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 1a49_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 0.000 176.103 176.117 -0.023 0.000 1.063 1212 I CA 0.000 61.288 61.300 -0.021 0.000 1.566 1212 I CB 0.000 37.993 38.000 -0.011 0.000 1.214 1213 Q N 3.847 123.633 119.800 -0.023 0.000 2.271 1213 Q HA 0.651 4.991 4.340 0.000 0.000 0.258 1213 Q C -0.515 175.482 176.000 -0.005 0.000 0.936 1213 Q CA -0.142 55.649 55.803 -0.021 0.000 0.909 1213 Q CB 2.507 31.226 28.738 -0.032 0.000 1.253 1213 Q HN 0.567 nan 8.270 nan 0.000 0.440 1214 T N 1.966 116.523 114.554 0.004 0.000 3.041 1214 T HA 0.167 4.517 4.350 0.000 0.000 0.321 1214 T C -0.571 174.142 174.700 0.021 0.000 1.184 1214 T CA -0.269 61.838 62.100 0.012 0.000 1.050 1214 T CB 0.666 69.542 68.868 0.012 0.000 1.159 1214 T HN 0.692 nan 8.240 nan 0.000 0.469 1215 Q N 2.681 122.495 119.800 0.023 0.000 2.481 1215 Q HA -0.205 4.135 4.340 0.000 0.000 0.272 1215 Q C -0.137 175.891 176.000 0.046 0.000 1.157 1215 Q CA 0.695 56.518 55.803 0.034 0.000 0.935 1215 Q CB -0.603 28.153 28.738 0.030 0.000 1.338 1215 Q HN 0.793 nan 8.270 nan 0.000 0.494 1216 Q N -2.643 117.177 119.800 0.033 0.000 2.461 1216 Q HA -0.257 4.083 4.340 0.000 0.000 0.264 1216 Q C 0.689 176.724 176.000 0.059 0.000 1.085 1216 Q CA 1.553 57.373 55.803 0.029 0.000 1.006 1216 Q CB -2.083 26.656 28.738 0.002 0.000 1.437 1216 Q HN 0.680 nan 8.270 nan 0.000 0.514 1217 L N -0.978 120.284 121.223 0.065 0.000 2.191 1217 L HA -0.202 4.139 4.340 0.000 0.000 0.212 1217 L C 2.311 179.248 176.870 0.111 0.000 1.103 1217 L CA 1.645 56.529 54.840 0.073 0.000 0.769 1217 L CB -0.456 41.633 42.059 0.051 0.000 0.908 1217 L HN 0.307 nan 8.230 nan 0.000 0.438 1218 H N 0.354 119.414 119.070 -0.016 0.000 2.357 1218 H HA -0.078 4.478 4.556 0.000 0.000 0.301 1218 H C 2.129 177.435 175.328 -0.036 0.000 1.082 1218 H CA 1.357 57.389 56.048 -0.027 0.000 1.342 1218 H CB 0.111 29.846 29.762 -0.045 0.000 1.389 1218 H HN 0.250 nan 8.280 nan 0.000 0.511 1219 A N 0.494 123.261 122.820 -0.087 0.000 1.968 1219 A HA 0.082 4.402 4.320 0.000 0.000 0.217 1219 A C 2.497 180.080 177.584 -0.002 0.000 1.169 1219 A CA 1.196 53.108 52.037 -0.209 0.000 0.638 1219 A CB -0.993 17.796 19.000 -0.353 0.000 0.812 1219 A HN 0.535 nan 8.150 nan 0.000 0.446 1220 A N -1.070 121.796 122.820 0.077 0.000 2.178 1220 A HA 0.009 4.329 4.320 0.000 0.000 0.218 1220 A C 1.748 179.407 177.584 0.124 0.000 1.157 1220 A CA 1.387 53.515 52.037 0.151 0.000 0.689 1220 A CB -0.369 18.702 19.000 0.118 0.000 0.787 1220 A HN 0.428 nan 8.150 nan 0.000 0.465 1221 M N -0.609 119.009 119.600 0.031 0.000 2.383 1221 M HA 0.287 4.767 4.480 0.000 0.000 0.247 1221 M C 0.896 177.193 176.300 -0.006 0.000 1.117 1221 M CA -0.057 55.256 55.300 0.022 0.000 0.995 1221 M CB -0.997 31.604 32.600 0.001 0.000 1.480 1221 M HN 0.357 nan 8.290 nan 0.000 0.485 1222 A N 1.093 123.880 122.820 -0.056 0.000 2.406 1222 A HA 0.159 4.479 4.320 0.000 0.000 0.243 1222 A C 0.786 178.442 177.584 0.119 0.000 1.082 1222 A CA 0.010 52.000 52.037 -0.079 0.000 0.786 1222 A CB 0.463 19.318 19.000 -0.241 0.000 1.029 1222 A HN 0.314 nan 8.150 nan 0.000 0.495 1223 D N -0.437 120.021 120.400 0.095 0.000 2.201 1223 D HA 0.026 4.666 4.640 0.000 0.000 0.209 1223 D C 1.017 177.463 176.300 0.244 0.000 0.961 1223 D CA 1.896 55.989 54.000 0.154 0.000 0.861 1223 D CB -0.261 40.587 40.800 0.080 0.000 0.997 1223 D HN 0.724 nan 8.370 nan 0.000 0.486 1224 T N -2.427 112.241 114.554 0.189 0.000 2.945 1224 T HA 0.273 4.623 4.350 0.000 0.000 0.286 1224 T C 0.823 175.678 174.700 0.257 0.000 1.025 1224 T CA -0.856 61.380 62.100 0.228 0.000 1.039 1224 T CB 1.568 70.514 68.868 0.130 0.000 1.068 1224 T HN -0.136 nan 8.240 nan 0.000 0.497 1225 F N 0.756 120.849 119.950 0.238 0.000 2.216 1225 F HA 0.016 4.543 4.527 0.000 0.000 0.300 1225 F C 1.866 177.699 175.800 0.055 0.000 1.085 1225 F CA 1.030 59.147 58.000 0.195 0.000 1.326 1225 F CB -0.297 38.826 39.000 0.206 0.000 1.027 1225 F HN 0.546 nan 8.300 nan 0.000 0.497 1226 L N 0.480 121.780 121.223 0.128 0.000 1.994 1226 L HA -0.184 4.156 4.340 0.000 0.000 0.208 1226 L C 2.330 179.139 176.870 -0.103 0.000 1.071 1226 L CA 1.965 56.825 54.840 0.032 0.000 0.745 1226 L CB -1.064 41.038 42.059 0.073 0.000 0.892 1226 L HN 0.041 nan 8.230 nan 0.000 0.431 1227 E N -1.068 119.075 120.200 -0.095 0.000 2.204 1227 E HA -0.292 4.058 4.350 0.000 0.000 0.195 1227 E C 2.086 178.522 176.600 -0.273 0.000 0.990 1227 E CA 1.277 57.588 56.400 -0.148 0.000 0.821 1227 E CB -0.195 29.444 29.700 -0.101 0.000 0.750 1227 E HN 0.726 nan 8.360 nan 0.000 0.477 1228 H N 0.168 118.918 119.070 -0.532 0.000 2.321 1228 H HA -0.007 4.550 4.556 0.000 0.000 0.300 1228 H C 2.171 177.148 175.328 -0.585 0.000 1.087 1228 H CA 1.889 57.471 56.048 -0.777 0.000 1.319 1228 H CB -0.091 28.775 29.762 -1.494 0.000 1.379 1228 H HN 0.023 nan 8.280 nan 0.000 0.501 1229 M N -0.742 118.486 119.600 -0.620 0.000 2.086 1229 M HA -0.204 4.277 4.480 0.000 0.000 0.261 1229 M C 2.361 178.469 176.300 -0.321 0.000 1.067 1229 M CA 1.541 56.560 55.300 -0.469 0.000 1.116 1229 M CB -0.324 32.111 32.600 -0.276 0.000 1.348 1229 M HN 0.449 nan 8.290 nan 0.000 0.407 1230 C N -0.045 119.110 119.300 -0.243 0.000 2.409 1230 C HA -0.139 4.321 4.460 0.000 0.000 0.284 1230 C C 2.290 177.180 174.990 -0.166 0.000 1.354 1230 C CA 0.950 59.870 59.018 -0.163 0.000 1.787 1230 C CB -1.326 26.341 27.740 -0.122 0.000 1.900 1230 C HN 0.440 nan 8.230 nan 0.000 0.520 1231 R N -0.414 119.939 120.500 -0.245 0.000 2.432 1231 R HA 0.260 4.601 4.340 0.000 0.000 0.260 1231 R C -0.171 176.013 176.300 -0.192 0.000 0.935 1231 R CA -0.190 55.795 56.100 -0.192 0.000 1.080 1231 R CB 0.044 30.184 30.300 -0.267 0.000 1.155 1231 R HN 0.451 nan 8.270 nan 0.000 0.531 1232 L N 1.928 122.997 121.223 -0.256 0.000 2.462 1232 L HA 0.074 4.414 4.340 0.000 0.000 0.272 1232 L C -0.091 176.710 176.870 -0.115 0.000 1.166 1232 L CA 0.058 54.769 54.840 -0.215 0.000 0.880 1232 L CB 0.218 42.133 42.059 -0.239 0.000 1.142 1232 L HN -0.068 nan 8.230 nan 0.000 0.473 1233 D N 2.934 123.288 120.400 -0.077 0.000 2.408 1233 D HA 0.258 4.898 4.640 0.000 0.000 0.243 1233 D C 0.881 177.159 176.300 -0.038 0.000 1.075 1233 D CA -0.622 53.350 54.000 -0.046 0.000 0.832 1233 D CB 1.339 42.124 40.800 -0.026 0.000 1.162 1233 D HN 0.454 nan 8.370 nan 0.000 0.515 1234 I N 0.135 120.684 120.570 -0.034 0.000 2.614 1234 I HA -0.001 4.169 4.170 0.000 0.000 0.258 1234 I C 0.289 176.394 176.117 -0.019 0.000 1.189 1234 I CA 0.820 62.104 61.300 -0.026 0.000 1.462 1234 I CB 0.077 38.063 38.000 -0.024 0.000 1.092 1234 I HN 0.114 nan 8.210 nan 0.000 0.442 1235 D N 1.217 121.605 120.400 -0.020 0.000 2.340 1235 D HA 0.046 4.686 4.640 0.000 0.000 0.220 1235 D C 0.784 177.076 176.300 -0.013 0.000 1.039 1235 D CA 0.448 54.438 54.000 -0.016 0.000 0.866 1235 D CB 0.301 41.090 40.800 -0.018 0.000 0.913 1235 D HN 0.240 nan 8.370 nan 0.000 0.523 1236 S N 0.721 116.413 115.700 -0.013 0.000 2.409 1236 S HA 0.508 4.978 4.470 0.000 0.000 0.308 1236 S C 0.065 174.665 174.600 -0.001 0.000 1.080 1236 S CA -0.746 57.450 58.200 -0.007 0.000 1.081 1236 S CB 0.083 63.280 63.200 -0.005 0.000 1.009 1236 S HN 0.174 nan 8.310 nan 0.000 0.502 1237 A N 7.260 130.082 122.820 0.003 0.000 2.477 1237 A HA 0.551 4.871 4.320 0.000 0.000 0.246 1237 A C -2.199 175.394 177.584 0.015 0.000 1.078 1237 A CA -1.090 50.952 52.037 0.009 0.000 0.770 1237 A CB -0.129 18.878 19.000 0.012 0.000 1.011 1237 A HN 0.668 nan 8.150 nan 0.000 0.494 1238 P HA 0.418 nan 4.420 nan 0.000 0.278 1238 P C -0.075 177.240 177.300 0.025 0.000 1.266 1238 P CA -0.436 62.677 63.100 0.020 0.000 0.807 1238 P CB 0.474 32.182 31.700 0.013 0.000 1.094 1239 I N -2.043 118.540 120.570 0.022 0.000 3.211 1239 I HA 0.246 4.416 4.170 0.000 0.000 0.297 1239 I C 1.807 177.954 176.117 0.050 0.000 1.095 1239 I CA -0.321 60.993 61.300 0.024 0.000 1.239 1239 I CB -0.378 37.615 38.000 -0.011 0.000 1.455 1239 I HN 0.391 nan 8.210 nan 0.000 0.630 1240 T N 0.135 114.742 114.554 0.089 0.000 2.857 1240 T HA 0.115 4.466 4.350 0.000 0.000 0.266 1240 T C 0.999 175.841 174.700 0.238 0.000 1.048 1240 T CA 0.395 62.603 62.100 0.180 0.000 1.139 1240 T CB -0.451 68.555 68.868 0.230 0.000 0.874 1240 T HN 0.818 nan 8.240 nan 0.000 0.455 1241 A N 2.339 125.190 122.820 0.052 0.000 2.492 1241 A HA 0.454 4.774 4.320 0.000 0.000 0.254 1241 A C 0.542 178.222 177.584 0.160 0.000 1.091 1241 A CA -0.567 51.418 52.037 -0.086 0.000 0.768 1241 A CB -0.024 18.342 19.000 -1.057 0.000 1.028 1241 A HN 0.464 nan 8.150 nan 0.000 0.498 1242 R N 3.129 123.881 120.500 0.421 0.000 2.207 1242 R HA 0.168 4.509 4.340 0.000 0.000 0.334 1242 R C -0.070 176.412 176.300 0.303 0.000 1.013 1242 R CA -0.130 56.115 56.100 0.242 0.000 0.858 1242 R CB 0.242 30.614 30.300 0.120 0.000 1.094 1242 R HN 0.954 nan 8.270 nan 0.000 0.457 1243 N N 0.812 119.638 118.700 0.210 0.000 2.290 1243 N HA -0.047 4.693 4.740 0.000 0.000 0.179 1243 N C -0.220 175.332 175.510 0.070 0.000 1.016 1243 N CA 0.775 53.945 53.050 0.200 0.000 0.871 1243 N CB 0.225 38.836 38.487 0.207 0.000 0.987 1243 N HN 0.441 nan 8.380 nan 0.000 0.431 1244 T N 0.878 115.465 114.554 0.055 0.000 2.799 1244 T HA 0.224 4.574 4.350 0.000 0.000 0.296 1244 T C 0.611 175.315 174.700 0.007 0.000 0.947 1244 T CA -0.451 61.664 62.100 0.026 0.000 1.141 1244 T CB 0.967 69.847 68.868 0.021 0.000 0.891 1244 T HN 0.164 nan 8.240 nan 0.000 0.533 1245 G N 2.784 111.584 108.800 -0.001 0.000 2.491 1245 G HA2 0.463 4.423 3.960 0.000 0.000 0.242 1245 G HA3 0.463 4.423 3.960 0.000 0.000 0.242 1245 G C -0.376 174.515 174.900 -0.014 0.000 1.266 1245 G CA -0.521 44.575 45.100 -0.008 0.000 0.844 1245 G HN 0.758 nan 8.290 nan 0.000 0.571 1246 I N 1.795 122.347 120.570 -0.031 0.000 2.382 1246 I HA 0.293 4.463 4.170 0.000 0.000 0.286 1246 I C -0.144 175.963 176.117 -0.017 0.000 1.002 1246 I CA -0.431 60.860 61.300 -0.015 0.000 1.135 1246 I CB 1.627 39.630 38.000 0.004 0.000 1.288 1246 I HN 0.215 nan 8.210 nan 0.000 0.448 1247 I N 5.639 126.214 120.570 0.009 0.000 2.354 1247 I HA 0.375 4.545 4.170 0.000 0.000 0.292 1247 I C -0.653 175.497 176.117 0.055 0.000 0.989 1247 I CA -0.482 60.846 61.300 0.047 0.000 1.188 1247 I CB 1.447 39.499 38.000 0.086 0.000 1.342 1247 I HN 0.487 nan 8.210 nan 0.000 0.457 1248 C N 3.867 123.203 119.300 0.061 0.000 2.345 1248 C HA 0.371 4.832 4.460 0.000 0.000 0.323 1248 C C 0.677 175.719 174.990 0.086 0.000 1.276 1248 C CA -0.552 58.503 59.018 0.061 0.000 1.543 1248 C CB 1.130 28.892 27.740 0.037 0.000 2.211 1248 C HN 0.694 nan 8.230 nan 0.000 0.493 1249 T N 5.078 119.689 114.554 0.095 0.000 2.738 1249 T HA 0.223 4.574 4.350 0.000 0.000 0.293 1249 T C 0.238 174.996 174.700 0.097 0.000 0.913 1249 T CA -0.109 62.059 62.100 0.113 0.000 1.103 1249 T CB -0.163 68.775 68.868 0.116 0.000 0.880 1249 T HN 0.341 nan 8.240 nan 0.000 0.526 1250 I N 4.202 124.836 120.570 0.107 0.000 2.337 1250 I HA 0.492 4.662 4.170 0.000 0.000 0.291 1250 I C 0.975 177.176 176.117 0.141 0.000 1.046 1250 I CA -0.230 61.131 61.300 0.101 0.000 1.324 1250 I CB 0.178 38.229 38.000 0.085 0.000 1.409 1250 I HN 0.777 nan 8.210 nan 0.000 0.494 1251 G N 7.174 116.043 108.800 0.116 0.000 3.135 1251 G HA2 0.546 4.506 3.960 0.000 0.000 0.278 1251 G HA3 0.546 4.506 3.960 0.000 0.000 0.278 1251 G C -2.315 172.671 174.900 0.143 0.000 1.302 1251 G CA -0.572 44.622 45.100 0.157 0.000 0.880 1251 G HN 0.281 nan 8.290 nan 0.000 0.574 1252 P HA -0.156 nan 4.420 nan 0.000 0.217 1252 P C 1.913 179.250 177.300 0.062 0.000 1.162 1252 P CA 2.663 65.855 63.100 0.154 0.000 0.901 1252 P CB -0.010 31.743 31.700 0.089 0.000 0.793 1253 A N -0.967 121.874 122.820 0.034 0.000 2.239 1253 A HA -0.008 4.313 4.320 0.000 0.000 0.209 1253 A C 1.549 179.140 177.584 0.012 0.000 1.171 1253 A CA 1.585 53.627 52.037 0.009 0.000 0.768 1253 A CB -0.887 18.108 19.000 -0.009 0.000 0.790 1253 A HN 0.363 nan 8.150 nan 0.000 0.478 1254 S N -2.485 113.229 115.700 0.024 0.000 2.993 1254 S HA 0.238 4.708 4.470 0.000 0.000 0.257 1254 S C 1.109 175.716 174.600 0.012 0.000 0.997 1254 S CA -0.373 57.839 58.200 0.020 0.000 1.191 1254 S CB -0.119 63.099 63.200 0.030 0.000 1.143 1254 S HN 0.497 nan 8.310 nan 0.000 0.655 1255 R N 2.729 123.226 120.500 -0.006 0.000 2.073 1255 R HA -0.011 4.330 4.340 0.000 0.000 0.234 1255 R C 1.011 177.288 176.300 -0.038 0.000 1.134 1255 R CA 1.317 57.388 56.100 -0.048 0.000 0.952 1255 R CB -0.541 29.686 30.300 -0.121 0.000 0.850 1255 R HN 0.634 nan 8.270 nan 0.000 0.433 1256 S N 0.444 116.128 115.700 -0.026 0.000 2.561 1256 S HA -0.062 4.409 4.470 0.000 0.000 0.294 1256 S C 1.413 176.010 174.600 -0.005 0.000 1.294 1256 S CA -0.441 57.748 58.200 -0.018 0.000 1.055 1256 S CB 1.233 64.426 63.200 -0.012 0.000 0.819 1256 S HN -0.013 nan 8.310 nan 0.000 0.503 1257 V N 2.514 122.425 119.914 -0.006 0.000 2.295 1257 V HA -0.165 3.955 4.120 0.000 0.000 0.246 1257 V C 2.763 178.863 176.094 0.011 0.000 1.049 1257 V CA 2.382 64.685 62.300 0.005 0.000 1.024 1257 V CB -0.958 30.864 31.823 -0.002 0.000 0.648 1257 V HN 1.097 nan 8.190 nan 0.000 0.447 1258 E N -0.883 119.319 120.200 0.002 0.000 2.267 1258 E HA -0.214 4.137 4.350 0.000 0.000 0.197 1258 E C 1.962 178.574 176.600 0.019 0.000 0.998 1258 E CA 1.654 58.057 56.400 0.006 0.000 0.830 1258 E CB 0.026 29.725 29.700 -0.001 0.000 0.751 1258 E HN 0.624 nan 8.360 nan 0.000 0.491 1259 T N 0.413 114.978 114.554 0.018 0.000 3.035 1259 T HA 0.066 4.416 4.350 0.000 0.000 0.259 1259 T C 1.768 176.490 174.700 0.036 0.000 1.078 1259 T CA 0.115 62.228 62.100 0.023 0.000 1.132 1259 T CB 0.093 68.969 68.868 0.014 0.000 0.900 1259 T HN 0.114 nan 8.240 nan 0.000 0.480 1260 L N 0.722 121.969 121.223 0.040 0.000 2.027 1260 L HA -0.058 4.282 4.340 0.000 0.000 0.206 1260 L C 2.588 179.516 176.870 0.097 0.000 1.074 1260 L CA 1.390 56.264 54.840 0.055 0.000 0.745 1260 L CB -0.421 41.668 42.059 0.051 0.000 0.898 1260 L HN 0.140 nan 8.230 nan 0.000 0.433 1261 K N -0.301 120.174 120.400 0.125 0.000 2.113 1261 K HA -0.195 4.126 4.320 0.000 0.000 0.208 1261 K C 2.085 178.807 176.600 0.203 0.000 1.047 1261 K CA 1.347 57.773 56.287 0.230 0.000 0.928 1261 K CB -0.032 32.541 32.500 0.123 0.000 0.716 1261 K HN 0.265 nan 8.250 nan 0.000 0.446 1262 E N 0.183 120.448 120.200 0.107 0.000 2.158 1262 E HA -0.082 4.269 4.350 0.000 0.000 0.191 1262 E C 1.989 178.612 176.600 0.038 0.000 0.982 1262 E CA 0.916 57.361 56.400 0.074 0.000 0.823 1262 E CB 0.001 29.732 29.700 0.052 0.000 0.766 1262 E HN 0.417 nan 8.360 nan 0.000 0.468 1263 M N 0.288 119.907 119.600 0.032 0.000 2.132 1263 M HA -0.084 4.396 4.480 0.000 0.000 0.263 1263 M C 2.458 178.738 176.300 -0.032 0.000 1.065 1263 M CA 1.258 56.561 55.300 0.005 0.000 1.122 1263 M CB -0.419 32.188 32.600 0.013 0.000 1.365 1263 M HN 0.033 nan 8.290 nan 0.000 0.411 1264 I N 0.504 121.054 120.570 -0.034 0.000 2.127 1264 I HA -0.324 3.846 4.170 0.000 0.000 0.241 1264 I C 2.526 178.535 176.117 -0.180 0.000 1.075 1264 I CA 1.559 62.784 61.300 -0.124 0.000 1.334 1264 I CB -0.676 37.239 38.000 -0.141 0.000 1.040 1264 I HN 0.339 nan 8.210 nan 0.000 0.405 1265 K N 0.407 120.725 120.400 -0.137 0.000 2.160 1265 K HA -0.176 4.144 4.320 0.000 0.000 0.206 1265 K C 2.154 178.684 176.600 -0.117 0.000 1.047 1265 K CA 1.595 57.808 56.287 -0.124 0.000 0.930 1265 K CB -0.176 32.327 32.500 0.004 0.000 0.720 1265 K HN 0.221 nan 8.250 nan 0.000 0.450 1266 S N -1.235 114.414 115.700 -0.086 0.000 2.527 1266 S HA 0.035 4.505 4.470 0.000 0.000 0.222 1266 S C 1.131 175.654 174.600 -0.128 0.000 0.985 1266 S CA 0.866 59.014 58.200 -0.086 0.000 0.921 1266 S CB 0.623 63.804 63.200 -0.031 