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 1a5u_1_C DATA FIRST_RESID 1212 DATA SEQUENCE IQTQQLHAAM ADTFLEHMCR LDIDSAPITA RNTGIICTIG PASRSVETLK DATA SEQUENCE EMIKSGMNVA RMNFSHGTHE YHAETIKNVR TATESFASDP ILYRPVAVAL DATA SEQUENCE DTKGPEIRTG LIKGSGTAEV ELKKGATLKI TLDNAYMEKC DENILWLDYK DATA SEQUENCE NICKVVDVGS KVYVDDGLIS LQVKQKGPDF LVTEVENGGF LGSKKGVNLP DATA SEQUENCE GAAVDLPAVS EKDIQDLKFG VEQDVDMVFA SFIRKAADVH EVRKILGEKG DATA SEQUENCE KNIKIISKIE NHEGVRRFDE ILEASDGIMV ARGDLGIEIP AEKVFLAQKM DATA SEQUENCE IIGRCNRAGK PVICATQMLE SMIKKPRPTR AEGSDVANAV LDGADCIMLS DATA SEQUENCE GETAKGDYPL EAVRMQHLIA REAEAAMFHR KLFEELARSS SHSTDLMEAM DATA SEQUENCE AMGSVEASYK CLAAALIVLT ESGRSAHQVA RYRPRAPIIA VTRNHQTARQ DATA SEQUENCE AHLYRGIFPV VCKDPVQEAW AEDVDLRVNL AMNVGKARGF FKKGDVVIVL DATA SEQUENCE TGWRPGSGFT NTMRVVPVP 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 1212 I HA 0.000 nan 4.170 nan 0.000 0.288 1212 I C 0.000 176.105 176.117 -0.020 0.000 1.063 1212 I CA 0.000 61.289 61.300 -0.019 0.000 1.566 1212 I CB 0.000 37.994 38.000 -0.010 0.000 1.214 1213 Q N 3.709 123.496 119.800 -0.022 0.000 2.274 1213 Q HA 0.599 4.939 4.340 0.000 0.000 0.256 1213 Q C -0.360 175.637 176.000 -0.005 0.000 0.927 1213 Q CA 0.049 55.841 55.803 -0.018 0.000 0.939 1213 Q CB 2.391 31.112 28.738 -0.028 0.000 1.201 1213 Q HN 0.528 nan 8.270 nan 0.000 0.426 1214 T N 1.630 116.186 114.554 0.004 0.000 2.923 1214 T HA 0.158 4.508 4.350 0.000 0.000 0.311 1214 T C -0.556 174.153 174.700 0.015 0.000 1.183 1214 T CA -0.365 61.740 62.100 0.009 0.000 1.020 1214 T CB 0.818 69.692 68.868 0.010 0.000 1.165 1214 T HN 0.684 nan 8.240 nan 0.000 0.482 1215 Q N 2.440 122.249 119.800 0.015 0.000 2.437 1215 Q HA -0.228 4.112 4.340 0.000 0.000 0.274 1215 Q C -0.129 175.891 176.000 0.032 0.000 1.165 1215 Q CA 0.682 56.499 55.803 0.023 0.000 0.925 1215 Q CB -0.629 28.120 28.738 0.018 0.000 1.327 1215 Q HN 0.708 nan 8.270 nan 0.000 0.505 1216 Q N -2.877 116.936 119.800 0.021 0.000 2.461 1216 Q HA -0.261 4.079 4.340 0.000 0.000 0.264 1216 Q C 0.735 176.758 176.000 0.039 0.000 1.085 1216 Q CA 1.559 57.369 55.803 0.012 0.000 1.006 1216 Q CB -2.089 26.639 28.738 -0.016 0.000 1.437 1216 Q HN 0.676 nan 8.270 nan 0.000 0.514 1217 L N -0.933 120.320 121.223 0.051 0.000 2.187 1217 L HA -0.224 4.116 4.340 0.000 0.000 0.213 1217 L C 2.314 179.239 176.870 0.091 0.000 1.100 1217 L CA 1.839 56.714 54.840 0.059 0.000 0.765 1217 L CB -0.485 41.600 42.059 0.043 0.000 0.904 1217 L HN 0.314 nan 8.230 nan 0.000 0.437 1218 H N 0.193 119.250 119.070 -0.022 0.000 2.389 1218 H HA -0.060 4.496 4.556 0.000 0.000 0.299 1218 H C 2.099 177.400 175.328 -0.045 0.000 1.081 1218 H CA 1.289 57.318 56.048 -0.032 0.000 1.345 1218 H CB 0.152 29.886 29.762 -0.048 0.000 1.393 1218 H HN 0.257 nan 8.280 nan 0.000 0.520 1219 A N 0.292 123.030 122.820 -0.137 0.000 2.067 1219 A HA 0.160 4.481 4.320 0.000 0.000 0.217 1219 A C 2.446 180.002 177.584 -0.047 0.000 1.156 1219 A CA 0.986 52.865 52.037 -0.262 0.000 0.683 1219 A CB -0.855 17.885 19.000 -0.434 0.000 0.808 1219 A HN 0.522 nan 8.150 nan 0.000 0.455 1220 A N -1.102 121.746 122.820 0.048 0.000 2.172 1220 A HA 0.034 4.354 4.320 0.000 0.000 0.216 1220 A C 1.718 179.380 177.584 0.131 0.000 1.154 1220 A CA 1.285 53.413 52.037 0.151 0.000 0.701 1220 A CB -0.328 18.739 19.000 0.112 0.000 0.789 1220 A HN 0.400 nan 8.150 nan 0.000 0.465 1221 M N -0.513 119.101 119.600 0.024 0.000 2.383 1221 M HA 0.296 4.776 4.480 0.000 0.000 0.247 1221 M C 0.829 177.124 176.300 -0.009 0.000 1.117 1221 M CA -0.199 55.111 55.300 0.016 0.000 0.995 1221 M CB -0.988 31.601 32.600 -0.018 0.000 1.480 1221 M HN 0.353 nan 8.290 nan 0.000 0.485 1222 A N 0.982 123.771 122.820 -0.052 0.000 2.386 1222 A HA 0.183 4.503 4.320 0.000 0.000 0.248 1222 A C 0.794 178.464 177.584 0.142 0.000 1.082 1222 A CA -0.097 51.896 52.037 -0.073 0.000 0.789 1222 A CB 0.449 19.303 19.000 -0.243 0.000 1.025 1222 A HN 0.309 nan 8.150 nan 0.000 0.490 1223 D N -0.001 120.464 120.400 0.109 0.000 2.183 1223 D HA -0.001 4.639 4.640 0.000 0.000 0.205 1223 D C 1.108 177.560 176.300 0.253 0.000 0.962 1223 D CA 1.953 56.051 54.000 0.164 0.000 0.849 1223 D CB -0.219 40.633 40.800 0.086 0.000 0.978 1223 D HN 0.729 nan 8.370 nan 0.000 0.488 1224 T N -2.561 112.116 114.554 0.206 0.000 2.952 1224 T HA 0.274 4.624 4.350 0.000 0.000 0.286 1224 T C 0.786 175.671 174.700 0.308 0.000 1.024 1224 T CA -0.869 61.379 62.100 0.248 0.000 1.029 1224 T CB 1.441 70.393 68.868 0.139 0.000 1.094 1224 T HN -0.137 nan 8.240 nan 0.000 0.515 1225 F N 0.496 120.597 119.950 0.252 0.000 2.293 1225 F HA 0.075 4.602 4.527 0.000 0.000 0.300 1225 F C 1.805 177.645 175.800 0.066 0.000 1.086 1225 F CA 0.730 58.854 58.000 0.207 0.000 1.375 1225 F CB -0.319 38.805 39.000 0.207 0.000 1.045 1225 F HN 0.521 nan 8.300 nan 0.000 0.516 1226 L N 0.482 121.763 121.223 0.097 0.000 1.988 1226 L HA -0.163 4.177 4.340 0.000 0.000 0.207 1226 L C 2.354 179.152 176.870 -0.119 0.000 1.071 1226 L CA 1.955 56.794 54.840 -0.001 0.000 0.744 1226 L CB -1.122 40.971 42.059 0.056 0.000 0.893 1226 L HN 0.035 nan 8.230 nan 0.000 0.433 1227 E N -0.974 119.168 120.200 -0.096 0.000 2.160 1227 E HA -0.311 4.039 4.350 0.000 0.000 0.195 1227 E C 2.139 178.586 176.600 -0.255 0.000 0.991 1227 E CA 1.449 57.766 56.400 -0.139 0.000 0.810 1227 E CB -0.236 29.410 29.700 -0.090 0.000 0.742 1227 E HN 0.715 nan 8.360 nan 0.000 0.466 1228 H N 0.172 118.934 119.070 -0.514 0.000 2.321 1228 H HA -0.035 4.521 4.556 0.000 0.000 0.300 1228 H C 2.188 177.173 175.328 -0.571 0.000 1.087 1228 H CA 1.963 57.562 56.048 -0.747 0.000 1.319 1228 H CB -0.103 28.836 29.762 -1.372 0.000 1.379 1228 H HN 0.037 nan 8.280 nan 0.000 0.501 1229 M N -0.813 118.446 119.600 -0.569 0.000 2.067 1229 M HA -0.209 4.271 4.480 0.000 0.000 0.260 1229 M C 2.353 178.464 176.300 -0.316 0.000 1.069 1229 M CA 1.621 56.647 55.300 -0.457 0.000 1.117 1229 M CB -0.379 32.034 32.600 -0.312 0.000 1.334 1229 M HN 0.432 nan 8.290 nan 0.000 0.407 1230 C N 0.009 119.168 119.300 -0.235 0.000 2.400 1230 C HA -0.134 4.326 4.460 0.000 0.000 0.291 1230 C C 2.306 177.202 174.990 -0.155 0.000 1.372 1230 C CA 0.933 59.857 59.018 -0.157 0.000 1.800 1230 C CB -1.423 26.246 27.740 -0.118 0.000 1.869 1230 C HN 0.426 nan 8.230 nan 0.000 0.533 1231 R N -0.515 119.846 120.500 -0.232 0.000 2.397 1231 R HA 0.247 4.587 4.340 0.000 0.000 0.241 1231 R C -0.167 176.022 176.300 -0.185 0.000 0.914 1231 R CA -0.166 55.824 56.100 -0.183 0.000 1.071 1231 R CB 0.087 30.224 30.300 -0.273 0.000 1.116 1231 R HN 0.449 nan 8.270 nan 0.000 0.524 1232 L N 2.059 123.134 121.223 -0.246 0.000 2.418 1232 L HA 0.097 4.437 4.340 0.000 0.000 0.274 1232 L C -0.075 176.727 176.870 -0.115 0.000 1.135 1232 L CA -0.063 54.651 54.840 -0.210 0.000 0.870 1232 L CB 0.181 42.097 42.059 -0.238 0.000 1.154 1232 L HN -0.092 nan 8.230 nan 0.000 0.462 1233 D N 2.985 123.338 120.400 -0.079 0.000 2.308 1233 D HA 0.274 4.914 4.640 0.000 0.000 0.242 1233 D C 0.958 177.233 176.300 -0.041 0.000 1.059 1233 D CA -0.634 53.336 54.000 -0.049 0.000 0.830 1233 D CB 1.316 42.099 40.800 -0.029 0.000 1.161 1233 D HN 0.462 nan 8.370 nan 0.000 0.494 1234 I N 0.285 120.833 120.570 -0.037 0.000 2.394 1234 I HA -0.038 4.132 4.170 0.000 0.000 0.251 1234 I C 0.534 176.638 176.117 -0.022 0.000 1.136 1234 I CA 0.859 62.141 61.300 -0.029 0.000 1.425 1234 I CB -0.028 37.956 38.000 -0.027 0.000 1.079 1234 I HN 0.149 nan 8.210 nan 0.000 0.425 1235 D N 1.207 121.594 120.400 -0.022 0.000 2.349 1235 D HA 0.017 4.657 4.640 0.000 0.000 0.224 1235 D C 0.841 177.132 176.300 -0.016 0.000 1.029 1235 D CA 0.537 54.526 54.000 -0.018 0.000 0.879 1235 D CB 0.166 40.953 40.800 -0.020 0.000 0.906 1235 D HN 0.247 nan 8.370 nan 0.000 0.528 1236 S N 0.590 116.280 115.700 -0.016 0.000 2.473 1236 S HA 0.506 4.976 4.470 0.000 0.000 0.312 1236 S C 0.010 174.607 174.600 -0.005 0.000 1.087 1236 S CA -0.773 57.421 58.200 -0.010 0.000 1.077 1236 S CB -0.007 63.188 63.200 -0.009 0.000 1.065 1236 S HN 0.171 nan 8.310 nan 0.000 0.510 1237 A N 7.263 130.082 122.820 -0.001 0.000 2.477 1237 A HA 0.518 4.838 4.320 0.000 0.000 0.246 1237 A C -2.170 175.419 177.584 0.009 0.000 1.078 1237 A CA -1.051 50.989 52.037 0.004 0.000 0.770 1237 A CB -0.095 18.910 19.000 0.007 0.000 1.011 1237 A HN 0.661 nan 8.150 nan 0.000 0.494 1238 P HA 0.403 nan 4.420 nan 0.000 0.278 1238 P C 0.002 177.311 177.300 0.016 0.000 1.258 1238 P CA -0.440 62.667 63.100 0.011 0.000 0.811 1238 P CB 0.577 32.279 31.700 0.004 0.000 1.063 1239 I N -1.536 119.041 120.570 0.012 0.000 3.269 1239 I HA 0.167 4.337 4.170 0.000 0.000 0.287 1239 I C 1.824 177.962 176.117 0.034 0.000 1.152 1239 I CA -0.166 61.142 61.300 0.013 0.000 1.263 1239 I CB -0.470 37.517 38.000 -0.021 0.000 1.439 1239 I HN 0.400 nan 8.210 nan 0.000 0.637 1240 T N 0.419 115.016 114.554 0.073 0.000 2.904 1240 T HA 0.136 4.486 4.350 0.000 0.000 0.267 1240 T C 0.981 175.814 174.700 0.222 0.000 1.059 1240 T CA 0.358 62.556 62.100 0.163 0.000 1.137 1240 T CB -0.431 68.566 68.868 0.215 0.000 0.879 1240 T HN 0.826 nan 8.240 nan 0.000 0.467 1241 A N 2.485 125.320 122.820 0.025 0.000 2.444 1241 A HA 0.453 4.773 4.320 0.000 0.000 0.273 1241 A C 0.542 178.220 177.584 0.156 0.000 1.136 1241 A CA -0.578 51.387 52.037 -0.120 0.000 0.799 1241 A CB -0.069 18.323 19.000 -1.013 0.000 1.081 1241 A HN 0.464 nan 8.150 nan 0.000 0.509 1242 R N 3.368 124.111 120.500 0.405 0.000 2.207 1242 R HA 0.154 4.494 4.340 0.000 0.000 0.334 1242 R C 0.025 176.491 176.300 0.277 0.000 1.013 1242 R CA -0.115 56.120 56.100 0.225 0.000 0.858 1242 R CB 0.172 30.521 30.300 0.081 0.000 1.094 1242 R HN 0.952 nan 8.270 nan 0.000 0.457 1243 N N 0.934 119.750 118.700 0.193 0.000 2.135 1243 N HA -0.067 4.673 4.740 0.000 0.000 0.186 1243 N C -0.190 175.352 175.510 0.053 0.000 1.027 1243 N CA 0.958 54.111 53.050 0.171 0.000 0.849 1243 N CB 0.134 38.735 38.487 0.191 0.000 1.002 1243 N HN 0.460 nan 8.380 nan 0.000 0.425 1244 T N 1.037 115.620 114.554 0.049 0.000 2.769 1244 T HA 0.191 4.542 4.350 0.000 0.000 0.293 1244 T C 0.604 175.309 174.700 0.009 0.000 0.931 1244 T CA -0.413 61.701 62.100 0.024 0.000 1.139 1244 T CB 0.809 69.690 68.868 0.023 0.000 0.881 1244 T HN 0.180 nan 8.240 nan 0.000 0.532 1245 G N 3.000 111.801 108.800 0.001 0.000 2.491 1245 G HA2 0.398 4.359 3.960 0.000 0.000 0.238 1245 G HA3 0.398 4.359 3.960 0.000 0.000 0.238 1245 G C -0.264 174.632 174.900 -0.007 0.000 1.277 1245 G CA -0.523 44.576 45.100 -0.000 0.000 0.851 1245 G HN 0.781 nan 8.290 nan 0.000 0.573 1246 I N 2.281 122.839 120.570 -0.021 0.000 2.354 1246 I HA 0.263 4.433 4.170 0.000 0.000 0.286 1246 I C -0.071 176.039 176.117 -0.011 0.000 1.007 1246 I CA -0.387 60.908 61.300 -0.008 0.000 1.167 1246 I CB 1.342 39.348 38.000 0.009 0.000 1.320 1246 I HN 0.217 nan 8.210 nan 0.000 0.458 1247 I N 5.665 126.243 120.570 0.013 0.000 2.336 1247 I HA 0.357 4.527 4.170 0.000 0.000 0.292 1247 I C -0.494 175.658 176.117 0.058 0.000 0.991 1247 I CA -0.456 60.873 61.300 0.049 0.000 1.227 1247 I CB 1.373 39.428 38.000 0.091 0.000 1.366 1247 I HN 0.491 nan 8.210 nan 0.000 0.466 1248 C N 3.799 123.137 119.300 0.062 0.000 2.379 1248 C HA 0.398 4.859 4.460 0.000 0.000 0.323 1248 C C 0.651 175.694 174.990 0.089 0.000 1.262 1248 C CA -0.536 58.520 59.018 0.064 0.000 1.581 1248 C CB 1.252 29.015 27.740 0.039 0.000 2.221 1248 C HN 0.688 nan 8.230 nan 0.000 0.497 1249 T N 4.914 119.526 114.554 0.097 0.000 2.723 1249 T HA 0.246 4.596 4.350 0.000 0.000 0.297 1249 T C 0.202 174.963 174.700 0.102 0.000 0.925 1249 T CA -0.145 62.025 62.100 0.117 0.000 1.030 1249 T CB -0.185 68.759 68.868 0.126 0.000 0.905 1249 T HN 0.339 nan 8.240 nan 0.000 0.502 1250 I N 4.299 124.935 120.570 0.110 0.000 2.379 1250 I HA 0.455 4.626 4.170 0.000 0.000 0.290 1250 I C 0.996 177.202 176.117 0.148 0.000 1.063 1250 I CA -0.239 61.124 61.300 0.105 0.000 1.351 1250 I CB 0.011 38.063 38.000 0.087 0.000 1.410 1250 I HN 0.753 nan 8.210 nan 0.000 0.505 1251 G N 7.407 116.280 108.800 0.122 0.000 3.243 1251 G HA2 0.555 4.515 3.960 0.000 0.000 0.248 1251 G HA3 0.555 4.515 3.960 0.000 0.000 0.248 1251 G C -2.266 172.723 174.900 0.149 0.000 1.267 1251 G CA -0.546 44.652 45.100 0.164 0.000 0.906 1251 G HN 0.284 nan 8.290 nan 0.000 0.592 1252 P HA -0.113 nan 4.420 nan 0.000 0.215 1252 P C 1.936 179.275 177.300 0.065 0.000 1.157 1252 P CA 2.513 65.708 63.100 0.158 0.000 0.874 1252 P CB -0.037 31.720 31.700 0.095 0.000 0.790 1253 A N -0.716 122.126 122.820 0.037 0.000 2.216 1253 A HA -0.031 4.289 4.320 0.000 0.000 0.214 1253 A C 1.516 179.108 177.584 0.013 0.000 1.160 1253 A CA 1.647 53.690 52.037 0.011 0.000 0.725 1253 A CB -0.911 18.085 19.000 -0.006 0.000 0.784 1253 A HN 0.358 nan 8.150 nan 0.000 0.472 1254 S N -2.344 113.372 115.700 0.026 0.000 3.082 1254 S HA 0.269 4.739 4.470 0.000 0.000 0.253 1254 S C 0.993 175.601 174.600 0.013 0.000 0.961 1254 S CA -0.445 57.768 58.200 0.022 0.000 1.129 1254 S CB -0.037 63.182 63.200 0.031 0.000 1.083 1254 S HN 0.505 nan 8.310 nan 0.000 0.605 1255 R N 2.628 123.125 120.500 -0.005 0.000 2.075 1255 R HA 0.012 4.352 4.340 0.000 0.000 0.232 1255 R C 0.988 177.266 176.300 -0.037 0.000 1.126 1255 R CA 1.193 57.265 56.100 -0.046 0.000 0.963 1255 R CB -0.419 29.809 30.300 -0.120 0.000 0.858 1255 R HN 0.614 nan 8.270 nan 0.000 0.435 1256 S N 0.583 116.268 115.700 -0.025 0.000 2.593 1256 S HA -0.063 4.407 4.470 0.000 0.000 0.300 1256 S C 1.453 176.050 174.600 -0.005 0.000 1.267 1256 S CA -0.435 57.754 58.200 -0.017 0.000 1.065 1256 S CB 1.154 64.347 63.200 -0.012 0.000 0.807 1256 S HN -0.019 nan 8.310 nan 0.000 0.499 1257 V N 3.039 122.949 119.914 -0.007 0.000 2.255 1257 V HA -0.195 3.926 4.120 0.000 0.000 0.247 1257 V C 2.783 178.883 176.094 0.010 0.000 1.051 1257 V CA 2.452 64.754 62.300 0.003 0.000 1.018 1257 V CB -0.997 30.824 31.823 -0.004 0.000 0.641 1257 V HN 1.103 nan 8.190 nan 0.000 0.445 1258 E N -0.857 119.343 120.200 0.000 0.000 2.209 1258 E HA -0.230 4.121 4.350 0.000 0.000 0.196 1258 E C 2.015 178.626 176.600 0.018 0.000 0.993 1258 E CA 1.755 58.157 56.400 0.004 0.000 0.819 1258 E CB -0.010 29.688 29.700 -0.003 0.000 0.745 1258 E HN 0.647 nan 8.360 nan 0.000 0.477 1259 T N 0.562 115.126 114.554 0.017 0.000 3.009 1259 T HA 0.038 4.388 4.350 0.000 0.000 0.258 1259 T C 1.818 176.540 174.700 0.035 0.000 1.063 1259 T CA 0.239 62.352 62.100 0.022 0.000 1.139 1259 T CB 0.030 68.906 68.868 0.013 0.000 0.890 1259 T HN 0.114 nan 8.240 nan 0.000 0.471 1260 L N 0.759 122.005 121.223 0.038 0.000 2.017 1260 L HA -0.115 4.225 4.340 0.000 0.000 0.208 1260 L C 2.622 179.548 176.870 0.094 0.000 1.073 1260 L CA 1.470 56.342 54.840 0.054 0.000 0.745 1260 L CB -0.435 41.654 42.059 0.050 0.000 0.894 1260 L HN 0.159 nan 8.230 nan 0.000 0.432 1261 K N -0.321 120.150 120.400 0.119 0.000 2.059 1261 K HA -0.216 4.104 4.320 0.000 0.000 0.212 1261 K C 2.079 178.803 176.600 0.206 0.000 1.050 1261 K CA 1.591 58.008 56.287 0.217 0.000 0.927 1261 K CB -0.069 32.494 32.500 0.105 0.000 0.714 1261 K HN 0.259 nan 8.250 nan 0.000 0.447 1262 E N 0.043 120.309 120.200 0.110 0.000 2.216 1262 E HA -0.089 4.262 4.350 0.000 0.000 0.192 1262 E C 1.949 178.572 176.600 0.039 0.000 0.988 1262 E CA 0.910 57.356 56.400 0.077 0.000 0.834 1262 E CB 0.026 29.758 29.700 0.053 0.000 0.772 1262 E HN 0.438 nan 8.360 nan 0.000 0.479 1263 M N 0.078 119.698 119.600 0.033 0.000 2.156 1263 M HA -0.031 4.449 4.480 0.000 0.000 0.264 1263 M C 2.412 178.691 176.300 -0.035 0.000 1.067 1263 M CA 1.097 56.399 55.300 0.004 0.000 1.131 1263 M CB -0.289 32.318 32.600 0.012 0.000 1.368 1263 M HN 0.024 nan 8.290 nan 0.000 0.416 1264 I N 0.411 120.959 120.570 -0.037 0.000 2.163 1264 I HA -0.308 3.863 4.170 0.000 0.000 0.243 1264 I C 2.524 178.533 176.117 -0.180 0.000 1.085 1264 I CA 1.414 62.639 61.300 -0.124 0.000 1.347 1264 I CB -0.572 37.343 38.000 -0.142 0.000 1.044 1264 I HN 0.325 nan 8.210 nan 0.000 0.408 1265 K N 0.414 120.740 120.400 -0.123 0.000 2.152 1265 K HA -0.144 4.176 4.320 0.000 0.000 0.206 1265 K C 2.197 178.728 176.600 -0.115 0.000 1.048 1265 K CA 1.433 57.653 56.287 -0.112 0.000 0.933 1265 K CB -0.112 32.400 32.500 0.019 0.000 0.721 1265 K HN 0.212 nan 8.250 nan 0.000 0.447 1266 S N -1.074 114.573 115.700 -0.088 0.000 2.489 1266 S HA 0.002 4.472 4.470 0.000 0.000 0.228 1266 S C 1.177 175.684 174.600 -0.155 0.000 0.995 1266 S CA 0.978 59.121 58.200 -0.096 0.000 0.934 1266 S CB 0.499 63.677 63.200 -0.037 0.000 0.771 1266 S HN 0.628 nan 8.310 nan 0.000 0.522 1267 G N 0.737 109.443 108.800 -0.157 0.000 2.227 1267 G HA2 -0.167 3.793 3.960 0.000 0.000 0.168 1267 G HA3 -0.167 3.793 3.960 0.000 0.000 0.168 1267 G C 0.065 174.907 174.900 -0.097 0.000 1.006 1267 G CA -0.215 44.799 45.100 -0.144 0.000 0.684 1267 G HN 0.390 nan 8.290 nan 0.000 0.489 1268 M N 1.314 120.853 119.600 -0.102 0.000 2.217 1268 M HA 0.329 4.810 4.480 0.000 0.000 0.352 1268 M C 0.897 177.086 176.300 -0.186 0.000 1.376 1268 M CA 0.609 55.848 55.300 -0.102 0.000 1.107 1268 M CB 0.089 32.651 32.600 -0.062 0.000 1.723 1268 M HN 0.233 nan 8.290 nan 0.000 0.461 1269 N N 2.747 121.306 118.700 -0.234 0.000 2.407 1269 N HA 0.174 4.915 4.740 0.000 0.000 0.182 1269 N C -0.949 174.335 175.510 -0.377 0.000 1.079 1269 N CA -0.100 52.654 53.050 -0.493 0.000 0.882 1269 N CB 0.928 39.037 38.487 -0.630 0.000 1.106 1269 N HN 0.408 nan 8.380 nan 0.000 0.461 1270 V N 0.346 120.170 119.914 -0.150 0.000 2.888 1270 V HA 0.727 4.847 4.120 0.000 0.000 0.309 1270 V C -1.186 174.913 176.094 0.010 0.000 1.114 1270 V CA -1.260 61.018 62.300 -0.037 0.000 0.940 1270 V CB 1.847 33.703 31.823 0.056 0.000 1.021 1270 V HN 0.051 nan 8.190 nan 0.000 0.426 1271 A N 3.666 126.495 122.820 0.016 0.000 2.318 1271 A HA 0.850 5.171 4.320 0.000 0.000 0.324 1271 A C -0.319 177.279 177.584 0.025 0.000 1.170 1271 A CA -0.665 51.391 52.037 0.032 0.000 0.810 1271 A CB 1.008 20.021 19.000 0.023 0.000 1.198 1271 A HN 0.863 nan 8.150 nan 0.000 0.484 1272 R N 2.636 123.177 120.500 0.069 0.000 2.393 1272 R HA 0.623 4.964 4.340 0.000 0.000 0.310 1272 R C -1.476 174.860 176.300 0.059 0.000 0.968 1272 R CA -0.586 55.540 56.100 0.042 0.000 0.867 1272 R CB 0.787 31.225 30.300 0.230 0.000 1.124 1272 R HN 0.615 nan 8.270 nan 0.000 0.450 1273 M N 3.843 123.449 119.600 0.009 0.000 2.036 1273 M HA 0.239 4.719 4.480 0.000 0.000 0.337 1273 M C -0.538 175.776 176.300 0.023 0.000 1.012 1273 M CA -0.590 54.710 55.300 0.000 0.000 0.962 1273 M CB 1.188 33.808 32.600 0.033 0.000 1.423 1273 M HN 0.390 nan 8.290 nan 0.000 0.405 1274 N N 2.004 120.753 118.700 0.081 0.000 2.405 1274 N HA 0.097 4.837 4.740 0.000 0.000 0.260 1274 N C 0.079 