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 3gd7_1_A DATA FIRST_RESID 1202 DATA SEQUENCE DIWPSGGQMT VKDLTAKYTE GGNAILENIS FSISPGQRVG LLGRTGSGKS DATA SEQUENCE TLLSAFLRLL NTEGEIQIDG VSWDSITLEQ WRKAFGVIPQ KVFIFSGTFR DATA SEQUENCE KNLDPNAAHS DQEIWKVADE VGLRSVIEQF PGKLDFVLVD GGCVLSHGHK DATA SEQUENCE QLMCLARSVL SKAKILLLDE PSAHLDPVTY QIIRRTLKQA FADCTVILCE DATA SEQUENCE ARIEAMLECD QFLVIEENKV RQYDSILELY HYPADRFVAG FIGSPKMNFL DATA SEQUENCE PVKVTATAID QVQVELPMPN RQQVWLPVES RDVQVGANMS LGIRPEHLLP DATA SEQUENCE SDIADVILEG EVQVVEQLGN ETQIHIQIPS IRQNLVYRQN DVVLVEEGAT DATA SEQUENCE FAIGLPPERC HLFREDGTAC RRLHKEPG 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 1202 D HA 0.000 nan 4.640 nan 0.000 0.175 1202 D C 0.000 176.370 176.300 0.117 0.000 2.045 1202 D CA 0.000 54.046 54.000 0.077 0.000 0.868 1202 D CB 0.000 40.838 40.800 0.064 0.000 0.688 1203 I N 1.650 122.290 120.570 0.116 0.000 2.379 1203 I HA 0.390 4.560 4.170 0.000 0.000 0.290 1203 I C -0.627 175.613 176.117 0.205 0.000 1.063 1203 I CA -0.114 61.262 61.300 0.127 0.000 1.351 1203 I CB 0.536 38.580 38.000 0.073 0.000 1.410 1203 I HN 0.392 nan 8.210 nan 0.000 0.505 1204 W N 9.926 131.225 121.300 -0.002 0.000 3.097 1204 W HA 0.528 5.188 4.660 0.000 0.000 0.335 1204 W C -2.751 173.738 176.519 -0.050 0.000 1.114 1204 W CA -1.808 55.526 57.345 -0.017 0.000 1.231 1204 W CB 1.379 30.844 29.460 0.008 0.000 1.388 1204 W HN 0.192 nan 8.180 nan 0.000 0.485 1205 P HA 0.296 nan 4.420 nan 0.000 0.272 1205 P C -0.079 177.057 177.300 -0.273 0.000 1.240 1205 P CA -0.037 62.568 63.100 -0.825 0.000 0.791 1205 P CB 1.582 32.743 31.700 -0.898 0.000 0.978 1206 S N 0.058 115.682 115.700 -0.126 0.000 2.541 1206 S HA 0.131 4.601 4.470 0.000 0.000 0.219 1206 S C 1.743 176.303 174.600 -0.066 0.000 1.025 1206 S CA 0.829 59.002 58.200 -0.045 0.000 0.917 1206 S CB -0.558 62.658 63.200 0.027 0.000 0.859 1206 S HN 0.664 nan 8.310 nan 0.000 0.584 1207 G N -0.379 108.384 108.800 -0.063 0.000 2.724 1207 G HA2 0.443 4.403 3.960 0.000 0.000 0.205 1207 G HA3 0.443 4.403 3.960 0.000 0.000 0.205 1207 G C 0.800 175.646 174.900 -0.091 0.000 1.112 1207 G CA 0.420 45.486 45.100 -0.058 0.000 0.793 1207 G HN 0.992 nan 8.290 nan 0.000 0.526 1208 G N -0.453 108.270 108.800 -0.127 0.000 2.151 1208 G HA2 -0.170 3.790 3.960 0.000 0.000 0.156 1208 G HA3 -0.170 3.790 3.960 0.000 0.000 0.156 1208 G C 0.098 174.932 174.900 -0.110 0.000 1.017 1208 G CA 0.228 45.226 45.100 -0.169 0.000 0.686 1208 G HN 0.706 nan 8.290 nan 0.000 0.503 1209 Q N 0.329 120.094 119.800 -0.057 0.000 2.244 1209 Q HA 0.606 4.946 4.340 0.000 0.000 0.278 1209 Q C 0.256 176.254 176.000 -0.003 0.000 1.093 1209 Q CA 0.423 56.219 55.803 -0.011 0.000 0.916 1209 Q CB 0.352 29.103 28.738 0.021 0.000 1.159 1209 Q HN 0.517 nan 8.270 nan 0.000 0.384 1210 M N 3.843 123.448 119.600 0.008 0.000 2.259 1210 M HA 0.492 4.972 4.480 0.000 0.000 0.304 1210 M C -1.374 174.954 176.300 0.046 0.000 1.019 1210 M CA -0.225 55.091 55.300 0.026 0.000 0.922 1210 M CB 2.114 34.716 32.600 0.004 0.000 1.600 1210 M HN 0.671 nan 8.290 nan 0.000 0.433 1211 T N 3.507 118.069 114.554 0.013 0.000 2.879 1211 T HA 0.556 4.906 4.350 0.000 0.000 0.290 1211 T C -1.077 173.520 174.700 -0.170 0.000 0.993 1211 T CA -0.596 61.474 62.100 -0.051 0.000 0.975 1211 T CB 1.719 70.574 68.868 -0.022 0.000 0.981 1211 T HN 0.405 nan 8.240 nan 0.000 0.439 1212 V N 2.726 122.431 119.914 -0.349 0.000 2.409 1212 V HA 0.838 4.958 4.120 0.000 0.000 0.291 1212 V C 0.075 175.959 176.094 -0.349 0.000 1.020 1212 V CA -0.826 61.178 62.300 -0.492 0.000 0.848 1212 V CB 1.263 32.482 31.823 -1.007 0.000 0.990 1212 V HN 1.028 nan 8.190 nan 0.000 0.430 1213 K N 1.807 122.065 120.400 -0.236 0.000 2.502 1213 K HA 0.584 4.904 4.320 0.000 0.000 0.254 1213 K C -0.073 176.472 176.600 -0.093 0.000 0.947 1213 K CA -0.500 55.707 56.287 -0.133 0.000 0.834 1213 K CB 0.647 33.097 32.500 -0.084 0.000 1.112 1213 K HN 0.835 nan 8.250 nan 0.000 0.427 1214 D N 0.527 120.888 120.400 -0.065 0.000 2.737 1214 D HA -0.162 4.478 4.640 0.000 0.000 0.238 1214 D C -0.183 176.108 176.300 -0.016 0.000 1.157 1214 D CA 0.792 54.776 54.000 -0.026 0.000 0.694 1214 D CB -1.058 39.737 40.800 -0.008 0.000 1.021 1214 D HN 0.651 nan 8.370 nan 0.000 0.420 1215 L N 0.713 121.913 121.223 -0.038 0.000 2.319 1215 L HA 0.380 4.720 4.340 0.000 0.000 0.280 1215 L C -0.003 176.875 176.870 0.013 0.000 1.099 1215 L CA 0.248 55.082 54.840 -0.010 0.000 0.828 1215 L CB 0.697 42.714 42.059 -0.070 0.000 1.150 1215 L HN 0.018 nan 8.230 nan 0.000 0.442 1216 T N 4.210 118.783 114.554 0.032 0.000 2.841 1216 T HA 0.744 5.094 4.350 0.000 0.000 0.283 1216 T C -0.654 174.044 174.700 -0.003 0.000 1.000 1216 T CA -0.538 61.569 62.100 0.011 0.000 0.977 1216 T CB 1.735 70.608 68.868 0.009 0.000 0.979 1216 T HN 0.679 nan 8.240 nan 0.000 0.446 1217 A N 3.267 126.066 122.820 -0.035 0.000 2.374 1217 A HA 0.821 5.141 4.320 0.000 0.000 0.305 1217 A C -0.757 176.759 177.584 -0.113 0.000 1.053 1217 A CA -0.889 51.093 52.037 -0.091 0.000 0.726 1217 A CB 1.239 20.159 19.000 -0.133 0.000 1.229 1217 A HN 0.741 nan 8.150 nan 0.000 0.431 1218 K N 0.921 121.234 120.400 -0.146 0.000 2.435 1218 K HA 0.466 4.786 4.320 0.000 0.000 0.251 1218 K C -0.733 175.758 176.600 -0.181 0.000 0.954 1218 K CA -0.560 55.666 56.287 -0.100 0.000 0.820 1218 K CB 1.816 34.298 32.500 -0.031 0.000 1.292 1218 K HN 0.660 nan 8.250 nan 0.000 0.436 1219 Y N 0.189 120.481 120.300 -0.014 0.000 2.397 1219 Y HA -0.028 4.522 4.550 0.000 0.000 0.292 1219 Y C 1.038 176.929 175.900 -0.015 0.000 1.115 1219 Y CA 0.483 58.575 58.100 -0.014 0.000 1.208 1219 Y CB 0.953 39.405 38.460 -0.012 0.000 1.046 1219 Y HN 0.511 nan 8.280 nan 0.000 0.552 1220 T N -1.655 112.977 114.554 0.129 0.000 2.840 1220 T HA 0.547 4.897 4.350 0.000 0.000 0.287 1220 T C -0.391 174.327 174.700 0.030 0.000 0.991 1220 T CA -0.700 61.438 62.100 0.064 0.000 0.964 1220 T CB 1.320 70.221 68.868 0.056 0.000 0.954 1220 T HN 0.205 nan 8.240 nan 0.000 0.438 1221 E N 1.140 121.346 120.200 0.009 0.000 2.606 1221 E HA 0.420 4.770 4.350 0.000 0.000 0.248 1221 E C 1.235 177.837 176.600 0.003 0.000 1.005 1221 E CA -0.010 56.388 56.400 -0.003 0.000 0.946 1221 E CB -1.186 28.506 29.700 -0.012 0.000 0.928 1221 E HN 2.351 nan 8.360 nan 0.000 0.494 1222 G N 1.445 110.246 108.800 0.003 0.000 2.325 1222 G HA2 0.336 4.296 3.960 0.000 0.000 0.248 1222 G HA3 0.336 4.296 3.960 0.000 0.000 0.248 1222 G C 0.401 175.309 174.900 0.013 0.000 1.108 1222 G CA 0.277 45.380 45.100 0.005 0.000 0.881 1222 G HN 1.773 nan 8.290 nan 0.000 0.494 1223 G N -0.682 108.129 108.800 0.019 0.000 2.704 1223 G HA2 0.589 4.549 3.960 0.000 0.000 0.293 1223 G HA3 0.589 4.549 3.960 0.000 0.000 0.293 1223 G C -0.589 174.329 174.900 0.030 0.000 1.421 1223 G CA -0.853 44.264 45.100 0.029 0.000 0.870 1223 G HN 0.361 nan 8.290 nan 0.000 0.492 1224 N N 0.377 119.097 118.700 0.033 0.000 2.454 1224 N HA 0.427 5.167 4.740 0.000 0.000 0.260 1224 N C 0.569 176.101 175.510 0.038 0.000 1.218 1224 N CA 0.447 53.515 53.050 0.029 0.000 0.904 1224 N CB 1.268 39.769 38.487 0.025 0.000 1.065 1224 N HN 0.774 nan 8.380 nan 0.000 0.462 1225 A N 2.648 125.481 122.820 0.022 0.000 2.451 1225 A HA 0.151 4.472 4.320 0.000 0.000 0.266 1225 A C 1.021 178.618 177.584 0.022 0.000 1.119 1225 A CA -0.260 51.786 52.037 0.015 0.000 0.786 1225 A CB -0.265 18.738 19.000 0.005 0.000 1.061 1225 A HN 0.720 nan 8.150 nan 0.000 0.503 1226 I N 2.131 122.719 120.570 0.030 0.000 2.584 1226 I HA 0.004 4.175 4.170 0.000 0.000 0.255 1226 I C 0.380 176.506 176.117 0.015 0.000 1.145 1226 I CA 1.091 62.414 61.300 0.039 0.000 1.462 1226 I CB -0.240 37.813 38.000 0.089 0.000 1.102 1226 I HN 0.516 nan 8.210 nan 0.000 0.433 1227 L N 1.059 122.282 121.223 0.001 0.000 2.372 1227 L HA 0.487 4.827 4.340 0.000 0.000 0.274 1227 L C -0.499 176.375 176.870 0.006 0.000 0.988 1227 L CA -0.334 54.508 54.840 0.003 0.000 0.833 1227 L CB 1.855 43.910 42.059 -0.008 0.000 1.236 1227 L HN 0.063 nan 8.230 nan 0.000 0.410 1228 E N 3.047 123.256 120.200 0.015 0.000 2.199 1228 E HA 0.275 4.625 4.350 0.000 0.000 0.265 1228 E C -0.573 176.039 176.600 0.020 0.000 0.882 1228 E CA -0.704 55.704 56.400 0.014 0.000 0.759 1228 E CB 1.115 30.822 29.700 0.012 0.000 1.148 1228 E HN 0.608 nan 8.360 nan 0.000 0.412 1229 N N 2.884 121.594 118.700 0.016 0.000 2.678 1229 N HA -0.223 4.517 4.740 0.000 0.000 0.268 1229 N C -1.013 174.510 175.510 0.022 0.000 1.010 1229 N CA 0.525 53.584 53.050 0.014 0.000 0.784 1229 N CB -0.869 37.626 38.487 0.014 0.000 0.905 1229 N HN 0.458 nan 8.380 nan 0.000 0.552 1230 I N 0.567 121.150 120.570 0.021 0.000 2.353 1230 I HA 0.274 4.444 4.170 0.000 0.000 0.293 1230 I C 0.054 176.166 176.117 -0.007 0.000 0.992 1230 I CA -0.277 61.055 61.300 0.053 0.000 1.268 1230 I CB 1.407 39.469 38.000 0.104 0.000 1.387 1230 I HN 0.120 nan 8.210 nan 0.000 0.478 1231 S N 6.639 122.361 115.700 0.037 0.000 2.614 1231 S HA 0.718 5.189 4.470 0.000 0.000 0.288 1231 S C -0.890 173.762 174.600 0.088 0.000 1.137 1231 S CA -0.570 57.602 58.200 -0.048 0.000 0.992 1231 S CB 1.297 64.484 63.200 -0.023 0.000 1.026 1231 S HN 0.475 nan 8.310 nan 0.000 0.486 1232 F N -0.586 119.391 119.950 0.045 0.000 2.711 1232 F HA 0.883 5.410 4.527 0.000 0.000 0.313 1232 F C -0.630 175.201 175.800 0.051 0.000 1.141 1232 F CA -0.972 57.060 58.000 0.054 0.000 0.941 1232 F CB 1.281 40.326 39.000 0.076 0.000 1.349 1232 F HN 0.388 nan 8.300 nan 0.000 0.464 1233 S N 1.180 117.082 115.700 0.336 0.000 2.614 1233 S HA 0.790 5.260 4.470 0.000 0.000 0.288 1233 S C -1.394 173.339 174.600 0.222 0.000 1.137 1233 S CA -0.501 57.821 58.200 0.203 0.000 0.992 1233 S CB 0.836 64.097 63.200 0.100 0.000 1.026 1233 S HN 0.631 nan 8.310 nan 0.000 0.486 1234 I N 3.535 124.218 120.570 0.188 0.000 2.389 1234 I HA 0.339 4.509 4.170 0.000 0.000 0.288 1234 I C 0.330 176.479 176.117 0.053 0.000 0.999 1234 I CA -0.432 60.937 61.300 0.115 0.000 1.129 1234 I CB 2.096 40.161 38.000 0.109 0.000 1.288 1234 I HN 0.463 nan 8.210 nan 0.000 0.444 1235 S N 6.949 122.669 115.700 0.034 0.000 2.585 1235 S HA 0.242 4.712 4.470 0.000 0.000 0.273 1235 S C -2.315 172.281 174.600 -0.007 0.000 1.339 1235 S CA -0.883 57.327 58.200 0.016 0.000 1.028 1235 S CB 0.299 63.510 63.200 0.017 0.000 0.906 1235 S HN 0.357 nan 8.310 nan 0.000 0.528 1236 P HA 0.120 nan 4.420 nan 0.000 0.264 1236 P C 0.899 178.179 177.300 -0.034 0.000 1.183 1236 P CA 1.075 64.155 63.100 -0.033 0.000 0.763 1236 P CB 0.066 31.752 31.700 -0.024 0.000 0.807 1237 G N 1.236 110.007 108.800 -0.049 0.000 2.189 1237 G HA2 -0.247 3.713 3.960 0.000 0.000 0.267 1237 G HA3 -0.247 3.713 3.960 0.000 0.000 0.267 1237 G C 0.183 175.060 174.900 -0.038 0.000 0.975 1237 G CA -0.285 44.792 45.100 -0.040 0.000 0.644 1237 G HN 0.546 nan 8.290 nan 0.000 0.537 1238 Q N -0.030 119.745 119.800 -0.043 0.000 2.304 1238 Q HA 0.343 4.684 4.340 0.000 0.000 0.260 1238 Q C 0.605 176.566 176.000 -0.066 0.000 0.965 1238 Q CA -0.180 55.596 55.803 -0.046 0.000 0.898 1238 Q CB 1.070 29.786 28.738 -0.037 0.000 1.196 1238 Q HN 0.529 nan 8.270 nan 0.000 0.402 1239 R N 1.821 122.275 120.500 -0.076 0.000 2.207 1239 R HA 0.386 4.726 4.340 0.000 0.000 0.334 1239 R C -1.188 175.017 176.300 -0.158 0.000 1.013 1239 R CA -0.246 55.797 56.100 -0.095 0.000 0.858 1239 R CB 0.562 30.817 30.300 -0.075 0.000 1.094 1239 R HN 0.284 nan 8.270 nan 0.000 0.457 1240 V N 3.909 123.734 119.914 -0.148 0.000 2.495 1240 V HA 0.530 4.650 4.120 0.000 0.000 0.298 1240 V C 0.503 176.493 176.094 -0.173 0.000 1.031 1240 V CA -0.840 61.343 62.300 -0.194 0.000 0.871 1240 V CB 1.832 33.581 31.823 -0.122 0.000 0.988 1240 V HN 0.931 nan 8.190 nan 0.000 0.432 1241 G N 3.865 112.496 108.800 -0.282 0.000 2.319 1241 G HA2 0.547 4.507 3.960 0.000 0.000 0.308 1241 G HA3 0.547 4.507 3.960 0.000 0.000 0.308 1241 G C -1.042 173.932 174.900 0.123 0.000 1.117 1241 G CA -0.360 44.725 45.100 -0.026 0.000 0.903 1241 G HN 0.541 nan 8.290 nan 0.000 0.436 1242 L N 3.431 124.718 121.223 0.108 0.000 2.264 1242 L HA 0.692 5.032 4.340 0.000 0.000 0.289 1242 L C -0.423 176.492 176.870 0.075 0.000 1.044 1242 L CA -0.457 54.430 54.840 0.077 0.000 0.807 1242 L CB 0.847 42.940 42.059 0.057 0.000 1.192 1242 L HN 0.410 nan 8.230 nan 0.000 0.425 1243 L N 4.221 125.461 121.223 0.028 0.000 2.327 1243 L HA 1.062 5.402 4.340 0.000 0.000 0.258 1243 L C 0.025 176.846 176.870 -0.083 0.000 1.024 1243 L CA -0.818 53.977 54.840 -0.075 0.000 0.825 1243 L CB 2.101 44.023 42.059 -0.229 0.000 1.386 1243 L HN 0.708 nan 8.230 nan 0.000 0.417 1244 G N -0.101 108.574 108.800 -0.207 0.000 2.361 1244 G HA2 0.232 4.192 3.960 0.000 0.000 0.299 1244 G HA3 0.232 4.192 3.960 0.000 0.000 0.299 1244 G C -1.670 172.601 174.900 -1.047 0.000 1.544 1244 G CA -1.055 43.713 45.100 -0.554 0.000 0.860 1244 G HN 0.451 nan 8.290 nan 0.000 0.610 1245 R N 0.011 119.724 120.500 -1.311 0.000 2.619 1245 R HA 0.225 4.565 4.340 0.000 0.000 0.268 1245 R C 0.969 177.032 176.300 -0.396 0.000 0.990 1245 R CA 0.786 56.340 56.100 -0.911 0.000 1.092 1245 R CB 0.357 30.333 30.300 -0.539 0.000 0.935 1245 R HN 0.540 nan 8.270 nan 0.000 0.415 1246 T N 1.645 116.076 114.554 -0.205 0.000 2.734 1246 T HA 0.178 4.528 4.350 0.000 0.000 0.269 1246 T C 1.067 175.717 174.700 -0.084 0.000 0.964 1246 T CA 1.209 63.259 62.100 -0.084 0.000 1.226 1246 T CB -0.416 68.446 68.868 -0.010 0.000 0.910 1246 T HN 0.776 nan 8.240 nan 0.000 0.534 1247 G N 3.127 111.881 108.800 -0.077 0.000 2.192 1247 G HA2 -0.260 3.700 3.960 0.000 0.000 0.193 1247 G