0.000 0.772 1266 S HN 0.631 nan 8.310 nan 0.000 0.529 1267 G N 0.780 109.500 108.800 -0.134 0.000 2.273 1267 G HA2 -0.166 3.795 3.960 0.000 0.000 0.162 1267 G HA3 -0.166 3.795 3.960 0.000 0.000 0.162 1267 G C 0.081 174.930 174.900 -0.085 0.000 1.006 1267 G CA -0.250 44.781 45.100 -0.115 0.000 0.704 1267 G HN 0.387 nan 8.290 nan 0.000 0.487 1268 M N 1.220 120.763 119.600 -0.095 0.000 2.238 1268 M HA 0.336 4.816 4.480 0.000 0.000 0.350 1268 M C 0.921 177.106 176.300 -0.191 0.000 1.321 1268 M CA 0.758 55.996 55.300 -0.102 0.000 1.097 1268 M CB 0.167 32.729 32.600 -0.064 0.000 1.713 1268 M HN 0.233 nan 8.290 nan 0.000 0.455 1269 N N 2.515 121.065 118.700 -0.249 0.000 2.397 1269 N HA 0.191 4.931 4.740 0.000 0.000 0.190 1269 N C -1.065 174.207 175.510 -0.396 0.000 1.099 1269 N CA -0.166 52.563 53.050 -0.536 0.000 0.876 1269 N CB 1.032 39.089 38.487 -0.716 0.000 1.143 1269 N HN 0.396 nan 8.380 nan 0.000 0.468 1270 V N 0.315 120.135 119.914 -0.157 0.000 2.971 1270 V HA 0.765 4.886 4.120 0.000 0.000 0.309 1270 V C -1.191 174.907 176.094 0.008 0.000 1.130 1270 V CA -1.279 60.998 62.300 -0.037 0.000 0.964 1270 V CB 1.870 33.725 31.823 0.054 0.000 1.029 1270 V HN 0.029 nan 8.190 nan 0.000 0.427 1271 A N 3.242 126.073 122.820 0.017 0.000 2.318 1271 A HA 0.830 5.150 4.320 0.000 0.000 0.317 1271 A C -0.354 177.248 177.584 0.031 0.000 1.159 1271 A CA -0.670 51.387 52.037 0.034 0.000 0.799 1271 A CB 1.023 20.039 19.000 0.026 0.000 1.194 1271 A HN 0.852 nan 8.150 nan 0.000 0.479 1272 R N 2.654 123.202 120.500 0.079 0.000 2.346 1272 R HA 0.605 4.946 4.340 0.000 0.000 0.311 1272 R C -1.371 174.972 176.300 0.073 0.000 0.983 1272 R CA -0.560 55.580 56.100 0.066 0.000 0.880 1272 R CB 0.702 31.150 30.300 0.246 0.000 1.100 1272 R HN 0.628 nan 8.270 nan 0.000 0.453 1273 M N 3.837 123.451 119.600 0.023 0.000 2.047 1273 M HA 0.231 4.711 4.480 0.000 0.000 0.342 1273 M C -0.517 175.785 176.300 0.003 0.000 1.058 1273 M CA -0.595 54.703 55.300 -0.005 0.000 0.991 1273 M CB 1.231 33.839 32.600 0.014 0.000 1.474 1273 M HN 0.369 nan 8.290 nan 0.000 0.419 1274 N N 2.163 120.897 118.700 0.058 0.000 2.402 1274 N HA 0.116 4.857 4.740 0.000 0.000 0.252 1274 N C 0.019 175.660 175.510 0.217 0.000 1.118 1274 N CA 0.145 53.336 53.050 0.235 0.000 0.945 1274 N CB 0.245 38.944 38.487 0.354 0.000 1.147 1274 N HN 0.443 nan 8.380 nan 0.000 0.495 1275 F N 1.145 121.121 119.950 0.042 0.000 2.604 1275 F HA -0.005 4.522 4.527 0.000 0.000 0.298 1275 F C 2.285 178.210 175.800 0.208 0.000 1.131 1275 F CA 0.386 58.497 58.000 0.185 0.000 1.457 1275 F CB -0.175 38.900 39.000 0.124 0.000 1.095 1275 F HN 0.454 nan 8.300 nan 0.000 0.574 1276 S N -1.786 114.054 115.700 0.234 0.000 2.474 1276 S HA -0.072 4.398 4.470 0.000 0.000 0.235 1276 S C 0.558 175.049 174.600 -0.183 0.000 0.997 1276 S CA 0.624 58.830 58.200 0.009 0.000 0.949 1276 S CB -0.393 62.760 63.200 -0.077 0.000 0.766 1276 S HN 0.311 nan 8.310 nan 0.000 0.517 1277 H N -0.822 118.339 119.070 0.151 0.000 2.771 1277 H HA 0.525 5.081 4.556 0.000 0.000 0.367 1277 H C 0.880 176.154 175.328 -0.090 0.000 1.172 1277 H CA -0.045 56.025 56.048 0.036 0.000 1.186 1277 H CB 1.128 30.907 29.762 0.028 0.000 1.790 1277 H HN 0.316 nan 8.280 nan 0.000 0.556 1278 G N 0.639 109.340 108.800 -0.165 0.000 2.645 1278 G HA2 -0.223 3.737 3.960 0.000 0.000 0.246 1278 G HA3 -0.223 3.737 3.960 0.000 0.000 0.246 1278 G C -0.025 174.691 174.900 -0.305 0.000 1.322 1278 G CA 0.125 44.949 45.100 -0.460 0.000 0.898 1278 G HN 0.973 nan 8.290 nan 0.000 0.573 1279 T N -4.781 109.580 114.554 -0.322 0.000 2.901 1279 T HA 0.678 5.028 4.350 0.000 0.000 0.293 1279 T C 1.054 175.691 174.700 -0.106 0.000 1.084 1279 T CA 0.479 62.478 62.100 -0.168 0.000 1.008 1279 T CB 1.669 70.462 68.868 -0.125 0.000 1.170 1279 T HN 0.756 nan 8.240 nan 0.000 0.509 1280 H N 0.001 118.931 119.070 -0.233 0.000 2.390 1280 H HA -0.136 4.421 4.556 0.000 0.000 0.298 1280 H C 2.192 177.463 175.328 -0.095 0.000 1.106 1280 H CA 1.791 57.605 56.048 -0.391 0.000 1.297 1280 H CB 0.351 29.622 29.762 -0.818 0.000 1.375 1280 H HN 0.856 nan 8.280 nan 0.000 0.509 1281 E N 0.942 121.191 120.200 0.081 0.000 2.047 1281 E HA -0.235 4.115 4.350 0.000 0.000 0.191 1281 E C 2.019 178.695 176.600 0.125 0.000 0.987 1281 E CA 0.983 57.453 56.400 0.117 0.000 0.799 1281 E CB -0.438 29.311 29.700 0.080 0.000 0.752 1281 E HN 0.548 nan 8.360 nan 0.000 0.449 1282 Y N 1.554 121.802 120.300 -0.087 0.000 2.114 1282 Y HA -0.292 4.259 4.550 0.000 0.000 0.282 1282 Y C 2.422 178.275 175.900 -0.079 0.000 1.165 1282 Y CA 2.466 60.486 58.100 -0.134 0.000 1.148 1282 Y CB -0.279 38.019 38.460 -0.271 0.000 0.972 1282 Y HN 0.233 nan 8.280 nan 0.000 0.504 1283 H N -0.777 118.389 119.070 0.159 0.000 2.389 1283 H HA -0.046 4.510 4.556 0.000 0.000 0.299 1283 H C 2.368 177.813 175.328 0.194 0.000 1.081 1283 H CA 1.142 57.264 56.048 0.122 0.000 1.345 1283 H CB -0.828 28.930 29.762 -0.007 0.000 1.393 1283 H HN 0.509 nan 8.280 nan 0.000 0.520 1284 A N 1.080 124.139 122.820 0.399 0.000 1.902 1284 A HA -0.193 4.127 4.320 0.000 0.000 0.217 1284 A C 2.378 180.051 177.584 0.149 0.000 1.181 1284 A CA 1.692 53.926 52.037 0.329 0.000 0.623 1284 A CB -0.404 18.843 19.000 0.412 0.000 0.818 1284 A HN 0.465 nan 8.150 nan 0.000 0.443 1285 E N -0.726 119.522 120.200 0.079 0.000 2.077 1285 E HA -0.158 4.192 4.350 0.000 0.000 0.193 1285 E C 2.009 178.591 176.600 -0.030 0.000 0.989 1285 E CA 1.632 58.030 56.400 -0.004 0.000 0.800 1285 E CB -0.142 29.512 29.700 -0.075 0.000 0.746 1285 E HN 0.581 nan 8.360 nan 0.000 0.452 1286 T N 1.721 116.244 114.554 -0.052 0.000 2.684 1286 T HA -0.181 4.169 4.350 0.000 0.000 0.267 1286 T C 1.844 176.561 174.700 0.028 0.000 1.036 1286 T CA 1.318 63.396 62.100 -0.035 0.000 1.148 1286 T CB -0.161 68.705 68.868 -0.003 0.000 0.863 1286 T HN 0.108 nan 8.240 nan 0.000 0.436 1287 I N 1.618 122.231 120.570 0.071 0.000 2.091 1287 I HA -0.183 3.987 4.170 0.000 0.000 0.239 1287 I C 2.412 178.554 176.117 0.041 0.000 1.061 1287 I CA 1.259 62.595 61.300 0.059 0.000 1.317 1287 I CB -1.314 36.722 38.000 0.059 0.000 1.031 1287 I HN 0.236 nan 8.210 nan 0.000 0.401 1288 K N 0.805 121.229 120.400 0.038 0.000 2.030 1288 K HA -0.284 4.036 4.320 0.000 0.000 0.222 1288 K C 1.862 178.477 176.600 0.025 0.000 1.056 1288 K CA 2.346 58.651 56.287 0.030 0.000 0.957 1288 K CB -0.306 32.210 32.500 0.026 0.000 0.727 1288 K HN 0.363 nan 8.250 nan 0.000 0.452 1289 N N 0.494 119.201 118.700 0.012 0.000 2.149 1289 N HA -0.148 4.593 4.740 0.000 0.000 0.188 1289 N C 1.939 177.466 175.510 0.028 0.000 1.019 1289 N CA 1.222 54.278 53.050 0.009 0.000 0.857 1289 N CB -0.569 37.910 38.487 -0.013 0.000 0.997 1289 N HN 0.055 nan 8.380 nan 0.000 0.426 1290 V N 1.672 121.605 119.914 0.033 0.000 2.255 1290 V HA -0.235 3.885 4.120 0.000 0.000 0.247 1290 V C 2.268 178.401 176.094 0.065 0.000 1.051 1290 V CA 1.702 64.029 62.300 0.045 0.000 1.018 1290 V CB -0.423 31.425 31.823 0.041 0.000 0.641 1290 V HN 0.301 nan 8.190 nan 0.000 0.445 1291 R N -0.750 119.788 120.500 0.065 0.000 2.148 1291 R HA -0.093 4.247 4.340 0.000 0.000 0.227 1291 R C 2.368 178.724 176.300 0.095 0.000 1.103 1291 R CA 1.583 57.735 56.100 0.086 0.000 0.983 1291 R CB -0.532 29.811 30.300 0.072 0.000 0.874 1291 R HN 0.463 nan 8.270 nan 0.000 0.451 1292 T N 0.664 115.258 114.554 0.067 0.000 2.732 1292 T HA -0.031 4.319 4.350 0.000 0.000 0.261 1292 T C 1.882 176.618 174.700 0.061 0.000 1.040 1292 T CA 1.298 63.429 62.100 0.052 0.000 1.145 1292 T CB -0.116 68.768 68.868 0.026 0.000 0.866 1292 T HN 0.350 nan 8.240 nan 0.000 0.427 1293 A N 0.710 123.572 122.820 0.071 0.000 2.125 1293 A HA -0.069 4.251 4.320 0.000 0.000 0.219 1293 A C 2.376 180.088 177.584 0.213 0.000 1.156 1293 A CA 1.808 53.900 52.037 0.092 0.000 0.671 1293 A CB -0.872 18.189 19.000 0.102 0.000 0.794 1293 A HN 0.468 nan 8.150 nan 0.000 0.459 1294 T N 0.283 114.972 114.554 0.225 0.000 2.684 1294 T HA -0.067 4.283 4.350 0.000 0.000 0.253 1294 T C 1.571 176.546 174.700 0.458 0.000 1.057 1294 T CA 1.237 63.537 62.100 0.334 0.000 1.162 1294 T CB -0.250 68.751 68.868 0.221 0.000 0.868 1294 T HN 0.601 nan 8.240 nan 0.000 0.409 1295 E N 2.356 122.750 120.200 0.322 0.000 2.515 1295 E HA -0.062 4.288 4.350 0.000 0.000 0.201 1295 E C 2.218 178.911 176.600 0.155 0.000 1.071 1295 E CA 0.704 57.266 56.400 0.270 0.000 0.880 1295 E CB -0.596 29.186 29.700 0.137 0.000 0.828 1295 E HN 0.621 nan 8.360 nan 0.000 0.540 1296 S N 0.162 115.915 115.700 0.087 0.000 2.442 1296 S HA -0.107 4.364 4.470 0.000 0.000 0.236 1296 S C 1.520 175.999 174.600 -0.201 0.000 1.007 1296 S CA 0.460 58.586 58.200 -0.123 0.000 0.965 1296 S CB -0.451 62.577 63.200 -0.286 0.000 0.773 1296 S HN 0.170 nan 8.310 nan 0.000 0.504 1297 F N 1.414 121.448 119.950 0.140 0.000 2.765 1297 F HA 0.542 5.069 4.527 0.000 0.000 0.302 1297 F C 2.344 178.265 175.800 0.203 0.000 1.111 1297 F CA -0.139 57.962 58.000 0.169 0.000 1.359 1297 F CB -0.331 38.786 39.000 0.196 0.000 1.097 1297 F HN 0.277 nan 8.300 nan 0.000 0.577 1298 A N 0.029 123.002 122.820 0.255 0.000 2.125 1298 A HA -0.189 4.131 4.320 0.000 0.000 0.219 1298 A C 2.420 179.993 177.584 -0.017 0.000 1.156 1298 A CA 1.583 53.595 52.037 -0.042 0.000 0.671 1298 A CB -0.965 17.919 19.000 -0.194 0.000 0.794 1298 A HN 0.398 nan 8.150 nan 0.000 0.459 1299 S N 0.013 115.736 115.700 0.039 0.000 2.368 1299 S HA -0.220 4.250 4.470 0.000 0.000 0.226 1299 S C 0.877 175.498 174.600 0.034 0.000 1.044 1299 S CA 1.518 59.732 58.200 0.023 0.000 1.062 1299 S CB -0.354 62.859 63.200 0.022 0.000 0.931 1299 S HN 0.637 nan 8.310 nan 0.000 0.440 1300 D N 1.504 121.951 120.400 0.077 0.000 2.438 1300 D HA 0.299 4.940 4.640 0.000 0.000 0.257 1300 D C -2.386 173.977 176.300 0.105 0.000 1.148 1300 D CA -2.164 51.880 54.000 0.074 0.000 0.902 1300 D CB 1.798 42.642 40.800 0.072 0.000 1.062 1300 D HN 0.120 nan 8.370 nan 0.000 0.518 1301 P HA -0.078 nan 4.420 nan 0.000 0.229 1301 P C 1.397 178.761 177.300 0.107 0.000 1.150 1301 P CA 0.199 63.354 63.100 0.092 0.000 0.765 1301 P CB 0.356 32.073 31.700 0.029 0.000 0.783 1302 I N -1.163 119.452 120.570 0.075 0.000 2.406 1302 I HA -0.076 4.094 4.170 0.000 0.000 0.249 1302 I C 2.051 178.191 176.117 0.037 0.000 1.122 1302 I CA 1.174 62.500 61.300 0.043 0.000 1.431 1302 I CB -0.991 37.018 38.000 0.016 0.000 1.087 1302 I HN -0.087 nan 8.210 nan 0.000 0.424 1303 L N -1.416 119.848 121.223 0.068 0.000 2.640 1303 L HA 0.106 4.446 4.340 0.000 0.000 0.230 1303 L C 0.129 177.041 176.870 0.070 0.000 1.123 1303 L CA -0.287 54.579 54.840 0.042 0.000 0.900 1303 L CB -0.346 41.749 42.059 0.060 0.000 1.146 1303 L HN 0.076 nan 8.230 nan 0.000 0.484 1304 Y N 2.321 122.628 120.300 0.013 0.000 2.377 1304 Y HA 0.302 4.852 4.550 0.000 0.000 0.330 1304 Y C 0.155 176.037 175.900 -0.030 0.000 1.108 1304 Y CA -0.472 57.642 58.100 0.023 0.000 1.308 1304 Y CB 0.379 38.872 38.460 0.055 0.000 1.216 1304 Y HN 0.002 nan 8.280 nan 0.000 0.518 1305 R N 7.782 127.849 120.500 -0.720 0.000 2.439 1305 R HA 0.373 4.713 4.340 0.000 0.000 0.310 1305 R C -2.600 173.218 176.300 -0.804 0.000 0.955 1305 R CA -1.995 53.744 56.100 -0.602 0.000 0.853 1305 R CB 1.314 31.377 30.300 -0.395 0.000 1.171 1305 R HN 0.523 nan 8.270 nan 0.000 0.449 1306 P HA 0.060 nan 4.420 nan 0.000 0.270 1306 P C -0.816 176.430 177.300 -0.091 0.000 1.223 1306 P CA -0.249 62.706 63.100 -0.242 0.000 0.785 1306 P CB 0.706 32.423 31.700 0.030 0.000 0.923 1307 V N 0.637 120.531 119.914 -0.034 0.000 2.612 1307 V HA 0.552 4.672 4.120 0.000 0.000 0.301 1307 V C 0.100 176.208 176.094 0.023 0.000 1.059 1307 V CA -0.989 61.270 62.300 -0.069 0.000 0.886 1307 V CB 1.536 33.312 31.823 -0.077 0.000 1.007 1307 V HN 0.709 nan 8.190 nan 0.000 0.426 1308 A N 4.083 126.926 122.820 0.038 0.000 2.332 1308 A HA 0.773 5.093 4.320 0.000 0.000 0.258 1308 A C -0.318 177.278 177.584 0.021 0.000 1.087 1308 A CA -0.357 51.725 52.037 0.074 0.000 0.802 1308 A CB 0.925 20.000 19.000 0.125 0.000 1.042 1308 A HN 0.854 nan 8.150 nan 0.000 0.489 1309 V N 1.422 121.337 119.914 0.003 0.000 2.350 1309 V HA 0.572 4.693 4.120 0.000 0.000 0.285 1309 V C 0.376 176.399 176.094 -0.118 0.000 1.014 1309 V CA -0.158 62.119 62.300 -0.039 0.000 0.831 1309 V CB 0.789 32.595 31.823 -0.028 0.000 1.000 1309 V HN 1.111 nan 8.190 nan 0.000 0.433 1310 A N 5.309 128.005 122.820 -0.207 0.000 2.304 1310 A HA 0.805 5.126 4.320 0.000 0.000 0.323 1310 A C -0.738 176.527 177.584 -0.530 0.000 1.195 1310 A CA -0.529 51.196 52.037 -0.520 0.000 0.826 1310 A CB 1.040 19.483 19.000 -0.930 0.000 1.184 1310 A HN 0.899 nan 8.150 nan 0.000 0.496 1311 L N 2.884 123.789 121.223 -0.531 0.000 2.268 1311 L HA 0.317 4.657 4.340 0.000 0.000 0.289 1311 L C -0.636 176.001 176.870 -0.388 0.000 1.064 1311 L CA -0.341 54.248 54.840 -0.418 0.000 0.824 1311 L CB 0.544 42.338 42.059 -0.442 0.000 1.202 1311 L HN 0.668 nan 8.230 nan 0.000 0.433 1312 D N 3.743 124.040 120.400 -0.171 0.000 2.317 1312 D HA 0.148 4.789 4.640 0.000 0.000 0.234 1312 D C -0.258 176.121 176.300 0.133 0.000 1.112 1312 D CA -0.139 53.901 54.000 0.067 0.000 0.840 1312 D CB 1.435 42.379 40.800 0.240 0.000 1.078 1312 D HN 0.424 nan 8.370 nan 0.000 0.486 1313 T N 2.802 117.419 114.554 0.105 0.000 2.860 1313 T HA 0.097 4.447 4.350 0.000 0.000 0.299 1313 T C 1.585 176.401 174.700 0.194 0.000 1.045 1313 T CA -0.168 61.997 62.100 0.107 0.000 1.071 1313 T CB 1.160 70.075 68.868 0.078 0.000 0.985 1313 T HN 0.321 nan 8.240 nan 0.000 0.537 1314 K N 1.219 121.736 120.400 0.195 0.000 1.975 1314 K HA 0.313 4.633 4.320 0.000 0.000 0.210 1314 K C 1.227 177.935 176.600 0.180 0.000 1.041 1314 K CA 0.669 57.069 56.287 0.188 0.000 0.942 1314 K CB -0.533 32.067 32.500 0.166 0.000 0.729 1314 K HN 0.908 nan 8.250 nan 0.000 0.439 1315 G N 0.795 109.681 108.800 0.142 0.000 2.760 1315 G HA2 -0.155 3.806 3.960 0.000 0.000 0.246 1315 G HA3 -0.155 3.806 3.960 0.000 0.000 0.246 1315 G C -2.679 172.242 174.900 0.034 0.000 1.359 1315 G CA -0.715 44.465 45.100 0.134 0.000 0.861 1315 G HN 0.059 nan 8.290 nan 0.000 0.541 1316 P HA 0.188 nan 4.420 nan 0.000 0.238 1316 P C 0.006 177.069 177.300 -0.394 0.000 1.679 1316 P CA 0.999 64.011 63.100 -0.146 0.000 1.080 1316 P CB -0.550 31.086 31.700 -0.107 0.000 1.961 1317 E N 0.951 120.970 120.200 -0.301 0.000 2.277 1317 E HA 0.494 4.845 4.350 0.000 0.000 0.266 1317 E C -1.092 175.384 176.600 -0.206 0.000 0.901 1317 E CA -1.184 54.985 56.400 -0.385 0.000 0.782 1317 E CB 1.514 31.052 29.700 -0.270 0.000 1.228 1317 E HN 0.004 nan 8.360 nan 0.000 0.424 1318 I N 2.253 122.690 120.570 -0.222 0.000 2.331 1318 I HA 0.356 4.526 4.170 0.000 0.000 0.292 1318 I C 0.169 176.265 176.117 -0.034 0.000 0.998 1318 I CA -0.544 60.678 61.300 -0.129 0.000 1.267 1318 I CB 0.910 38.795 38.000 -0.192 0.000 1.386 1318 I HN 0.367 nan 8.210 nan 0.000 0.476 1319 R N 3.936 124.456 120.500 0.033 0.000 2.575 1319 R HA 0.359 4.700 4.340 0.000 0.000 0.293 1319 R C -0.125 176.287 176.300 0.187 0.000 0.983 1319 R CA -0.591 55.561 56.100 0.086 0.000 0.887 1319 R CB 2.436 32.777 30.300 0.068 0.000 1.184 1319 R HN 0.764 nan 8.270 nan 0.000 0.445 1320 T N -0.416 114.249 114.554 0.184 0.000 2.619 1320 T HA 0.275 4.625 4.350 0.000 0.000 0.330 1320 T C 0.855 175.793 174.700 0.396 0.000 1.037 1320 T CA -0.184 62.095 62.100 0.298 0.000 1.005 1320 T CB 0.765 69.762 68.868 0.215 0.000 1.084 1320 T HN 0.593 nan 8.240 nan 0.000 0.521 1321 G N -0.873 108.184 108.800 0.427 0.000 2.795 1321 G HA2 0.580 4.541 3.960 0.000 0.000 0.267 1321 G HA3 0.580 4.541 3.960 0.000 0.000 0.267 1321 G C -0.612 174.321 174.900 0.055 0.000 1.362 1321 G CA -1.315 43.864 45.100 0.132 0.000 1.048 1321 