175.724 175.510 0.225 0.000 1.152 1274 N CA 0.217 53.408 53.050 0.235 0.000 0.948 1274 N CB 0.262 38.955 38.487 0.343 0.000 1.111 1274 N HN 0.439 nan 8.380 nan 0.000 0.485 1275 F N 1.102 121.070 119.950 0.030 0.000 2.502 1275 F HA -0.009 4.518 4.527 0.000 0.000 0.298 1275 F C 2.273 178.182 175.800 0.182 0.000 1.111 1275 F CA 0.423 58.522 58.000 0.166 0.000 1.445 1275 F CB -0.169 38.906 39.000 0.125 0.000 1.081 1275 F HN 0.456 nan 8.300 nan 0.000 0.558 1276 S N -1.716 114.099 115.700 0.193 0.000 2.474 1276 S HA -0.080 4.390 4.470 0.000 0.000 0.235 1276 S C 0.461 174.929 174.600 -0.220 0.000 0.997 1276 S CA 0.664 58.842 58.200 -0.036 0.000 0.949 1276 S CB -0.462 62.656 63.200 -0.137 0.000 0.766 1276 S HN 0.306 nan 8.310 nan 0.000 0.517 1277 H N -0.544 118.618 119.070 0.153 0.000 2.731 1277 H HA 0.532 5.088 4.556 0.000 0.000 0.368 1277 H C 0.806 176.099 175.328 -0.057 0.000 1.168 1277 H CA -0.056 56.021 56.048 0.048 0.000 1.181 1277 H CB 1.129 30.914 29.762 0.038 0.000 1.743 1277 H HN 0.303 nan 8.280 nan 0.000 0.547 1278 G N 0.765 109.484 108.800 -0.134 0.000 2.752 1278 G HA2 -0.212 3.748 3.960 0.000 0.000 0.234 1278 G HA3 -0.212 3.748 3.960 0.000 0.000 0.234 1278 G C 0.005 174.726 174.900 -0.298 0.000 1.367 1278 G CA -0.009 44.832 45.100 -0.432 0.000 0.879 1278 G HN 0.932 nan 8.290 nan 0.000 0.563 1279 T N -3.936 110.428 114.554 -0.317 0.000 2.932 1279 T HA 0.646 4.997 4.350 0.000 0.000 0.289 1279 T C 1.234 175.864 174.700 -0.116 0.000 1.039 1279 T CA 0.499 62.499 62.100 -0.167 0.000 1.024 1279 T CB 1.648 70.445 68.868 -0.118 0.000 1.090 1279 T HN 0.720 nan 8.240 nan 0.000 0.496 1280 H N 0.182 119.102 119.070 -0.250 0.000 2.357 1280 H HA -0.149 4.408 4.556 0.000 0.000 0.296 1280 H C 2.167 177.419 175.328 -0.128 0.000 1.108 1280 H CA 1.964 57.757 56.048 -0.424 0.000 1.273 1280 H CB 0.340 29.640 29.762 -0.771 0.000 1.367 1280 H HN 0.872 nan 8.280 nan 0.000 0.498 1281 E N 0.718 120.956 120.200 0.064 0.000 2.072 1281 E HA -0.223 4.127 4.350 0.000 0.000 0.191 1281 E C 2.019 178.681 176.600 0.105 0.000 0.985 1281 E CA 0.952 57.412 56.400 0.099 0.000 0.801 1281 E CB -0.386 29.357 29.700 0.071 0.000 0.750 1281 E HN 0.563 nan 8.360 nan 0.000 0.452 1282 Y N 1.437 121.674 120.300 -0.105 0.000 2.145 1282 Y HA -0.246 4.305 4.550 0.000 0.000 0.286 1282 Y C 2.359 178.201 175.900 -0.097 0.000 1.145 1282 Y CA 2.314 60.325 58.100 -0.148 0.000 1.148 1282 Y CB -0.256 38.041 38.460 -0.271 0.000 0.981 1282 Y HN 0.191 nan 8.280 nan 0.000 0.507 1283 H N -0.617 118.538 119.070 0.143 0.000 2.423 1283 H HA -0.031 4.525 4.556 0.000 0.000 0.297 1283 H C 2.329 177.768 175.328 0.186 0.000 1.075 1283 H CA 1.101 57.215 56.048 0.109 0.000 1.342 1283 H CB -0.731 29.022 29.762 -0.015 0.000 1.395 1283 H HN 0.516 nan 8.280 nan 0.000 0.530 1284 A N 0.944 123.987 122.820 0.372 0.000 1.930 1284 A HA -0.158 4.162 4.320 0.000 0.000 0.217 1284 A C 2.377 180.046 177.584 0.142 0.000 1.175 1284 A CA 1.451 53.678 52.037 0.317 0.000 0.627 1284 A CB -0.276 18.963 19.000 0.398 0.000 0.815 1284 A HN 0.424 nan 8.150 nan 0.000 0.443 1285 E N -0.650 119.591 120.200 0.068 0.000 2.047 1285 E HA -0.141 4.209 4.350 0.000 0.000 0.191 1285 E C 1.993 178.574 176.600 -0.031 0.000 0.987 1285 E CA 1.548 57.943 56.400 -0.008 0.000 0.799 1285 E CB -0.128 29.524 29.700 -0.079 0.000 0.752 1285 E HN 0.552 nan 8.360 nan 0.000 0.449 1286 T N 1.942 116.460 114.554 -0.060 0.000 2.665 1286 T HA -0.191 4.159 4.350 0.000 0.000 0.268 1286 T C 1.862 176.576 174.700 0.024 0.000 1.035 1286 T CA 1.362 63.438 62.100 -0.040 0.000 1.151 1286 T CB -0.156 68.711 68.868 -0.002 0.000 0.862 1286 T HN 0.124 nan 8.240 nan 0.000 0.438 1287 I N 1.505 122.113 120.570 0.064 0.000 2.069 1287 I HA -0.181 3.989 4.170 0.000 0.000 0.237 1287 I C 2.442 178.581 176.117 0.037 0.000 1.053 1287 I CA 1.420 62.752 61.300 0.054 0.000 1.311 1287 I CB -1.353 36.679 38.000 0.054 0.000 1.030 1287 I HN 0.260 nan 8.210 nan 0.000 0.398 1288 K N 0.911 121.331 120.400 0.034 0.000 2.030 1288 K HA -0.282 4.038 4.320 0.000 0.000 0.222 1288 K C 1.867 178.480 176.600 0.022 0.000 1.056 1288 K CA 2.354 58.657 56.287 0.027 0.000 0.957 1288 K CB -0.293 32.221 32.500 0.022 0.000 0.727 1288 K HN 0.344 nan 8.250 nan 0.000 0.452 1289 N N 0.497 119.203 118.700 0.009 0.000 2.094 1289 N HA -0.157 4.583 4.740 0.000 0.000 0.191 1289 N C 1.947 177.472 175.510 0.025 0.000 1.023 1289 N CA 1.303 54.357 53.050 0.006 0.000 0.857 1289 N CB -0.633 37.845 38.487 -0.015 0.000 1.013 1289 N HN 0.056 nan 8.380 nan 0.000 0.426 1290 V N 1.709 121.641 119.914 0.030 0.000 2.255 1290 V HA -0.241 3.880 4.120 0.000 0.000 0.247 1290 V C 2.251 178.383 176.094 0.063 0.000 1.051 1290 V CA 1.719 64.045 62.300 0.043 0.000 1.018 1290 V CB -0.438 31.408 31.823 0.038 0.000 0.641 1290 V HN 0.314 nan 8.190 nan 0.000 0.445 1291 R N -0.691 119.846 120.500 0.062 0.000 2.193 1291 R HA -0.106 4.234 4.340 0.000 0.000 0.229 1291 R C 2.339 178.694 176.300 0.092 0.000 1.110 1291 R CA 1.597 57.748 56.100 0.084 0.000 0.988 1291 R CB -0.574 29.768 30.300 0.070 0.000 0.871 1291 R HN 0.481 nan 8.270 nan 0.000 0.458 1292 T N 0.793 115.385 114.554 0.065 0.000 2.698 1292 T HA -0.054 4.296 4.350 0.000 0.000 0.260 1292 T C 1.939 176.676 174.700 0.061 0.000 1.044 1292 T CA 1.357 63.487 62.100 0.050 0.000 1.149 1292 T CB -0.203 68.680 68.868 0.024 0.000 0.864 1292 T HN 0.359 nan 8.240 nan 0.000 0.419 1293 A N 0.736 123.595 122.820 0.066 0.000 2.076 1293 A HA -0.120 4.200 4.320 0.000 0.000 0.220 1293 A C 2.393 180.100 177.584 0.204 0.000 1.160 1293 A CA 2.034 54.122 52.037 0.086 0.000 0.653 1293 A CB -1.022 18.036 19.000 0.096 0.000 0.801 1293 A HN 0.485 nan 8.150 nan 0.000 0.455 1294 T N 0.187 114.874 114.554 0.221 0.000 2.684 1294 T HA -0.071 4.279 4.350 0.000 0.000 0.253 1294 T C 1.634 176.611 174.700 0.462 0.000 1.057 1294 T CA 1.267 63.564 62.100 0.328 0.000 1.162 1294 T CB -0.261 68.739 68.868 0.221 0.000 0.868 1294 T HN 0.619 nan 8.240 nan 0.000 0.409 1295 E N 2.353 122.754 120.200 0.335 0.000 2.463 1295 E HA -0.079 4.271 4.350 0.000 0.000 0.201 1295 E C 2.205 178.905 176.600 0.165 0.000 1.045 1295 E CA 0.819 57.384 56.400 0.275 0.000 0.872 1295 E CB -0.677 29.103 29.700 0.133 0.000 0.797 1295 E HN 0.636 nan 8.360 nan 0.000 0.538 1296 S N 0.042 115.801 115.700 0.098 0.000 2.469 1296 S HA -0.093 4.377 4.470 0.000 0.000 0.238 1296 S C 1.423 175.906 174.600 -0.195 0.000 0.998 1296 S CA 0.465 58.597 58.200 -0.113 0.000 0.957 1296 S CB -0.420 62.620 63.200 -0.267 0.000 0.764 1296 S HN 0.164 nan 8.310 nan 0.000 0.514 1297 F N 1.151 121.186 119.950 0.142 0.000 2.695 1297 F HA 0.572 5.099 4.527 0.000 0.000 0.303 1297 F C 2.176 178.108 175.800 0.219 0.000 1.091 1297 F CA -0.283 57.819 58.000 0.170 0.000 1.300 1297 F CB -0.186 38.931 39.000 0.195 0.000 1.071 1297 F HN 0.261 nan 8.300 nan 0.000 0.578 1298 A N -0.047 122.929 122.820 0.261 0.000 2.172 1298 A HA -0.126 4.195 4.320 0.000 0.000 0.216 1298 A C 2.357 179.935 177.584 -0.009 0.000 1.154 1298 A CA 1.405 53.424 52.037 -0.031 0.000 0.701 1298 A CB -0.883 17.994 19.000 -0.205 0.000 0.789 1298 A HN 0.385 nan 8.150 nan 0.000 0.465 1299 S N 0.053 115.783 115.700 0.051 0.000 2.365 1299 S HA -0.226 4.244 4.470 0.000 0.000 0.225 1299 S C 0.735 175.359 174.600 0.040 0.000 1.039 1299 S CA 1.459 59.678 58.200 0.031 0.000 1.033 1299 S CB -0.426 62.790 63.200 0.027 0.000 0.887 1299 S HN 0.628 nan 8.310 nan 0.000 0.447 1300 D N 1.949 122.400 120.400 0.084 0.000 2.446 1300 D HA 0.436 5.076 4.640 0.000 0.000 0.251 1300 D C -2.320 174.046 176.300 0.110 0.000 1.137 1300 D CA -2.375 51.672 54.000 0.078 0.000 0.890 1300 D CB 1.702 42.548 40.800 0.076 0.000 1.071 1300 D HN 0.012 nan 8.370 nan 0.000 0.528 1301 P HA -0.065 nan 4.420 nan 0.000 0.236 1301 P C 0.928 178.293 177.300 0.108 0.000 1.172 1301 P CA 0.207 63.366 63.100 0.098 0.000 0.759 1301 P CB 0.177 31.896 31.700 0.031 0.000 0.843 1302 I N -1.011 119.604 120.570 0.076 0.000 2.480 1302 I HA -0.048 4.122 4.170 0.000 0.000 0.251 1302 I C 1.963 178.099 176.117 0.032 0.000 1.124 1302 I CA 1.096 62.420 61.300 0.041 0.000 1.444 1302 I CB -0.888 37.120 38.000 0.014 0.000 1.098 1302 I HN -0.096 nan 8.210 nan 0.000 0.428 1303 L N -1.232 120.028 121.223 0.061 0.000 2.769 1303 L HA 0.138 4.478 4.340 0.000 0.000 0.240 1303 L C -0.034 176.873 176.870 0.061 0.000 1.163 1303 L CA -0.302 54.558 54.840 0.034 0.000 0.962 1303 L CB -0.426 41.663 42.059 0.049 0.000 1.258 1303 L HN 0.066 nan 8.230 nan 0.000 0.513 1304 Y N 3.068 123.372 120.300 0.008 0.000 2.359 1304 Y HA 0.356 4.906 4.550 0.000 0.000 0.334 1304 Y C 0.177 176.059 175.900 -0.030 0.000 1.058 1304 Y CA -0.787 57.325 58.100 0.021 0.000 1.244 1304 Y CB 0.436 38.930 38.460 0.057 0.000 1.187 1304 Y HN 0.067 nan 8.280 nan 0.000 0.510 1305 R N 7.450 127.507 120.500 -0.737 0.000 2.439 1305 R HA 0.395 4.736 4.340 0.000 0.000 0.310 1305 R C -2.904 172.922 176.300 -0.789 0.000 0.955 1305 R CA -2.042 53.697 56.100 -0.602 0.000 0.853 1305 R CB 1.233 31.303 30.300 -0.384 0.000 1.171 1305 R HN 0.501 nan 8.270 nan 0.000 0.449 1306 P HA 0.132 nan 4.420 nan 0.000 0.271 1306 P C -0.578 176.649 177.300 -0.121 0.000 1.233 1306 P CA -0.385 62.565 63.100 -0.249 0.000 0.789 1306 P CB 0.691 32.414 31.700 0.039 0.000 0.951 1307 V N 0.288 120.170 119.914 -0.054 0.000 2.668 1307 V HA 0.573 4.693 4.120 0.000 0.000 0.304 1307 V C 0.034 176.136 176.094 0.013 0.000 1.071 1307 V CA -1.024 61.219 62.300 -0.095 0.000 0.894 1307 V CB 1.600 33.366 31.823 -0.095 0.000 1.008 1307 V HN 0.712 nan 8.190 nan 0.000 0.425 1308 A N 3.803 126.638 122.820 0.025 0.000 2.322 1308 A HA 0.769 5.090 4.320 0.000 0.000 0.269 1308 A C -0.338 177.258 177.584 0.019 0.000 1.094 1308 A CA -0.367 51.713 52.037 0.071 0.000 0.807 1308 A CB 0.936 20.010 19.000 0.124 0.000 1.047 1308 A HN 0.878 nan 8.150 nan 0.000 0.487 1309 V N 1.587 121.503 119.914 0.003 0.000 2.326 1309 V HA 0.562 4.682 4.120 0.000 0.000 0.281 1309 V C 0.381 176.406 176.094 -0.116 0.000 1.015 1309 V CA -0.149 62.128 62.300 -0.039 0.000 0.823 1309 V CB 0.728 32.533 31.823 -0.029 0.000 1.009 1309 V HN 1.100 nan 8.190 nan 0.000 0.436 1310 A N 5.340 128.038 122.820 -0.202 0.000 2.288 1310 A HA 0.805 5.125 4.320 0.000 0.000 0.320 1310 A C -0.723 176.536 177.584 -0.541 0.000 1.217 1310 A CA -0.522 51.213 52.037 -0.503 0.000 0.840 1310 A CB 1.034 19.485 19.000 -0.914 0.000 1.179 1310 A HN 0.901 nan 8.150 nan 0.000 0.504 1311 L N 2.882 123.779 121.223 -0.544 0.000 2.261 1311 L HA 0.347 4.687 4.340 0.000 0.000 0.289 1311 L C -0.680 175.932 176.870 -0.431 0.000 1.059 1311 L CA -0.361 54.212 54.840 -0.445 0.000 0.816 1311 L CB 0.593 42.370 42.059 -0.469 0.000 1.191 1311 L HN 0.672 nan 8.230 nan 0.000 0.431 1312 D N 3.646 123.915 120.400 -0.220 0.000 2.280 1312 D HA 0.172 4.812 4.640 0.000 0.000 0.236 1312 D C -0.287 176.065 176.300 0.086 0.000 1.082 1312 D CA -0.145 53.863 54.000 0.014 0.000 0.834 1312 D CB 1.597 42.517 40.800 0.201 0.000 1.100 1312 D HN 0.434 nan 8.370 nan 0.000 0.486 1313 T N 2.783 117.382 114.554 0.074 0.000 2.828 1313 T HA 0.115 4.465 4.350 0.000 0.000 0.290 1313 T C 1.538 176.345 174.700 0.178 0.000 1.019 1313 T CA -0.183 61.971 62.100 0.089 0.000 1.031 1313 T CB 1.102 70.011 68.868 0.068 0.000 1.001 1313 T HN 0.321 nan 8.240 nan 0.000 0.531 1314 K N 1.053 121.563 120.400 0.183 0.000 1.992 1314 K HA 0.346 4.666 4.320 0.000 0.000 0.210 1314 K C 1.242 177.949 176.600 0.180 0.000 1.036 1314 K CA 0.699 57.093 56.287 0.179 0.000 0.946 1314 K CB -0.514 32.082 32.500 0.161 0.000 0.742 1314 K HN 0.900 nan 8.250 nan 0.000 0.442 1315 G N 0.456 109.341 108.800 0.142 0.000 2.587 1315 G HA2 -0.151 3.809 3.960 0.000 0.000 0.212 1315 G HA3 -0.151 3.809 3.960 0.000 0.000 0.212 1315 G C -2.768 172.155 174.900 0.038 0.000 1.327 1315 G CA -0.723 44.459 45.100 0.136 0.000 0.898 1315 G HN 0.075 nan 8.290 nan 0.000 0.551 1316 P HA 0.297 nan 4.420 nan 0.000 0.231 1316 P C -0.317 176.739 177.300 -0.406 0.000 1.811 1316 P CA 0.479 63.492 63.100 -0.144 0.000 1.051 1316 P CB -0.055 31.584 31.700 -0.102 0.000 1.951 1317 E N 1.414 121.431 120.200 -0.304 0.000 2.336 1317 E HA 0.536 4.886 4.350 0.000 0.000 0.267 1317 E C -1.219 175.257 176.600 -0.207 0.000 0.906 1317 E CA -1.150 55.020 56.400 -0.384 0.000 0.781 1317 E CB 1.553 31.106 29.700 -0.246 0.000 1.261 1317 E HN -0.009 nan 8.360 nan 0.000 0.436 1318 I N 1.844 122.286 120.570 -0.213 0.000 2.321 1318 I HA 0.389 4.559 4.170 0.000 0.000 0.291 1318 I C 0.030 176.131 176.117 -0.027 0.000 0.998 1318 I CA -0.564 60.661 61.300 -0.125 0.000 1.227 1318 I CB 1.078 38.963 38.000 -0.192 0.000 1.368 1318 I HN 0.341 nan 8.210 nan 0.000 0.466 1319 R N 4.011 124.535 120.500 0.041 0.000 2.532 1319 R HA 0.364 4.705 4.340 0.000 0.000 0.297 1319 R C -0.100 176.317 176.300 0.195 0.000 0.984 1319 R CA -0.585 55.573 56.100 0.097 0.000 0.884 1319 R CB 2.377 32.728 30.300 0.085 0.000 1.182 1319 R HN 0.781 nan 8.270 nan 0.000 0.442 1320 T N -0.364 114.308 114.554 0.196 0.000 2.625 1320 T HA 0.224 4.574 4.350 0.000 0.000 0.357 1320 T C 0.861 175.800 174.700 0.398 0.000 1.053 1320 T CA -0.030 62.253 62.100 0.305 0.000 1.037 1320 T CB 0.614 69.615 68.868 0.223 0.000 1.123 1320 T HN 0.603 nan 8.240 nan 0.000 0.520 1321 G N -0.987 108.057 108.800 0.407 0.000 2.971 1321 G HA2 0.587 4.548 3.960 0.000 0.000 0.235 1321 G HA3 0.587 4.548 3.960 0.000 0.000 0.235 1321 G C -0.683 174.255 174.900 0.064 0.000 1.351 1321 G CA -1.324 43.860 45.100 0.139 0.000 1.039 1321 G HN 0.840 nan 8.290 nan 0.000 0.563 1322 L N 1.158 122.356 121.223 -0.042 0.000 2.410 1322 L HA 0.228 4.568 4.340 0.000 0.000 0.273 1322 L C 0.133 177.003 176.870 -0.001 0.000 1.144 1322 L CA -0.146 54.675 54.840 -0.031 0.000 0.863 1322 L CB 0.802 42.809 42.059 -0.085 0.000 1.140 1322 L HN 0.247 nan 8.230 nan 0.000 0.463 1323 I N 5.755 126.340 120.570 0.025 0.000 2.347 1323 I HA -0.005 4.165 4.170 0.000 0.000 0.294 1323 I C 0.441 176.565 176.117 0.010 0.000 1.090 1323 I CA -0.130 61.192 61.300 0.037 0.000 1.314 1323 I CB -0.014 38.020 38.000 0.057 0.000 1.423 1323 I HN 0.717 nan 8.210 nan 0.000 0.503 1324 K N 4.376 124.776 120.400 -0.001 0.000 3.244 1324 K HA -0.202 4.118 4.320 0.000 0.000 0.270 1324 K C 0.924 177.502 176.600 -0.036 0.000 1.016 1324 K CA 0.413 56.688 56.287 -0.019 0.000 0.754 1324 K CB -2.128 30.368 32.500 -0.006 0.000 1.326 1324 K HN 1.058 nan 8.250 nan 0.000 0.465 1325 G N -0.380 108.387 108.800 -0.056 0.000 2.225 1325 G HA2 -0.441 3.519 3.960 0.000 0.000 0.272 1325 G HA3 -0.441 3.519 3.960 0.000 0.000 0.272 1325 G C 0.834 175.697 174.900 -0.062 0.000 0.996 1325 G CA 1.287 46.345 45.100 -0.070 0.000 0.710 1325 G HN 0.645 nan 8.290 nan 0.000 0.522 1326 S N -1.222 114.450 115.700 -0.047 0.000 2.289 1326 S HA 0.440 4.910 4.470 0.000 0.000 0.193 1326 S C 2.312 176.875 174.600 -0.061 0.000 1.002 1326 S CA 2.236 60.408 58.200 -0.046 0.000 0.951 1326 S CB -0.186 62.997 63.200 -0.028 0.000 0.920 1326 S HN 2.235 nan 8.310 nan 0.000 0.502 1327 G N -0.693 108.082 108.800 -0.042 0.000 2.313 1327 G HA2 -0.227 3.733 3.960 0.000 0.000 0.215 1327 G HA3 -0.227 3.733 3.960 0.000 0.000 0.215 1327 G C 1.008 175.871 174.900 -0.062 0.000 1.023 1327 G CA 0.896 45.964 45.100 -0.052 0.000 0.626 1327 G HN 0.769 nan 8.290 nan 0.000 0.503 1328 T N 0.455 114.973 114.554 -0.060 0.000 3.044 1328 T HA 0.631 4.981 4.350 0.000 0.000 0.250 1328 T C 1.293 175.980 174.700 -0.022 0.000 1.081 1328 T CA 1.224 63.293 62.100 -0.051 0.000 1.040 1328 T CB 0.569 69.409 68.868 -0.046 0.000 0.962 1328 T HN 1.492 nan 8.240 nan 0.000 0.506 1329 A N 1.500 124.316 122.820 -0.008 0.000 2.407 1329 A HA 0.524 4.845 4.320 0.000 0.000 0.248 1329 A C 0.213 177.827 177.584 0.050 0.000 1.082 1329 A CA -0.267 51.781 52.037 0.018 0.000 0.785 1329 A CB 0.406 19.416 19.000 0.017 0.000 1.020 1329 A HN 0.404 nan 8.150 nan 0.000 0.489 1330 E N -0.210 120.041 120.200 0.085 0.000 2.393 1330 E HA 0.737 5.087 4.350 0.000 0.000 0.265 1330 E C -1.632 175.086 176.600 0.197 0.000 0.941 1330 E CA -0.760 55.739 56.400 0.165 0.000 0.801 1330 E CB 2.375 32.200 29.700 0.210 0.000 1.313 1330 E HN 0.406 nan 8.360 nan 0.000 0.435 1331 V N 1.125 121.187 119.914 0.248 0.000 2.924 1331 V HA 0.147 4.267 4.120 0.000 0.000 0.300 1331 V C -1.200 174.830 176.094 -0.106 0.000 1.227 1331 V CA -0.706 61.659 62.300 0.109 0.000 0.954 1331 V CB 2.179 34.036 31.823 0.056 0.000 1.055 1331 V HN 0.630 nan 8.190 nan 0.000 0.429 1332 E N 3.811 123.818 120.200 -0.321 0.000 2.249 1332 E HA 0.640 4.990 4.350 0.000 0.000 0.280 1332 E C -1.502 174.892 176.600 -0.343 0.000 1.016 1332 E CA -0.503 55.462 56.400 -0.724 0.000 0.830 1332 E CB 1.239 30.445 29.700 -0.824 0.000 1.081 1332 E HN 0.527 nan 8.360 nan 0.000 0.395 1333 L N 4.574 125.605 121.223 -0.320 0.000 2.333 1333 L HA 0.457 4.797 4.340 0.000 0.000 0.280 1333 L C -0.104 176.681 176.870 -0.141 0.000 1.004 1333 L CA -0.914 53.829 54.840 -0.161 0.000 0.820 1333 L CB 1.604 43.606 42.059 -0.095 0.000 1.247 1333 L HN 0.377 nan 8.230 nan 0.000 0.416 1334 K N 2.372 122.715 120.400 -0.094 0.000 2.098 1334 K HA 0.354 4.674 4.320 0.000 0.000 0.261 1334 K C -0.439 176.136 176.600 -0.041 0.000 0.987 1334 K CA -0.904 55.343 56.287 -0.066 0.000 0.916 1334 K CB 1.973 34.442 32.500 -0.050 0.000 1.039 1334 K HN 0.424 nan 8.250 nan 0.000 0.455 1335 K N 0.019 120.402 120.400 -0.029 0.000 2.258 1335 K HA 0.092 4.412 4.320 0.000 0.000 0.264 1335 K C 0.810 177.400 176.600 -0.016 0.000 1.007 1335 K CA 0.884 57.160 56.287 -0.018 0.000 0.941 1335 K CB 0.423 32.918 32.500 -0.008 0.000 0.966 1335 K HN 0.732 nan 8.250 nan 0.000 0.480 1336 G N 1.521 110.312 108.800 -0.014 0.000 2.347 1336 G HA2 -0.381 3.579 3.960 0.000 0.000 0.247 1336 G HA3 -0.381 3.579 3.960 0.000 0.000 0.247 1336 G C 0.503 175.395 174.900 -0.014 0.000 1.037 1336 G CA 0.385 45.478 45.100 -0.012 0.000 0.622 1336 G HN 1.045 nan 8.290 nan 0.000 0.521 1337 A N -0.373 122.437 122.820 -0.017 0.000 2.422 1337 A HA 0.513 4.833 4.320 0.000 0.000 0.278 1337 A C 0.779 178.354 177.584 -0.015 0.000 1.181 1337 A CA 1.888 53.915 52.037 -0.017 0.000 0.866 1337 A CB -0.062 18.924 19.000 -0.023 0.000 1.113 1337 A HN 1.054 nan 8.150 nan 0.000 0.523 1338 T N -0.423 114.124 114.554 -0.012 0.000 2.887 1338 T HA 0.569 4.919 4.350 0.000 0.000 0.288 1338 T C -1.254 173.442 174.700 -0.006 0.000 1.021 1338 T CA -0.195 61.900 62.100 -0.009 0.000 1.000 1338 T CB 1.207 70.070 68.868 -0.008 0.000 1.034 1338 T HN 0.716 nan 8.240 nan 0.000 0.467 1339 L N 2.867 124.089 121.223 -0.002 0.000 2.455 1339 L HA 0.642 4.983 4.340 0.000 0.000 0.264 1339 L C -1.050 175.827 176.870 0.012 0.000 0.968 1339 L CA -0.740 54.103 54.840 0.006 0.000 0.827 1339 L CB 1.906 