HA3 -0.260 3.700 3.960 0.000 0.000 0.193 1247 G C 1.060 175.924 174.900 -0.061 0.000 0.999 1247 G CA 0.500 45.567 45.100 -0.056 0.000 0.659 1247 G HN 1.158 nan 8.290 nan 0.000 0.503 1248 S N -0.185 115.455 115.700 -0.100 0.000 2.453 1248 S HA 0.411 4.881 4.470 0.000 0.000 0.231 1248 S C 1.878 176.450 174.600 -0.046 0.000 1.005 1248 S CA 1.365 59.508 58.200 -0.097 0.000 0.949 1248 S CB 0.263 63.361 63.200 -0.170 0.000 0.774 1248 S HN 2.315 nan 8.310 nan 0.000 0.510 1249 G N 1.057 109.842 108.800 -0.024 0.000 2.337 1249 G HA2 -0.147 3.813 3.960 0.000 0.000 0.134 1249 G HA3 -0.147 3.813 3.960 0.000 0.000 0.134 1249 G C 0.380 175.281 174.900 0.002 0.000 1.052 1249 G CA 0.048 45.155 45.100 0.012 0.000 0.737 1249 G HN 0.413 nan 8.290 nan 0.000 0.485 1250 K N 0.244 120.644 120.400 -0.001 0.000 1.984 1250 K HA 0.015 4.336 4.320 0.000 0.000 0.209 1250 K C 2.664 179.283 176.600 0.030 0.000 1.046 1250 K CA 1.623 57.917 56.287 0.011 0.000 0.934 1250 K CB -0.247 32.262 32.500 0.015 0.000 0.717 1250 K HN 0.249 nan 8.250 nan 0.000 0.438 1251 S N 0.556 116.283 115.700 0.044 0.000 2.370 1251 S HA -0.157 4.314 4.470 0.000 0.000 0.226 1251 S C 1.988 176.619 174.600 0.052 0.000 1.033 1251 S CA 1.808 60.043 58.200 0.058 0.000 1.011 1251 S CB -0.448 62.794 63.200 0.070 0.000 0.852 1251 S HN 0.360 nan 8.310 nan 0.000 0.457 1252 T N 2.809 117.400 114.554 0.062 0.000 2.684 1252 T HA -0.066 4.285 4.350 0.000 0.000 0.267 1252 T C 1.711 176.348 174.700 -0.105 0.000 1.036 1252 T CA 0.976 63.085 62.100 0.015 0.000 1.148 1252 T CB -0.480 68.414 68.868 0.042 0.000 0.863 1252 T HN 0.234 nan 8.240 nan 0.000 0.436 1253 L N 0.502 121.653 121.223 -0.120 0.000 2.042 1253 L HA -0.107 4.233 4.340 0.000 0.000 0.210 1253 L C 2.377 178.923 176.870 -0.540 0.000 1.076 1253 L CA 1.626 56.288 54.840 -0.298 0.000 0.749 1253 L CB -0.410 41.554 42.059 -0.157 0.000 0.893 1253 L HN 0.343 nan 8.230 nan 0.000 0.432 1254 L N -1.327 119.811 121.223 -0.141 0.000 2.093 1254 L HA -0.194 4.146 4.340 0.000 0.000 0.208 1254 L C 2.593 179.478 176.870 0.026 0.000 1.085 1254 L CA 1.038 55.940 54.840 0.103 0.000 0.755 1254 L CB -0.508 41.650 42.059 0.165 0.000 0.904 1254 L HN 0.161 nan 8.230 nan 0.000 0.435 1255 S N -0.087 115.593 115.700 -0.033 0.000 2.399 1255 S HA -0.130 4.340 4.470 0.000 0.000 0.231 1255 S C 2.194 176.760 174.600 -0.057 0.000 1.022 1255 S CA 1.131 59.315 58.200 -0.027 0.000 0.983 1255 S CB -0.197 62.994 63.200 -0.014 0.000 0.803 1255 S HN 0.491 nan 8.310 nan 0.000 0.480 1256 A N 0.882 123.610 122.820 -0.153 0.000 1.898 1256 A HA 0.001 4.321 4.320 0.000 0.000 0.216 1256 A C 1.798 179.448 177.584 0.110 0.000 1.181 1256 A CA 1.125 53.108 52.037 -0.090 0.000 0.620 1256 A CB -0.959 17.925 19.000 -0.193 0.000 0.819 1256 A HN 0.535 nan 8.150 nan 0.000 0.442 1257 F N 0.024 120.052 119.950 0.131 0.000 2.154 1257 F HA -0.166 4.362 4.527 0.000 0.000 0.301 1257 F C 1.875 177.732 175.800 0.094 0.000 1.087 1257 F CA 0.948 59.002 58.000 0.089 0.000 1.274 1257 F CB -0.252 38.604 39.000 -0.240 0.000 1.009 1257 F HN 0.112 nan 8.300 nan 0.000 0.485 1258 L N -0.460 120.832 121.223 0.114 0.000 2.567 1258 L HA 0.126 4.466 4.340 0.000 0.000 0.225 1258 L C 0.394 177.389 176.870 0.207 0.000 1.119 1258 L CA 0.130 55.024 54.840 0.089 0.000 0.871 1258 L CB -0.296 41.748 42.059 -0.025 0.000 1.036 1258 L HN 0.094 nan 8.230 nan 0.000 0.459 1259 R N -0.021 120.591 120.500 0.186 0.000 3.267 1259 R HA -0.178 4.162 4.340 0.000 0.000 0.254 1259 R C 0.539 176.834 176.300 -0.009 0.000 0.993 1259 R CA 0.169 56.285 56.100 0.027 0.000 0.670 1259 R CB -2.381 27.855 30.300 -0.106 0.000 1.125 1259 R HN 0.368 nan 8.270 nan 0.000 0.434 1260 L N 0.104 121.323 121.223 -0.006 0.000 2.558 1260 L HA 0.190 4.530 4.340 0.000 0.000 0.225 1260 L C 1.309 178.155 176.870 -0.040 0.000 1.128 1260 L CA 0.505 55.340 54.840 -0.008 0.000 0.868 1260 L CB -0.035 42.034 42.059 0.016 0.000 1.006 1260 L HN 0.356 nan 8.230 nan 0.000 0.454 1261 L N -4.675 116.488 121.223 -0.101 0.000 2.251 1261 L HA 0.602 4.942 4.340 0.000 0.000 0.244 1261 L C -0.917 175.864 176.870 -0.149 0.000 1.095 1261 L CA -1.162 53.584 54.840 -0.157 0.000 0.910 1261 L CB 1.090 42.923 42.059 -0.377 0.000 1.516 1261 L HN -0.279 nan 8.230 nan 0.000 0.429 1262 N N 1.148 119.760 118.700 -0.146 0.000 2.452 1262 N HA 0.400 5.140 4.740 0.000 0.000 0.266 1262 N C -0.740 174.695 175.510 -0.125 0.000 1.209 1262 N CA 0.268 53.245 53.050 -0.123 0.000 0.929 1262 N CB 0.765 39.199 38.487 -0.088 0.000 1.063 1262 N HN 0.780 nan 8.380 nan 0.000 0.472 1263 T N -0.792 113.685 114.554 -0.128 0.000 2.893 1263 T HA 0.554 4.904 4.350 0.000 0.000 0.293 1263 T C -0.720 173.946 174.700 -0.056 0.000 1.027 1263 T CA -1.038 61.022 62.100 -0.067 0.000 0.988 1263 T CB 2.059 70.919 68.868 -0.014 0.000 1.043 1263 T HN 0.118 nan 8.240 nan 0.000 0.461 1264 E N 0.801 121.021 120.200 0.033 0.000 2.256 1264 E HA 0.775 5.125 4.350 0.000 0.000 0.267 1264 E C 0.428 177.120 176.600 0.153 0.000 0.892 1264 E CA -0.380 56.050 56.400 0.051 0.000 0.775 1264 E CB 1.856 31.565 29.700 0.014 0.000 1.207 1264 E HN 1.329 nan 8.360 nan 0.000 0.420 1265 G N 1.567 110.472 108.800 0.176 0.000 2.362 1265 G HA2 -0.098 3.862 3.960 0.000 0.000 0.517 1265 G HA3 -0.098 3.862 3.960 0.000 0.000 0.517 1265 G C -1.211 173.888 174.900 0.332 0.000 1.256 1265 G CA -0.640 44.568 45.100 0.180 0.000 1.027 1265 G HN 0.496 nan 8.290 nan 0.000 0.491 1266 E N -0.578 119.685 120.200 0.105 0.000 2.224 1266 E HA 0.648 4.998 4.350 0.000 0.000 0.265 1266 E C -0.598 175.701 176.600 -0.502 0.000 0.878 1266 E CA -0.861 55.519 56.400 -0.034 0.000 0.759 1266 E CB 1.244 30.945 29.700 0.003 0.000 1.164 1266 E HN 0.541 nan 8.360 nan 0.000 0.414 1267 I N 3.513 123.356 120.570 -1.211 0.000 2.433 1267 I HA 0.300 4.470 4.170 0.000 0.000 0.292 1267 I C -0.355 175.543 176.117 -0.365 0.000 1.001 1267 I CA -0.745 60.062 61.300 -0.821 0.000 1.119 1267 I CB 1.909 39.343 38.000 -0.942 0.000 1.289 1267 I HN 0.452 nan 8.210 nan 0.000 0.438 1268 Q N 6.041 125.818 119.800 -0.038 0.000 2.353 1268 Q HA 0.672 5.012 4.340 0.000 0.000 0.268 1268 Q C -1.211 174.955 176.000 0.276 0.000 1.045 1268 Q CA -0.691 55.208 55.803 0.161 0.000 0.811 1268 Q CB 3.429 32.217 28.738 0.082 0.000 1.305 1268 Q HN 0.533 nan 8.270 nan 0.000 0.447 1269 I N 2.091 122.932 120.570 0.452 0.000 2.418 1269 I HA 0.195 4.365 4.170 0.000 0.000 0.287 1269 I C -0.943 175.439 176.117 0.442 0.000 1.008 1269 I CA -0.630 60.867 61.300 0.328 0.000 1.104 1269 I CB 1.787 39.875 38.000 0.146 0.000 1.264 1269 I HN 0.616 nan 8.210 nan 0.000 0.438 1270 D N 5.272 125.814 120.400 0.237 0.000 2.697 1270 D HA -0.177 4.463 4.640 0.000 0.000 0.235 1270 D C 1.061 177.502 176.300 0.235 0.000 1.167 1270 D CA 1.786 55.925 54.000 0.231 0.000 0.656 1270 D CB -0.985 39.977 40.800 0.271 0.000 1.025 1270 D HN 1.120 nan 8.370 nan 0.000 0.419 1271 G N -1.656 107.245 108.800 0.167 0.000 2.225 1271 G HA2 -0.210 3.751 3.960 0.000 0.000 0.267 1271 G HA3 -0.210 3.751 3.960 0.000 0.000 0.267 1271 G C 0.217 175.175 174.900 0.097 0.000 1.024 1271 G CA 0.257 45.423 45.100 0.110 0.000 0.784 1271 G HN 0.764 nan 8.290 nan 0.000 0.507 1272 V N 0.409 120.424 119.914 0.169 0.000 2.443 1272 V HA 0.661 4.782 4.120 0.000 0.000 0.293 1272 V C 0.647 176.861 176.094 0.200 0.000 1.021 1272 V CA -0.167 62.186 62.300 0.087 0.000 0.848 1272 V CB 1.631 33.350 31.823 -0.173 0.000 0.998 1272 V HN 0.556 nan 8.190 nan 0.000 0.424 1273 S N 5.053 120.812 115.700 0.098 0.000 2.580 1273 S HA 0.202 4.672 4.470 0.000 0.000 0.274 1273 S C 0.538 175.196 174.600 0.096 0.000 1.329 1273 S CA -0.509 57.750 58.200 0.098 0.000 1.036 1273 S CB 0.401 63.645 63.200 0.072 0.000 0.919 1273 S HN 0.887 nan 8.310 nan 0.000 0.515 1274 W N 4.037 125.099 121.300 -0.398 0.000 3.468 1274 W HA 0.398 5.059 4.660 0.000 0.000 0.352 1274 W C -0.444 175.807 176.519 -0.448 0.000 1.212 1274 W CA -0.719 56.136 57.345 -0.817 0.000 1.770 1274 W CB -1.187 27.249 29.460 -1.707 0.000 1.005 1274 W HN 0.583 nan 8.180 nan 0.000 0.766 1275 D N -0.503 119.863 120.400 -0.055 0.000 2.449 1275 D HA -0.058 4.582 4.640 0.000 0.000 0.255 1275 D C 1.549 177.807 176.300 -0.070 0.000 1.121 1275 D CA 0.777 54.702 54.000 -0.124 0.000 0.830 1275 D CB 0.131 40.874 40.800 -0.095 0.000 1.280 1275 D HN 0.180 nan 8.370 nan 0.000 0.522 1276 S N 0.056 115.734 115.700 -0.038 0.000 2.679 1276 S HA 0.352 4.822 4.470 0.000 0.000 0.233 1276 S C 0.547 175.118 174.600 -0.049 0.000 0.951 1276 S CA -0.293 57.881 58.200 -0.043 0.000 0.973 1276 S CB 0.197 63.370 63.200 -0.044 0.000 0.778 1276 S HN 0.097 nan 8.310 nan 0.000 0.477 1277 I N 1.317 121.870 120.570 -0.027 0.000 2.841 1277 I HA 0.256 4.426 4.170 0.000 0.000 0.298 1277 I C -0.331 175.813 176.117 0.046 0.000 1.304 1277 I CA -0.752 60.555 61.300 0.011 0.000 1.019 1277 I CB 2.481 40.499 38.000 0.029 0.000 1.282 1277 I HN 0.238 nan 8.210 nan 0.000 0.432 1278 T N 2.645 117.241 114.554 0.071 0.000 2.918 1278 T HA 0.238 4.588 4.350 0.000 0.000 0.302 1278 T C 1.346 176.136 174.700 0.150 0.000 1.045 1278 T CA -0.399 61.746 62.100 0.075 0.000 1.114 1278 T CB 0.984 69.893 68.868 0.070 0.000 0.965 1278 T HN 0.532 nan 8.240 nan 0.000 0.540 1279 L N 1.706 122.992 121.223 0.106 0.000 2.010 1279 L HA -0.202 4.139 4.340 0.000 0.000 0.219 1279 L C 3.457 180.477 176.870 0.250 0.000 1.077 1279 L CA 2.553 57.492 54.840 0.165 0.000 0.773 1279 L CB -1.246 40.858 42.059 0.075 0.000 0.892 1279 L HN 1.064 nan 8.230 nan 0.000 0.436 1280 E N -0.457 119.849 120.200 0.176 0.000 2.070 1280 E HA -0.340 4.010 4.350 0.000 0.000 0.197 1280 E C 1.907 178.643 176.600 0.227 0.000 1.004 1280 E CA 1.898 58.401 56.400 0.171 0.000 0.805 1280 E CB -0.823 28.947 29.700 0.118 0.000 0.744 1280 E HN 0.669 nan 8.360 nan 0.000 0.451 1281 Q N -1.552 118.397 119.800 0.249 0.000 2.030 1281 Q HA -0.142 4.199 4.340 0.000 0.000 0.204 1281 Q C 2.231 178.516 176.000 0.475 0.000 0.986 1281 Q CA 1.674 57.664 55.803 0.311 0.000 0.843 1281 Q CB -0.305 28.592 28.738 0.265 0.000 0.904 1281 Q HN 0.854 nan 8.270 nan 0.000 0.420 1282 W N 1.418 122.930 121.300 0.354 0.000 2.338 1282 W HA -0.226 4.435 4.660 0.000 0.000 0.304 1282 W C 1.944 178.766 176.519 0.505 0.000 1.212 1282 W CA 1.404 59.053 57.345 0.507 0.000 1.264 1282 W CB -0.119 29.607 29.460 0.443 0.000 1.142 1282 W HN 0.089 nan 8.180 nan 0.000 0.512 1283 R N 0.952 121.719 120.500 0.444 0.000 2.105 1283 R HA -0.163 4.177 4.340 0.000 0.000 0.239 1283 R C 2.278 178.717 176.300 0.232 0.000 1.135 1283 R CA 1.576 57.850 56.100 0.290 0.000 0.967 1283 R CB -0.362 30.077 30.300 0.232 0.000 0.861 1283 R HN -0.169 nan 8.270 nan 0.000 0.442 1284 K N -0.296 120.219 120.400 0.192 0.000 2.283 1284 K HA 0.040 4.360 4.320 0.000 0.000 0.202 1284 K C 1.710 178.300 176.600 -0.017 0.000 1.048 1284 K CA 1.091 57.443 56.287 0.109 0.000 0.948 1284 K CB -0.168 32.410 32.500 0.130 0.000 0.742 1284 K HN 0.242 nan 8.250 nan 0.000 0.458 1285 A N 0.445 123.176 122.820 -0.147 0.000 2.125 1285 A HA -0.038 4.283 4.320 0.000 0.000 0.219 1285 A C 0.494 177.665 177.584 -0.687 0.000 1.156 1285 A CA 0.711 52.391 52.037 -0.594 0.000 0.671 1285 A CB -0.306 18.016 19.000 -1.131 0.000 0.794 1285 A HN 0.093 nan 8.150 nan 0.000 0.459 1286 F N -1.018 118.754 119.950 -0.297 0.000 2.450 1286 F HA 0.568 5.096 4.527 0.000 0.000 0.332 1286 F C 0.831 176.536 175.800 -0.159 0.000 1.093 1286 F CA -0.603 57.252 58.000 -0.243 0.000 1.003 1286 F CB 1.740 40.619 39.000 -0.202 0.000 1.151 1286 F HN -0.013 nan 8.300 nan 0.000 0.474 1287 G N 2.062 110.865 108.800 0.004 0.000 2.588 1287 G HA2 0.530 4.491 3.960 0.000 0.000 0.312 1287 G HA3 0.530 4.491 3.960 0.000 0.000 0.312 1287 G C -1.435 173.457 174.900 -0.014 0.000 1.257 1287 G CA -0.521 44.555 45.100 -0.041 0.000 0.994 1287 G HN 0.463 nan 8.290 nan 0.000 0.498 1288 V N 3.969 123.895 119.914 0.018 0.000 2.461 1288 V HA 0.414 4.534 4.120 0.000 0.000 0.275 1288 V C 0.055 176.147 176.094 -0.003 0.000 1.047 1288 V CA -0.227 62.083 62.300 0.017 0.000 0.955 1288 V CB 0.907 32.748 31.823 0.029 0.000 0.988 1288 V HN 0.585 nan 8.190 nan 0.000 0.471 1289 I N 7.700 128.264 120.570 -0.011 0.000 2.447 1289 I HA 0.422 4.592 4.170 0.000 0.000 0.287 1289 I C -2.383 173.724 176.117 -0.016 0.000 1.023 1289 I CA -1.917 59.379 61.300 -0.006 0.000 1.083 1289 I CB 2.529 40.525 38.000 -0.007 0.000 1.245 1289 I HN 0.441 nan 8.210 nan 0.000 0.434 1290 P HA 0.199 nan 4.420 nan 0.000 0.277 1290 P C -1.452 175.851 177.300 0.005 0.000 1.240 1290 P CA -0.449 62.659 63.100 0.013 0.000 0.798 1290 P CB 0.928 32.665 31.700 0.062 0.000 0.979 1291 Q N -0.409 119.408 119.800 0.029 0.000 2.194 1291 Q HA 0.644 4.984 4.340 0.000 0.000 0.245 1291 Q C 0.025 176.061 176.000 0.059 0.000 0.993 1291 Q CA -1.158 54.668 55.803 0.038 0.000 0.930 1291 Q CB 0.096 28.860 28.738 0.043 0.000 1.238 1291 Q HN 0.300 nan 8.270 nan 0.000 0.486 1292 K N 0.661 121.098 120.400 0.063 0.000 2.402 1292 K HA 0.307 4.627 4.320 0.000 0.000 0.285 1292 K C -0.388 176.267 176.600 0.093 0.000 1.054 1292 K CA -0.322 56.012 56.287 0.079 0.000 1.001 1292 K CB -0.106 32.432 32.500 0.064 0.000 0.946 1292 K HN 0.411 nan 8.250 nan 0.000 0.473 1293 V N 3.592 123.564 119.914 0.098 0.000 2.455 1293 V HA 0.489 4.609 4.120 0.000 0.000 0.273 1293 V C -0.341 175.836 176.094 0.137 0.000 1.045 1293 V CA -0.254 62.092 62.300 0.077 0.000 0.976 1293 V CB -0.165 31.661 31.823 0.005 0.000 0.993 1293 V HN 0.764 nan 8.190 nan 0.000 0.475 1294 F N 6.756 126.684 119.950 -0.037 0.000 2.547 1294 F HA 0.754 5.281 4.527 0.000 0.000 0.316 1294 F C -0.734 