G HN 0.843 nan 8.290 nan 0.000 0.547 1322 L N 0.979 122.173 121.223 -0.048 0.000 2.360 1322 L HA 0.220 4.560 4.340 0.000 0.000 0.276 1322 L C 0.182 177.051 176.870 -0.002 0.000 1.121 1322 L CA -0.152 54.669 54.840 -0.033 0.000 0.845 1322 L CB 0.845 42.854 42.059 -0.084 0.000 1.143 1322 L HN 0.256 nan 8.230 nan 0.000 0.452 1323 I N 5.886 126.471 120.570 0.026 0.000 2.406 1323 I HA -0.009 4.162 4.170 0.000 0.000 0.293 1323 I C 0.431 176.556 176.117 0.013 0.000 1.101 1323 I CA -0.076 61.247 61.300 0.038 0.000 1.334 1323 I CB -0.088 37.947 38.000 0.059 0.000 1.421 1323 I HN 0.723 nan 8.210 nan 0.000 0.513 1324 K N 4.366 124.767 120.400 0.001 0.000 3.244 1324 K HA -0.195 4.125 4.320 0.000 0.000 0.270 1324 K C 0.918 177.497 176.600 -0.034 0.000 1.016 1324 K CA 0.410 56.687 56.287 -0.017 0.000 0.754 1324 K CB -2.097 30.401 32.500 -0.003 0.000 1.326 1324 K HN 1.067 nan 8.250 nan 0.000 0.465 1325 G N -0.264 108.503 108.800 -0.054 0.000 2.225 1325 G HA2 -0.434 3.526 3.960 0.000 0.000 0.272 1325 G HA3 -0.434 3.526 3.960 0.000 0.000 0.272 1325 G C 0.753 175.617 174.900 -0.059 0.000 0.996 1325 G CA 1.311 46.370 45.100 -0.068 0.000 0.710 1325 G HN 0.629 nan 8.290 nan 0.000 0.522 1326 S N -1.325 114.349 115.700 -0.043 0.000 2.356 1326 S HA 0.479 4.949 4.470 0.000 0.000 0.179 1326 S C 2.221 176.787 174.600 -0.055 0.000 0.940 1326 S CA 2.047 60.222 58.200 -0.042 0.000 0.955 1326 S CB -0.093 63.092 63.200 -0.024 0.000 0.861 1326 S HN 2.185 nan 8.310 nan 0.000 0.527 1327 G N -0.746 108.034 108.800 -0.034 0.000 2.259 1327 G HA2 -0.197 3.763 3.960 0.000 0.000 0.217 1327 G HA3 -0.197 3.763 3.960 0.000 0.000 0.217 1327 G C 0.892 175.763 174.900 -0.048 0.000 1.001 1327 G CA 0.876 45.953 45.100 -0.039 0.000 0.627 1327 G HN 0.748 nan 8.290 nan 0.000 0.501 1328 T N 0.155 114.680 114.554 -0.047 0.000 2.990 1328 T HA 0.636 4.986 4.350 0.000 0.000 0.250 1328 T C 1.346 176.038 174.700 -0.014 0.000 1.041 1328 T CA 1.168 63.244 62.100 -0.040 0.000 1.010 1328 T CB 0.626 69.471 68.868 -0.039 0.000 1.003 1328 T HN 1.463 nan 8.240 nan 0.000 0.499 1329 A N 1.580 124.399 122.820 -0.002 0.000 2.445 1329 A HA 0.495 4.815 4.320 0.000 0.000 0.242 1329 A C 0.233 177.847 177.584 0.051 0.000 1.075 1329 A CA -0.141 51.909 52.037 0.021 0.000 0.777 1329 A CB 0.334 19.346 19.000 0.020 0.000 1.013 1329 A HN 0.422 nan 8.150 nan 0.000 0.493 1330 E N -0.419 119.832 120.200 0.084 0.000 2.393 1330 E HA 0.745 5.095 4.350 0.000 0.000 0.265 1330 E C -1.613 175.107 176.600 0.199 0.000 0.941 1330 E CA -0.776 55.722 56.400 0.163 0.000 0.801 1330 E CB 2.352 32.174 29.700 0.203 0.000 1.313 1330 E HN 0.403 nan 8.360 nan 0.000 0.435 1331 V N 1.059 121.128 119.914 0.259 0.000 2.924 1331 V HA 0.139 4.259 4.120 0.000 0.000 0.300 1331 V C -1.254 174.801 176.094 -0.066 0.000 1.227 1331 V CA -0.693 61.685 62.300 0.130 0.000 0.954 1331 V CB 2.170 34.032 31.823 0.064 0.000 1.055 1331 V HN 0.621 nan 8.190 nan 0.000 0.429 1332 E N 3.848 123.878 120.200 -0.285 0.000 2.227 1332 E HA 0.618 4.968 4.350 0.000 0.000 0.282 1332 E C -1.415 174.989 176.600 -0.327 0.000 1.015 1332 E CA -0.471 55.504 56.400 -0.707 0.000 0.823 1332 E CB 1.182 30.394 29.700 -0.814 0.000 1.081 1332 E HN 0.515 nan 8.360 nan 0.000 0.396 1333 L N 4.430 125.473 121.223 -0.300 0.000 2.329 1333 L HA 0.472 4.812 4.340 0.000 0.000 0.279 1333 L C -0.144 176.638 176.870 -0.146 0.000 1.014 1333 L CA -0.884 53.863 54.840 -0.156 0.000 0.814 1333 L CB 1.558 43.561 42.059 -0.094 0.000 1.257 1333 L HN 0.391 nan 8.230 nan 0.000 0.424 1334 K N 2.144 122.488 120.400 -0.095 0.000 2.118 1334 K HA 0.398 4.718 4.320 0.000 0.000 0.254 1334 K C -0.622 175.952 176.600 -0.044 0.000 0.961 1334 K CA -1.023 55.222 56.287 -0.069 0.000 0.876 1334 K CB 2.226 34.694 32.500 -0.053 0.000 1.077 1334 K HN 0.377 nan 8.250 nan 0.000 0.440 1335 K N 0.227 120.608 120.400 -0.032 0.000 2.414 1335 K HA 0.005 4.325 4.320 0.000 0.000 0.272 1335 K C 0.857 177.447 176.600 -0.018 0.000 0.993 1335 K CA 1.299 57.573 56.287 -0.020 0.000 0.964 1335 K CB 0.134 32.628 32.500 -0.011 0.000 0.925 1335 K HN 0.764 nan 8.250 nan 0.000 0.487 1336 G N 1.684 110.475 108.800 -0.016 0.000 2.328 1336 G HA2 -0.376 3.584 3.960 0.000 0.000 0.256 1336 G HA3 -0.376 3.584 3.960 0.000 0.000 0.256 1336 G C 0.447 175.337 174.900 -0.015 0.000 1.014 1336 G CA 0.400 45.491 45.100 -0.014 0.000 0.620 1336 G HN 1.014 nan 8.290 nan 0.000 0.530 1337 A N -0.395 122.413 122.820 -0.019 0.000 2.339 1337 A HA 0.590 4.910 4.320 0.000 0.000 0.272 1337 A C 0.779 178.354 177.584 -0.016 0.000 1.182 1337 A CA 1.700 53.726 52.037 -0.018 0.000 0.819 1337 A CB 0.067 19.053 19.000 -0.023 0.000 1.115 1337 A HN 0.928 nan 8.150 nan 0.000 0.512 1338 T N -0.328 114.218 114.554 -0.013 0.000 2.912 1338 T HA 0.588 4.938 4.350 0.000 0.000 0.288 1338 T C -1.191 173.504 174.700 -0.007 0.000 1.030 1338 T CA -0.196 61.898 62.100 -0.010 0.000 1.020 1338 T CB 1.226 70.088 68.868 -0.009 0.000 1.056 1338 T HN 0.682 nan 8.240 nan 0.000 0.480 1339 L N 2.581 123.803 121.223 -0.003 0.000 2.513 1339 L HA 0.625 4.965 4.340 0.000 0.000 0.261 1339 L C -1.178 175.698 176.870 0.010 0.000 0.945 1339 L CA -0.747 54.096 54.840 0.004 0.000 0.848 1339 L CB 1.966 44.028 42.059 0.004 0.000 1.334 1339 L HN 0.634 nan 8.230 nan 0.000 0.407 1340 K N 4.802 125.208 120.400 0.010 0.000 2.235 1340 K HA 0.692 5.013 4.320 0.000 0.000 0.266 1340 K C -1.234 175.380 176.600 0.022 0.000 0.980 1340 K CA -0.412 55.884 56.287 0.015 0.000 0.849 1340 K CB 1.044 33.524 32.500 -0.033 0.000 1.098 1340 K HN 0.661 nan 8.250 nan 0.000 0.445 1341 I N 3.933 124.527 120.570 0.040 0.000 2.365 1341 I HA 0.225 4.395 4.170 0.000 0.000 0.291 1341 I C -0.381 175.740 176.117 0.006 0.000 1.004 1341 I CA -0.152 61.154 61.300 0.009 0.000 1.311 1341 I CB 1.817 39.807 38.000 -0.016 0.000 1.401 1341 I HN 0.693 nan 8.210 nan 0.000 0.491 1342 T N 5.730 120.248 114.554 -0.059 0.000 2.906 1342 T HA 0.450 4.801 4.350 0.000 0.000 0.295 1342 T C 0.271 174.812 174.700 -0.265 0.000 1.061 1342 T CA -0.580 61.463 62.100 -0.096 0.000 1.000 1342 T CB 2.181 70.966 68.868 -0.138 0.000 1.103 1342 T HN 0.213 nan 8.240 nan 0.000 0.486 1343 L N 0.632 121.728 121.223 -0.210 0.000 2.693 1343 L HA 0.298 4.638 4.340 0.000 0.000 0.235 1343 L C 0.778 177.666 176.870 0.030 0.000 1.127 1343 L CA 0.181 54.848 54.840 -0.289 0.000 0.914 1343 L CB -0.053 41.891 42.059 -0.191 0.000 1.193 1343 L HN 0.641 nan 8.230 nan 0.000 0.502 1344 D N 0.355 120.829 120.400 0.123 0.000 2.346 1344 D HA -0.056 4.584 4.640 0.000 0.000 0.267 1344 D C 1.104 177.751 176.300 0.578 0.000 1.320 1344 D CA 0.457 54.614 54.000 0.263 0.000 0.951 1344 D CB 0.178 41.023 40.800 0.075 0.000 1.079 1344 D HN 0.241 nan 8.370 nan 0.000 0.509 1345 N N 2.788 121.791 118.700 0.505 0.000 2.132 1345 N HA -0.241 4.499 4.740 0.000 0.000 0.191 1345 N C 1.176 176.776 175.510 0.149 0.000 1.015 1345 N CA 1.021 54.280 53.050 0.348 0.000 0.864 1345 N CB 0.007 38.614 38.487 0.200 0.000 1.006 1345 N HN 0.443 nan 8.380 nan 0.000 0.430 1346 A N -0.460 122.506 122.820 0.242 0.000 2.207 1346 A HA -0.074 4.246 4.320 0.000 0.000 0.205 1346 A C 0.356 177.934 177.584 -0.011 0.000 1.310 1346 A CA 0.771 52.874 52.037 0.111 0.000 0.926 1346 A CB -0.441 18.627 19.000 0.113 0.000 0.778 1346 A HN 0.410 nan 8.150 nan 0.000 0.497 1347 Y N -2.901 117.390 120.300 -0.014 0.000 2.459 1347 Y HA 0.117 4.667 4.550 0.000 0.000 0.271 1347 Y C 1.817 177.616 175.900 -0.168 0.000 1.063 1347 Y CA 0.045 58.149 58.100 0.006 0.000 1.216 1347 Y CB -0.450 38.117 38.460 0.178 0.000 1.335 1347 Y HN 0.348 nan 8.280 nan 0.000 0.550 1348 M N 0.710 120.033 119.600 -0.461 0.000 2.152 1348 M HA -0.348 4.132 4.480 0.000 0.000 0.251 1348 M C 0.595 176.526 176.300 -0.615 0.000 1.080 1348 M CA 2.425 56.949 55.300 -1.293 0.000 1.079 1348 M CB -0.097 31.731 32.600 -1.285 0.000 1.317 1348 M HN 0.279 nan 8.290 nan 0.000 0.404 1349 E N -0.329 119.662 120.200 -0.350 0.000 2.499 1349 E HA 0.120 4.470 4.350 0.000 0.000 0.199 1349 E C -0.355 176.169 176.600 -0.127 0.000 1.016 1349 E CA -0.079 56.195 56.400 -0.211 0.000 0.933 1349 E CB 0.430 30.017 29.700 -0.188 0.000 1.050 1349 E HN 0.552 nan 8.360 nan 0.000 0.462 1350 K N 0.399 120.743 120.400 -0.094 0.000 3.084 1350 K HA 0.256 4.576 4.320 0.000 0.000 0.210 1350 K C -0.380 176.251 176.600 0.052 0.000 1.137 1350 K CA -0.329 55.925 56.287 -0.055 0.000 1.010 1350 K CB 0.482 32.889 32.500 -0.154 0.000 0.806 1350 K HN 0.012 nan 8.250 nan 0.000 0.460 1351 C N 1.901 121.247 119.300 0.076 0.000 2.705 1351 C HA 0.278 4.738 4.460 0.000 0.000 0.348 1351 C C 0.710 175.758 174.990 0.097 0.000 1.386 1351 C CA -0.013 59.085 59.018 0.133 0.000 2.361 1351 C CB -0.257 27.573 27.740 0.150 0.000 2.486 1351 C HN 0.846 nan 8.230 nan 0.000 0.728 1352 D N -2.335 118.127 120.400 0.102 0.000 2.890 1352 D HA 0.078 4.718 4.640 0.000 0.000 0.306 1352 D C 0.553 176.890 176.300 0.061 0.000 1.280 1352 D CA -0.330 53.713 54.000 0.072 0.000 0.742 1352 D CB -0.035 40.801 40.800 0.060 0.000 1.266 1352 D HN 0.503 nan 8.370 nan 0.000 0.433 1353 E N 0.774 120.996 120.200 0.037 0.000 2.219 1353 E HA -0.282 4.068 4.350 0.000 0.000 0.198 1353 E C 0.383 176.997 176.600 0.023 0.000 0.998 1353 E CA 1.902 58.311 56.400 0.016 0.000 0.818 1353 E CB -0.571 29.126 29.700 -0.005 0.000 0.741 1353 E HN 0.581 nan 8.360 nan 0.000 0.477 1354 N N -0.001 118.723 118.700 0.040 0.000 2.436 1354 N HA 0.216 4.956 4.740 0.000 0.000 0.178 1354 N C 0.451 175.992 175.510 0.051 0.000 1.026 1354 N CA 0.350 53.423 53.050 0.039 0.000 0.880 1354 N CB 0.554 39.067 38.487 0.043 0.000 1.061 1354 N HN 0.081 nan 8.380 nan 0.000 0.434 1355 I N 1.161 121.787 120.570 0.093 0.000 2.530 1355 I HA 0.380 4.551 4.170 0.000 0.000 0.297 1355 I C -1.344 174.859 176.117 0.145 0.000 1.011 1355 I CA -0.953 60.418 61.300 0.119 0.000 1.107 1355 I CB 2.230 40.371 38.000 0.235 0.000 1.285 1355 I HN -0.060 nan 8.210 nan 0.000 0.436 1356 L N 6.080 127.381 121.223 0.131 0.000 2.504 1356 L HA 0.413 4.753 4.340 0.000 0.000 0.265 1356 L C -1.255 175.731 176.870 0.192 0.000 0.975 1356 L CA -0.175 54.763 54.840 0.162 0.000 0.864 1356 L CB 1.353 43.471 42.059 0.098 0.000 1.212 1356 L HN 0.676 nan 8.230 nan 0.000 0.416 1357 W N 5.840 127.181 121.300 0.068 0.000 2.215 1357 W HA 0.630 5.290 4.660 0.000 0.000 0.342 1357 W C -1.258 175.295 176.519 0.056 0.000 1.237 1357 W CA -0.201 57.183 57.345 0.064 0.000 1.283 1357 W CB 0.982 30.505 29.460 0.104 0.000 1.131 1357 W HN 0.457 nan 8.180 nan 0.000 0.606 1358 L N 3.354 123.955 121.223 -1.036 0.000 2.415 1358 L HA 0.170 4.510 4.340 0.000 0.000 0.256 1358 L C 0.693 176.731 176.870 -1.387 0.000 1.010 1358 L CA -0.584 53.769 54.840 -0.811 0.000 0.826 1358 L CB 1.950 43.764 42.059 -0.409 0.000 1.405 1358 L HN 0.561 nan 8.230 nan 0.000 0.410 1359 D N 0.385 120.550 120.400 -0.392 0.000 2.219 1359 D HA -0.167 4.473 4.640 0.000 0.000 0.205 1359 D C -0.353 175.936 176.300 -0.018 0.000 0.970 1359 D CA 1.255 55.230 54.000 -0.041 0.000 0.851 1359 D CB 0.359 41.223 40.800 0.106 0.000 0.943 1359 D HN 0.328 nan 8.370 nan 0.000 0.488 1360 Y N 2.220 122.385 120.300 -0.226 0.000 2.676 1360 Y HA 0.109 4.659 4.550 0.000 0.000 0.338 1360 Y C 0.815 176.613 175.900 -0.170 0.000 1.057 1360 Y CA -0.900 57.105 58.100 -0.159 0.000 1.314 1360 Y CB 0.396 38.772 38.460 -0.140 0.000 1.164 1360 Y HN -0.337 nan 8.280 nan 0.000 0.509 1361 K N 2.333 122.511 120.400 -0.370 0.000 2.585 1361 K HA -0.156 4.165 4.320 0.000 0.000 0.194 1361 K C 1.064 177.397 176.600 -0.445 0.000 1.037 1361 K CA 0.676 56.757 56.287 -0.342 0.000 0.964 1361 K CB -0.109 32.264 32.500 -0.212 0.000 0.787 1361 K HN 0.676 nan 8.250 nan 0.000 0.488 1362 N N 0.420 118.635 118.700 -0.809 0.000 2.181 1362 N HA 0.013 4.753 4.740 0.000 0.000 0.207 1362 N C 1.375 176.627 175.510 -0.429 0.000 1.182 1362 N CA -0.096 52.566 53.050 -0.646 0.000 0.893 1362 N CB 0.557 38.587 38.487 -0.763 0.000 1.032 1362 N HN 0.020 nan 8.380 nan 0.000 0.513 1363 I N 1.426 121.789 120.570 -0.345 0.000 2.290 1363 I HA -0.335 3.835 4.170 0.000 0.000 0.253 1363 I C 1.404 177.521 176.117 0.000 0.000 1.112 1363 I CA 1.219 62.600 61.300 0.136 0.000 1.377 1363 I CB -0.374 37.771 38.000 0.241 0.000 1.060 1363 I HN 0.313 nan 8.210 nan 0.000 0.428 1364 C N 0.590 119.824 119.300 -0.109 0.000 2.432 1364 C HA -0.101 4.359 4.460 0.000 0.000 0.280 1364 C C 2.535 177.462 174.990 -0.105 0.000 1.353 1364 C CA 0.648 59.585 59.018 -0.135 0.000 1.766 1364 C CB -0.915 26.706 27.740 -0.198 0.000 1.924 1364 C HN 0.466 nan 8.230 nan 0.000 0.509 1365 K N -0.019 120.326 120.400 -0.091 0.000 2.186 1365 K HA -0.004 4.316 4.320 0.000 0.000 0.202 1365 K C 1.796 178.385 176.600 -0.019 0.000 1.052 1365 K CA 0.669 56.917 56.287 -0.064 0.000 0.965 1365 K CB -0.153 32.301 32.500 -0.077 0.000 0.746 1365 K HN 0.348 nan 8.250 nan 0.000 0.457 1366 V N 0.765 120.695 119.914 0.027 0.000 3.541 1366 V HA 0.088 4.208 4.120 0.000 0.000 0.267 1366 V C 0.058 176.167 176.094 0.024 0.000 1.213 1366 V CA 0.170 62.505 62.300 0.059 0.000 1.149 1366 V CB 0.636 32.553 31.823 0.158 0.000 0.822 1366 V HN 0.015 nan 8.190 nan 0.000 0.462 1367 V N 1.599 121.513 119.914 -0.001 0.000 2.735 1367 V HA 0.558 4.678 4.120 0.000 0.000 0.310 1367 V C -1.119 174.952 176.094 -0.037 0.000 1.061 1367 V CA -0.799 61.490 62.300 -0.018 0.000 0.913 1367 V CB 2.104 33.913 31.823 -0.023 0.000 1.005 1367 V HN 0.545 nan 8.190 nan 0.000 0.428 1368 D N 4.616 124.996 120.400 -0.033 0.000 2.385 1368 D HA 0.400 5.041 4.640 0.000 0.000 0.254 1368 D C -0.103 176.172 176.300 -0.041 0.000 1.053 1368 D CA -0.483 53.494 54.000 -0.038 0.000 0.992 1368 D CB 1.952 42.735 40.800 -0.029 0.000 1.145 1368 D HN 0.377 nan 8.370 nan 0.000 0.523 1369 V N 0.328 120.218 119.914 -0.041 0.000 2.673 1369 V HA 0.347 4.467 4.120 0.000 0.000 0.303 1369 V C 1.632 177.709 176.094 -0.028 0.000 1.046 1369 V CA 1.574 63.853 62.300 -0.036 0.000 1.126 1369 V CB 0.283 32.087 31.823 -0.031 0.000 0.934 1369 V HN 1.042 nan 8.190 nan 0.000 0.487 1370 G N 3.686 112.469 108.800 -0.029 0.000 2.299 1370 G HA2 -0.268 3.692 3.960 0.000 0.000 0.237 1370 G HA3 -0.268 3.692 3.960 0.000 0.000 0.237 1370 G C 0.569 175.450 174.900 -0.032 0.000 1.027 1370 G CA 0.200 45.285 45.100 -0.026 0.000 0.619 1370 G HN 0.777 nan 8.290 nan 0.000 0.513 1371 S N 0.416 116.096 115.700 -0.034 0.000 2.589 1371 S HA 0.445 4.915 4.470 0.000 0.000 0.256 1371 S C 0.399 174.957 174.600 -0.070 0.000 1.383 1371 S CA 0.594 58.771 58.200 -0.038 0.000 0.983 1371 S CB 0.800 63.981 63.200 -0.032 0.000 0.908 1371 S HN 0.561 nan 8.310 nan 0.000 0.572 1372 K N 0.383 120.727 120.400 -0.093 0.000 2.259 1372 K HA 0.628 4.948 4.320 0.000 0.000 0.252 1372 K C -1.549 174.886 176.600 -0.276 0.000 0.936 1372 K CA -0.435 55.717 56.287 -0.225 0.000 0.810 1372 K CB 1.777 34.096 32.500 -0.301 0.000 1.143 1372 K HN 0.279 nan 8.250 nan 0.000 0.427 1373 V N 3.968 123.670 119.914 -0.355 0.000 2.487 1373 V HA 0.374 4.494 4.120 0.000 0.000 0.298 1373 V C -1.305 174.571 176.094 -0.363 0.000 1.028 1373 V CA -0.857 61.297 62.300 -0.243 0.000 0.860 1373 V CB 0.911 32.662 31.823 -0.120 0.000 0.991 1373 V HN 0.606 nan 8.190 nan 0.000 0.427 1374 Y N 3.261 123.566 120.300 0.009 0.000 2.341 1374 Y HA 0.648 5.198 4.550 0.000 0.000 0.337 1374 Y C 0.117 176.034 175.900 0.029 0.000 1.014 1374 Y CA -0.710 57.403 58.100 0.021 0.000 1.111 1374 Y CB 1.966 40.442 38.460 0.026 0.000 1.194 1374 Y HN 0.364 nan 8.280 nan 0.000 0.462 1375 V N 3.016 123.040 119.914 0.184 0.000 2.555 1375 V HA 0.271 4.391 4.120 0.000 0.000 0.302 1375 V C -0.561 175.625 176.094 0.154 0.000 1.038 1375 V CA -1.093 61.291 62.300 0.140 0.000 0.887 1375 V CB 1.557 33.436 31.823 