43.969 42.059 0.006 0.000 1.317 1339 L HN 0.604 nan 8.230 nan 0.000 0.407 1340 K N 5.009 125.417 120.400 0.012 0.000 2.293 1340 K HA 0.617 4.937 4.320 0.000 0.000 0.267 1340 K C -1.090 175.526 176.600 0.026 0.000 1.010 1340 K CA -0.411 55.887 56.287 0.018 0.000 0.875 1340 K CB 0.781 33.263 32.500 -0.030 0.000 1.106 1340 K HN 0.650 nan 8.250 nan 0.000 0.450 1341 I N 4.160 124.756 120.570 0.043 0.000 2.416 1341 I HA 0.125 4.295 4.170 0.000 0.000 0.288 1341 I C -0.206 175.916 176.117 0.007 0.000 1.051 1341 I CA 0.296 61.603 61.300 0.012 0.000 1.375 1341 I CB 1.467 39.458 38.000 -0.016 0.000 1.407 1341 I HN 0.664 nan 8.210 nan 0.000 0.516 1342 T N 6.015 120.537 114.554 -0.053 0.000 2.907 1342 T HA 0.472 4.822 4.350 0.000 0.000 0.292 1342 T C 0.306 174.851 174.700 -0.259 0.000 1.043 1342 T CA -0.579 61.465 62.100 -0.093 0.000 1.003 1342 T CB 2.051 70.837 68.868 -0.137 0.000 1.084 1342 T HN 0.210 nan 8.240 nan 0.000 0.483 1343 L N 0.823 121.919 121.223 -0.212 0.000 2.728 1343 L HA 0.302 4.642 4.340 0.000 0.000 0.238 1343 L C 0.673 177.556 176.870 0.022 0.000 1.143 1343 L CA 0.128 54.784 54.840 -0.307 0.000 0.937 1343 L CB 0.029 41.967 42.059 -0.202 0.000 1.225 1343 L HN 0.628 nan 8.230 nan 0.000 0.507 1344 D N 0.215 120.696 120.400 0.136 0.000 2.346 1344 D HA -0.037 4.604 4.640 0.000 0.000 0.267 1344 D C 1.099 177.766 176.300 0.612 0.000 1.320 1344 D CA 0.440 54.612 54.000 0.285 0.000 0.951 1344 D CB 0.222 41.074 40.800 0.088 0.000 1.079 1344 D HN 0.240 nan 8.370 nan 0.000 0.509 1345 N N 2.738 121.752 118.700 0.523 0.000 2.132 1345 N HA -0.233 4.507 4.740 0.000 0.000 0.191 1345 N C 1.061 176.655 175.510 0.140 0.000 1.015 1345 N CA 1.001 54.268 53.050 0.363 0.000 0.864 1345 N CB 0.024 38.642 38.487 0.218 0.000 1.006 1345 N HN 0.423 nan 8.380 nan 0.000 0.430 1346 A N -0.464 122.499 122.820 0.237 0.000 2.223 1346 A HA -0.024 4.296 4.320 0.000 0.000 0.222 1346 A C 0.162 177.727 177.584 -0.033 0.000 1.317 1346 A CA 0.568 52.659 52.037 0.091 0.000 0.985 1346 A CB -0.460 18.590 19.000 0.082 0.000 0.858 1346 A HN 0.403 nan 8.150 nan 0.000 0.496 1347 Y N -2.830 117.457 120.300 -0.021 0.000 2.563 1347 Y HA 0.095 4.645 4.550 0.000 0.000 0.273 1347 Y C 1.769 177.567 175.900 -0.170 0.000 1.034 1347 Y CA 0.062 58.166 58.100 0.007 0.000 1.217 1347 Y CB -0.457 38.114 38.460 0.185 0.000 1.380 1347 Y HN 0.382 nan 8.280 nan 0.000 0.568 1348 M N 0.620 119.932 119.600 -0.479 0.000 2.124 1348 M HA -0.308 4.172 4.480 0.000 0.000 0.253 1348 M C 0.713 176.630 176.300 -0.638 0.000 1.077 1348 M CA 2.385 56.866 55.300 -1.365 0.000 1.085 1348 M CB -0.080 31.709 32.600 -1.352 0.000 1.320 1348 M HN 0.251 nan 8.290 nan 0.000 0.404 1349 E N -0.248 119.733 120.200 -0.365 0.000 2.499 1349 E HA 0.130 4.480 4.350 0.000 0.000 0.199 1349 E C -0.332 176.189 176.600 -0.132 0.000 1.016 1349 E CA -0.090 56.180 56.400 -0.218 0.000 0.933 1349 E CB 0.435 30.016 29.700 -0.199 0.000 1.050 1349 E HN 0.560 nan 8.360 nan 0.000 0.462 1350 K N 0.190 120.532 120.400 -0.097 0.000 2.972 1350 K HA 0.242 4.562 4.320 0.000 0.000 0.209 1350 K C -0.222 176.410 176.600 0.053 0.000 1.128 1350 K CA -0.294 55.958 56.287 -0.058 0.000 1.024 1350 K CB 0.495 32.893 32.500 -0.170 0.000 0.754 1350 K HN 0.019 nan 8.250 nan 0.000 0.454 1351 C N 2.191 121.541 119.300 0.083 0.000 2.767 1351 C HA 0.204 4.664 4.460 0.000 0.000 0.353 1351 C C 0.724 175.774 174.990 0.100 0.000 1.376 1351 C CA 0.094 59.197 59.018 0.141 0.000 2.284 1351 C CB -0.346 27.486 27.740 0.154 0.000 2.535 1351 C HN 0.832 nan 8.230 nan 0.000 0.745 1352 D N -2.451 118.011 120.400 0.103 0.000 2.940 1352 D HA 0.077 4.717 4.640 0.000 0.000 0.304 1352 D C 0.558 176.894 176.300 0.059 0.000 1.255 1352 D CA -0.307 53.735 54.000 0.071 0.000 0.734 1352 D CB -0.022 40.813 40.800 0.060 0.000 1.261 1352 D HN 0.504 nan 8.370 nan 0.000 0.436 1353 E N 0.894 121.114 120.200 0.034 0.000 2.187 1353 E HA -0.317 4.034 4.350 0.000 0.000 0.199 1353 E C 0.449 177.061 176.600 0.021 0.000 1.004 1353 E CA 2.013 58.420 56.400 0.012 0.000 0.813 1353 E CB -0.604 29.090 29.700 -0.010 0.000 0.736 1353 E HN 0.591 nan 8.360 nan 0.000 0.468 1354 N N 0.009 118.732 118.700 0.038 0.000 2.349 1354 N HA 0.199 4.939 4.740 0.000 0.000 0.180 1354 N C 0.462 176.002 175.510 0.051 0.000 1.024 1354 N CA 0.379 53.452 53.050 0.038 0.000 0.869 1354 N CB 0.503 39.016 38.487 0.044 0.000 1.022 1354 N HN 0.078 nan 8.380 nan 0.000 0.433 1355 I N 1.436 122.061 120.570 0.093 0.000 2.441 1355 I HA 0.339 4.510 4.170 0.000 0.000 0.295 1355 I C -1.291 174.915 176.117 0.148 0.000 0.994 1355 I CA -0.849 60.524 61.300 0.122 0.000 1.144 1355 I CB 2.117 40.263 38.000 0.243 0.000 1.314 1355 I HN -0.021 nan 8.210 nan 0.000 0.445 1356 L N 6.881 128.182 121.223 0.131 0.000 2.471 1356 L HA 0.406 4.746 4.340 0.000 0.000 0.263 1356 L C -1.132 175.853 176.870 0.192 0.000 0.985 1356 L CA -0.215 54.722 54.840 0.162 0.000 0.868 1356 L CB 1.187 43.305 42.059 0.098 0.000 1.203 1356 L HN 0.660 nan 8.230 nan 0.000 0.429 1357 W N 5.739 127.082 121.300 0.071 0.000 2.161 1357 W HA 0.594 5.254 4.660 0.000 0.000 0.344 1357 W C -1.188 175.368 176.519 0.061 0.000 1.262 1357 W CA -0.122 57.264 57.345 0.068 0.000 1.270 1357 W CB 0.892 30.417 29.460 0.109 0.000 1.126 1357 W HN 0.444 nan 8.180 nan 0.000 0.598 1358 L N 3.406 124.016 121.223 -1.020 0.000 2.415 1358 L HA 0.163 4.503 4.340 0.000 0.000 0.256 1358 L C 0.690 176.763 176.870 -1.330 0.000 1.010 1358 L CA -0.610 53.745 54.840 -0.809 0.000 0.826 1358 L CB 1.933 43.762 42.059 -0.382 0.000 1.405 1358 L HN 0.572 nan 8.230 nan 0.000 0.410 1359 D N 0.360 120.528 120.400 -0.388 0.000 2.183 1359 D HA -0.165 4.476 4.640 0.000 0.000 0.203 1359 D C -0.284 176.004 176.300 -0.021 0.000 0.969 1359 D CA 1.291 55.254 54.000 -0.061 0.000 0.842 1359 D CB 0.359 41.219 40.800 0.100 0.000 0.957 1359 D HN 0.328 nan 8.370 nan 0.000 0.484 1360 Y N 2.481 122.652 120.300 -0.215 0.000 2.627 1360 Y HA 0.064 4.614 4.550 0.000 0.000 0.347 1360 Y C 0.894 176.691 175.900 -0.171 0.000 1.099 1360 Y CA -0.742 57.263 58.100 -0.159 0.000 1.408 1360 Y CB 0.329 38.706 38.460 -0.139 0.000 1.247 1360 Y HN -0.325 nan 8.280 nan 0.000 0.506 1361 K N 2.584 122.765 120.400 -0.367 0.000 2.585 1361 K HA -0.140 4.180 4.320 0.000 0.000 0.194 1361 K C 1.107 177.437 176.600 -0.450 0.000 1.037 1361 K CA 0.624 56.705 56.287 -0.343 0.000 0.964 1361 K CB -0.110 32.263 32.500 -0.212 0.000 0.787 1361 K HN 0.682 nan 8.250 nan 0.000 0.488 1362 N N 0.452 118.654 118.700 -0.829 0.000 2.210 1362 N HA -0.025 4.715 4.740 0.000 0.000 0.203 1362 N C 1.415 176.654 175.510 -0.452 0.000 1.175 1362 N CA -0.097 52.553 53.050 -0.666 0.000 0.894 1362 N CB 0.517 38.554 38.487 -0.749 0.000 1.041 1362 N HN -0.043 nan 8.380 nan 0.000 0.506 1363 I N 1.995 122.343 120.570 -0.370 0.000 2.227 1363 I HA -0.349 3.821 4.170 0.000 0.000 0.250 1363 I C 1.431 177.546 176.117 -0.003 0.000 1.087 1363 I CA 1.328 62.719 61.300 0.153 0.000 1.352 1363 I CB -0.881 37.266 38.000 0.244 0.000 1.043 1363 I HN 0.306 nan 8.210 nan 0.000 0.425 1364 C N 0.435 119.667 119.300 -0.114 0.000 2.432 1364 C HA -0.107 4.353 4.460 0.000 0.000 0.282 1364 C C 2.539 177.462 174.990 -0.111 0.000 1.388 1364 C CA 0.659 59.593 59.018 -0.141 0.000 1.777 1364 C CB -1.010 26.609 27.740 -0.202 0.000 1.882 1364 C HN 0.472 nan 8.230 nan 0.000 0.520 1365 K N -0.166 120.178 120.400 -0.095 0.000 2.211 1365 K HA 0.031 4.351 4.320 0.000 0.000 0.201 1365 K C 1.789 178.376 176.600 -0.022 0.000 1.052 1365 K CA 0.508 56.754 56.287 -0.068 0.000 0.973 1365 K CB -0.112 32.339 32.500 -0.081 0.000 0.766 1365 K HN 0.314 nan 8.250 nan 0.000 0.466 1366 V N 0.830 120.758 119.914 0.024 0.000 3.541 1366 V HA 0.090 4.210 4.120 0.000 0.000 0.267 1366 V C 0.078 176.186 176.094 0.022 0.000 1.213 1366 V CA 0.212 62.547 62.300 0.058 0.000 1.149 1366 V CB 0.564 32.481 31.823 0.156 0.000 0.822 1366 V HN 0.003 nan 8.190 nan 0.000 0.462 1367 V N 0.461 120.372 119.914 -0.004 0.000 2.680 1367 V HA 0.578 4.699 4.120 0.000 0.000 0.309 1367 V C -0.927 175.142 176.094 -0.041 0.000 1.052 1367 V CA -0.798 61.489 62.300 -0.022 0.000 0.908 1367 V CB 2.128 33.934 31.823 -0.028 0.000 1.001 1367 V HN 0.407 nan 8.190 nan 0.000 0.431 1368 D N 3.170 123.548 120.400 -0.036 0.000 2.387 1368 D HA 0.447 5.088 4.640 0.000 0.000 0.255 1368 D C -0.236 176.038 176.300 -0.043 0.000 1.081 1368 D CA -0.140 53.836 54.000 -0.039 0.000 0.994 1368 D CB 1.967 42.749 40.800 -0.029 0.000 1.127 1368 D HN 0.397 nan 8.370 nan 0.000 0.513 1369 V N 0.425 120.314 119.914 -0.041 0.000 2.715 1369 V HA 0.406 4.526 4.120 0.000 0.000 0.299 1369 V C 1.562 177.639 176.094 -0.029 0.000 1.054 1369 V CA 1.255 63.534 62.300 -0.036 0.000 1.077 1369 V CB 0.714 32.519 31.823 -0.031 0.000 0.972 1369 V HN 0.933 nan 8.190 nan 0.000 0.484 1370 G N 3.561 112.344 108.800 -0.030 0.000 2.299 1370 G HA2 -0.272 3.689 3.960 0.000 0.000 0.237 1370 G HA3 -0.272 3.689 3.960 0.000 0.000 0.237 1370 G C 0.607 175.486 174.900 -0.035 0.000 1.027 1370 G CA 0.240 45.324 45.100 -0.027 0.000 0.619 1370 G HN 0.760 nan 8.290 nan 0.000 0.513 1371 S N 0.323 116.000 115.700 -0.038 0.000 2.589 1371 S HA 0.448 4.919 4.470 0.000 0.000 0.256 1371 S C 0.391 174.944 174.600 -0.078 0.000 1.383 1371 S CA 0.641 58.815 58.200 -0.044 0.000 0.983 1371 S CB 0.754 63.931 63.200 -0.038 0.000 0.908 1371 S HN 0.567 nan 8.310 nan 0.000 0.572 1372 K N 0.402 120.738 120.400 -0.108 0.000 2.378 1372 K HA 0.595 4.915 4.320 0.000 0.000 0.252 1372 K C -1.678 174.743 176.600 -0.298 0.000 0.931 1372 K CA -0.426 55.718 56.287 -0.240 0.000 0.794 1372 K CB 1.851 34.168 32.500 -0.306 0.000 1.181 1372 K HN 0.275 nan 8.250 nan 0.000 0.425 1373 V N 4.109 123.809 119.914 -0.357 0.000 2.409 1373 V HA 0.363 4.483 4.120 0.000 0.000 0.291 1373 V C -1.199 174.694 176.094 -0.335 0.000 1.020 1373 V CA -0.882 61.270 62.300 -0.246 0.000 0.848 1373 V CB 0.725 32.478 31.823 -0.117 0.000 0.990 1373 V HN 0.606 nan 8.190 nan 0.000 0.430 1374 Y N 3.342 123.648 120.300 0.011 0.000 2.320 1374 Y HA 0.635 5.186 4.550 0.000 0.000 0.334 1374 Y C 0.188 176.107 175.900 0.031 0.000 1.055 1374 Y CA -0.658 57.456 58.100 0.023 0.000 1.143 1374 Y CB 1.827 40.304 38.460 0.028 0.000 1.193 1374 Y HN 0.380 nan 8.280 nan 0.000 0.477 1375 V N 2.727 122.763 119.914 0.203 0.000 2.555 1375 V HA 0.277 4.397 4.120 0.000 0.000 0.302 1375 V C -0.593 175.596 176.094 0.159 0.000 1.038 1375 V CA -1.223 61.167 62.300 0.150 0.000 0.887 1375 V CB 1.608 33.494 31.823 0.104 0.000 0.991 1375 V HN 0.805 nan 8.190 nan 0.000 0.434 1376 D N 3.695 124.182 120.400 0.146 0.000 3.278 1376 D HA -0.158 4.482 4.640 0.000 0.000 0.233 1376 D C 0.305 176.682 176.300 0.128 0.000 1.149 1376 D CA 0.955 55.039 54.000 0.141 0.000 0.957 1376 D CB -0.703 40.180 40.800 0.139 0.000 0.913 1376 D HN 0.902 nan 8.370 nan 0.000 0.409 1377 D N 0.630 121.101 120.400 0.119 0.000 2.737 1377 D HA -0.172 4.468 4.640 0.000 0.000 0.233 1377 D C 1.292 177.621 176.300 0.049 0.000 1.155 1377 D CA 2.455 56.502 54.000 0.079 0.000 0.667 1377 D CB -1.399 39.440 40.800 0.065 0.000 1.060 1377 D HN 1.019 nan 8.370 nan 0.000 0.427 1378 G N -1.307 107.549 108.800 0.094 0.000 2.159 1378 G HA2 -0.384 3.577 3.960 0.000 0.000 0.256 1378 G HA3 -0.384 3.577 3.960 0.000 0.000 0.256 1378 G C 0.928 175.925 174.900 0.161 0.000 0.977 1378 G CA 0.678 45.833 45.100 0.093 0.000 0.652 1378 G HN 0.537 nan 8.290 nan 0.000 0.531 1379 L N 0.490 121.799 121.223 0.142 0.000 2.017 1379 L HA 0.279 4.620 4.340 0.000 0.000 0.208 1379 L C 1.344 178.296 176.870 0.137 0.000 1.073 1379 L CA 1.785 56.700 54.840 0.125 0.000 0.745 1379 L CB -0.100 42.030 42.059 0.118 0.000 0.894 1379 L HN 0.368 nan 8.230 nan 0.000 0.432 1380 I N 0.211 120.871 120.570 0.151 0.000 2.378 1380 I HA 0.230 4.400 4.170 0.000 0.000 0.291 1380 I C -0.089 176.098 176.117 0.116 0.000 0.992 1380 I CA -0.272 61.096 61.300 0.113 0.000 1.154 1380 I CB 1.197 39.239 38.000 0.070 0.000 1.315 1380 I HN 0.059 nan 8.210 nan 0.000 0.448 1381 S N 7.658 123.389 115.700 0.051 0.000 2.422 1381 S HA 0.647 5.117 4.470 0.000 0.000 0.308 1381 S C -0.736 173.777 174.600 -0.145 0.000 1.097 1381 S CA -0.534 57.598 58.200 -0.113 0.000 1.099 1381 S CB 0.235 63.411 63.200 -0.040 0.000 0.976 1381 S HN 0.470 nan 8.310 nan 0.000 0.471 1382 L N 4.723 125.811 121.223 -0.225 0.000 2.313 1382 L HA 0.537 4.877 4.340 0.000 0.000 0.283 1382 L C -0.026 176.742 176.870 -0.169 0.000 1.013 1382 L CA -0.570 54.182 54.840 -0.146 0.000 0.816 1382 L CB 1.825 43.825 42.059 -0.098 0.000 1.236 1382 L HN 0.655 nan 8.230 nan 0.000 0.419 1383 Q N 2.731 122.466 119.800 -0.110 0.000 2.314 1383 Q HA 0.414 4.755 4.340 0.000 0.000 0.259 1383 Q C -1.125 174.838 176.000 -0.063 0.000 0.951 1383 Q CA -0.705 55.043 55.803 -0.092 0.000 0.909 1383 Q CB 1.870 30.568 28.738 -0.065 0.000 1.236 1383 Q HN 0.451 nan 8.270 nan 0.000 0.444 1384 V N 5.814 125.691 119.914 -0.062 0.000 2.485 1384 V HA -0.025 4.096 4.120 0.000 0.000 0.287 1384 V C 0.840 176.917 176.094 -0.028 0.000 1.022 1384 V CA 0.297 62.572 62.300 -0.043 0.000 1.067 1384 V CB 0.732 32.525 31.823 -0.051 0.000 0.967 1384 V HN 0.877 nan 8.190 nan 0.000 0.479 1385 K N 3.486 123.880 120.400 -0.011 0.000 2.214 1385 K HA 0.146 4.466 4.320 0.000 0.000 0.201 1385 K C 0.568 177.173 176.600 0.008 0.000 1.049 1385 K CA 0.674 56.961 56.287 -0.000 0.000 0.978 1385 K CB 0.405 32.910 32.500 0.009 0.000 0.842 1385 K HN 0.928 nan 8.250 nan 0.000 0.474 1386 Q N 0.482 120.297 119.800 0.024 0.000 2.426 1386 Q HA 0.408 4.748 4.340 0.000 0.000 0.278 1386 Q C -1.758 174.244 176.000 0.004 0.000 1.007 1386 Q CA -0.981 54.841 55.803 0.032 0.000 0.850 1386 Q CB 2.074 30.855 28.738 0.071 0.000 1.427 1386 Q HN -0.063 nan 8.270 nan 0.000 0.391 1387 K N 0.089 120.421 120.400 -0.113 0.000 2.469 1387 K HA 0.887 5.207 4.320 0.000 0.000 0.254 1387 K C -0.769 175.504 176.600 -0.545 0.000 0.939 1387 K CA -0.624 55.443 56.287 -0.366 0.000 0.812 1387 K CB 2.222 34.562 32.500 -0.267 0.000 1.301 1387 K HN 0.716 nan 8.250 nan 0.000 0.433 1388 G N 0.424 108.561 108.800 -1.105 0.000 3.257 1388 G HA2 0.504 4.464 3.960 0.000 0.000 0.205 1388 G HA3 0.504 4.464 3.960 0.000 0.000 0.205 1388 G C -2.028 172.540 174.900 -0.553 0.000 1.234 1388 G CA -1.078 43.525 45.100 -0.828 0.000 0.918 1388 G HN 0.492 nan 8.290 nan 0.000 0.602 1389 P HA 0.135 nan 4.420 nan 0.000 0.216 1389 P C 0.571 177.762 177.300 -0.182 0.000 1.154 1389 P CA 0.973 63.958 63.100 -0.192 0.000 0.857 1389 P CB 0.626 32.277 31.700 -0.081 0.000 0.787 1390 D N -0.776 119.562 120.400 -0.104 0.000 2.149 1390 D HA 0.067 4.707 4.640 0.000 0.000 0.206 1390 D C 0.815 177.114 176.300 -0.003 0.000 0.967 1390 D CA 0.881 54.883 54.000 0.003 0.000 0.848 1390 D CB -0.103 40.819 40.800 0.204 0.000 0.998 1390 D HN 0.183 nan 8.370 nan 0.000 0.474 1391 F N -1.096 118.795 119.950 -0.099 0.000 2.712 1391 F HA 0.662 5.189 4.527 0.000 0.000 0.367 1391 F C -1.159 174.589 175.800 -0.086 0.000 1.132 1391 F CA -1.301 56.635 58.000 -0.106 0.000 1.066 1391 F CB 0.762 39.700 39.000 -0.103 0.000 1.416 1391 F HN -0.375 nan 8.300 nan 0.000 0.515 1392 L N 2.023 123.327 121.223 0.135 0.000 2.431 1392 L HA 0.558 4.898 4.340 0.000 0.000 0.266 1392 L C -0.999 176.006 176.870 0.226 0.000 0.978 1392 L CA -0.903 53.965 54.840 0.048 0.000 0.822 1392 L CB 1.714 43.751 42.059 -0.035 0.000 1.310 1392 L HN 0.624 nan 8.230 nan 0.000 0.409 1393 V N 2.111 122.140 119.914 0.191 0.000 2.334 1393 V HA 0.628 4.748 4.120 0.000 0.000 0.281 1393 V C 0.186 176.312 176.094 0.054 0.000 1.016 1393 V CA -0.294 62.092 62.300 0.143 0.000 0.832 1393 V CB 1.866 33.792 31.823 0.172 0.000 0.999 1393 V HN 0.955 nan 8.190 nan 0.000 0.439 1394 T N 1.933 116.504 114.554 0.027 0.000 2.907 1394 T HA 0.705 5.055 4.350 0.000 0.000 0.292 1394 T C -0.697 173.999 174.700 -0.007 0.000 1.043 1394 T CA -0.757 61.342 62.100 -0.002 0.000 1.003 1394 T CB 2.118 70.975 68.868 -0.017 0.000 1.084 1394 T HN 0.745 nan 8.240 nan 0.000 0.483 1395 E N 2.200 122.390 120.200 -0.017 0.000 2.175 1395 E HA 0.540 4.890 4.350 0.000 0.000 0.278 1395 E C -0.968 175.617 176.600 -0.025 0.000 0.969 1395 E CA -1.036 55.354 56.400 -0.017 0.000 0.796 1395 E CB 1.529 31.220 29.700 -0.015 0.000 1.104 1395 E HN 0.504 nan 8.360 nan 0.000 0.395 1396 V N 4.887 124.787 119.914 -0.023 0.000 2.446 1396 V HA -0.044 4.076 4.120 0.000 0.000 0.276 1396 V C 1.307 177.388 176.094 -0.022 0.000 1.030 1396 V CA 0.456 62.740 62.300 -0.025 0.000 1.033 1396 V CB 0.679 32.487 31.823 -0.025 0.000 0.993 1396 V HN 0.959 nan 8.190 nan 0.000 0.477 1397 E N 4.392 124.577 120.200 -0.025 0.000 2.230 1397 E HA -0.025 4.325 4.350 0.000 0.000 0.192 1397 E C 0.585 177.185 176.600 -0.000 0.000 0.987 1397 E CA 0.398 56.788 56.400 -0.016 0.000 0.841 1397 E CB 0.342 30.025 29.700 -0.028 0.000 0.783 1397 E HN 0.920 nan 8.360 nan 0.000 0.481 1398 N N -0.762 117.941 118.700 0.004 0.000 2.324 1398 N HA 0.209 4.949 4.740 0.000 0.000 0.285 1398 N C -0.295 175.217 175.510 0.005 0.000 1.076 1398 N CA -0.596 52.463 53.050 0.015 0.000 0.864 1398 N CB 1.520 40.030 38.487 0.037 0.000 1.632 1398 N HN -0.022 nan 8.380 nan 0.000 0.478 1399 G N -0.365 108.433 108.800 -0.003 0.000 2.606 1399 G HA2 0.580 4.540 3.960 0.000 0.000 0.252 1399 G HA3 0.580 4.540 3.960 0.000 0.000 0.252 1399 G C 0.145 175.031 174.900 -0.024 0.000 1.206 1399 G CA 0.108 45.189 45.100 -0.031 0.000 0.861 1399 G HN 0.928 nan 8.290 nan 0.000 0.561 1400 G N -1.536 107.207 108.800 -0.095 0.000 2.347 1400 G HA2 0.374 4.334 3.960 0.000 0.000 0.303 1400 G HA3 0.374 4.334 3.960 0.000 0.000 0.303 1400 G C -1.147 173.653 174.900 -0.167 0.000 1.481 1400 G CA -1.107 43.965 45.100 -0.046 0.000 0.914 1400 G HN 0.484 nan 8.290 nan 0.000 0.638 1401 F N 0.474 120.447 119.950 0.039 0.000 2.471 1401 F HA 0.450 4.977 4.527 0.000 0.000 0.365 1401 F C 0.792 176.620 175.800 0.046 0.000 1.095 1401 F CA -0.215 57.808 58.000 0.038 0.000 1.174 1401 F CB 1.367 40.387 39.000 0.033 0.000 1.105 1401 F HN 0.386 nan 8.300 nan 0.000 0.535 1402 L N 5.057 126.354 121.223 0.123 0.000 2.257 1402 L HA 0.707 5.048 4.340 0.000 0.000 0.290 1402 L C 0.167 177.125 176.870 0.147 0.000 1.044 1402 L CA 0.217 55.128 54.840 0.118 0.000 0.810 1402 L CB 0.465 42.562 42.059 0.063 0.000 1.193 1402 L HN 0.569 nan 8.230 nan 0.000 0.425 1403 G N 2.743 111.631 108.800 0.145 0.000 2.702 1403 G HA2 0.576 4.537 3.960 0.000 0.000 0.254 1403 G HA3 0.576 4.537 3.960 0.000 0.000 0.254 1403 G C -0.957 174.015 174.900 0.119 0.000 1.380 1403 G CA -0.450 44.726 45.100 0.127 0.000 1.042 1403 G HN 0.689 nan 8.290 nan 0.000 0.557 1404 S N -0.164 115.600 115.700 0.107 0.000 2.617 1404 S HA 0.412 4.883 4.470 0.000 0.000 0.283 1404 S C 0.013 174.726 174.600 