.300 0.023 0.000 1.265 1480 I CB 1.748 39.688 38.000 -0.100 0.000 1.387 1480 I HN 0.308 nan 8.210 nan 0.000 0.475 1481 V N 7.392 127.421 119.914 0.191 0.000 2.487 1481 V HA 0.418 4.538 4.120 -0.001 0.000 0.298 1481 V C -0.240 176.008 176.094 0.257 0.000 1.028 1481 V CA -0.650 61.799 62.300 0.249 0.000 0.860 1481 V CB 2.102 34.036 31.823 0.185 0.000 0.991 1481 V HN 0.396 nan 8.190 nan 0.000 0.427 1482 V N 7.082 127.165 119.914 0.282 0.000 2.409 1482 V HA 0.385 4.505 4.120 -0.001 0.000 0.290 1482 V C -2.508 173.687 176.094 0.169 0.000 1.017 1482 V CA -1.987 60.428 62.300 0.190 0.000 0.841 1482 V CB 2.140 34.030 31.823 0.112 0.000 1.003 1482 V HN 0.696 nan 8.190 nan 0.000 0.426 1483 P HA 0.252 nan 4.420 nan 0.000 0.268 1483 P C -0.590 176.790 177.300 0.132 0.000 1.205 1483 P CA 0.328 63.516 63.100 0.146 0.000 0.771 1483 P CB 0.883 32.654 31.700 0.118 0.000 0.858 1484 V N 1.196 121.205 119.914 0.158 0.000 3.182 1484 V HA 0.856 4.975 4.120 -0.001 0.000 0.308 1484 V C -1.414 174.857 176.094 0.295 0.000 1.240 1484 V CA -1.133 61.273 62.300 0.178 0.000 1.063 1484 V CB 1.931 33.800 31.823 0.077 0.000 1.076 1484 V HN 0.634 nan 8.190 nan 0.000 0.446 1485 Y N -0.182 120.159 120.300 0.069 0.000 2.609 1485 Y HA 0.926 5.475 4.550 -0.001 0.000 0.336 1485 Y C -1.332 174.663 175.900 0.158 0.000 1.129 1485 Y CA -1.297 56.829 58.100 0.045 0.000 1.040 1485 Y CB 1.714 40.209 38.460 0.060 0.000 1.310 1485 Y HN 1.087 nan 8.280 nan 0.000 0.460 1486 Y N -1.049 119.322 120.300 0.118 0.000 2.625 1486 Y HA 0.840 5.389 4.550 -0.001 0.000 0.338 1486 Y C -0.943 175.065 175.900 0.180 0.000 1.123 1486 Y CA -1.084 57.022 58.100 0.009 0.000 1.046 1486 Y CB 1.353 39.731 38.460 -0.137 0.000 1.299 1486 Y HN 0.832 nan 8.280 nan 0.000 0.464 1487 T N -0.296 114.472 114.554 0.356 0.000 2.918 1487 T HA 0.562 4.912 4.350 -0.001 0.000 0.286 1487 T C -0.376 174.517 174.700 0.322 0.000 1.026 1487 T CA -0.845 61.411 62.100 0.260 0.000 1.031 1487 T CB 1.409 70.287 68.868 0.017 0.000 1.046 1487 T HN 0.924 nan 8.240 nan 0.000 0.479 1488 N N 0.858 119.768 118.700 0.350 0.000 2.431 1488 N HA 0.219 4.958 4.740 -0.001 0.000 0.289 1488 N C 0.742 176.385 175.510 0.222 0.000 1.277 1488 N CA -0.800 52.486 53.050 0.392 0.000 0.972 1488 N CB 0.069 38.797 38.487 0.403 0.000 1.143 1488 N HN 0.763 nan 8.380 nan 0.000 0.578 1489 E N -0.711 119.617 120.200 0.212 0.000 2.204 1489 E HA -0.101 4.248 4.350 -0.001 0.000 0.195 1489 E C 0.721 177.383 176.600 0.102 0.000 0.990 1489 E CA 0.959 57.439 56.400 0.133 0.000 0.821 1489 E CB -0.097 29.677 29.700 0.125 0.000 0.750 1489 E HN 0.527 nan 8.360 nan 0.000 0.477 1490 K N -0.599 119.866 120.400 0.108 0.000 2.444 1490 K HA 0.067 4.387 4.320 -0.001 0.000 0.193 1490 K C 0.923 177.587 176.600 0.106 0.000 1.024 1490 K CA 0.432 56.776 56.287 0.094 0.000 1.077 1490 K CB 0.693 33.243 32.500 0.084 0.000 0.833 1490 K HN 0.216 nan 8.250 nan 0.000 0.517 1491 G N 1.632 110.494 108.800 0.103 0.000 2.157 1491 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.248 1491 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.248 1491 G C -0.271 174.703 174.900 0.123 0.000 0.979 1491 G CA -0.103 45.046 45.100 0.082 0.000 0.650 1491 G HN 0.051 nan 8.290 nan 0.000 0.529 1492 K N 0.766 121.251 120.400 0.143 0.000 2.143 1492 K HA 0.494 4.814 4.320 -0.001 0.000 0.272 1492 K C 0.563 177.266 176.600 0.172 0.000 1.001 1492 K CA -0.295 56.084 56.287 0.152 0.000 0.915 1492 K CB 1.139 33.712 32.500 0.122 0.000 1.047 1492 K HN 0.533 nan 8.250 nan 0.000 0.458 1493 Q N 0.710 120.617 119.800 0.179 0.000 2.241 1493 Q HA 0.400 4.739 4.340 -0.001 0.000 0.254 1493 Q C -0.644 175.393 176.000 0.061 0.000 0.917 1493 Q CA -0.345 55.572 55.803 0.191 0.000 0.919 1493 Q CB 1.572 30.491 28.738 0.302 0.000 1.237 1493 Q HN 0.419 nan 8.270 nan 0.000 0.434 1494 S N 0.762 116.394 115.700 -0.114 0.000 2.540 1494 S HA 0.425 4.895 4.470 -0.001 0.000 0.275 1494 S C -0.869 173.498 174.600 -0.388 0.000 1.123 1494 S CA -0.767 57.275 58.200 -0.263 0.000 0.907 1494 S CB 1.910 64.913 63.200 -0.329 0.000 1.081 1494 S HN 0.518 nan 8.310 nan 0.000 0.476 1495 S N 1.533 117.113 115.700 -0.200 0.000 2.632 1495 S HA 0.895 5.364 4.470 -0.001 0.000 0.267 1495 S C 0.207 174.745 174.600 -0.104 0.000 1.276 1495 S CA -0.430 57.700 58.200 -0.118 0.000 0.998 1495 S CB 1.256 64.370 63.200 -0.144 0.000 0.953 1495 S HN 1.034 nan 8.310 nan 0.000 0.547 1496 A N 0.412 123.259 122.820 0.045 0.000 2.506 1496 A HA 0.756 5.075 4.320 -0.001 0.000 0.305 1496 A C -1.155 176.571 177.584 0.237 0.000 1.166 1496 A CA -0.560 51.590 52.037 0.189 0.000 0.638 1496 A CB 0.422 19.651 19.000 0.381 0.000 1.336 1496 A HN 1.305 nan 8.150 nan 0.000 0.493 1497 V N -0.906 119.229 119.914 0.369 0.000 2.823 1497 V HA 0.860 4.980 4.120 -0.001 0.000 0.312 1497 V C -0.207 176.078 176.094 0.318 0.000 1.072 1497 V CA -0.593 61.912 62.300 0.342 0.000 0.937 1497 V CB 1.275 33.349 31.823 0.419 0.000 1.013 1497 V HN 1.417 nan 8.190 nan 0.000 0.430 1498 I N 2.295 123.008 120.570 0.238 0.000 2.566 1498 I HA 0.926 5.096 4.170 -0.001 0.000 0.303 1498 I C -0.597 175.756 176.117 0.394 0.000 0.983 1498 I CA -0.756 60.657 61.300 0.189 0.000 1.235 1498 I CB 1.845 39.885 38.000 0.067 0.000 1.386 1498 I HN 0.970 nan 8.210 nan 0.000 0.494 1499 Y N 1.628 122.108 120.300 0.301 0.000 2.609 1499 Y HA 0.753 5.303 4.550 -0.001 0.000 0.336 1499 Y C -1.047 174.720 175.900 -0.223 0.000 1.129 1499 Y CA -1.242 56.928 58.100 0.117 0.000 1.040 1499 Y CB 1.102 39.569 38.460 0.011 0.000 1.310 1499 Y HN 0.686 nan 8.280 nan 0.000 0.460 1500 S N 0.459 115.922 115.700 -0.395 0.000 2.571 1500 S HA 0.396 4.865 4.470 -0.001 0.000 0.284 1500 S C -0.997 173.411 174.600 -0.319 0.000 1.128 1500 S CA -0.615 57.145 58.200 -0.732 0.000 0.970 1500 S CB 1.074 63.259 63.200 -1.692 0.000 1.039 1500 S HN 0.772 nan 8.310 nan 0.000 0.485 1501 D N 2.233 122.515 120.400 -0.197 0.000 2.369 1501 D HA 0.127 4.767 4.640 -0.001 0.000 0.211 1501 D C -0.136 176.091 176.300 -0.122 0.000 1.077 1501 D CA 0.315 54.258 54.000 -0.095 0.000 0.842 1501 D CB 0.436 41.230 40.800 -0.011 0.000 0.947 1501 D HN 0.747 nan 8.370 nan 0.000 0.509 1502 D N -0.911 119.371 120.400 -0.197 0.000 2.945 1502 D HA 0.072 4.711 4.640 -0.001 0.000 0.366 1502 D C -0.163 176.044 176.300 -0.155 0.000 1.352 1502 D CA -0.716 53.198 54.000 -0.144 0.000 0.810 1502 D CB 0.060 40.787 40.800 -0.122 0.000 1.170 1502 D HN -0.296 nan 8.370 nan 0.000 0.461 1503 S N -0.522 115.083 115.700 -0.157 0.000 3.672 1503 S HA -0.036 4.434 4.470 -0.001 0.000 0.319 1503 S C 1.407 175.957 174.600 -0.083 0.000 1.151 1503 S CA 0.938 59.104 58.200 -0.057 0.000 0.911 1503 S CB -1.693 61.520 63.200 0.022 0.000 0.939 1503 S HN 1.464 nan 8.310 nan 0.000 0.524 1504 G N 0.353 108.893 108.800 -0.433 0.000 2.176 1504 G HA2 -0.364 3.596 3.960 -0.001 0.000 0.253 1504 G HA3 -0.364 3.596 3.960 -0.001 0.000 0.253 1504 G C 0.573 175.387 174.900 -0.142 0.000 0.979 1504 G CA 1.131 45.927 45.100 -0.506 0.000 0.641 1504 G HN 0.688 nan 8.290 nan 0.000 0.530 1505 K N -0.222 120.079 120.400 -0.165 0.000 2.031 1505 K HA 0.029 4.349 4.320 -0.001 0.000 0.205 1505 K C 0.699 177.276 176.600 -0.039 0.000 1.049 1505 K CA 1.114 57.385 56.287 -0.027 0.000 0.939 1505 K CB -0.065 32.415 32.500 -0.033 0.000 0.717 1505 K HN 0.424 nan 8.250 nan 0.000 0.438 1506 N N -0.899 117.649 118.700 -0.254 0.000 2.265 1506 N HA 0.189 4.929 4.740 -0.001 0.000 0.300 1506 N C -1.592 173.586 175.510 -0.553 0.000 1.148 1506 N CA -0.454 52.464 53.050 -0.219 0.000 0.772 1506 N CB 1.337 39.734 38.487 -0.150 0.000 1.434 1506 N HN 0.018 nan 