0.094 0.000 0.991 1375 V HN 0.829 nan 8.190 nan 0.000 0.434 1376 D N 3.815 124.301 120.400 0.144 0.000 3.133 1376 D HA -0.155 4.485 4.640 0.000 0.000 0.239 1376 D C 0.267 176.645 176.300 0.131 0.000 1.136 1376 D CA 0.932 55.017 54.000 0.141 0.000 0.898 1376 D CB -0.777 40.106 40.800 0.139 0.000 0.959 1376 D HN 0.890 nan 8.370 nan 0.000 0.415 1377 D N 0.166 120.640 120.400 0.124 0.000 2.737 1377 D HA -0.162 4.478 4.640 0.000 0.000 0.233 1377 D C 1.288 177.626 176.300 0.063 0.000 1.155 1377 D CA 2.478 56.530 54.000 0.087 0.000 0.667 1377 D CB -1.399 39.445 40.800 0.073 0.000 1.060 1377 D HN 1.018 nan 8.370 nan 0.000 0.427 1378 G N -1.363 107.503 108.800 0.110 0.000 2.157 1378 G HA2 -0.380 3.580 3.960 0.000 0.000 0.248 1378 G HA3 -0.380 3.580 3.960 0.000 0.000 0.248 1378 G C 0.915 175.916 174.900 0.169 0.000 0.979 1378 G CA 0.615 45.785 45.100 0.118 0.000 0.650 1378 G HN 0.528 nan 8.290 nan 0.000 0.529 1379 L N 0.464 121.776 121.223 0.147 0.000 2.017 1379 L HA 0.317 4.657 4.340 0.000 0.000 0.208 1379 L C 1.235 178.185 176.870 0.134 0.000 1.073 1379 L CA 1.736 56.652 54.840 0.127 0.000 0.745 1379 L CB -0.059 42.072 42.059 0.120 0.000 0.894 1379 L HN 0.345 nan 8.230 nan 0.000 0.432 1380 I N 0.101 120.758 120.570 0.145 0.000 2.406 1380 I HA 0.239 4.409 4.170 0.000 0.000 0.290 1380 I C -0.167 176.002 176.117 0.087 0.000 0.999 1380 I CA -0.261 61.099 61.300 0.100 0.000 1.124 1380 I CB 1.223 39.261 38.000 0.062 0.000 1.289 1380 I HN 0.022 nan 8.210 nan 0.000 0.441 1381 S N 7.591 123.305 115.700 0.024 0.000 2.429 1381 S HA 0.707 5.177 4.470 0.000 0.000 0.302 1381 S C -0.747 173.756 174.600 -0.162 0.000 1.115 1381 S CA -0.514 57.597 58.200 -0.148 0.000 1.095 1381 S CB 0.360 63.527 63.200 -0.055 0.000 0.987 1381 S HN 0.459 nan 8.310 nan 0.000 0.474 1382 L N 4.610 125.688 121.223 -0.242 0.000 2.333 1382 L HA 0.544 4.885 4.340 0.000 0.000 0.280 1382 L C -0.116 176.649 176.870 -0.176 0.000 1.004 1382 L CA -0.620 54.127 54.840 -0.155 0.000 0.820 1382 L CB 1.836 43.834 42.059 -0.102 0.000 1.247 1382 L HN 0.647 nan 8.230 nan 0.000 0.416 1383 Q N 2.666 122.398 119.800 -0.114 0.000 2.314 1383 Q HA 0.407 4.747 4.340 0.000 0.000 0.259 1383 Q C -1.033 174.929 176.000 -0.062 0.000 0.951 1383 Q CA -0.697 55.051 55.803 -0.092 0.000 0.909 1383 Q CB 1.772 30.471 28.738 -0.065 0.000 1.236 1383 Q HN 0.477 nan 8.270 nan 0.000 0.444 1384 V N 5.917 125.794 119.914 -0.060 0.000 2.493 1384 V HA -0.059 4.061 4.120 0.000 0.000 0.292 1384 V C 0.865 176.943 176.094 -0.027 0.000 1.016 1384 V CA 0.421 62.696 62.300 -0.042 0.000 1.097 1384 V CB 0.508 32.301 31.823 -0.049 0.000 0.947 1384 V HN 0.876 nan 8.190 nan 0.000 0.479 1385 K N 3.566 123.960 120.400 -0.010 0.000 2.214 1385 K HA 0.143 4.463 4.320 0.000 0.000 0.201 1385 K C 0.578 177.184 176.600 0.010 0.000 1.049 1385 K CA 0.664 56.951 56.287 0.000 0.000 0.978 1385 K CB 0.408 32.913 32.500 0.009 0.000 0.842 1385 K HN 0.937 nan 8.250 nan 0.000 0.474 1386 Q N 0.553 120.369 119.800 0.027 0.000 2.426 1386 Q HA 0.407 4.747 4.340 0.000 0.000 0.278 1386 Q C -1.727 174.277 176.000 0.006 0.000 1.007 1386 Q CA -0.979 54.845 55.803 0.035 0.000 0.850 1386 Q CB 2.044 30.826 28.738 0.073 0.000 1.427 1386 Q HN -0.069 nan 8.270 nan 0.000 0.391 1387 K N 0.103 120.432 120.400 -0.119 0.000 2.435 1387 K HA 0.917 5.237 4.320 0.000 0.000 0.251 1387 K C -0.701 175.546 176.600 -0.587 0.000 0.954 1387 K CA -0.639 55.420 56.287 -0.381 0.000 0.820 1387 K CB 2.265 34.602 32.500 -0.272 0.000 1.292 1387 K HN 0.729 nan 8.250 nan 0.000 0.436 1388 G N 0.177 108.295 108.800 -1.138 0.000 3.243 1388 G HA2 0.486 4.446 3.960 0.000 0.000 0.248 1388 G HA3 0.486 4.446 3.960 0.000 0.000 0.248 1388 G C -2.075 172.486 174.900 -0.564 0.000 1.267 1388 G CA -1.234 43.352 45.100 -0.858 0.000 0.906 1388 G HN 0.470 nan 8.290 nan 0.000 0.592 1389 P HA 0.042 nan 4.420 nan 0.000 0.214 1389 P C 0.624 177.812 177.300 -0.188 0.000 1.162 1389 P CA 1.177 64.164 63.100 -0.188 0.000 0.871 1389 P CB 0.443 32.095 31.700 -0.079 0.000 0.783 1390 D N -0.769 119.568 120.400 -0.105 0.000 2.120 1390 D HA 0.042 4.683 4.640 0.000 0.000 0.202 1390 D C 0.876 177.180 176.300 0.008 0.000 0.972 1390 D CA 0.935 54.942 54.000 0.011 0.000 0.837 1390 D CB -0.175 40.757 40.800 0.221 0.000 0.989 1390 D HN 0.216 nan 8.370 nan 0.000 0.469 1391 F N -1.203 118.688 119.950 -0.099 0.000 2.679 1391 F HA 0.645 5.172 4.527 0.000 0.000 0.341 1391 F C -1.172 174.576 175.800 -0.088 0.000 1.095 1391 F CA -1.341 56.594 58.000 -0.108 0.000 1.004 1391 F CB 0.798 39.735 39.000 -0.105 0.000 1.388 1391 F HN -0.378 nan 8.300 nan 0.000 0.505 1392 L N 2.135 123.445 121.223 0.145 0.000 2.408 1392 L HA 0.568 4.908 4.340 0.000 0.000 0.268 1392 L C -0.905 176.106 176.870 0.235 0.000 0.986 1392 L CA -0.942 53.935 54.840 0.062 0.000 0.820 1392 L CB 1.699 43.739 42.059 -0.032 0.000 1.303 1392 L HN 0.608 nan 8.230 nan 0.000 0.411 1393 V N 2.008 122.044 119.914 0.204 0.000 2.334 1393 V HA 0.581 4.701 4.120 0.000 0.000 0.281 1393 V C 0.358 176.485 176.094 0.055 0.000 1.016 1393 V CA -0.332 62.056 62.300 0.145 0.000 0.832 1393 V CB 1.685 33.614 31.823 0.178 0.000 0.999 1393 V HN 0.963 nan 8.190 nan 0.000 0.439 1394 T N 1.906 116.476 114.554 0.027 0.000 2.924 1394 T HA 0.735 5.085 4.350 0.000 0.000 0.291 1394 T C -0.665 174.030 174.700 -0.008 0.000 1.045 1394 T CA -0.742 61.356 62.100 -0.003 0.000 1.015 1394 T CB 2.250 71.105 68.868 -0.020 0.000 1.103 1394 T HN 0.742 nan 8.240 nan 0.000 0.496 1395 E N 1.564 121.753 120.200 -0.018 0.000 2.183 1395 E HA 0.559 4.909 4.350 0.000 0.000 0.271 1395 E C -1.135 175.448 176.600 -0.029 0.000 0.919 1395 E CA -1.068 55.321 56.400 -0.019 0.000 0.781 1395 E CB 1.737 31.427 29.700 -0.017 0.000 1.140 1395 E HN 0.503 nan 8.360 nan 0.000 0.402 1396 V N 4.679 124.577 119.914 -0.026 0.000 2.439 1396 V HA -0.005 4.115 4.120 0.000 0.000 0.271 1396 V C 1.207 177.285 176.094 -0.026 0.000 1.040 1396 V CA 0.305 62.588 62.300 -0.029 0.000 1.002 1396 V CB 0.754 32.560 31.823 -0.028 0.000 1.000 1396 V HN 0.959 nan 8.190 nan 0.000 0.477 1397 E N 4.407 124.589 120.200 -0.030 0.000 2.299 1397 E HA -0.008 4.342 4.350 0.000 0.000 0.193 1397 E C 0.557 177.154 176.600 -0.005 0.000 0.998 1397 E CA 0.346 56.734 56.400 -0.020 0.000 0.851 1397 E CB 0.364 30.044 29.700 -0.032 0.000 0.795 1397 E HN 0.916 nan 8.360 nan 0.000 0.492 1398 N N -0.727 117.972 118.700 -0.002 0.000 2.308 1398 N HA 0.223 4.963 4.740 0.000 0.000 0.283 1398 N C -0.371 175.139 175.510 -0.001 0.000 1.105 1398 N CA -0.638 52.418 53.050 0.009 0.000 0.840 1398 N CB 1.542 40.047 38.487 0.032 0.000 1.633 1398 N HN -0.015 nan 8.380 nan 0.000 0.476 1399 G N -0.491 108.304 108.800 -0.008 0.000 2.572 1399 G HA2 0.633 4.593 3.960 0.000 0.000 0.261 1399 G HA3 0.633 4.593 3.960 0.000 0.000 0.261 1399 G C 0.137 175.018 174.900 -0.033 0.000 1.197 1399 G CA 0.069 45.146 45.100 -0.038 0.000 0.870 1399 G HN 0.913 nan 8.290 nan 0.000 0.548 1400 G N -1.477 107.257 108.800 -0.110 0.000 2.320 1400 G HA2 0.381 4.341 3.960 0.000 0.000 0.297 1400 G HA3 0.381 4.341 3.960 0.000 0.000 0.297 1400 G C -1.423 173.337 174.900 -0.233 0.000 1.344 1400 G CA -1.086 43.969 45.100 -0.075 0.000 0.851 1400 G HN 0.479 nan 8.290 nan 0.000 0.567 1401 F N 0.304 120.278 119.950 0.040 0.000 2.421 1401 F HA 0.555 5.082 4.527 0.000 0.000 0.358 1401 F C 0.571 176.400 175.800 0.048 0.000 1.115 1401 F CA -0.380 57.644 58.000 0.039 0.000 1.160 1401 F CB 1.650 40.671 39.000 0.035 0.000 1.123 1401 F HN 0.368 nan 8.300 nan 0.000 0.508 1402 L N 4.782 126.088 121.223 0.138 0.000 2.265 1402 L HA 0.763 5.103 4.340 0.000 0.000 0.289 1402 L C 0.047 177.009 176.870 0.153 0.000 1.033 1402 L CA 0.199 55.114 54.840 0.124 0.000 0.814 1402 L CB 0.570 42.669 42.059 0.066 0.000 1.203 1402 L HN 0.589 nan 8.230 nan 0.000 0.423 1403 G N 2.617 111.508 108.800 0.151 0.000 2.828 1403 G HA2 0.601 4.561 3.960 0.000 0.000 0.244 1403 G HA3 0.601 4.561 3.960 0.000 0.000 0.244 1403 G C -1.012 173.964 174.900 0.127 0.000 1.365 1403 G CA -0.449 44.732 45.100 0.134 0.000 1.041 1403 G HN 0.678 nan 8.290 nan 0.000 0.560 1404 S N -0.201 115.571 115.700 0.120 0.000 2.617 1404 S HA 0.423 4.893 4.470 0.000 0.000 0.283 1404 S C -0.009 174.704 174.600 0.188 0.000 1.189 1404 S CA -0.727 57.548 58.200 0.125 0.000 1.036 1404 S CB 1.578 64.825 63.200 0.079 0.000 1.014 1404 S HN 0.566 nan 8.310 nan 0.000 0.522 1405 K N -0.059 120.429 120.400 0.145 0.000 3.078 1405 K HA -0.152 4.168 4.320 0.000 0.000 0.261 1405 K C -0.433 176.221 176.600 0.090 0.000 0.947 1405 K CA 0.591 56.939 56.287 0.102 0.000 0.702 1405 K CB -0.970 31.561 32.500 0.052 0.000 1.318 1405 K HN 0.434 nan 8.250 nan 0.000 0.473 1406 K N 0.021 120.509 120.400 0.148 0.000 2.149 1406 K HA 0.239 4.559 4.320 0.000 0.000 0.245 1406 K C 0.948 177.615 176.600 0.112 0.000 1.024 1406 K CA 0.012 56.390 56.287 0.153 0.000 0.899 1406 K CB 0.472 33.066 32.500 0.155 0.000 1.038 1406 K HN 0.327 nan 8.250 nan 0.000 0.496 1407 G N -0.268 108.605 108.800 0.122 0.000 2.332 1407 G HA2 0.471 4.431 3.960 0.000 0.000 0.310 1407 G HA3 0.471 4.431 3.960 0.000 0.000 0.310 1407 G C -0.966 173.997 174.900 0.104 0.000 1.123 1407 G CA -0.505 44.661 45.100 0.109 0.000 0.873 1407 G HN 0.200 nan 8.290 nan 0.000 0.460 1408 V N 3.571 123.524 119.914 0.065 0.000 2.370 1408 V HA 0.326 4.446 4.120 0.000 0.000 0.283 1408 V C -0.315 175.807 176.094 0.046 0.000 1.023 1408 V CA -1.019 61.314 62.300 0.055 0.000 0.857 1408 V CB 1.182 33.012 31.823 0.012 0.000 0.985 1408 V HN 0.699 nan 8.190 nan 0.000 0.443 1409 N N 5.366 124.140 118.700 0.124 0.000 2.479 1409 N HA 0.350 5.090 4.740 0.000 0.000 0.261 1409 N C -1.257 174.364 175.510 0.186 0.000 0.979 1409 N CA -0.659 52.466 53.050 0.124 0.000 0.930 1409 N CB 2.254 40.811 38.487 0.115 0.000 1.172 1409 N HN 0.324 nan 8.380 nan 0.000 0.499 1410 L N 4.392 125.659 121.223 0.073 0.000 2.556 1410 L HA 0.348 4.688 4.340 0.000 0.000 0.245 1410 L C -2.055 174.854 176.870 0.066 0.000 1.174 1410 L CA -2.198 52.679 54.840 0.063 0.000 1.117 1410 L CB -0.509 41.533 42.059 -0.027 0.000 1.409 1410 L HN 0.255 nan 8.230 nan 0.000 0.411 1411 P HA 0.174 nan 4.420 nan 0.000 0.264 1411 P C 0.791 178.122 177.300 0.051 0.000 1.193 1411 P CA 0.229 63.376 63.100 0.078 0.000 0.763 1411 P CB 0.675 32.424 31.700 0.081 0.000 0.810 1412 G N 1.773 110.584 108.800 0.017 0.000 2.333 1412 G HA2 0.070 4.031 3.960 0.000 0.000 0.296 1412 G HA3 0.070 4.031 3.960 0.000 0.000 0.296 1412 G C 0.009 174.909 174.900 0.000 0.000 1.059 1412 G CA 0.009 45.108 45.100 -0.002 0.000 1.050 1412 G HN 0.879 nan 8.290 nan 0.000 0.508 1413 A N -0.550 122.268 122.820 -0.004 0.000 2.459 1413 A HA 0.977 5.297 4.320 0.000 0.000 0.296 1413 A C 0.271 177.847 177.584 -0.014 0.000 1.039 1413 A CA 0.331 52.365 52.037 -0.006 0.000 0.698 1413 A CB 1.336 20.334 19.000 -0.004 0.000 1.261 1413 A HN 2.158 nan 8.150 nan 0.000 0.405 1414 A N 2.108 124.928 122.820 0.000 0.000 2.639 1414 A HA 0.470 4.791 4.320 0.000 0.000 0.295 1414 A C 0.424 178.019 177.584 0.019 0.000 1.443 1414 A CA 0.256 52.297 52.037 0.007 0.000 1.117 1414 A CB -1.399 17.610 19.000 0.016 0.000 1.098 1414 A HN 1.827 nan 8.150 nan 0.000 0.552 1415 V N 1.339 121.234 119.914 -0.032 0.000 2.383 1415 V HA 0.416 4.536 4.120 0.000 0.000 0.275 1415 V C 0.012 176.099 176.094 -0.012 0.000 1.036 1415 V CA -0.691 61.568 62.300 -0.070 0.000 0.889 1415 V CB 1.366 33.001 31.823 -0.314 0.000 0.985 1415 V HN 0.716 nan 8.190 nan 0.000 0.459 1416 D N 3.847 124.290 120.400 0.072 0.000 2.706 1416 D HA 0.216 4.856 4.640 0.000 0.000 0.236 1416 D C 0.134 176.469 176.300 0.058 0.000 1.231 1416 D CA -0.345 53.692 54.000 0.061 0.000 0.828 1416 D CB -0.035 40.811 40.800 0.076 0.000 1.015 1416 D HN 0.553 nan 8.370 nan 0.000 0.484 1417 L N 0.712 121.945 121.223 0.017 0.000 2.417 1417 L HA 0.307 4.647 4.340 0.000 0.000 0.268 1417 L C -1.782 175.095 176.870 0.013 0.000 1.158 1417 L CA -1.687 53.161 54.840 0.014 0.000 0.819 1417 L CB 0.257 42.288 42.059 -0.046 0.000 1.112 1417 L HN -0.052 nan 8.230 nan 0.000 0.458 1418 P HA 0.140 nan 4.420 nan 0.000 0.280 1418 P C 0.032 177.351 177.300 0.031 0.000 1.244 1418 P CA -0.435 62.684 63.100 0.031 0.000 0.784 1418 P CB 1.386 33.108 31.700 0.038 0.000 0.913 1419 A N 3.445 126.288 122.820 0.038 0.000 1.892 1419 A HA -0.077 4.243 4.320 0.000 0.000 0.218 1419 A C 0.927 178.542 177.584 0.052 0.000 1.188 1419 A CA 1.628 53.693 52.037 0.047 0.000 0.631 1419 A CB -0.735 18.292 19.000 0.046 0.000 0.822 1419 A HN 0.434 nan 8.150 nan 0.000 0.447 1420 V N 1.070 121.013 119.914 0.049 0.000 2.327 1420 V HA 0.242 4.362 4.120 0.000 0.000 0.272 1420 V C -0.114 176.012 176.094 0.053 0.000 1.019 1420 V CA -0.690 61.642 62.300 0.052 0.000 0.814 1420 V CB 0.673 32.525 31.823 0.049 0.000 1.040 1420 V HN 0.366 nan 8.190 nan 0.000 0.440 1421 S N 2.169 117.903 115.700 0.058 0.000 2.563 1421 S HA -0.039 4.431 4.470 0.000 0.000 0.269 1421 S C 1.445 176.083 174.600 0.062 0.000 1.364 1421 S CA 0.070 58.305 58.200 0.060 0.000 1.010 1421 S CB 0.833 64.073 63.200 0.067 0.000 0.877 1421 S HN 0.885 nan 8.310 nan 0.000 0.549 1422 E N 1.541 121.776 120.200 0.059 0.000 2.150 1422 E HA -0.146 4.204 4.350 0.000 0.000 0.193 1422 E C 1.513 178.156 176.600 0.071 0.000 0.985 1422 E CA 1.107 57.541 56.400 0.058 0.000 0.814 1422 E CB -0.037 29.693 29.700 0.049 0.000 0.752 1422 E HN 0.535 nan 8.360 nan 0.000 0.466 1423 K N 0.384 120.830 120.400 0.076 0.000 2.025 1423 K HA -0.134 4.186 4.320 0.000 0.000 0.207 1423 K C 1.938 178.615 176.600 0.128 0.000 1.049 1423 K CA 1.416 57.761 56.287 0.096 0.000 0.933 1423 K CB -0.097 32.459 32.500 0.093 0.000 0.714 1423 K HN 0.082 nan 8.250 nan 0.000 0.438 1424 D N 1.178 121.642 120.400 0.106 0.000 2.127 1424 D HA -0.213 4.428 4.640 0.000 0.000 0.190 1424 D C 1.887 178.239 176.300 0.086 0.000 1.000 1424 D CA 1.198 55.255 54.000 0.095 0.000 0.839 1424 D CB -0.383 40.463 40.800 0.077 0.000 0.955 1424 D HN 0.131 nan 8.370 nan 0.000 0.446 1425 I N 0.634 121.251 120.570 0.079 0.000 2.091 1425 I HA -0.388 3.782 4.170 0.000 0.000 0.240 1425 I C 2.687 178.865 176.117 0.102 0.000 1.046 1425 I CA 1.618 62.963 61.300 0.075 0.000 1.306 1425 I CB -0.424 37.617 38.000 0.069 0.000 1.018 1425 I HN 0.156 nan 8.210 nan 0.000 0.404 1426 Q N 0.788 120.667 119.800 0.132 0.000 2.029 1426 Q HA -0.299 4.041 4.340 0.000 0.000 0.209 1426 Q C 1.819 177.991 176.000 0.287 0.000 0.999 1426 Q CA 2.507 58.433 55.803 0.204 0.000 0.857 1426 Q CB -0.054 28.793 28.738 0.182 0.000 0.926 1426 Q HN 0.475 nan 8.270 nan 0.000 0.415 1427 D N 0.324 120.885 120.400 0.269 0.000 2.097 1427 D HA -0.154 4.486 4.640 0.000 0.000 0.195 1427 D C 2.095 178.401 176.300 0.010 0.000 0.989 1427 D CA 0.968 55.069 54.000 0.168 0.000 0.827 1427 D CB -0.358 40.502 40.800 0.100 0.000 0.966 1427 D HN 0.309 nan 8.370 nan 0.000 0.456 1428 L N 0.873 122.098 121.223 0.003 0.000 1.978 1428 L HA -0.240 4.100 4.340 0.000 0.000 0.218 1428 L C 2.463 179.325 176.870 -0.014 0.000 1.075 1428 L CA 1.438 56.258 54.840 -0.034 0.000 0.767 1428 L CB -0.395 41.665 42.059 0.001 0.000 0.890 1428 L HN 0.033 nan 8.230 nan 0.000 0.434 1429 K N -0.689 119.743 120.400 0.052 0.000 2.097 1429 K HA -0.217 4.103 4.320 0.000 0.000 0.206 1429 K C 2.045 178.682 176.600 0.062 0.000 1.049 1429 K CA 1.442 57.764 56.287 0.060 0.000 0.933 1429 K CB -0.525 32.032 32.500 0.096 0.000 0.717 1429 K HN 0.193 nan 8.250 nan 0.000 0.442 1430 F N 1.821 121.720 119.950 -0.086 0.000 2.102 1430 F HA -0.108 4.419 4.527 0.000 0.000 0.298 1430 F C 2.141 177.844 175.800 -0.161 0.000 1.105 1430 F CA 1.819 59.724 58.000 -0.157 0.000 1.239 1430 F CB -0.775 37.955 39.000 -0.451 0.000 0.991 1430 F HN 