0.188 0.000 1.189 1404 S CA -0.722 57.547 58.200 0.115 0.000 1.036 1404 S CB 1.578 64.816 63.200 0.063 0.000 1.014 1404 S HN 0.558 nan 8.310 nan 0.000 0.522 1405 K N -0.141 120.360 120.400 0.169 0.000 3.078 1405 K HA -0.153 4.167 4.320 0.000 0.000 0.261 1405 K C -0.386 176.314 176.600 0.166 0.000 0.947 1405 K CA 0.588 56.973 56.287 0.163 0.000 0.702 1405 K CB -1.003 31.597 32.500 0.167 0.000 1.318 1405 K HN 0.441 nan 8.250 nan 0.000 0.473 1406 K N 0.066 120.575 120.400 0.183 0.000 2.187 1406 K HA 0.192 4.512 4.320 0.000 0.000 0.247 1406 K C 0.993 177.672 176.600 0.131 0.000 1.019 1406 K CA 0.155 56.547 56.287 0.175 0.000 0.893 1406 K CB 0.367 32.966 32.500 0.164 0.000 1.025 1406 K HN 0.332 nan 8.250 nan 0.000 0.500 1407 G N -0.318 108.563 108.800 0.134 0.000 2.332 1407 G HA2 0.481 4.442 3.960 0.000 0.000 0.310 1407 G HA3 0.481 4.442 3.960 0.000 0.000 0.310 1407 G C -0.986 173.980 174.900 0.110 0.000 1.123 1407 G CA -0.519 44.651 45.100 0.117 0.000 0.873 1407 G HN 0.204 nan 8.290 nan 0.000 0.460 1408 V N 3.500 123.456 119.914 0.070 0.000 2.370 1408 V HA 0.340 4.461 4.120 0.000 0.000 0.283 1408 V C -0.417 175.707 176.094 0.050 0.000 1.023 1408 V CA -1.079 61.257 62.300 0.060 0.000 0.857 1408 V CB 1.261 33.094 31.823 0.016 0.000 0.985 1408 V HN 0.700 nan 8.190 nan 0.000 0.443 1409 N N 5.429 124.207 118.700 0.130 0.000 2.479 1409 N HA 0.353 5.094 4.740 0.000 0.000 0.261 1409 N C -1.209 174.414 175.510 0.187 0.000 0.979 1409 N CA -0.635 52.493 53.050 0.131 0.000 0.930 1409 N CB 2.341 40.901 38.487 0.122 0.000 1.172 1409 N HN 0.324 nan 8.380 nan 0.000 0.499 1410 L N 4.099 125.365 121.223 0.072 0.000 2.657 1410 L HA 0.342 4.682 4.340 0.000 0.000 0.239 1410 L C -2.039 174.872 176.870 0.069 0.000 1.215 1410 L CA -2.197 52.680 54.840 0.061 0.000 1.161 1410 L CB -0.710 41.334 42.059 -0.025 0.000 1.436 1410 L HN 0.250 nan 8.230 nan 0.000 0.414 1411 P HA 0.098 nan 4.420 nan 0.000 0.264 1411 P C 0.861 178.195 177.300 0.058 0.000 1.183 1411 P CA 0.348 63.502 63.100 0.091 0.000 0.763 1411 P CB 0.548 32.315 31.700 0.110 0.000 0.807 1412 G N 1.390 110.203 108.800 0.022 0.000 2.350 1412 G HA2 0.049 4.009 3.960 0.000 0.000 0.298 1412 G HA3 0.049 4.009 3.960 0.000 0.000 0.298 1412 G C 0.073 174.974 174.900 0.002 0.000 1.037 1412 G CA 0.094 45.195 45.100 0.002 0.000 1.074 1412 G HN 0.883 nan 8.290 nan 0.000 0.511 1413 A N -0.579 122.239 122.820 -0.002 0.000 2.455 1413 A HA 0.969 5.289 4.320 0.000 0.000 0.300 1413 A C 0.269 177.845 177.584 -0.014 0.000 1.040 1413 A CA 0.273 52.307 52.037 -0.006 0.000 0.697 1413 A CB 1.478 20.474 19.000 -0.006 0.000 1.265 1413 A HN 2.098 nan 8.150 nan 0.000 0.407 1414 A N 2.123 124.943 122.820 0.000 0.000 2.899 1414 A HA 0.482 4.802 4.320 0.000 0.000 0.287 1414 A C 0.414 178.010 177.584 0.019 0.000 1.715 1414 A CA 0.062 52.103 52.037 0.007 0.000 1.393 1414 A CB -1.460 17.549 19.000 0.015 0.000 1.070 1414 A HN 1.778 nan 8.150 nan 0.000 0.587 1415 V N 0.912 120.807 119.914 -0.032 0.000 2.461 1415 V HA 0.389 4.509 4.120 0.000 0.000 0.275 1415 V C 0.089 176.176 176.094 -0.011 0.000 1.047 1415 V CA -0.624 61.633 62.300 -0.072 0.000 0.955 1415 V CB 1.262 32.898 31.823 -0.312 0.000 0.988 1415 V HN 0.698 nan 8.190 nan 0.000 0.471 1416 D N 3.520 123.965 120.400 0.074 0.000 2.722 1416 D HA 0.217 4.857 4.640 0.000 0.000 0.239 1416 D C 0.203 176.536 176.300 0.056 0.000 1.249 1416 D CA -0.401 53.636 54.000 0.061 0.000 0.830 1416 D CB -0.122 40.725 40.800 0.079 0.000 1.025 1416 D HN 0.552 nan 8.370 nan 0.000 0.486 1417 L N 0.763 121.993 121.223 0.012 0.000 2.467 1417 L HA 0.250 4.590 4.340 0.000 0.000 0.270 1417 L C -1.727 175.150 176.870 0.011 0.000 1.205 1417 L CA -1.457 53.387 54.840 0.006 0.000 0.828 1417 L CB 0.044 42.066 42.059 -0.060 0.000 1.101 1417 L HN -0.029 nan 8.230 nan 0.000 0.479 1418 P HA 0.159 nan 4.420 nan 0.000 0.284 1418 P C -0.067 177.251 177.300 0.031 0.000 1.253 1418 P CA -0.496 62.622 63.100 0.031 0.000 0.800 1418 P CB 1.479 33.201 31.700 0.038 0.000 0.961 1419 A N 3.162 126.005 122.820 0.038 0.000 1.933 1419 A HA -0.022 4.299 4.320 0.000 0.000 0.218 1419 A C 0.889 178.505 177.584 0.053 0.000 1.175 1419 A CA 1.448 53.513 52.037 0.047 0.000 0.628 1419 A CB -0.511 18.517 19.000 0.047 0.000 0.814 1419 A HN 0.422 nan 8.150 nan 0.000 0.444 1420 V N 1.069 121.012 119.914 0.049 0.000 2.380 1420 V HA 0.220 4.340 4.120 0.000 0.000 0.268 1420 V C -0.152 175.974 176.094 0.053 0.000 1.008 1420 V CA -0.741 61.591 62.300 0.053 0.000 0.823 1420 V CB 0.704 32.557 31.823 0.050 0.000 1.053 1420 V HN 0.338 nan 8.190 nan 0.000 0.446 1421 S N 2.086 117.820 115.700 0.058 0.000 2.563 1421 S HA -0.034 4.436 4.470 0.000 0.000 0.269 1421 S C 1.430 176.067 174.600 0.062 0.000 1.364 1421 S CA 0.087 58.323 58.200 0.059 0.000 1.010 1421 S CB 0.834 64.074 63.200 0.066 0.000 0.877 1421 S HN 0.886 nan 8.310 nan 0.000 0.549 1422 E N 1.308 121.542 120.200 0.057 0.000 2.208 1422 E HA -0.121 4.229 4.350 0.000 0.000 0.193 1422 E C 1.482 178.123 176.600 0.068 0.000 0.988 1422 E CA 1.020 57.454 56.400 0.057 0.000 0.828 1422 E CB -0.009 29.719 29.700 0.047 0.000 0.763 1422 E HN 0.525 nan 8.360 nan 0.000 0.478 1423 K N 0.320 120.764 120.400 0.072 0.000 2.031 1423 K HA -0.110 4.210 4.320 0.000 0.000 0.205 1423 K C 1.860 178.533 176.600 0.122 0.000 1.049 1423 K CA 1.306 57.646 56.287 0.089 0.000 0.939 1423 K CB -0.011 32.541 32.500 0.085 0.000 0.717 1423 K HN 0.070 nan 8.250 nan 0.000 0.438 1424 D N 1.229 121.692 120.400 0.104 0.000 2.106 1424 D HA -0.199 4.441 4.640 0.000 0.000 0.191 1424 D C 1.897 178.252 176.300 0.091 0.000 0.997 1424 D CA 1.124 55.183 54.000 0.098 0.000 0.834 1424 D CB -0.326 40.520 40.800 0.078 0.000 0.956 1424 D HN 0.146 nan 8.370 nan 0.000 0.448 1425 I N 0.701 121.320 120.570 0.083 0.000 2.087 1425 I HA -0.372 3.798 4.170 0.000 0.000 0.240 1425 I C 2.676 178.858 176.117 0.109 0.000 1.054 1425 I CA 1.481 62.828 61.300 0.079 0.000 1.311 1425 I CB -0.450 37.593 38.000 0.070 0.000 1.024 1425 I HN 0.139 nan 8.210 nan 0.000 0.402 1426 Q N 0.903 120.785 119.800 0.136 0.000 2.029 1426 Q HA -0.300 4.040 4.340 0.000 0.000 0.209 1426 Q C 1.872 178.064 176.000 0.319 0.000 0.999 1426 Q CA 2.532 58.458 55.803 0.205 0.000 0.857 1426 Q CB -0.067 28.766 28.738 0.158 0.000 0.926 1426 Q HN 0.459 nan 8.270 nan 0.000 0.415 1427 D N 0.364 120.957 120.400 0.322 0.000 2.092 1427 D HA -0.184 4.456 4.640 0.000 0.000 0.193 1427 D C 2.107 178.450 176.300 0.071 0.000 0.994 1427 D CA 1.123 55.284 54.000 0.269 0.000 0.828 1427 D CB -0.443 40.457 40.800 0.166 0.000 0.963 1427 D HN 0.307 nan 8.370 nan 0.000 0.450 1428 L N 0.879 122.119 121.223 0.028 0.000 1.978 1428 L HA -0.250 4.090 4.340 0.000 0.000 0.218 1428 L C 2.460 179.329 176.870 -0.001 0.000 1.075 1428 L CA 1.503 56.330 54.840 -0.022 0.000 0.767 1428 L CB -0.444 41.620 42.059 0.010 0.000 0.890 1428 L HN 0.049 nan 8.230 nan 0.000 0.434 1429 K N -0.737 119.704 120.400 0.068 0.000 2.152 1429 K HA -0.223 4.097 4.320 0.000 0.000 0.206 1429 K C 1.995 178.647 176.600 0.086 0.000 1.048 1429 K CA 1.442 57.774 56.287 0.075 0.000 0.933 1429 K CB -0.480 32.086 32.500 0.110 0.000 0.721 1429 K HN 0.223 nan 8.250 nan 0.000 0.447 1430 F N 1.686 121.600 119.950 -0.060 0.000 2.113 1430 F HA -0.049 4.478 4.527 0.000 0.000 0.297 1430 F C 2.188 177.899 175.800 -0.148 0.000 1.103 1430 F CA 1.696 59.616 58.000 -0.134 0.000 1.248 1430 F CB -0.811 37.947 39.000 -0.403 0.000 0.999 1430 F HN 0.003 nan 8.300 nan 0.000 0.475 1431 G N -0.131 108.410 108.800 -0.431 0.000 2.448 1431 G HA2 -0.170 3.790 3.960 0.000 0.000 0.219 1431 G HA3 -0.170 3.790 3.960 0.000 0.000 0.219 1431 G C 1.686 176.391 174.900 -0.324 0.000 1.127 1431 G CA 1.043 45.851 45.100 -0.487 0.000 0.766 1431 G HN 0.361 nan 8.290 nan 0.000 0.552 1432 V N 0.633 120.421 119.914 -0.209 0.000 2.626 1432 V HA -0.061 4.060 4.120 0.000 0.000 0.252 1432 V C 2.499 178.515 176.094 -0.129 0.000 1.067 1432 V CA 1.621 63.844 62.300 -0.128 0.000 1.081 1432 V CB -0.071 31.712 31.823 -0.066 0.000 0.686 1432 V HN 0.331 nan 8.190 nan 0.000 0.468 1433 E N -0.765 119.329 120.200 -0.177 0.000 2.318 1433 E HA -0.039 4.311 4.350 0.000 0.000 0.193 1433 E C 2.088 178.564 176.600 -0.207 0.000 0.998 1433 E CA 0.275 56.588 56.400 -0.145 0.000 0.859 1433 E CB -0.031 29.617 29.700 -0.087 0.000 0.812 1433 E HN 0.495 nan 8.360 nan 0.000 0.492 1434 Q N 0.555 120.144 119.800 -0.352 0.000 2.389 1434 Q HA -0.039 4.301 4.340 0.000 0.000 0.204 1434 Q C -0.108 175.776 176.000 -0.194 0.000 0.944 1434 Q CA 0.417 56.009 55.803 -0.351 0.000 0.908 1434 Q CB -0.061 28.308 28.738 -0.616 0.000 1.002 1434 Q HN 0.189 nan 8.270 nan 0.000 0.493 1435 D N -0.333 119.971 120.400 -0.161 0.000 2.716 1435 D HA -0.139 4.501 4.640 0.000 0.000 0.239 1435 D C -0.410 175.838 176.300 -0.086 0.000 1.125 1435 D CA 0.565 54.507 54.000 -0.095 0.000 0.681 1435 D CB -1.207 39.560 40.800 -0.055 0.000 1.070 1435 D HN 0.106 nan 8.370 nan 0.000 0.432 1436 V N -2.454 117.384 119.914 -0.127 0.000 2.924 1436 V HA 0.310 4.430 4.120 0.000 0.000 0.305 1436 V C 1.393 177.443 176.094 -0.073 0.000 1.073 1436 V CA 0.369 62.598 62.300 -0.118 0.000 1.098 1436 V CB 1.385 33.098 31.823 -0.183 0.000 1.000 1436 V HN 0.098 nan 8.190 nan 0.000 0.484 1437 D N 2.768 123.139 120.400 -0.049 0.000 2.301 1437 D HA 0.163 4.803 4.640 0.000 0.000 0.206 1437 D C 0.657 176.952 176.300 -0.009 0.000 0.979 1437 D CA 1.255 55.253 54.000 -0.004 0.000 0.874 1437 D CB 0.522 41.346 40.800 0.040 0.000 0.968 1437 D HN 0.812 nan 8.370 nan 0.000 0.510 1438 M N -1.279 118.284 119.600 -0.063 0.000 2.813 1438 M HA 0.566 5.047 4.480 0.000 0.000 0.270 1438 M C -1.669 174.536 176.300 -0.157 0.000 1.267 1438 M CA -1.003 54.267 55.300 -0.049 0.000 0.822 1438 M CB 3.022 35.652 32.600 0.050 0.000 1.671 1438 M HN -0.416 nan 8.290 nan 0.000 0.468 1439 V N 1.888 121.767 119.914 -0.059 0.000 2.623 1439 V HA 0.498 4.619 4.120 0.000 0.000 0.304 1439 V C -1.523 174.689 176.094 0.196 0.000 1.054 1439 V CA -0.431 61.822 62.300 -0.078 0.000 0.882 1439 V CB 2.027 33.819 31.823 -0.052 0.000 1.002 1439 V HN 0.661 nan 8.190 nan 0.000 0.424 1440 F N 3.569 123.498 119.950 -0.036 0.000 2.377 1440 F HA 0.596 5.123 4.527 0.000 0.000 0.360 1440 F C 0.854 176.644 175.800 -0.017 0.000 1.147 1440 F CA -1.579 56.406 58.000 -0.025 0.000 1.170 1440 F CB 0.669 39.661 39.000 -0.013 0.000 1.339 1440 F HN 0.529 nan 8.300 nan 0.000 0.552 1441 A N 2.868 125.783 122.820 0.158 0.000 2.395 1441 A HA 0.471 4.791 4.320 0.000 0.000 0.286 1441 A C 0.447 178.087 177.584 0.094 0.000 1.193 1441 A CA -0.426 51.670 52.037 0.098 0.000 0.852 1441 A CB -0.364 18.672 19.000 0.060 0.000 1.118 1441 A HN 0.611 nan 8.150 nan 0.000 0.524 1442 S N 1.895 117.671 115.700 0.127 0.000 2.564 1442 S HA 0.451 4.921 4.470 0.000 0.000 0.278 1442 S C -0.160 174.580 174.600 0.234 0.000 1.333 1442 S CA -0.325 57.953 58.200 0.131 0.000 1.048 1442 S CB -0.291 63.046 63.200 0.229 0.000 0.900 1442 S HN 0.760 nan 8.310 nan 0.000 0.505 1443 F N -0.091 119.877 119.950 0.029 0.000 2.688 1443 F HA -0.150 4.378 4.527 0.000 0.000 0.276 1443 F C -0.072 175.737 175.800 0.016 0.000 1.034 1443 F CA -0.082 57.929 58.000 0.018 0.000 0.991 1443 F CB -1.293 37.715 39.000 0.014 0.000 1.119 1443 F HN 0.449 nan 8.300 nan 0.000 0.837 1444 I N 1.827 122.459 120.570 0.102 0.000 2.342 1444 I HA 0.218 4.388 4.170 0.000 0.000 0.291 1444 I C 1.249 177.407 176.117 0.068 0.000 1.010 1444 I CA -0.070 61.273 61.300 0.072 0.000 1.308 1444 I CB 1.631 39.646 38.000 0.026 0.000 1.400 1444 I HN 0.426 nan 8.210 nan 0.000 0.488 1445 R N 4.444 124.983 120.500 0.066 0.000 2.344 1445 R HA 0.179 4.520 4.340 0.000 0.000 0.209 1445 R C -0.334 175.986 176.300 0.032 0.000 0.886 1445 R CA 0.236 56.372 56.100 0.061 0.000 1.040 1445 R CB 0.648 30.992 30.300 0.073 0.000 1.114 1445 R HN 0.602 nan 8.270 nan 0.000 0.547 1446 K N -2.148 118.260 120.400 0.013 0.000 2.622 1446 K HA 0.317 4.637 4.320 0.000 0.000 0.273 1446 K C -0.217 176.361 176.600 -0.036 0.000 0.957 1446 K CA -0.035 56.249 56.287 -0.006 0.000 0.861 1446 K CB 0.924 33.433 32.500 0.014 0.000 1.405 1446 K HN -0.115 nan 8.250 nan 0.000 0.406 1447 A N 1.927 124.705 122.820 -0.069 0.000 1.985 1447 A HA -0.277 4.043 4.320 0.000 0.000 0.223 1447 A C 2.205 179.692 177.584 -0.162 0.000 1.189 1447 A CA 3.034 54.974 52.037 -0.161 0.000 0.658 1447 A CB -1.030 17.896 19.000 -0.124 0.000 0.820 1447 A HN 1.000 nan 8.150 nan 0.000 0.464 1448 A N -0.096 122.747 122.820 0.037 0.000 1.940 1448 A HA -0.225 4.096 4.320 0.000 0.000 0.219 1448 A C 1.724 179.346 177.584 0.064 0.000 1.176 1448 A CA 1.951 54.069 52.037 0.135 0.000 0.631 1448 A CB -0.593 18.465 19.000 0.097 0.000 0.814 1448 A HN 0.553 nan 8.150 nan 0.000 0.446 1449 D N 0.019 120.425 120.400 0.010 0.000 2.117 1449 D HA -0.115 4.525 4.640 0.000 0.000 0.197 1449 D C 2.116 178.404 176.300 -0.020 0.000 0.987 1449 D CA 1.585 55.592 54.000 0.011 0.000 0.829 1449 D CB -0.740 40.072 40.800 0.020 0.000 0.961 1449 D HN 0.287 nan 8.370 nan 0.000 0.460 1450 V N 1.021 120.868 119.914 -0.112 0.000 2.255 1450 V HA -0.290 3.830 4.120 0.000 0.000 0.247 1450 V C 2.126 178.152 176.094 -0.114 0.000 1.051 1450 V CA 1.915 64.117 62.300 -0.164 0.000 1.018 1450 V CB -1.060 30.590 31.823 -0.288 0.000 0.641 1450 V HN 0.283 nan 8.190 nan 0.000 0.445 1451 H N -0.263 118.809 119.070 0.004 0.000 2.387 1451 H HA -0.161 4.396 4.556 0.000 0.000 0.299 1451 H C 2.500 177.834 175.328 0.010 0.000 1.099 1451 H CA 1.686 57.737 56.048 0.005 0.000 1.315 1451 H CB 0.042 29.805 29.762 0.002 0.000 1.380 1451 H HN 0.486 nan 8.280 nan 0.000 0.513 1452 E N 0.230 120.507 120.200 0.128 0.000 2.077 1452 E HA -0.143 4.207 4.350 0.000 0.000 0.193 1452 E C 2.295 178.928 176.600 0.056 0.000 0.989 1452 E CA 1.239 57.687 56.400 0.080 0.000 0.800 1452 E CB 0.133 29.871 29.700 0.064 0.000 0.746 1452 E HN 0.244 nan 8.360 nan 0.000 0.452 1453 V N 0.666 120.604 119.914 0.039 0.000 2.358 1453 V HA -0.227 3.894 4.120 0.000 0.000 0.246 1453 V C 2.370 178.481 176.094 0.029 0.000 1.047 1453 V CA 1.721 64.038 62.300 0.028 0.000 1.035 1453 V CB -0.459 31.374 31.823 0.017 0.000 0.658 1453 V HN 0.142 nan 8.190 nan 0.000 0.452 1454 R N 0.580 121.102 120.500 0.037 0.000 2.096 1454 R HA -0.222 4.118 4.340 0.000 0.000 0.240 1454 R C 2.385 178.714 176.300 0.049 0.000 1.139 1454 R CA 2.125 58.253 56.100 0.047 0.000 0.952 1454 R CB -0.442 29.907 30.300 0.082 0.000 0.854 1454 R HN 0.477 nan 8.270 nan 0.000 0.436 1455 K N -0.047 120.389 120.400 0.060 0.000 2.000 1455 K HA -0.198 4.123 4.320 0.000 0.000 0.218 1455 K C 1.789 178.412 176.600 0.037 0.000 1.053 1455 K CA 2.073 58.389 56.287 0.049 0.000 0.946 1455 K CB -0.199 32.334 32.500 0.054 0.000 0.723 1455 K HN 0.121 nan 8.250 nan 0.000 0.446 1456 I N 1.461 122.053 120.570 0.036 0.000 2.454 1456 I HA -0.223 3.947 4.170 0.000 0.000 0.254 1456 I C 2.186 178.316 176.117 0.023 0.000 1.156 1456 I CA 0.871 62.190 61.300 0.031 0.000 1.433 1456 I CB -1.165 36.854 38.000 0.033 0.000 1.082 1456 I HN 0.218 nan 8.210 nan 0.000 0.432 1457 L N 0.450 121.684 121.223 0.018 0.000 2.141 1457 L HA 0.089 4.429 4.340 0.000 0.000 0.209 1457 L C 1.699 178.576 176.870 0.012 0.000 1.094 1457 L CA 1.215 56.059 54.840 0.008 0.000 0.763 1457 L CB -1.619 40.443 42.059 0.005 0.000 0.908 1457 L HN 0.450 nan 8.230 nan 0.000 0.437 1458 G N -0.595 108.217 108.800 0.020 0.000 2.622 1458 G HA2 -0.355 3.606 3.960 0.000 0.000 0.272 1458 G HA3 -0.355 3.606 3.960 0.000 0.000 0.272 1458 G C 0.998 175.908 174.900 0.017 0.000 1.308 1458 G CA 0.383 45.495 45.100 0.020 0.000 0.919 1458 G HN 0.245 nan 8.290 nan 0.000 0.565 1459 E N -0.053 120.157 120.200 0.016 0.000 2.051 1459 E HA -0.129 4.222 4.350 0.000 0.000 0.192 1459 E C 2.552 179.159 176.600 0.012 0.000 0.991 1459 E CA 1.497 57.906 56.400 0.015 0.000 0.799 1459 E CB -0.232 29.477 29.700 0.014 0.000 0.748 1459 E HN 0.531 nan 8.360 nan 0.000 0.449 1460 K N -0.481 119.924 120.400 0.009 0.000 2.211 1460 K HA -0.116 4.205 4.320 0.000 0.000 0.204 1460 K C 1.140 177.740 176.600 0.000 0.000 1.047 1460 K CA 1.249 57.538 56.287 0.004 0.000 0.935 1460 K CB -0.036 32.464 32.500 0.001 0.000 0.728 1460 K HN 0.047 nan 8.250 nan 0.000 0.452 1461 G N 0.763 109.564 108.800 0.001 0.000 4.757 1461 G HA2 0.069 4.029 3.960 0.000 0.000 0.303 1461 G HA3 0.069 4.029 3.960 0.000 0.000 0.303 1461 G C 0.183 175.089 174.900 0.010 0.000 1.318 1461 G CA -0.541 44.559 45.100 -0.001 0.000 1.020 1461 G HN 0.268 nan 8.290 nan 0.000 0.589 1462 K N -1.224 119.187 120.400 0.017 0.000 2.486 1462 K HA 0.114 4.434 4.320 0.000 0.000 0.194 1462 K C 1.075 177.694 176.600 0.031 0.000 1.033 1462 K CA 0.648 56.949 56.287 0.025 0.000 1.004 1462 K CB 0.161 32.676 32.500 0.025 0.000 0.798 1462 K HN 0.265 nan 8.250 nan 0.000 0.495 1463 N N 0.625 119.342 118.700 0.030 0.000 2.220 1463 N HA 0.204 4.944 4.740 0.000 0.000 0.195 1463 N C -0.432 175.102 175.510 0.040 0.000 1.123 1463 N CA -0.347 52.727 53.050 0.040 0.000 0.874 1463 N CB 0.460 38.973 38.487 0.043 0.000 0.995 1463 N HN 0.072 nan 8.380 nan 0.000 0.498 1464 I N 2.079 122.663 120.570 0.023 0.000 2.533 1464 I HA 0.031 4.201 4.170 0.000 0.000 0.284 1464 I C 0.163 176.295 176.117 0.025 0.000 1.109 1464 I CA -0.215 61.093 61.300 0.014 0.000 1.412 1464 I CB 0.430 38.421 38.000 -0.014 0.000 1.396 1464 I HN -0.105 nan 8.210 nan 0.000 0.543 1465 K N 7.481 127.903 120.400 0.038 0.000 2.379 1465 K HA 0.401 4.721 4.320 0.000 0.000 0.284 1465 K C -0.299 176.327 176.600 0.043 0.000 1.044 1465 K CA -0.083 56.233 56.287 0.048 0.000 0.974 1465 K CB 0.927 33.466 32.500 0.064 0.000 0.962 1465 K HN 0.527 nan 8.250 nan 0.000 0.474 1466 I N 5.045 125.635 120.570 0.033 0.000 2.307 1466 I HA 0.174 4.344 4.170 0.000 0.000 0.289 1466 I C -0.102 176.036 176.117 0.034 0.000 1.021 1466 I CA -0.733 60.586 61.300 0.033 0.000 1.224 1466 I CB 0.789 38.795 38.000 0.010 0.000 1.376 1466 I HN 0.192 nan 8.210 nan 0.000 0.470 1467 I N 5.453 126.073 120.570 0.085 0.000 2.328 1467 I HA 0.217 4.387 4.170 0.000 0.000 0.287 1467 I C 0.320 176.460 176.117 0.038 0.000 1.012 1467 I CA -0.263 61.069 61.300 0.055 0.000 1.195 1467 I CB 1.081 39.134 38.000 0.088 0.000 1.350 1467 I HN 0.427 nan 8.210 nan 0.000 0.464 1468 S N 6.927 122.623 115.700 -0.007 0.000 2.489 1468 S HA 0.349 4.819 4.470 0.000 0.000 0.277 1468 S C 0.140 174.724 174.600 -0.028 0.000 1.230 1468 S CA -0.753 57.443 58.200 -0.008 0.000 1.053 1468 S CB 0.644 63.832 63.200 -0.020 0.000 0.955 1468 S HN 0.399 nan 8.310 nan 0.000 0.488 1469 K N 2.634 123.011 120.400 -0.040 0.000 2.211 1469 K HA 0.420 4.740 4.320 0.000 0.000 0.275 1469 K C -0.738 175.795 176.600 -0.112 0.000 1.024 1469 K CA -0.604 55.624 56.287 -0.098 