175.009 175.800 -0.097 0.000 1.121 1294 F CA -0.950 56.993 58.000 -0.096 0.000 0.911 1294 F CB 1.458 40.361 39.000 -0.162 0.000 1.179 1294 F HN 0.327 nan 8.300 nan 0.000 0.443 1295 I N 6.431 126.304 120.570 -1.161 0.000 2.466 1295 I HA 0.318 4.488 4.170 0.000 0.000 0.289 1295 I C -0.963 174.442 176.117 -1.188 0.000 1.026 1295 I CA -0.537 60.257 61.300 -0.842 0.000 1.078 1295 I CB 1.421 39.194 38.000 -0.377 0.000 1.249 1295 I HN 0.391 nan 8.210 nan 0.000 0.429 1296 F N 3.372 122.896 119.950 -0.710 0.000 2.471 1296 F HA 0.123 4.650 4.527 0.000 0.000 0.353 1296 F C 1.269 176.905 175.800 -0.273 0.000 1.113 1296 F CA 0.174 57.955 58.000 -0.365 0.000 1.262 1296 F CB 0.606 39.541 39.000 -0.108 0.000 1.146 1296 F HN 0.336 nan 8.300 nan 0.000 0.578 1297 S N 2.182 117.877 115.700 -0.009 0.000 3.065 1297 S HA 0.516 4.986 4.470 0.000 0.000 0.311 1297 S C 0.478 175.066 174.600 -0.019 0.000 1.204 1297 S CA 0.109 58.283 58.200 -0.042 0.000 1.040 1297 S CB -0.672 62.512 63.200 -0.026 0.000 1.436 1297 S HN 0.989 nan 8.310 nan 0.000 0.532 1298 G N 1.651 110.402 108.800 -0.083 0.000 2.341 1298 G HA2 0.415 4.375 3.960 0.000 0.000 0.299 1298 G HA3 0.415 4.375 3.960 0.000 0.000 0.299 1298 G C -0.411 174.377 174.900 -0.186 0.000 1.274 1298 G CA -0.387 44.651 45.100 -0.103 0.000 0.853 1298 G HN 0.497 nan 8.290 nan 0.000 0.493 1299 T N -1.520 112.940 114.554 -0.157 0.000 2.802 1299 T HA 0.365 4.715 4.350 0.000 0.000 0.305 1299 T C 1.136 175.738 174.700 -0.163 0.000 1.053 1299 T CA 0.216 62.228 62.100 -0.148 0.000 1.058 1299 T CB 0.614 69.446 68.868 -0.060 0.000 0.988 1299 T HN 0.330 nan 8.240 nan 0.000 0.539 1300 F N 0.118 120.028 119.950 -0.068 0.000 2.161 1300 F HA -0.003 4.524 4.527 0.000 0.000 0.300 1300 F C 3.013 178.723 175.800 -0.150 0.000 1.089 1300 F CA 1.495 59.430 58.000 -0.109 0.000 1.282 1300 F CB -0.235 38.688 39.000 -0.129 0.000 1.010 1300 F HN 0.575 nan 8.300 nan 0.000 0.485 1301 R N 0.937 121.457 120.500 0.034 0.000 2.091 1301 R HA -0.232 4.108 4.340 0.000 0.000 0.238 1301 R C 2.260 178.507 176.300 -0.089 0.000 1.136 1301 R CA 1.973 58.038 56.100 -0.058 0.000 0.959 1301 R CB -0.263 30.007 30.300 -0.049 0.000 0.856 1301 R HN 0.207 nan 8.270 nan 0.000 0.437 1302 K N 0.077 120.402 120.400 -0.125 0.000 2.103 1302 K HA -0.076 4.244 4.320 0.000 0.000 0.204 1302 K C 1.826 178.224 176.600 -0.337 0.000 1.052 1302 K CA 1.429 57.571 56.287 -0.242 0.000 0.945 1302 K CB -0.043 32.295 32.500 -0.270 0.000 0.722 1302 K HN 0.194 nan 8.250 nan 0.000 0.443 1303 N N 0.631 119.220 118.700 -0.186 0.000 2.205 1303 N HA -0.147 4.593 4.740 0.000 0.000 0.186 1303 N C 1.652 177.171 175.510 0.015 0.000 1.015 1303 N CA 1.297 54.323 53.050 -0.041 0.000 0.862 1303 N CB 0.022 38.526 38.487 0.029 0.000 0.986 1303 N HN 0.268 nan 8.380 nan 0.000 0.429 1304 L N -0.722 120.492 121.223 -0.015 0.000 2.354 1304 L HA 0.081 4.421 4.340 0.000 0.000 0.212 1304 L C 0.243 177.111 176.870 -0.003 0.000 1.091 1304 L CA 0.462 55.300 54.840 -0.004 0.000 0.828 1304 L CB 0.153 42.184 42.059 -0.047 0.000 0.973 1304 L HN -0.104 nan 8.230 nan 0.000 0.461 1305 D N -0.678 119.702 120.400 -0.033 0.000 2.513 1305 D HA 0.189 4.829 4.640 0.000 0.000 0.295 1305 D C -1.963 174.285 176.300 -0.086 0.000 1.202 1305 D CA -1.796 52.219 54.000 0.025 0.000 0.849 1305 D CB 1.022 41.885 40.800 0.104 0.000 1.116 1305 D HN -0.149 nan 8.370 nan 0.000 0.502 1306 P HA -0.019 nan 4.420 nan 0.000 0.218 1306 P C 0.409 177.625 177.300 -0.140 0.000 1.149 1306 P CA 1.009 63.926 63.100 -0.306 0.000 0.817 1306 P CB 0.188 31.696 31.700 -0.320 0.000 0.785 1307 N N -0.557 118.109 118.700 -0.057 0.000 2.398 1307 N HA 0.252 4.992 4.740 0.000 0.000 0.188 1307 N C 0.252 175.727 175.510 -0.058 0.000 1.122 1307 N CA 0.411 53.438 53.050 -0.039 0.000 0.866 1307 N CB -0.135 38.342 38.487 -0.016 0.000 0.970 1307 N HN -0.089 nan 8.380 nan 0.000 0.462 1308 A N 0.491 123.274 122.820 -0.063 0.000 2.610 1308 A HA -0.199 4.121 4.320 0.000 0.000 0.299 1308 A C 1.059 178.585 177.584 -0.096 0.000 1.487 1308 A CA 0.759 52.760 52.037 -0.060 0.000 0.743 1308 A CB -1.884 17.086 19.000 -0.051 0.000 1.070 1308 A HN 0.481 nan 8.150 nan 0.000 0.439 1309 A N -0.554 122.152 122.820 -0.191 0.000 2.503 1309 A HA 0.551 4.871 4.320 0.000 0.000 0.263 1309 A C 0.289 177.535 177.584 -0.563 0.000 1.258 1309 A CA 0.649 52.470 52.037 -0.361 0.000 0.936 1309 A CB 0.114 18.859 19.000 -0.425 0.000 1.070 1309 A HN 0.995 nan 8.150 nan 0.000 0.522 1310 H N -0.546 118.519 119.070 -0.009 0.000 2.806 1310 H HA 0.479 5.035 4.556 0.000 0.000 0.367 1310 H C 0.095 175.420 175.328 -0.006 0.000 1.136 1310 H CA -0.163 55.882 56.048 -0.005 0.000 1.178 1310 H CB 1.741 31.497 29.762 -0.011 0.000 1.718 1310 H HN 0.217 nan 8.280 nan 0.000 0.540 1311 S N 0.761 116.541 115.700 0.132 0.000 2.603 1311 S HA 0.021 4.491 4.470 0.000 0.000 0.268 1311 S C 0.547 175.199 174.600 0.086 0.000 1.317 1311 S CA -0.568 57.684 58.200 0.088 0.000 1.012 1311 S CB 0.980 64.227 63.200 0.077 0.000 0.926 1311 S HN 0.642 nan 8.310 nan 0.000 0.539 1312 D N 1.636 122.085 120.400 0.082 0.000 2.190 1312 D HA -0.054 4.586 4.640 0.000 0.000 0.200 1312 D C 2.600 179.026 176.300 0.210 0.000 0.992 1312 D CA 2.045 56.104 54.000 0.097 0.000 0.854 1312 D CB -0.765 40.132 40.800 0.161 0.000 0.936 1312 D HN 0.820 nan 8.370 nan 0.000 0.462 1313 Q N 1.121 121.036 119.800 0.191 0.000 2.020 1313 Q HA -0.201 4.139 4.340 0.000 0.000 0.202 1313 Q C 1.919 178.015 176.000 0.160 0.000 0.982 1313 Q CA 1.955 57.875 55.803 0.194 0.000 0.838 1313 Q CB -1.137 27.668 28.738 0.113 0.000 0.899 1313 Q HN 0.724 nan 8.270 nan 0.000 0.423 1314 E N -0.468 119.791 120.200 0.098 0.000 2.285 1314 E HA 0.002 4.352 4.350 0.000 0.000 0.194 1314 E C 2.017 178.606 176.600 -0.018 0.000 0.997 1314 E CA 0.825 57.253 56.400 0.047 0.000 0.845 1314 E CB -0.230 29.501 29.700 0.052 0.000 0.782 1314 E HN 0.661 nan 8.360 nan 0.000 0.491 1315 I N 0.225 120.777 120.570 -0.031 0.000 2.252 1315 I HA -0.192 3.978 4.170 0.000 0.000 0.245 1315 I C 1.958 177.996 176.117 -0.132 0.000 1.102 1315 I CA 1.338 62.554 61.300 -0.141 0.000 1.385 1315 I CB -0.295 37.579 38.000 -0.211 0.000 1.064 1315 I HN 0.169 nan 8.210 nan 0.000 0.414 1316 W N 1.323 122.604 121.300 -0.032 0.000 2.388 1316 W HA -0.164 4.496 4.660 0.000 0.000 0.294 1316 W C 2.702 179.191 176.519 -0.051 0.000 1.212 1316 W CA 0.767 58.087 57.345 -0.041 0.000 1.271 1316 W CB -0.064 29.375 29.460 -0.034 0.000 1.126 1316 W HN -0.006 nan 8.180 nan 0.000 0.535 1317 K N 0.353 120.861 120.400 0.180 0.000 1.991 1317 K HA -0.225 4.095 4.320 0.000 0.000 0.212 1317 K C 1.703 178.318 176.600 0.025 0.000 1.049 1317 K CA 2.087 58.417 56.287 0.073 0.000 0.932 1317 K CB -0.666 31.852 32.500 0.030 0.000 0.717 1317 K HN -0.009 nan 8.250 nan 0.000 0.441 1318 V N 1.308 121.220 119.914 -0.003 0.000 2.343 1318 V HA -0.263 3.857 4.120 0.000 0.000 0.247 1318 V C 2.459 178.562 176.094 0.016 0.000 1.051 1318 V CA 1.942 64.234 62.300 -0.013 0.000 1.036 1318 V CB -0.788 31.011 31.823 -0.040 0.000 0.654 1318 V HN 0.488 nan 8.190 nan 0.000 0.451 1319 A N 0.106 122.938 122.820 0.019 0.000 1.892 1319 A HA -0.349 3.971 4.320 0.000 0.000 0.218 1319 A C 2.068 179.698 177.584 0.076 0.000 1.188 1319 A CA 2.475 54.532 52.037 0.033 0.000 0.631 1319 A CB -0.785 18.216 19.000 0.001 0.000 0.822 1319 A HN 0.584 nan 8.150 nan 0.000 0.447 1320 D N -0.744 119.716 120.400 0.101 0.000 2.117 1320 D HA -0.130 4.510 4.640 0.000 0.000 0.197 1320 D C 1.959 178.260 176.300 0.001 0.000 0.987 1320 D CA 1.532 55.565 54.000 0.056 0.000 0.829 1320 D CB -0.211 40.614 40.800 0.042 0.000 0.961 1320 D HN 0.620 nan 8.370 nan 0.000 0.460 1321 E N -0.451 119.727 120.200 -0.037 0.000 2.085 1321 E HA -0.154 4.196 4.350 0.000 0.000 0.194 1321 E C 2.051 178.614 176.600 -0.062 0.000 0.994 1321 E CA 1.486 57.805 56.400 -0.134 0.000 0.801 1321 E CB 0.007 29.556 29.700 -0.252 0.000 0.743 1321 E HN 0.384 nan 8.360 nan 0.000 0.453 1322 V N -2.812 117.139 119.914 0.062 0.000 3.623 1322 V HA 0.346 4.466 4.120 0.000 0.000 0.271 1322 V C 1.156 177.312 176.094 0.104 0.000 1.248 1322 V CA 0.530 62.924 62.300 0.157 0.000 1.156 1322 V CB -0.220 31.716 31.823 0.189 0.000 0.870 1322 V HN 0.311 nan 8.190 nan 0.000 0.453 1323 G N 0.590 109.428 108.800 0.063 0.000 2.137 1323 G HA2 -0.244 3.716 3.960 0.000 0.000 0.237 1323 G HA3 -0.244 3.716 3.960 0.000 0.000 0.237 1323 G C 0.356 175.289 174.900 0.056 0.000 1.002 1323 G CA 0.520 45.653 45.100 0.055 0.000 0.702 1323 G HN 0.534 nan 8.290 nan 0.000 0.515 1324 L N -0.817 120.435 121.223 0.049 0.000 2.554 1324 L HA 0.274 4.615 4.340 0.000 0.000 0.225 1324 L C 2.783 179.662 176.870 0.014 0.000 1.104 1324 L CA 0.288 55.136 54.840 0.013 0.000 0.866 1324 L CB -0.148 41.909 42.059 -0.004 0.000 1.047 1324 L HN 0.324 nan 8.230 nan 0.000 0.468 1325 R N 0.285 120.835 120.500 0.083 0.000 2.083 1325 R HA -0.186 4.155 4.340 0.000 0.000 0.237 1325 R C 2.399 178.755 176.300 0.094 0.000 1.137 1325 R CA 2.003 58.218 56.100 0.191 0.000 0.951 1325 R CB -0.107 30.275 30.300 0.136 0.000 0.851 1325 R HN 0.422 nan 8.270 nan 0.000 0.434 1326 S N -0.671 115.033 115.700 0.006 0.000 2.481 1326 S HA -0.040 4.431 4.470 0.000 0.000 0.231 1326 S C 1.967 176.524 174.600 -0.072 0.000 0.996 1326 S CA 0.918 59.095 58.200 -0.039 0.000 0.942 1326 S CB -0.065 63.111 63.200 -0.041 0.000 0.768 1326 S HN 0.103 nan 8.310 nan 0.000 0.520 1327 V N 2.536 122.393 119.914 -0.095 0.000 2.302 1327 V HA -0.068 4.052 4.120 0.000 0.000 0.243 1327 V C 2.535 178.567 176.094 -0.104 0.000 1.036 1327 V CA 1.254 63.450 62.300 -0.173 0.000 1.020 1327 V CB -0.652 30.970 31.823 -0.334 0.000 0.657 1327 V HN 0.442 nan 8.190 nan 0.000 0.453 1328 I N 0.485 120.961 120.570 -0.156 0.000 2.208 1328 I HA -0.254 3.916 4.170 0.000 0.000 0.245 1328 I C 2.398 178.557 176.117 0.070 0.000 1.097 1328 I CA 1.721 62.867 61.300 -0.256 0.000 1.363 1328 I CB -1.430 36.349 38.000 -0.368 0.000 1.051 1328 I HN 0.455 nan 8.210 nan 0.000 0.413 1329 E N 0.488 120.741 120.200 0.089 0.000 2.333 1329 E HA -0.194 4.157 4.350 0.000 0.000 0.198 1329 E C 2.078 178.648 176.600 -0.051 0.000 1.007 1329 E CA 0.539 56.962 56.400 0.038 0.000 0.845 1329 E CB 0.017 29.686 29.700 -0.051 0.000 0.766 1329 E HN 0.518 nan 8.360 nan 0.000 0.507 1330 Q N -0.538 119.164 119.800 -0.163 0.000 2.311 1330 Q HA -0.016 4.324 4.340 0.000 0.000 0.203 1330 Q C 0.143 175.886 176.000 -0.428 0.000 0.954 1330 Q CA 0.707 56.306 55.803 -0.341 0.000 0.885 1330 Q CB 0.088 28.508 28.738 -0.530 0.000 0.963 1330 Q HN 0.230 nan 8.270 nan 0.000 0.471 1331 F N 2.696 122.536 119.950 -0.182 0.000 2.396 1331 F HA 0.243 4.770 4.527 0.000 0.000 0.343 1331 F C -1.708 174.054 175.800 -0.063 0.000 1.104 1331 F CA -2.686 55.135 58.000 -0.298 0.000 1.161 1331 F CB 0.561 39.166 39.000 -0.657 0.000 1.146 1331 F HN -0.121 nan 8.300 nan 0.000 0.522 1332 P HA 0.118 nan 4.420 nan 0.000 0.266 1332 P C 0.685 178.206 177.300 0.368 0.000 1.215 1332 P CA 0.767 64.021 63.100 0.256 0.000 0.763 1332 P CB 0.820 32.674 31.700 0.257 0.000 0.806 1333 G N 3.054 112.014 108.800 0.266 0.000 2.258 1333 G HA2 -0.300 3.660 3.960 0.000 0.000 0.233 1333 G HA3 -0.300 3.660 3.960 0.000 0.000 0.233 1333 G C 0.737 175.812 174.900 0.292 0.000 1.006 1333 G CA 0.461 45.719 45.100 0.264 0.000 0.620 1333 G HN 0.568 nan 8.290 nan 0.000 0.511 1334 K N -1.184 119.415 120.400 0.332 0.000 2.844 1334 K HA -0.310 4.010 4.320 0.000 0.000 0.177 1334 K C 1.737 178.533 176.600 0.327 0.000 0.804 1334 K CA 2.066 58.552 56.287 0.332 0.000 0.458 1334 K CB -1.537 31.191 32.500 0.381 0.000 0.759 1334 K HN 0.291 nan 8.250 nan 0.000 0.761 1335 L N 1.361 122.723 121.223 0.232 0.000 2.191 1335 L HA -0.174 4.167 4.340 0.000 0.000 0.212 1335 L C 1.826 178.815 176.870 0.198 0.000 1.103 1335 L CA 1.332 56.234 54.840 0.104 0.000 0.769 1335 L CB -0.400 41.612 42.059 -0.078 0.000 0.908 1335 L HN 0.399 nan 8.230 nan 0.000 0.438 1336 D N -0.522 120.004 120.400 0.210 0.000 2.347 1336 D HA -0.061 4.579 4.640 0.000 0.000 0.213 1336 D C 0.639 177.038 176.300 0.165 0.000 0.985 1336 D CA 0.155 54.245 54.000 0.150 0.000 0.879 1336 D CB 0.127 41.002 40.800 0.126 0.000 0.919 1336 D HN 0.100 nan 8.370 nan 0.000 0.526 1337 F N 2.010 122.038 119.950 0.130 0.000 2.607 1337 F HA -0.021 4.506 4.527 0.000 0.000 0.374 1337 F C 0.114 175.849 175.800 -0.108 0.000 1.104 1337 F CA -0.188 57.855 58.000 0.070 0.000 1.296 1337 F CB 0.648 39.759 39.000 0.186 0.000 1.085 1337 F HN -0.374 nan 8.300 nan 0.000 0.584 1338 V N 8.254 127.668 119.914 -0.832 0.000 2.385 1338 V HA 0.155 4.275 4.120 0.000 0.000 0.269 1338 V C 0.068 175.704 176.094 -0.764 0.000 1.043 1338 V CA -0.687 61.236 62.300 -0.629 0.000 0.906 1338 V CB 0.927 32.496 31.823 -0.423 0.000 0.995 1338 V HN 0.539 nan 8.190 nan 0.000 0.467 1339 L N 6.853 127.779 121.223 -0.494 0.000 2.312 1339 L HA 0.343 4.683 4.340 0.000 0.000 0.287 1339 L C 0.228 176.952 176.870 -0.245 0.000 1.091 1339 L CA -0.324 54.299 54.840 -0.361 0.000 0.846 1339 L CB 0.855 42.663 42.059 -0.419 0.000 1.219 1339 L HN 0.628 nan 8.230 nan 0.000 0.439 1340 V N -0.379 119.417 119.914 -0.198 0.000 2.953 1340 V HA 0.284 4.404 4.120 0.000 0.000 0.304 1340 V C 0.381 176.420 176.094 -0.092 0.000 1.073 1340 V CA -0.845 61.376 62.300 -0.131 0.000 1.064 1340 V CB 1.006 32.764 31.823 -0.107 0.000 1.047 1340 V HN 0.852 nan 8.190 nan 0.000 0.478 1341 D N 2.058 122.415 120.400 -0.071 0.000 2.697 1341 D HA -0.171 4.469 4.640 0.000 0.000 0.238 1341 D C 1.045 177.302 176.300 -0.071 0.000 1.152 1341 D CA 1.350 55.318 54.000 -0.053 