8.380 nan 0.000 0.481 1507 W N -0.184 120.966 121.300 -0.251 0.000 2.950 1507 W HA 0.479 5.138 4.660 -0.001 0.000 0.340 1507 W C -0.277 176.010 176.519 -0.388 0.000 1.139 1507 W CA -0.315 56.845 57.345 -0.308 0.000 1.188 1507 W CB 1.767 31.045 29.460 -0.304 0.000 1.426 1507 W HN 0.142 nan 8.180 nan 0.000 0.531 1508 T N 2.720 117.087 114.554 -0.312 0.000 2.900 1508 T HA 0.520 4.869 4.350 -0.001 0.000 0.295 1508 T C -1.290 173.128 174.700 -0.469 0.000 1.044 1508 T CA -0.674 61.150 62.100 -0.460 0.000 0.995 1508 T CB 1.685 70.110 68.868 -0.737 0.000 1.072 1508 T HN 0.371 nan 8.240 nan 0.000 0.473 1509 I N 2.040 122.448 120.570 -0.270 0.000 2.359 1509 I HA 0.636 4.806 4.170 -0.001 0.000 0.294 1509 I C 0.816 176.932 176.117 -0.002 0.000 0.987 1509 I CA -0.171 61.056 61.300 -0.121 0.000 1.225 1509 I CB 0.707 38.643 38.000 -0.108 0.000 1.366 1509 I HN 0.745 nan 8.210 nan 0.000 0.466 1510 G N 5.365 114.285 108.800 0.200 0.000 2.588 1510 G HA2 0.248 4.208 3.960 -0.001 0.000 0.281 1510 G HA3 0.248 4.208 3.960 -0.001 0.000 0.281 1510 G C -0.458 174.635 174.900 0.322 0.000 1.236 1510 G CA -0.515 44.778 45.100 0.321 0.000 0.969 1510 G HN 0.702 nan 8.290 nan 0.000 0.504 1511 E N -0.599 119.798 120.200 0.329 0.000 2.408 1511 E HA 0.222 4.572 4.350 -0.001 0.000 0.259 1511 E C 0.323 177.229 176.600 0.509 0.000 1.110 1511 E CA -0.019 56.609 56.400 0.380 0.000 0.929 1511 E CB 0.823 30.715 29.700 0.319 0.000 0.971 1511 E HN 0.305 nan 8.360 nan 0.000 0.438 1512 S N 1.153 117.110 115.700 0.428 0.000 2.603 1512 S HA 0.115 4.585 4.470 -0.001 0.000 0.268 1512 S C -1.832 172.868 174.600 0.166 0.000 1.317 1512 S CA -1.484 56.864 58.200 0.246 0.000 1.012 1512 S CB 0.649 63.966 63.200 0.194 0.000 0.926 1512 S HN 0.208 nan 8.310 nan 0.000 0.539 1513 P HA -0.005 nan 4.420 nan 0.000 0.223 1513 P C 0.607 177.920 177.300 0.021 0.000 1.144 1513 P CA 0.758 63.797 63.100 -0.102 0.000 0.783 1513 P CB 0.037 31.526 31.700 -0.353 0.000 0.771 1514 N N -0.753 117.959 118.700 0.021 0.000 2.515 1514 N HA -0.043 4.697 4.740 -0.001 0.000 0.185 1514 N C -0.113 175.453 175.510 0.093 0.000 1.109 1514 N CA 0.796 53.877 53.050 0.051 0.000 0.903 1514 N CB -0.467 38.042 38.487 0.037 0.000 0.969 1514 N HN 0.158 nan 8.380 nan 0.000 0.450 1515 D N 1.777 122.260 120.400 0.139 0.000 2.325 1515 D HA 0.110 4.750 4.640 -0.001 0.000 0.251 1515 D C 0.330 176.700 176.300 0.117 0.000 1.196 1515 D CA 0.025 54.107 54.000 0.138 0.000 0.866 1515 D CB 0.237 41.151 40.800 0.189 0.000 1.101 1515 D HN 0.055 nan 8.370 nan 0.000 0.476 1516 N N 1.458 120.206 118.700 0.081 0.000 2.747 1516 N HA -0.246 4.494 4.740 -0.001 0.000 0.249 1516 N C 0.159 175.717 175.510 0.079 0.000 1.107 1516 N CA 0.443 53.537 53.050 0.072 0.000 0.707 1516 N CB -0.972 37.560 38.487 0.075 0.000 1.054 1516 N HN 0.540 nan 8.380 nan 0.000 0.555 1517 R N 1.675 122.220 120.500 0.076 0.000 2.491 1517 R HA 0.144 4.483 4.340 -0.001 0.000 0.283 1517 R C 0.292 176.628 176.300 0.059 0.000 1.072 1517 R CA -0.046 56.097 56.100 0.071 0.000 1.048 1517 R CB 0.651 30.985 30.300 0.058 0.000 0.983 1517 R HN 0.090 nan 8.270 nan 0.000 0.450 1518 K N 6.165 126.603 120.400 0.064 0.000 2.268 1518 K HA 0.187 4.507 4.320 -0.001 0.000 0.276 1518 K C -0.276 176.352 176.600 0.047 0.000 1.080 1518 K CA -0.461 55.858 56.287 0.054 0.000 0.910 1518 K CB 0.548 33.086 32.500 0.062 0.000 1.163 1518 K HN 0.532 nan 8.250 nan 0.000 0.465 1519 L N 2.705 123.950 121.223 0.037 0.000 2.468 1519 L HA 0.037 4.376 4.340 -0.001 0.000 0.253 1519 L C 1.925 178.812 176.870 0.028 0.000 1.237 1519 L CA 0.066 54.924 54.840 0.030 0.000 0.823 1519 L CB 0.326 42.399 42.059 0.024 0.000 1.124 1519 L HN 0.801 nan 8.230 nan 0.000 0.504 1520 E N 0.836 121.050 120.200 0.022 0.000 2.086 1520 E HA -0.262 4.087 4.350 -0.001 0.000 0.200 1520 E C 1.029 177.640 176.600 0.018 0.000 1.012 1520 E CA 2.285 58.696 56.400 0.019 0.000 0.812 1520 E CB 0.040 29.748 29.700 0.012 0.000 0.743 1520 E HN 0.663 nan 8.360 nan 0.000 0.453 1521 N N -1.664 117.045 118.700 0.016 0.000 2.235 1521 N HA 0.186 4.925 4.740 -0.001 0.000 0.209 1521 N C 0.320 175.841 175.510 0.017 0.000 1.122 1521 N CA 0.303 53.362 53.050 0.015 0.000 0.845 1521 N CB 1.411 39.905 38.487 0.011 0.000 1.004 1521 N HN 0.305 nan 8.380 nan 0.000 0.499 1522 G N 1.038 109.852 108.800 0.022 0.000 2.211 1522 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.201 1522 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.201 1522 G C 0.073 174.988 174.900 0.024 0.000 0.997 1522 G CA -0.556 44.559 45.100 0.025 0.000 0.652 1522 G HN 0.289 nan 8.290 nan 0.000 0.500 1523 K N 1.059 121.473 120.400 0.022 0.000 2.448 1523 K HA 0.392 4.712 4.320 -0.001 0.000 0.278 1523 K C 0.190 176.805 176.600 0.026 0.000 1.009 1523 K CA -0.219 56.080 56.287 0.021 0.000 0.995 1523 K CB 0.143 32.654 32.500 0.018 0.000 0.917 1523 K HN 0.060 nan 8.250 nan 0.000 0.481 1524 I N 6.740 127.325 120.570 0.025 0.000 2.359 1524 I HA 0.293 4.462 4.170 -0.001 0.000 0.294 1524 I C 0.442 176.574 176.117 0.025 0.000 0.987 1524 I CA -0.697 60.621 61.300 0.029 0.000 1.225 1524 I CB 0.726 38.743 38.000 0.029 0.000 1.366 1524 I HN 0.625 nan 8.210 nan 0.000 0.466 1525 I N 3.617 124.204 120.570 0.030 0.000 3.170 1525 I HA 0.674 4.843 4.170 -0.001 0.000 0.312 1525 I C -0.592 175.543 176.117 0.029 0.000 1.085 1525 I CA -0.765 60.551 61.300 0.025 0.000 0.999 1525 I CB 2.499 40.516 38.000 0.028 0.000 1.233 1525 I HN 0.471 nan 8.210 nan 0.000 0.467 1526 N N 0.378 119.091 118.700 0.021 0.000 2.331 1526 N HA 0.180 4.919 4.740 -0.001 0.000 0.280 1526 N C 0.289 175.818 175.510 0.033 0.000 1.155 1526 N CA 0.065 53.128 53.050 0.021 0.000 0.822 1526 N CB 2.418 40.888 38.487 -0.029 0.000 1.619 1526 N HN 0.875 nan 8.380 nan 0.000 0.476 1527 S N 1.984 117.740 115.700 0.093 0.000 2.423 1527 S HA -0.124 4.345 4.470 -0.001 0.000 0.231 1527 S C 1.582 176.261 174.600 0.132 0.000 1.014 1527 S CA 0.993 59.309 58.200 0.192 0.000 0.965 1527 S CB -0.012 63.430 63.200 0.403 0.000 0.785 1527 S HN 0.688 nan 8.310 nan 0.000 0.495 1528 K N 1.379 121.661 120.400 -0.197 0.000 2.155 1528 K HA -0.062 4.258 4.320 -0.001 0.000 0.203 1528 K C 1.894 178.361 176.600 -0.221 0.000 1.052 1528 K CA 1.636 57.576 56.287 -0.577 0.000 0.948 1528 K CB -0.274 31.579 32.500 -1.078 0.000 0.728 1528 K HN 0.662 nan 8.250 nan 0.000 0.448 1529 T N -1.235 113.244 114.554 -0.125 0.000 3.040 1529 T HA 0.123 4.473 4.350 -0.001 0.000 0.250 1529 T C 0.462 175.161 174.700 -0.000 0.000 1.058 1529 T CA -0.551 61.514 62.100 -0.058 0.000 0.988 1529 T CB 0.004 68.833 68.868 -0.064 0.000 0.993 1529 T HN 0.051 nan 8.240 nan 0.000 0.519 1530 L N 3.934 125.173 121.223 0.027 0.000 2.601 1530 L HA 0.257 4.597 4.340 -0.001 0.000 0.277 1530 L C 1.007 177.910 176.870 0.054 0.000 1.219 1530 L CA 0.626 55.494 54.840 0.046 0.000 0.915 1530 L CB 0.514 42.613 42.059 0.067 0.000 1.160 1530 L HN 0.358 nan 8.230 nan 0.000 0.494 1531 S N 0.981 116.707 115.700 0.043 0.000 2.666 1531 S HA 0.384 4.853 4.470 -0.001 0.000 0.239 1531 S C -0.066 174.561 174.600 0.045 0.000 1.031 1531 S CA -0.613 57.614 58.200 0.046 0.000 1.015 1531 S CB 0.015 63.234 63.200 0.033 0.000 0.981 1531 S HN 0.670 nan 8.310 nan 0.000 0.547 1532 D N 1.570 121.995 120.400 0.042 0.000 2.342 1532 D HA 0.349 4.989 4.640 -0.001 0.000 0.243 1532 D C -0.242 176.081 176.300 0.038 0.000 1.019 1532 D CA -0.475 53.546 54.000 0.035 0.000 0.864 1532 D CB 1.838 42.652 40.800 0.025 0.000 1.315 1532 D HN -0.119 nan 8.370 nan 0.000 0.468 1533 D N 0.884 121.302 120.400 0.030 0.000 2.149 1533 D HA -0.073 4.566 4.640 -0.001 0.000 0.201 1533 