0.000 0.887 1469 K CB 0.728 33.152 32.500 -0.126 0.000 1.084 1469 K HN 0.391 nan 8.250 nan 0.000 0.463 1470 I N 4.150 124.651 120.570 -0.115 0.000 2.282 1470 I HA 0.039 4.209 4.170 0.000 0.000 0.290 1470 I C 0.458 176.466 176.117 -0.181 0.000 1.090 1470 I CA 0.022 61.258 61.300 -0.108 0.000 1.231 1470 I CB -0.075 37.880 38.000 -0.076 0.000 1.434 1470 I HN 0.843 nan 8.210 nan 0.000 0.487 1471 E N 5.727 125.777 120.200 -0.252 0.000 2.995 1471 E HA 0.257 4.607 4.350 0.000 0.000 0.203 1471 E C -0.419 176.097 176.600 -0.140 0.000 0.980 1471 E CA -0.516 55.690 56.400 -0.323 0.000 1.172 1471 E CB 0.374 29.671 29.700 -0.672 0.000 1.088 1471 E HN 0.743 nan 8.360 nan 0.000 0.463 1472 N N -0.538 118.146 118.700 -0.028 0.000 3.185 1472 N HA -0.014 4.727 4.740 0.000 0.000 0.238 1472 N C -0.054 175.489 175.510 0.055 0.000 1.451 1472 N CA -0.714 52.384 53.050 0.080 0.000 0.888 1472 N CB 0.765 39.365 38.487 0.188 0.000 1.413 1472 N HN -0.015 nan 8.380 nan 0.000 0.511 1473 H N -0.039 119.041 119.070 0.018 0.000 2.422 1473 H HA -0.101 4.455 4.556 0.000 0.000 0.298 1473 H C 1.787 177.123 175.328 0.013 0.000 1.098 1473 H CA 2.512 58.562 56.048 0.004 0.000 1.315 1473 H CB 0.378 30.141 29.762 0.002 0.000 1.382 1473 H HN 0.714 nan 8.280 nan 0.000 0.523 1474 E N -0.899 119.360 120.200 0.099 0.000 2.051 1474 E HA -0.088 4.263 4.350 0.000 0.000 0.189 1474 E C 2.533 179.146 176.600 0.023 0.000 0.979 1474 E CA 0.694 57.135 56.400 0.067 0.000 0.803 1474 E CB -0.306 29.446 29.700 0.087 0.000 0.761 1474 E HN 0.584 nan 8.360 nan 0.000 0.451 1475 G N 0.836 109.655 108.800 0.031 0.000 2.469 1475 G HA2 -0.271 3.689 3.960 0.000 0.000 0.219 1475 G HA3 -0.271 3.689 3.960 0.000 0.000 0.219 1475 G C 1.618 176.542 174.900 0.040 0.000 1.150 1475 G CA 1.202 46.324 45.100 0.037 0.000 0.763 1475 G HN 0.222 nan 8.290 nan 0.000 0.561 1476 V N 1.186 121.069 119.914 -0.051 0.000 2.223 1476 V HA -0.208 3.912 4.120 0.000 0.000 0.244 1476 V C 2.785 178.846 176.094 -0.055 0.000 1.045 1476 V CA 2.299 64.534 62.300 -0.108 0.000 1.000 1476 V CB -0.649 31.023 31.823 -0.252 0.000 0.635 1476 V HN 0.499 nan 8.190 nan 0.000 0.445 1477 R N 0.589 121.008 120.500 -0.135 0.000 2.117 1477 R HA -0.187 4.154 4.340 0.000 0.000 0.243 1477 R C 1.958 178.259 176.300 0.003 0.000 1.143 1477 R CA 1.887 57.939 56.100 -0.080 0.000 0.968 1477 R CB -0.180 30.074 30.300 -0.075 0.000 0.863 1477 R HN 0.425 nan 8.270 nan 0.000 0.444 1478 R N -0.243 120.271 120.500 0.023 0.000 2.480 1478 R HA 0.052 4.393 4.340 0.000 0.000 0.277 1478 R C 1.111 177.424 176.300 0.021 0.000 1.008 1478 R CA -0.275 55.837 56.100 0.019 0.000 1.090 1478 R CB -0.090 30.214 30.300 0.008 0.000 1.234 1478 R HN 0.181 nan 8.270 nan 0.000 0.549 1479 F N 2.294 122.200 119.950 -0.073 0.000 2.063 1479 F HA -0.362 4.165 4.527 0.000 0.000 0.298 1479 F C 1.567 177.327 175.800 -0.066 0.000 1.105 1479 F CA 1.975 59.929 58.000 -0.077 0.000 1.215 1479 F CB -0.007 38.938 39.000 -0.093 0.000 0.972 1479 F HN 0.055 nan 8.300 nan 0.000 0.483 1480 D N 0.289 120.528 120.400 -0.268 0.000 2.127 1480 D HA -0.273 4.368 4.640 0.000 0.000 0.190 1480 D C 2.178 178.269 176.300 -0.348 0.000 1.000 1480 D CA 2.139 55.931 54.000 -0.347 0.000 0.839 1480 D CB -0.771 39.952 40.800 -0.127 0.000 0.955 1480 D HN 0.709 nan 8.370 nan 0.000 0.446 1481 E N 0.443 120.518 120.200 -0.209 0.000 2.204 1481 E HA -0.126 4.224 4.350 0.000 0.000 0.195 1481 E C 2.314 178.795 176.600 -0.199 0.000 0.990 1481 E CA 0.646 56.953 56.400 -0.155 0.000 0.821 1481 E CB -0.358 29.294 29.700 -0.080 0.000 0.750 1481 E HN 0.324 nan 8.360 nan 0.000 0.477 1482 I N 1.030 121.444 120.570 -0.260 0.000 2.133 1482 I HA -0.238 3.932 4.170 0.000 0.000 0.238 1482 I C 2.680 178.604 176.117 -0.321 0.000 1.074 1482 I CA 0.899 62.050 61.300 -0.249 0.000 1.342 1482 I CB -0.329 37.557 38.000 -0.190 0.000 1.053 1482 I HN 0.231 nan 8.210 nan 0.000 0.404 1483 L N 1.066 121.947 121.223 -0.570 0.000 2.013 1483 L HA -0.277 4.063 4.340 0.000 0.000 0.212 1483 L C 2.653 179.344 176.870 -0.298 0.000 1.073 1483 L CA 2.330 56.838 54.840 -0.552 0.000 0.753 1483 L CB -0.475 40.988 42.059 -0.993 0.000 0.890 1483 L HN 0.351 nan 8.230 nan 0.000 0.432 1484 E N 0.442 120.482 120.200 -0.266 0.000 2.118 1484 E HA -0.231 4.119 4.350 0.000 0.000 0.195 1484 E C 1.785 178.319 176.600 -0.110 0.000 0.992 1484 E CA 1.964 58.273 56.400 -0.151 0.000 0.804 1484 E CB -0.281 29.352 29.700 -0.112 0.000 0.741 1484 E HN 0.475 nan 8.360 nan 0.000 0.458 1485 A N 0.491 123.225 122.820 -0.145 0.000 1.970 1485 A HA 0.110 4.431 4.320 0.000 0.000 0.216 1485 A C 1.396 178.901 177.584 -0.131 0.000 1.170 1485 A CA 0.694 52.641 52.037 -0.149 0.000 0.645 1485 A CB -0.401 18.404 19.000 -0.325 0.000 0.816 1485 A HN 0.355 nan 8.150 nan 0.000 0.447 1486 S N 0.010 115.628 115.700 -0.137 0.000 2.632 1486 S HA 0.342 4.812 4.470 0.000 0.000 0.271 1486 S C -0.124 174.437 174.600 -0.066 0.000 1.260 1486 S CA -0.430 57.713 58.200 -0.095 0.000 1.010 1486 S CB 1.088 64.233 63.200 -0.093 0.000 0.965 1486 S HN 0.245 nan 8.310 nan 0.000 0.534 1487 D N 0.851 121.229 120.400 -0.038 0.000 2.317 1487 D HA 0.276 4.916 4.640 0.000 0.000 0.211 1487 D C 0.869 177.135 176.300 -0.057 0.000 0.966 1487 D CA 1.083 55.069 54.000 -0.023 0.000 0.876 1487 D CB -0.012 40.790 40.800 0.003 0.000 0.927 1487 D HN 0.807 nan 8.370 nan 0.000 0.519 1488 G N -0.658 108.103 108.800 -0.066 0.000 2.338 1488 G HA2 0.388 4.348 3.960 0.000 0.000 0.295 1488 G HA3 0.388 4.348 3.960 0.000 0.000 0.295 1488 G C -1.706 173.157 174.900 -0.062 0.000 1.461 1488 G CA -0.739 44.308 45.100 -0.088 0.000 0.817 1488 G HN -0.067 nan 8.290 nan 0.000 0.556 1489 I N 0.606 121.141 120.570 -0.059 0.000 2.730 1489 I HA 0.613 4.783 4.170 0.000 0.000 0.298 1489 I C -0.196 175.851 176.117 -0.116 0.000 1.089 1489 I CA -0.774 60.506 61.300 -0.033 0.000 1.041 1489 I CB 2.183 40.250 38.000 0.112 0.000 1.235 1489 I HN 0.749 nan 8.210 nan 0.000 0.423 1490 M N 5.226 124.740 119.600 -0.142 0.000 2.465 1490 M HA 0.542 5.022 4.480 0.000 0.000 0.316 1490 M C -1.647 174.554 176.300 -0.166 0.000 1.121 1490 M CA -0.631 54.546 55.300 -0.206 0.000 0.934 1490 M CB 2.142 34.549 32.600 -0.321 0.000 1.692 1490 M HN 0.264 nan 8.290 nan 0.000 0.444 1491 V N 4.228 124.041 119.914 -0.168 0.000 2.270 1491 V HA 0.464 4.584 4.120 0.000 0.000 0.263 1491 V C 0.444 176.451 176.094 -0.145 0.000 1.066 1491 V CA -0.651 61.554 62.300 -0.159 0.000 0.857 1491 V CB 0.056 31.788 31.823 -0.152 0.000 1.099 1491 V HN 0.879 nan 8.190 nan 0.000 0.476 1492 A N 4.700 127.425 122.820 -0.158 0.000 3.056 1492 A HA 0.364 4.684 4.320 0.000 0.000 0.274 1492 A C 1.413 178.920 177.584 -0.128 0.000 1.661 1492 A CA -0.461 51.486 52.037 -0.150 0.000 1.363 1492 A CB -0.373 18.507 19.000 -0.201 0.000 1.139 1492 A HN 0.849 nan 8.150 nan 0.000 0.598 1493 R N 0.892 121.337 120.500 -0.092 0.000 2.293 1493 R HA -0.067 4.274 4.340 0.000 0.000 0.219 1493 R C 2.060 178.332 176.300 -0.047 0.000 1.091 1493 R CA 1.230 57.290 56.100 -0.067 0.000 1.004 1493 R CB -0.183 30.090 30.300 -0.046 0.000 0.865 1493 R HN 0.610 nan 8.270 nan 0.000 0.469 1494 G N 1.123 109.899 108.800 -0.040 0.000 2.464 1494 G HA2 -0.243 3.718 3.960 0.000 0.000 0.214 1494 G HA3 -0.243 3.718 3.960 0.000 0.000 0.214 1494 G C 0.945 175.838 174.900 -0.011 0.000 1.218 1494 G CA 0.918 46.013 45.100 -0.009 0.000 0.794 1494 G HN 0.189 nan 8.290 nan 0.000 0.542 1495 D N 0.146 120.527 120.400 -0.032 0.000 2.103 1495 D HA -0.066 4.574 4.640 0.000 0.000 0.199 1495 D C 2.505 178.786 176.300 -0.032 0.000 0.978 1495 D CA 0.570 54.567 54.000 -0.006 0.000 0.829 1495 D CB -0.318 40.439 40.800 -0.072 0.000 0.981 1495 D HN 0.152 nan 8.370 nan 0.000 0.464 1496 L N 1.341 122.511 121.223 -0.089 0.000 2.051 1496 L HA -0.125 4.215 4.340 0.000 0.000 0.214 1496 L C 2.225 179.067 176.870 -0.046 0.000 1.076 1496 L CA 2.127 56.922 54.840 -0.073 0.000 0.758 1496 L CB -0.843 41.153 42.059 -0.105 0.000 0.890 1496 L HN 0.060 nan 8.230 nan 0.000 0.433 1497 G N -1.106 107.667 108.800 -0.046 0.000 2.509 1497 G HA2 -0.180 3.780 3.960 0.000 0.000 0.218 1497 G HA3 -0.180 3.780 3.960 0.000 0.000 0.218 1497 G C 1.480 176.340 174.900 -0.068 0.000 1.124 1497 G CA 0.642 45.717 45.100 -0.041 0.000 0.776 1497 G HN 0.392 nan 8.290 nan 0.000 0.547 1498 I N -0.129 120.393 120.570 -0.081 0.000 3.339 1498 I HA 0.137 4.308 4.170 0.000 0.000 0.285 1498 I C 2.052 178.091 176.117 -0.130 0.000 1.201 1498 I CA 0.442 61.640 61.300 -0.170 0.000 1.434 1498 I CB 0.024 37.893 38.000 -0.219 0.000 1.152 1498 I HN 0.080 nan 8.210 nan 0.000 0.443 1499 E N 1.384 121.563 120.200 -0.035 0.000 2.077 1499 E HA -0.082 4.268 4.350 0.000 0.000 0.193 1499 E C 1.091 177.701 176.600 0.015 0.000 0.989 1499 E CA 0.936 57.346 56.400 0.017 0.000 0.800 1499 E CB 0.076 29.827 29.700 0.084 0.000 0.746 1499 E HN 0.552 nan 8.360 nan 0.000 0.452 1500 I N -1.993 118.583 120.570 0.010 0.000 2.982 1500 I HA 0.422 4.592 4.170 0.000 0.000 0.312 1500 I C -2.577 173.536 176.117 -0.006 0.000 1.041 1500 I CA -2.948 58.370 61.300 0.031 0.000 1.053 1500 I CB 1.777 39.819 38.000 0.071 0.000 1.248 1500 I HN -0.324 nan 8.210 nan 0.000 0.471 1501 P HA -0.014 nan 4.420 nan 0.000 0.262 1501 P C 0.415 177.720 177.300 0.009 0.000 1.182 1501 P CA 0.252 63.353 63.100 0.002 0.000 0.761 1501 P CB 0.788 32.498 31.700 0.017 0.000 0.795 1502 A N 4.883 127.704 122.820 0.002 0.000 1.948 1502 A HA -0.218 4.102 4.320 0.000 0.000 0.220 1502 A C 1.757 179.377 177.584 0.060 0.000 1.177 1502 A CA 1.664 53.710 52.037 0.015 0.000 0.636 1502 A CB -0.934 18.069 19.000 0.004 0.000 0.815 1502 A HN 0.653 nan 8.150 nan 0.000 0.449 1503 E N 0.401 120.645 120.200 0.072 0.000 2.515 1503 E HA -0.131 4.219 4.350 0.000 0.000 0.201 1503 E C 0.913 177.647 176.600 0.222 0.000 1.071 1503 E CA 1.128 57.608 56.400 0.134 0.000 0.880 1503 E CB -0.227 29.533 29.700 0.100 0.000 0.828 1503 E HN 0.688 nan 8.360 nan 0.000 0.540 1504 K N 0.282 120.748 120.400 0.110 0.000 2.374 1504 K HA 0.178 4.498 4.320 0.000 0.000 0.202 1504 K C 1.750 178.278 176.600 -0.120 0.000 1.040 1504 K CA 0.146 56.422 56.287 -0.018 0.000 1.085 1504 K CB 0.875 33.347 32.500 -0.047 0.000 0.873 1504 K HN -0.098 nan 8.250 nan 0.000 0.539 1505 V N 1.941 121.862 119.914 0.011 0.000 2.392 1505 V HA -0.278 3.842 4.120 0.000 0.000 0.249 1505 V C 2.099 178.166 176.094 -0.045 0.000 1.059 1505 V CA 1.973 64.258 62.300 -0.025 0.000 1.051 1505 V CB -0.696 31.139 31.823 0.019 0.000 0.658 1505 V HN 0.365 nan 8.190 nan 0.000 0.455 1506 F N 0.325 120.239 119.950 -0.061 0.000 2.216 1506 F HA -0.097 4.430 4.527 0.000 0.000 0.300 1506 F C 1.912 177.667 175.800 -0.075 0.000 1.085 1506 F CA 1.334 59.296 58.000 -0.063 0.000 1.326 1506 F CB -1.196 37.776 39.000 -0.046 0.000 1.027 1506 F HN 0.083 nan 8.300 nan 0.000 0.497 1507 L N 0.890 121.391 121.223 -1.203 0.000 2.017 1507 L HA -0.141 4.199 4.340 0.000 0.000 0.208 1507 L C 3.031 179.648 176.870 -0.421 0.000 1.073 1507 L CA 1.287 55.630 54.840 -0.828 0.000 0.745 1507 L CB -1.355 40.276 42.059 -0.712 0.000 0.894 1507 L HN 0.349 nan 8.230 nan 0.000 0.432 1508 A N -0.458 122.154 122.820 -0.348 0.000 1.858 1508 A HA -0.296 4.024 4.320 0.000 0.000 0.216 1508 A C 2.283 179.697 177.584 -0.283 0.000 1.190 1508 A CA 1.939 53.801 52.037 -0.292 0.000 0.617 1508 A CB -0.730 18.122 19.000 -0.246 0.000 0.827 1508 A HN 0.480 nan 8.150 nan 0.000 0.443 1509 Q N -0.170 119.502 119.800 -0.213 0.000 2.045 1509 Q HA -0.278 4.062 4.340 0.000 0.000 0.206 1509 Q C 2.059 177.962 176.000 -0.162 0.000 0.991 1509 Q CA 2.356 58.060 55.803 -0.164 0.000 0.851 1509 Q CB -0.170 28.523 28.738 -0.075 0.000 0.911 1509 Q HN 0.719 nan 8.270 nan 0.000 0.418 1510 K N -0.103 120.215 120.400 -0.137 0.000 2.026 1510 K HA -0.146 4.174 4.320 0.000 0.000 0.208 1510 K C 2.200 178.707 176.600 -0.156 0.000 1.048 1510 K CA 1.418 57.637 56.287 -0.114 0.000 0.929 1510 K CB -0.302 32.159 32.500 -0.065 0.000 0.713 1510 K HN 0.318 nan 8.250 nan 0.000 0.439 1511 M N 1.390 120.865 119.600 -0.208 0.000 2.080 1511 M HA -0.163 4.317 4.480 0.000 0.000 0.260 1511 M C 1.959 178.089 176.300 -0.284 0.000 1.068 1511 M CA 1.788 56.958 55.300 -0.217 0.000 1.109 1511 M CB -0.309 32.146 32.600 -0.242 0.000 1.342 1511 M HN 0.139 nan 8.290 nan 0.000 0.405 1512 I N -0.012 120.305 120.570 -0.421 0.000 2.252 1512 I HA -0.308 3.863 4.170 0.000 0.000 0.245 1512 I C 2.374 178.312 176.117 -0.297 0.000 1.102 1512 I CA 1.063 61.988 61.300 -0.625 0.000 1.385 1512 I CB -0.342 37.215 38.000 -0.740 0.000 1.064 1512 I HN 0.256 nan 8.210 nan 0.000 0.414 1513 I N 0.548 121.000 120.570 -0.197 0.000 2.252 1513 I HA -0.191 3.979 4.170 0.000 0.000 0.245 1513 I C 2.637 178.709 176.117 -0.075 0.000 1.102 1513 I CA 1.550 62.783 61.300 -0.112 0.000 1.385 1513 I CB -0.704 37.240 38.000 -0.093 0.000 1.064 1513 I HN 0.240 nan 8.210 nan 0.000 0.414 1514 G N 0.701 109.451 108.800 -0.083 0.000 2.459 1514 G HA2 -0.225 3.735 3.960 0.000 0.000 0.217 1514 G HA3 -0.225 3.735 3.960 0.000 0.000 0.217 1514 G C 1.764 176.649 174.900 -0.024 0.000 1.183 1514 G CA 0.457 45.522 45.100 -0.058 0.000 0.776 1514 G HN 0.245 nan 8.290 nan 0.000 0.552 1515 R N -0.311 120.191 120.500 0.003 0.000 2.096 1515 R HA -0.116 4.224 4.340 0.000 0.000 0.240 1515 R C 2.678 179.037 176.300 0.098 0.000 1.139 1515 R CA 1.544 57.703 56.100 0.100 0.000 0.952 1515 R CB -1.088 29.380 30.300 0.280 0.000 0.854 1515 R HN 0.398 nan 8.270 nan 0.000 0.436 1516 C N 0.702 120.066 119.300 0.107 0.000 2.425 1516 C HA -0.062 4.398 4.460 0.000 0.000 0.277 1516 C C 2.337 177.322 174.990 -0.007 0.000 1.280 1516 C CA 0.570 59.622 59.018 0.057 0.000 1.744 1516 C CB -1.379 26.384 27.740 0.038 0.000 1.989 1516 C HN 0.552 nan 8.230 nan 0.000 0.491 1517 N N 0.125 118.812 118.700 -0.022 0.000 2.039 1517 N HA -0.170 4.570 4.740 0.000 0.000 0.193 1517 N C 2.125 177.596 175.510 -0.064 0.000 1.044 1517 N CA 0.917 53.938 53.050 -0.048 0.000 0.847 1517 N CB -0.276 38.183 38.487 -0.047 0.000 1.030 1517 N HN 0.467 nan 8.380 nan 0.000 0.422 1518 R N 1.009 121.485 120.500 -0.041 0.000 2.112 1518 R HA -0.177 4.163 4.340 0.000 0.000 0.242 1518 R C 2.073 178.354 176.300 -0.031 0.000 1.137 1518 R CA 1.801 57.880 56.100 -0.034 0.000 0.944 1518 R CB -0.348 29.946 30.300 -0.009 0.000 0.857 1518 R HN 0.220 nan 8.270 nan 0.000 0.435 1519 A N -0.726 122.085 122.820 -0.016 0.000 2.067 1519 A HA 0.048 4.368 4.320 0.000 0.000 0.219 1519 A C 1.469 179.039 177.584 -0.024 0.000 1.158 1519 A CA 1.395 53.425 52.037 -0.012 0.000 0.661 1519 A CB -0.332 18.659 19.000 -0.015 0.000 0.801 1519 A HN 0.652 nan 8.150 nan 0.000 0.452 1520 G N -1.240 107.530 108.800 -0.049 0.000 2.137 1520 G HA2 -0.232 3.728 3.960 0.000 0.000 0.237 1520 G HA3 -0.232 3.728 3.960 0.000 0.000 0.237 1520 G C 0.016 174.916 174.900 0.000 0.000 1.002 1520 G CA 0.499 45.569 45.100 -0.050 0.000 0.702 1520 G HN 0.588 nan 8.290 nan 0.000 0.515 1521 K N 0.963 121.348 120.400 -0.024 0.000 2.182 1521 K HA 0.509 4.829 4.320 0.000 0.000 0.262 1521 K C -2.492 174.039 176.600 -0.116 0.000 0.957 1521 K CA -2.209 54.046 56.287 -0.053 0.000 0.842 1521 K CB 2.193 34.666 32.500 -0.045 0.000 1.099 1521 K HN -0.032 nan 8.250 nan 0.000 0.438 1522 P HA -0.030 nan 4.420 nan 0.000 0.267 1522 P C -0.845 176.336 177.300 -0.199 0.000 1.205 1522 P CA -0.219 62.690 63.100 -0.318 0.000 0.765 1522 P CB 0.780 32.118 31.700 -0.604 0.000 0.828 1523 V N 5.188 125.008 119.914 -0.156 0.000 2.680 1523 V HA 0.566 4.687 4.120 0.000 0.000 0.309 1523 V C -0.679 175.330 176.094 -0.141 0.000 1.052 1523 V CA -1.078 61.147 62.300 -0.125 0.000 0.908 1523 V CB 1.562 33.334 31.823 -0.085 0.000 1.001 1523 V HN 0.299 nan 8.190 nan 0.000 0.431 1524 I N 5.622 126.095 120.570 -0.162 0.000 2.474 1524 I HA 0.455 4.625 4.170 0.000 0.000 0.294 1524 I C -0.401 175.627 176.117 -0.148 0.000 1.005 1524 I CA -0.470 60.728 61.300 -0.169 0.000 1.113 1524 I CB 1.793 39.642 38.000 -0.251 0.000 1.289 1524 I HN 0.622 nan 8.210 nan 0.000 0.436 1525 C N 5.782 125.014 119.300 -0.113 0.000 2.307 1525 C HA 0.873 5.333 4.460 0.000 0.000 0.340 1525 C C 0.331 175.267 174.990 -0.091 0.000 1.275 1525 C CA -0.022 58.939 59.018 -0.094 0.000 1.811 1525 C CB -0.424 27.278 27.740 -0.064 0.000 2.372 1525 C HN 0.874 nan 8.230 nan 0.000 0.531 1526 A N 4.398 127.164 122.820 -0.091 0.000 2.498 1526 A HA 0.898 5.218 4.320 0.000 0.000 0.298 1526 A C -0.228 177.327 177.584 -0.049 0.000 1.075 1526 A CA -0.149 51.842 52.037 -0.076 0.000 0.714 1526 A CB 1.078 20.009 19.000 -0.114 0.000 1.299 1526 A HN 1.379 nan 8.150 nan 0.000 0.407 1527 T N 1.312 115.853 114.554 -0.022 0.000 0.575 1527 T HA -0.089 4.261 4.350 0.000 0.000 0.770 1527 T C 0.096 174.797 174.700 0.002 0.000 0.992 1527 T CA 0.755 62.852 62.100 -0.004 0.000 4.059 1527 T CB -1.261 67.602 68.868 -0.008 0.000 2.293 1527 T HN 1.617 nan 8.240 nan 0.000 0.396 1528 Q N -0.113 119.696 119.800 0.016 0.000 2.481 1528 Q HA -0.290 4.050 4.340 0.000 0.000 0.258 1528 Q C 1.621 177.629 176.000 0.013 0.000 0.961 1528 Q CA 1.549 57.363 55.803 0.018 0.000 1.121 1528 Q CB -1.132 27.617 28.738 0.018 0.000 1.503 1528 Q HN 0.871 nan 8.270 nan 0.000 0.544 1529 M N -1.151 118.455 119.600 0.010 0.000 2.086 1529 M HA -0.115 4.365 4.480 0.000 0.000 0.261 1529 M C 0.919 177.226 176.300 0.012 0.000 1.067 1529 M CA 1.410 56.715 55.300 0.008 0.000 1.116 1529 M CB -0.045 32.558 32.600 0.004 0.000 1.348 1529 M HN 0.145 nan 8.290 nan 0.000 0.407 1530 L N 0.281 121.515 121.223 0.019 0.000 3.186 1530 L HA 0.242 4.582 4.340 0.000 0.000 0.292 1530 L C 1.130 178.018 176.870 0.029 0.000 1.303 1530 L CA 0.160 55.013 54.840 0.022 0.000 0.940 1530 L CB 0.047 42.121 42.059 0.026 0.000 1.358 1530 L HN 0.001 nan 8.230 nan 0.000 0.581 1531 E N 0.029 120.245 120.200 0.028 0.000 2.045 1531 E HA -0.249 4.101 4.350 0.000 0.000 0.212 1531 E C 2.103 178.726 176.600 0.038 0.000 1.039 1531 E CA 2.057 58.477 56.400 0.033 0.000 0.860 1531 E CB -0.066 29.652 29.700 0.030 0.000 0.776 1531 E HN 0.413 nan 8.360 nan 0.000 0.467 1532 S N -0.447 115.271 115.700 0.031 0.000 2.411 1532 S HA -0.340 4.131 4.470 0.000 0.000 0.293 1532 S C 1.723 176.354 174.600 0.051 0.000 1.146 1532 S CA 2.427 60.646 58.200 0.031 0.000 1.337 1532 S CB -0.613 62.596 63.200 0.015 0.000 1.258 1532 S HN 0.427 nan 8.310 nan 0.000 0.453 1533 M N 0.324 119.954 119.600 0.050 0.000 2.763 1533 M HA -0.171 4.309 4.480 0.000 0.000 0.245 1533 M C 1.340 177.735 176.300 0.159 0.000 1.053 1533 M CA 0.849 56.200 55.300 0.086 0.000 1.053 1533 M CB -0.846 31.787 32.600 0.054 0.000 1.329 1533 M HN 0.365 nan 8.290 nan 0.000 0.528 1534 I N -0.608 120.029 120.570 0.112 0.000 2.716 1534 I HA -0.172 3.998 4.170 0.000 0.000 0.259 1534 I C 2.190 178.371 