0.000 0.666 1341 D CB -1.395 39.387 40.800 -0.030 0.000 1.037 1341 D HN 1.997 nan 8.370 nan 0.000 0.423 1342 G N -0.366 108.365 108.800 -0.115 0.000 2.323 1342 G HA2 0.023 3.983 3.960 0.000 0.000 0.292 1342 G HA3 0.023 3.983 3.960 0.000 0.000 0.292 1342 G C 1.024 175.830 174.900 -0.155 0.000 1.040 1342 G CA 0.851 45.843 45.100 -0.180 0.000 0.942 1342 G HN 1.604 nan 8.290 nan 0.000 0.506 1343 G N -1.859 106.854 108.800 -0.145 0.000 2.338 1343 G HA2 -0.090 3.870 3.960 0.000 0.000 0.296 1343 G HA3 -0.090 3.870 3.960 0.000 0.000 0.296 1343 G C 1.866 176.744 174.900 -0.036 0.000 1.040 1343 G CA 1.252 46.283 45.100 -0.115 0.000 1.004 1343 G HN 2.333 nan 8.290 nan 0.000 0.509 1344 C N -1.640 117.648 119.300 -0.019 0.000 2.422 1344 C HA 0.130 4.590 4.460 0.000 0.000 0.286 1344 C C 2.790 177.815 174.990 0.058 0.000 1.412 1344 C CA 1.309 60.338 59.018 0.019 0.000 1.786 1344 C CB -1.446 26.302 27.740 0.014 0.000 1.835 1344 C HN 1.379 nan 8.230 nan 0.000 0.533 1345 V N -0.855 119.107 119.914 0.080 0.000 2.951 1345 V HA 0.231 4.351 4.120 0.000 0.000 0.255 1345 V C 1.101 177.302 176.094 0.177 0.000 1.088 1345 V CA 0.558 62.943 62.300 0.142 0.000 1.109 1345 V CB -0.889 31.060 31.823 0.210 0.000 0.724 1345 V HN 0.588 nan 8.190 nan 0.000 0.471 1346 L N 2.573 123.888 121.223 0.154 0.000 2.371 1346 L HA 0.396 4.736 4.340 0.000 0.000 0.272 1346 L C 0.960 177.938 176.870 0.180 0.000 1.124 1346 L CA 0.196 55.165 54.840 0.214 0.000 0.816 1346 L CB 1.300 43.468 42.059 0.183 0.000 1.129 1346 L HN 0.452 nan 8.230 nan 0.000 0.448 1347 S N -0.174 115.648 115.700 0.203 0.000 2.584 1347 S HA -0.036 4.434 4.470 0.000 0.000 0.270 1347 S C 1.023 175.682 174.600 0.098 0.000 1.346 1347 S CA -0.204 58.055 58.200 0.098 0.000 1.018 1347 S CB 0.721 63.892 63.200 -0.047 0.000 0.899 1347 S HN 0.707 nan 8.310 nan 0.000 0.542 1348 H N 2.339 121.415 119.070 0.011 0.000 2.352 1348 H HA 0.017 4.573 4.556 0.000 0.000 0.299 1348 H C 2.162 177.505 175.328 0.024 0.000 1.097 1348 H CA 2.383 58.446 56.048 0.024 0.000 1.311 1348 H CB -0.872 28.902 29.762 0.020 0.000 1.377 1348 H HN 0.808 nan 8.280 nan 0.000 0.504 1349 G N -0.504 108.309 108.800 0.021 0.000 2.446 1349 G HA2 -0.307 3.654 3.960 0.000 0.000 0.217 1349 G HA3 -0.307 3.654 3.960 0.000 0.000 0.217 1349 G C 1.305 176.205 174.900 -0.001 0.000 1.168 1349 G CA 1.134 46.214 45.100 -0.033 0.000 0.771 1349 G HN 0.477 nan 8.290 nan 0.000 0.551 1350 H N 0.685 119.795 119.070 0.065 0.000 2.457 1350 H HA 0.058 4.615 4.556 0.000 0.000 0.294 1350 H C 2.540 177.901 175.328 0.054 0.000 1.064 1350 H CA 1.184 57.281 56.048 0.081 0.000 1.330 1350 H CB -0.024 29.817 29.762 0.133 0.000 1.395 1350 H HN 0.407 nan 8.280 nan 0.000 0.541 1351 K N 0.473 120.932 120.400 0.098 0.000 2.057 1351 K HA -0.091 4.229 4.320 0.000 0.000 0.206 1351 K C 2.214 178.790 176.600 -0.040 0.000 1.050 1351 K CA 0.798 57.083 56.287 -0.004 0.000 0.935 1351 K CB 0.117 32.548 32.500 -0.116 0.000 0.715 1351 K HN 0.249 nan 8.250 nan 0.000 0.439 1352 Q N 0.826 120.567 119.800 -0.099 0.000 2.096 1352 Q HA -0.136 4.204 4.340 0.000 0.000 0.204 1352 Q C 2.273 178.289 176.000 0.026 0.000 0.982 1352 Q CA 1.280 57.050 55.803 -0.055 0.000 0.850 1352 Q CB -0.215 28.499 28.738 -0.039 0.000 0.901 1352 Q HN 0.376 nan 8.270 nan 0.000 0.422 1353 L N -0.317 120.947 121.223 0.069 0.000 2.093 1353 L HA -0.152 4.188 4.340 0.000 0.000 0.208 1353 L C 2.542 179.464 176.870 0.086 0.000 1.085 1353 L CA 0.803 55.701 54.840 0.095 0.000 0.755 1353 L CB -0.311 41.832 42.059 0.140 0.000 0.904 1353 L HN 0.222 nan 8.230 nan 0.000 0.435 1354 M N -1.135 118.520 119.600 0.092 0.000 2.099 1354 M HA -0.229 4.251 4.480 0.000 0.000 0.262 1354 M C 2.466 178.814 176.300 0.080 0.000 1.067 1354 M CA 1.642 56.997 55.300 0.092 0.000 1.124 1354 M CB -0.381 32.291 32.600 0.120 0.000 1.353 1354 M HN 0.365 nan 8.290 nan 0.000 0.410 1355 C N -0.225 119.116 119.300 0.069 0.000 2.425 1355 C HA -0.117 4.343 4.460 0.000 0.000 0.277 1355 C C 2.586 177.613 174.990 0.061 0.000 1.280 1355 C CA 0.426 59.490 59.018 0.076 0.000 1.744 1355 C CB -1.167 26.611 27.740 0.063 0.000 1.989 1355 C HN 0.543 nan 8.230 nan 0.000 0.491 1356 L N 2.136 123.386 121.223 0.045 0.000 2.027 1356 L HA 0.005 4.346 4.340 0.000 0.000 0.206 1356 L C 2.606 179.499 176.870 0.039 0.000 1.074 1356 L CA 2.370 57.224 54.840 0.024 0.000 0.745 1356 L CB -1.065 41.005 42.059 0.017 0.000 0.898 1356 L HN 0.240 nan 8.230 nan 0.000 0.433 1357 A N -0.313 122.544 122.820 0.061 0.000 1.908 1357 A HA -0.274 4.046 4.320 0.000 0.000 0.218 1357 A C 2.554 180.157 177.584 0.032 0.000 1.181 1357 A CA 1.912 53.983 52.037 0.057 0.000 0.627 1357 A CB -0.732 18.293 19.000 0.041 0.000 0.818 1357 A HN 0.531 nan 8.150 nan 0.000 0.445 1358 R N -0.302 120.228 120.500 0.049 0.000 2.091 1358 R HA -0.126 4.214 4.340 0.000 0.000 0.238 1358 R C 2.339 178.675 176.300 0.060 0.000 1.136 1358 R CA 1.881 58.020 56.100 0.064 0.000 0.959 1358 R CB -0.313 30.057 30.300 0.116 0.000 0.856 1358 R HN 0.501 nan 8.270 nan 0.000 0.437 1359 S N -0.152 115.579 115.700 0.051 0.000 2.355 1359 S HA -0.091 4.379 4.470 0.000 0.000 0.222 1359 S C 1.907 176.515 174.600 0.013 0.000 1.031 1359 S CA 1.313 59.533 58.200 0.034 0.000 0.993 1359 S CB -0.069 63.138 63.200 0.013 0.000 0.859 1359 S HN 0.170 nan 8.310 nan 0.000 0.453 1360 V N 1.765 121.686 119.914 0.012 0.000 2.407 1360 V HA -0.109 4.011 4.120 0.000 0.000 0.248 1360 V C 2.217 178.315 176.094 0.006 0.000 1.055 1360 V CA 1.178 63.497 62.300 0.031 0.000 1.049 1360 V CB -0.577 31.327 31.823 0.136 0.000 0.662 1360 V HN 0.321 nan 8.190 nan 0.000 0.455 1361 L N 0.392 121.597 121.223 -0.030 0.000 2.141 1361 L HA -0.033 4.307 4.340 0.000 0.000 0.209 1361 L C 2.170 179.055 176.870 0.025 0.000 1.094 1361 L CA 1.700 56.459 54.840 -0.135 0.000 0.763 1361 L CB -0.883 41.047 42.059 -0.214 0.000 0.908 1361 L HN 0.334 nan 8.230 nan 0.000 0.437 1362 S N 0.867 116.613 115.700 0.077 0.000 2.851 1362 S HA -0.013 4.457 4.470 0.000 0.000 0.227 1362 S C 0.557 175.204 174.600 0.078 0.000 0.958 1362 S CA 0.093 58.362 58.200 0.115 0.000 0.990 1362 S CB -0.786 62.474 63.200 0.100 0.000 0.790 1362 S HN 0.537 nan 8.310 nan 0.000 0.509 1363 K N -0.497 119.936 120.400 0.055 0.000 3.148 1363 K HA -0.215 4.106 4.320 0.000 0.000 0.267 1363 K C -0.100 176.459 176.600 -0.069 0.000 0.996 1363 K CA 0.516 56.809 56.287 0.011 0.000 0.737 1363 K CB -2.711 29.816 32.500 0.044 0.000 1.308 1363 K HN 0.375 nan 8.250 nan 0.000 0.470 1364 A N 0.835 123.607 122.820 -0.079 0.000 2.371 1364 A HA 0.380 4.701 4.320 0.000 0.000 0.257 1364 A C 0.854 178.317 177.584 -0.202 0.000 1.089 1364 A CA -0.401 51.536 52.037 -0.168 0.000 0.794 1364 A CB 0.681 19.608 19.000 -0.122 0.000 1.029 1364 A HN 0.418 nan 8.150 nan 0.000 0.488 1365 K N 0.933 121.134 120.400 -0.332 0.000 2.548 1365 K HA 0.281 4.601 4.320 0.000 0.000 0.209 1365 K C -0.337 176.058 176.600 -0.341 0.000 1.420 1365 K CA 0.509 56.617 56.287 -0.299 0.000 0.985 1365 K CB 0.434 32.731 32.500 -0.337 0.000 1.249 1365 K HN 0.725 nan 8.250 nan 0.000 0.557 1366 I N 2.748 123.026 120.570 -0.488 0.000 2.321 1366 I HA 0.198 4.368 4.170 0.000 0.000 0.291 1366 I C -0.738 175.210 176.117 -0.283 0.000 0.998 1366 I CA -0.950 60.082 61.300 -0.447 0.000 1.227 1366 I CB 1.090 38.671 38.000 -0.698 0.000 1.368 1366 I HN -0.238 nan 8.210 nan 0.000 0.466 1367 L N 7.694 128.796 121.223 -0.202 0.000 2.272 1367 L HA 0.451 4.791 4.340 0.000 0.000 0.289 1367 L C -0.413 176.421 176.870 -0.060 0.000 1.032 1367 L CA -0.069 54.683 54.840 -0.147 0.000 0.810 1367 L CB 1.150 43.081 42.059 -0.213 0.000 1.205 1367 L HN 0.399 nan 8.230 nan 0.000 0.422 1368 L N 5.085 126.309 121.223 0.002 0.000 2.294 1368 L HA 0.443 4.783 4.340 0.000 0.000 0.283 1368 L C -0.824 176.063 176.870 0.028 0.000 1.015 1368 L CA -0.462 54.406 54.840 0.047 0.000 0.831 1368 L CB 1.125 43.252 42.059 0.114 0.000 1.217 1368 L HN 0.308 nan 8.230 nan 0.000 0.420 1369 L N 3.457 124.699 121.223 0.032 0.000 2.313 1369 L HA 0.297 4.637 4.340 0.000 0.000 0.273 1369 L C -0.359 176.537 176.870 0.043 0.000 1.028 1369 L CA -0.039 54.821 54.840 0.033 0.000 0.871 1369 L CB 1.238 43.326 42.059 0.048 0.000 1.242 1369 L HN 0.545 nan 8.230 nan 0.000 0.434 1370 D N 4.332 124.737 120.400 0.008 0.000 2.441 1370 D HA 0.123 4.763 4.640 0.000 0.000 0.221 1370 D C 0.328 176.618 176.300 -0.016 0.000 1.156 1370 D CA 0.081 54.081 54.000 0.000 0.000 0.896 1370 D CB 0.367 41.151 40.800 -0.028 0.000 1.028 1370 D HN 0.491 nan 8.370 nan 0.000 0.509 1371 E N 2.413 122.652 120.200 0.064 0.000 2.230 1371 E HA -0.178 4.172 4.350 0.000 0.000 0.206 1371 E C -1.675 175.005 176.600 0.134 0.000 1.309 1371 E CA -0.013 56.453 56.400 0.111 0.000 0.697 1371 E CB -0.279 29.522 29.700 0.167 0.000 1.146 1371 E HN 0.508 nan 8.360 nan 0.000 0.363 1372 P HA -0.180 nan 4.420 nan 0.000 0.223 1372 P C 1.287 178.555 177.300 -0.053 0.000 1.151 1372 P CA 1.527 64.697 63.100 0.116 0.000 0.787 1372 P CB 0.113 31.942 31.700 0.217 0.000 0.788 1373 S N -0.900 114.609 115.700 -0.318 0.000 2.555 1373 S HA 0.155 4.625 4.470 0.000 0.000 0.230 1373 S C 1.836 176.236 174.600 -0.332 0.000 0.978 1373 S CA 0.664 58.391 58.200 -0.788 0.000 0.934 1373 S CB -0.738 61.985 63.200 -0.795 0.000 0.766 1373 S HN 0.142 nan 8.310 nan 0.000 0.533 1374 A N 0.070 122.826 122.820 -0.106 0.000 2.229 1374 A HA 0.422 4.742 4.320 0.000 0.000 0.211 1374 A C 1.480 178.962 177.584 -0.170 0.000 1.193 1374 A CA 0.070 52.044 52.037 -0.104 0.000 0.879 1374 A CB -0.128 18.832 19.000 -0.066 0.000 0.911 1374 A HN 0.570 nan 8.150 nan 0.000 0.492 1375 H N -1.072 117.974 119.070 -0.039 0.000 2.788 1375 H HA 0.430 4.986 4.556 0.000 0.000 0.262 1375 H C 0.007 175.361 175.328 0.043 0.000 0.968 1375 H CA 0.120 56.174 56.048 0.010 0.000 1.218 1375 H CB 0.348 30.132 29.762 0.038 0.000 1.443 1375 H HN 0.259 nan 8.280 nan 0.000 0.478 1376 L N 2.116 123.427 121.223 0.147 0.000 2.325 1376 L HA 0.240 4.580 4.340 0.000 0.000 0.279 1376 L C -0.198 176.724 176.870 0.087 0.000 1.054 1376 L CA -1.144 53.783 54.840 0.145 0.000 0.804 1376 L CB 1.327 43.501 42.059 0.192 0.000 1.200 1376 L HN 0.294 nan 8.230 nan 0.000 0.436 1377 D N 1.930 122.387 120.400 0.096 0.000 2.382 1377 D HA 0.076 4.716 4.640 0.000 0.000 0.240 1377 D C -1.971 174.389 176.300 0.101 0.000 1.146 1377 D CA -1.117 52.922 54.000 0.064 0.000 0.897 1377 D CB 0.543 41.373 40.800 0.050 0.000 1.197 1377 D HN 0.198 nan 8.370 nan 0.000 0.432 1378 P HA -0.273 nan 4.420 nan 0.000 0.219 1378 P C 1.407 178.802 177.300 0.159 0.000 1.158 1378 P CA 1.137 64.318 63.100 0.134 0.000 0.895 1378 P CB 0.022 31.770 31.700 0.080 0.000 0.792 1379 V N -1.123 118.849 119.914 0.098 0.000 2.358 1379 V HA -0.195 3.926 4.120 0.000 0.000 0.246 1379 V C 2.292 178.437 176.094 0.086 0.000 1.047 1379 V CA 2.488 64.834 62.300 0.076 0.000 1.035 1379 V CB -1.904 29.946 31.823 0.046 0.000 0.658 1379 V HN 0.187 nan 8.190 nan 0.000 0.452 1380 T N -0.752 113.861 114.554 0.099 0.000 2.777 1380 T HA -0.210 4.140 4.350 0.000 0.000 0.266 1380 T C 1.733 176.524 174.700 0.152 0.000 1.040 1380 T CA 1.828 63.993 62.100 0.109 0.000 1.141 1380 T CB -0.433 68.496 68.868 0.101 0.000 0.868 1380 T HN 0.594 nan 8.240 nan 0.000 0.444 1381 Y N 1.945 122.275 120.300 0.049 0.000 2.151 1381 Y HA -0.261 4.289 4.550 0.000 0.000 0.284 1381 Y C 2.654 178.582 175.900 0.048 0.000 1.166 1381 Y CA 1.193 59.324 58.100 0.051 0.000 1.163 1381 Y CB -0.090 38.400 38.460 0.049 0.000 0.974 1381 Y HN 0.076 nan 8.280 nan 0.000 0.511 1382 Q N 0.376 120.137 119.800 -0.065 0.000 2.119 1382 Q HA -0.143 4.198 4.340 0.000 0.000 0.201 1382 Q C 2.392 178.341 176.000 -0.085 0.000 0.972 1382 Q CA 1.704 57.419 55.803 -0.147 0.000 0.847 1382 Q CB -0.337 28.376 28.738 -0.041 0.000 0.903 1382 Q HN 0.648 nan 8.270 nan 0.000 0.433 1383 I N 0.502 121.066 120.570 -0.010 0.000 2.226 1383 I HA -0.260 3.910 4.170 0.000 0.000 0.245 1383 I C 2.016 178.147 176.117 0.024 0.000 1.100 1383 I CA 0.747 62.060 61.300 0.022 0.000 1.374 1383 I CB -0.277 37.761 38.000 0.063 0.000 1.057 1383 I HN 0.134 nan 8.210 nan 0.000 0.413 1384 I N 0.381 120.962 120.570 0.019 0.000 2.179 1384 I HA -0.230 3.940 4.170 0.000 0.000 0.242 1384 I C 2.664 178.772 176.117 -0.016 0.000 1.088 1384 I CA 1.458 62.777 61.300 0.031 0.000 1.357 1384 I CB -1.365 36.663 38.000 0.047 0.000 1.051 1384 I HN 0.263 nan 8.210 nan 0.000 0.409 1385 R N 0.539 120.957 120.500 -0.138 0.000 2.096 1385 R HA -0.181 4.159 4.340 0.000 0.000 0.240 1385 R C 2.377 178.635 176.300 -0.069 0.000 1.139 1385 R CA 1.407 57.408 56.100 -0.165 0.000 0.952 1385 R CB -0.553 29.545 30.300 -0.336 0.000 0.854 1385 R HN 0.380 nan 8.270 nan 0.000 0.436 1386 R N -0.648 119.819 120.500 -0.054 0.000 2.081 1386 R HA -0.111 4.229 4.340 0.000 0.000 0.235 1386 R C 2.311 178.617 176.300 0.009 0.000 1.131 1386 R CA 1.861 57.948 56.100 -0.023 0.000 0.960 1386 R CB -0.451 29.837 30.300 -0.020 0.000 0.856 1386 R HN 0.171 nan 8.270 nan 0.000 0.436 1387 T N 0.286 114.871 114.554 0.052 0.000 2.915 1387 T HA -0.051 4.299 4.350 0.000 0.000 0.269 1387 T C 1.570 176.390 174.700 0.199 0.000 1.071 1387 T CA 0.631 62.796 62.100 0.107 0.000 1.132 1387 T CB 0.020 69.017 68.868 0.215 0.000 0.878 1387 T HN -0.016 nan 8.240 nan 0.000 0.479 1388 L N 0.783 122.111 121.223 0.174 0.000 2.131 1388 L HA 0.106 4.446 4.340 0.000 0.000 0.210 1388 L C 2.374 179.290 176.870 0.077 0.000 1.092 1388 L CA 1.733 56.663 54.840 0.150 0.000 0.759 1388 L CB -0.415 41.681 42.059 0.060 0.000 0.903 1388 L HN 0.178 nan 8.230 nan 0.000 0.435 1389 K N -1.819 