D C 1.823 178.121 176.300 -0.005 0.000 0.972 1533 D CA 0.751 54.763 54.000 0.020 0.000 0.835 1533 D CB 0.048 40.853 40.800 0.009 0.000 0.966 1533 D HN 0.460 nan 8.370 nan 0.000 0.476 1534 A N 1.378 124.194 122.820 -0.007 0.000 1.933 1534 A HA -0.104 4.215 4.320 -0.001 0.000 0.218 1534 A C -0.400 177.178 177.584 -0.011 0.000 1.175 1534 A CA 1.047 53.072 52.037 -0.019 0.000 0.628 1534 A CB -1.345 17.648 19.000 -0.010 0.000 0.814 1534 A HN 0.210 nan 8.150 nan 0.000 0.444 1535 P HA 0.082 nan 4.420 nan 0.000 0.253 1535 P C -0.058 177.248 177.300 0.010 0.000 1.260 1535 P CA -0.023 63.082 63.100 0.009 0.000 0.800 1535 P CB 0.018 31.728 31.700 0.017 0.000 1.162 1536 Q N 0.332 120.140 119.800 0.014 0.000 2.386 1536 Q HA 0.214 4.554 4.340 -0.001 0.000 0.282 1536 Q C -0.280 175.733 176.000 0.023 0.000 1.050 1536 Q CA 0.471 56.293 55.803 0.032 0.000 0.918 1536 Q CB 0.393 29.166 28.738 0.058 0.000 1.266 1536 Q HN 0.193 nan 8.270 nan 0.000 0.423 1537 L N 1.629 122.859 121.223 0.011 0.000 2.385 1537 L HA 0.443 4.782 4.340 -0.001 0.000 0.273 1537 L C 0.424 177.278 176.870 -0.027 0.000 0.990 1537 L CA -0.405 54.422 54.840 -0.022 0.000 0.821 1537 L CB 1.921 43.938 42.059 -0.070 0.000 1.279 1537 L HN 0.861 nan 8.230 nan 0.000 0.412 1538 T N -1.334 113.167 114.554 -0.089 0.000 1.672 1538 T HA 0.337 4.686 4.350 -0.001 0.000 0.180 1538 T C 0.219 174.616 174.700 -0.506 0.000 0.699 1538 T CA -0.596 61.343 62.100 -0.269 0.000 1.153 1538 T CB 0.068 68.771 68.868 -0.274 0.000 3.217 1538 T HN 0.442 nan 8.240 nan 0.000 0.426 1539 E N 0.895 120.624 120.200 -0.786 0.000 2.437 1539 E HA 0.425 4.774 4.350 -0.001 0.000 0.263 1539 E C -0.149 176.298 176.600 -0.255 0.000 1.030 1539 E CA -0.030 56.044 56.400 -0.545 0.000 0.934 1539 E CB 0.194 29.580 29.700 -0.522 0.000 0.943 1539 E HN 0.807 nan 8.360 nan 0.000 0.444 1540 C N 0.535 119.757 119.300 -0.129 0.000 3.311 1540 C HA 0.576 5.036 4.460 -0.001 0.000 0.325 1540 C C -1.503 173.491 174.990 0.006 0.000 1.352 1540 C CA -1.115 57.876 59.018 -0.044 0.000 1.308 1540 C CB 1.642 29.358 27.740 -0.039 0.000 1.619 1540 C HN 0.604 nan 8.230 nan 0.000 0.469 1541 Q N 0.318 120.151 119.800 0.055 0.000 2.416 1541 Q HA 0.755 5.094 4.340 -0.001 0.000 0.281 1541 Q C -1.453 174.612 176.000 0.108 0.000 1.067 1541 Q CA -0.486 55.353 55.803 0.060 0.000 0.809 1541 Q CB 2.650 31.387 28.738 -0.001 0.000 1.418 1541 Q HN 0.923 nan 8.270 nan 0.000 0.411 1542 V N 1.547 121.533 119.914 0.120 0.000 2.680 1542 V HA 0.819 4.939 4.120 -0.001 0.000 0.309 1542 V C -0.768 175.407 176.094 0.135 0.000 1.052 1542 V CA -0.552 61.858 62.300 0.184 0.000 0.908 1542 V CB 1.957 33.925 31.823 0.242 0.000 1.001 1542 V HN 0.610 nan 8.190 nan 0.000 0.431 1543 V N 2.709 122.724 119.914 0.170 0.000 3.141 1543 V HA 0.731 4.851 4.120 -0.001 0.000 0.312 1543 V C -0.718 175.492 176.094 0.193 0.000 1.157 1543 V CA -0.806 61.580 62.300 0.143 0.000 1.041 1543 V CB 1.900 33.769 31.823 0.076 0.000 1.071 1543 V HN 0.964 nan 8.190 nan 0.000 0.441 1544 E N 1.806 122.094 120.200 0.146 0.000 2.183 1544 E HA 0.520 4.869 4.350 -0.001 0.000 0.271 1544 E C -0.881 175.759 176.600 0.067 0.000 0.919 1544 E CA -0.969 55.500 56.400 0.115 0.000 0.781 1544 E CB 1.634 31.389 29.700 0.092 0.000 1.140 1544 E HN 0.702 nan 8.360 nan 0.000 0.402 1545 M N 3.725 123.332 119.600 0.013 0.000 2.197 1545 M HA 0.222 4.701 4.480 -0.001 0.000 0.305 1545 M C -1.756 174.472 176.300 -0.120 0.000 1.162 1545 M CA -2.328 52.863 55.300 -0.181 0.000 1.099 1545 M CB -0.277 32.079 32.600 -0.406 0.000 1.430 1545 M HN 0.352 nan 8.290 nan 0.000 0.481 1546 P HA -0.131 nan 4.420 nan 0.000 0.219 1546 P C 0.695 178.011 177.300 0.026 0.000 1.146 1546 P CA 1.314 64.387 63.100 -0.045 0.000 0.808 1546 P CB -0.020 31.658 31.700 -0.036 0.000 0.779 1547 N N -1.593 117.152 118.700 0.075 0.000 2.336 1547 N HA 0.070 4.810 4.740 -0.001 0.000 0.189 1547 N C 1.214 176.783 175.510 0.099 0.000 1.113 1547 N CA 0.824 53.942 53.050 0.113 0.000 0.858 1547 N CB -0.453 38.146 38.487 0.187 0.000 0.970 1547 N HN 0.179 nan 8.380 nan 0.000 0.471 1548 G N -0.000 108.850 108.800 0.083 0.000 2.194 1548 G HA2 -0.306 3.654 3.960 -0.001 0.000 0.236 1548 G HA3 -0.306 3.654 3.960 -0.001 0.000 0.236 1548 G C -0.185 174.777 174.900 0.104 0.000 0.987 1548 G CA 0.157 45.308 45.100 0.085 0.000 0.635 1548 G HN 0.626 nan 8.290 nan 0.000 0.520 1549 Q N 0.545 120.435 119.800 0.149 0.000 2.349 1549 Q HA 0.475 4.815 4.340 -0.001 0.000 0.287 1549 Q C 0.256 176.332 176.000 0.127 0.000 1.044 1549 Q CA 0.104 56.010 55.803 0.170 0.000 0.918 1549 Q CB 0.231 29.163 28.738 0.322 0.000 1.242 1549 Q HN 0.492 nan 8.270 nan 0.000 0.405 1550 L N 3.397 124.668 121.223 0.081 0.000 2.334 1550 L HA 0.521 4.861 4.340 -0.001 0.000 0.275 1550 L C -0.249 176.820 176.870 0.332 0.000 1.036 1550 L CA -0.901 54.043 54.840 0.172 0.000 0.807 1550 L CB 1.445 43.573 42.059 0.116 0.000 1.231 1550 L HN 0.513 nan 8.230 nan 0.000 0.438 1551 K N 3.211 123.869 120.400 0.430 0.000 2.413 1551 K HA 0.468 4.788 4.320 -0.001 0.000 0.257 1551 K C -1.282 175.640 176.600 0.536 0.000 0.946 1551 K CA -0.734 55.873 56.287 0.534 0.000 0.823 1551 K CB 2.578 35.485 32.500 0.677 0.000 1.109 1551 K HN 0.280 nan 8.250 nan 0.000 0.427 1552 L N 4.289 125.740 121.223 0.380 0.000 2.276 1552 L HA 0.425 4.765 4.340 -0.001 0.000 0.286 1552 L C -1.216 175.781 176.870 0.213 0.000 1.024 1552 L CA -0.360 54.579 54.840 0.165 0.000 0.826 1552 L CB 0.146 41.975 42.059 -0.384 0.000 1.211 1552 L HN 0.314 nan 8.230 nan 0.000 0.422 1553 F N 5.869 125.835 119.950 0.027 0.000 2.411 1553 F HA 0.551 5.078 4.527 -0.001 0.000 0.350 1553 F C 0.231 176.025 175.800 -0.011 0.000 1.114 1553 F CA -0.293 57.730 58.000 0.040 0.000 1.135 1553 F CB 1.034 40.100 39.000 0.111 0.000 1.120 1553 F HN 0.344 nan 8.300 nan 0.000 0.495 1554 M N 3.690 123.338 119.600 0.079 0.000 2.327 1554 M HA 0.387 4.866 4.480 -0.001 0.000 0.298 1554 M C -0.137 176.157 176.300 -0.010 0.000 1.065 1554 M CA -0.803 54.493 55.300 -0.007 0.000 0.916 1554 M CB 2.647 35.206 32.600 -0.068 0.000 1.630 1554 M HN 0.469 nan 8.290 nan 0.000 0.442 1555 R N 2.783 123.246 120.500 -0.061 0.000 2.570 1555 R HA 0.218 4.558 4.340 -0.001 0.000 0.277 1555 R C -0.781 175.538 176.300 0.032 0.000 1.039 1555 R CA 0.723 56.790 56.100 -0.054 0.000 1.065 1555 R CB 0.327 30.502 30.300 -0.209 0.000 0.964 1555 R HN 0.981 nan 8.270 nan 0.000 0.428 1556 N N 1.587 120.368 118.700 0.136 0.000 3.308 1556 N HA 0.128 4.868 4.740 -0.001 0.000 0.276 1556 N C -0.820 174.734 175.510 0.073 0.000 1.533 1556 N CA -0.917 52.197 53.050 0.107 0.000 0.878 1556 N CB 0.703 39.209 38.487 0.032 0.000 1.566 1556 N HN 0.416 nan 8.380 nan 0.000 0.546 1557 L N 0.358 121.547 121.223 -0.057 0.000 2.769 1557 L HA 0.283 4.622 4.340 -0.001 0.000 0.240 1557 L C 1.391 178.211 176.870 -0.083 0.000 1.163 1557 L CA 0.116 54.853 54.840 -0.171 0.000 0.962 1557 L CB 0.054 41.967 42.059 -0.243 0.000 1.258 1557 L HN 0.806 nan 8.230 nan 0.000 0.513 1558 S N -1.210 114.479 115.700 -0.018 0.000 2.527 1558 S HA 0.080 4.550 4.470 -0.001 0.000 0.222 1558 S C 1.658 176.268 174.600 0.017 0.000 0.985 1558 S CA 0.638 58.858 58.200 0.033 0.000 0.921 1558 S CB 0.338 63.595 63.200 0.094 0.000 0.772 1558 S HN 0.501 nan 8.310 nan 0.000 0.529 1559 G N -0.446 108.299 108.800 -0.092 0.000 2.195 1559 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.246 1559 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.246 1559 G C -0.127 174.422 174.900 -0.585 0.000 0.984 1559 G CA 0.424 45.331 45.100 -0.321 0.000 0.633 1559 G HN 0.583 nan 8.290 nan 0.000 0.525 1560 Y N -1.242 119.043 120.300 -0.025 0.000 2.581 1560 Y HA 0.681 5.231 4.550 -0.001 0.000 0.345 1560 Y C 0.317 176.186 175.900 -0.052 0.000 1.036 1560 Y CA -1.238 56.834 58.100 -0.046 0.000 1.042 1560 Y CB 1.193 39.623 38.460 -0.049 0.000 1.289 1560 Y HN 0.241 nan 8.280 nan 0.000 0.471 1561 L N 2.733 124.005 121.223 0.083 0.000 2.543 1561 L HA 0.124 4.464 4.340 -0.001 0.000 0.285 1561 L C -0.799 176.056 176.870 -0.025 0.000 1.236 1561 L CA 0.335 55.165 54.840 -0.016 0.000 0.871 1561 L CB -0.165 41.799 42.059 -0.158 0.000 1.121 1561 L HN 0.597 nan 8.230 nan 0.000 0.501 1562 N N 4.968 123.637 118.700 -0.051 0.000 2.314 1562 N HA 0.640 5.379 4.740 -0.001 0.000 0.304 1562 N C -1.232 174.191 175.510 -0.145 0.000 1.073 1562 N CA -0.254 52.755 53.050 -0.067 0.000 0.822 1562 N CB 1.712 40.179 38.487 -0.033 0.000 1.280 1562 N HN 0.520 nan 8.380 nan 0.000 0.489 1563 I N 0.883 121.372 120.570 -0.134 0.000 2.512 1563 I HA 0.588 4.758 4.170 -0.001 0.000 0.287 1563 I C -0.422 175.683 176.117 -0.019 0.000 1.069 1563 I CA -0.923 60.281 61.300 -0.161 0.000 1.056 1563 I CB 1.874 39.729 38.000 -0.241 0.000 1.229 1563 I HN 0.421 nan 8.210 nan 0.000 0.429 1564 A N 4.049 126.862 122.820 -0.011 0.000 2.311 1564 A HA 0.926 5.245 4.320 -0.001 0.000 0.334 1564 A C -0.375 177.396 177.584 0.311 0.000 1.139 1564 A CA -0.463 51.612 52.037 0.063 0.000 0.830 1564 A CB 1.373 20.238 19.000 -0.226 0.000 1.234 1564 A HN 0.607 nan 8.150 nan 0.000 0.483 1565 T N 1.051 115.842 114.554 0.395 0.000 2.848 1565 T HA 0.580 4.930 4.350 -0.001 0.000 0.285 1565 T C -0.499 174.164 174.700 -0.062 0.000 0.995 1565 T CA -0.319 61.917 62.100 0.226 0.000 0.970 1565 T CB 1.354 70.239 68.868 0.028 0.000 0.976 1565 T HN 0.750 nan 8.240 nan 0.000 0.441 1566 S N 1.569 117.039 115.700 -0.384 0.000 2.502 1566 S HA 0.559 5.028 4.470 -0.001 0.000 0.304 1566 S C -0.222 174.003 174.600 -0.624 0.000 1.097 1566 S CA -0.728 56.942 58.200 -0.883 0.000 1.045 1566 S CB 0.291 62.581 63.200 -1.517 0.000 1.019 1566 S HN 0.504 nan 8.310 nan 0.000 0.481 1567 F N 2.114 121.919 119.950 -0.241 0.000 2.776 1567 F HA 0.244 4.771 4.527 -0.001 0.000 0.300 1567 F C 1.150 176.879 175.800 -0.119 0.000 1.116 1567 F CA -0.357 57.557 58.000 -0.143 0.000 1.375 1567 F CB 0.133 39.051 39.000 -0.138 0.000 1.109 1567 F HN 0.592 nan 8.300 nan 0.000 0.585 1568 D N -1.762 118.573 120.400 -0.108 0.000 2.804 1568 D HA 0.302 4.942 4.640 -0.001 0.000 0.308 1568 D C 1.347 177.369 176.300 -0.464 0.000 1.371 1568 D CA -0.138 53.794 54.000 -0.113 0.000 0.823 1568 D CB -0.056 40.692 40.800 -0.088 0.000 1.126 1568 D HN 0.163 nan 8.370 nan 0.000 0.467 1569 G N -0.311 108.236 108.800 -0.422 0.000 2.160 1569 G HA2 -0.022 3.937 3.960 -0.001 0.000 0.251 1569 G HA3 -0.022 3.937 3.960 -0.001 0.000 0.251 1569 G C 1.157 175.661 174.900 -0.659 0.000 1.008 1569 G CA 0.372 45.114 45.100 -0.596 0.000 0.724 1569 G HN 1.495 nan 8.290 nan 0.000 0.514 1570 G N -1.817 106.587 108.800 -0.660 0.000 2.176 1570 G HA2 0.134 4.094 3.960 -0.001 0.000 0.232 1570 G HA3 0.134 4.094 3.960 -0.001 0.000 0.232 1570 G C 1.516 176.198 174.900 -0.364 0.000 0.986 1570 G CA 1.183 45.945 45.100 -0.562 0.000 0.643 1570 G HN 2.003 nan 8.290 nan 0.000 0.522 1571 A N -0.536 122.038 122.820 -0.411 0.000 1.898 1571 A HA 0.475 4.794 4.320 -0.001 0.000 0.216 1571 A C 1.645 179.162 177.584 -0.112 0.000 1.181 1571 A CA 2.711 54.681 52.037 -0.111 0.000 0.620 1571 A CB -0.253 18.678 19.000 -0.114 0.000 0.819 1571 A HN 2.034 nan 8.150 nan 0.000 0.442 1572 T N -6.003 108.347 114.554 -0.340 0.000 2.841 1572 T HA 0.560 4.909 4.350 -0.001 0.000 0.296 1572 T C -1.338 172.977 174.700 -0.642 0.000 1.166 1572 T CA -0.823 61.132 62.100 -0.242 0.000 1.007 1572 T CB 1.069 69.897 68.868 -0.067 0.000 1.253 1572 T HN 0.339 nan 8.240 nan 0.000 0.511 1573 W N 0.227 121.510 121.300 -0.029 0.000 2.864 1573 W HA 0.563 5.223 4.660 -0.001 0.000 0.343 1573 W C -0.226 176.234 176.519 -0.099 0.000 1.109 1573 W CA -0.539 56.747 57.345 -0.099 0.000 1.192 1573 W CB 1.226 30.664 29.460 -0.037 0.000 1.426 1573 W HN 0.936 nan 8.180 nan 0.000 0.529 1574 D N 1.289 121.681 120.400 -0.014 0.000 2.400 1574 D HA -0.073 4.566 4.640 -0.001 0.000 0.238 1574 D C 1.466 177.846 176.300 0.134 0.000 1.157 1574 D CA 0.472 54.486 54.000 0.023 0.000 0.889 1574 D CB 1.093 41.829 40.800 -0.106 0.000 1.199 1574 D HN 0.630 nan 8.370 nan 0.000 0.436 1575 E N 0.504 120.787 120.200 0.139 0.000 2.338 1575 E HA -0.093 4.257 4.350 -0.001 0.000 0.197 1575 E C -0.062 176.612 176.600 0.123 0.000 1.007 1575 E CA 0.553 57.029 56.400 0.127 0.000 0.849 1575 E CB -0.113 29.655 29.700 0.113 0.000 0.774 1575 E HN 0.217 nan 8.360 nan 0.000 0.506 1576 T N 1.872 116.515 114.554 0.150 0.000 2.744 1576 T HA 0.335 4.685 4.350 -0.001 0.000 0.291 1576 T C -0.591 174.182 174.700 0.122 0.000 0.957 1576 T CA -0.598 61.582 62.100 0.133 0.000 1.002 1576 T CB 1.785 70.748 68.868 0.159 0.000 0.919 1576 T HN -0.067 nan 8.240 nan 0.000 0.468 1577 V N 4.401 124.362 119.914 0.077 0.000 2.364 1577 V HA 0.241 4.360 4.120 -0.001 0.000 0.272 1577 V C 0.649 176.768 176.094 0.042 0.000 1.036 1577 V CA -0.763 61.566 62.300 0.048 0.000 0.880 1577 V CB 1.030 32.861 31.823 0.012 0.000 0.991 1577 V HN 0.840 nan 8.190 nan 0.000 0.460 1578 E N 4.869 125.097 120.200 0.046 0.000 2.360 1578 E HA 0.168 4.517 4.350 -0.001 0.000 0.269 1578 E C -0.211 176.391 176.600 0.002 0.000 1.022 1578 E CA -0.473 55.947 56.400 0.033 0.000 0.887 1578 E CB 0.706 30.438 29.700 0.053 0.000 0.990 1578 E HN 0.600 nan 8.360 nan 0.000 0.426 1579 K N 4.191 124.589 120.400 -0.004 0.000 2.316 1579 K HA 0.093 4.413 4.320 -0.001 0.000 0.267 1579 K C -1.104 175.473 176.600 -0.038 0.000 1.025 1579 K CA -0.634 55.646 56.287 -0.013 0.000 0.896 1579 K CB 0.857 33.349 32.500 -0.013 0.000 1.124 1579 K HN 0.372 nan 8.250 nan 0.000 0.451 1580 D N 3.736 124.122 120.400 -0.024 0.000 2.428 1580 D HA 0.011 4.651 4.640 -0.001 0.000 0.221 1580 D C 0.706 176.970 176.300 -0.060 0.000 1.123 1580 D CA -0.226 53.768 54.000 -0.009 0.000 0.869 1580 D CB 1.278 42.109 40.800 0.053 0.000 1.032 1580 D HN 0.673 nan 8.370 nan 0.000 0.506 1581 T N 0.515 114.949 114.554 -0.200 0.000 3.160 1581 T HA -0.018 4.332 4.350 -0.001 0.000 0.257 1581 T C 1.011 175.610 174.700 -0.168 0.000 1.147 1581 T CA 0.102 61.907 62.100 -0.491 0.000 1.064 1581 T CB -0.018 68.446 68.868 -0.673 0.000 0.949 1581 T HN 0.200 nan 8.240 nan 0.000 0.526 1582 N N 0.996 119.678 118.700 -0.029 0.000 2.467 1582 N HA 0.096 4.835 4.740 -0.001 0.000 0.184 1582 N C -0.326 175.146 175.510 -0.063 0.000 1.106 1582 N CA 0.217 53.278 53.050 0.018 0.000 0.892 1582 N CB 0.670 39.235 38.487 0.129 0.000 0.969 1582 N HN 0.336 nan 8.380 nan 0.000 0.454 1583 V N 2.308 122.175 119.914 -0.078 0.000 2.419 1583 V HA 0.290 4.409 4.120 -0.001 0.000 0.287 1583 V C 0.195 176.281 176.094 -0.014 0.000 1.017 1583 V CA -0.712 61.446 62.300 -0.236 0.000 0.844 1583 V CB 1.960 33.394 31.823 -0.649 0.000 1.011 1583 V HN 0.026 nan 8.190 nan 0.000 0.429 1584 L N 3.704 124.911 121.223 -0.026 0.000 2.483 1584 L HA 0.322 4.661 4.340 -0.001 0.000 0.276 1584 L C 0.576 177.388 176.870 -0.096 0.000 1.213 1584 L CA 0.553 55.313 54.840 -0.133 0.000 0.843 1584 L CB 0.402 42.373 42.059 -0.147 0.000 1.107 1584 L HN 0.569 nan 8.230 nan 0.000 0.487 1585 E N 5.076 125.191 120.200 -0.141 0.000 2.502 1585 E HA 0.230 4.580 4.350 -0.001 0.000 0.261 1585 E C -2.287 174.277 176.600 -0.060 0.000 0.974 1585 E CA -1.766 54.604 56.400 -0.050 0.000 0.795 1585 E CB 1.662 31.360 29.700 -0.002 0.000 1.385 1585 E HN 0.232 nan 8.360 nan 0.000 0.400 1586 P