176.117 0.108 0.000 1.172 1534 I CA 0.886 62.240 61.300 0.090 0.000 1.478 1534 I CB -0.001 38.025 38.000 0.044 0.000 1.104 1534 I HN 0.131 nan 8.210 nan 0.000 0.439 1535 K N 0.058 120.546 120.400 0.146 0.000 2.474 1535 K HA 0.298 4.619 4.320 0.000 0.000 0.202 1535 K C 0.236 177.015 176.600 0.299 0.000 1.248 1535 K CA 0.303 56.687 56.287 0.162 0.000 0.946 1535 K CB 0.558 33.097 32.500 0.066 0.000 1.102 1535 K HN 0.063 nan 8.250 nan 0.000 0.541 1536 K N 1.005 121.521 120.400 0.193 0.000 2.156 1536 K HA 0.234 4.554 4.320 0.000 0.000 0.250 1536 K C -1.971 174.435 176.600 -0.324 0.000 0.955 1536 K CA -1.992 54.296 56.287 0.002 0.000 0.855 1536 K CB 2.015 34.501 32.500 -0.023 0.000 1.101 1536 K HN -0.255 nan 8.250 nan 0.000 0.434 1537 P HA 0.039 nan 4.420 nan 0.000 0.230 1537 P C -0.462 176.630 177.300 -0.348 0.000 1.168 1537 P CA 0.524 63.100 63.100 -0.873 0.000 0.793 1537 P CB 0.600 31.785 31.700 -0.860 0.000 0.851 1538 R N 0.614 120.986 120.500 -0.213 0.000 2.494 1538 R HA 0.468 4.808 4.340 0.000 0.000 0.305 1538 R C -2.379 173.879 176.300 -0.071 0.000 0.959 1538 R CA -2.163 53.870 56.100 -0.113 0.000 0.864 1538 R CB 1.373 31.621 30.300 -0.087 0.000 1.159 1538 R HN 0.025 nan 8.270 nan 0.000 0.446 1539 P HA 0.098 nan 4.420 nan 0.000 0.277 1539 P C -0.430 176.858 177.300 -0.019 0.000 1.271 1539 P CA -0.504 62.583 63.100 -0.022 0.000 0.795 1539 P CB 0.552 32.245 31.700 -0.011 0.000 1.101 1540 T N -1.876 112.672 114.554 -0.010 0.000 2.847 1540 T HA 0.250 4.601 4.350 0.000 0.000 0.279 1540 T C 1.444 176.138 174.700 -0.011 0.000 0.984 1540 T CA -0.594 61.500 62.100 -0.010 0.000 0.988 1540 T CB 0.531 69.396 68.868 -0.005 0.000 1.040 1540 T HN 0.104 nan 8.240 nan 0.000 0.528 1541 R N 1.014 121.507 120.500 -0.012 0.000 2.080 1541 R HA -0.028 4.312 4.340 0.000 0.000 0.236 1541 R C 2.803 179.095 176.300 -0.013 0.000 1.137 1541 R CA 1.863 57.955 56.100 -0.013 0.000 0.943 1541 R CB -1.962 28.330 30.300 -0.014 0.000 0.846 1541 R HN 0.879 nan 8.270 nan 0.000 0.431 1542 A N 1.466 124.278 122.820 -0.014 0.000 1.948 1542 A HA -0.213 4.108 4.320 0.000 0.000 0.220 1542 A C 2.033 179.611 177.584 -0.011 0.000 1.177 1542 A CA 1.835 53.863 52.037 -0.015 0.000 0.636 1542 A CB -0.410 18.582 19.000 -0.014 0.000 0.815 1542 A HN 0.472 nan 8.150 nan 0.000 0.449 1543 E N -1.059 119.137 120.200 -0.007 0.000 2.208 1543 E HA -0.036 4.314 4.350 0.000 0.000 0.193 1543 E C 2.064 178.662 176.600 -0.003 0.000 0.988 1543 E CA 0.544 56.942 56.400 -0.003 0.000 0.828 1543 E CB -0.253 29.447 29.700 0.001 0.000 0.763 1543 E HN 0.624 nan 8.360 nan 0.000 0.478 1544 G N 1.163 109.960 108.800 -0.006 0.000 2.464 1544 G HA2 -0.243 3.717 3.960 0.000 0.000 0.217 1544 G HA3 -0.243 3.717 3.960 0.000 0.000 0.217 1544 G C 1.698 176.594 174.900 -0.006 0.000 1.138 1544 G CA 0.865 45.962 45.100 -0.005 0.000 0.793 1544 G HN 0.349 nan 8.290 nan 0.000 0.539 1545 S N 0.733 116.427 115.700 -0.009 0.000 2.383 1545 S HA -0.135 4.335 4.470 0.000 0.000 0.227 1545 S C 1.862 176.459 174.600 -0.005 0.000 1.026 1545 S CA 1.757 59.952 58.200 -0.009 0.000 0.981 1545 S CB -0.361 62.830 63.200 -0.015 0.000 0.818 1545 S HN 0.305 nan 8.310 nan 0.000 0.472 1546 D N 1.083 121.480 120.400 -0.006 0.000 2.104 1546 D HA -0.106 4.534 4.640 0.000 0.000 0.194 1546 D C 1.824 178.124 176.300 0.000 0.000 0.994 1546 D CA 1.631 55.629 54.000 -0.004 0.000 0.830 1546 D CB -0.293 40.505 40.800 -0.004 0.000 0.959 1546 D HN 0.318 nan 8.370 nan 0.000 0.452 1547 V N 0.519 120.433 119.914 0.001 0.000 2.427 1547 V HA -0.149 3.971 4.120 0.000 0.000 0.248 1547 V C 2.470 178.566 176.094 0.005 0.000 1.051 1547 V CA 1.593 63.894 62.300 0.002 0.000 1.048 1547 V CB -0.842 30.984 31.823 0.004 0.000 0.666 1547 V HN 0.334 nan 8.190 nan 0.000 0.456 1548 A N 0.775 123.598 122.820 0.005 0.000 1.845 1548 A HA -0.278 4.042 4.320 0.000 0.000 0.215 1548 A C 2.040 179.635 177.584 0.019 0.000 1.195 1548 A CA 2.390 54.433 52.037 0.011 0.000 0.616 1548 A CB -0.953 18.051 19.000 0.007 0.000 0.832 1548 A HN 0.629 nan 8.150 nan 0.000 0.443 1549 N N 0.125 118.836 118.700 0.019 0.000 2.205 1549 N HA -0.085 4.655 4.740 0.000 0.000 0.186 1549 N C 1.792 177.315 175.510 0.023 0.000 1.015 1549 N CA 1.281 54.348 53.050 0.028 0.000 0.862 1549 N CB -0.258 38.242 38.487 0.023 0.000 0.986 1549 N HN 0.522 nan 8.380 nan 0.000 0.429 1550 A N 0.313 123.139 122.820 0.011 0.000 1.933 1550 A HA -0.077 4.243 4.320 0.000 0.000 0.218 1550 A C 2.312 179.897 177.584 0.001 0.000 1.175 1550 A CA 1.099 53.136 52.037 0.000 0.000 0.628 1550 A CB -0.616 18.379 19.000 -0.009 0.000 0.814 1550 A HN 0.119 nan 8.150 nan 0.000 0.444 1551 V N 0.008 119.928 119.914 0.010 0.000 2.379 1551 V HA -0.195 3.925 4.120 0.000 0.000 0.245 1551 V C 2.484 178.593 176.094 0.025 0.000 1.044 1551 V CA 1.729 64.038 62.300 0.016 0.000 1.036 1551 V CB -0.634 31.201 31.823 0.020 0.000 0.664 1551 V HN 0.563 nan 8.190 nan 0.000 0.453 1552 L N -0.367 120.879 121.223 0.038 0.000 2.201 1552 L HA -0.132 4.208 4.340 0.000 0.000 0.212 1552 L C 2.268 179.164 176.870 0.044 0.000 1.105 1552 L CA 1.128 56.005 54.840 0.061 0.000 0.775 1552 L CB -0.639 41.479 42.059 0.098 0.000 0.913 1552 L HN 0.337 nan 8.230 nan 0.000 0.440 1553 D N 0.132 120.546 120.400 0.024 0.000 2.144 1553 D HA -0.096 4.544 4.640 0.000 0.000 0.199 1553 D C 1.725 178.018 176.300 -0.012 0.000 0.984 1553 D CA 1.722 55.724 54.000 0.002 0.000 0.834 1553 D CB 0.173 40.968 40.800 -0.009 0.000 0.955 1553 D HN 0.430 nan 8.370 nan 0.000 0.465 1554 G N -0.741 108.053 108.800 -0.010 0.000 2.370 1554 G HA2 -0.033 3.928 3.960 0.000 0.000 0.174 1554 G HA3 -0.033 3.928 3.960 0.000 0.000 0.174 1554 G C 0.357 175.244 174.900 -0.022 0.000 1.002 1554 G CA 0.126 45.217 45.100 -0.015 0.000 0.730 1554 G HN 0.517 nan 8.290 nan 0.000 0.497 1555 A N 0.842 123.645 122.820 -0.029 0.000 2.566 1555 A HA 0.414 4.735 4.320 0.000 0.000 0.245 1555 A C 1.260 178.824 177.584 -0.034 0.000 1.056 1555 A CA 1.112 53.123 52.037 -0.043 0.000 0.757 1555 A CB 0.158 19.132 19.000 -0.044 0.000 0.979 1555 A HN 0.294 nan 8.150 nan 0.000 0.508 1556 D N 0.888 121.256 120.400 -0.054 0.000 2.183 1556 D HA -0.021 4.619 4.640 0.000 0.000 0.203 1556 D C 0.286 176.560 176.300 -0.043 0.000 0.969 1556 D CA 1.204 55.175 54.000 -0.048 0.000 0.842 1556 D CB 0.142 40.877 40.800 -0.108 0.000 0.957 1556 D HN 0.535 nan 8.370 nan 0.000 0.484 1557 C N 0.076 119.338 119.300 -0.063 0.000 3.080 1557 C HA 0.638 5.099 4.460 0.000 0.000 0.307 1557 C C -0.661 174.296 174.990 -0.054 0.000 1.311 1557 C CA -0.911 58.075 59.018 -0.053 0.000 1.533 1557 C CB 2.152 29.847 27.740 -0.075 0.000 1.970 1557 C HN 0.154 nan 8.230 nan 0.000 0.467 1558 I N 0.026 120.574 120.570 -0.037 0.000 2.828 1558 I HA 0.771 4.941 4.170 0.000 0.000 0.302 1558 I C -1.021 175.082 176.117 -0.025 0.000 1.101 1558 I CA -0.778 60.503 61.300 -0.032 0.000 1.031 1558 I CB 1.899 39.891 38.000 -0.013 0.000 1.231 1558 I HN 0.625 nan 8.210 nan 0.000 0.427 1559 M N 4.188 123.773 119.600 -0.024 0.000 2.644 1559 M HA 0.651 5.131 4.480 0.000 0.000 0.304 1559 M C -1.984 174.323 176.300 0.013 0.000 1.215 1559 M CA -0.722 54.575 55.300 -0.005 0.000 0.871 1559 M CB 2.983 35.568 32.600 -0.026 0.000 1.740 1559 M HN 0.602 nan 8.290 nan 0.000 0.464 1560 L N 1.294 122.536 121.223 0.033 0.000 2.362 1560 L HA 0.539 4.879 4.340 0.000 0.000 0.275 1560 L C -0.346 176.559 176.870 0.058 0.000 0.998 1560 L CA -0.198 54.667 54.840 0.042 0.000 0.820 1560 L CB 2.239 44.324 42.059 0.043 0.000 1.270 1560 L HN 0.784 nan 8.230 nan 0.000 0.415 1561 S N 0.844 116.578 115.700 0.057 0.000 3.152 1561 S HA 0.182 4.652 4.470 0.000 0.000 0.173 1561 S C 1.542 176.179 174.600 0.063 0.000 0.751 1561 S CA 0.409 58.652 58.200 0.072 0.000 0.933 1561 S CB -0.147 63.097 63.200 0.073 0.000 0.877 1561 S HN 0.858 nan 8.310 nan 0.000 0.766 1562 G N 1.392 110.224 108.800 0.054 0.000 2.442 1562 G HA2 -0.226 3.734 3.960 0.000 0.000 0.219 1562 G HA3 -0.226 3.734 3.960 0.000 0.000 0.219 1562 G C 1.022 175.944 174.900 0.037 0.000 1.141 1562 G CA 1.431 46.554 45.100 0.038 0.000 0.763 1562 G HN 0.569 nan 8.290 nan 0.000 0.554 1563 E N -0.001 120.226 120.200 0.045 0.000 2.108 1563 E HA -0.217 4.133 4.350 0.000 0.000 0.203 1563 E C 2.776 179.407 176.600 0.051 0.000 1.022 1563 E CA 2.266 58.698 56.400 0.053 0.000 0.823 1563 E CB -0.366 29.366 29.700 0.055 0.000 0.744 1563 E HN 0.649 nan 8.360 nan 0.000 0.456 1564 T N -2.483 112.101 114.554 0.049 0.000 3.021 1564 T HA 0.287 4.637 4.350 0.000 0.000 0.245 1564 T C 2.074 176.799 174.700 0.042 0.000 1.028 1564 T CA 0.400 62.527 62.100 0.046 0.000 1.139 1564 T CB -0.240 68.658 68.868 0.049 0.000 0.884 1564 T HN 0.161 nan 8.240 nan 0.000 0.457 1565 A N 2.854 125.703 122.820 0.048 0.000 2.070 1565 A HA 0.017 4.337 4.320 0.000 0.000 0.220 1565 A C 2.142 179.742 177.584 0.026 0.000 1.159 1565 A CA 1.822 53.889 52.037 0.050 0.000 0.656 1565 A CB -0.476 18.558 19.000 0.056 0.000 0.800 1565 A HN 0.846 nan 8.150 nan 0.000 0.453 1566 K N -3.224 117.182 120.400 0.009 0.000 2.591 1566 K HA 0.197 4.518 4.320 0.000 0.000 0.207 1566 K C 0.881 177.467 176.600 -0.023 0.000 1.711 1566 K CA 0.257 56.536 56.287 -0.012 0.000 1.059 1566 K CB -0.614 31.868 32.500 -0.030 0.000 1.449 1566 K HN 0.214 nan 8.250 nan 0.000 0.605 1567 G N 1.338 110.133 108.800 -0.009 0.000 2.732 1567 G HA2 -0.019 3.942 3.960 0.000 0.000 0.244 1567 G HA3 -0.019 3.942 3.960 0.000 0.000 0.244 1567 G C -0.212 174.650 174.900 -0.063 0.000 1.226 1567 G CA 0.169 45.263 45.100 -0.011 0.000 0.860 1567 G HN 0.154 nan 8.290 nan 0.000 0.583 1568 D N -1.079 119.248 120.400 -0.122 0.000 2.305 1568 D HA 0.029 4.669 4.640 0.000 0.000 0.206 1568 D C 0.249 176.218 176.300 -0.552 0.000 0.974 1568 D CA 0.985 54.764 54.000 -0.367 0.000 0.871 1568 D CB 0.197 40.679 40.800 -0.529 0.000 0.947 1568 D HN 0.385 nan 8.370 nan 0.000 0.516 1569 Y N -0.036 120.265 120.300 0.001 0.000 2.557 1569 Y HA 0.228 4.779 4.550 0.000 0.000 0.352 1569 Y C -1.603 174.302 175.900 0.009 0.000 0.918 1569 Y CA -2.093 56.010 58.100 0.005 0.000 1.232 1569 Y CB 0.875 39.337 38.460 0.005 0.000 1.235 1569 Y HN -0.070 nan 8.280 nan 0.000 0.596 1570 P HA -0.271 nan 4.420 nan 0.000 0.212 1570 P C 1.706 179.052 177.300 0.078 0.000 1.174 1570 P CA 1.712 64.853 63.100 0.069 0.000 0.934 1570 P CB 0.441 32.164 31.700 0.038 0.000 0.791 1571 L N -0.875 120.392 121.223 0.074 0.000 2.021 1571 L HA -0.246 4.095 4.340 0.000 0.000 0.215 1571 L C 2.674 179.586 176.870 0.071 0.000 1.074 1571 L CA 1.955 56.834 54.840 0.064 0.000 0.760 1571 L CB -1.219 40.877 42.059 0.063 0.000 0.889 1571 L HN -0.028 nan 8.230 nan 0.000 0.433 1572 E N 0.122 120.384 120.200 0.103 0.000 2.058 1572 E HA -0.210 4.140 4.350 0.000 0.000 0.194 1572 E C 2.255 178.888 176.600 0.055 0.000 0.997 1572 E CA 1.461 57.904 56.400 0.071 0.000 0.801 1572 E CB -0.431 29.303 29.700 0.057 0.000 0.746 1572 E HN 0.474 nan 8.360 nan 0.000 0.450 1573 A N 0.530 123.395 122.820 0.074 0.000 1.892 1573 A HA -0.217 4.103 4.320 0.000 0.000 0.218 1573 A C 2.501 180.116 177.584 0.052 0.000 1.188 1573 A CA 1.828 53.900 52.037 0.059 0.000 0.631 1573 A CB -0.954 18.088 19.000 0.069 0.000 0.822 1573 A HN 0.146 nan 8.150 nan 0.000 0.447 1574 V N 0.169 120.114 119.914 0.052 0.000 2.220 1574 V HA -0.339 3.781 4.120 0.000 0.000 0.246 1574 V C 2.602 178.735 176.094 0.065 0.000 1.049 1574 V CA 2.442 64.770 62.300 0.046 0.000 1.003 1574 V CB -0.980 30.860 31.823 0.029 0.000 0.634 1574 V HN 0.579 nan 8.190 nan 0.000 0.444 1575 R N -0.630 119.903 120.500 0.056 0.000 2.117 1575 R HA -0.247 4.094 4.340 0.000 0.000 0.243 1575 R C 2.213 178.582 176.300 0.116 0.000 1.143 1575 R CA 1.982 58.129 56.100 0.079 0.000 0.968 1575 R CB -0.533 29.796 30.300 0.048 0.000 0.863 1575 R HN 0.404 nan 8.270 nan 0.000 0.444 1576 M N 1.042 120.686 119.600 0.072 0.000 2.175 1576 M HA -0.140 4.341 4.480 0.000 0.000 0.264 1576 M C 1.916 178.252 176.300 0.060 0.000 1.063 1576 M CA 1.691 57.024 55.300 0.055 0.000 1.119 1576 M CB -0.113 32.504 32.600 0.029 0.000 1.377 1576 M HN 0.068 nan 8.290 nan 0.000 0.415 1577 Q N -1.470 118.373 119.800 0.071 0.000 2.016 1577 Q HA -0.232 4.108 4.340 0.000 0.000 0.200 1577 Q C 2.130 178.177 176.000 0.078 0.000 0.978 1577 Q CA 1.924 57.763 55.803 0.061 0.000 0.833 1577 Q CB -0.456 28.315 28.738 0.054 0.000 0.895 1577 Q HN 0.665 nan 8.270 nan 0.000 0.427 1578 H N 0.626 119.707 119.070 0.019 0.000 2.267 1578 H HA -0.221 4.336 4.556 0.000 0.000 0.291 1578 H C 1.883 177.232 175.328 0.035 0.000 1.094 1578 H CA 1.980 58.046 56.048 0.029 0.000 1.227 1578 H CB -0.381 29.399 29.762 0.030 0.000 1.351 1578 H HN 0.112 nan 8.280 nan 0.000 0.483 1579 L N 0.270 121.526 121.223 0.055 0.000 1.978 1579 L HA -0.207 4.133 4.340 0.000 0.000 0.218 1579 L C 2.672 179.508 176.870 -0.056 0.000 1.075 1579 L CA 2.033 56.865 54.840 -0.013 0.000 0.767 1579 L CB -0.912 41.177 42.059 0.049 0.000 0.890 1579 L HN 0.473 nan 8.230 nan 0.000 0.434 1580 I N -1.419 119.137 120.570 -0.022 0.000 2.286 1580 I HA -0.306 3.864 4.170 0.000 0.000 0.248 1580 I C 2.507 178.607 176.117 -0.028 0.000 1.115 1580 I CA 1.008 62.297 61.300 -0.019 0.000 1.392 1580 I CB -0.534 37.464 38.000 -0.003 0.000 1.065 1580 I HN 0.324 nan 8.210 nan 0.000 0.418 1581 A N 0.924 123.719 122.820 -0.041 0.000 1.859 1581 A HA -0.253 4.067 4.320 0.000 0.000 0.217 1581 A C 2.436 180.000 177.584 -0.034 0.000 1.198 1581 A CA 1.621 53.639 52.037 -0.032 0.000 0.629 1581 A CB -0.692 18.287 19.000 -0.035 0.000 0.830 1581 A HN 0.261 nan 8.150 nan 0.000 0.446 1582 R N -0.924 119.519 120.500 -0.094 0.000 2.112 1582 R HA -0.217 4.124 4.340 0.000 0.000 0.242 1582 R C 2.182 178.469 176.300 -0.020 0.000 1.137 1582 R CA 2.005 58.059 56.100 -0.078 0.000 0.944 1582 R CB -0.483 29.722 30.300 -0.158 0.000 0.857 1582 R HN 0.548 nan 8.270 nan 0.000 0.435 1583 E N -0.040 120.143 120.200 -0.027 0.000 2.077 1583 E HA -0.110 4.240 4.350 0.000 0.000 0.193 1583 E C 1.717 178.324 176.600 0.012 0.000 0.989 1583 E CA 1.595 57.990 56.400 -0.008 0.000 0.800 1583 E CB -0.208 29.482 29.700 -0.015 0.000 0.746 1583 E HN 0.387 nan 8.360 nan 0.000 0.452 1584 A N 0.520 123.348 122.820 0.014 0.000 1.930 1584 A HA -0.125 4.195 4.320 0.000 0.000 0.215 1584 A C 1.933 179.555 177.584 0.062 0.000 1.176 1584 A CA 1.295 53.351 52.037 0.032 0.000 0.632 1584 A CB -0.426 18.590 19.000 0.026 0.000 0.819 1584 A HN 0.258 nan 8.150 nan 0.000 0.445 1585 E N 0.141 120.383 120.200 0.070 0.000 2.171 1585 E HA -0.173 4.177 4.350 0.000 0.000 0.197 1585 E C 2.121 178.848 176.600 0.212 0.000 0.997 1585 E CA 1.082 57.556 56.400 0.124 0.000 0.810 1585 E CB -0.278 29.493 29.700 0.118 0.000 0.738 1585 E HN 0.638 nan 8.360 nan 0.000 0.467 1586 A N 1.258 124.172 122.820 0.157 0.000 1.930 1586 A HA 0.116 4.437 4.320 0.000 0.000 0.215 1586 A C 2.328 180.030 177.584 0.196 0.000 1.176 1586 A CA 1.086 53.231 52.037 0.179 0.000 0.632 1586 A CB -0.288 18.761 19.000 0.082 0.000 0.819 1586 A HN 0.262 nan 8.150 nan 0.000 0.445 1587 A N -0.555 122.339 122.820 0.123 0.000 2.168 1587 A HA 0.221 4.541 4.320 0.000 0.000 0.215 1587 A C 1.232 178.951 177.584 0.226 0.000 1.152 1587 A CA 0.250 52.342 52.037 0.091 0.000 0.716 1587 A CB -0.594 18.422 19.000 0.026 0.000 0.794 1587 A HN 0.571 nan 8.150 nan 0.000 0.465 1588 M N -0.948 118.757 119.600 0.174 0.000 2.250 1588 M HA 0.081 4.561 4.480 0.000 0.000 0.325 1588 M C -0.049 176.352 176.300 0.168 0.000 1.084 1588 M CA 0.192 55.540 55.300 0.079 0.000 1.161 1588 M CB 0.120 32.540 32.600 -0.299 0.000 1.481 1588 M HN 0.291 nan 8.290 nan 0.000 0.449 1589 F N 3.320 123.169 119.950 -0.169 0.000 2.509 1589 F HA 0.223 4.750 4.527 0.000 0.000 0.344 1589 F C 1.251 176.954 175.800 -0.162 0.000 1.197 1589 F CA -0.699 57.057 58.000 -0.406 0.000 1.294 1589 F CB -0.912 37.724 39.000 -0.607 0.000 1.643 1589 F HN 0.563 nan 8.300 nan 0.000 0.596 1590 H N 1.175 120.315 119.070 0.118 0.000 2.394 1590 H HA -0.202 4.354 4.556 0.000 0.000 0.297 1590 H C 2.308 177.529 175.328 -0.179 0.000 1.113 1590 H CA 1.371 57.402 56.048 -0.027 0.000 1.277 1590 H CB 0.211 29.907 29.762 -0.110 0.000 1.370 1590 H HN 0.419 nan 8.280 nan 0.000 0.506 1591 R N 1.662 122.075 120.500 -0.145 0.000 2.088 1591 R HA -0.150 4.190 4.340 0.000 0.000 0.232 1591 R C 2.283 178.442 176.300 -0.235 0.000 1.136 1591 R CA 1.704 57.658 56.100 -0.244 0.000 0.926 1591 R CB -0.249 29.925 30.300 -0.210 0.000 0.837 1591 R HN 0.187 nan 8.270 nan 0.000 0.429 1592 K N 0.392 120.422 120.400 -0.618 0.000 2.063 1592 K HA -0.158 4.162 4.320 0.000 0.000 0.208 1592 K C 2.104 178.577 176.600 -0.211 0.000 1.048 1592 K CA 1.324 57.301 56.287 -0.516 0.000 0.928 1592 K CB -0.430 31.538 32.500 -0.888 0.000 0.713 1592 K HN 0.105 nan 8.250 nan 0.000 0.442 1593 L N 0.106 121.239 121.223 -0.150 0.000 2.042 1593 L HA -0.159 4.181 4.340 0.000 0.000 0.210 1593 L C 1.945 178.866 176.870 0.085 0.000 1.076 1593 L CA 1.724 56.554 54.840 -0.017 0.000 0.749 1593 L CB -0.589 41.477 42.059 0.010 0.000 0.893 1593 L HN 0.215 nan 8.230 nan 0.000 0.432 1594 F N 0.489 120.467 119.950 0.047 0.000 2.146 1594 F HA -0.161 4.366 4.527 0.000 0.000 0.298 1594 F C 2.281 178.142 175.800 0.102 0.000 1.096 1594 F CA 1.937 60.034 58.000 0.162 0.000 1.275 1594 F CB -0.197 38.975 39.000 0.288 0.000 1.008 1594 F HN 0.236 nan 8.300 nan 0.000 0.480 1595 E N 0.150 120.455 120.200 0.176 0.000 2.051 1595 E HA -0.237 4.113 4.350 0.000 0.000 0.192 1595 E C 2.057 178.631 176.600 -0.044 0.000 0.991 1595 E CA 1.711 58.142 56.400 0.053 0.000 0.799 1595 E CB -0.404 29.321 29.700 0.042 0.000 0.748 1595 E HN 0.585 nan 8.360 nan 0.000 0.449 1596 E N 0.666 120.840 120.200 -0.044 0.000 2.085 1596 E HA -0.200 4.150 4.350 0.000 0.000 0.194 1596 E C 2.079 178.646 176.600 -0.054 0.000 0.994 1596 E CA 0.700 57.069 56.400 -0.051 0.000 0.801 1596 E CB -0.075 29.590 29.700 -0.059 0.000 0.743 1596 E HN 0.084 nan 8.360 nan 0.000 0.453 1597 L N 0.694 121.877 121.223 -0.067 0.000 2.127 1597 L HA -0.169 4.171 4.340 0.000 0.000 0.211 1597 L C 2.249 179.097 176.870 -0.037 0.000 1.089 1597 L CA 1.762 56.560 54.840 -0.070 0.000 0.757 1597 L CB -1.093 40.923 42.059 -0.071 0.000 0.899 1597 L HN 0.089 nan 8.230 nan 0.000 0.434 1598 A N -1.485 121.262 122.820 -0.121 0.000 1.930 1598 A HA -0.123 4.197 4.320 0.000 0.000 0.215 1598 A C 2.447 180.004 177.584 -0.045 0.000 1.176 1598 A CA 0.674 52.644 52.037 -0.113 0.000 0.632 1598 A CB -0.354 18.484 19.000 -0.270 0.000 0.819 1598 A HN 0.257 nan 8.150 nan 0.000 0.445 1599 R N 0.236 120.712 120.500 -0.040 0.000 2.103 1599 R HA -0.169 4.171 4.340 0.000 0.000 0.242 1599 R C 2.684 178.994 176.300 0.017 0.000 1.142 1599 R CA 1.907 58.000 56.100 -0.012 0.000 0.960 1599 R CB -0.327 29.965 