118.600 120.400 0.032 0.000 2.305 1389 K HA -0.023 4.297 4.320 0.000 0.000 0.199 1389 K C 1.842 178.433 176.600 -0.014 0.000 1.047 1389 K CA 0.438 56.727 56.287 0.003 0.000 0.976 1389 K CB 0.217 32.712 32.500 -0.009 0.000 0.765 1389 K HN 0.287 nan 8.250 nan 0.000 0.474 1390 Q N -0.429 119.354 119.800 -0.028 0.000 2.093 1390 Q HA 0.173 4.513 4.340 0.000 0.000 0.234 1390 Q C 2.137 178.053 176.000 -0.140 0.000 0.988 1390 Q CA 0.874 56.631 55.803 -0.075 0.000 0.855 1390 Q CB -0.529 28.160 28.738 -0.082 0.000 1.026 1390 Q HN 0.184 nan 8.270 nan 0.000 0.506 1391 A N 0.046 122.698 122.820 -0.280 0.000 2.066 1391 A HA 0.001 4.321 4.320 0.000 0.000 0.218 1391 A C 1.229 178.467 177.584 -0.577 0.000 1.157 1391 A CA 0.878 52.615 52.037 -0.500 0.000 0.670 1391 A CB -0.383 18.163 19.000 -0.757 0.000 0.804 1391 A HN 0.325 nan 8.150 nan 0.000 0.453 1392 F N -1.042 118.884 119.950 -0.040 0.000 2.684 1392 F HA 0.400 4.927 4.527 0.000 0.000 0.298 1392 F C 1.982 177.751 175.800 -0.052 0.000 1.120 1392 F CA 0.100 58.070 58.000 -0.051 0.000 1.332 1392 F CB 0.164 39.133 39.000 -0.051 0.000 0.986 1392 F HN 0.200 nan 8.300 nan 0.000 0.524 1393 A N -0.125 122.722 122.820 0.044 0.000 1.978 1393 A HA -0.186 4.134 4.320 0.000 0.000 0.220 1393 A C 1.490 179.081 177.584 0.011 0.000 1.170 1393 A CA 1.897 53.944 52.037 0.018 0.000 0.636 1393 A CB -0.355 18.637 19.000 -0.014 0.000 0.810 1393 A HN 0.230 nan 8.150 nan 0.000 0.448 1394 D N -1.513 118.892 120.400 0.009 0.000 2.368 1394 D HA 0.204 4.844 4.640 0.000 0.000 0.218 1394 D C -0.365 175.930 176.300 -0.008 0.000 1.112 1394 D CA -0.117 53.880 54.000 -0.006 0.000 0.834 1394 D CB -0.160 40.630 40.800 -0.017 0.000 0.953 1394 D HN 0.288 nan 8.370 nan 0.000 0.505 1395 C N 0.796 120.108 119.300 0.020 0.000 2.401 1395 C HA 0.378 4.838 4.460 0.000 0.000 0.365 1395 C C 0.868 175.824 174.990 -0.058 0.000 1.250 1395 C CA -0.511 58.498 59.018 -0.015 0.000 2.131 1395 C CB 0.899 28.663 27.740 0.039 0.000 2.445 1395 C HN 0.157 nan 8.230 nan 0.000 0.550 1396 T N 2.979 117.466 114.554 -0.111 0.000 2.834 1396 T HA 0.353 4.703 4.350 0.000 0.000 0.298 1396 T C -0.143 174.479 174.700 -0.131 0.000 0.966 1396 T CA 0.066 62.094 62.100 -0.121 0.000 1.141 1396 T CB 0.234 69.009 68.868 -0.155 0.000 0.905 1396 T HN 0.480 nan 8.240 nan 0.000 0.535 1397 V N 5.521 125.375 119.914 -0.100 0.000 2.531 1397 V HA 0.456 4.576 4.120 0.000 0.000 0.301 1397 V C -0.141 175.909 176.094 -0.074 0.000 1.034 1397 V CA -0.832 61.414 62.300 -0.089 0.000 0.865 1397 V CB 1.744 33.527 31.823 -0.066 0.000 0.995 1397 V HN 0.785 nan 8.190 nan 0.000 0.424 1398 I N 5.984 126.519 120.570 -0.057 0.000 2.330 1398 I HA 0.403 4.573 4.170 0.000 0.000 0.286 1398 I C -0.703 175.426 176.117 0.020 0.000 1.025 1398 I CA -0.462 60.826 61.300 -0.019 0.000 1.197 1398 I CB 1.442 39.444 38.000 0.004 0.000 1.358 1398 I HN 0.394 nan 8.210 nan 0.000 0.467 1399 L N 7.753 128.989 121.223 0.022 0.000 2.317 1399 L HA 0.626 4.966 4.340 0.000 0.000 0.281 1399 L C -0.938 175.984 176.870 0.087 0.000 1.024 1399 L CA -0.168 54.705 54.840 0.056 0.000 0.810 1399 L CB 1.627 43.719 42.059 0.055 0.000 1.240 1399 L HN 0.733 nan 8.230 nan 0.000 0.427 1400 C N 5.497 124.859 119.300 0.103 0.000 2.383 1400 C HA 0.772 5.232 4.460 0.000 0.000 0.330 1400 C C -1.036 174.034 174.990 0.134 0.000 1.168 1400 C CA -0.265 58.823 59.018 0.117 0.000 1.374 1400 C CB 0.289 28.086 27.740 0.096 0.000 2.014 1400 C HN 0.912 nan 8.230 nan 0.000 0.439 1401 E N 2.912 123.216 120.200 0.174 0.000 2.367 1401 E HA 0.457 4.807 4.350 0.000 0.000 0.273 1401 E C 0.313 177.056 176.600 0.239 0.000 0.903 1401 E CA -0.297 56.209 56.400 0.177 0.000 0.764 1401 E CB 2.123 31.925 29.700 0.170 0.000 1.252 1401 E HN 0.673 nan 8.360 nan 0.000 0.446 1402 A N 2.052 124.986 122.820 0.191 0.000 1.855 1402 A HA -0.044 4.276 4.320 0.000 0.000 0.215 1402 A C 1.042 178.744 177.584 0.198 0.000 1.191 1402 A CA 1.125 53.298 52.037 0.226 0.000 0.613 1402 A CB -0.058 19.022 19.000 0.133 0.000 0.829 1402 A HN 0.323 nan 8.150 nan 0.000 0.442 1403 R N -0.715 119.827 120.500 0.069 0.000 2.490 1403 R HA 0.342 4.682 4.340 0.000 0.000 0.280 1403 R C 0.857 177.127 176.300 -0.049 0.000 1.077 1403 R CA -0.209 55.854 56.100 -0.061 0.000 1.065 1403 R CB 0.264 30.541 30.300 -0.038 0.000 1.003 1403 R HN 0.420 nan 8.270 nan 0.000 0.470 1404 I N 2.323 122.738 120.570 -0.259 0.000 2.353 1404 I HA -0.170 4.000 4.170 0.000 0.000 0.248 1404 I C 1.432 177.545 176.117 -0.007 0.000 1.119 1404 I CA 1.393 62.608 61.300 -0.143 0.000 1.417 1404 I CB -0.097 37.683 38.000 -0.367 0.000 1.078 1404 I HN 0.675 nan 8.210 nan 0.000 0.421 1405 E N 1.069 121.244 120.200 -0.041 0.000 2.265 1405 E HA -0.175 4.175 4.350 0.000 0.000 0.196 1405 E C 1.929 178.570 176.600 0.068 0.000 0.996 1405 E CA 1.182 57.586 56.400 0.007 0.000 0.832 1405 E CB -0.790 28.900 29.700 -0.016 0.000 0.756 1405 E HN 0.576 nan 8.360 nan 0.000 0.491 1406 A N 1.807 124.683 122.820 0.094 0.000 2.206 1406 A HA 0.054 4.374 4.320 0.000 0.000 0.211 1406 A C 1.862 179.553 177.584 0.180 0.000 1.158 1406 A CA 0.672 52.804 52.037 0.159 0.000 0.761 1406 A CB -0.401 18.690 19.000 0.152 0.000 0.801 1406 A HN 0.369 nan 8.150 nan 0.000 0.473 1407 M N -2.047 117.661 119.600 0.179 0.000 3.114 1407 M HA 0.443 4.923 4.480 0.000 0.000 0.386 1407 M C 0.140 176.585 176.300 0.241 0.000 1.417 1407 M CA -0.012 55.413 55.300 0.209 0.000 0.785 1407 M CB -0.042 32.720 32.600 0.271 0.000 1.413 1407 M HN 0.047 nan 8.290 nan 0.000 0.498 1408 L N 1.038 122.361 121.223 0.166 0.000 2.492 1408 L HA 0.093 4.434 4.340 0.000 0.000 0.223 1408 L C 1.886 178.830 176.870 0.124 0.000 1.132 1408 L CA 0.942 55.875 54.840 0.156 0.000 0.850 1408 L CB 0.185 42.296 42.059 0.086 0.000 0.966 1408 L HN 0.423 nan 8.230 nan 0.000 0.454 1409 E N -0.888 119.360 120.200 0.079 0.000 2.478 1409 E HA 0.031 4.382 4.350 0.000 0.000 0.194 1409 E C 0.542 177.137 176.600 -0.009 0.000 1.045 1409 E CA -0.026 56.394 56.400 0.033 0.000 0.868 1409 E CB -0.122 29.586 29.700 0.014 0.000 0.885 1409 E HN 0.415 nan 8.360 nan 0.000 0.505 1410 C N 2.317 121.586 119.300 -0.051 0.000 2.644 1410 C HA 0.096 4.557 4.460 0.000 0.000 0.417 1410 C C 1.501 176.352 174.990 -0.232 0.000 1.304 1410 C CA -0.618 58.254 59.018 -0.243 0.000 2.035 1410 C CB 0.303 27.686 27.740 -0.595 0.000 2.673 1410 C HN 0.338 nan 8.230 nan 0.000 0.602 1411 D N 0.450 120.727 120.400 -0.205 0.000 2.339 1411 D HA 0.053 4.693 4.640 0.000 0.000 0.217 1411 D C 0.434 176.671 176.300 -0.105 0.000 1.050 1411 D CA 0.709 54.651 54.000 -0.097 0.000 0.856 1411 D CB 0.442 41.212 40.800 -0.050 0.000 0.922 1411 D HN 0.698 nan 8.370 nan 0.000 0.518 1412 Q N -0.434 119.177 119.800 -0.315 0.000 2.594 1412 Q HA 0.353 4.693 4.340 0.000 0.000 0.278 1412 Q C -2.020 173.686 176.000 -0.491 0.000 0.961 1412 Q CA -0.557 55.132 55.803 -0.189 0.000 0.844 1412 Q CB 1.497 30.188 28.738 -0.079 0.000 1.475 1412 Q HN -0.170 nan 8.270 nan 0.000 0.389 1413 F N 2.052 122.072 119.950 0.116 0.000 2.539 1413 F HA 0.498 5.025 4.527 0.000 0.000 0.318 1413 F C -0.763 175.110 175.800 0.121 0.000 1.135 1413 F CA -0.566 57.497 58.000 0.105 0.000 0.915 1413 F CB 1.594 40.653 39.000 0.099 0.000 1.176 1413 F HN 0.315 nan 8.300 nan 0.000 0.440 1414 L N 4.553 125.882 121.223 0.176 0.000 2.280 1414 L HA 0.600 4.940 4.340 0.000 0.000 0.287 1414 L C -0.838 176.092 176.870 0.100 0.000 1.023 1414 L CA -0.885 53.996 54.840 0.069 0.000 0.819 1414 L CB 1.505 43.450 42.059 -0.191 0.000 1.212 1414 L HN 0.323 nan 8.230 nan 0.000 0.420 1415 V N 5.328 125.344 119.914 0.171 0.000 2.370 1415 V HA 0.337 4.457 4.120 0.000 0.000 0.283 1415 V C 0.342 176.487 176.094 0.086 0.000 1.023 1415 V CA -0.383 62.004 62.300 0.146 0.000 0.857 1415 V CB 1.789 33.770 31.823 0.264 0.000 0.985 1415 V HN 0.510 nan 8.190 nan 0.000 0.443 1416 I N 6.265 126.841 120.570 0.010 0.000 2.294 1416 I HA 0.253 4.423 4.170 0.000 0.000 0.295 1416 I C 0.834 176.920 176.117 -0.050 0.000 1.098 1416 I CA 0.023 61.314 61.300 -0.014 0.000 1.277 1416 I CB 0.249 38.225 38.000 -0.040 0.000 1.434 1416 I HN 0.760 nan 8.210 nan 0.000 0.498 1417 E N 3.932 124.134 120.200 0.003 0.000 2.284 1417 E HA 0.499 4.849 4.350 0.000 0.000 0.255 1417 E C 0.079 176.671 176.600 -0.013 0.000 1.052 1417 E CA -0.898 55.496 56.400 -0.010 0.000 0.904 1417 E CB 0.487 30.221 29.700 0.057 0.000 1.217 1417 E HN 0.450 nan 8.360 nan 0.000 0.438 1418 E N 1.128 121.319 120.200 -0.015 0.000 2.463 1418 E HA -0.022 4.329 4.350 0.000 0.000 0.248 1418 E C -0.094 176.511 176.600 0.010 0.000 1.106 1418 E CA 0.686 57.080 56.400 -0.010 0.000 0.946 1418 E CB -1.405 28.289 29.700 -0.009 0.000 0.971 1418 E HN 0.674 nan 8.360 nan 0.000 0.478 1419 N N 0.271 118.977 118.700 0.010 0.000 2.741 1419 N HA -0.212 4.528 4.740 0.000 0.000 0.251 1419 N C -0.160 175.370 175.510 0.034 0.000 1.112 1419 N CA 1.553 54.615 53.050 0.020 0.000 0.750 1419 N CB -0.831 37.666 38.487 0.018 0.000 1.119 1419 N HN 0.708 nan 8.380 nan 0.000 0.561 1420 K N -0.153 120.272 120.400 0.042 0.000 2.568 1420 K HA 0.541 4.861 4.320 0.000 0.000 0.273 1420 K C -1.778 174.868 176.600 0.077 0.000 0.951 1420 K CA -0.660 55.664 56.287 0.061 0.000 0.854 1420 K CB 1.887 34.422 32.500 0.058 0.000 1.424 1420 K HN -0.100 nan 8.250 nan 0.000 0.427 1421 V N 3.498 123.476 119.914 0.108 0.000 2.409 1421 V HA 0.487 4.607 4.120 0.000 0.000 0.291 1421 V C -0.199 175.965 176.094 0.118 0.000 1.020 1421 V CA -0.737 61.635 62.300 0.120 0.000 0.848 1421 V CB 1.484 33.416 31.823 0.181 0.000 0.990 1421 V HN 0.660 nan 8.190 nan 0.000 0.430 1422 R N 3.254 123.825 120.500 0.118 0.000 2.604 1422 R HA 0.485 4.825 4.340 0.000 0.000 0.287 1422 R C -0.748 175.628 176.300 0.125 0.000 0.970 1422 R CA -0.590 55.567 56.100 0.096 0.000 0.946 1422 R CB 1.571 31.925 30.300 0.090 0.000 1.127 1422 R HN 0.696 nan 8.270 nan 0.000 0.473 1423 Q N 3.265 123.090 119.800 0.040 0.000 2.312 1423 Q HA 0.230 4.570 4.340 0.000 0.000 0.263 1423 Q C -1.780 174.231 176.000 0.018 0.000 0.995 1423 Q CA -0.433 55.430 55.803 0.100 0.000 0.853 1423 Q CB 1.394 30.181 28.738 0.083 0.000 1.300 1423 Q HN 0.620 nan 8.270 nan 0.000 0.448 1424 Y N 1.916 122.323 120.300 0.180 0.000 2.409 1424 Y HA 0.179 4.729 4.550 0.000 0.000 0.343 1424 Y C 0.634 176.684 175.900 0.250 0.000 0.973 1424 Y CA -0.741 57.488 58.100 0.216 0.000 1.064 1424 Y CB 1.816 40.415 38.460 0.233 0.000 1.207 1424 Y HN 0.603 nan 8.280 nan 0.000 0.452 1425 D N 0.476 121.079 120.400 0.337 0.000 2.224 1425 D HA -0.038 4.602 4.640 0.000 0.000 0.205 1425 D C 0.423 176.911 176.300 0.313 0.000 0.965 1425 D CA 1.185 55.340 54.000 0.258 0.000 0.852 1425 D CB 0.268 41.178 40.800 0.183 0.000 0.947 1425 D HN 0.456 nan 8.370 nan 0.000 0.494 1426 S N -1.622 114.325 115.700 0.412 0.000 2.672 1426 S HA 0.290 4.760 4.470 0.000 0.000 0.271 1426 S C 0.643 175.449 174.600 0.345 0.000 1.171 1426 S CA -0.775 57.672 58.200 0.412 0.000 0.817 1426 S CB 0.582 63.943 63.200 0.269 0.000 1.150 1426 S HN -0.195 nan 8.310 nan 0.000 0.478 1427 I N 0.581 121.304 120.570 0.255 0.000 2.286 1427 I HA -0.081 4.089 4.170 0.000 0.000 0.248 1427 I C 2.120 178.250 176.117 0.022 0.000 1.115 1427 I CA 1.110 62.398 61.300 -0.020 0.000 1.392 1427 I CB -1.131 36.876 38.000 0.012 0.000 1.065 1427 I HN 0.544 nan 8.210 nan 0.000 0.418 1428 L N 0.679 121.971 121.223 0.114 0.000 2.046 1428 L HA -0.204 4.136 4.340 0.000 0.000 0.208 1428 L C 2.546 179.600 176.870 0.308 0.000 1.077 1428 L CA 1.694 56.639 54.840 0.176 0.000 0.747 1428 L CB -0.961 41.242 42.059 0.241 0.000 0.896 1428 L HN 0.287 nan 8.230 nan 0.000 0.432 1429 E N -0.953 119.461 120.200 0.356 0.000 2.072 1429 E HA -0.212 4.139 4.350 0.000 0.000 0.191 1429 E C 2.222 179.099 176.600 0.462 0.000 0.985 1429 E CA 0.567 57.268 56.400 0.501 0.000 0.801 1429 E CB -0.016 29.979 29.700 0.492 0.000 0.750 1429 E HN 0.237 nan 8.360 nan 0.000 0.452 1430 L N 0.531 121.883 121.223 0.215 0.000 2.042 1430 L HA -0.211 4.130 4.340 0.000 0.000 0.210 1430 L C 2.127 178.969 176.870 -0.048 0.000 1.076 1430 L CA 1.873 56.622 54.840 -0.152 0.000 0.749 1430 L CB -0.959 40.832 42.059 -0.447 0.000 0.893 1430 L HN 0.339 nan 8.230 nan 0.000 0.432 1431 Y N -0.695 119.519 120.300 -0.144 0.000 2.231 1431 Y HA -0.161 4.390 4.550 0.000 0.000 0.294 1431 Y C 2.857 178.657 175.900 -0.166 0.000 1.120 1431 Y CA 1.508 59.475 58.100 -0.222 0.000 1.141 1431 Y CB -0.115 38.141 38.460 -0.340 0.000 1.022 1431 Y HN 0.249 nan 8.280 nan 0.000 0.523 1432 H N -1.364 117.763 119.070 0.096 0.000 2.372 1432 H HA -0.004 4.552 4.556 0.000 0.000 0.301 1432 H C -0.118 175.038 175.328 -0.287 0.000 1.065 1432 H CA 1.379 57.301 56.048 -0.210 0.000 1.364 1432 H CB -0.278 29.169 29.762 -0.525 0.000 1.406 1432 H HN 0.317 nan 8.280 nan 0.000 0.521 1433 Y N 1.271 121.809 120.300 0.396 0.000 2.553 1433 Y HA 0.287 4.837 4.550 0.000 0.000 0.369 1433 Y C -2.254 173.864 175.900 0.364 0.000 0.964 1433 Y CA -3.065 55.243 58.100 0.347 0.000 1.156 1433 Y CB 0.440 39.069 38.460 0.281 0.000 1.218 1433 Y HN 0.042 nan 8.280 nan 0.000 0.630 1434 P HA 0.088 nan 4.420 nan 0.000 0.271 1434 P C 0.462 178.020 177.300 0.430 0.000 1.216 1434 P CA 0.255 63.565 63.100 0.351 0.000 0.771 1434 P CB 1.894 33.681 31.700 0.144 0.000 0.864 1435 A N 2.760 125.861 122.820 0.469 0.000 2.178 1435 A HA 0.091 4.411 4.320 0.000 0.000 0.211 1435 A C 0.546 178.334 177.584 0.341 0.000 1.157 1435 A CA 0.914 53.159 52.037 0.346 0.000 0.780 1435 A CB -0.596 18.555 19.000 0.253 0.000 0.828 1435 A HN 0.705 nan 8.150 nan 0.000 0.476 1436 D N -4.015 116.597 120.400 0.353 