HA 0.033 nan 4.420 nan 0.000 0.255 1586 P C -0.392 176.964 177.300 0.093 0.000 1.357 1586 P CA -0.222 62.870 63.100 -0.013 0.000 0.839 1586 P CB -0.427 31.258 31.700 -0.025 0.000 1.356 1587 Y N -1.578 118.674 120.300 -0.079 0.000 3.038 1587 Y HA -0.185 4.365 4.550 -0.001 0.000 0.140 1587 Y C -1.101 174.756 175.900 -0.071 0.000 2.014 1587 Y CA -0.592 57.463 58.100 -0.074 0.000 1.080 1587 Y CB -1.899 36.528 38.460 -0.055 0.000 1.603 1587 Y HN 0.328 nan 8.280 nan 0.000 0.364 1588 C N 4.007 123.179 119.300 -0.214 0.000 3.170 1588 C HA 0.546 5.006 4.460 -0.001 0.000 0.319 1588 C C -0.013 174.723 174.990 -0.423 0.000 1.260 1588 C CA -0.637 58.214 59.018 -0.278 0.000 1.374 1588 C CB 1.492 29.154 27.740 -0.130 0.000 1.739 1588 C HN 0.702 nan 8.230 nan 0.000 0.479 1589 Q N 1.926 121.256 119.800 -0.783 0.000 2.428 1589 Q HA 0.358 4.698 4.340 -0.001 0.000 0.276 1589 Q C -1.014 174.693 176.000 -0.489 0.000 1.059 1589 Q CA 0.650 55.957 55.803 -0.827 0.000 0.923 1589 Q CB 0.797 28.544 28.738 -1.652 0.000 1.283 1589 Q HN 0.729 nan 8.270 nan 0.000 0.447 1590 L N -0.515 120.490 121.223 -0.363 0.000 2.327 1590 L HA 0.747 5.087 4.340 -0.001 0.000 0.258 1590 L C -0.662 176.018 176.870 -0.316 0.000 1.024 1590 L CA -0.814 53.819 54.840 -0.345 0.000 0.825 1590 L CB 1.860 43.752 42.059 -0.278 0.000 1.386 1590 L HN 0.414 nan 8.230 nan 0.000 0.417 1591 S N 0.282 115.731 115.700 -0.418 0.000 2.500 1591 S HA 0.896 5.365 4.470 -0.001 0.000 0.301 1591 S C -1.361 173.025 174.600 -0.356 0.000 1.092 1591 S CA -0.451 57.583 58.200 -0.276 0.000 1.030 1591 S CB 1.670 64.778 63.200 -0.154 0.000 1.031 1591 S HN 1.013 nan 8.310 nan 0.000 0.483 1592 V N 6.452 126.241 119.914 -0.208 0.000 2.888 1592 V HA 0.783 4.903 4.120 -0.001 0.000 0.309 1592 V C -1.262 174.774 176.094 -0.097 0.000 1.114 1592 V CA -0.784 61.402 62.300 -0.190 0.000 0.940 1592 V CB 1.748 33.288 31.823 -0.472 0.000 1.021 1592 V HN 0.936 nan 8.190 nan 0.000 0.426 1593 I N 2.193 122.753 120.570 -0.016 0.000 2.865 1593 I HA 0.652 4.822 4.170 -0.001 0.000 0.302 1593 I C -0.444 175.727 176.117 0.091 0.000 1.140 1593 I CA -0.969 60.361 61.300 0.052 0.000 1.021 1593 I CB 2.376 40.431 38.000 0.093 0.000 1.233 1593 I HN 0.550 nan 8.210 nan 0.000 0.427 1594 N N 1.875 120.639 118.700 0.107 0.000 2.482 1594 N HA 0.263 5.003 4.740 -0.001 0.000 0.260 1594 N C -1.516 174.112 175.510 0.196 0.000 1.236 1594 N CA 0.092 53.226 53.050 0.139 0.000 0.938 1594 N CB 0.439 38.988 38.487 0.104 0.000 1.128 1594 N HN 0.568 nan 8.380 nan 0.000 0.448 1595 Y N 0.075 120.411 120.300 0.059 0.000 2.429 1595 Y HA 0.263 4.813 4.550 -0.001 0.000 0.342 1595 Y C 1.035 176.959 175.900 0.040 0.000 1.004 1595 Y CA -0.932 57.199 58.100 0.051 0.000 1.075 1595 Y CB 1.328 39.827 38.460 0.064 0.000 1.214 1595 Y HN 0.661 nan 8.280 nan 0.000 0.455 1596 S N 2.355 117.695 115.700 -0.600 0.000 2.489 1596 S HA 0.122 4.592 4.470 -0.001 0.000 0.228 1596 S C 0.028 174.447 174.600 -0.302 0.000 0.995 1596 S CA 0.283 58.269 58.200 -0.356 0.000 0.934 1596 S CB -0.135 62.878 63.200 -0.312 0.000 0.771 1596 S HN 0.738 nan 8.310 nan 0.000 0.522 1597 Q N 0.765 120.311 119.800 -0.424 0.000 2.345 1597 Q HA 0.465 4.805 4.340 -0.001 0.000 0.268 1597 Q C -0.953 175.111 176.000 0.107 0.000 1.054 1597 Q CA -0.843 54.898 55.803 -0.103 0.000 0.835 1597 Q CB 1.770 30.468 28.738 -0.068 0.000 1.339 1597 Q HN 0.206 nan 8.270 nan 0.000 0.447 1598 K N 0.652 121.106 120.400 0.089 0.000 2.276 1598 K HA 0.306 4.625 4.320 -0.001 0.000 0.259 1598 K C -0.727 175.961 176.600 0.147 0.000 1.001 1598 K CA -0.136 56.221 56.287 0.116 0.000 0.927 1598 K CB 0.689 33.231 32.500 0.070 0.000 0.969 1598 K HN 0.244 nan 8.250 nan 0.000 0.490 1599 V N 2.729 122.726 119.914 0.138 0.000 2.531 1599 V HA 0.050 4.169 4.120 -0.001 0.000 0.301 1599 V C -0.676 175.488 176.094 0.116 0.000 1.034 1599 V CA -0.635 61.740 62.300 0.127 0.000 0.865 1599 V CB 1.484 33.385 31.823 0.130 0.000 0.995 1599 V HN 0.849 nan 8.190 nan 0.000 0.424 1600 D N 4.013 124.477 120.400 0.106 0.000 2.751 1600 D HA -0.191 4.448 4.640 -0.001 0.000 0.233 1600 D C 1.316 177.655 176.300 0.064 0.000 1.149 1600 D CA 1.842 55.899 54.000 0.095 0.000 0.682 1600 D CB -1.156 39.721 40.800 0.129 0.000 1.068 1600 D HN 1.492 nan 8.370 nan 0.000 0.429 1601 G N -1.389 107.446 108.800 0.058 0.000 2.162 1601 G HA2 -0.338 3.622 3.960 -0.001 0.000 0.260 1601 G HA3 -0.338 3.622 3.960 -0.001 0.000 0.260 1601 G C 0.189 175.112 174.900 0.039 0.000 0.976 1601 G CA 0.695 45.820 45.100 0.042 0.000 0.655 1601 G HN 0.381 nan 8.290 nan 0.000 0.533 1602 K N 0.798 121.228 120.400 0.049 0.000 2.375 1602 K HA 0.408 4.728 4.320 -0.001 0.000 0.249 1602 K C -0.497 176.134 176.600 0.052 0.000 0.942 1602 K CA -0.914 55.396 56.287 0.037 0.000 0.806 1602 K CB 1.520 34.032 32.500 0.021 0.000 1.227 1602 K HN 0.141 nan 8.250 nan 0.000 0.430 1603 D N 1.101 121.521 120.400 0.033 0.000 2.423 1603 D HA 0.262 4.901 4.640 -0.001 0.000 0.238 1603 D C -0.250 176.089 176.300 0.066 0.000 1.142 1603 D CA 0.481 54.508 54.000 0.045 0.000 0.884 1603 D CB 0.989 41.789 40.800 0.000 0.000 1.199 1603 D HN 0.528 nan 8.370 nan 0.000 0.438 1604 A N 0.913 123.812 122.820 0.131 0.000 2.556 1604 A HA 0.637 4.957 4.320 -0.001 0.000 0.294 1604 A C -0.569 177.143 177.584 0.213 0.000 1.091 1604 A CA -0.728 51.407 52.037 0.162 0.000 0.704 1604 A CB 1.664 20.771 19.000 0.177 0.000 1.300 1604 A HN 0.367 nan 8.150 nan 0.000 0.406 1605 V N -0.937 119.105 119.914 0.214 0.000 2.960 1605 V HA 0.840 4.960 4.120 -0.001 0.000 0.315 1605 V C -0.799 175.425 176.094 0.217 0.000 1.087 1605 V CA -0.965 61.464 62.300 0.215 0.000 0.982 1605 V CB 1.716 33.655 31.823 0.194 0.000 1.039 1605 V HN 0.680 nan 8.190 nan 0.000 0.437 1606 I N 2.822 123.507 120.570 0.192 0.000 2.441 1606 I HA 0.586 4.755 4.170 -0.001 0.000 0.295 1606 I C -0.728 175.527 176.117 0.230 0.000 0.994 1606 I CA -0.298 61.114 61.300 0.187 0.000 1.144 1606 I CB 1.375 39.428 38.000 0.089 0.000 1.314 1606 I HN 0.857 nan 8.210 nan 0.000 0.445 1607 F N 4.359 124.363 119.950 0.091 0.000 2.576 1607 F HA 0.640 5.167 4.527 -0.001 0.000 0.313 1607 F C -0.452 175.332 175.800 -0.027 0.000 1.078 1607 F CA -0.361 57.638 58.000 -0.002 0.000 0.921 1607 F CB 1.948 40.913 39.000 -0.059 0.000 1.232 1607 F HN 0.440 nan 8.300 nan 0.000 0.459 1608 S N 5.536 120.824 115.700 -0.685 0.000 2.571 1608 S HA 0.734 5.204 4.470 -0.001 0.000 0.284 1608 S C -1.644 172.596 174.600 -0.602 0.000 1.128 1608 S CA -0.459 57.502 58.200 -0.399 0.000 0.970 1608 S CB 1.083 64.210 63.200 -0.122 0.000 1.039 1608 S HN 1.059 nan 8.310 nan 0.000 0.485 1609 N N 2.673 121.232 118.700 -0.236 0.000 3.261 1609 N HA 0.484 5.223 4.740 -0.001 0.000 0.248 1609 N C -3.665 171.869 175.510 0.040 0.000 1.498 1609 N CA -1.330 51.682 53.050 -0.063 0.000 0.884 1609 N CB 0.660 39.055 38.487 -0.154 0.000 1.428 1609 N HN 0.326 nan 8.380 nan 0.000 0.517 1610 P HA 0.223 nan 4.420 nan 0.000 0.287 1610 P C -0.685 176.588 177.300 -0.046 0.000 1.307 1610 P CA -0.105 63.000 63.100 0.009 0.000 0.777 1610 P CB -0.064 31.666 31.700 0.049 0.000 0.883 1611 N N 3.015 121.658 118.700 -0.094 0.000 2.968 1611 N HA 0.423 5.162 4.740 -0.001 0.000 0.271 1611 N C -0.877 174.589 175.510 -0.074 0.000 1.174 1611 N CA -0.118 52.887 53.050 -0.075 0.000 1.096 1611 N CB -0.680 37.755 38.487 -0.087 0.000 1.403 1611 N HN 0.406 nan 8.380 nan 0.000 0.522 1612 A N 1.822 124.600 122.820 -0.070 0.000 2.467 1612 A HA 0.465 4.784 4.320 -0.001 0.000 0.301 1612 A C 0.064 177.600 177.584 -0.079 0.000 1.126 1612 A CA -0.709 51.288 52.037 -0.066 0.000 0.632 1612 A CB 0.799 