30.300 -0.015 0.000 0.858 1599 R HN 0.697 nan 8.270 nan 0.000 0.439 1600 S N -0.517 115.193 115.700 0.017 0.000 2.355 1600 S HA -0.126 4.344 4.470 0.000 0.000 0.222 1600 S C 1.949 176.624 174.600 0.126 0.000 1.031 1600 S CA 1.708 59.940 58.200 0.053 0.000 0.993 1600 S CB -0.193 63.020 63.200 0.021 0.000 0.859 1600 S HN 0.288 nan 8.310 nan 0.000 0.453 1601 S N 1.295 117.038 115.700 0.071 0.000 2.607 1601 S HA 0.015 4.485 4.470 0.000 0.000 0.224 1601 S C 1.852 176.362 174.600 -0.149 0.000 0.969 1601 S CA 0.961 59.166 58.200 0.007 0.000 0.927 1601 S CB -1.015 62.239 63.200 0.090 0.000 0.772 1601 S HN 0.795 nan 8.310 nan 0.000 0.533 1602 S N 2.126 117.818 115.700 -0.013 0.000 2.407 1602 S HA -0.275 4.195 4.470 0.000 0.000 0.235 1602 S C 1.904 176.475 174.600 -0.047 0.000 1.036 1602 S CA 1.560 59.745 58.200 -0.025 0.000 1.013 1602 S CB -1.268 61.945 63.200 0.021 0.000 0.820 1602 S HN 0.961 nan 8.310 nan 0.000 0.476 1603 H N 0.812 119.878 119.070 -0.006 0.000 2.389 1603 H HA 0.196 4.752 4.556 0.000 0.000 0.299 1603 H C 1.130 176.454 175.328 -0.008 0.000 1.081 1603 H CA 1.052 57.096 56.048 -0.008 0.000 1.345 1603 H CB -1.108 28.649 29.762 -0.008 0.000 1.393 1603 H HN 0.422 nan 8.280 nan 0.000 0.520 1604 S N 1.003 116.245 115.700 -0.762 0.000 2.562 1604 S HA 0.128 4.598 4.470 0.000 0.000 0.281 1604 S C 0.964 175.437 174.600 -0.212 0.000 1.333 1604 S CA 0.360 58.289 58.200 -0.452 0.000 1.052 1604 S CB 0.473 63.353 63.200 -0.533 0.000 0.884 1604 S HN 0.729 nan 8.310 nan 0.000 0.506 1605 T N 0.152 114.627 114.554 -0.132 0.000 3.209 1605 T HA 0.186 4.536 4.350 0.000 0.000 0.295 1605 T C -0.053 174.587 174.700 -0.099 0.000 0.977 1605 T CA -0.473 61.569 62.100 -0.097 0.000 0.922 1605 T CB -0.179 68.649 68.868 -0.066 0.000 1.152 1605 T HN 0.568 nan 8.240 nan 0.000 0.527 1606 D N 1.453 121.789 120.400 -0.108 0.000 2.629 1606 D HA -0.026 4.615 4.640 0.000 0.000 0.228 1606 D C 1.091 177.293 176.300 -0.163 0.000 1.127 1606 D CA -0.276 53.648 54.000 -0.128 0.000 0.855 1606 D CB 0.500 41.237 40.800 -0.105 0.000 1.180 1606 D HN -0.043 nan 8.370 nan 0.000 0.484 1607 L N 3.737 124.810 121.223 -0.249 0.000 2.027 1607 L HA -0.087 4.253 4.340 0.000 0.000 0.206 1607 L C 2.267 178.926 176.870 -0.350 0.000 1.074 1607 L CA 1.464 56.117 54.840 -0.311 0.000 0.745 1607 L CB -1.046 40.714 42.059 -0.499 0.000 0.898 1607 L HN 0.656 nan 8.230 nan 0.000 0.433 1608 M N -0.579 118.712 119.600 -0.515 0.000 2.213 1608 M HA -0.182 4.298 4.480 0.000 0.000 0.263 1608 M C 2.101 178.369 176.300 -0.054 0.000 1.062 1608 M CA 1.542 56.693 55.300 -0.248 0.000 1.105 1608 M CB -0.367 32.117 32.600 -0.194 0.000 1.385 1608 M HN 0.260 nan 8.290 nan 0.000 0.417 1609 E N -0.622 119.534 120.200 -0.073 0.000 2.106 1609 E HA -0.139 4.211 4.350 0.000 0.000 0.192 1609 E C 1.919 178.442 176.600 -0.127 0.000 0.984 1609 E CA 1.139 57.525 56.400 -0.023 0.000 0.806 1609 E CB -0.168 29.529 29.700 -0.006 0.000 0.750 1609 E HN 0.657 nan 8.360 nan 0.000 0.458 1610 A N 0.737 123.491 122.820 -0.110 0.000 1.902 1610 A HA -0.204 4.117 4.320 0.000 0.000 0.217 1610 A C 2.064 179.616 177.584 -0.053 0.000 1.181 1610 A CA 1.223 53.202 52.037 -0.097 0.000 0.623 1610 A CB -0.319 18.641 19.000 -0.066 0.000 0.818 1610 A HN 0.168 nan 8.150 nan 0.000 0.443 1611 M N -0.203 119.402 119.600 0.007 0.000 2.084 1611 M HA -0.154 4.326 4.480 0.000 0.000 0.259 1611 M C 2.578 178.894 176.300 0.027 0.000 1.072 1611 M CA 1.703 57.041 55.300 0.063 0.000 1.107 1611 M CB -1.810 30.896 32.600 0.176 0.000 1.299 1611 M HN 0.471 nan 8.290 nan 0.000 0.413 1612 A N 0.602 123.439 122.820 0.029 0.000 1.870 1612 A HA -0.275 4.046 4.320 0.000 0.000 0.219 1612 A C 2.275 179.843 177.584 -0.027 0.000 1.224 1612 A CA 2.680 54.742 52.037 0.042 0.000 0.650 1612 A CB -0.861 18.215 19.000 0.128 0.000 0.836 1612 A HN 0.579 nan 8.150 nan 0.000 0.454 1613 M N -1.033 118.450 119.600 -0.195 0.000 2.065 1613 M HA -0.148 4.332 4.480 0.000 0.000 0.259 1613 M C 2.399 178.723 176.300 0.039 0.000 1.069 1613 M CA 1.766 56.989 55.300 -0.129 0.000 1.110 1613 M CB -1.053 31.354 32.600 -0.321 0.000 1.328 1613 M HN 0.533 nan 8.290 nan 0.000 0.405 1614 G N -0.153 108.638 108.800 -0.015 0.000 2.440 1614 G HA2 -0.192 3.769 3.960 0.000 0.000 0.218 1614 G HA3 -0.192 3.769 3.960 0.000 0.000 0.218 1614 G C 1.598 176.469 174.900 -0.047 0.000 1.154 1614 G CA 1.230 46.320 45.100 -0.017 0.000 0.767 1614 G HN 0.473 nan 8.290 nan 0.000 0.552 1615 S N 0.170 115.848 115.700 -0.036 0.000 2.359 1615 S HA -0.135 4.336 4.470 0.000 0.000 0.224 1615 S C 2.479 177.003 174.600 -0.127 0.000 1.035 1615 S CA 1.320 59.489 58.200 -0.052 0.000 1.018 1615 S CB -0.399 62.793 63.200 -0.013 0.000 0.876 1615 S HN 0.190 nan 8.310 nan 0.000 0.448 1616 V N 1.927 121.753 119.914 -0.147 0.000 2.358 1616 V HA -0.144 3.977 4.120 0.000 0.000 0.246 1616 V C 2.611 178.294 176.094 -0.685 0.000 1.047 1616 V CA 1.969 64.056 62.300 -0.356 0.000 1.035 1616 V CB -0.753 30.991 31.823 -0.133 0.000 0.658 1616 V HN 0.393 nan 8.190 nan 0.000 0.452 1617 E N 1.182 121.088 120.200 -0.491 0.000 2.085 1617 E HA -0.216 4.135 4.350 0.000 0.000 0.194 1617 E C 2.094 178.551 176.600 -0.239 0.000 0.994 1617 E CA 1.932 58.071 56.400 -0.435 0.000 0.801 1617 E CB -0.523 29.053 29.700 -0.206 0.000 0.743 1617 E HN 0.510 nan 8.360 nan 0.000 0.453 1618 A N 0.282 122.995 122.820 -0.178 0.000 1.898 1618 A HA -0.159 4.161 4.320 0.000 0.000 0.216 1618 A C 2.428 179.944 177.584 -0.114 0.000 1.181 1618 A CA 2.302 54.275 52.037 -0.107 0.000 0.620 1618 A CB -1.120 17.831 19.000 -0.080 0.000 0.819 1618 A HN 0.450 nan 8.150 nan 0.000 0.442 1619 S N -0.954 114.634 115.700 -0.186 0.000 2.374 1619 S HA -0.252 4.218 4.470 0.000 0.000 0.227 1619 S C 1.909 176.455 174.600 -0.091 0.000 1.037 1619 S CA 1.766 59.866 58.200 -0.167 0.000 1.024 1619 S CB -0.833 62.235 63.200 -0.220 0.000 0.861 1619 S HN 0.511 nan 8.310 nan 0.000 0.456 1620 Y N 2.216 122.444 120.300 -0.120 0.000 2.114 1620 Y HA 0.091 4.642 4.550 0.000 0.000 0.284 1620 Y C 2.721 178.570 175.900 -0.086 0.000 1.143 1620 Y CA 1.038 59.066 58.100 -0.121 0.000 1.135 1620 Y CB -1.240 37.117 38.460 -0.172 0.000 0.980 1620 Y HN 0.227 nan 8.280 nan 0.000 0.499 1621 K N 0.921 121.372 120.400 0.086 0.000 2.034 1621 K HA -0.208 4.112 4.320 0.000 0.000 0.214 1621 K C 1.907 178.518 176.600 0.018 0.000 1.051 1621 K CA 2.092 58.399 56.287 0.033 0.000 0.931 1621 K CB -0.981 31.521 32.500 0.004 0.000 0.715 1621 K HN 0.514 nan 8.250 nan 0.000 0.446 1622 C N -0.082 119.221 119.300 0.005 0.000 2.688 1622 C HA 0.472 4.932 4.460 0.000 0.000 0.297 1622 C C 0.686 175.676 174.990 0.001 0.000 1.308 1622 C CA -0.749 58.268 59.018 -0.002 0.000 1.726 1622 C CB -1.570 26.161 27.740 -0.016 0.000 1.982 1622 C HN 0.468 nan 8.230 nan 0.000 0.604 1623 L N 0.594 121.826 121.223 0.016 0.000 3.936 1623 L HA -0.268 4.072 4.340 0.000 0.000 0.453 1623 L C 1.322 178.196 176.870 0.007 0.000 1.158 1623 L CA 0.356 55.207 54.840 0.019 0.000 0.831 1623 L CB -2.309 39.760 42.059 0.017 0.000 1.746 1623 L HN 0.731 nan 8.230 nan 0.000 0.912 1624 A N -0.022 122.793 122.820 -0.008 0.000 2.583 1624 A HA 0.352 4.672 4.320 0.000 0.000 0.231 1624 A C 1.452 179.041 177.584 0.008 0.000 1.065 1624 A CA 0.829 52.856 52.037 -0.016 0.000 0.760 1624 A CB 0.373 19.351 19.000 -0.036 0.000 1.001 1624 A HN 0.667 nan 8.150 nan 0.000 0.509 1625 A N 0.943 123.783 122.820 0.033 0.000 2.178 1625 A HA 0.541 4.861 4.320 0.000 0.000 0.211 1625 A C 1.008 178.677 177.584 0.140 0.000 1.157 1625 A CA 1.590 53.697 52.037 0.116 0.000 0.780 1625 A CB -0.527 18.615 19.000 0.237 0.000 0.828 1625 A HN 2.546 nan 8.150 nan 0.000 0.476 1626 A N -1.912 120.964 122.820 0.094 0.000 2.490 1626 A HA 0.580 4.900 4.320 0.000 0.000 0.292 1626 A C -2.122 175.488 177.584 0.043 0.000 1.047 1626 A CA -0.618 51.470 52.037 0.086 0.000 0.632 1626 A CB 0.072 19.247 19.000 0.291 0.000 1.323 1626 A HN 0.415 nan 8.150 nan 0.000 0.448 1627 L N 0.531 121.781 121.223 0.046 0.000 2.409 1627 L HA 0.639 4.979 4.340 0.000 0.000 0.272 1627 L C -0.740 176.165 176.870 0.057 0.000 0.980 1627 L CA 0.016 54.874 54.840 0.030 0.000 0.826 1627 L CB 1.797 43.867 42.059 0.019 0.000 1.268 1627 L HN 0.594 nan 8.230 nan 0.000 0.407 1628 I N 3.587 124.183 120.570 0.042 0.000 2.336 1628 I HA 0.506 4.676 4.170 0.000 0.000 0.292 1628 I C -0.610 175.524 176.117 0.029 0.000 0.991 1628 I CA -0.780 60.551 61.300 0.052 0.000 1.227 1628 I CB 1.631 39.655 38.000 0.041 0.000 1.366 1628 I HN 0.231 nan 8.210 nan 0.000 0.466 1629 V N 7.271 127.206 119.914 0.034 0.000 2.604 1629 V HA 0.403 4.524 4.120 0.000 0.000 0.305 1629 V C -0.409 175.686 176.094 0.001 0.000 1.043 1629 V CA -0.713 61.597 62.300 0.016 0.000 0.888 1629 V CB 2.122 33.955 31.823 0.018 0.000 0.995 1629 V HN 0.360 nan 8.190 nan 0.000 0.429 1630 L N 3.970 125.183 121.223 -0.016 0.000 2.276 1630 L HA 0.758 5.098 4.340 0.000 0.000 0.286 1630 L C 0.131 176.992 176.870 -0.015 0.000 1.024 1630 L CA 0.661 55.482 54.840 -0.030 0.000 0.826 1630 L CB 1.442 43.455 42.059 -0.077 0.000 1.211 1630 L HN 0.873 nan 8.230 nan 0.000 0.422 1631 T N 1.112 115.659 114.554 -0.012 0.000 2.868 1631 T HA 0.500 4.850 4.350 0.000 0.000 0.306 1631 T C 0.129 174.830 174.700 0.002 0.000 1.224 1631 T CA -0.347 61.746 62.100 -0.011 0.000 1.012 1631 T CB 1.396 70.227 68.868 -0.061 0.000 1.221 1631 T HN 0.608 nan 8.240 nan 0.000 0.499 1632 E N 0.724 120.932 120.200 0.014 0.000 2.414 1632 E HA 0.082 4.432 4.350 0.000 0.000 0.208 1632 E C 1.946 178.559 176.600 0.022 0.000 0.820 1632 E CA 0.788 57.206 56.400 0.031 0.000 1.143 1632 E CB 0.102 29.836 29.700 0.056 0.000 1.150 1632 E HN 0.591 nan 8.360 nan 0.000 0.540 1633 S N -0.123 115.579 115.700 0.004 0.000 2.388 1633 S HA 0.094 4.564 4.470 0.000 0.000 0.223 1633 S C 1.724 176.289 174.600 -0.057 0.000 1.034 1633 S CA 1.781 59.981 58.200 0.000 0.000 0.963 1633 S CB 0.242 63.447 63.200 0.008 0.000 0.827 1633 S HN 0.310 nan 8.310 nan 0.000 0.481 1634 G N 1.177 109.874 108.800 -0.172 0.000 2.218 1634 G HA2 -0.234 3.726 3.960 0.000 0.000 0.216 1634 G HA3 -0.234 3.726 3.960 0.000 0.000 0.216 1634 G C 0.966 175.280 174.900 -0.978 0.000 0.994 1634 G CA 0.231 45.082 45.100 -0.416 0.000 0.637 1634 G HN 0.529 nan 8.290 nan 0.000 0.505 1635 R N 1.306 121.442 120.500 -0.607 0.000 2.091 1635 R HA -0.000 4.340 4.340 0.000 0.000 0.238 1635 R C 2.708 178.841 176.300 -0.278 0.000 1.136 1635 R CA 1.890 57.717 56.100 -0.454 0.000 0.959 1635 R CB -0.549 29.695 30.300 -0.094 0.000 0.856 1635 R HN 0.373 nan 8.270 nan 0.000 0.437 1636 S N 1.038 116.646 115.700 -0.154 0.000 2.370 1636 S HA -0.197 4.273 4.470 0.000 0.000 0.226 1636 S C 2.196 176.766 174.600 -0.050 0.000 1.033 1636 S CA 1.346 59.533 58.200 -0.023 0.000 1.011 1636 S CB -0.333 62.895 63.200 0.047 0.000 0.852 1636 S HN 0.530 nan 8.310 nan 0.000 0.457 1637 A N 2.228 124.953 122.820 -0.158 0.000 1.877 1637 A HA -0.173 4.147 4.320 0.000 0.000 0.216 1637 A C 1.864 179.422 177.584 -0.045 0.000 1.186 1637 A CA 1.650 53.625 52.037 -0.104 0.000 0.620 1637 A CB -1.017 17.909 19.000 -0.124 0.000 0.822 1637 A HN 0.546 nan 8.150 nan 0.000 0.443 1638 H N -0.871 118.086 119.070 -0.189 0.000 2.387 1638 H HA -0.142 4.414 4.556 0.000 0.000 0.299 1638 H C 2.085 177.408 175.328 -0.007 0.000 1.099 1638 H CA 1.842 57.751 56.048 -0.232 0.000 1.315 1638 H CB -0.603 28.911 29.762 -0.414 0.000 1.380 1638 H HN 0.552 nan 8.280 nan 0.000 0.513 1639 Q N 0.655 120.530 119.800 0.125 0.000 2.170 1639 Q HA -0.069 4.272 4.340 0.000 0.000 0.203 1639 Q C 2.376 178.526 176.000 0.250 0.000 0.976 1639 Q CA 0.978 56.884 55.803 0.171 0.000 0.858 1639 Q CB -0.135 28.689 28.738 0.143 0.000 0.907 1639 Q HN 0.279 nan 8.270 nan 0.000 0.433 1640 V N -0.109 119.918 119.914 0.188 0.000 2.346 1640 V HA -0.145 3.975 4.120 0.000 0.000 0.244 1640 V C 2.181 178.407 176.094 0.219 0.000 1.037 1640 V CA 1.395 63.822 62.300 0.211 0.000 1.029 1640 V CB -1.205 30.697 31.823 0.132 0.000 0.663 1640 V HN 0.439 nan 8.190 nan 0.000 0.454 1641 A N 1.641 124.570 122.820 0.182 0.000 1.903 1641 A HA -0.315 4.006 4.320 0.000 0.000 0.219 1641 A C 2.372 180.054 177.584 0.162 0.000 1.191 1641 A CA 2.553 54.702 52.037 0.187 0.000 0.638 1641 A CB -0.707 18.426 19.000 0.221 0.000 0.823 1641 A HN 0.674 nan 8.150 nan 0.000 0.451 1642 R N -1.824 118.743 120.500 0.113 0.000 2.159 1642 R HA -0.164 4.177 4.340 0.000 0.000 0.237 1642 R C 1.163 177.357 176.300 -0.177 0.000 1.131 1642 R CA 1.911 57.975 56.100 -0.060 0.000 0.982 1642 R CB -0.604 29.601 30.300 -0.159 0.000 0.868 1642 R HN 0.537 nan 8.270 nan 0.000 0.453 1643 Y N 1.393 121.768 120.300 0.125 0.000 2.471 1643 Y HA 0.236 4.787 4.550 0.000 0.000 0.286 1643 Y C -0.017 176.048 175.900 0.276 0.000 1.188 1643 Y CA -0.327 57.867 58.100 0.158 0.000 1.286 1643 Y CB 0.263 38.816 38.460 0.155 0.000 1.072 1643 Y HN -0.079 nan 8.280 nan 0.000 0.517 1644 R N -0.215 120.465 120.500 0.300 0.000 2.865 1644 R HA -0.156 4.184 4.340 0.000 0.000 0.269 1644 R C -3.102 173.466 176.300 0.447 0.000 0.915 1644 R CA 0.068 56.364 56.100 0.326 0.000 0.715 1644 R CB -1.938 28.528 30.300 0.277 0.000 1.735 1644 R HN 0.256 nan 8.270 nan 0.000 0.506 1645 P HA 0.207 nan 4.420 nan 0.000 0.279 1645 P C 0.582 178.052 177.300 0.282 0.000 1.252 1645 P CA -0.590 62.618 63.100 0.180 0.000 0.811 1645 P CB 0.827 32.534 31.700 0.011 0.000 1.035 1646 R N 1.396 122.008 120.500 0.187 0.000 2.092 1646 R HA 0.024 4.364 4.340 0.000 0.000 0.231 1646 R C 0.897 177.211 176.300 0.024 0.000 1.119 1646 R CA 0.939 57.000 56.100 -0.066 0.000 0.970 1646 R CB -0.460 29.658 30.300 -0.303 0.000 0.864 1646 R HN 0.638 nan 8.270 nan 0.000 0.440 1647 A N 1.408 124.233 122.820 0.007 0.000 2.332 1647 A HA 0.391 4.711 4.320 0.000 0.000 0.258 1647 A C -2.298 175.271 177.584 -0.025 0.000 1.087 1647 A CA -1.484 50.533 52.037 -0.034 0.000 0.802 1647 A CB 0.105 19.084 19.000 -0.035 0.000 1.042 1647 A HN 0.114 nan 8.150 nan 0.000 0.489 1648 P HA 0.302 nan 4.420 nan 0.000 0.271 1648 P C -0.909 176.380 177.300 -0.017 0.000 1.218 1648 P CA 0.342 63.328 63.100 -0.189 0.000 0.780 1648 P CB 0.393 31.621 31.700 -0.788 0.000 0.901 1649 I N 3.597 124.263 120.570 0.160 0.000 2.328 1649 I HA 0.210 4.381 4.170 0.000 0.000 0.287 1649 I C 0.018 176.270 176.117 0.225 0.000 1.012 1649 I CA -0.668 60.732 61.300 0.168 0.000 1.195 1649 I CB 0.739 38.838 38.000 0.166 0.000 1.350 1649 I HN 0.051 nan 8.210 nan 0.000 0.464 1650 I N 6.289 126.956 120.570 0.161 0.000 2.281 1650 I HA 0.255 4.425 4.170 0.000 0.000 0.293 1650 I C 0.771 176.967 176.117 0.132 0.000 1.085 1650 I CA -0.621 60.790 61.300 0.185 0.000 1.257 1650 I CB 0.517 38.628 38.000 0.184 0.000 1.430 1650 I HN 0.532 nan 8.210 nan 0.000 0.489 1651 A N 7.517 130.414 122.820 0.128 0.000 2.478 1651 A HA 0.555 4.876 4.320 0.000 0.000 0.327 1651 A C -0.051 177.562 177.584 0.048 0.000 1.431 1651 A CA -0.445 51.630 52.037 0.064 0.000 1.014 1651 A CB 0.020 19.044 19.000 0.039 0.000 1.143 1651 A HN 0.384 nan 8.150 nan 0.000 0.532 1652 V N 2.612 122.547 119.914 0.035 0.000 2.461 1652 V HA 0.628 4.748 4.120 0.000 0.000 0.275 1652 V C 0.671 176.771 176.094 0.010 0.000 1.047 1652 V CA 0.136 62.450 62.300 0.025 0.000 0.955 1652 V CB 1.041 32.874 31.823 0.017 0.000 0.988 1652 V HN 0.911 nan 8.190 nan 0.000 0.471 1653 T N 4.125 118.688 114.554 0.016 0.000 2.821 1653 T HA 0.430 4.780 4.350 0.000 0.000 0.306 1653 T C 0.223 174.945 174.700 0.037 0.000 1.313 1653 T CA -0.660 61.453 62.100 0.022 0.000 1.012 1653 T CB 1.754 70.636 68.868 0.023 0.000 1.298 1653 T HN 0.628 nan 8.240 nan 0.000 0.502 1654 R N 1.373 121.909 120.500 0.060 0.000 2.432 1654 R HA 0.262 4.603 4.340 0.000 0.000 0.260 1654 R C 0.121 176.520 176.300 0.165 0.000 0.935 1654 R CA -0.244 55.914 56.100 0.097 0.000 1.080 1654 R CB 0.221 30.571 30.300 0.084 0.000 1.155 1654 R HN 0.315 nan 8.270 nan 0.000 0.531 1655 N N 0.855 119.639 118.700 0.140 0.000 2.527 1655 N HA 0.048 4.788 4.740 0.000 0.000 0.236 1655 N C 0.588 176.224 175.510 0.209 0.000 0.999 1655 N CA 0.014 53.167 53.050 0.172 0.000 0.935 1655 N CB 0.472 39.023 38.487 0.106 0.000 1.132 1655 N HN 0.226 nan 8.380 nan 0.000 0.511 1656 H N 1.771 120.880 119.070 0.065 0.000 2.319 1656 H HA -0.197 4.359 4.556 0.000 0.000 0.297 1656 H C 1.061 176.440 175.328 0.085 0.000 1.097 1656 H CA 1.577 57.677 56.048 0.087 0.000 1.285 1656 H CB 0.423 30.236 29.762 0.085 0.000 1.368 1656 H HN 0.624 nan 8.280 nan 0.000 0.495 1657 Q N 0.323 120.252 119.800 0.215 0.000 2.170 1657 Q HA -0.120 4.220 4.340 0.000 0.000 0.203 1657 Q C 2.084 178.158 176.000 0.123 0.000 0.976 1657 Q CA 1.745 57.634 55.803 0.143 0.000 0.858 1657 Q CB 0.200 29.000 28.738 0.104 0.000 0.907 1657 Q HN 0.322 nan 8.270 nan 0.000 0.433 1658 T N -0.130 114.493 114.554 0.115 0.000 2.777 1658 T HA -0.096 4.255 4.350 0.000 0.000 0.266 1658 T C 1.710 176.450 174.700 0.068 0.000 1.040 1658 T CA 1.114 63.270 62.100 0.093 0.000 1.141 1658 T CB -0.339 68.570 68.868 0.069 0.000 0.868 1658 T HN 0.454 nan 8.240 nan 0.000 0.444 1659 A N 1.651 124.504 122.820 0.054 0.000 1.933 1659 A HA -0.103 4.218 4.320 0.000 0.000 0.218 1659 A C 2.371 179.949 177.584 -0.010 0.000 1.175 1659 A CA 1.356 53.397 52.037 0.005 0.000 0.628 1659 A CB -0.423 18.579 19.000 0.004 0.000 0.814 1659 A HN 0.400 nan 8.150 nan 0.000 0.444 1660 R N -0.633 119.917 120.500 0.084 0.000 2.062 1660 R HA -0.092 4.248 4.340 0.000 0.000 0.229 1660 R C 2.379 178.787 176.300 0.180 0.000 1.128 1660 R CA 1.558 57.758 56.100 0.167 0.000 0.960 1660 R CB -0.328 30.067 30.300 0.158 0.000 0.855 1660 R HN 0.660 nan 8.270 nan 0.000 0.432 1661 Q N 0.093 119.974 119.800 0.134 0.000 2.291 1661 Q HA -0.043 4.297 4.340 0.000 0.000 0.205 1661 Q C 2.024 178.145 176.000 0.201 0.000 0.970 1661 Q CA 1.024 56.928 55.803 0.168 0.000 0.876 1661 Q CB -0.024 28.819 28.738 0.176 0.000 0.935 1661 Q HN 0.342 nan 8.270 nan 0.000 0.455 1662 A N 0.684 123.550 122.820 0.076 0.000 2.024 1662 A HA -0.226 4.095 4.320 0.000 0.000 0.220 1662 A C 1.307 178.915 177.584 0.040 0.000 1.164 1662 A CA 1.482 53.554 52.037 0.058 0.000 0.643 1662 A CB -0.718 18.221 19.000 -0.102 0.000 0.806 1662 A HN 0.442 nan 8.150 nan 0.000 0.451 1663 H N -1.405 117.737 119.070 0.119 0.000 2.489 1663 H HA -0.064 4.492 4.556 0.000 0.000 0.295 1663 H C 1.678 177.021 175.328 0.024 0.000 1.082 1663 H CA 0.866 56.935 56.048 0.034 0.000 1.295 1663 H CB 0.014 29.775 29.762 -0.001 0.000 1.380 1663 H HN 0.337 nan 8.280 nan 0.000 0.548 1664 L N -0.014 121.281 121.223 0.120 0.000 2.093 1664 L HA -0.123 4.217 4.340 0.000 0.000 0.208 1664 L C -0.053 176.622 176.870 -0.326 0.000 1.085 1664 L CA 1.275 56.026 54.840 -0.149 0.000 0.755 1664 L CB -0.520 41.338 42.059 -0.336 0.000 