0.015 nan 8.300 nan 0.000 0.474 1431 G N -0.280 108.263 108.800 -0.429 0.000 2.443 1431 G HA2 -0.151 3.809 3.960 0.000 0.000 0.219 1431 G HA3 -0.151 3.809 3.960 0.000 0.000 0.219 1431 G C 1.717 176.426 174.900 -0.319 0.000 1.131 1431 G CA 0.947 45.761 45.100 -0.477 0.000 0.775 1431 G HN 0.357 nan 8.290 nan 0.000 0.547 1432 V N 0.754 120.543 119.914 -0.208 0.000 2.515 1432 V HA -0.094 4.027 4.120 0.000 0.000 0.250 1432 V C 2.613 178.627 176.094 -0.133 0.000 1.058 1432 V CA 1.757 63.980 62.300 -0.129 0.000 1.064 1432 V CB -0.117 31.665 31.823 -0.069 0.000 0.675 1432 V HN 0.353 nan 8.190 nan 0.000 0.461 1433 E N -0.728 119.363 120.200 -0.181 0.000 2.250 1433 E HA -0.074 4.276 4.350 0.000 0.000 0.192 1433 E C 2.092 178.563 176.600 -0.216 0.000 0.986 1433 E CA 0.362 56.668 56.400 -0.156 0.000 0.849 1433 E CB -0.121 29.517 29.700 -0.104 0.000 0.797 1433 E HN 0.499 nan 8.360 nan 0.000 0.482 1434 Q N 0.732 120.311 119.800 -0.368 0.000 2.451 1434 Q HA -0.043 4.297 4.340 0.000 0.000 0.206 1434 Q C -0.164 175.719 176.000 -0.195 0.000 0.947 1434 Q CA 0.323 55.913 55.803 -0.356 0.000 0.937 1434 Q CB -0.206 28.168 28.738 -0.607 0.000 1.025 1434 Q HN 0.183 nan 8.270 nan 0.000 0.511 1435 D N -0.208 120.097 120.400 -0.158 0.000 2.689 1435 D HA -0.146 4.494 4.640 0.000 0.000 0.237 1435 D C -0.400 175.850 176.300 -0.084 0.000 1.148 1435 D CA 0.545 54.489 54.000 -0.093 0.000 0.656 1435 D CB -1.183 39.585 40.800 -0.054 0.000 1.050 1435 D HN 0.120 nan 8.370 nan 0.000 0.426 1436 V N -2.531 117.309 119.914 -0.122 0.000 2.963 1436 V HA 0.264 4.384 4.120 0.000 0.000 0.306 1436 V C 1.467 177.518 176.094 -0.072 0.000 1.077 1436 V CA 0.333 62.565 62.300 -0.113 0.000 1.124 1436 V CB 1.262 32.981 31.823 -0.173 0.000 0.987 1436 V HN 0.082 nan 8.190 nan 0.000 0.487 1437 D N 2.418 122.787 120.400 -0.051 0.000 2.301 1437 D HA 0.161 4.801 4.640 0.000 0.000 0.206 1437 D C 0.645 176.936 176.300 -0.015 0.000 0.979 1437 D CA 1.221 55.216 54.000 -0.009 0.000 0.874 1437 D CB 0.525 41.346 40.800 0.036 0.000 0.968 1437 D HN 0.802 nan 8.370 nan 0.000 0.510 1438 M N -1.192 118.365 119.600 -0.072 0.000 2.755 1438 M HA 0.572 5.053 4.480 0.000 0.000 0.273 1438 M C -1.614 174.585 176.300 -0.169 0.000 1.278 1438 M CA -1.013 54.249 55.300 -0.062 0.000 0.819 1438 M CB 2.992 35.608 32.600 0.025 0.000 1.694 1438 M HN -0.419 nan 8.290 nan 0.000 0.460 1439 V N 1.712 121.580 119.914 -0.076 0.000 2.638 1439 V HA 0.514 4.634 4.120 0.000 0.000 0.306 1439 V C -1.528 174.673 176.094 0.179 0.000 1.052 1439 V CA -0.438 61.808 62.300 -0.089 0.000 0.885 1439 V CB 2.113 33.904 31.823 -0.053 0.000 0.999 1439 V HN 0.665 nan 8.190 nan 0.000 0.424 1440 F N 3.423 123.356 119.950 -0.028 0.000 2.334 1440 F HA 0.588 5.115 4.527 0.000 0.000 0.365 1440 F C 0.850 176.645 175.800 -0.009 0.000 1.124 1440 F CA -1.601 56.389 58.000 -0.018 0.000 1.166 1440 F CB 0.699 39.696 39.000 -0.005 0.000 1.355 1440 F HN 0.533 nan 8.300 nan 0.000 0.532 1441 A N 2.789 125.708 122.820 0.165 0.000 2.410 1441 A HA 0.440 4.760 4.320 0.000 0.000 0.292 1441 A C 0.546 178.190 177.584 0.100 0.000 1.232 1441 A CA -0.332 51.768 52.037 0.105 0.000 0.893 1441 A CB -0.413 18.624 19.000 0.063 0.000 1.131 1441 A HN 0.590 nan 8.150 nan 0.000 0.530 1442 S N 1.825 117.607 115.700 0.138 0.000 2.572 1442 S HA 0.392 4.862 4.470 0.000 0.000 0.279 1442 S C -0.042 174.707 174.600 0.247 0.000 1.341 1442 S CA -0.216 58.074 58.200 0.149 0.000 1.043 1442 S CB -0.293 63.073 63.200 0.277 0.000 0.887 1442 S HN 0.738 nan 8.310 nan 0.000 0.516 1443 F N -0.214 119.755 119.950 0.031 0.000 2.773 1443 F HA -0.154 4.373 4.527 0.000 0.000 0.251 1443 F C 0.061 175.870 175.800 0.015 0.000 1.020 1443 F CA -0.101 57.911 58.000 0.019 0.000 0.924 1443 F CB -1.335 37.674 39.000 0.016 0.000 0.919 1443 F HN 0.426 nan 8.300 nan 0.000 0.846 1444 I N 1.362 121.991 120.570 0.098 0.000 2.371 1444 I HA 0.132 4.303 4.170 0.000 0.000 0.290 1444 I C 1.367 177.521 176.117 0.063 0.000 1.028 1444 I CA 0.164 61.505 61.300 0.068 0.000 1.345 1444 I CB 1.458 39.470 38.000 0.021 0.000 1.407 1444 I HN 0.389 nan 8.210 nan 0.000 0.501 1445 R N 4.718 125.255 120.500 0.062 0.000 2.307 1445 R HA 0.167 4.507 4.340 0.000 0.000 0.200 1445 R C -0.295 176.022 176.300 0.028 0.000 0.893 1445 R CA 0.268 56.403 56.100 0.058 0.000 1.042 1445 R CB 0.578 30.921 30.300 0.072 0.000 1.059 1445 R HN 0.619 nan 8.270 nan 0.000 0.530 1446 K N -2.574 117.829 120.400 0.006 0.000 2.639 1446 K HA 0.303 4.624 4.320 0.000 0.000 0.279 1446 K C -0.292 176.279 176.600 -0.048 0.000 0.976 1446 K CA -0.093 56.186 56.287 -0.014 0.000 0.861 1446 K CB 0.760 33.265 32.500 0.008 0.000 1.436 1446 K HN -0.130 nan 8.250 nan 0.000 0.400 1447 A N 1.506 124.279 122.820 -0.080 0.000 1.997 1447 A HA -0.197 4.123 4.320 0.000 0.000 0.221 1447 A C 2.209 179.672 177.584 -0.201 0.000 1.172 1447 A CA 2.750 54.679 52.037 -0.181 0.000 0.645 1447 A CB -0.989 17.928 19.000 -0.138 0.000 0.813 1447 A HN 0.944 nan 8.150 nan 0.000 0.454 1448 A N 0.012 122.839 122.820 0.012 0.000 1.978 1448 A HA -0.207 4.113 4.320 0.000 0.000 0.220 1448 A C 1.689 179.302 177.584 0.048 0.000 1.170 1448 A CA 1.898 54.007 52.037 0.120 0.000 0.636 1448 A CB -0.547 18.510 19.000 0.096 0.000 0.810 1448 A HN 0.525 nan 8.150 nan 0.000 0.448 1449 D N -0.084 120.312 120.400 -0.007 0.000 2.117 1449 D HA -0.102 4.538 4.640 0.000 0.000 0.197 1449 D C 2.089 178.370 176.300 -0.032 0.000 0.987 1449 D CA 1.492 55.492 54.000 -0.000 0.000 0.829 1449 D CB -0.586 40.221 40.800 0.012 0.000 0.961 1449 D HN 0.283 nan 8.370 nan 0.000 0.460 1450 V N 0.927 120.763 119.914 -0.131 0.000 2.261 1450 V HA -0.269 3.852 4.120 0.000 0.000 0.246 1450 V C 2.092 178.112 176.094 -0.123 0.000 1.047 1450 V CA 1.810 64.005 62.300 -0.175 0.000 1.015 1450 V CB -0.956 30.688 31.823 -0.299 0.000 0.642 1450 V HN 0.276 nan 8.190 nan 0.000 0.446 1451 H N -0.178 118.894 119.070 0.003 0.000 2.353 1451 H HA -0.179 4.377 4.556 0.000 0.000 0.298 1451 H C 2.489 177.823 175.328 0.009 0.000 1.103 1451 H CA 1.777 57.828 56.048 0.004 0.000 1.293 1451 H CB 0.040 29.803 29.762 0.002 0.000 1.372 1451 H HN 0.481 nan 8.280 nan 0.000 0.501 1452 E N 0.219 120.498 120.200 0.132 0.000 2.051 1452 E HA -0.154 4.196 4.350 0.000 0.000 0.192 1452 E C 2.354 178.987 176.600 0.056 0.000 0.991 1452 E CA 1.284 57.733 56.400 0.080 0.000 0.799 1452 E CB 0.072 29.809 29.700 0.062 0.000 0.748 1452 E HN 0.231 nan 8.360 nan 0.000 0.449 1453 V N 0.748 120.684 119.914 0.037 0.000 2.358 1453 V HA -0.254 3.866 4.120 0.000 0.000 0.246 1453 V C 2.396 178.508 176.094 0.029 0.000 1.047 1453 V CA 1.853 64.169 62.300 0.027 0.000 1.035 1453 V CB -0.465 31.367 31.823 0.015 0.000 0.658 1453 V HN 0.164 nan 8.190 nan 0.000 0.452 1454 R N 0.520 121.041 120.500 0.036 0.000 2.094 1454 R HA -0.240 4.100 4.340 0.000 0.000 0.239 1454 R C 2.395 178.724 176.300 0.049 0.000 1.137 1454 R CA 2.245 58.373 56.100 0.047 0.000 0.943 1454 R CB -0.466 29.885 30.300 0.084 0.000 0.850 1454 R HN 0.477 nan 8.270 nan 0.000 0.433 1455 K N -0.093 120.344 120.400 0.061 0.000 2.015 1455 K HA -0.198 4.122 4.320 0.000 0.000 0.216 1455 K C 1.780 178.401 176.600 0.036 0.000 1.052 1455 K CA 2.053 58.370 56.287 0.049 0.000 0.937 1455 K CB -0.175 32.358 32.500 0.055 0.000 0.719 1455 K HN 0.143 nan 8.250 nan 0.000 0.446 1456 I N 1.368 121.959 120.570 0.035 0.000 2.493 1456 I HA -0.207 3.963 4.170 0.000 0.000 0.254 1456 I C 2.152 178.281 176.117 0.021 0.000 1.160 1456 I CA 0.804 62.121 61.300 0.029 0.000 1.445 1456 I CB -1.128 36.891 38.000 0.031 0.000 1.086 1456 I HN 0.205 nan 8.210 nan 0.000 0.433 1457 L N 0.519 121.752 121.223 0.017 0.000 2.201 1457 L HA 0.099 4.440 4.340 0.000 0.000 0.212 1457 L C 1.703 178.579 176.870 0.010 0.000 1.105 1457 L CA 1.144 55.988 54.840 0.007 0.000 0.775 1457 L CB -1.604 40.458 42.059 0.004 0.000 0.913 1457 L HN 0.441 nan 8.230 nan 0.000 0.440 1458 G N -0.564 108.247 108.800 0.019 0.000 2.591 1458 G HA2 -0.360 3.601 3.960 0.000 0.000 0.278 1458 G HA3 -0.360 3.601 3.960 0.000 0.000 0.278 1458 G C 1.008 175.917 174.900 0.016 0.000 1.293 1458 G CA 0.415 45.526 45.100 0.019 0.000 0.930 1458 G HN 0.242 nan 8.290 nan 0.000 0.562 1459 E N -0.068 120.140 120.200 0.015 0.000 2.047 1459 E HA -0.092 4.258 4.350 0.000 0.000 0.191 1459 E C 2.572 179.178 176.600 0.010 0.000 0.987 1459 E CA 1.362 57.770 56.400 0.014 0.000 0.799 1459 E CB -0.239 29.469 29.700 0.013 0.000 0.752 1459 E HN 0.527 nan 8.360 nan 0.000 0.449 1460 K N -0.401 120.003 120.400 0.007 0.000 2.160 1460 K HA -0.121 4.199 4.320 0.000 0.000 0.206 1460 K C 1.245 177.845 176.600 -0.001 0.000 1.047 1460 K CA 1.335 57.623 56.287 0.002 0.000 0.930 1460 K CB -0.086 32.413 32.500 -0.002 0.000 0.720 1460 K HN 0.049 nan 8.250 nan 0.000 0.450 1461 G N 0.773 109.573 108.800 -0.001 0.000 4.433 1461 G HA2 0.054 4.015 3.960 0.000 0.000 0.304 1461 G HA3 0.054 4.015 3.960 0.000 0.000 0.304 1461 G C 0.274 175.180 174.900 0.009 0.000 1.254 1461 G CA -0.512 44.586 45.100 -0.003 0.000 0.999 1461 G HN 0.295 nan 8.290 nan 0.000 0.576 1462 K N -1.089 119.321 120.400 0.016 0.000 2.504 1462 K HA 0.063 4.383 4.320 0.000 0.000 0.195 1462 K C 1.068 177.687 176.600 0.031 0.000 1.036 1462 K CA 0.822 57.124 56.287 0.024 0.000 0.984 1462 K CB 0.075 32.589 32.500 0.024 0.000 0.788 1462 K HN 0.284 nan 8.250 nan 0.000 0.488 1463 N N 0.552 119.269 118.700 0.029 0.000 2.220 1463 N HA 0.199 4.939 4.740 0.000 0.000 0.195 1463 N C -0.423 175.111 175.510 0.040 0.000 1.123 1463 N CA -0.354 52.720 53.050 0.040 0.000 0.874 1463 N CB 0.479 38.991 38.487 0.041 0.000 0.995 1463 N HN 0.071 nan 8.380 nan 0.000 0.498 1464 I N 2.134 122.718 120.570 0.023 0.000 2.533 1464 I HA 0.037 4.207 4.170 0.000 0.000 0.284 1464 I C 0.200 176.333 176.117 0.026 0.000 1.109 1464 I CA -0.206 61.103 61.300 0.014 0.000 1.412 1464 I CB 0.461 38.452 38.000 -0.015 0.000 1.396 1464 I HN -0.095 nan 8.210 nan 0.000 0.543 1465 K N 7.432 127.855 120.400 0.039 0.000 2.368 1465 K HA 0.405 4.725 4.320 0.000 0.000 0.282 1465 K C -0.322 176.305 176.600 0.044 0.000 1.035 1465 K CA -0.110 56.207 56.287 0.050 0.000 0.973 1465 K CB 1.075 33.616 32.500 0.067 0.000 0.957 1465 K HN 0.527 nan 8.250 nan 0.000 0.474 1466 I N 4.982 125.573 120.570 0.036 0.000 2.312 1466 I HA 0.177 4.347 4.170 0.000 0.000 0.290 1466 I C -0.143 175.997 176.117 0.038 0.000 1.008 1466 I CA -0.722 60.599 61.300 0.036 0.000 1.226 1466 I CB 0.855 38.862 38.000 0.013 0.000 1.371 1466 I HN 0.207 nan 8.210 nan 0.000 0.468 1467 I N 5.450 126.074 120.570 0.089 0.000 2.330 1467 I HA 0.233 4.403 4.170 0.000 0.000 0.289 1467 I C 0.275 176.420 176.117 0.046 0.000 1.001 1467 I CA -0.253 61.084 61.300 0.062 0.000 1.193 1467 I CB 1.160 39.224 38.000 0.107 0.000 1.345 1467 I HN 0.418 nan 8.210 nan 0.000 0.461 1468 S N 6.857 122.554 115.700 -0.004 0.000 2.489 1468 S HA 0.352 4.822 4.470 0.000 0.000 0.277 1468 S C 0.107 174.690 174.600 -0.027 0.000 1.230 1468 S CA -0.755 57.440 58.200 -0.008 0.000 1.053 1468 S CB 0.676 63.861 63.200 -0.026 0.000 0.955 1468 S HN 0.397 nan 8.310 nan 0.000 0.488 1469 K N 2.729 123.104 120.400 -0.040 0.000 2.211 1469 K HA 0.412 4.732 4.320 0.000 0.000 0.275 1469 K C -0.708 175.824 176.600 -0.114 0.000 1.024 1469 K CA -0.575 55.652 56.287 -0.100 0.000 0.887 1469 K CB 0.684 33.105 32.500 -0.132 0.000 1.084 1469 K HN 0.384 nan 8.250 nan 0.000 0.463 1470 I N 4.231 124.734 120.570 -0.111 0.000 2.282 1470 I HA 0.037 4.207 4.170 0.000 0.000 0.290 1470 I C 0.487 176.494 176.117 -0.183 0.000 1.090 1470 I CA 0.038 61.277 61.300 -0.102 0.000 1.231 1470 I CB -0.027 37.937 38.000 -0.061 0.000 1.434 1470 I HN 0.851 nan 8.210 nan 0.000 0.487 1471 E N 5.662 125.706 120.200 -0.260 0.000 2.887 1471 E HA 0.243 4.593 4.350 0.000 0.000 0.206 1471 E C -0.348 176.158 176.600 -0.156 0.000 0.983 1471 E CA -0.507 55.688 56.400 -0.343 0.000 1.141 1471 E CB 0.416 29.695 29.700 -0.702 0.000 1.061 1471 E HN 0.740 nan 8.360 nan 0.000 0.468 1472 N N -0.518 118.163 118.700 -0.033 0.000 3.116 1472 N HA 0.008 4.748 4.740 0.000 0.000 0.244 1472 N C -0.003 175.538 175.510 0.051 0.000 1.485 1472 N CA -0.702 52.396 53.050 0.080 0.000 0.884 1472 N CB 0.857 39.459 38.487 0.191 0.000 1.415 1472 N HN -0.026 nan 8.380 nan 0.000 0.524 1473 H N -0.042 119.038 119.070 0.017 0.000 2.387 1473 H HA -0.073 4.483 4.556 0.000 0.000 0.299 1473 H C 1.833 177.168 175.328 0.012 0.000 1.090 1473 H CA 2.468 58.518 56.048 0.003 0.000 1.332 1473 H CB 0.338 30.100 29.762 0.000 0.000 1.386 1473 H HN 0.712 nan 8.280 nan 0.000 0.516 1474 E N -0.719 119.540 120.200 0.099 0.000 2.028 1474 E HA -0.115 4.235 4.350 0.000 0.000 0.190 1474 E C 2.535 179.147 176.600 0.021 0.000 0.984 1474 E CA 0.786 57.227 56.400 0.067 0.000 0.800 1474 E CB -0.388 29.364 29.700 0.087 0.000 0.758 1474 E HN 0.600 nan 8.360 nan 0.000 0.448 1475 G N 0.806 109.624 108.800 0.031 0.000 2.505 1475 G HA2 -0.296 3.664 3.960 0.000 0.000 0.220 1475 G HA3 -0.296 3.664 3.960 0.000 0.000 0.220 1475 G C 1.630 176.551 174.900 0.036 0.000 1.145 1475 G CA 1.277 46.397 45.100 0.033 0.000 0.761 1475 G HN 0.242 nan 8.290 nan 0.000 0.571 1476 V N 0.931 120.813 119.914 -0.054 0.000 2.244 1476 V HA -0.173 3.947 4.120 0.000 0.000 0.244 1476 V C 2.779 178.842 176.094 -0.052 0.000 1.042 1476 V CA 2.242 64.480 62.300 -0.104 0.000 1.006 1476 V CB -0.595 31.078 31.823 -0.250 0.000 0.641 1476 V HN 0.488 nan 8.190 nan 0.000 0.446 1477 R N 0.529 120.953 120.500 -0.127 0.000 2.103 1477 R HA -0.181 4.159 4.340 0.000 0.000 0.242 1477 R C 1.957 178.261 176.300 0.006 0.000 1.142 1477 R CA 1.851 57.907 56.100 -0.072 0.000 0.960 1477 R CB -0.172 30.093 30.300 -0.057 0.000 0.858 1477 R HN 0.400 nan 8.270 nan 0.000 0.439 1478 R N -0.142 120.372 120.500 0.023 0.000 2.480 1478 R HA 0.042 4.382 4.340 0.000 0.000 0.277 1478 R C 1.092 177.400 176.300 0.012 0.000 1.008 1478 R CA -0.280 55.829 56.100 0.016 0.000 1.090 1478 R CB -0.085 30.218 30.300 0.004 0.000 1.234 1478 R HN 0.212 nan 8.270 nan 0.000 0.549 1479 F N 2.042 121.948 119.950 -0.072 0.000 2.063 1479 F HA -0.329 4.198 4.527 0.000 0.000 0.298 1479 F C 1.518 177.279 175.800 -0.065 0.000 1.109 1479 F CA 1.917 59.870 58.000 -0.077 0.000 1.212 1479 F CB 0.028 38.973 39.000 -0.093 0.000 0.973 1479 F HN 0.049 nan 8.300 nan 0.000 0.480 1480 D N 0.435 120.676 120.400 -0.264 0.000 2.156 1480 D HA -0.280 4.360 4.640 0.000 0.000 0.190 1480 D C 2.202 178.301 176.300 -0.335 0.000 0.998 1480 D CA 2.177 55.984 54.000 -0.323 0.000 0.842 1480 D CB -0.853 39.882 40.800 -0.107 0.000 0.974 1480 D HN 0.692 nan 8.370 nan 0.000 0.447 1481 E N 0.516 120.597 120.200 -0.199 0.000 2.160 1481 E HA -0.170 4.180 4.350 0.000 0.000 0.195 1481 E C 2.347 178.829 176.600 -0.197 0.000 0.991 1481 E CA 0.849 57.160 56.400 -0.148 0.000 0.810 1481 E CB -0.462 29.191 29.700 -0.078 0.000 0.742 1481 E HN 0.336 nan 8.360 nan 0.000 0.466 1482 I N 1.042 121.454 120.570 -0.263 0.000 2.113 1482 I HA -0.253 3.918 4.170 0.000 0.000 0.238 1482 I C 2.711 178.628 176.117 -0.333 0.000 1.070 1482 I CA 0.993 62.133 61.300 -0.266 0.000 1.332 1482 I CB -0.319 37.544 38.000 -0.229 0.000 1.044 1482 I HN 0.222 nan 8.210 nan 0.000 0.402 1483 L N 0.987 121.864 121.223 -0.578 0.000 2.013 1483 L HA -0.273 4.067 4.340 0.000 0.000 0.212 1483 L C 2.634 179.331 176.870 -0.288 0.000 1.073 1483 L CA 2.277 56.794 54.840 -0.539 0.000 0.753 1483 L CB -0.462 41.053 42.059 -0.907 0.000 0.890 1483 L HN 0.360 nan 8.230 nan 0.000 0.432 1484 E N 0.437 120.482 120.200 -0.258 0.000 2.118 1484 E HA -0.225 4.126 4.350 0.000 0.000 0.195 1484 E C 1.772 178.312 176.600 -0.100 0.000 0.992 1484 E CA 1.896 58.211 56.400 -0.142 0.000 0.804 1484 E CB -0.249 29.391 29.700 -0.101 0.000 0.741 