19.767 19.000 -0.053 0.000 1.331 1612 A HN 0.396 nan 8.150 nan 0.000 0.482 1613 R N 0.136 120.594 120.500 -0.070 0.000 2.356 1613 R HA 0.226 4.565 4.340 -0.001 0.000 0.234 1613 R C 0.171 176.448 176.300 -0.039 0.000 0.929 1613 R CA 0.948 57.005 56.100 -0.072 0.000 1.084 1613 R CB -0.037 30.219 30.300 -0.072 0.000 1.105 1613 R HN 0.760 nan 8.270 nan 0.000 0.515 1614 S N -0.701 114.980 115.700 -0.031 0.000 2.705 1614 S HA 0.399 4.869 4.470 -0.001 0.000 0.280 1614 S C -0.420 174.158 174.600 -0.037 0.000 1.174 1614 S CA -1.124 57.067 58.200 -0.016 0.000 0.823 1614 S CB 1.661 64.862 63.200 0.000 0.000 1.162 1614 S HN 0.045 nan 8.310 nan 0.000 0.487 1615 R N 1.591 122.057 120.500 -0.058 0.000 3.266 1615 R HA 0.488 4.827 4.340 -0.001 0.000 0.224 1615 R C -0.198 175.986 176.300 -0.193 0.000 1.525 1615 R CA 0.028 56.035 56.100 -0.155 0.000 1.364 1615 R CB -0.204 29.938 30.300 -0.264 0.000 1.276 1615 R HN 0.793 nan 8.270 nan 0.000 0.660 1616 S N -0.116 115.534 115.700 -0.083 0.000 2.672 1616 S HA 0.269 4.738 4.470 -0.001 0.000 0.271 1616 S C -0.307 174.248 174.600 -0.075 0.000 1.171 1616 S CA -1.084 57.088 58.200 -0.047 0.000 0.817 1616 S CB 1.193 64.383 63.200 -0.016 0.000 1.150 1616 S HN 0.466 nan 8.310 nan 0.000 0.478 1617 N N -0.103 118.540 118.700 -0.095 0.000 2.727 1617 N HA -0.103 4.636 4.740 -0.001 0.000 0.251 1617 N C 0.078 175.404 175.510 -0.307 0.000 1.040 1617 N CA 0.984 53.943 53.050 -0.152 0.000 0.712 1617 N CB -1.305 37.121 38.487 -0.102 0.000 0.912 1617 N HN 1.276 nan 8.380 nan 0.000 0.545 1618 G N 0.869 109.332 108.800 -0.562 0.000 2.334 1618 G HA2 0.404 4.364 3.960 -0.001 0.000 0.261 1618 G HA3 0.404 4.364 3.960 -0.001 0.000 0.261 1618 G C -0.246 174.154 174.900 -0.833 0.000 1.257 1618 G CA 0.452 44.729 45.100 -1.371 0.000 0.935 1618 G HN 0.314 nan 8.290 nan 0.000 0.480 1619 T N 1.555 115.762 114.554 -0.579 0.000 2.881 1619 T HA 0.419 4.768 4.350 -0.001 0.000 0.290 1619 T C -0.314 174.292 174.700 -0.158 0.000 1.000 1619 T CA -0.376 61.560 62.100 -0.274 0.000 0.978 1619 T CB 1.944 70.713 68.868 -0.165 0.000 0.997 1619 T HN 0.323 nan 8.240 nan 0.000 0.443 1620 V N 4.490 124.351 119.914 -0.088 0.000 2.435 1620 V HA 0.571 4.690 4.120 -0.001 0.000 0.290 1620 V C 0.087 176.222 176.094 0.068 0.000 1.030 1620 V CA -0.774 61.529 62.300 0.004 0.000 0.881 1620 V CB 1.421 33.248 31.823 0.008 0.000 0.983 1620 V HN 0.717 nan 8.190 nan 0.000 0.445 1621 R N 4.435 125.039 120.500 0.174 0.000 2.803 1621 R HA 0.729 5.069 4.340 -0.001 0.000 0.276 1621 R C -1.277 175.226 176.300 0.338 0.000 0.978 1621 R CA -0.848 55.406 56.100 0.257 0.000 0.939 1621 R CB 2.489 32.949 30.300 0.267 0.000 1.179 1621 R HN 0.550 nan 8.270 nan 0.000 0.472 1622 I N 0.996 121.782 120.570 0.360 0.000 2.355 1622 I HA 0.340 4.510 4.170 -0.001 0.000 0.288 1622 I C 0.288 176.605 176.117 0.333 0.000 0.999 1622 I CA -0.559 60.928 61.300 0.311 0.000 1.163 1622 I CB 2.018 40.160 38.000 0.236 0.000 1.316 1622 I HN 0.687 nan 8.210 nan 0.000 0.454 1623 G N 7.421 116.338 108.800 0.194 0.000 2.370 1623 G HA2 0.636 4.596 3.960 -0.001 0.000 0.317 1623 G HA3 0.636 4.596 3.960 -0.001 0.000 0.317 1623 G C -0.590 174.251 174.900 -0.098 0.000 1.162 1623 G CA -0.523 44.369 45.100 -0.346 0.000 0.922 1623 G HN 0.441 nan 8.290 nan 0.000 0.454 1624 L N 3.005 124.150 121.223 -0.131 0.000 2.276 1624 L HA 0.388 4.728 4.340 -0.001 0.000 0.286 1624 L C 0.216 177.002 176.870 -0.141 0.000 1.061 1624 L CA -0.633 54.169 54.840 -0.062 0.000 0.807 1624 L CB 1.485 43.517 42.059 -0.044 0.000 1.177 1624 L HN 0.333 nan 8.230 nan 0.000 0.429 1625 I N 4.084 124.573 120.570 -0.135 0.000 2.416 1625 I HA 0.129 4.299 4.170 -0.001 0.000 0.288 1625 I C 0.086 176.114 176.117 -0.148 0.000 1.051 1625 I CA 0.157 61.286 61.300 -0.285 0.000 1.375 1625 I CB 0.343 38.174 38.000 -0.282 0.000 1.407 1625 I HN 0.618 nan 8.210 nan 0.000 0.516 1626 N N 6.037 124.651 118.700 -0.142 0.000 2.296 1626 N HA 0.190 4.929 4.740 -0.001 0.000 0.294 1626 N C -1.074 174.457 175.510 0.035 0.000 1.033 1626 N CA -0.666 52.363 53.050 -0.036 0.000 0.839 1626 N CB 2.419 40.862 38.487 -0.074 0.000 1.395 1626 N HN 0.578 nan 8.380 nan 0.000 0.479 1627 Q N 1.338 121.173 119.800 0.058 0.000 2.296 1627 Q HA 0.212 4.551 4.340 -0.001 0.000 0.262 1627 Q C 0.672 176.604 176.000 -0.113 0.000 0.981 1627 Q CA -0.253 55.489 55.803 -0.100 0.000 0.905 1627 Q CB 0.745 29.385 28.738 -0.163 0.000 1.186 1627 Q HN 0.558 nan 8.270 nan 0.000 0.399 1628 V N 0.770 120.594 119.914 -0.151 0.000 3.528 1628 V HA 0.651 4.771 4.120 -0.001 0.000 0.294 1628 V C 0.479 176.487 176.094 -0.143 0.000 1.404 1628 V CA 0.551 62.776 62.300 -0.125 0.000 1.065 1628 V CB -0.091 31.666 31.823 -0.109 0.000 0.904 1628 V HN 0.851 nan 8.190 nan 0.000 0.435 1629 G N 0.544 109.238 108.800 -0.176 0.000 2.356 1629 G HA2 0.429 4.389 3.960 -0.001 0.000 0.266 1629 G HA3 0.429 4.389 3.960 -0.001 0.000 0.266 1629 G C -0.531 174.245 174.900 -0.206 0.000 1.312 1629 G CA 0.243 45.241 45.100 -0.169 0.000 0.922 1629 G HN 1.025 nan 8.290 nan 0.000 0.480 1630 T N -2.164 112.279 114.554 -0.185 0.000 2.906 1630 T HA 0.724 5.074 4.350 -0.001 0.000 0.295 1630 T C -0.663 173.937 174.700 -0.167 0.000 1.075 1630 T CA -0.666 61.347 62.100 -0.145 0.000 1.005 1630 T CB 1.972 70.794 68.868 -0.076 0.000 1.136 1630 T HN 0.605 nan 8.240 nan 0.000 0.498 1631 Y N 0.871 121.133 120.300 -0.064 0.000 2.260 1631 Y HA 0.293 4.842 4.550 -0.001 0.000 0.339 1631 Y C 2.087 177.949 175.900 -0.063 0.000 1.317 1631 Y CA -0.406 57.673 58.100 -0.034 0.000 1.514 1631 Y CB 0.491 38.936 38.460 -0.025 0.000 1.382 1631 Y HN 0.800 nan 8.280 nan 0.000 0.581 1632 E N 0.302 120.589 120.200 0.145 0.000 2.153 1632 E HA -0.226 4.124 4.350 -0.001 0.000 0.194 1632 E C 1.180 177.788 176.600 0.013 0.000 0.988 1632 E CA 1.353 57.786 56.400 0.055 0.000 0.811 1632 E CB -0.244 29.492 29.700 0.059 0.000 0.746 1632 E HN 0.575 nan 8.360 nan 0.000 0.466 1633 N N 0.128 118.817 118.700 -0.019 0.000 2.461 1633 N HA 0.005 4.745 4.740 -0.001 0.000 0.188 1633 N C 1.181 176.618 175.510 -0.121 0.000 1.134 1633 N CA 0.892 53.881 53.050 -0.103 0.000 0.878 1633 N CB 0.440 38.805 38.487 -0.203 0.000 0.972 1633 N HN 0.234 nan 8.380 nan 0.000 0.456 1634 G N -0.942 107.816 108.800 -0.071 0.000 2.199 1634 G HA2 -0.272 3.688 3.960 -0.001 0.000 0.254 1634 G HA3 -0.272 3.688 3.960 -0.001 0.000 0.254 1634 G C -0.242 174.608 174.900 -0.083 0.000 0.982 1634 G CA 0.120 45.179 45.100 -0.068 0.000 0.632 1634 G HN 0.399 nan 8.290 nan 0.000 0.529 1635 E N 1.782 121.894 120.200 -0.146 0.000 2.390 1635 E HA 0.323 4.673 4.350 -0.001 0.000 0.261 1635 E C -1.992 174.639 176.600 0.052 0.000 1.076 1635 E CA -1.610 54.712 56.400 -0.130 0.000 0.905 1635 E CB 0.575 29.957 29.700 -0.530 0.000 0.984 1635 E HN 0.289 nan 8.360 nan 0.000 0.427 1636 P HA 0.037 nan 4.420 nan 0.000 0.268 1636 P C -0.476 176.752 177.300 -0.120 0.000 1.205 1636 P CA 0.146 63.124 63.100 -0.202 0.000 0.771 1636 P CB 0.574 32.014 31.700 -0.434 0.000 0.858 1637 K N 3.013 123.229 120.400 -0.307 0.000 2.307 1637 K HA 0.348 4.668 4.320 -0.001 0.000 0.263 1637 K C -1.214 175.192 176.600 -0.324 0.000 0.973 1637 K CA -0.600 55.529 56.287 -0.263 0.000 0.846 1637 K CB 0.485 32.663 32.500 -0.537 0.000 1.100 1637 K HN 0.330 nan 8.250 nan 0.000 0.438 1638 Y N 1.807 122.117 120.300 0.017 0.000 2.393 1638 Y HA 0.361 4.910 4.550 -0.001 0.000 0.341 1638 Y C 0.033 175.821 175.900 -0.186 0.000 0.988 1638 Y CA -0.654 57.378 58.100 -0.113 0.000 1.078 1638 Y CB 1.997 40.377 38.460 -0.133 0.000 1.203 1638 Y HN 0.571 nan 8.280 nan 0.000 0.453 1639 E N 1.372 