0.000 2.664 1436 D HA 0.326 4.966 4.640 0.000 0.000 0.292 1436 D C 0.464 176.824 176.300 0.099 0.000 1.214 1436 D CA -0.809 53.359 54.000 0.281 0.000 0.932 1436 D CB 0.462 41.380 40.800 0.196 0.000 1.420 1436 D HN -0.167 nan 8.370 nan 0.000 0.471 1437 R N -0.870 119.510 120.500 -0.199 0.000 2.148 1437 R HA 0.017 4.357 4.340 0.000 0.000 0.223 1437 R C 1.545 177.688 176.300 -0.261 0.000 1.088 1437 R CA 0.697 56.423 56.100 -0.622 0.000 0.985 1437 R CB -0.310 29.549 30.300 -0.734 0.000 0.880 1437 R HN 0.523 nan 8.270 nan 0.000 0.451 1438 F N 0.524 120.364 119.950 -0.184 0.000 2.084 1438 F HA -0.160 4.367 4.527 0.001 0.000 0.296 1438 F C 1.817 177.591 175.800 -0.043 0.000 1.111 1438 F CA 1.310 59.249 58.000 -0.102 0.000 1.224 1438 F CB -0.545 38.399 39.000 -0.092 0.000 0.991 1438 F HN -0.266 nan 8.300 nan 0.000 0.471 1439 V N 1.163 120.942 119.914 -0.225 0.000 2.392 1439 V HA -0.332 3.788 4.120 0.000 0.000 0.249 1439 V C 2.811 178.756 176.094 -0.248 0.000 1.059 1439 V CA 1.829 63.939 62.300 -0.316 0.000 1.051 1439 V CB -1.819 29.958 31.823 -0.077 0.000 0.658 1439 V HN 0.548 nan 8.190 nan 0.000 0.455 1440 A N 0.537 123.270 122.820 -0.146 0.000 1.902 1440 A HA -0.068 4.252 4.320 0.000 0.000 0.217 1440 A C 2.376 179.882 177.584 -0.131 0.000 1.181 1440 A CA 1.896 53.857 52.037 -0.127 0.000 0.623 1440 A CB -1.057 17.941 19.000 -0.003 0.000 0.818 1440 A HN 0.544 nan 8.150 nan 0.000 0.443 1441 G N -2.310 106.434 108.800 -0.094 0.000 2.572 1441 G HA2 -0.037 3.923 3.960 0.000 0.000 0.216 1441 G HA3 -0.037 3.923 3.960 0.000 0.000 0.216 1441 G C 1.282 176.101 174.900 -0.135 0.000 1.133 1441 G CA 0.778 45.849 45.100 -0.049 0.000 0.791 1441 G HN 0.430 nan 8.290 nan 0.000 0.538 1442 F N 1.021 120.705 119.950 -0.444 0.000 2.325 1442 F HA 0.269 4.796 4.527 0.000 0.000 0.299 1442 F C 0.716 176.346 175.800 -0.284 0.000 1.090 1442 F CA -0.069 57.654 58.000 -0.461 0.000 1.392 1442 F CB 0.270 38.802 39.000 -0.779 0.000 1.053 1442 F HN -0.143 nan 8.300 nan 0.000 0.521 1443 I N 0.501 120.935 120.570 -0.226 0.000 2.460 1443 I HA 0.511 4.681 4.170 0.000 0.000 0.298 1443 I C 0.503 176.532 176.117 -0.145 0.000 0.989 1443 I CA -0.355 60.826 61.300 -0.198 0.000 1.173 1443 I CB 0.410 38.365 38.000 -0.075 0.000 1.338 1443 I HN 0.151 nan 8.210 nan 0.000 0.456 1444 G N 3.851 112.587 108.800 -0.107 0.000 3.322 1444 G HA2 -0.055 3.905 3.960 0.000 0.000 0.686 1444 G HA3 -0.055 3.905 3.960 0.000 0.000 0.686 1444 G C -0.676 174.154 174.900 -0.117 0.000 1.015 1444 G CA -0.783 44.273 45.100 -0.072 0.000 0.826 1444 G HN 0.662 nan 8.290 nan 0.000 0.538 1445 S N 3.902 119.541 115.700 -0.101 0.000 2.707 1445 S HA 0.692 5.162 4.470 0.000 0.000 0.303 1445 S C -1.901 172.652 174.600 -0.078 0.000 1.132 1445 S CA -0.808 57.336 58.200 -0.093 0.000 1.046 1445 S CB 2.048 65.192 63.200 -0.093 0.000 1.004 1445 S HN 0.748 nan 8.310 nan 0.000 0.483 1446 P HA 0.155 nan 4.420 nan 0.000 0.269 1446 P C -0.213 177.023 177.300 -0.105 0.000 1.209 1446 P CA -0.412 62.642 63.100 -0.077 0.000 0.776 1446 P CB 0.437 32.093 31.700 -0.074 0.000 0.876 1447 K N 2.107 122.449 120.400 -0.097 0.000 2.469 1447 K HA 0.048 4.368 4.320 0.000 0.000 0.274 1447 K C 0.544 177.041 176.600 -0.171 0.000 0.983 1447 K CA -0.216 56.005 56.287 -0.109 0.000 0.974 1447 K CB 0.176 32.648 32.500 -0.045 0.000 0.913 1447 K HN 0.495 nan 8.250 nan 0.000 0.493 1448 M N 3.848 123.295 119.600 -0.254 0.000 2.248 1448 M HA -0.078 4.402 4.480 0.000 0.000 0.343 1448 M C -0.419 175.523 176.300 -0.598 0.000 1.243 1448 M CA 0.390 55.425 55.300 -0.441 0.000 1.025 1448 M CB 0.309 32.564 32.600 -0.576 0.000 1.759 1448 M HN 0.532 nan 8.290 nan 0.000 0.452 1449 N N 4.584 123.005 118.700 -0.465 0.000 2.513 1449 N HA 0.246 4.986 4.740 0.000 0.000 0.268 1449 N C -1.608 173.583 175.510 -0.532 0.000 1.180 1449 N CA 0.475 53.315 53.050 -0.349 0.000 0.948 1449 N CB 0.468 38.856 38.487 -0.164 0.000 1.083 1449 N HN 0.408 nan 8.380 nan 0.000 0.455 1450 F N 1.748 121.706 119.950 0.014 0.000 2.493 1450 F HA 0.455 4.982 4.527 0.001 0.000 0.329 1450 F C -0.263 175.560 175.800 0.038 0.000 1.126 1450 F CA -0.812 57.214 58.000 0.043 0.000 0.937 1450 F CB 1.204 40.212 39.000 0.014 0.000 1.146 1450 F HN 0.098 nan 8.300 nan 0.000 0.442 1451 L N 5.429 126.789 121.223 0.229 0.000 2.385 1451 L HA 0.574 4.914 4.340 0.000 0.000 0.273 1451 L C -2.486 174.466 176.870 0.135 0.000 0.990 1451 L CA -1.922 53.001 54.840 0.138 0.000 0.821 1451 L CB 1.831 43.940 42.059 0.083 0.000 1.279 1451 L HN 0.299 nan 8.230 nan 0.000 0.412 1452 P HA 0.241 nan 4.420 nan 0.000 0.276 1452 P C -0.885 176.448 177.300 0.054 0.000 1.243 1452 P CA -0.152 62.992 63.100 0.075 0.000 0.768 1452 P CB 1.314 33.045 31.700 0.051 0.000 0.856 1453 V N 0.777 120.722 119.914 0.051 0.000 3.141 1453 V HA 0.683 4.803 4.120 0.000 0.000 0.312 1453 V C -0.712 175.389 176.094 0.012 0.000 1.157 1453 V CA -1.177 61.138 62.300 0.025 0.000 1.041 1453 V CB 2.596 34.430 31.823 0.019 0.000 1.071 1453 V HN 0.282 nan 8.190 nan 0.000 0.441 1454 K N 1.067 121.461 120.400 -0.010 0.000 2.345 1454 K HA 0.686 5.007 4.320 0.000 0.000 0.255 1454 K C -1.277 175.297 176.600 -0.042 0.000 0.934 1454 K CA -0.837 55.440 56.287 -0.018 0.000 0.801 1454 K CB 2.460 34.949 32.500 -0.019 0.000 1.137 1454 K HN 0.620 nan 8.250 nan 0.000 0.424 1455 V N 3.016 122.907 119.914 -0.038 0.000 2.479 1455 V HA -0.047 4.073 4.120 0.000 0.000 0.281 1455 V C 1.471 177.517 176.094 -0.081 0.000 1.031 1455 V CA 0.418 62.680 62.300 -0.064 0.000 1.038 1455 V CB 0.593 32.395 31.823 -0.036 0.000 0.981 1455 V HN 1.043 nan 8.190 nan 0.000 0.478 1456 T N 1.711 116.182 114.554 -0.138 0.000 3.046 1456 T HA 0.504 4.854 4.350 0.000 0.000 0.242 1456 T C 0.568 175.190 174.700 -0.131 0.000 1.018 1456 T CA 0.561 62.580 62.100 -0.135 0.000 1.131 1456 T CB 0.422 69.188 68.868 -0.171 0.000 0.904 1456 T HN 0.935 nan 8.240 nan 0.000 0.459 1457 A N 0.237 122.932 122.820 -0.208 0.000 2.566 1457 A HA 0.736 5.056 4.320 0.000 0.000 0.292 1457 A C -0.884 176.683 177.584 -0.028 0.000 1.112 1457 A CA -0.719 51.253 52.037 -0.110 0.000 0.707 1457 A CB 1.726 20.669 19.000 -0.095 0.000 1.302 1457 A HN 0.164 nan 8.150 nan 0.000 0.409 1458 T N 0.433 115.075 114.554 0.146 0.000 2.881 1458 T HA 0.713 5.064 4.350 0.000 0.000 0.290 1458 T C -0.104 174.757 174.700 0.269 0.000 1.000 1458 T CA 0.407 62.625 62.100 0.196 0.000 0.978 1458 T CB 1.447 70.376 68.868 0.102 0.000 0.997 1458 T HN 1.459 nan 8.240 nan 0.000 0.443 1459 A N 2.247 125.239 122.820 0.285 0.000 2.464 1459 A HA 0.836 5.156 4.320 0.000 0.000 0.268 1459 A C 0.839 178.467 177.584 0.074 0.000 1.244 1459 A CA -0.603 51.516 52.037 0.137 0.000 0.871 1459 A CB 0.271 19.274 19.000 0.005 0.000 1.400 1459 A HN 0.682 nan 8.150 nan 0.000 0.455 1460 I N -0.150 120.430 120.570 0.017 0.000 2.202 1460 I HA -0.074 4.096 4.170 0.000 0.000 0.242 1460 I C 0.378 176.506 176.117 0.018 0.000 1.091 1460 I CA 1.668 62.974 61.300 0.011 0.000 1.368 1460 I CB 0.079 38.072 38.000 -0.012 0.000 1.058 1460 I HN 0.475 nan 8.210 nan 0.000 0.410 1461 D N 0.454 120.861 120.400 0.011 0.000 2.895 1461 D HA 0.308 4.948 4.640 0.000 0.000 0.350 1461 D C -0.388 175.942 176.300 0.050 0.000 1.389 1461 D CA 0.127 54.141 54.000 0.024 0.000 0.812 1461 D CB 0.476 41.280 40.800 0.006 0.000 1.164 1461 D HN 0.259 nan 8.370 nan 0.000 0.455 1462 Q N -0.484 119.375 119.800 0.099 0.000 2.482 1462 Q HA 0.569 4.910 4.340 0.000 0.000 0.286 1462 Q C -1.454 174.730 176.000 0.306 0.000 1.007 1462 Q CA -0.880 55.048 55.803 0.208 0.000 0.801 1462 Q CB 3.327 32.185 28.738 0.201 0.000 1.455 1462 Q HN -0.140 nan 8.270 nan 0.000 0.398 1463 V N 1.621 121.723 119.914 0.314 0.000 2.569 1463 V HA 0.288 4.408 4.120 0.000 0.000 0.301 1463 V C -0.885 175.211 176.094 0.004 0.000 1.044 1463 V CA -0.678 61.721 62.300 0.167 0.000 0.874 1463 V CB 1.890 33.752 31.823 0.067 0.000 1.002 1463 V HN 0.664 nan 8.190 nan 0.000 0.424 1464 Q N 3.215 122.781 119.800 -0.390 0.000 2.256 1464 Q HA 0.709 5.050 4.340 0.000 0.000 0.254 1464 Q C -0.830 174.928 176.000 -0.403 0.000 0.916 1464 Q CA -0.393 54.930 55.803 -0.800 0.000 0.932 1464 Q CB 1.914 29.631 28.738 -1.702 0.000 1.207 1464 Q HN 0.800 nan 8.270 nan 0.000 0.426 1465 V N 0.346 120.079 119.914 -0.300 0.000 2.914 1465 V HA 0.616 4.737 4.120 0.000 0.000 0.314 1465 V C -0.972 175.031 176.094 -0.152 0.000 1.084 1465 V CA -0.982 61.215 62.300 -0.171 0.000 0.963 1465 V CB 1.924 33.693 31.823 -0.090 0.000 1.025 1465 V HN 0.872 nan 8.190 nan 0.000 0.432 1466 E N 2.283 122.421 120.200 -0.102 0.000 2.166 1466 E HA 0.557 4.907 4.350 0.000 0.000 0.275 1466 E C -1.062 175.512 176.600 -0.043 0.000 0.941 1466 E CA -0.813 55.541 56.400 -0.077 0.000 0.784 1466 E CB 1.720 31.379 29.700 -0.067 0.000 1.115 1466 E HN 0.779 nan 8.360 nan 0.000 0.399 1467 L N 6.161 127.363 121.223 -0.034 0.000 2.397 1467 L HA 0.212 4.552 4.340 0.000 0.000 0.271 1467 L C -1.380 175.485 176.870 -0.010 0.000 1.148 1467 L CA -1.466 53.365 54.840 -0.015 0.000 0.825 1467 L CB 0.643 42.695 42.059 -0.013 0.000 1.117 1467 L HN 0.544 nan 8.230 nan 0.000 0.456 1468 P HA -0.044 nan 4.420 nan 0.000 0.242 1468 P C 0.199 177.500 177.300 0.002 0.000 1.197 1468 P CA 0.622 63.724 63.100 0.003 0.000 0.765 1468 P CB 0.266 31.973 31.700 0.012 0.000 0.936 1469 M N 0.317 119.917 119.600 0.000 0.000 2.245 1469 M HA 0.148 4.628 4.480 0.000 0.000 0.330 1469 M C -1.152 175.147 176.300 -0.002 0.000 1.098 1469 M CA -1.547 53.753 55.300 0.000 0.000 1.172 1469 M CB -0.498 32.102 32.600 -0.001 0.000 1.467 1469 M HN -0.285 nan 8.290 nan 0.000 0.454 1470 P HA -0.218 nan 4.420 nan 0.000 0.217 1470 P C 0.340 177.638 177.300 -0.004 0.000 1.151 1470 P CA 1.676 64.775 63.100 -0.002 0.000 0.849 1470 P CB -0.318 31.382 31.700 -0.001 0.000 0.787 1471 N N -1.615 117.082 118.700 -0.005 0.000 2.463 1471 N HA -0.068 4.672 4.740 0.000 0.000 0.181 1471 N C -0.030 175.474 175.510 -0.010 0.000 1.078 1471 N CA -0.006 53.040 53.050 -0.007 0.000 0.902 1471 N CB -0.424 38.059 38.487 -0.007 0.000 0.970 1471 N HN -0.253 nan 8.380 nan 0.000 0.451 1472 R N 0.984 121.477 120.500 -0.011 0.000 2.974 1472 R HA -0.179 4.161 4.340 0.000 0.000 0.258 1472 R C -0.969 175.318 176.300 -0.023 0.000 0.892 1472 R CA 0.534 56.623 56.100 -0.017 0.000 0.664 1472 R CB -2.014 28.275 30.300 -0.018 0.000 1.478 1472 R HN 0.687 nan 8.270 nan 0.000 0.498 1473 Q N 1.278 121.064 119.800 -0.023 0.000 2.352 1473 Q HA 0.146 4.486 4.340 0.000 0.000 0.260 1473 Q C 0.182 176.154 176.000 -0.047 0.000 0.976 1473 Q CA 0.250 56.037 55.803 -0.027 0.000 0.881 1473 Q CB 0.859 29.585 28.738 -0.020 0.000 1.235 1473 Q HN 0.280 nan 8.270 nan 0.000 0.419 1474 Q N 1.010 120.774 119.800 -0.061 0.000 2.337 1474 Q HA 0.665 5.005 4.340 0.000 0.000 0.266 1474 Q C -1.465 174.463 176.000 -0.121 0.000 1.023 1474 Q CA -0.536 55.197 55.803 -0.117 0.000 0.829 1474 Q CB 2.684 31.334 28.738 -0.146 0.000 1.306 1474 Q HN 0.379 nan 8.270 nan 0.000 0.449 1475 V N 2.248 122.057 119.914 -0.175 0.000 2.932 1475 V HA 0.510 4.630 4.120 0.000 0.000 0.307 1475 V C -1.909 174.077 176.094 -0.180 0.000 1.147 1475 V CA -0.634 61.602 62.300 -0.106 0.000 0.951 1475 V CB 1.447 33.259 31.823 -0.018 0.000 1.031 1475 V HN 0.789 nan 8.190 nan 0.000 0.426 1476 W N 5.510 126.808 121.300 -0.005 0.000 2.316 1476 W HA 0.721 5.381 4.660 0.000 0.000 0.321 1476 W C -0.369 176.143 176.519 -0.011 0.000 1.203 1476 W CA -0.386 56.956 57.345 -0.005 0.000 1.214 1476 W CB 1.046 30.505 29.460 -0.002 0.000 1.169 1476 W HN 0.394 nan 8.180 nan 0.000 0.561 1477 L N 4.375 125.735 121.223 0.229 0.000 2.381 1477 L HA 0.356 4.696 4.340 0.000 0.000 0.274 1477 L C -2.187 174.755 176.870 0.121 0.000 0.988 1477 L CA -2.328 52.580 54.840 0.115 0.000 0.824 1477 L CB 1.934 44.016 42.059 0.038 0.000 1.263 1477 L HN 0.115 nan 8.230 nan 0.000 0.410 1478 P HA 0.086 nan 4.420 nan 0.000 0.238 1478 P C -0.534 176.809 177.300 0.072 0.000 1.729 1478 P CA 0.343 63.494 63.100 0.085 0.000 1.055 1478 P CB 0.276 32.034 31.700 0.098 0.000 1.980 1479 V N 0.724 120.680 119.914 0.069 0.000 3.040 1479 V HA 0.280 4.400 4.120 0.000 0.000 0.312 1479 V C -0.116 176.011 176.094 0.054 0.000 1.115 1479 V CA -1.247 61.083 62.300 0.051 0.000 0.998 1479 V CB 2.681 34.516 31.823 0.021 0.000 1.042 1479 V HN 0.108 nan 8.190 nan 0.000 0.433 1480 E N 1.586 121.813 120.200 0.045 0.000 2.415 1480 E HA 0.071 4.421 4.350 0.000 0.000 0.263 1480 E C 0.665 177.292 176.600 0.045 0.000 0.995 1480 E CA 0.540 56.965 56.400 0.041 0.000 0.915 1480 E CB 1.143 30.864 29.700 0.035 0.000 0.951 1480 E HN 0.708 nan 8.360 nan 0.000 0.449 1481 S N 3.879 119.608 115.700 0.048 0.000 2.486 1481 S HA -0.016 4.454 4.470 0.000 0.000 0.220 1481 S C 0.632 175.259 174.600 0.046 0.000 1.011 1481 S CA -0.147 58.086 58.200 0.056 0.000 0.921 1481 S CB 0.158 63.398 63.200 0.067 0.000 0.785 1481 S HN 0.551 nan 8.310 nan 0.000 0.517 1482 R N 1.208 121.730 120.500 0.038 0.000 2.734 1482 R HA 0.080 4.420 4.340 0.000 0.000 0.266 1482 R C -0.326 175.995 176.300 0.035 0.000 1.044 1482 R CA 0.609 56.729 56.100 0.033 0.000 1.128 1482 R CB -0.130 30.187 30.300 0.028 0.000 1.010 1482 R HN 0.089 nan 8.270 nan 0.000 0.461 1483 D N 0.451 120.870 120.400 0.032 0.000 2.751 1483 D HA -0.132 4.509 4.640 0.000 0.000 0.233 1483 D C -1.451 174.869 176.300 0.035 0.000 1.149 1483 D CA 0.901 54.920 54.000 0.033 0.000 0.682 1483 D CB -0.523 40.298 40.800 0.035 0.000 1.068 1483 D HN 0.324 nan 8.370 nan 0.000 0.429 1484 V N 2.167 122.101 119.914 0.034 0.000 2.380 1484 V HA 0.290 4.410 4.120 0.000 0.000 0.286 1484 V C 0.132 176.242 