0.904 1664 L HN 0.209 nan 8.230 nan 0.000 0.435 1665 Y N -0.806 119.457 120.300 -0.061 0.000 2.323 1665 Y HA 0.468 5.018 4.550 0.000 0.000 0.331 1665 Y C 0.855 176.752 175.900 -0.005 0.000 1.092 1665 Y CA -1.357 56.715 58.100 -0.046 0.000 1.150 1665 Y CB 0.295 38.725 38.460 -0.050 0.000 1.200 1665 Y HN -0.109 nan 8.280 nan 0.000 0.472 1666 R N 1.064 121.647 120.500 0.138 0.000 2.585 1666 R HA 0.314 4.654 4.340 0.000 0.000 0.275 1666 R C 1.215 177.605 176.300 0.149 0.000 1.018 1666 R CA 1.344 57.510 56.100 0.111 0.000 1.072 1666 R CB -0.232 30.125 30.300 0.094 0.000 0.953 1666 R HN 0.996 nan 8.270 nan 0.000 0.419 1667 G N 3.671 112.552 108.800 0.135 0.000 2.175 1667 G HA2 -0.313 3.647 3.960 0.000 0.000 0.265 1667 G HA3 -0.313 3.647 3.960 0.000 0.000 0.265 1667 G C 0.132 175.195 174.900 0.272 0.000 0.979 1667 G CA 0.513 45.751 45.100 0.230 0.000 0.663 1667 G HN 0.555 nan 8.290 nan 0.000 0.533 1668 I N 0.692 121.341 120.570 0.131 0.000 2.325 1668 I HA 0.435 4.605 4.170 0.000 0.000 0.291 1668 I C -0.178 175.952 176.117 0.021 0.000 1.019 1668 I CA -0.754 60.634 61.300 0.146 0.000 1.302 1668 I CB 0.615 38.676 38.000 0.102 0.000 1.401 1668 I HN -0.070 nan 8.210 nan 0.000 0.485 1669 F N 8.215 128.198 119.950 0.055 0.000 2.334 1669 F HA 0.381 4.908 4.527 0.000 0.000 0.367 1669 F C -2.075 173.747 175.800 0.038 0.000 1.115 1669 F CA -3.000 55.049 58.000 0.081 0.000 1.116 1669 F CB 0.557 39.660 39.000 0.172 0.000 1.230 1669 F HN 0.236 nan 8.300 nan 0.000 0.484 1670 P HA 0.240 nan 4.420 nan 0.000 0.287 1670 P C -0.766 176.577 177.300 0.072 0.000 1.281 1670 P CA -0.167 62.943 63.100 0.016 0.000 0.781 1670 P CB 1.785 33.414 31.700 -0.118 0.000 0.903 1671 V N 4.855 124.812 119.914 0.072 0.000 2.483 1671 V HA 0.224 4.344 4.120 0.000 0.000 0.297 1671 V C 0.135 176.257 176.094 0.047 0.000 1.027 1671 V CA -0.811 61.535 62.300 0.077 0.000 0.855 1671 V CB 2.393 34.269 31.823 0.087 0.000 0.995 1671 V HN 0.226 nan 8.190 nan 0.000 0.424 1672 V N 4.334 124.276 119.914 0.047 0.000 2.364 1672 V HA 0.215 4.335 4.120 0.000 0.000 0.272 1672 V C 0.331 176.428 176.094 0.005 0.000 1.036 1672 V CA -0.402 61.890 62.300 -0.012 0.000 0.880 1672 V CB 1.354 33.094 31.823 -0.138 0.000 0.991 1672 V HN 1.045 nan 8.190 nan 0.000 0.460 1673 C N 6.413 125.722 119.300 0.014 0.000 2.464 1673 C HA 0.342 4.802 4.460 0.000 0.000 0.370 1673 C C 1.437 176.449 174.990 0.035 0.000 1.267 1673 C CA -0.385 58.645 59.018 0.020 0.000 1.781 1673 C CB -0.632 27.116 27.740 0.014 0.000 2.431 1673 C HN 1.020 nan 8.230 nan 0.000 0.556 1674 K N 2.164 122.581 120.400 0.029 0.000 2.367 1674 K HA 0.122 4.442 4.320 0.000 0.000 0.194 1674 K C 0.103 176.722 176.600 0.032 0.000 1.027 1674 K CA 0.226 56.539 56.287 0.043 0.000 1.075 1674 K CB 0.155 32.668 32.500 0.021 0.000 0.845 1674 K HN 0.786 nan 8.250 nan 0.000 0.529 1675 D N 1.837 122.250 120.400 0.021 0.000 2.339 1675 D HA 0.091 4.732 4.640 0.000 0.000 0.245 1675 D C -2.296 174.015 176.300 0.018 0.000 1.115 1675 D CA -1.765 52.243 54.000 0.014 0.000 0.917 1675 D CB 0.041 40.844 40.800 0.005 0.000 1.192 1675 D HN -0.107 nan 8.370 nan 0.000 0.428 1676 P HA -0.042 nan 4.420 nan 0.000 0.271 1676 P C -0.306 177.007 177.300 0.021 0.000 1.233 1676 P CA -0.362 62.749 63.100 0.018 0.000 0.795 1676 P CB 0.336 32.044 31.700 0.013 0.000 0.936 1677 V N 1.412 121.344 119.914 0.029 0.000 2.732 1677 V HA 0.083 4.203 4.120 0.000 0.000 0.297 1677 V C 0.726 176.841 176.094 0.034 0.000 1.060 1677 V CA -0.129 62.195 62.300 0.040 0.000 1.038 1677 V CB 0.593 32.451 31.823 0.059 0.000 1.003 1677 V HN 0.438 nan 8.190 nan 0.000 0.481 1678 Q N 2.076 121.898 119.800 0.037 0.000 2.293 1678 Q HA 0.167 4.507 4.340 0.000 0.000 0.251 1678 Q C 1.135 177.168 176.000 0.054 0.000 0.930 1678 Q CA -0.063 55.759 55.803 0.031 0.000 0.893 1678 Q CB 1.318 30.061 28.738 0.009 0.000 1.215 1678 Q HN 0.917 nan 8.270 nan 0.000 0.425 1679 E N 1.156 121.378 120.200 0.038 0.000 2.106 1679 E HA -0.024 4.326 4.350 0.000 0.000 0.192 1679 E C -0.194 176.440 176.600 0.058 0.000 0.984 1679 E CA 1.196 57.620 56.400 0.040 0.000 0.806 1679 E CB 0.047 29.761 29.700 0.022 0.000 0.750 1679 E HN 0.405 nan 8.360 nan 0.000 0.458 1680 A N 1.467 124.319 122.820 0.053 0.000 2.294 1680 A HA 0.122 4.442 4.320 0.000 0.000 0.316 1680 A C 0.335 177.983 177.584 0.107 0.000 1.359 1680 A CA -0.625 51.452 52.037 0.067 0.000 0.956 1680 A CB -0.613 18.403 19.000 0.026 0.000 1.155 1680 A HN 0.583 nan 8.150 nan 0.000 0.544 1681 W N 3.083 124.334 121.300 -0.082 0.000 2.269 1681 W HA -0.438 4.223 4.660 0.000 0.000 0.336 1681 W C 1.833 178.283 176.519 -0.115 0.000 1.333 1681 W CA 2.735 60.019 57.345 -0.102 0.000 1.299 1681 W CB -0.240 29.138 29.460 -0.137 0.000 1.126 1681 W HN 0.770 nan 8.180 nan 0.000 0.474 1682 A N 0.520 123.307 122.820 -0.056 0.000 1.884 1682 A HA -0.317 4.003 4.320 0.000 0.000 0.219 1682 A C 1.756 179.228 177.584 -0.187 0.000 1.197 1682 A CA 2.496 54.419 52.037 -0.189 0.000 0.637 1682 A CB -1.235 17.697 19.000 -0.113 0.000 0.827 1682 A HN 0.603 nan 8.150 nan 0.000 0.450 1683 E N -0.936 119.199 120.200 -0.108 0.000 2.051 1683 E HA -0.217 4.133 4.350 0.000 0.000 0.192 1683 E C 1.829 178.356 176.600 -0.123 0.000 0.991 1683 E CA 1.178 57.523 56.400 -0.093 0.000 0.799 1683 E CB -0.281 29.390 29.700 -0.048 0.000 0.748 1683 E HN 0.709 nan 8.360 nan 0.000 0.449 1684 D N 0.398 120.720 120.400 -0.129 0.000 2.182 1684 D HA -0.137 4.504 4.640 0.000 0.000 0.201 1684 D C 1.865 178.002 176.300 -0.273 0.000 0.986 1684 D CA 0.662 54.570 54.000 -0.153 0.000 0.847 1684 D CB 0.174 40.920 40.800 -0.091 0.000 0.942 1684 D HN -0.055 nan 8.370 nan 0.000 0.467 1685 V N -0.132 119.524 119.914 -0.430 0.000 2.346 1685 V HA -0.156 3.965 4.120 0.000 0.000 0.244 1685 V C 1.889 177.813 176.094 -0.283 0.000 1.037 1685 V CA 1.867 63.872 62.300 -0.493 0.000 1.029 1685 V CB -0.455 30.956 31.823 -0.687 0.000 0.663 1685 V HN 0.176 nan 8.190 nan 0.000 0.454 1686 D N -0.190 120.071 120.400 -0.231 0.000 2.106 1686 D HA -0.224 4.416 4.640 0.000 0.000 0.191 1686 D C 2.040 178.272 176.300 -0.113 0.000 0.997 1686 D CA 1.877 55.786 54.000 -0.151 0.000 0.834 1686 D CB -0.200 40.528 40.800 -0.120 0.000 0.956 1686 D HN 0.322 nan 8.370 nan 0.000 0.448 1687 L N 1.008 122.167 121.223 -0.106 0.000 1.978 1687 L HA -0.261 4.079 4.340 0.000 0.000 0.218 1687 L C 2.007 178.839 176.870 -0.065 0.000 1.075 1687 L CA 1.950 56.747 54.840 -0.073 0.000 0.767 1687 L CB -0.598 41.421 42.059 -0.067 0.000 0.890 1687 L HN -0.041 nan 8.230 nan 0.000 0.434 1688 R N -0.609 119.838 120.500 -0.089 0.000 2.117 1688 R HA -0.144 4.196 4.340 0.000 0.000 0.243 1688 R C 2.144 178.413 176.300 -0.053 0.000 1.143 1688 R CA 1.667 57.724 56.100 -0.072 0.000 0.968 1688 R CB -0.828 29.414 30.300 -0.097 0.000 0.863 1688 R HN 0.429 nan 8.270 nan 0.000 0.444 1689 V N 1.844 121.713 119.914 -0.075 0.000 2.515 1689 V HA -0.226 3.895 4.120 0.000 0.000 0.250 1689 V C 1.711 177.791 176.094 -0.023 0.000 1.058 1689 V CA 1.631 63.899 62.300 -0.053 0.000 1.064 1689 V CB -0.518 31.258 31.823 -0.078 0.000 0.675 1689 V HN 0.359 nan 8.190 nan 0.000 0.461 1690 N N 0.248 118.930 118.700 -0.030 0.000 2.142 1690 N HA -0.135 4.606 4.740 0.000 0.000 0.186 1690 N C 1.763 177.283 175.510 0.017 0.000 1.023 1690 N CA 1.300 54.344 53.050 -0.010 0.000 0.852 1690 N CB -0.520 37.954 38.487 -0.021 0.000 0.998 1690 N HN 0.387 nan 8.380 nan 0.000 0.424 1691 L N 1.434 122.663 121.223 0.010 0.000 1.997 1691 L HA -0.221 4.119 4.340 0.000 0.000 0.216 1691 L C 2.186 179.089 176.870 0.056 0.000 1.074 1691 L CA 2.066 56.921 54.840 0.026 0.000 0.763 1691 L CB -0.998 41.071 42.059 0.017 0.000 0.890 1691 L HN 0.175 nan 8.230 nan 0.000 0.434 1692 A N -1.100 121.762 122.820 0.069 0.000 1.873 1692 A HA -0.322 3.998 4.320 0.000 0.000 0.218 1692 A C 2.330 180.040 177.584 0.211 0.000 1.193 1692 A CA 2.559 54.672 52.037 0.126 0.000 0.629 1692 A CB -0.789 18.281 19.000 0.117 0.000 0.826 1692 A HN 0.545 nan 8.150 nan 0.000 0.447 1693 M N 0.374 120.086 119.600 0.186 0.000 2.089 1693 M HA -0.215 4.265 4.480 0.000 0.000 0.257 1693 M C 1.769 178.228 176.300 0.265 0.000 1.071 1693 M CA 2.007 57.460 55.300 0.256 0.000 1.096 1693 M CB -0.589 32.062 32.600 0.085 0.000 1.330 1693 M HN 0.522 nan 8.290 nan 0.000 0.403 1694 N N -0.623 118.152 118.700 0.126 0.000 2.106 1694 N HA -0.114 4.626 4.740 0.000 0.000 0.188 1694 N C 1.760 177.284 175.510 0.023 0.000 1.029 1694 N CA 1.715 54.806 53.050 0.070 0.000 0.848 1694 N CB -0.697 37.812 38.487 0.038 0.000 1.007 1694 N HN 0.271 nan 8.380 nan 0.000 0.423 1695 V N 1.201 121.126 119.914 0.018 0.000 2.358 1695 V HA -0.118 4.002 4.120 0.000 0.000 0.246 1695 V C 2.521 178.488 176.094 -0.212 0.000 1.047 1695 V CA 1.961 64.225 62.300 -0.059 0.000 1.035 1695 V CB -1.244 30.575 31.823 -0.006 0.000 0.658 1695 V HN 0.345 nan 8.190 nan 0.000 0.452 1696 G N -0.358 108.337 108.800 -0.176 0.000 2.422 1696 G HA2 -0.253 3.707 3.960 0.000 0.000 0.218 1696 G HA3 -0.253 3.707 3.960 0.000 0.000 0.218 1696 G C 1.688 176.092 174.900 -0.828 0.000 1.146 1696 G CA 0.907 45.596 45.100 -0.685 0.000 0.769 1696 G HN 0.463 nan 8.290 nan 0.000 0.547 1697 K N 0.395 120.623 120.400 -0.287 0.000 2.001 1697 K HA 0.099 4.419 4.320 0.000 0.000 0.208 1697 K C 2.958 179.445 176.600 -0.187 0.000 1.048 1697 K CA 1.033 57.257 56.287 -0.106 0.000 0.932 1697 K CB -0.241 32.309 32.500 0.083 0.000 0.715 1697 K HN 0.240 nan 8.250 nan 0.000 0.437 1698 A N 1.238 123.948 122.820 -0.183 0.000 1.972 1698 A HA -0.148 4.173 4.320 0.000 0.000 0.219 1698 A C 1.947 179.365 177.584 -0.276 0.000 1.169 1698 A CA 1.288 53.221 52.037 -0.174 0.000 0.635 1698 A CB -0.310 18.622 19.000 -0.114 0.000 0.810 1698 A HN 0.196 nan 8.150 nan 0.000 0.446 1699 R N -1.671 118.535 120.500 -0.490 0.000 2.236 1699 R HA 0.139 4.479 4.340 0.000 0.000 0.208 1699 R C 1.133 177.025 176.300 -0.681 0.000 1.036 1699 R CA 0.579 56.229 56.100 -0.750 0.000 1.001 1699 R CB -0.107 29.293 30.300 -1.499 0.000 0.896 1699 R HN 0.709 nan 8.270 nan 0.000 0.464 1700 G N 0.380 108.874 108.800 -0.509 0.000 2.204 1700 G HA2 -0.222 3.738 3.960 0.000 0.000 0.244 1700 G HA3 -0.222 3.738 3.960 0.000 0.000 0.244 1700 G C 0.280 175.109 174.900 -0.117 0.000 1.062 1700 G CA -0.262 44.692 45.100 -0.243 0.000 0.798 1700 G HN 0.208 nan 8.290 nan 0.000 0.496 1701 F N -0.394 119.286 119.950 -0.449 0.000 2.335 1701 F HA 0.379 4.907 4.527 0.000 0.000 0.296 1701 F C 1.388 176.979 175.800 -0.347 0.000 1.091 1701 F CA 0.510 58.194 58.000 -0.526 0.000 1.399 1701 F CB -0.339 38.147 39.000 -0.857 0.000 1.067 1701 F HN 0.398 nan 8.300 nan 0.000 0.520 1702 F N -1.295 118.744 119.950 0.149 0.000 2.741 1702 F HA 0.545 5.072 4.527 0.000 0.000 0.313 1702 F C -0.532 175.288 175.800 0.034 0.000 1.153 1702 F CA -2.361 55.681 58.000 0.070 0.000 0.931 1702 F CB 0.830 39.862 39.000 0.053 0.000 1.335 1702 F HN -0.220 nan 8.300 nan 0.000 0.460 1703 K N 0.315 120.909 120.400 0.324 0.000 2.208 1703 K HA 0.586 4.906 4.320 0.000 0.000 0.240 1703 K C -1.168 175.510 176.600 0.132 0.000 1.088 1703 K CA -1.183 55.218 56.287 0.190 0.000 0.902 1703 K CB 1.552 34.115 32.500 0.105 0.000 1.355 1703 K HN 0.688 nan 8.250 nan 0.000 0.526 1704 K N -0.698 119.745 120.400 0.071 0.000 2.355 1704 K HA 0.178 4.498 4.320 0.000 0.000 0.270 1704 K C 0.548 177.154 176.600 0.009 0.000 1.003 1704 K CA 1.415 57.718 56.287 0.027 0.000 0.957 1704 K CB 0.259 32.770 32.500 0.018 0.000 0.939 1704 K HN 0.835 nan 8.250 nan 0.000 0.482 1705 G N 2.149 110.938 108.800 -0.020 0.000 2.184 1705 G HA2 -0.228 3.732 3.960 0.000 0.000 0.264 1705 G HA3 -0.228 3.732 3.960 0.000 0.000 0.264 1705 G C -0.410 174.472 174.900 -0.030 0.000 0.975 1705 G CA 0.384 45.470 45.100 -0.023 0.000 0.642 1705 G HN 0.689 nan 8.290 nan 0.000 0.536 1706 D N -0.158 120.218 120.400 -0.040 0.000 2.313 1706 D HA 0.526 5.166 4.640 0.000 0.000 0.247 1706 D C 0.691 176.923 176.300 -0.113 0.000 1.094 1706 D CA -0.170 53.803 54.000 -0.045 0.000 0.925 1706 D CB 1.678 42.488 40.800 0.017 0.000 1.188 1706 D HN 0.181 nan 8.370 nan 0.000 0.430 1707 V N 1.475 121.338 119.914 -0.085 0.000 2.539 1707 V HA 0.510 4.631 4.120 0.000 0.000 0.292 1707 V C 0.346 176.363 176.094 -0.128 0.000 1.045 1707 V CA -0.579 61.660 62.300 -0.100 0.000 0.945 1707 V CB 1.755 33.543 31.823 -0.059 0.000 0.993 1707 V HN 0.230 nan 8.190 nan 0.000 0.464 1708 V N 4.475 124.299 119.914 -0.150 0.000 3.078 1708 V HA 0.549 4.669 4.120 0.000 0.000 0.311 1708 V C -0.930 175.109 176.094 -0.092 0.000 1.138 1708 V CA -0.657 61.555 62.300 -0.147 0.000 1.007 1708 V CB 2.507 34.169 31.823 -0.268 0.000 1.045 1708 V HN 0.623 nan 8.190 nan 0.000 0.432 1709 I N 3.441 123.973 120.570 -0.063 0.000 2.378 1709 I HA 0.473 4.644 4.170 0.000 0.000 0.291 1709 I C -0.331 175.767 176.117 -0.032 0.000 0.992 1709 I CA -0.622 60.651 61.300 -0.044 0.000 1.154 1709 I CB 1.467 39.443 38.000 -0.041 0.000 1.315 1709 I HN 0.189 nan 8.210 nan 0.000 0.448 1710 V N 7.460 127.357 119.914 -0.029 0.000 2.357 1710 V HA 0.447 4.567 4.120 0.000 0.000 0.284 1710 V C 0.015 176.105 176.094 -0.007 0.000 1.018 1710 V CA -0.573 61.713 62.300 -0.023 0.000 0.841 1710 V CB 2.015 33.816 31.823 -0.038 0.000 0.991 1710 V HN 0.457 nan 8.190 nan 0.000 0.437 1711 L N 5.902 127.124 121.223 -0.002 0.000 2.298 1711 L HA 0.762 5.102 4.340 0.000 0.000 0.284 1711 L C 0.311 177.179 176.870 -0.003 0.000 1.013 1711 L CA 0.119 54.966 54.840 0.011 0.000 0.824 1711 L CB 1.857 43.932 42.059 0.028 0.000 1.221 1711 L HN 0.934 nan 8.230 nan 0.000 0.418 1712 T N -0.369 114.186 114.554 0.001 0.000 2.812 1712 T HA 0.734 5.084 4.350 0.000 0.000 0.294 1712 T C -0.253 174.459 174.700 0.020 0.000 1.159 1712 T CA -0.743 61.347 62.100 -0.016 0.000 1.008 1712 T CB 1.793 70.620 68.868 -0.069 0.000 1.289 1712 T HN 0.488 nan 8.240 nan 0.000 0.514 1713 G N -0.689 108.152 108.800 0.069 0.000 2.388 1713 G HA2 0.442 4.402 3.960 0.000 0.000 0.330 1713 G HA3 0.442 4.402 3.960 0.000 0.000 0.330 1713 G C 0.255 175.350 174.900 0.325 0.000 1.142 1713 G CA -0.914 44.266 45.100 0.133 0.000 0.908 1713 G HN 0.795 nan 8.290 nan 0.000 0.473 1714 W N 2.738 124.081 121.300 0.071 0.000 2.354 1714 W HA 0.021 4.681 4.660 0.000 0.000 0.315 1714 W C 0.697 177.382 176.519 0.277 0.000 1.206 1714 W CA 0.744 58.169 57.345 0.134 0.000 1.290 1714 W CB 0.346 29.814 29.460 0.013 0.000 1.152 1714 W HN 0.405 nan 8.180 nan 0.000 0.489 1715 R N -0.870 119.726 120.500 0.161 0.000 2.923 1715 R HA 0.339 4.679 4.340 0.000 0.000 0.252 1715 R C -2.408 173.459 176.300 -0.722 0.000 1.130 1715 R CA -1.958 53.934 56.100 -0.347 0.000 1.043 1715 R CB 0.516 30.661 30.300 -0.259 0.000 1.205 1715 R HN -0.292 nan 8.270 nan 0.000 0.495 1716 P HA 0.064 nan 4.420 nan 0.000 0.271 1716 P C -0.078 176.880 177.300 -0.570 0.000 1.218 1716 P CA 0.219 62.334 63.100 -1.640 0.000 0.780 1716 P CB 0.582 31.372 31.700 -1.516 0.000 0.901 1717 G N 1.881 110.515 108.800 -0.276 0.000 2.338 1717 G HA2 -0.285 3.676 3.960 0.000 0.000 0.296 1717 G HA3 -0.285 3.676 3.960 0.000 0.000 0.296 1717 G C 0.941 175.803 174.900 -0.063 0.000 1.040 1717 G CA 0.364 45.401 45.100 -0.105 0.000 1.004 1717 G HN 0.464 nan 8.290 nan 0.000 0.509 1718 S N -0.762 114.914 115.700 -0.040 0.000 2.603 1718 S HA 0.327 4.797 4.470 0.000 0.000 0.220 1718 S C 2.394 177.013 174.600 0.033 0.000 0.967 1718 S CA 1.340 59.513 58.200 -0.045 0.000 0.920 1718 S CB -0.247 62.890 63.200 -0.104 0.000 0.773 1718 S HN 2.217 nan 8.310 nan 0.000 0.529 1719 G N 1.300 110.164 108.800 0.107 0.000 2.270 1719 G HA2 -0.313 3.647 3.960 0.000 0.000 0.268 1719 G HA3 -0.313 3.647 3.960 0.000 0.000 0.268 1719 G C 0.127 175.247 174.900 0.368 0.000 0.982 1719 G CA 1.025 46.257 45.100 0.220 0.000 0.628 1719 G HN 0.948 nan 8.290 nan 0.000 0.544 1720 F N -2.774 117.210 119.950 0.056 0.000 2.952 1720 F HA 0.538 5.065 4.527 0.000 0.000 0.329 1720 F C -0.281 175.565 175.800 0.076 0.000 1.137 1720 F CA -0.618 57.412 58.000 0.049 0.000 0.889 1720 F CB 0.205 39.225 39.000 0.033 0.000 1.335 1720 F HN 0.639 nan 8.300 nan 0.000 0.449 1721 T N 0.879 115.457 114.554 0.040 0.000 2.727 1721 T HA 0.299 4.650 4.350 0.000 0.000 0.295 1721 T C 0.146 174.753 174.700 -0.157 0.000 0.915 1721 T CA -0.042 62.012 62.100 -0.077 0.000 1.066 1721 T CB 0.293 69.190 68.868 0.048 0.000 0.891 1721 T HN 0.794 nan 8.240 nan 0.000 0.516 1722 N N 1.771 120.215 118.700 -0.427 0.000 2.220 1722 N HA 0.066 4.806 4.740 0.000 0.000 0.195 1722 N C -0.283 175.219 175.510 -0.013 0.000 1.123 1722 N CA -0.379 52.513 53.050 -0.263 0.000 0.874 1722 N CB 0.243 38.424 38.487 -0.509 0.000 0.995 1722 N HN 0.577 nan 8.380 nan 0.000 0.498 1723 T N 1.347 115.919 114.554 0.030 0.000 2.770 1723 T HA 0.383 4.733 4.350 0.000 0.000 0.283 1723 T C -0.452 174.289 174.700 0.067 0.000 0.988 1723 T CA -0.578 61.581 62.100 0.098 0.000 0.957 1723 T CB 1.722 70.740 68.868 0.250 0.000 0.930 1723 T HN 0.008 nan 8.240 nan 0.000 0.443 1724 M N 3.567 123.199 119.600 0.054 0.000 2.311 1724 M HA 0.540 5.020 4.480 0.000 0.000 0.325 1724 M C -1.164 175.151 176.300 0.025 0.000 1.061 1724 M CA -0.572 54.747 55.300 0.032 0.000 0.957 1724 M CB 1.822 34.436 32.600 0.023 0.000 1.646 1724 M HN 0.616 nan 8.290 nan 0.000 0.434 1725 R N 2.370 122.876 120.500 0.010 0.000 2.651 1725 R HA 0.566 4.906 4.340 0.000 0.000 0.278 1725 R C -1.695 174.593 176.300 -0.020 0.000 1.010 1725 R CA -0.630 55.471 56.100 0.001 0.000 0.896 1725 R CB 2.804 33.106 30.300 0.004 0.000 1.211 1725 R HN 0.587 nan 8.270 nan 0.000 0.456 1726 V N 5.200 125.100 119.914 -0.024 0.000 2.432 1726 V HA 0.521 4.641 4.120 0.000 0.000 0.275 1726 V C -0.682 175.385 176.094 -0.046 0.000 1.043 1726 V CA -0.053 62.225 62.300 -0.037 0.000 0.925 1726 V CB 1.393 33.196 31.823 -0.033 0.000 0.985 1726 V HN 0.469 nan 8.190 nan 0.000 0.466 1727 V N 7.937 127.811 119.914 -0.068 0.000 3.102 1727 V HA 0.682 4.803 4.120 0.000 0.000 0.312 1727 V C -2.616 173.414 176.094 -0.107 0.000 1.135 1727 V CA -1.751 60.501 62.300 -0.081 0.000 1.022 1727 V CB 2.587 34.356 31.823 -0.090 0.000 1.056 1727 V HN 0.811 nan 8.190 nan 0.000 0.436 1728 P HA 0.487 nan 4.420 nan 0.000 0.298 1728 P C -1.027 176.185 177.300 -0.148 0.000 1.334 1728 P CA -0.699 62.334 63.100 -0.112 0.000 0.942 1728 P CB 1.695 33.352 31.700 -0.071 0.000 1.162 1729 V N 4.464 124.265 119.914 -0.190 0.000 2.715 1729 V HA 0.239 4.359 4.120 0.000 0.000 0.299 1729 V C -1.787 174.250 176.094 -0.095 0.000 1.054 1729 V CA -0.768 61.406 62.300 -0.211 0.000 1.077 1729 V CB 0.229 31.874 31.823 -0.296 0.000 0.972 1729 V HN 0.617 nan 8.190 nan 0.000 0.484 1730 P HA 0.000 nan 4.420 nan 0.000 0.216 1730 P CA 0.000 63.081 63.100 -0.032 0.000 0.800 1730 P CB 0.000 31.680 31.700 -0.033 0.000 0.726