121.492 120.200 -0.132 0.000 2.423 1639 E HA 0.566 4.916 4.350 -0.001 0.000 0.269 1639 E C -1.740 174.575 176.600 -0.475 0.000 0.948 1639 E CA -1.028 55.257 56.400 -0.191 0.000 0.802 1639 E CB 2.171 31.843 29.700 -0.048 0.000 1.339 1639 E HN 0.345 nan 8.360 nan 0.000 0.445 1640 F N 0.799 120.649 119.950 -0.167 0.000 2.469 1640 F HA 0.248 4.775 4.527 -0.001 0.000 0.332 1640 F C -0.017 175.446 175.800 -0.561 0.000 1.103 1640 F CA -0.812 56.903 58.000 -0.474 0.000 0.979 1640 F CB 1.367 39.851 39.000 -0.859 0.000 1.137 1640 F HN 0.227 nan 8.300 nan 0.000 0.463 1641 D N 2.700 122.874 120.400 -0.378 0.000 2.412 1641 D HA 0.153 4.793 4.640 -0.001 0.000 0.224 1641 D C -1.209 174.886 176.300 -0.341 0.000 1.093 1641 D CA -0.509 53.325 54.000 -0.275 0.000 0.850 1641 D CB 0.351 41.053 40.800 -0.162 0.000 1.046 1641 D HN 0.373 nan 8.370 nan 0.000 0.507 1642 W N 4.839 126.155 121.300 0.027 0.000 1.836 1642 W HA 0.250 4.910 4.660 -0.001 0.000 0.449 1642 W C 1.723 178.201 176.519 -0.069 0.000 0.787 1642 W CA -0.698 56.646 57.345 -0.002 0.000 1.729 1642 W CB 0.563 30.001 29.460 -0.037 0.000 1.802 1642 W HN 0.431 nan 8.180 nan 0.000 0.257 1643 K N 0.952 121.343 120.400 -0.015 0.000 2.167 1643 K HA -0.052 4.267 4.320 -0.001 0.000 0.203 1643 K C -0.367 175.964 176.600 -0.448 0.000 1.052 1643 K CA 0.912 57.017 56.287 -0.303 0.000 0.956 1643 K CB 0.147 32.346 32.500 -0.503 0.000 0.735 1643 K HN 0.189 nan 8.250 nan 0.000 0.451 1644 Y N 0.620 120.972 120.300 0.087 0.000 2.350 1644 Y HA 0.391 4.941 4.550 -0.001 0.000 0.338 1644 Y C -0.804 175.131 175.900 0.060 0.000 0.961 1644 Y CA -1.254 56.870 58.100 0.041 0.000 1.100 1644 Y CB 1.665 40.128 38.460 0.005 0.000 1.179 1644 Y HN -0.072 nan 8.280 nan 0.000 0.454 1645 N N 3.128 121.915 118.700 0.146 0.000 2.500 1645 N HA 0.241 4.981 4.740 -0.001 0.000 0.291 1645 N C -1.547 173.960 175.510 -0.006 0.000 1.092 1645 N CA -0.765 52.326 53.050 0.069 0.000 0.890 1645 N CB 2.478 40.989 38.487 0.041 0.000 1.466 1645 N HN 0.392 nan 8.380 nan 0.000 0.507 1646 K N 2.039 122.408 120.400 -0.051 0.000 2.413 1646 K HA 0.351 4.671 4.320 -0.001 0.000 0.257 1646 K C -1.058 175.475 176.600 -0.113 0.000 0.946 1646 K CA -0.725 55.483 56.287 -0.131 0.000 0.823 1646 K CB 0.983 33.322 32.500 -0.268 0.000 1.109 1646 K HN 0.428 nan 8.250 nan 0.000 0.427 1647 L N 6.222 127.384 121.223 -0.101 0.000 2.500 1647 L HA 0.152 4.492 4.340 -0.001 0.000 0.272 1647 L C 0.427 177.255 176.870 -0.071 0.000 1.149 1647 L CA 0.550 55.323 54.840 -0.111 0.000 0.897 1647 L CB 0.756 42.766 42.059 -0.082 0.000 1.178 1647 L HN 0.637 nan 8.230 nan 0.000 0.473 1648 V N 1.392 121.220 119.914 -0.144 0.000 3.570 1648 V HA 0.438 4.557 4.120 -0.001 0.000 0.257 1648 V C 0.479 176.470 176.094 -0.172 0.000 1.272 1648 V CA 0.279 62.522 62.300 -0.096 0.000 1.079 1648 V CB -0.247 31.514 31.823 -0.103 0.000 0.829 1648 V HN 0.768 nan 8.190 nan 0.000 0.454 1649 K N 2.121 122.358 120.400 -0.270 0.000 2.705 1649 K HA 0.600 4.920 4.320 -0.001 0.000 0.238 1649 K C -3.287 173.245 176.600 -0.113 0.000 0.996 1649 K CA -2.255 53.925 56.287 -0.178 0.000 1.007 1649 K CB 1.546 33.905 32.500 -0.234 0.000 1.206 1649 K HN 0.177 nan 8.250 nan 0.000 0.488 1650 P HA 0.284 nan 4.420 nan 0.000 0.269 1650 P C 0.315 177.641 177.300 0.044 0.000 1.209 1650 P CA 0.653 63.749 63.100 -0.007 0.000 0.776 1650 P CB 0.923 32.629 31.700 0.010 0.000 0.876 1651 G N 1.314 110.143 108.800 0.049 0.000 2.525 1651 G HA2 -0.270 3.690 3.960 -0.001 0.000 0.248 1651 G HA3 -0.270 3.690 3.960 -0.001 0.000 0.248 1651 G C -0.793 174.198 174.900 0.152 0.000 1.238 1651 G CA -0.424 44.739 45.100 0.105 0.000 0.926 1651 G HN 0.549 nan 8.290 nan 0.000 0.574 1652 Y N 0.616 120.978 120.300 0.103 0.000 2.610 1652 Y HA 0.475 5.024 4.550 -0.001 0.000 0.332 1652 Y C 0.051 176.087 175.900 0.228 0.000 1.201 1652 Y CA 1.026 59.204 58.100 0.129 0.000 1.465 1652 Y CB 0.296 38.815 38.460 0.099 0.000 1.283 1652 Y HN 0.801 nan 8.280 nan 0.000 0.563 1653 Y N 5.382 125.364 120.300 -0.531 0.000 2.313 1653 Y HA 0.556 5.106 4.550 -0.001 0.000 0.320 1653 Y C -0.779 174.857 175.900 -0.439 0.000 1.171 1653 Y CA -0.305 57.617 58.100 -0.297 0.000 1.093 1653 Y CB 0.716 39.067 38.460 -0.182 0.000 1.224 1653 Y HN 0.747 nan 8.280 nan 0.000 0.421 1654 A N 3.643 126.194 122.820 -0.448 0.000 2.834 1654 A HA 0.503 4.823 4.320 -0.001 0.000 0.205 1654 A C -1.212 176.319 177.584 -0.088 0.000 1.761 1654 A CA -0.076 51.846 52.037 -0.192 0.000 1.709 1654 A CB -0.125 18.848 19.000 -0.045 0.000 1.488 1654 A HN 0.541 nan 8.150 nan 0.000 0.457 1655 Y N 1.143 121.314 120.300 -0.215 0.000 2.357 1655 Y HA 0.479 5.029 4.550 -0.001 0.000 0.340 1655 Y C 1.056 176.823 175.900 -0.222 0.000 1.260 1655 Y CA -0.305 57.685 58.100 -0.183 0.000 1.425 1655 Y CB 0.628 39.025 38.460 -0.105 0.000 1.326 1655 Y HN 0.673 nan 8.280 nan 0.000 0.580 1656 S N 0.022 115.702 115.700 -0.034 0.000 2.596 1656 S HA 0.703 5.173 4.470 -0.001 0.000 0.270 1656 S C -1.544 173.067 174.600 0.018 0.000 1.155 1656 S CA -0.930 57.257 58.200 -0.023 0.000 0.827 1656 S CB 1.723 64.881 63.200 -0.071 0.000 1.130 1656 S HN 0.835 nan 8.310 nan 0.000 0.467 1657 C N 1.771 121.118 119.300 0.078 0.000 2.811 1657 C HA 0.661 5.120 4.460 -0.001 0.000 0.352 1657 C C -1.079 173.989 174.990 0.130 0.000 1.098 1657 C CA -0.516 58.556 59.018 0.089 0.000 1.295 1657 C CB -0.009 27.804 27.740 0.121 0.000 1.758 1657 C HN 0.958 nan 8.230 nan 0.000 0.488 1658 L N 3.522 124.808 121.223 0.104 0.000 2.375 1658 L HA 0.803 5.143 4.340 -0.001 0.000 0.268 1658 L C 0.507 177.466 176.870 0.148 0.000 1.058 1658 L CA 0.100 55.013 54.840 0.122 0.000 0.803 1658 L CB 1.882 43.988 42.059 0.078 0.000 1.212 1658 L HN 0.713 nan 8.230 nan 0.000 0.451 1659 T N 0.293 114.941 114.554 0.156 0.000 2.923 1659 T HA 0.196 4.546 4.350 -0.001 0.000 0.311 1659 T C -1.145 173.630 174.700 0.125 0.000 1.183 1659 T CA -0.613 61.560 62.100 0.121 0.000 1.020 1659 T CB 1.624 70.559 68.868 0.113 0.000 1.165 1659 T HN 0.657 nan 8.240 nan 0.000 0.482 1660 E N 3.301 123.560 120.200 0.100 0.000 2.313 1660 E HA 0.470 4.820 4.350 -0.001 0.000 0.276 1660 E C -0.472 176.167 176.600 0.065 0.000 1.031 1660 E CA -0.441 56.034 56.400 0.126 0.000 0.857 1660 E CB 0.592 30.361 29.700 0.116 0.000 1.040 1660 E HN 0.481 nan 8.360 nan 0.000 0.408 1661 L N 2.542 123.818 121.223 0.090 0.000 2.400 1661 L HA 0.204 4.544 4.340 -0.001 0.000 0.264 1661 L C 1.502 178.388 176.870 0.026 0.000 1.061 1661 L CA -0.609 54.267 54.840 0.060 0.000 0.799 1661 L CB 1.326 43.440 42.059 0.092 0.000 1.240 1661 L HN 0.609 nan 8.230 nan 0.000 0.461 1662 S N 0.436 116.140 115.700 0.006 0.000 2.419 1662 S HA -0.128 4.342 4.470 -0.001 0.000 0.233 1662 S C 1.276 175.876 174.600 0.001 0.000 1.016 1662 S CA 1.467 59.662 58.200 -0.009 0.000 0.974 1662 S CB -0.410 62.780 63.200 -0.017 0.000 0.786 1662 S HN 0.800 nan 8.310 nan 0.000 0.492 1663 N N 0.718 119.430 118.700 0.020 0.000 2.383 1663 N HA 0.180 4.920 4.740 -0.001 0.000 0.192 1663 N C 1.006 176.544 175.510 0.047 0.000 1.141 1663 N CA 0.798 53.865 53.050 0.027 0.000 0.851 1663 N CB -0.434 38.072 38.487 0.032 0.000 0.976 1663 N HN 0.345 nan 8.380 nan 0.000 0.465 1664 G N -0.820 108.015 108.800 0.057 0.000 2.179 1664 G HA2 -0.314 3.646 3.960 -0.001 0.000 0.260 1664 G HA3 -0.314 3.646 3.960 -0.001 0.000 0.260 1664 G C -0.018 175.018 174.900 0.226 0.000 0.977 1664 G CA 0.160 45.327 45.100 0.112 0.000 0.641 1664 G HN 0.483 nan 8.290 nan 0.000 0.533 1665 N N -0.036 118.753 118.700 0.149 0.000 2.366 1665 N HA 0.649 5.388 4.740 -0.001 0.000 0.277 1665 N C 0.292 175.895 175.510 0.156 