1484 E HN 0.464 nan 8.360 nan 0.000 0.458 1485 A N 0.364 123.103 122.820 -0.134 0.000 2.021 1485 A HA 0.148 4.468 4.320 0.000 0.000 0.216 1485 A C 1.263 178.776 177.584 -0.119 0.000 1.163 1485 A CA 0.593 52.552 52.037 -0.130 0.000 0.676 1485 A CB -0.250 18.567 19.000 -0.304 0.000 0.818 1485 A HN 0.332 nan 8.150 nan 0.000 0.453 1486 S N -0.183 115.441 115.700 -0.128 0.000 2.687 1486 S HA 0.382 4.853 4.470 0.000 0.000 0.283 1486 S C -0.179 174.385 174.600 -0.059 0.000 1.170 1486 S CA -0.527 57.619 58.200 -0.089 0.000 1.008 1486 S CB 1.155 64.300 63.200 -0.092 0.000 1.026 1486 S HN 0.228 nan 8.310 nan 0.000 0.541 1487 D N 0.714 121.095 120.400 -0.032 0.000 2.317 1487 D HA 0.276 4.916 4.640 0.000 0.000 0.211 1487 D C 0.851 177.122 176.300 -0.049 0.000 0.966 1487 D CA 0.988 54.979 54.000 -0.015 0.000 0.876 1487 D CB 0.062 40.869 40.800 0.011 0.000 0.927 1487 D HN 0.784 nan 8.370 nan 0.000 0.519 1488 G N -0.532 108.232 108.800 -0.060 0.000 2.368 1488 G HA2 0.414 4.374 3.960 0.000 0.000 0.293 1488 G HA3 0.414 4.374 3.960 0.000 0.000 0.293 1488 G C -1.761 173.103 174.900 -0.059 0.000 1.467 1488 G CA -0.703 44.347 45.100 -0.084 0.000 0.804 1488 G HN -0.059 nan 8.290 nan 0.000 0.535 1489 I N 0.718 121.252 120.570 -0.061 0.000 2.647 1489 I HA 0.551 4.722 4.170 0.000 0.000 0.295 1489 I C -0.397 175.655 176.117 -0.109 0.000 1.078 1489 I CA -0.708 60.574 61.300 -0.029 0.000 1.048 1489 I CB 2.230 40.298 38.000 0.112 0.000 1.239 1489 I HN 0.688 nan 8.210 nan 0.000 0.421 1490 M N 5.833 125.351 119.600 -0.137 0.000 2.383 1490 M HA 0.496 4.977 4.480 0.000 0.000 0.325 1490 M C -1.559 174.645 176.300 -0.161 0.000 1.092 1490 M CA -0.667 54.513 55.300 -0.200 0.000 0.961 1490 M CB 2.000 34.406 32.600 -0.322 0.000 1.672 1490 M HN 0.275 nan 8.290 nan 0.000 0.438 1491 V N 4.722 124.538 119.914 -0.163 0.000 2.322 1491 V HA 0.388 4.508 4.120 0.000 0.000 0.258 1491 V C 0.487 176.493 176.094 -0.147 0.000 1.074 1491 V CA -0.533 61.673 62.300 -0.156 0.000 0.909 1491 V CB 0.065 31.799 31.823 -0.148 0.000 1.090 1491 V HN 0.869 nan 8.190 nan 0.000 0.486 1492 A N 5.148 127.873 122.820 -0.159 0.000 3.015 1492 A HA 0.403 4.723 4.320 0.000 0.000 0.293 1492 A C 1.347 178.855 177.584 -0.127 0.000 1.572 1492 A CA -0.515 51.431 52.037 -0.151 0.000 1.274 1492 A CB -0.298 18.581 19.000 -0.202 0.000 1.156 1492 A HN 0.856 nan 8.150 nan 0.000 0.562 1493 R N 1.032 121.477 120.500 -0.091 0.000 2.237 1493 R HA -0.060 4.280 4.340 0.000 0.000 0.219 1493 R C 2.132 178.404 176.300 -0.047 0.000 1.080 1493 R CA 1.279 57.338 56.100 -0.068 0.000 0.995 1493 R CB -0.132 30.140 30.300 -0.047 0.000 0.875 1493 R HN 0.638 nan 8.270 nan 0.000 0.462 1494 G N 1.245 110.024 108.800 -0.036 0.000 2.484 1494 G HA2 -0.271 3.690 3.960 0.000 0.000 0.215 1494 G HA3 -0.271 3.690 3.960 0.000 0.000 0.215 1494 G C 0.955 175.852 174.900 -0.005 0.000 1.219 1494 G CA 1.053 46.150 45.100 -0.005 0.000 0.791 1494 G HN 0.193 nan 8.290 nan 0.000 0.550 1495 D N 0.154 120.542 120.400 -0.020 0.000 2.084 1495 D HA -0.087 4.553 4.640 0.000 0.000 0.194 1495 D C 2.514 178.798 176.300 -0.028 0.000 0.990 1495 D CA 0.734 54.736 54.000 0.003 0.000 0.826 1495 D CB -0.371 40.397 40.800 -0.053 0.000 0.971 1495 D HN 0.137 nan 8.370 nan 0.000 0.453 1496 L N 1.336 122.506 121.223 -0.089 0.000 2.051 1496 L HA -0.141 4.199 4.340 0.000 0.000 0.214 1496 L C 2.264 179.106 176.870 -0.046 0.000 1.076 1496 L CA 2.155 56.951 54.840 -0.074 0.000 0.758 1496 L CB -0.943 41.054 42.059 -0.103 0.000 0.890 1496 L HN 0.070 nan 8.230 nan 0.000 0.433 1497 G N -1.229 107.544 108.800 -0.045 0.000 2.559 1497 G HA2 -0.187 3.773 3.960 0.000 0.000 0.216 1497 G HA3 -0.187 3.773 3.960 0.000 0.000 0.216 1497 G C 1.474 176.336 174.900 -0.063 0.000 1.126 1497 G CA 0.700 45.776 45.100 -0.039 0.000 0.778 1497 G HN 0.414 nan 8.290 nan 0.000 0.543 1498 I N -0.518 120.006 120.570 -0.076 0.000 3.939 1498 I HA 0.158 4.328 4.170 0.000 0.000 0.313 1498 I C 1.844 177.882 176.117 -0.132 0.000 1.274 1498 I CA 0.367 61.570 61.300 -0.161 0.000 1.301 1498 I CB 0.208 38.081 38.000 -0.213 0.000 1.105 1498 I HN 0.049 nan 8.210 nan 0.000 0.427 1499 E N 1.476 121.654 120.200 -0.036 0.000 2.072 1499 E HA -0.038 4.313 4.350 0.000 0.000 0.191 1499 E C 1.023 177.633 176.600 0.017 0.000 0.985 1499 E CA 0.844 57.253 56.400 0.016 0.000 0.801 1499 E CB 0.195 29.943 29.700 0.079 0.000 0.750 1499 E HN 0.552 nan 8.360 nan 0.000 0.452 1500 I N -2.129 118.447 120.570 0.009 0.000 2.910 1500 I HA 0.444 4.614 4.170 0.000 0.000 0.310 1500 I C -2.591 173.523 176.117 -0.006 0.000 1.043 1500 I CA -2.943 58.376 61.300 0.032 0.000 1.053 1500 I CB 1.896 39.939 38.000 0.071 0.000 1.242 1500 I HN -0.331 nan 8.210 nan 0.000 0.452 1501 P HA 0.010 nan 4.420 nan 0.000 0.264 1501 P C 0.406 177.709 177.300 0.006 0.000 1.183 1501 P CA 0.193 63.292 63.100 -0.001 0.000 0.763 1501 P CB 0.833 32.542 31.700 0.014 0.000 0.807 1502 A N 4.758 127.579 122.820 0.001 0.000 1.908 1502 A HA -0.222 4.098 4.320 0.000 0.000 0.218 1502 A C 1.806 179.425 177.584 0.058 0.000 1.181 1502 A CA 1.681 53.727 52.037 0.015 0.000 0.627 1502 A CB -0.991 18.014 19.000 0.007 0.000 0.818 1502 A HN 0.663 nan 8.150 nan 0.000 0.445 1503 E N 0.483 120.724 120.200 0.069 0.000 2.401 1503 E HA -0.173 4.177 4.350 0.000 0.000 0.199 1503 E C 1.091 177.817 176.600 0.210 0.000 1.023 1503 E CA 1.323 57.799 56.400 0.127 0.000 0.859 1503 E CB -0.274 29.485 29.700 0.099 0.000 0.780 1503 E HN 0.683 nan 8.360 nan 0.000 0.523 1504 K N 0.504 120.964 120.400 0.099 0.000 2.353 1504 K HA 0.157 4.477 4.320 0.000 0.000 0.195 1504 K C 1.885 178.408 176.600 -0.128 0.000 1.031 1504 K CA 0.206 56.480 56.287 -0.022 0.000 1.079 1504 K CB 0.710 33.182 32.500 -0.046 0.000 0.857 1504 K HN -0.071 nan 8.250 nan 0.000 0.535 1505 V N 1.955 121.872 119.914 0.005 0.000 2.392 1505 V HA -0.280 3.841 4.120 0.000 0.000 0.249 1505 V C 2.102 178.159 176.094 -0.061 0.000 1.059 1505 V CA 1.931 64.212 62.300 -0.032 0.000 1.051 1505 V CB -0.731 31.101 31.823 0.015 0.000 0.658 1505 V HN 0.349 nan 8.190 nan 0.000 0.455 1506 F N 0.436 120.348 119.950 -0.064 0.000 2.171 1506 F HA -0.104 4.423 4.527 0.000 0.000 0.300 1506 F C 1.955 177.707 175.800 -0.079 0.000 1.090 1506 F CA 1.333 59.294 58.000 -0.066 0.000 1.293 1506 F CB -1.250 37.721 39.000 -0.049 0.000 1.013 1506 F HN 0.076 nan 8.300 nan 0.000 0.486 1507 L N 1.112 121.572 121.223 -1.271 0.000 1.970 1507 L HA -0.218 4.122 4.340 0.000 0.000 0.212 1507 L C 3.073 179.689 176.870 -0.424 0.000 1.071 1507 L CA 1.545 55.893 54.840 -0.819 0.000 0.751 1507 L CB -1.537 40.105 42.059 -0.696 0.000 0.889 1507 L HN 0.361 nan 8.230 nan 0.000 0.432 1508 A N -0.401 122.207 122.820 -0.353 0.000 1.873 1508 A HA -0.341 3.980 4.320 0.000 0.000 0.218 1508 A C 2.292 179.702 177.584 -0.290 0.000 1.193 1508 A CA 2.296 54.155 52.037 -0.297 0.000 0.629 1508 A CB -0.861 17.989 19.000 -0.249 0.000 0.826 1508 A HN 0.548 nan 8.150 nan 0.000 0.447 1509 Q N -0.280 119.387 119.800 -0.221 0.000 2.045 1509 Q HA -0.266 4.074 4.340 0.000 0.000 0.206 1509 Q C 2.058 177.957 176.000 -0.169 0.000 0.991 1509 Q CA 2.256 57.956 55.803 -0.172 0.000 0.851 1509 Q CB -0.174 28.513 28.738 -0.085 0.000 0.911 1509 Q HN 0.724 nan 8.270 nan 0.000 0.418 1510 K N -0.051 120.262 120.400 -0.146 0.000 2.057 1510 K HA -0.142 4.178 4.320 0.000 0.000 0.207 1510 K C 2.204 178.707 176.600 -0.162 0.000 1.049 1510 K CA 1.401 57.616 56.287 -0.120 0.000 0.931 1510 K CB -0.283 32.175 32.500 -0.070 0.000 0.714 1510 K HN 0.327 nan 8.250 nan 0.000 0.440 1511 M N 1.367 120.837 119.600 -0.216 0.000 2.117 1511 M HA -0.143 4.337 4.480 0.000 0.000 0.262 1511 M C 1.913 178.035 176.300 -0.297 0.000 1.065 1511 M CA 1.748 56.912 55.300 -0.226 0.000 1.114 1511 M CB -0.280 32.172 32.600 -0.247 0.000 1.361 1511 M HN 0.132 nan 8.290 nan 0.000 0.408 1512 I N 0.024 120.338 120.570 -0.426 0.000 2.202 1512 I HA -0.304 3.866 4.170 0.000 0.000 0.242 1512 I C 2.382 178.317 176.117 -0.305 0.000 1.091 1512 I CA 1.050 61.971 61.300 -0.633 0.000 1.368 1512 I CB -0.353 37.197 38.000 -0.750 0.000 1.058 1512 I HN 0.242 nan 8.210 nan 0.000 0.410 1513 I N 0.654 121.102 120.570 -0.203 0.000 2.226 1513 I HA -0.214 3.956 4.170 0.000 0.000 0.245 1513 I C 2.657 178.727 176.117 -0.078 0.000 1.100 1513 I CA 1.627 62.858 61.300 -0.114 0.000 1.374 1513 I CB -0.759 37.185 38.000 -0.093 0.000 1.057 1513 I HN 0.252 nan 8.210 nan 0.000 0.413 1514 G N 0.675 109.422 108.800 -0.088 0.000 2.446 1514 G HA2 -0.239 3.721 3.960 0.000 0.000 0.217 1514 G HA3 -0.239 3.721 3.960 0.000 0.000 0.217 1514 G C 1.785 176.669 174.900 -0.027 0.000 1.168 1514 G CA 0.512 45.576 45.100 -0.060 0.000 0.771 1514 G HN 0.257 nan 8.290 nan 0.000 0.551 1515 R N -0.377 120.119 120.500 -0.006 0.000 2.091 1515 R HA -0.084 4.256 4.340 0.000 0.000 0.238 1515 R C 2.697 179.058 176.300 0.103 0.000 1.136 1515 R CA 1.438 57.593 56.100 0.092 0.000 0.959 1515 R CB -0.945 29.507 30.300 0.253 0.000 0.856 1515 R HN 0.409 nan 8.270 nan 0.000 0.437 1516 C N 0.638 120.001 119.300 0.105 0.000 2.425 1516 C HA -0.043 4.417 4.460 0.000 0.000 0.277 1516 C C 2.319 177.308 174.990 -0.001 0.000 1.280 1516 C CA 0.529 59.584 59.018 0.062 0.000 1.744 1516 C CB -1.312 26.453 27.740 0.041 0.000 1.989 1516 C HN 0.559 nan 8.230 nan 0.000 0.491 1517 N N 0.149 118.838 118.700 -0.018 0.000 2.058 1517 N HA -0.168 4.572 4.740 0.000 0.000 0.191 1517 N C 2.135 177.610 175.510 -0.058 0.000 1.037 1517 N CA 0.897 53.921 53.050 -0.043 0.000 0.848 1517 N CB -0.244 38.219 38.487 -0.041 0.000 1.021 1517 N HN 0.476 nan 8.380 nan 0.000 0.422 1518 R N 1.061 121.540 120.500 -0.035 0.000 2.094 1518 R HA -0.155 4.185 4.340 0.000 0.000 0.239 1518 R C 2.161 178.447 176.300 -0.025 0.000 1.137 1518 R CA 1.692 57.775 56.100 -0.028 0.000 0.943 1518 R CB -0.392 29.906 30.300 -0.003 0.000 0.850 1518 R HN 0.203 nan 8.270 nan 0.000 0.433 1519 A N -0.647 122.168 122.820 -0.008 0.000 2.019 1519 A HA -0.032 4.288 4.320 0.000 0.000 0.219 1519 A C 1.566 179.140 177.584 -0.018 0.000 1.164 1519 A CA 1.718 53.753 52.037 -0.004 0.000 0.644 1519 A CB -0.508 18.489 19.000 -0.005 0.000 0.805 1519 A HN 0.671 nan 8.150 nan 0.000 0.449 1520 G N -1.626 107.147 108.800 -0.046 0.000 2.141 1520 G HA2 -0.237 3.723 3.960 0.000 0.000 0.242 1520 G HA3 -0.237 3.723 3.960 0.000 0.000 0.242 1520 G C 0.081 174.984 174.900 0.005 0.000 0.982 1520 G CA 0.530 45.601 45.100 -0.049 0.000 0.662 1520 G HN 0.621 nan 8.290 nan 0.000 0.527 1521 K N 1.033 121.423 120.400 -0.016 0.000 2.164 1521 K HA 0.535 4.856 4.320 0.000 0.000 0.258 1521 K C -2.521 174.013 176.600 -0.110 0.000 0.951 1521 K CA -2.183 54.078 56.287 -0.043 0.000 0.844 1521 K CB 2.016 34.493 32.500 -0.038 0.000 1.099 1521 K HN -0.030 nan 8.250 nan 0.000 0.435 1522 P HA -0.017 nan 4.420 nan 0.000 0.267 1522 P C -0.893 176.293 177.300 -0.191 0.000 1.205 1522 P CA -0.283 62.633 63.100 -0.307 0.000 0.765 1522 P CB 0.807 32.149 31.700 -0.596 0.000 0.828 1523 V N 4.969 124.795 119.914 -0.146 0.000 2.680 1523 V HA 0.568 4.689 4.120 0.000 0.000 0.309 1523 V C -0.748 175.265 176.094 -0.135 0.000 1.052 1523 V CA -1.114 61.116 62.300 -0.118 0.000 0.908 1523 V CB 1.502 33.276 31.823 -0.082 0.000 1.001 1523 V HN 0.296 nan 8.190 nan 0.000 0.431 1524 I N 5.724 126.200 120.570 -0.157 0.000 2.474 1524 I HA 0.444 4.614 4.170 0.000 0.000 0.294 1524 I C -0.329 175.701 176.117 -0.146 0.000 1.005 1524 I CA -0.453 60.747 61.300 -0.167 0.000 1.113 1524 I CB 1.702 39.553 38.000 -0.249 0.000 1.289 1524 I HN 0.638 nan 8.210 nan 0.000 0.436 1525 C N 6.110 125.342 119.300 -0.113 0.000 2.285 1525 C HA 0.846 5.306 4.460 0.000 0.000 0.335 1525 C C 0.434 175.369 174.990 -0.092 0.000 1.267 1525 C CA -0.078 58.883 59.018 -0.095 0.000 1.762 1525 C CB -0.595 27.106 27.740 -0.066 0.000 2.365 1525 C HN 0.869 nan 8.230 nan 0.000 0.527 1526 A N 4.586 127.349 122.820 -0.095 0.000 2.454 1526 A HA 0.926 5.246 4.320 0.000 0.000 0.302 1526 A C -0.141 177.413 177.584 -0.050 0.000 1.079 1526 A CA -0.152 51.837 52.037 -0.080 0.000 0.731 1526 A CB 1.001 19.932 19.000 -0.115 0.000 1.299 1526 A HN 1.398 nan 8.150 nan 0.000 0.413 1527 T N 1.082 115.621 114.554 -0.025 0.000 0.571 1527 T HA -0.097 4.253 4.350 0.000 0.000 0.771 1527 T C 0.101 174.802 174.700 0.001 0.000 0.992 1527 T CA 0.694 62.791 62.100 -0.006 0.000 4.060 1527 T CB -1.324 67.540 68.868 -0.008 0.000 2.294 1527 T HN 1.527 nan 8.240 nan 0.000 0.396 1528 Q N -0.091 119.718 119.800 0.015 0.000 2.481 1528 Q HA -0.284 4.056 4.340 0.000 0.000 0.258 1528 Q C 1.626 177.634 176.000 0.012 0.000 0.961 1528 Q CA 1.540 57.354 55.803 0.018 0.000 1.121 1528 Q CB -1.084 27.665 28.738 0.018 0.000 1.503 1528 Q HN 0.859 nan 8.270 nan 0.000 0.544 1529 M N -1.021 118.584 119.600 0.009 0.000 2.086 1529 M HA -0.135 4.345 4.480 0.000 0.000 0.261 1529 M C 0.931 177.237 176.300 0.010 0.000 1.067 1529 M CA 1.380 56.684 55.300 0.006 0.000 1.116 1529 M CB -0.032 32.570 32.600 0.002 0.000 1.348 1529 M HN 0.141 nan 8.290 nan 0.000 0.407 1530 L N 0.111 121.344 121.223 0.017 0.000 3.186 1530 L HA 0.220 4.560 4.340 0.000 0.000 0.292 1530 L C 1.167 178.054 176.870 0.027 0.000 1.303 1530 L CA 0.206 55.058 54.840 0.019 0.000 0.940 1530 L CB -0.007 42.066 42.059 0.023 0.000 1.358 1530 L HN 0.014 nan 8.230 nan 0.000 0.581 1531 E N -0.066 120.149 120.200 0.026 0.000 2.068 1531 E HA -0.239 4.111 4.350 0.000 0.000 0.207 1531 E C 2.139 178.762 176.600 0.037 0.000 1.032 1531 E CA 2.032 58.451 56.400 0.032 0.000 0.839 1531 E CB 0.066 29.784 29.700 0.030 0.000 0.758 1531 E HN 0.418 nan 8.360 nan 0.000 0.457 1532 S N -0.374 115.344 115.700 0.030 0.000 2.433 1532 S HA -0.315 4.155 4.470 0.000 0.000 0.276 1532 S C 1.673 176.303 174.600 0.049 0.000 1.122 1532 S CA 2.305 60.523 58.200 0.030 0.000 1.277 1532 S CB -0.528 62.680 63.200 0.013 0.000 1.198 1532 S HN 0.417 nan 8.310 nan 0.000 0.440 1533 M N 0.395 120.024 119.600 0.048 0.000 2.772 1533 M HA -0.094 4.386 4.480 0.000 0.000 0.247 1533 M C 1.297 177.693 176.300 0.160 0.000 1.045 1533 M CA 0.727 56.077 55.300 0.084 0.000 1.061 1533 M CB -0.769 31.862 32.600 0.052 0.000 1.380 1533 M HN 0.329 nan 8.290 nan 0.000 0.544 1534 I N -0.327 120.310 120.570 0.112 0.000 2.716 1534 I HA -0.170 4.001 4.170 0.000 0.000 0.259 1534 I C 2.202 178.387 176.117 0.113 0.000 1.172 1534 I CA 0.897 62.252 61.300 0.092 0.000 1.478 1534 I CB 0.004 38.031 38.000 0.045 0.000 1.104 1534 I HN 0.176 nan 8.210 nan 0.000 0.439 1535 K N 0.095 120.582 120.400 0.145 0.000 2.436 1535 K HA 0.283 4.603 4.320 0.000 0.000 0.198 1535 K C 0.337 177.118 176.600 0.302 0.000 1.174 1535 K CA 0.305 56.691 56.287 0.165 0.000 0.951 1535 K CB 0.563 33.105 32.500 0.071 0.000 1.040 1535 K HN 0.088 nan 8.250 nan 0.000 0.536 1536 K N 0.849 121.359 120.400 0.184 0.000 2.166 1536 K HA 0.230 4.551 4.320 0.000 0.000 0.245 1536 K C -1.974 174.407 176.600 -0.365 0.000 0.967 1536 K CA -1.944 54.338 56.287 -0.009 0.000 0.863 1536 K CB 1.727 34.208 32.500 -0.031 0.000 1.107 1536 K HN -0.271 nan 8.250 nan 0.000 0.436 1537 P HA 0.084 nan 4.420 nan 0.000 0.234 1537 P C -0.489 176.600 177.300 -0.351 0.000 1.175 1537 P CA 0.465 63.053 63.100 -0.854 0.000 0.801 1537 P CB 0.628 31.854 31.700 -0.789 0.000 0.891 1538 R N 0.627 120.997 120.500 -0.218 0.000 2.494 1538 R HA 0.459 4.799 4.340 0.000 0.000 0.305 1538 R C -2.383 173.873 176.300 -0.074 0.000 0.959 1538 R CA -2.117 53.914 56.100 -0.115 0.000 0.864 1538 R CB 1.271 31.519 30.300 -0.088 0.000 1.159 1538 R HN 0.012 nan 8.270 nan 0.000 0.446 1539 P HA 0.082 nan 4.420 nan 0.000 0.277 1539 P C -0.397 176.891 177.300 -0.020 0.000 1.271 1539 P CA -0.502 62.583 63.100 -0.025 0.000 0.795 1539 P CB 0.560 32.252 31.700 -0.014 0.000 