176.094 0.028 0.000 1.015 1484 V CA -0.874 61.445 62.300 0.032 0.000 0.834 1484 V CB 1.821 33.664 31.823 0.034 0.000 1.009 1484 V HN -0.006 nan 8.190 nan 0.000 0.428 1485 Q N 3.211 123.025 119.800 0.023 0.000 2.274 1485 Q HA 0.432 4.772 4.340 0.000 0.000 0.256 1485 Q C -0.175 175.832 176.000 0.013 0.000 0.927 1485 Q CA -0.505 55.310 55.803 0.019 0.000 0.939 1485 Q CB 2.005 30.754 28.738 0.018 0.000 1.201 1485 Q HN 0.553 nan 8.270 nan 0.000 0.426 1486 V N 1.887 121.808 119.914 0.011 0.000 2.644 1486 V HA 0.181 4.301 4.120 0.000 0.000 0.305 1486 V C 1.518 177.610 176.094 -0.002 0.000 1.053 1486 V CA 1.612 63.913 62.300 0.001 0.000 1.186 1486 V CB 0.009 31.835 31.823 0.004 0.000 0.895 1486 V HN 1.095 nan 8.190 nan 0.000 0.490 1487 G N 3.122 111.915 108.800 -0.011 0.000 2.213 1487 G HA2 -0.091 3.869 3.960 0.000 0.000 0.236 1487 G HA3 -0.091 3.869 3.960 0.000 0.000 0.236 1487 G C 0.451 175.350 174.900 -0.003 0.000 0.991 1487 G CA 0.129 45.224 45.100 -0.009 0.000 0.629 1487 G HN 1.614 nan 8.290 nan 0.000 0.517 1488 A N 0.422 123.243 122.820 0.001 0.000 2.498 1488 A HA 0.519 4.839 4.320 0.000 0.000 0.239 1488 A C 0.527 178.117 177.584 0.011 0.000 1.068 1488 A CA 0.093 52.136 52.037 0.010 0.000 0.766 1488 A CB 0.163 19.172 19.000 0.016 0.000 1.003 1488 A HN 0.402 nan 8.150 nan 0.000 0.497 1489 N N 1.930 120.640 118.700 0.017 0.000 2.497 1489 N HA 0.354 5.094 4.740 0.000 0.000 0.271 1489 N C -0.412 175.122 175.510 0.039 0.000 1.142 1489 N CA 0.290 53.354 53.050 0.023 0.000 0.965 1489 N CB 0.931 39.430 38.487 0.021 0.000 1.077 1489 N HN 0.531 nan 8.380 nan 0.000 0.462 1490 M N 0.060 119.689 119.600 0.049 0.000 2.691 1490 M HA 0.280 4.760 4.480 0.000 0.000 0.293 1490 M C -0.221 176.147 176.300 0.113 0.000 1.259 1490 M CA -0.706 54.641 55.300 0.078 0.000 0.827 1490 M CB 1.660 34.296 32.600 0.060 0.000 1.753 1490 M HN 0.194 nan 8.290 nan 0.000 0.465 1491 S N 1.393 117.206 115.700 0.189 0.000 2.566 1491 S HA 0.599 5.069 4.470 0.000 0.000 0.324 1491 S C -1.063 173.758 174.600 0.368 0.000 1.081 1491 S CA -0.591 57.775 58.200 0.277 0.000 1.105 1491 S CB 0.451 63.824 63.200 0.288 0.000 0.981 1491 S HN 0.617 nan 8.310 nan 0.000 0.464 1492 L N 5.395 126.778 121.223 0.267 0.000 2.319 1492 L HA 0.685 5.025 4.340 0.000 0.000 0.280 1492 L C 0.494 177.537 176.870 0.288 0.000 1.099 1492 L CA -0.096 54.870 54.840 0.210 0.000 0.828 1492 L CB 0.507 42.629 42.059 0.104 0.000 1.150 1492 L HN 0.704 nan 8.230 nan 0.000 0.442 1493 G N 5.757 114.731 108.800 0.289 0.000 2.422 1493 G HA2 0.555 4.516 3.960 0.000 0.000 0.317 1493 G HA3 0.555 4.516 3.960 0.000 0.000 0.317 1493 G C -1.450 173.509 174.900 0.097 0.000 1.210 1493 G CA -0.352 44.858 45.100 0.184 0.000 0.930 1493 G HN 0.558 nan 8.290 nan 0.000 0.468 1494 I N 1.658 122.194 120.570 -0.057 0.000 2.512 1494 I HA 0.453 4.624 4.170 0.000 0.000 0.287 1494 I C 0.081 176.135 176.117 -0.106 0.000 1.069 1494 I CA -0.893 60.401 61.300 -0.010 0.000 1.056 1494 I CB 1.502 39.511 38.000 0.015 0.000 1.229 1494 I HN 0.448 nan 8.210 nan 0.000 0.429 1495 R N 7.646 128.077 120.500 -0.116 0.000 2.543 1495 R HA 0.249 4.589 4.340 0.000 0.000 0.277 1495 R C -1.776 174.436 176.300 -0.147 0.000 1.074 1495 R CA -1.260 54.693 56.100 -0.244 0.000 1.076 1495 R CB 0.186 30.191 30.300 -0.492 0.000 0.993 1495 R HN 0.426 nan 8.270 nan 0.000 0.459 1496 P HA -0.188 nan 4.420 nan 0.000 0.216 1496 P C 0.251 177.512 177.300 -0.066 0.000 1.150 1496 P CA 1.336 64.401 63.100 -0.059 0.000 0.843 1496 P CB 0.267 31.907 31.700 -0.101 0.000 0.787 1497 E N -1.802 118.323 120.200 -0.124 0.000 2.204 1497 E HA -0.182 4.168 4.350 0.000 0.000 0.195 1497 E C 1.583 178.255 176.600 0.120 0.000 0.990 1497 E CA 1.075 57.438 56.400 -0.062 0.000 0.821 1497 E CB -0.829 28.822 29.700 -0.082 0.000 0.750 1497 E HN 0.574 nan 8.360 nan 0.000 0.477 1498 H N -0.695 118.401 119.070 0.044 0.000 2.592 1498 H HA 0.208 4.764 4.556 0.000 0.000 0.265 1498 H C 0.131 175.502 175.328 0.072 0.000 0.955 1498 H CA -0.676 55.403 56.048 0.052 0.000 1.175 1498 H CB 0.425 30.204 29.762 0.029 0.000 1.433 1498 H HN 0.021 nan 8.280 nan 0.000 0.537 1499 L N 2.374 123.739 121.223 0.235 0.000 2.453 1499 L HA 0.054 4.394 4.340 0.000 0.000 0.272 1499 L C -0.223 176.829 176.870 0.303 0.000 1.182 1499 L CA 0.059 55.050 54.840 0.251 0.000 0.858 1499 L CB 0.742 43.006 42.059 0.342 0.000 1.120 1499 L HN 0.116 nan 8.230 nan 0.000 0.474 1500 L N 4.409 125.744 121.223 0.187 0.000 2.375 1500 L HA 0.470 4.810 4.340 0.000 0.000 0.268 1500 L C -2.063 174.887 176.870 0.132 0.000 1.058 1500 L CA -1.971 52.964 54.840 0.158 0.000 0.803 1500 L CB 1.071 43.177 42.059 0.077 0.000 1.212 1500 L HN 0.370 nan 8.230 nan 0.000 0.451 1501 P HA 0.131 nan 4.420 nan 0.000 0.273 1501 P C 0.137 177.420 177.300 -0.029 0.000 1.250 1501 P CA -0.276 62.863 63.100 0.066 0.000 0.793 1501 P CB 0.602 32.362 31.700 0.100 0.000 1.011 1502 S N 1.084 116.719 115.700 -0.109 0.000 2.378 1502 S HA -0.247 4.223 4.470 0.000 0.000 0.221 1502 S C 1.326 175.883 174.600 -0.072 0.000 1.037 1502 S CA 2.310 60.432 58.200 -0.129 0.000 1.069 1502 S CB -1.432 61.645 63.200 -0.205 0.000 1.006 1502 S HN 0.735 nan 8.310 nan 0.000 0.423 1503 D N 1.086 121.450 120.400 -0.060 0.000 2.350 1503 D HA -0.030 4.610 4.640 0.000 0.000 0.216 1503 D C 1.504 177.793 176.300 -0.018 0.000 0.968 1503 D CA 0.368 54.345 54.000 -0.037 0.000 0.894 1503 D CB -0.267 40.513 40.800 -0.033 0.000 0.909 1503 D HN 0.271 nan 8.370 nan 0.000 0.520 1504 I N 0.708 121.273 120.570 -0.008 0.000 2.226 1504 I HA -0.003 4.167 4.170 0.000 0.000 0.245 1504 I C 1.508 177.626 176.117 0.003 0.000 1.100 1504 I CA 0.821 62.125 61.300 0.006 0.000 1.374 1504 I CB -1.168 36.846 38.000 0.022 0.000 1.057 1504 I HN 0.247 nan 8.210 nan 0.000 0.413 1505 A N -0.173 122.646 122.820 -0.002 0.000 2.681 1505 A HA 0.453 4.773 4.320 0.000 0.000 0.278 1505 A C 0.449 178.029 177.584 -0.007 0.000 1.272 1505 A CA -0.377 51.659 52.037 -0.001 0.000 0.750 1505 A CB 0.603 19.605 19.000 0.004 0.000 1.351 1505 A HN 0.112 nan 8.150 nan 0.000 0.514 1506 D N -0.530 119.868 120.400 -0.003 0.000 2.584 1506 D HA 0.087 4.728 4.640 0.000 0.000 0.254 1506 D C 0.509 176.805 176.300 -0.006 0.000 1.085 1506 D CA 0.994 54.992 54.000 -0.002 0.000 0.971 1506 D CB -0.660 40.144 40.800 0.008 0.000 1.103 1506 D HN 0.169 nan 8.370 nan 0.000 0.453 1507 V N 2.790 122.702 119.914 -0.002 0.000 2.393 1507 V HA 0.159 4.279 4.120 0.000 0.000 0.257 1507 V C 0.917 177.003 176.094 -0.014 0.000 1.040 1507 V CA -0.018 62.279 62.300 -0.005 0.000 1.097 1507 V CB -0.980 30.843 31.823 -0.001 0.000 1.101 1507 V HN 0.155 nan 8.190 nan 0.000 0.479 1508 I N 5.290 125.847 120.570 -0.021 0.000 2.677 1508 I HA 0.851 5.021 4.170 0.000 0.000 0.305 1508 I C -0.303 175.797 176.117 -0.028 0.000 0.988 1508 I CA -0.853 60.427 61.300 -0.034 0.000 1.260 1508 I CB 1.272 39.245 38.000 -0.045 0.000 1.410 1508 I HN 0.560 nan 8.210 nan 0.000 0.523 1509 L N 4.033 125.236 121.223 -0.032 0.000 2.529 1509 L HA 0.606 4.946 4.340 0.000 0.000 0.260 1509 L C 0.476 177.336 176.870 -0.016 0.000 0.997 1509 L CA -0.300 54.529 54.840 -0.019 0.000 0.885 1509 L CB 0.942 42.995 42.059 -0.010 0.000 1.185 1509 L HN 1.000 nan 8.230 nan 0.000 0.442 1510 E N 1.059 121.250 120.200 -0.015 0.000 2.374 1510 E HA 0.825 5.176 4.350 0.000 0.000 0.260 1510 E C 0.386 176.997 176.600 0.019 0.000 1.101 1510 E CA 0.090 56.487 56.400 -0.006 0.000 0.907 1510 E CB 1.252 30.944 29.700 -0.014 0.000 1.014 1510 E HN 0.896 nan 8.360 nan 0.000 0.427 1511 G N -1.593 107.232 108.800 0.042 0.000 2.368 1511 G HA2 0.615 4.575 3.960 0.000 0.000 0.293 1511 G HA3 0.615 4.575 3.960 0.000 0.000 0.293 1511 G C -0.776 174.168 174.900 0.073 0.000 1.467 1511 G CA 0.221 45.351 45.100 0.050 0.000 0.804 1511 G HN 1.011 nan 8.290 nan 0.000 0.535 1512 E N -0.412 119.822 120.200 0.057 0.000 2.227 1512 E HA 0.605 4.955 4.350 0.000 0.000 0.282 1512 E C 0.123 176.757 176.600 0.056 0.000 1.015 1512 E CA -0.665 55.770 56.400 0.058 0.000 0.823 1512 E CB 1.614 31.338 29.700 0.040 0.000 1.081 1512 E HN 1.205 nan 8.360 nan 0.000 0.396 1513 V N 3.949 123.896 119.914 0.056 0.000 2.479 1513 V HA 0.021 4.141 4.120 0.000 0.000 0.281 1513 V C 0.951 177.059 176.094 0.025 0.000 1.031 1513 V CA -0.213 62.103 62.300 0.027 0.000 1.038 1513 V CB 0.970 32.788 31.823 -0.008 0.000 0.981 1513 V HN 0.896 nan 8.190 nan 0.000 0.478 1514 Q N 3.813 123.636 119.800 0.039 0.000 2.226 1514 Q HA 0.216 4.556 4.340 0.000 0.000 0.199 1514 Q C 0.096 176.092 176.000 -0.007 0.000 0.945 1514 Q CA 0.828 56.649 55.803 0.031 0.000 0.861 1514 Q CB 0.666 29.441 28.738 0.061 0.000 0.953 1514 Q HN 0.566 nan 8.270 nan 0.000 0.490 1515 V N 1.427 121.326 119.914 -0.024 0.000 2.577 1515 V HA 0.373 4.493 4.120 0.000 0.000 0.303 1515 V C -0.602 175.403 176.094 -0.148 0.000 1.042 1515 V CA -0.795 61.411 62.300 -0.157 0.000 0.872 1515 V CB 2.362 33.936 31.823 -0.415 0.000 0.998 1515 V HN -0.144 nan 8.190 nan 0.000 0.423 1516 V N 3.570 123.410 119.914 -0.124 0.000 2.483 1516 V HA 0.590 4.710 4.120 0.000 0.000 0.295 1516 V C -0.244 175.785 176.094 -0.109 0.000 1.035 1516 V CA -0.558 61.683 62.300 -0.098 0.000 0.896 1516 V CB 1.804 33.586 31.823 -0.069 0.000 0.986 1516 V HN 0.951 nan 8.190 nan 0.000 0.447 1517 E N 2.667 122.812 120.200 -0.091 0.000 2.316 1517 E HA 0.326 4.676 4.350 0.000 0.000 0.254 1517 E C -1.141 175.425 176.600 -0.056 0.000 0.902 1517 E CA -0.596 55.755 56.400 -0.082 0.000 0.801 1517 E CB 1.253 30.895 29.700 -0.097 0.000 1.270 1517 E HN 0.654 nan 8.360 nan 0.000 0.414 1518 Q N 4.245 124.017 119.800 -0.047 0.000 2.296 1518 Q HA 0.263 4.603 4.340 0.000 0.000 0.257 1518 Q C 0.456 176.435 176.000 -0.035 0.000 0.942 1518 Q CA -0.094 55.687 55.803 -0.037 0.000 0.939 1518 Q CB 1.797 30.518 28.738 -0.029 0.000 1.198 1518 Q HN 0.702 nan 8.270 nan 0.000 0.429 1519 L N 0.609 121.812 121.223 -0.034 0.000 2.858 1519 L HA 0.216 4.557 4.340 0.000 0.000 0.251 1519 L C 1.184 178.037 176.870 -0.027 0.000 1.149 1519 L CA 0.434 55.255 54.840 -0.032 0.000 0.955 1519 L CB 0.442 42.480 42.059 -0.036 0.000 1.289 1519 L HN 0.986 nan 8.230 nan 0.000 0.542 1520 G N 1.586 110.371 108.800 -0.025 0.000 4.677 1520 G HA2 -0.383 3.577 3.960 0.000 0.000 0.215 1520 G HA3 -0.383 3.577 3.960 0.000 0.000 0.215 1520 G C 0.951 175.839 174.900 -0.021 0.000 1.506 1520 G CA 0.371 45.459 45.100 -0.020 0.000 1.016 1520 G HN 0.367 nan 8.290 nan 0.000 0.653 1521 N N 2.905 121.590 118.700 -0.024 0.000 2.270 1521 N HA 0.047 4.787 4.740 0.000 0.000 0.181 1521 N C 0.860 176.350 175.510 -0.033 0.000 1.016 1521 N CA 2.027 55.062 53.050 -0.026 0.000 0.870 1521 N CB -0.188 38.283 38.487 -0.027 0.000 0.979 1521 N HN 0.947 nan 8.380 nan 0.000 0.431 1522 E N -1.004 119.171 120.200 -0.040 0.000 2.433 1522 E HA 0.525 4.875 4.350 0.000 0.000 0.273 1522 E C -1.444 175.122 176.600 -0.058 0.000 0.950 1522 E CA -0.950 55.416 56.400 -0.056 0.000 0.796 1522 E CB 1.649 31.308 29.700 -0.067 0.000 1.330 1522 E HN -0.153 nan 8.360 nan 0.000 0.455 1523 T N 1.352 115.858 114.554 -0.079 0.000 2.881 1523 T HA 0.266 4.616 4.350 0.000 0.000 0.291 1523 T C -0.927 173.712 174.700 -0.102 0.000 0.990 1523 T CA -0.672 61.383 62.100 -0.075 0.000 0.976 1523 T CB 1.346 70.181 68.868 -0.056 0.000 0.970 1523 T HN 0.366 nan 8.240 nan 0.000 0.438 1524 Q N 2.870 122.634 119.800 -0.062 0.000 2.314 1524 Q HA 0.504 4.844 4.340 0.000 0.000 0.259 1524 Q C -0.577 175.445 176.000 0.038 0.000 0.951 1524 Q CA -0.781 55.011 55.803 -0.018 0.000 0.909 1524 Q CB 1.395 30.154 28.738 0.035 0.000 1.236 1524 Q HN 0.482 nan 8.270 nan 0.000 0.444 1525 I N 2.848 123.467 120.570 0.082 0.000 2.378 1525 I HA 0.277 4.447 4.170 0.000 0.000 0.291 1525 I C -0.491 175.759 176.117 0.222 0.000 0.992 1525 I CA -0.809 60.544 61.300 0.088 0.000 1.154 1525 I CB 1.157 39.135 38.000 -0.037 0.000 1.315 1525 I HN 0.556 nan 8.210 nan 0.000 0.448 1526 H N 6.292 125.334 119.070 -0.047 0.000 2.556 1526 H HA 0.582 5.138 4.556 0.000 0.000 0.310 1526 H C -0.275 175.037 175.328 -0.027 0.000 1.057 1526 H CA -0.343 55.691 56.048 -0.023 0.000 1.264 1526 H CB 1.117 30.866 29.762 -0.021 0.000 1.404 1526 H HN 0.393 nan 8.280 nan 0.000 0.462 1527 I N 2.149 122.752 120.570 0.055 0.000 2.433 1527 I HA 0.237 4.408 4.170 0.000 0.000 0.292 1527 I C 0.034 176.172 176.117 0.036 0.000 1.001 1527 I CA -0.824 60.501 61.300 0.041 0.000 1.119 1527 I CB 1.944 39.967 38.000 0.037 0.000 1.289 1527 I HN 0.384 nan 8.210 nan 0.000 0.438 1528 Q N 6.394 126.219 119.800 0.041 0.000 2.331 1528 Q HA 0.546 4.886 4.340 0.000 0.000 0.257 1528 Q C -1.265 174.753 176.000 0.029 0.000 0.957 1528 Q CA -0.449 55.373 55.803 0.033 0.000 0.923 1528 Q CB 1.100 29.858 28.738 0.034 0.000 1.212 1528 Q HN 0.588 nan 8.270 nan 0.000 0.443 1529 I N 6.446 127.030 120.570 0.023 0.000 2.404 1529 I HA 0.352 4.522 4.170 0.000 0.000 0.293 1529 I C -2.097 174.030 176.117 0.016 0.000 0.992 1529 I CA -2.726 58.585 61.300 0.019 0.000 1.149 1529 I CB 1.719 39.728 38.000 0.016 0.000 1.315 1529 I HN 0.514 nan 8.210 nan 0.000 0.446 1530 P HA 0.002 nan 4.420 nan 0.000 0.260 1530 P C 0.556 177.863 177.300 0.011 0.000 1.172 1530 P CA 1.164 64.271 63.100 0.012 0.000 0.760 1530 P CB 0.331 32.037 31.700 0.009 0.000 0.773 1531 S N 1.100 116.807 115.700 0.012 0.000 2.659 1531 S HA -0.197 4.273 4.470 0.000 0.000 0.264 1531 S C 0.329 174.939 174.600 0.016 0.000 1.310 1531 S CA 0.707 58.914 58.200 0.012 0.000 1.262 1531 S CB -2.465 60.740 63.200 0.009 0.000 1.548 1531 S HN 0.325 nan 8.310 nan 0.000 0.657 1532 I N 0.590 121.171 120.570 0.018 