0.000 1.275 1665 N CA -0.245 52.887 53.050 0.137 0.000 0.964 1665 N CB 0.382 38.923 38.487 0.090 0.000 1.167 1665 N HN 0.110 nan 8.380 nan 0.000 0.568 1666 I N 0.061 120.700 120.570 0.115 0.000 2.436 1666 I HA 0.384 4.554 4.170 -0.001 0.000 0.289 1666 I C 0.734 176.907 176.117 0.094 0.000 1.010 1666 I CA -0.658 60.710 61.300 0.114 0.000 1.098 1666 I CB 0.667 38.713 38.000 0.077 0.000 1.266 1666 I HN 0.363 nan 8.210 nan 0.000 0.434 1667 G N 5.606 114.493 108.800 0.145 0.000 2.410 1667 G HA2 0.648 4.608 3.960 -0.001 0.000 0.330 1667 G HA3 0.648 4.608 3.960 -0.001 0.000 0.330 1667 G C -1.476 173.514 174.900 0.150 0.000 1.142 1667 G CA -0.350 44.847 45.100 0.162 0.000 0.902 1667 G HN 0.445 nan 8.290 nan 0.000 0.491 1668 L N 1.409 122.661 121.223 0.049 0.000 2.505 1668 L HA 0.679 5.018 4.340 -0.001 0.000 0.266 1668 L C -1.653 175.351 176.870 0.223 0.000 0.954 1668 L CA -0.878 54.056 54.840 0.156 0.000 0.852 1668 L CB 2.139 44.287 42.059 0.149 0.000 1.282 1668 L HN 0.466 nan 8.230 nan 0.000 0.403 1669 L N 6.334 127.718 121.223 0.269 0.000 2.325 1669 L HA 0.733 5.072 4.340 -0.001 0.000 0.281 1669 L C -1.402 175.562 176.870 0.157 0.000 1.004 1669 L CA -0.218 54.735 54.840 0.189 0.000 0.823 1669 L CB 1.241 43.407 42.059 0.179 0.000 1.236 1669 L HN 0.640 nan 8.230 nan 0.000 0.415 1670 Y N 0.967 121.270 120.300 0.005 0.000 2.553 1670 Y HA 0.612 5.161 4.550 -0.001 0.000 0.347 1670 Y C -0.778 175.065 175.900 -0.095 0.000 1.019 1670 Y CA -1.172 56.855 58.100 -0.123 0.000 1.032 1670 Y CB 1.100 39.432 38.460 -0.214 0.000 1.284 1670 Y HN 0.580 nan 8.280 nan 0.000 0.466 1671 E N 1.631 121.830 120.200 -0.001 0.000 1.865 1671 E HA 0.223 4.572 4.350 -0.001 0.000 0.269 1671 E C 0.325 177.075 176.600 0.251 0.000 1.177 1671 E CA 0.038 56.480 56.400 0.069 0.000 0.932 1671 E CB 0.713 30.470 29.700 0.096 0.000 1.066 1671 E HN 1.010 nan 8.360 nan 0.000 0.405 1672 G N 2.702 111.672 108.800 0.283 0.000 3.042 1672 G HA2 -0.057 3.902 3.960 -0.001 0.000 0.212 1672 G HA3 -0.057 3.902 3.960 -0.001 0.000 0.212 1672 G C 0.620 175.736 174.900 0.360 0.000 1.166 1672 G CA 0.194 45.578 45.100 0.474 0.000 0.767 1672 G HN 0.469 nan 8.290 nan 0.000 0.546 1673 T N -4.053 110.604 114.554 0.172 0.000 2.901 1673 T HA 0.566 4.916 4.350 -0.001 0.000 0.293 1673 T C -2.301 172.249 174.700 -0.251 0.000 1.084 1673 T CA -1.618 60.412 62.100 -0.116 0.000 1.008 1673 T CB 2.740 71.561 68.868 -0.079 0.000 1.170 1673 T HN -0.221 nan 8.240 nan 0.000 0.509 1674 P HA -0.013 nan 4.420 nan 0.000 0.215 1674 P C 0.884 178.117 177.300 -0.111 0.000 1.157 1674 P CA 1.383 64.270 63.100 -0.356 0.000 0.868 1674 P CB 0.102 31.579 31.700 -0.372 0.000 0.788 1675 S N -4.626 111.017 115.700 -0.094 0.000 3.029 1675 S HA 0.283 4.752 4.470 -0.001 0.000 0.244 1675 S C 0.299 174.904 174.600 0.008 0.000 0.814 1675 S CA -0.483 57.692 58.200 -0.042 0.000 1.148 1675 S CB -0.266 62.897 63.200 -0.062 0.000 1.253 1675 S HN -0.121 nan 8.310 nan 0.000 0.555 1676 E N 1.951 122.163 120.200 0.020 0.000 3.076 1676 E HA 0.441 4.791 4.350 -0.001 0.000 0.279 1676 E C -0.651 176.012 176.600 0.106 0.000 0.945 1676 E CA -0.175 56.269 56.400 0.073 0.000 1.046 1676 E CB -0.330 29.389 29.700 0.032 0.000 2.828 1676 E HN 0.341 nan 8.360 nan 0.000 0.582 1677 E N 1.069 121.303 120.200 0.056 0.000 2.316 1677 E HA 0.212 4.561 4.350 -0.001 0.000 0.275 1677 E C -0.596 175.986 176.600 -0.030 0.000 1.029 1677 E CA 0.241 56.657 56.400 0.027 0.000 0.871 1677 E CB 0.469 30.166 29.700 -0.004 0.000 1.022 1677 E HN 0.125 nan 8.360 nan 0.000 0.418 1678 M N 1.906 121.464 119.600 -0.071 0.000 2.149 1678 M HA 0.334 4.813 4.480 -0.001 0.000 0.342 1678 M C -0.580 175.564 176.300 -0.260 0.000 1.068 1678 M CA -0.440 54.783 55.300 -0.129 0.000 0.991 1678 M CB 1.382 33.974 32.600 -0.014 0.000 1.596 1678 M HN 0.270 nan 8.290 nan 0.000 0.439 1679 S N 2.667 118.078 115.700 -0.482 0.000 2.489 1679 S HA 0.589 5.059 4.470 -0.001 0.000 0.291 1679 S C -1.124 173.200 174.600 -0.459 0.000 1.151 1679 S CA -0.517 57.346 58.200 -0.562 0.000 1.082 1679 S CB 1.365 64.042 63.200 -0.872 0.000 1.019 1679 S HN 0.539 nan 8.310 nan 0.000 0.492 1680 Y N 4.337 124.449 120.300 -0.313 0.000 2.352 1680 Y HA 0.723 5.272 4.550 -0.001 0.000 0.339 1680 Y C -0.607 175.303 175.900 0.018 0.000 0.992 1680 Y CA -1.082 56.940 58.100 -0.130 0.000 1.100 1680 Y CB 0.558 38.902 38.460 -0.195 0.000 1.192 1680 Y HN 0.680 nan 8.280 nan 0.000 0.458 1681 I N 2.292 122.457 120.570 -0.675 0.000 2.969 1681 I HA 0.645 4.815 4.170 -0.001 0.000 0.307 1681 I C -1.495 174.198 176.117 -0.707 0.000 1.149 1681 I CA -1.116 59.880 61.300 -0.506 0.000 1.008 1681 I CB 2.472 40.412 38.000 -0.101 0.000 1.232 1681 I HN 0.676 nan 8.210 nan 0.000 0.435 1682 E N 5.372 125.362 120.200 -0.350 0.000 2.183 1682 E HA 0.676 5.026 4.350 -0.001 0.000 0.271 1682 E C -1.471 175.071 176.600 -0.097 0.000 0.919 1682 E CA -0.939 55.369 56.400 -0.153 0.000 0.781 1682 E CB 1.709 31.406 29.700 -0.005 0.000 1.140 1682 E HN 0.722 nan 8.360 nan 0.000 0.402 1683 M N 2.858 122.439 119.600 -0.032 0.000 2.518 1683 M HA 0.440 4.920 4.480 -0.001 0.000 0.300 1683 M C -0.728 175.606 176.300 0.058 0.000 1.175 1683 M CA -1.314 53.990 55.300 0.007 0.000 0.890 1683 M CB 1.720 34.389 32.600 0.116 0.000 1.710 1683 M HN 0.433 nan 8.290 nan 0.000 0.453 1684 N N 1.288 120.038 118.700 0.083 0.000 2.518 1684 N HA 0.463 5.203 4.740 -0.001 0.000 0.284 1684 N C -0.114 175.437 175.510 0.069 0.000 1.230 1684 N CA -0.823 52.272 53.050 0.075 0.000 0.941 1684 N CB 0.898 39.420 38.487 0.058 0.000 1.219 1684 N HN 0.666 nan 8.380 nan 0.000 0.560 1685 L N -0.073 121.154 121.223 0.006 0.000 2.217 1685 L HA 0.086 4.426 4.340 -0.001 0.000 0.211 1685 L C 2.354 179.169 176.870 -0.092 0.000 1.107 1685 L CA 1.353 56.143 54.840 -0.083 0.000 0.783 1685 L CB -0.840 41.144 42.059 -0.125 0.000 0.919 1685 L HN 0.800 nan 8.230 nan 0.000 0.442 1686 K N -1.121 119.264 120.400 -0.024 0.000 2.063 1686 K HA -0.283 4.037 4.320 -0.001 0.000 0.208 1686 K C 2.341 178.946 176.600 0.007 0.000 1.048 1686 K CA 1.719 57.993 56.287 -0.020 0.000 0.928 1686 K CB -0.343 32.168 32.500 0.019 0.000 0.713 1686 K HN 0.249 nan 8.250 nan 0.000 0.442 1687 Y N 1.420 121.684 120.300 -0.059 0.000 2.114 1687 Y HA -0.171 4.378 4.550 -0.001 0.000 0.284 1687 Y C 1.709 177.572 175.900 -0.062 0.000 1.143 1687 Y CA 1.608 59.679 58.100 -0.049 0.000 1.135 1687 Y CB -0.319 38.118 38.460 -0.037 0.000 0.980 1687 Y HN 0.015 nan 8.280 nan 0.000 0.499 1688 L N 0.025 121.105 121.223 -0.238 0.000 2.191 1688 L HA -0.178 4.162 4.340 -0.001 0.000 0.212 1688 L C 1.856 178.540 176.870 -0.310 0.000 1.103 1688 L CA 1.627 56.266 54.840 -0.335 0.000 0.769 1688 L CB -0.407 41.563 42.059 -0.148 0.000 0.908 1688 L HN 0.303 nan 8.230 nan 0.000 0.438 1689 E N -0.847 119.141 120.200 -0.353 0.000 2.479 1689 E HA -0.054 4.295 4.350 -0.001 0.000 0.193 1689 E C 2.005 178.506 176.600 -0.165 0.000 1.049 1689 E CA 0.639 56.754 56.400 -0.475 0.000 0.870 1689 E CB 0.245 29.484 29.700 -0.769 0.000 0.944 1689 E HN 0.439 nan 8.360 nan 0.000 0.492 1690 S N -0.225 115.380 115.700 -0.158 0.000 2.489 1690 S HA 0.105 4.574 4.470 -0.001 0.000 0.228 1690 S C 0.925 175.497 174.600 -0.047 0.000 0.995 1690 S CA 0.354 58.507 58.200 -0.080 0.000 0.934 1690 S CB 0.471 63.630 63.200 -0.069 0.000 0.771 1690 S HN 0.208 nan 8.310 nan 0.000 0.522 1691 G N 0.000 108.763 108.800 -0.062 0.000 5.446 1691 G HA2 0.000 3.960 3.960 -0.001 0.000 0.244 1691 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 1691 G CA 0.000 nan 45.100 nan 0.000 0.502 1691 G HN 0.000 nan 8.290 nan 0.000 0.925