1.101 1540 T N -1.493 113.054 114.554 -0.011 0.000 2.816 1540 T HA 0.210 4.560 4.350 0.000 0.000 0.282 1540 T C 1.464 176.157 174.700 -0.012 0.000 0.993 1540 T CA -0.571 61.523 62.100 -0.010 0.000 0.994 1540 T CB 0.477 69.342 68.868 -0.006 0.000 1.025 1540 T HN 0.119 nan 8.240 nan 0.000 0.529 1541 R N 1.047 121.540 120.500 -0.012 0.000 2.083 1541 R HA -0.036 4.304 4.340 0.000 0.000 0.237 1541 R C 2.789 179.081 176.300 -0.014 0.000 1.137 1541 R CA 1.819 57.911 56.100 -0.014 0.000 0.951 1541 R CB -1.985 28.306 30.300 -0.015 0.000 0.851 1541 R HN 0.874 nan 8.270 nan 0.000 0.434 1542 A N 1.488 124.300 122.820 -0.014 0.000 1.948 1542 A HA -0.203 4.118 4.320 0.000 0.000 0.220 1542 A C 2.044 179.621 177.584 -0.012 0.000 1.177 1542 A CA 1.736 53.763 52.037 -0.015 0.000 0.636 1542 A CB -0.393 18.598 19.000 -0.015 0.000 0.815 1542 A HN 0.452 nan 8.150 nan 0.000 0.449 1543 E N -0.983 119.213 120.200 -0.008 0.000 2.152 1543 E HA -0.059 4.292 4.350 0.000 0.000 0.192 1543 E C 2.091 178.688 176.600 -0.005 0.000 0.983 1543 E CA 0.588 56.986 56.400 -0.004 0.000 0.818 1543 E CB -0.266 29.433 29.700 -0.001 0.000 0.758 1543 E HN 0.628 nan 8.360 nan 0.000 0.467 1544 G N 1.234 110.030 108.800 -0.007 0.000 2.403 1544 G HA2 -0.258 3.702 3.960 0.000 0.000 0.216 1544 G HA3 -0.258 3.702 3.960 0.000 0.000 0.216 1544 G C 1.711 176.607 174.900 -0.007 0.000 1.154 1544 G CA 0.911 46.007 45.100 -0.007 0.000 0.784 1544 G HN 0.358 nan 8.290 nan 0.000 0.538 1545 S N 0.673 116.367 115.700 -0.010 0.000 2.402 1545 S HA -0.141 4.330 4.470 0.000 0.000 0.229 1545 S C 1.862 176.458 174.600 -0.006 0.000 1.021 1545 S CA 1.831 60.025 58.200 -0.010 0.000 0.974 1545 S CB -0.297 62.894 63.200 -0.016 0.000 0.800 1545 S HN 0.318 nan 8.310 nan 0.000 0.484 1546 D N 1.163 121.559 120.400 -0.007 0.000 2.097 1546 D HA -0.078 4.562 4.640 0.000 0.000 0.197 1546 D C 1.868 178.167 176.300 -0.001 0.000 0.984 1546 D CA 1.479 55.476 54.000 -0.005 0.000 0.826 1546 D CB -0.298 40.499 40.800 -0.005 0.000 0.973 1546 D HN 0.306 nan 8.370 nan 0.000 0.460 1547 V N 0.786 120.699 119.914 -0.001 0.000 2.343 1547 V HA -0.179 3.941 4.120 0.000 0.000 0.247 1547 V C 2.557 178.652 176.094 0.002 0.000 1.051 1547 V CA 1.688 63.988 62.300 -0.001 0.000 1.036 1547 V CB -1.008 30.816 31.823 0.001 0.000 0.654 1547 V HN 0.325 nan 8.190 nan 0.000 0.451 1548 A N 0.732 123.554 122.820 0.003 0.000 1.845 1548 A HA -0.294 4.026 4.320 0.000 0.000 0.215 1548 A C 2.051 179.645 177.584 0.017 0.000 1.195 1548 A CA 2.473 54.515 52.037 0.008 0.000 0.616 1548 A CB -0.977 18.026 19.000 0.006 0.000 0.832 1548 A HN 0.634 nan 8.150 nan 0.000 0.443 1549 N N 0.035 118.745 118.700 0.016 0.000 2.205 1549 N HA -0.070 4.670 4.740 0.000 0.000 0.186 1549 N C 1.804 177.327 175.510 0.021 0.000 1.015 1549 N CA 1.278 54.343 53.050 0.025 0.000 0.862 1549 N CB -0.260 38.238 38.487 0.019 0.000 0.986 1549 N HN 0.523 nan 8.380 nan 0.000 0.429 1550 A N 0.302 123.128 122.820 0.009 0.000 1.902 1550 A HA -0.092 4.229 4.320 0.000 0.000 0.217 1550 A C 2.311 179.895 177.584 0.000 0.000 1.181 1550 A CA 1.183 53.219 52.037 -0.002 0.000 0.623 1550 A CB -0.699 18.295 19.000 -0.010 0.000 0.818 1550 A HN 0.119 nan 8.150 nan 0.000 0.443 1551 V N -0.009 119.910 119.914 0.008 0.000 2.427 1551 V HA -0.201 3.919 4.120 0.000 0.000 0.248 1551 V C 2.486 178.594 176.094 0.023 0.000 1.051 1551 V CA 1.748 64.056 62.300 0.013 0.000 1.048 1551 V CB -0.665 31.168 31.823 0.017 0.000 0.666 1551 V HN 0.556 nan 8.190 nan 0.000 0.456 1552 L N -0.372 120.872 121.223 0.036 0.000 2.201 1552 L HA -0.126 4.214 4.340 0.000 0.000 0.212 1552 L C 2.254 179.151 176.870 0.046 0.000 1.105 1552 L CA 1.107 55.983 54.840 0.059 0.000 0.775 1552 L CB -0.607 41.510 42.059 0.097 0.000 0.913 1552 L HN 0.326 nan 8.230 nan 0.000 0.440 1553 D N 0.206 120.620 120.400 0.025 0.000 2.117 1553 D HA -0.081 4.559 4.640 0.000 0.000 0.198 1553 D C 1.669 177.963 176.300 -0.009 0.000 0.982 1553 D CA 1.680 55.682 54.000 0.004 0.000 0.828 1553 D CB 0.113 40.907 40.800 -0.009 0.000 0.967 1553 D HN 0.396 nan 8.370 nan 0.000 0.464 1554 G N -0.772 108.024 108.800 -0.007 0.000 2.200 1554 G HA2 0.000 3.961 3.960 0.000 0.000 0.145 1554 G HA3 0.000 3.961 3.960 0.000 0.000 0.145 1554 G C 0.284 175.172 174.900 -0.020 0.000 1.021 1554 G CA 0.100 45.194 45.100 -0.010 0.000 0.720 1554 G HN 0.520 nan 8.290 nan 0.000 0.494 1555 A N 0.471 123.276 122.820 -0.026 0.000 2.511 1555 A HA 0.491 4.811 4.320 0.000 0.000 0.242 1555 A C 1.245 178.810 177.584 -0.032 0.000 1.069 1555 A CA 0.904 52.916 52.037 -0.042 0.000 0.763 1555 A CB 0.275 19.248 19.000 -0.045 0.000 1.001 1555 A HN 0.250 nan 8.150 nan 0.000 0.498 1556 D N 0.629 120.998 120.400 -0.051 0.000 2.149 1556 D HA -0.013 4.627 4.640 0.000 0.000 0.201 1556 D C 0.257 176.533 176.300 -0.040 0.000 0.972 1556 D CA 1.237 55.211 54.000 -0.044 0.000 0.835 1556 D CB 0.100 40.840 40.800 -0.100 0.000 0.966 1556 D HN 0.526 nan 8.370 nan 0.000 0.476 1557 C N 0.297 119.560 119.300 -0.061 0.000 3.080 1557 C HA 0.655 5.116 4.460 0.000 0.000 0.307 1557 C C -0.365 174.592 174.990 -0.054 0.000 1.311 1557 C CA -0.973 58.015 59.018 -0.050 0.000 1.533 1557 C CB 2.219 29.920 27.740 -0.065 0.000 1.970 1557 C HN 0.171 nan 8.230 nan 0.000 0.467 1558 I N -0.180 120.367 120.570 -0.038 0.000 2.828 1558 I HA 0.790 4.960 4.170 0.000 0.000 0.302 1558 I C -1.036 175.065 176.117 -0.027 0.000 1.101 1558 I CA -0.799 60.480 61.300 -0.034 0.000 1.031 1558 I CB 1.900 39.890 38.000 -0.017 0.000 1.231 1558 I HN 0.668 nan 8.210 nan 0.000 0.427 1559 M N 4.054 123.638 119.600 -0.026 0.000 2.644 1559 M HA 0.660 5.140 4.480 0.000 0.000 0.304 1559 M C -2.005 174.300 176.300 0.009 0.000 1.215 1559 M CA -0.723 54.572 55.300 -0.009 0.000 0.871 1559 M CB 2.978 35.559 32.600 -0.031 0.000 1.740 1559 M HN 0.609 nan 8.290 nan 0.000 0.464 1560 L N 1.117 122.357 121.223 0.028 0.000 2.386 1560 L HA 0.552 4.893 4.340 0.000 0.000 0.271 1560 L C -0.372 176.530 176.870 0.053 0.000 0.993 1560 L CA -0.241 54.621 54.840 0.037 0.000 0.819 1560 L CB 2.221 44.304 42.059 0.040 0.000 1.294 1560 L HN 0.768 nan 8.230 nan 0.000 0.414 1561 S N 0.779 116.510 115.700 0.051 0.000 3.152 1561 S HA 0.197 4.667 4.470 0.000 0.000 0.173 1561 S C 1.541 176.173 174.600 0.053 0.000 0.751 1561 S CA 0.408 58.645 58.200 0.063 0.000 0.933 1561 S CB -0.136 63.103 63.200 0.066 0.000 0.877 1561 S HN 0.868 nan 8.310 nan 0.000 0.766 1562 G N 1.388 110.215 108.800 0.045 0.000 2.469 1562 G HA2 -0.238 3.722 3.960 0.000 0.000 0.219 1562 G HA3 -0.238 3.722 3.960 0.000 0.000 0.219 1562 G C 1.012 175.931 174.900 0.032 0.000 1.150 1562 G CA 1.491 46.610 45.100 0.031 0.000 0.763 1562 G HN 0.575 nan 8.290 nan 0.000 0.561 1563 E N -0.021 120.204 120.200 0.042 0.000 2.136 1563 E HA -0.202 4.148 4.350 0.000 0.000 0.202 1563 E C 2.765 179.395 176.600 0.049 0.000 1.019 1563 E CA 2.187 58.617 56.400 0.051 0.000 0.819 1563 E CB -0.334 29.397 29.700 0.052 0.000 0.739 1563 E HN 0.659 nan 8.360 nan 0.000 0.458 1564 T N -2.547 112.034 114.554 0.045 0.000 3.045 1564 T HA 0.303 4.653 4.350 0.000 0.000 0.239 1564 T C 2.123 176.845 174.700 0.037 0.000 1.008 1564 T CA 0.394 62.520 62.100 0.043 0.000 1.143 1564 T CB -0.363 68.533 68.868 0.046 0.000 0.894 1564 T HN 0.154 nan 8.240 nan 0.000 0.451 1565 A N 3.307 126.152 122.820 0.041 0.000 1.917 1565 A HA -0.124 4.196 4.320 0.000 0.000 0.219 1565 A C 2.224 179.819 177.584 0.020 0.000 1.182 1565 A CA 2.387 54.448 52.037 0.040 0.000 0.633 1565 A CB -0.526 18.494 19.000 0.033 0.000 0.819 1565 A HN 0.844 nan 8.150 nan 0.000 0.448 1566 K N -2.964 117.438 120.400 0.003 0.000 2.603 1566 K HA 0.257 4.577 4.320 0.000 0.000 0.216 1566 K C 0.865 177.451 176.600 -0.024 0.000 1.562 1566 K CA 0.325 56.603 56.287 -0.015 0.000 1.012 1566 K CB -0.389 32.091 32.500 -0.033 0.000 1.280 1566 K HN 0.278 nan 8.250 nan 0.000 0.620 1567 G N 1.151 109.945 108.800 -0.009 0.000 2.683 1567 G HA2 0.016 3.976 3.960 0.000 0.000 0.260 1567 G HA3 0.016 3.976 3.960 0.000 0.000 0.260 1567 G C -0.212 174.650 174.900 -0.064 0.000 1.238 1567 G CA -0.052 45.040 45.100 -0.013 0.000 0.934 1567 G HN 0.100 nan 8.290 nan 0.000 0.534 1568 D N -1.313 119.014 120.400 -0.123 0.000 2.289 1568 D HA 0.019 4.659 4.640 0.000 0.000 0.207 1568 D C 0.165 176.145 176.300 -0.533 0.000 0.966 1568 D CA 1.057 54.836 54.000 -0.369 0.000 0.868 1568 D CB 0.178 40.639 40.800 -0.564 0.000 0.943 1568 D HN 0.348 nan 8.370 nan 0.000 0.514 1569 Y N -0.183 120.118 120.300 0.001 0.000 2.516 1569 Y HA 0.234 4.785 4.550 0.000 0.000 0.341 1569 Y C -1.643 174.262 175.900 0.008 0.000 0.912 1569 Y CA -2.056 56.047 58.100 0.004 0.000 1.167 1569 Y CB 1.026 39.488 38.460 0.004 0.000 1.195 1569 Y HN -0.067 nan 8.280 nan 0.000 0.610 1570 P HA -0.236 nan 4.420 nan 0.000 0.212 1570 P C 1.677 179.023 177.300 0.077 0.000 1.178 1570 P CA 1.654 64.796 63.100 0.071 0.000 0.915 1570 P CB 0.454 32.177 31.700 0.038 0.000 0.788 1571 L N -0.797 120.471 121.223 0.075 0.000 2.021 1571 L HA -0.238 4.102 4.340 0.000 0.000 0.215 1571 L C 2.563 179.475 176.870 0.071 0.000 1.074 1571 L CA 1.895 56.774 54.840 0.065 0.000 0.760 1571 L CB -1.296 40.800 42.059 0.062 0.000 0.889 1571 L HN -0.041 nan 8.230 nan 0.000 0.433 1572 E N 0.216 120.477 120.200 0.102 0.000 2.110 1572 E HA -0.172 4.178 4.350 0.000 0.000 0.193 1572 E C 2.267 178.899 176.600 0.053 0.000 0.988 1572 E CA 1.306 57.747 56.400 0.068 0.000 0.804 1572 E CB -0.415 29.311 29.700 0.043 0.000 0.745 1572 E HN 0.468 nan 8.360 nan 0.000 0.458 1573 A N 0.588 123.451 122.820 0.072 0.000 1.883 1573 A HA -0.191 4.130 4.320 0.000 0.000 0.217 1573 A C 2.484 180.098 177.584 0.050 0.000 1.186 1573 A CA 1.678 53.749 52.037 0.057 0.000 0.624 1573 A CB -0.892 18.148 19.000 0.067 0.000 0.822 1573 A HN 0.146 nan 8.150 nan 0.000 0.444 1574 V N 0.135 120.080 119.914 0.051 0.000 2.233 1574 V HA -0.334 3.786 4.120 0.000 0.000 0.247 1574 V C 2.620 178.755 176.094 0.068 0.000 1.050 1574 V CA 2.435 64.764 62.300 0.048 0.000 1.010 1574 V CB -0.960 30.883 31.823 0.032 0.000 0.637 1574 V HN 0.556 nan 8.190 nan 0.000 0.444 1575 R N -0.695 119.842 120.500 0.061 0.000 2.103 1575 R HA -0.246 4.094 4.340 0.000 0.000 0.242 1575 R C 2.253 178.622 176.300 0.116 0.000 1.142 1575 R CA 2.091 58.241 56.100 0.083 0.000 0.960 1575 R CB -0.513 29.817 30.300 0.050 0.000 0.858 1575 R HN 0.436 nan 8.270 nan 0.000 0.439 1576 M N 1.005 120.647 119.600 0.071 0.000 2.175 1576 M HA -0.154 4.327 4.480 0.000 0.000 0.264 1576 M C 1.959 178.293 176.300 0.055 0.000 1.063 1576 M CA 1.719 57.051 55.300 0.053 0.000 1.119 1576 M CB -0.079 32.536 32.600 0.025 0.000 1.377 1576 M HN 0.049 nan 8.290 nan 0.000 0.415 1577 Q N -1.330 118.508 119.800 0.062 0.000 2.050 1577 Q HA -0.255 4.085 4.340 0.000 0.000 0.202 1577 Q C 2.141 178.181 176.000 0.066 0.000 0.980 1577 Q CA 2.056 57.890 55.803 0.052 0.000 0.840 1577 Q CB -0.504 28.263 28.738 0.047 0.000 0.898 1577 Q HN 0.708 nan 8.270 nan 0.000 0.424 1578 H N 0.549 119.629 119.070 0.017 0.000 2.265 1578 H HA -0.200 4.356 4.556 0.000 0.000 0.295 1578 H C 1.888 177.236 175.328 0.034 0.000 1.084 1578 H CA 1.824 57.888 56.048 0.028 0.000 1.261 1578 H CB -0.313 29.466 29.762 0.028 0.000 1.360 1578 H HN 0.101 nan 8.280 nan 0.000 0.487 1579 L N 0.282 121.531 121.223 0.044 0.000 1.978 1579 L HA -0.215 4.125 4.340 0.000 0.000 0.218 1579 L C 2.624 179.458 176.870 -0.060 0.000 1.075 1579 L CA 1.970 56.804 54.840 -0.010 0.000 0.767 1579 L CB -0.915 41.172 42.059 0.047 0.000 0.890 1579 L HN 0.476 nan 8.230 nan 0.000 0.434 1580 I N -1.617 118.934 120.570 -0.031 0.000 2.286 1580 I HA -0.259 3.911 4.170 0.000 0.000 0.245 1580 I C 2.499 178.593 176.117 -0.037 0.000 1.104 1580 I CA 0.948 62.233 61.300 -0.025 0.000 1.397 1580 I CB -0.489 37.506 38.000 -0.009 0.000 1.072 1580 I HN 0.285 nan 8.210 nan 0.000 0.417 1581 A N 0.928 123.717 122.820 -0.053 0.000 1.859 1581 A HA -0.260 4.060 4.320 0.000 0.000 0.217 1581 A C 2.425 179.982 177.584 -0.044 0.000 1.198 1581 A CA 1.659 53.670 52.037 -0.043 0.000 0.629 1581 A CB -0.712 18.259 19.000 -0.048 0.000 0.830 1581 A HN 0.255 nan 8.150 nan 0.000 0.446 1582 R N -0.903 119.532 120.500 -0.108 0.000 2.133 1582 R HA -0.230 4.111 4.340 0.000 0.000 0.245 1582 R C 2.172 178.459 176.300 -0.021 0.000 1.137 1582 R CA 2.070 58.121 56.100 -0.082 0.000 0.947 1582 R CB -0.480 29.720 30.300 -0.165 0.000 0.865 1582 R HN 0.578 nan 8.270 nan 0.000 0.437 1583 E N -0.134 120.049 120.200 -0.028 0.000 2.077 1583 E HA -0.101 4.249 4.350 0.000 0.000 0.193 1583 E C 1.691 178.298 176.600 0.011 0.000 0.989 1583 E CA 1.613 58.008 56.400 -0.007 0.000 0.800 1583 E CB -0.174 29.517 29.700 -0.015 0.000 0.746 1583 E HN 0.392 nan 8.360 nan 0.000 0.452 1584 A N 0.282 123.109 122.820 0.011 0.000 1.970 1584 A HA -0.084 4.236 4.320 0.000 0.000 0.216 1584 A C 1.914 179.531 177.584 0.055 0.000 1.170 1584 A CA 1.101 53.156 52.037 0.029 0.000 0.645 1584 A CB -0.357 18.656 19.000 0.023 0.000 0.816 1584 A HN 0.228 nan 8.150 nan 0.000 0.447 1585 E N 0.162 120.399 120.200 0.062 0.000 2.118 1585 E HA -0.178 4.172 4.350 0.000 0.000 0.195 1585 E C 2.210 178.926 176.600 0.194 0.000 0.992 1585 E CA 1.090 57.557 56.400 0.112 0.000 0.804 1585 E CB -0.272 29.494 29.700 0.110 0.000 0.741 1585 E HN 0.641 nan 8.360 nan 0.000 0.458 1586 A N 1.343 124.253 122.820 0.150 0.000 1.873 1586 A HA -0.019 4.301 4.320 0.000 0.000 0.215 1586 A C 2.367 180.068 177.584 0.195 0.000 1.186 1586 A CA 1.434 53.575 52.037 0.174 0.000 0.616 1586 A CB -0.537 18.513 19.000 0.084 0.000 0.823 1586 A HN 0.283 nan 8.150 nan 0.000 0.442 1587 A N -0.512 122.379 122.820 0.119 0.000 2.121 1587 A HA 0.171 4.492 4.320 0.000 0.000 0.218 1587 A C 1.277 178.992 177.584 0.217 0.000 1.154 1587 A CA 0.485 52.580 52.037 0.097 0.000 0.679 1587 A CB -0.661 18.358 19.000 0.031 0.000 0.795 1587 A HN 0.600 nan 8.150 nan 0.000 0.458 1588 M N -0.948 118.731 119.600 0.131 0.000 2.252 1588 M HA 0.064 4.544 4.480 0.000 0.000 0.321 1588 M C -0.008 176.336 176.300 0.072 0.000 1.070 1588 M CA 0.192 55.508 55.300 0.027 0.000 1.143 1588 M CB 0.033 32.433 32.600 -0.334 0.000 1.498 1588 M HN 0.277 nan 8.290 nan 0.000 0.445 1589 F N 3.580 123.372 119.950 -0.263 0.000 2.573 1589 F HA 0.210 4.737 4.527 0.000 0.000 0.349 1589 F C 1.271 176.951 175.800 -0.200 0.000 1.213 1589 F CA -0.677 57.014 58.000 -0.516 0.000 1.300 1589 F CB -0.930 37.633 39.000 -0.728 0.000 1.661 1589 F HN 0.562 nan 8.300 nan 0.000 0.616 1590 H N 1.461 120.574 119.070 0.071 0.000 2.353 1590 H HA -0.191 4.365 4.556 0.000 0.000 0.298 1590 H C 2.320 177.525 175.328 -0.205 0.000 1.103 1590 H CA 1.406 57.417 56.048 -0.062 0.000 1.293 1590 H CB 0.173 29.854 29.762 -0.134 0.000 1.372 1590 H HN 0.414 nan 8.280 nan 0.000 0.501 1591 R N 1.607 121.997 120.500 -0.183 0.000 2.122 1591 R HA -0.176 4.164 4.340 0.000 0.000 0.236 1591 R C 2.304 178.464 176.300 -0.234 0.000 1.129 1591 R CA 1.866 57.812 56.100 -0.257 0.000 0.925 1591 R CB -0.302 29.862 30.300 -0.227 0.000 0.850 1591 R HN 0.184 nan 8.270 nan 0.000 0.431 1592 K N 0.309 120.337 120.400 -0.620 0.000 2.057 1592 K HA -0.154 4.166 4.320 0.000 0.000 0.207 1592 K C 2.080 178.559 176.600 -0.201 0.000 1.049 1592 K CA 1.256 57.235 56.287 -0.514 0.000 0.931 1592 K CB -0.439 31.522 32.500 -0.898 0.000 0.714 1592 K HN 0.113 nan 8.250 nan 0.000 0.440 1593 L N 0.094 121.231 121.223 -0.143 0.000 2.042 1593 L HA -0.131 4.209 4.340 0.000 0.000 0.210 1593 L C 1.917 178.845 176.870 0.097 0.000 1.076 1593 L CA 1.714 56.551 54.840 -0.005 0.000 0.749 1593 L CB -0.678 41.395 42.059 0.023 0.000 0.893 1593 L HN 0.217 nan 8.230 nan 0.000 0.432 1594 F N 0.622 120.607 119.950 0.059 0.000 2.102 1594 F HA -0.180 4.347 4.527 