0.000 2.378 1532 I HA 0.698 4.868 4.170 0.000 0.000 0.291 1532 I C 1.353 177.483 176.117 0.023 0.000 0.992 1532 I CA 0.073 61.387 61.300 0.023 0.000 1.154 1532 I CB 1.477 39.492 38.000 0.025 0.000 1.315 1532 I HN 0.393 nan 8.210 nan 0.000 0.448 1533 R N 4.571 125.086 120.500 0.025 0.000 2.062 1533 R HA 0.077 4.417 4.340 0.000 0.000 0.231 1533 R C 0.916 177.231 176.300 0.024 0.000 1.136 1533 R CA 1.067 57.181 56.100 0.023 0.000 0.948 1533 R CB -0.812 29.501 30.300 0.021 0.000 0.845 1533 R HN 0.677 nan 8.270 nan 0.000 0.430 1534 Q N 1.590 121.407 119.800 0.028 0.000 2.304 1534 Q HA 0.136 4.476 4.340 0.000 0.000 0.260 1534 Q C -0.933 175.074 176.000 0.011 0.000 0.965 1534 Q CA -0.235 55.583 55.803 0.025 0.000 0.898 1534 Q CB 0.733 29.494 28.738 0.038 0.000 1.196 1534 Q HN 0.605 nan 8.270 nan 0.000 0.402 1535 N N 1.683 120.384 118.700 0.001 0.000 2.454 1535 N HA -0.006 4.734 4.740 0.000 0.000 0.260 1535 N C -0.529 174.939 175.510 -0.070 0.000 1.218 1535 N CA -0.304 52.736 53.050 -0.017 0.000 0.904 1535 N CB 0.443 38.933 38.487 0.005 0.000 1.065 1535 N HN 0.247 nan 8.380 nan 0.000 0.462 1536 L N 3.884 125.076 121.223 -0.051 0.000 2.360 1536 L HA 0.167 4.507 4.340 0.000 0.000 0.276 1536 L C -0.566 176.237 176.870 -0.112 0.000 1.121 1536 L CA -0.098 54.705 54.840 -0.062 0.000 0.845 1536 L CB 1.025 43.075 42.059 -0.016 0.000 1.143 1536 L HN 0.238 nan 8.230 nan 0.000 0.452 1537 V N 5.567 125.386 119.914 -0.158 0.000 2.509 1537 V HA 0.285 4.405 4.120 0.000 0.000 0.284 1537 V C -0.683 175.413 176.094 0.003 0.000 1.047 1537 V CA -0.639 61.538 62.300 -0.205 0.000 0.952 1537 V CB 1.061 32.714 31.823 -0.283 0.000 0.988 1537 V HN 0.615 nan 8.190 nan 0.000 0.469 1538 Y N 4.609 124.849 120.300 -0.100 0.000 2.442 1538 Y HA 0.645 5.195 4.550 0.000 0.000 0.344 1538 Y C -0.227 175.650 175.900 -0.037 0.000 0.976 1538 Y CA -1.255 56.814 58.100 -0.052 0.000 1.040 1538 Y CB 1.745 40.183 38.460 -0.036 0.000 1.228 1538 Y HN 0.569 nan 8.280 nan 0.000 0.451 1539 R N 4.062 124.132 120.500 -0.718 0.000 2.310 1539 R HA 0.589 4.930 4.340 0.000 0.000 0.324 1539 R C -0.411 175.352 176.300 -0.895 0.000 0.955 1539 R CA -0.435 55.294 56.100 -0.618 0.000 0.830 1539 R CB 1.333 31.454 30.300 -0.300 0.000 1.154 1539 R HN 0.866 nan 8.270 nan 0.000 0.458 1540 Q N 0.682 120.089 119.800 -0.655 0.000 2.212 1540 Q HA 0.429 4.769 4.340 0.000 0.000 0.238 1540 Q C 0.140 176.058 176.000 -0.135 0.000 0.955 1540 Q CA -0.146 55.456 55.803 -0.335 0.000 0.906 1540 Q CB 0.130 28.838 28.738 -0.050 0.000 1.215 1540 Q HN 0.849 nan 8.270 nan 0.000 0.478 1541 N N 0.162 118.843 118.700 -0.031 0.000 2.475 1541 N HA 0.463 5.203 4.740 0.000 0.000 0.267 1541 N C 1.068 176.575 175.510 -0.005 0.000 1.169 1541 N CA 1.494 54.539 53.050 -0.010 0.000 0.947 1541 N CB -0.861 37.640 38.487 0.024 0.000 1.061 1541 N HN 1.764 nan 8.380 nan 0.000 0.466 1542 D N -0.819 119.571 120.400 -0.016 0.000 4.435 1542 D HA -0.203 4.437 4.640 0.000 0.000 0.235 1542 D C 0.510 176.802 176.300 -0.013 0.000 0.580 1542 D CA 2.521 56.513 54.000 -0.012 0.000 1.063 1542 D CB -1.570 39.229 40.800 -0.001 0.000 0.562 1542 D HN 1.478 nan 8.370 nan 0.000 0.392 1543 V N 0.120 120.034 119.914 -0.000 0.000 2.531 1543 V HA 0.794 4.914 4.120 0.000 0.000 0.301 1543 V C 0.607 176.714 176.094 0.022 0.000 1.034 1543 V CA -0.180 62.122 62.300 0.003 0.000 0.865 1543 V CB 0.709 32.534 31.823 0.002 0.000 0.995 1543 V HN 1.715 nan 8.190 nan 0.000 0.424 1544 V N 3.965 123.895 119.914 0.028 0.000 2.417 1544 V HA 0.878 4.998 4.120 0.000 0.000 0.291 1544 V C 0.164 176.291 176.094 0.055 0.000 1.024 1544 V CA -0.701 61.637 62.300 0.064 0.000 0.861 1544 V CB 1.726 33.613 31.823 0.107 0.000 0.985 1544 V HN 1.127 nan 8.190 nan 0.000 0.436 1545 L N 4.826 126.091 121.223 0.070 0.000 2.356 1545 L HA 0.853 5.193 4.340 0.000 0.000 0.282 1545 L C 0.045 176.966 176.870 0.085 0.000 1.132 1545 L CA 0.120 54.995 54.840 0.059 0.000 0.923 1545 L CB -0.162 41.927 42.059 0.050 0.000 1.278 1545 L HN 1.982 nan 8.230 nan 0.000 0.436 1546 V N 1.143 121.094 119.914 0.063 0.000 2.656 1546 V HA 0.926 5.047 4.120 0.000 0.000 0.307 1546 V C 0.024 176.137 176.094 0.033 0.000 1.051 1546 V CA -0.343 62.002 62.300 0.075 0.000 0.893 1546 V CB 1.428 33.263 31.823 0.020 0.000 0.999 1546 V HN 1.176 nan 8.190 nan 0.000 0.426 1547 E N 2.723 122.953 120.200 0.050 0.000 2.231 1547 E HA 0.572 4.922 4.350 0.000 0.000 0.277 1547 E C -0.058 176.555 176.600 0.021 0.000 0.999 1547 E CA -0.330 56.087 56.400 0.029 0.000 0.827 1547 E CB 1.269 30.990 29.700 0.035 0.000 1.101 1547 E HN 0.993 nan 8.360 nan 0.000 0.393 1548 E N 0.353 120.555 120.200 0.003 0.000 2.392 1548 E HA 0.342 4.693 4.350 0.000 0.000 0.264 1548 E C 1.182 177.790 176.600 0.013 0.000 1.024 1548 E CA 1.304 57.703 56.400 -0.002 0.000 0.903 1548 E CB 0.324 30.016 29.700 -0.014 0.000 0.963 1548 E HN 1.017 nan 8.360 nan 0.000 0.432 1549 G N 2.896 111.707 108.800 0.018 0.000 2.454 1549 G HA2 -0.345 3.615 3.960 0.000 0.000 0.225 1549 G HA3 -0.345 3.615 3.960 0.000 0.000 0.225 1549 G C 0.410 175.334 174.900 0.040 0.000 1.138 1549 G CA 0.074 45.189 45.100 0.025 0.000 0.667 1549 G HN 0.961 nan 8.290 nan 0.000 0.512 1550 A N 0.553 123.404 122.820 0.051 0.000 2.507 1550 A HA 0.539 4.860 4.320 0.000 0.000 0.235 1550 A C 0.910 178.554 177.584 0.101 0.000 1.070 1550 A CA 1.712 53.792 52.037 0.071 0.000 0.768 1550 A CB 0.065 19.116 19.000 0.086 0.000 1.011 1550 A HN 1.567 nan 8.150 nan 0.000 0.502 1551 T N 0.513 115.121 114.554 0.090 0.000 2.918 1551 T HA 0.474 4.824 4.350 0.000 0.000 0.302 1551 T C -0.742 174.060 174.700 0.169 0.000 1.045 1551 T CA 0.335 62.494 62.100 0.098 0.000 1.114 1551 T CB -0.334 68.560 68.868 0.043 0.000 0.965 1551 T HN 0.477 nan 8.240 nan 0.000 0.540 1552 F N 2.097 122.033 119.950 -0.024 0.000 2.601 1552 F HA 0.669 5.196 4.527 -0.000 0.000 0.309 1552 F C -0.691 175.067 175.800 -0.070 0.000 1.089 1552 F CA -0.764 57.210 58.000 -0.044 0.000 0.940 1552 F CB 1.841 40.815 39.000 -0.044 0.000 1.273 1552 F HN 0.747 nan 8.300 nan 0.000 0.450 1553 A N 5.125 127.677 122.820 -0.445 0.000 2.355 1553 A HA 0.874 5.194 4.320 0.000 0.000 0.317 1553 A C -1.374 176.042 177.584 -0.280 0.000 1.094 1553 A CA -0.615 51.263 52.037 -0.264 0.000 0.764 1553 A CB 1.015 19.861 19.000 -0.256 0.000 1.230 1553 A HN 0.763 nan 8.150 nan 0.000 0.448 1554 I N -0.214 120.269 120.570 -0.146 0.000 2.686 1554 I HA 0.808 4.978 4.170 0.000 0.000 0.295 1554 I C 0.316 176.377 176.117 -0.093 0.000 1.114 1554 I CA -0.990 60.206 61.300 -0.173 0.000 1.038 1554 I CB 2.138 39.981 38.000 -0.262 0.000 1.238 1554 I HN 0.642 nan 8.210 nan 0.000 0.420 1555 G N 4.014 112.777 108.800 -0.061 0.000 2.507 1555 G HA2 0.595 4.555 3.960 0.000 0.000 0.271 1555 G HA3 0.595 4.555 3.960 0.000 0.000 0.271 1555 G C -1.228 173.676 174.900 0.007 0.000 1.189 1555 G CA -0.686 44.402 45.100 -0.019 0.000 0.859 1555 G HN 0.720 nan 8.290 nan 0.000 0.542 1556 L N 2.460 123.687 121.223 0.006 0.000 2.377 1556 L HA 0.431 4.771 4.340 0.000 0.000 0.270 1556 L C -2.272 174.601 176.870 0.005 0.000 0.991 1556 L CA -2.050 52.798 54.840 0.012 0.000 0.851 1556 L CB 2.748 44.810 42.059 0.006 0.000 1.218 1556 L HN 0.298 nan 8.230 nan 0.000 0.420 1557 P HA 0.362 nan 4.420 nan 0.000 0.291 1557 P C -2.462 174.806 177.300 -0.053 0.000 1.340 1557 P CA -1.848 61.235 63.100 -0.028 0.000 0.799 1557 P CB 1.128 32.801 31.700 -0.044 0.000 0.917 1558 P HA -0.151 nan 4.420 nan 0.000 0.220 1558 P C 1.078 178.327 177.300 -0.085 0.000 1.148 1558 P CA 1.333 64.413 63.100 -0.034 0.000 0.803 1558 P CB 0.153 31.863 31.700 0.016 0.000 0.782 1559 E N -0.341 119.774 120.200 -0.142 0.000 2.153 1559 E HA -0.126 4.224 4.350 0.000 0.000 0.194 1559 E C 1.334 177.688 176.600 -0.409 0.000 0.988 1559 E CA 1.034 57.258 56.400 -0.293 0.000 0.811 1559 E CB -0.519 28.902 29.700 -0.465 0.000 0.746 1559 E HN 0.243 nan 8.360 nan 0.000 0.466 1560 R N -0.338 119.965 120.500 -0.329 0.000 2.694 1560 R HA 0.282 4.623 4.340 0.000 0.000 0.334 1560 R C -0.768 175.403 176.300 -0.216 0.000 1.143 1560 R CA -0.282 55.631 56.100 -0.311 0.000 1.073 1560 R CB 0.105 30.205 30.300 -0.333 0.000 1.366 1560 R HN 0.073 nan 8.270 nan 0.000 0.577 1561 C N 0.717 119.888 119.300 -0.215 0.000 2.350 1561 C HA 0.345 4.805 4.460 0.000 0.000 0.348 1561 C C 0.395 175.215 174.990 -0.284 0.000 1.260 1561 C CA -0.646 58.279 59.018 -0.156 0.000 1.966 1561 C CB 0.165 27.861 27.740 -0.072 0.000 2.380 1561 C HN 0.506 nan 8.230 nan 0.000 0.535 1562 H N 1.266 120.292 119.070 -0.073 0.000 2.483 1562 H HA 0.703 5.260 4.556 0.000 0.000 0.338 1562 H C -0.529 174.602 175.328 -0.329 0.000 1.152 1562 H CA -0.476 55.443 56.048 -0.214 0.000 1.264 1562 H CB 0.915 30.567 29.762 -0.184 0.000 1.510 1562 H HN 0.448 nan 8.280 nan 0.000 0.530 1563 L N 2.725 123.681 121.223 -0.446 0.000 2.409 1563 L HA 0.443 4.783 4.340 0.000 0.000 0.272 1563 L C -1.871 174.686 176.870 -0.522 0.000 0.980 1563 L CA -0.304 54.334 54.840 -0.336 0.000 0.826 1563 L CB 0.564 42.549 42.059 -0.124 0.000 1.268 1563 L HN 0.503 nan 8.230 nan 0.000 0.407 1564 F N 3.522 123.554 119.950 0.137 0.000 2.520 1564 F HA 0.629 5.156 4.527 0.000 0.000 0.322 1564 F C 0.635 176.473 175.800 0.064 0.000 1.103 1564 F CA -0.791 57.272 58.000 0.104 0.000 0.926 1564 F CB 1.608 40.666 39.000 0.097 0.000 1.154 1564 F HN 0.328 nan 8.300 nan 0.000 0.453 1565 R N 1.209 121.844 120.500 0.226 0.000 2.738 1565 R HA 0.104 4.444 4.340 0.000 0.000 0.275 1565 R C 1.146 177.516 176.300 0.116 0.000 1.121 1565 R CA -0.467 55.714 56.100 0.136 0.000 1.207 1565 R CB 0.477 30.840 30.300 0.104 0.000 1.141 1565 R HN 0.748 nan 8.270 nan 0.000 0.571 1566 E N 1.025 121.267 120.200 0.070 0.000 2.153 1566 E HA -0.186 4.164 4.350 0.000 0.000 0.194 1566 E C 1.051 177.667 176.600 0.025 0.000 0.988 1566 E CA 1.354 57.777 56.400 0.039 0.000 0.811 1566 E CB 0.025 29.741 29.700 0.027 0.000 0.746 1566 E HN 0.578 nan 8.360 nan 0.000 0.466 1567 D N -0.943 119.480 120.400 0.038 0.000 2.363 1567 D HA -0.055 4.585 4.640 0.000 0.000 0.226 1567 D C 1.332 177.650 176.300 0.030 0.000 1.020 1567 D CA 1.006 55.023 54.000 0.028 0.000 0.892 1567 D CB 0.332 41.153 40.800 0.035 0.000 0.900 1567 D HN 0.267 nan 8.370 nan 0.000 0.531 1568 G N 0.299 109.128 108.800 0.047 0.000 2.232 1568 G HA2 -0.270 3.690 3.960 0.000 0.000 0.226 1568 G HA3 -0.270 3.690 3.960 0.000 0.000 0.226 1568 G C 0.542 175.534 174.900 0.153 0.000 0.996 1568 G CA 0.338 45.457 45.100 0.031 0.000 0.626 1568 G HN 0.748 nan 8.290 nan 0.000 0.509 1569 T N -0.107 114.551 114.554 0.175 0.000 2.930 1569 T HA 0.656 5.006 4.350 0.000 0.000 0.306 1569 T C 0.514 175.406 174.700 0.321 0.000 1.045 1569 T CA 0.648 62.879 62.100 0.219 0.000 1.134 1569 T CB 1.921 70.874 68.868 0.141 0.000 0.961 1569 T HN 1.748 nan 8.240 nan 0.000 0.545 1570 A N 1.861 124.879 122.820 0.330 0.000 2.310 1570 A HA 0.546 4.867 4.320 0.000 0.000 0.299 1570 A C 0.477 178.110 177.584 0.083 0.000 1.147 1570 A CA -0.924 51.234 52.037 0.200 0.000 0.818 1570 A CB 0.240 19.387 19.000 0.245 0.000 1.096 1570 A HN 1.066 nan 8.150 nan 0.000 0.495 1571 C N 1.979 121.272 119.300 -0.011 0.000 2.499 1571 C HA 0.448 4.908 4.460 0.000 0.000 0.386 1571 C C 1.039 176.047 174.990 0.031 0.000 1.293 1571 C CA -0.364 58.663 59.018 0.013 0.000 1.884 1571 C CB -0.517 27.220 27.740 -0.004 0.000 2.509 1571 C HN 0.947 nan 8.230 nan 0.000 0.566 1572 R N 3.518 124.054 120.500 0.061 0.000 2.458 1572 R HA 0.070 4.411 4.340 0.000 0.000 0.303 1572 R C 0.305 176.664 176.300 0.098 0.000 1.013 1572 R CA 0.705 56.860 56.100 0.090 0.000 1.026 1572 R CB 0.123 30.454 30.300 0.051 0.000 0.948 1572 R HN 0.674 nan 8.270 nan 0.000 0.417 1573 R N 4.519 125.128 120.500 0.182 0.000 2.590 1573 R HA 0.049 4.390 4.340 0.000 0.000 0.274 1573 R C 0.389 176.800 176.300 0.184 0.000 1.061 1573 R CA -0.001 56.213 56.100 0.190 0.000 1.081 1573 R CB 0.465 30.917 30.300 0.253 0.000 0.984 1573 R HN 0.696 nan 8.270 nan 0.000 0.448 1574 L N 1.092 122.399 121.223 0.141 0.000 2.638 1574 L HA 0.128 4.469 4.340 0.000 0.000 0.232 1574 L C 0.721 177.660 176.870 0.114 0.000 1.099 1574 L CA -0.129 54.763 54.840 0.088 0.000 0.883 1574 L CB -0.084 42.004 42.059 0.050 0.000 1.136 1574 L HN 0.587 nan 8.230 nan 0.000 0.492 1575 H N 2.346 121.463 119.070 0.080 0.000 3.004 1575 H HA 0.066 4.622 4.556 0.000 0.000 0.316 1575 H C -0.013 175.381 175.328 0.109 0.000 1.014 1575 H CA 0.088 56.170 56.048 0.056 0.000 1.454 1575 H CB 0.571 30.337 29.762 0.007 0.000 1.472 1575 H HN -0.180 nan 8.280 nan 0.000 0.571 1576 K N 5.290 125.492 120.400 -0.329 0.000 2.310 1576 K HA 0.059 4.379 4.320 0.000 0.000 0.290 1576 K C -0.250 176.249 176.600 -0.168 0.000 1.077 1576 K CA -0.192 56.003 56.287 -0.153 0.000 0.922 1576 K CB 0.610 33.011 32.500 -0.165 0.000 1.057 1576 K HN 0.687 nan 8.250 nan 0.000 0.479 1577 E N 3.538 123.748 120.200 0.017 0.000 2.229 1577 E HA 0.187 4.538 4.350 0.000 0.000 0.283 1577 E C -2.173 174.370 176.600 -0.096 0.000 1.030 1577 E CA -2.024 54.296 56.400 -0.133 0.000 0.836 1577 E CB 0.749 30.061 29.700 -0.645 0.000 1.068 1577 E HN 0.213 nan 8.360 nan 0.000 0.401 1578 P HA 0.169 nan 4.420 nan 0.000 0.264 1578 P C 0.048 177.363 177.300 0.025 0.000 1.236 1578 P CA 0.458 63.553 63.100 -0.008 0.000 0.811 1578 P CB 0.291 31.994 31.700 0.006 0.000 0.840 1579 G N 0.000 108.830 108.800 0.050 0.000 5.446 1579 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 1579 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 1579 G CA 0.000 45.155 45.100 0.092 0.000 0.502 1579 G HN 0.000 nan 8.290 nan 0.000 0.925