0.000 0.000 0.298 1594 F C 2.309 178.174 175.800 0.108 0.000 1.105 1594 F CA 2.022 60.124 58.000 0.170 0.000 1.239 1594 F CB -0.256 38.915 39.000 0.285 0.000 0.991 1594 F HN 0.236 nan 8.300 nan 0.000 0.474 1595 E N 0.096 120.393 120.200 0.162 0.000 2.058 1595 E HA -0.259 4.091 4.350 0.000 0.000 0.194 1595 E C 2.091 178.662 176.600 -0.048 0.000 0.997 1595 E CA 1.851 58.276 56.400 0.042 0.000 0.801 1595 E CB -0.374 29.350 29.700 0.041 0.000 0.746 1595 E HN 0.588 nan 8.360 nan 0.000 0.450 1596 E N 0.438 120.613 120.200 -0.042 0.000 2.077 1596 E HA -0.192 4.158 4.350 0.000 0.000 0.193 1596 E C 2.077 178.648 176.600 -0.048 0.000 0.989 1596 E CA 0.602 56.975 56.400 -0.045 0.000 0.800 1596 E CB -0.026 29.646 29.700 -0.047 0.000 0.746 1596 E HN 0.091 nan 8.360 nan 0.000 0.452 1597 L N 0.830 122.016 121.223 -0.060 0.000 2.042 1597 L HA -0.172 4.168 4.340 0.000 0.000 0.210 1597 L C 2.333 179.183 176.870 -0.033 0.000 1.076 1597 L CA 1.830 56.635 54.840 -0.058 0.000 0.749 1597 L CB -1.280 40.748 42.059 -0.052 0.000 0.893 1597 L HN 0.076 nan 8.230 nan 0.000 0.432 1598 A N -1.160 121.578 122.820 -0.138 0.000 1.898 1598 A HA -0.190 4.130 4.320 0.000 0.000 0.216 1598 A C 2.457 180.011 177.584 -0.049 0.000 1.181 1598 A CA 1.143 53.098 52.037 -0.136 0.000 0.620 1598 A CB -0.438 18.396 19.000 -0.276 0.000 0.819 1598 A HN 0.291 nan 8.150 nan 0.000 0.442 1599 R N -0.041 120.435 120.500 -0.040 0.000 2.103 1599 R HA -0.168 4.172 4.340 0.000 0.000 0.242 1599 R C 2.708 179.020 176.300 0.021 0.000 1.142 1599 R CA 1.850 57.944 56.100 -0.010 0.000 0.960 1599 R CB -0.414 29.879 30.300 -0.012 0.000 0.858 1599 R HN 0.697 nan 8.270 nan 0.000 0.439 1600 S N -0.324 115.390 115.700 0.023 0.000 2.368 1600 S HA -0.133 4.337 4.470 0.000 0.000 0.224 1600 S C 1.952 176.635 174.600 0.138 0.000 1.029 1600 S CA 1.810 60.046 58.200 0.061 0.000 0.988 1600 S CB -0.181 63.038 63.200 0.032 0.000 0.838 1600 S HN 0.313 nan 8.310 nan 0.000 0.462 1601 S N 1.083 116.831 115.700 0.080 0.000 2.603 1601 S HA 0.024 4.495 4.470 0.000 0.000 0.220 1601 S C 1.874 176.376 174.600 -0.163 0.000 0.967 1601 S CA 0.973 59.179 58.200 0.010 0.000 0.920 1601 S CB -0.910 62.356 63.200 0.111 0.000 0.773 1601 S HN 0.799 nan 8.310 nan 0.000 0.529 1602 S N 2.283 117.972 115.700 -0.018 0.000 2.387 1602 S HA -0.269 4.201 4.470 0.000 0.000 0.230 1602 S C 1.961 176.528 174.600 -0.054 0.000 1.035 1602 S CA 1.490 59.672 58.200 -0.030 0.000 1.014 1602 S CB -1.290 61.922 63.200 0.020 0.000 0.836 1602 S HN 0.947 nan 8.310 nan 0.000 0.466 1603 H N 1.177 120.245 119.070 -0.004 0.000 2.353 1603 H HA 0.133 4.689 4.556 0.000 0.000 0.300 1603 H C 1.225 176.550 175.328 -0.005 0.000 1.090 1603 H CA 1.157 57.201 56.048 -0.005 0.000 1.327 1603 H CB -1.273 28.485 29.762 -0.006 0.000 1.383 1603 H HN 0.447 nan 8.280 nan 0.000 0.508 1604 S N 1.110 116.320 115.700 -0.816 0.000 2.549 1604 S HA 0.089 4.559 4.470 0.000 0.000 0.286 1604 S C 0.960 175.429 174.600 -0.218 0.000 1.314 1604 S CA 0.376 58.294 58.200 -0.471 0.000 1.062 1604 S CB 0.325 63.190 63.200 -0.558 0.000 0.865 1604 S HN 0.729 nan 8.310 nan 0.000 0.498 1605 T N 0.562 115.038 114.554 -0.130 0.000 3.170 1605 T HA 0.194 4.544 4.350 0.000 0.000 0.288 1605 T C -0.036 174.605 174.700 -0.098 0.000 0.992 1605 T CA -0.507 61.535 62.100 -0.097 0.000 0.909 1605 T CB -0.163 68.666 68.868 -0.065 0.000 1.133 1605 T HN 0.580 nan 8.240 nan 0.000 0.530 1606 D N 1.301 121.638 120.400 -0.106 0.000 2.629 1606 D HA -0.013 4.627 4.640 0.000 0.000 0.228 1606 D C 1.078 177.281 176.300 -0.163 0.000 1.127 1606 D CA -0.268 53.657 54.000 -0.126 0.000 0.855 1606 D CB 0.531 41.269 40.800 -0.102 0.000 1.180 1606 D HN -0.016 nan 8.370 nan 0.000 0.484 1607 L N 3.697 124.771 121.223 -0.248 0.000 2.027 1607 L HA -0.085 4.255 4.340 0.000 0.000 0.206 1607 L C 2.277 178.936 176.870 -0.352 0.000 1.074 1607 L CA 1.440 56.095 54.840 -0.309 0.000 0.745 1607 L CB -0.832 40.944 42.059 -0.473 0.000 0.898 1607 L HN 0.643 nan 8.230 nan 0.000 0.433 1608 M N -0.608 118.685 119.600 -0.511 0.000 2.213 1608 M HA -0.193 4.287 4.480 0.000 0.000 0.263 1608 M C 2.106 178.374 176.300 -0.054 0.000 1.062 1608 M CA 1.580 56.730 55.300 -0.251 0.000 1.105 1608 M CB -0.342 32.142 32.600 -0.193 0.000 1.385 1608 M HN 0.247 nan 8.290 nan 0.000 0.417 1609 E N -0.596 119.565 120.200 -0.065 0.000 2.077 1609 E HA -0.156 4.194 4.350 0.000 0.000 0.193 1609 E C 1.923 178.453 176.600 -0.116 0.000 0.989 1609 E CA 1.240 57.632 56.400 -0.014 0.000 0.800 1609 E CB -0.194 29.505 29.700 -0.001 0.000 0.746 1609 E HN 0.657 nan 8.360 nan 0.000 0.452 1610 A N 0.739 123.497 122.820 -0.104 0.000 1.902 1610 A HA -0.209 4.111 4.320 0.000 0.000 0.217 1610 A C 2.079 179.633 177.584 -0.050 0.000 1.181 1610 A CA 1.302 53.282 52.037 -0.094 0.000 0.623 1610 A CB -0.354 18.607 19.000 -0.064 0.000 0.818 1610 A HN 0.167 nan 8.150 nan 0.000 0.443 1611 M N -0.141 119.466 119.600 0.011 0.000 2.073 1611 M HA -0.197 4.283 4.480 0.000 0.000 0.258 1611 M C 2.543 178.861 176.300 0.030 0.000 1.070 1611 M CA 1.778 57.116 55.300 0.063 0.000 1.103 1611 M CB -1.777 30.926 32.600 0.172 0.000 1.321 1611 M HN 0.487 nan 8.290 nan 0.000 0.405 1612 A N 0.381 123.219 122.820 0.031 0.000 1.859 1612 A HA -0.241 4.079 4.320 0.000 0.000 0.217 1612 A C 2.266 179.838 177.584 -0.020 0.000 1.198 1612 A CA 2.419 54.486 52.037 0.049 0.000 0.629 1612 A CB -0.755 18.335 19.000 0.151 0.000 0.830 1612 A HN 0.564 nan 8.150 nan 0.000 0.446 1613 M N -0.802 118.689 119.600 -0.181 0.000 2.080 1613 M HA -0.129 4.352 4.480 0.000 0.000 0.260 1613 M C 2.365 178.683 176.300 0.030 0.000 1.068 1613 M CA 1.653 56.883 55.300 -0.118 0.000 1.109 1613 M CB -0.938 31.472 32.600 -0.317 0.000 1.342 1613 M HN 0.513 nan 8.290 nan 0.000 0.405 1614 G N -0.196 108.592 108.800 -0.020 0.000 2.422 1614 G HA2 -0.182 3.778 3.960 0.000 0.000 0.218 1614 G HA3 -0.182 3.778 3.960 0.000 0.000 0.218 1614 G C 1.607 176.473 174.900 -0.056 0.000 1.146 1614 G CA 1.196 46.282 45.100 -0.024 0.000 0.769 1614 G HN 0.461 nan 8.290 nan 0.000 0.547 1615 S N 0.090 115.764 115.700 -0.044 0.000 2.356 1615 S HA -0.106 4.364 4.470 0.000 0.000 0.223 1615 S C 2.497 177.015 174.600 -0.137 0.000 1.032 1615 S CA 1.197 59.361 58.200 -0.060 0.000 1.005 1615 S CB -0.321 62.868 63.200 -0.019 0.000 0.867 1615 S HN 0.187 nan 8.310 nan 0.000 0.449 1616 V N 1.981 121.800 119.914 -0.158 0.000 2.295 1616 V HA -0.164 3.957 4.120 0.000 0.000 0.246 1616 V C 2.593 178.274 176.094 -0.689 0.000 1.049 1616 V CA 2.024 64.102 62.300 -0.370 0.000 1.024 1616 V CB -0.776 30.945 31.823 -0.170 0.000 0.648 1616 V HN 0.398 nan 8.190 nan 0.000 0.447 1617 E N 1.188 121.073 120.200 -0.525 0.000 2.086 1617 E HA -0.262 4.089 4.350 0.000 0.000 0.200 1617 E C 2.105 178.549 176.600 -0.259 0.000 1.012 1617 E CA 2.133 58.260 56.400 -0.456 0.000 0.812 1617 E CB -0.606 28.961 29.700 -0.221 0.000 0.743 1617 E HN 0.511 nan 8.360 nan 0.000 0.453 1618 A N 0.229 122.936 122.820 -0.189 0.000 1.902 1618 A HA -0.194 4.126 4.320 0.000 0.000 0.217 1618 A C 2.436 179.945 177.584 -0.126 0.000 1.181 1618 A CA 2.578 54.544 52.037 -0.117 0.000 0.623 1618 A CB -1.160 17.787 19.000 -0.087 0.000 0.818 1618 A HN 0.474 nan 8.150 nan 0.000 0.443 1619 S N -0.934 114.646 115.700 -0.200 0.000 2.370 1619 S HA -0.252 4.219 4.470 0.000 0.000 0.226 1619 S C 1.902 176.438 174.600 -0.107 0.000 1.033 1619 S CA 1.713 59.807 58.200 -0.177 0.000 1.011 1619 S CB -0.878 62.187 63.200 -0.225 0.000 0.852 1619 S HN 0.515 nan 8.310 nan 0.000 0.457 1620 Y N 2.350 122.571 120.300 -0.131 0.000 2.089 1620 Y HA 0.033 4.583 4.550 0.000 0.000 0.282 1620 Y C 2.747 178.591 175.900 -0.094 0.000 1.139 1620 Y CA 1.131 59.152 58.100 -0.131 0.000 1.123 1620 Y CB -1.266 37.086 38.460 -0.180 0.000 0.980 1620 Y HN 0.243 nan 8.280 nan 0.000 0.493 1621 K N 0.832 121.279 120.400 0.078 0.000 2.034 1621 K HA -0.204 4.116 4.320 0.000 0.000 0.214 1621 K C 1.950 178.558 176.600 0.014 0.000 1.051 1621 K CA 2.116 58.420 56.287 0.029 0.000 0.931 1621 K CB -0.906 31.594 32.500 -0.000 0.000 0.715 1621 K HN 0.529 nan 8.250 nan 0.000 0.446 1622 C N -0.143 119.156 119.300 -0.001 0.000 2.693 1622 C HA 0.463 4.923 4.460 0.000 0.000 0.286 1622 C C 0.717 175.705 174.990 -0.003 0.000 1.277 1622 C CA -0.713 58.301 59.018 -0.007 0.000 1.705 1622 C CB -1.523 26.205 27.740 -0.020 0.000 1.879 1622 C HN 0.500 nan 8.230 nan 0.000 0.607 1623 L N 0.340 121.570 121.223 0.011 0.000 3.742 1623 L HA -0.260 4.080 4.340 0.000 0.000 0.431 1623 L C 1.289 178.159 176.870 0.000 0.000 1.220 1623 L CA 0.285 55.134 54.840 0.014 0.000 0.863 1623 L CB -2.312 39.755 42.059 0.014 0.000 1.751 1623 L HN 0.736 nan 8.230 nan 0.000 0.922 1624 A N -0.066 122.744 122.820 -0.017 0.000 2.583 1624 A HA 0.351 4.672 4.320 0.000 0.000 0.231 1624 A C 1.465 179.048 177.584 -0.002 0.000 1.065 1624 A CA 0.892 52.914 52.037 -0.026 0.000 0.760 1624 A CB 0.374 19.345 19.000 -0.047 0.000 1.001 1624 A HN 0.666 nan 8.150 nan 0.000 0.509 1625 A N 0.834 123.666 122.820 0.020 0.000 2.123 1625 A HA 0.524 4.844 4.320 0.000 0.000 0.214 1625 A C 1.049 178.713 177.584 0.134 0.000 1.152 1625 A CA 1.699 53.801 52.037 0.109 0.000 0.728 1625 A CB -0.499 18.644 19.000 0.238 0.000 0.814 1625 A HN 2.525 nan 8.150 nan 0.000 0.464 1626 A N -2.019 120.848 122.820 0.079 0.000 2.490 1626 A HA 0.591 4.911 4.320 0.000 0.000 0.292 1626 A C -2.049 175.551 177.584 0.027 0.000 1.047 1626 A CA -0.613 51.468 52.037 0.074 0.000 0.632 1626 A CB 0.109 19.277 19.000 0.280 0.000 1.323 1626 A HN 0.366 nan 8.150 nan 0.000 0.448 1627 L N 0.475 121.717 121.223 0.032 0.000 2.385 1627 L HA 0.681 5.021 4.340 0.000 0.000 0.273 1627 L C -0.690 176.209 176.870 0.049 0.000 0.990 1627 L CA -0.031 54.820 54.840 0.020 0.000 0.821 1627 L CB 1.812 43.879 42.059 0.013 0.000 1.279 1627 L HN 0.597 nan 8.230 nan 0.000 0.412 1628 I N 3.346 123.936 120.570 0.034 0.000 2.354 1628 I HA 0.543 4.713 4.170 0.000 0.000 0.292 1628 I C -0.813 175.321 176.117 0.027 0.000 0.989 1628 I CA -0.785 60.544 61.300 0.047 0.000 1.188 1628 I CB 1.823 39.842 38.000 0.032 0.000 1.342 1628 I HN 0.211 nan 8.210 nan 0.000 0.457 1629 V N 7.184 127.119 119.914 0.034 0.000 2.588 1629 V HA 0.392 4.512 4.120 0.000 0.000 0.304 1629 V C -0.486 175.609 176.094 0.003 0.000 1.042 1629 V CA -0.683 61.626 62.300 0.017 0.000 0.877 1629 V CB 2.036 33.871 31.823 0.021 0.000 0.996 1629 V HN 0.350 nan 8.190 nan 0.000 0.425 1630 L N 4.140 125.354 121.223 -0.015 0.000 2.272 1630 L HA 0.785 5.125 4.340 0.000 0.000 0.289 1630 L C 0.211 177.073 176.870 -0.012 0.000 1.032 1630 L CA 0.686 55.509 54.840 -0.028 0.000 0.810 1630 L CB 1.405 43.418 42.059 -0.077 0.000 1.205 1630 L HN 0.865 nan 8.230 nan 0.000 0.422 1631 T N 1.237 115.785 114.554 -0.009 0.000 2.853 1631 T HA 0.469 4.819 4.350 0.000 0.000 0.311 1631 T C 0.133 174.835 174.700 0.004 0.000 1.307 1631 T CA -0.378 61.718 62.100 -0.007 0.000 1.019 1631 T CB 1.338 70.174 68.868 -0.054 0.000 1.264 1631 T HN 0.624 nan 8.240 nan 0.000 0.497 1632 E N 0.910 121.120 120.200 0.016 0.000 2.367 1632 E HA 0.075 4.426 4.350 0.000 0.000 0.204 1632 E C 2.011 178.622 176.600 0.018 0.000 0.840 1632 E CA 0.887 57.306 56.400 0.031 0.000 1.051 1632 E CB 0.065 29.798 29.700 0.056 0.000 1.051 1632 E HN 0.616 nan 8.360 nan 0.000 0.509 1633 S N -0.107 115.594 115.700 0.001 0.000 2.395 1633 S HA 0.070 4.540 4.470 0.000 0.000 0.225 1633 S C 1.739 176.297 174.600 -0.070 0.000 1.027 1633 S CA 1.733 59.929 58.200 -0.007 0.000 0.965 1633 S CB 0.185 63.387 63.200 0.002 0.000 0.812 1633 S HN 0.317 nan 8.310 nan 0.000 0.482 1634 G N 1.248 109.941 108.800 -0.180 0.000 2.218 1634 G HA2 -0.248 3.712 3.960 0.000 0.000 0.216 1634 G HA3 -0.248 3.712 3.960 0.000 0.000 0.216 1634 G C 0.977 175.306 174.900 -0.952 0.000 0.994 1634 G CA 0.229 45.071 45.100 -0.431 0.000 0.637 1634 G HN 0.541 nan 8.290 nan 0.000 0.505 1635 R N 1.249 121.403 120.500 -0.578 0.000 2.091 1635 R HA 0.029 4.369 4.340 0.000 0.000 0.238 1635 R C 2.691 178.842 176.300 -0.249 0.000 1.136 1635 R CA 1.832 57.678 56.100 -0.423 0.000 0.959 1635 R CB -0.560 29.681 30.300 -0.097 0.000 0.856 1635 R HN 0.349 nan 8.270 nan 0.000 0.437 1636 S N 0.910 116.531 115.700 -0.131 0.000 2.383 1636 S HA -0.173 4.298 4.470 0.000 0.000 0.229 1636 S C 2.134 176.712 174.600 -0.037 0.000 1.030 1636 S CA 1.323 59.517 58.200 -0.010 0.000 1.002 1636 S CB -0.234 62.999 63.200 0.055 0.000 0.829 1636 S HN 0.530 nan 8.310 nan 0.000 0.467 1637 A N 1.728 124.458 122.820 -0.150 0.000 1.897 1637 A HA -0.120 4.200 4.320 0.000 0.000 0.215 1637 A C 1.822 179.392 177.584 -0.023 0.000 1.181 1637 A CA 1.341 53.324 52.037 -0.089 0.000 0.620 1637 A CB -0.830 18.107 19.000 -0.104 0.000 0.821 1637 A HN 0.506 nan 8.150 nan 0.000 0.443 1638 H N -0.744 118.212 119.070 -0.189 0.000 2.352 1638 H HA -0.133 4.423 4.556 0.000 0.000 0.299 1638 H C 2.105 177.425 175.328 -0.014 0.000 1.097 1638 H CA 1.857 57.762 56.048 -0.238 0.000 1.311 1638 H CB -0.604 28.915 29.762 -0.406 0.000 1.377 1638 H HN 0.527 nan 8.280 nan 0.000 0.504 1639 Q N 0.601 120.482 119.800 0.135 0.000 2.124 1639 Q HA -0.075 4.265 4.340 0.000 0.000 0.202 1639 Q C 2.407 178.556 176.000 0.248 0.000 0.977 1639 Q CA 0.996 56.904 55.803 0.175 0.000 0.850 1639 Q CB -0.218 28.610 28.738 0.149 0.000 0.901 1639 Q HN 0.259 nan 8.270 nan 0.000 0.429 1640 V N -0.129 119.900 119.914 0.191 0.000 2.346 1640 V HA -0.171 3.949 4.120 0.000 0.000 0.244 1640 V C 2.146 178.371 176.094 0.219 0.000 1.037 1640 V CA 1.484 63.910 62.300 0.210 0.000 1.029 1640 V CB -1.074 30.829 31.823 0.133 0.000 0.663 1640 V HN 0.455 nan 8.190 nan 0.000 0.454 1641 A N 1.303 124.233 122.820 0.183 0.000 1.948 1641 A HA -0.286 4.034 4.320 0.000 0.000 0.220 1641 A C 2.356 180.038 177.584 0.163 0.000 1.177 1641 A CA 2.260 54.411 52.037 0.189 0.000 0.636 1641 A CB -0.640 18.494 19.000 0.224 0.000 0.815 1641 A HN 0.671 nan 8.150 nan 0.000 0.449 1642 R N -1.958 118.609 120.500 0.112 0.000 2.193 1642 R HA -0.123 4.217 4.340 0.000 0.000 0.229 1642 R C 0.941 177.127 176.300 -0.190 0.000 1.110 1642 R CA 1.690 57.751 56.100 -0.065 0.000 0.988 1642 R CB -0.499 29.700 30.300 -0.168 0.000 0.871 1642 R HN 0.518 nan 8.270 nan 0.000 0.458 1643 Y N 1.146 121.525 120.300 0.133 0.000 2.461 1643 Y HA 0.288 4.838 4.550 0.000 0.000 0.277 1643 Y C -0.035 176.036 175.900 0.285 0.000 1.182 1643 Y CA -0.430 57.773 58.100 0.171 0.000 1.276 1643 Y CB 0.403 38.971 38.460 0.180 0.000 1.087 1643 Y HN -0.090 nan 8.280 nan 0.000 0.519 1644 R N -0.152 120.537 120.500 0.314 0.000 2.974 1644 R HA -0.149 4.191 4.340 0.000 0.000 0.258 1644 R C -3.037 173.527 176.300 0.439 0.000 0.892 1644 R CA 0.053 56.353 56.100 0.334 0.000 0.664 1644 R CB -2.026 28.456 30.300 0.303 0.000 1.478 1644 R HN 0.267 nan 8.270 nan 0.000 0.498 1645 P HA 0.117 nan 4.420 nan 0.000 0.274 1645 P C 0.699 178.146 177.300 0.244 0.000 1.237 1645 P CA -0.395 62.786 63.100 0.134 0.000 0.793 1645 P CB 0.713 32.418 31.700 0.007 0.000 0.977 1646 R N 1.465 122.044 120.500 0.131 0.000 2.092 1646 R HA 0.019 4.359 4.340 0.000 0.000 0.231 1646 R C 0.947 177.253 176.300 0.011 0.000 1.119 1646 R CA 1.003 57.045 56.100 -0.096 0.000 0.970 1646 R CB -0.451 29.658 30.300 -0.317 0.000 0.864 1646 R HN 0.644 nan 8.270 nan 0.000 0.440 1647 A N 1.282 124.096 122.820 -0.010 0.000 2.287 1647 A HA 0.418 4.738 4.320 0.000 0.000 0.273 1647 A C -2.325 175.234 177.584 -0.042 0.000 1.091 1647 A CA -1.533 50.474 52.037 -0.050 0.000 0.817 1647 A CB 0.120 19.091 19.000 -0.049 0.000 1.069 1647 A HN 0.116 nan 8.150 nan 0.000 0.492 1648 P HA 0.318 nan 4.420 nan 0.000 0.275 1648 P C -0.948 176.325 177.300 -0.045 0.000 1.227 1648 P CA 0.324 63.288 63.100 -0.227 0.000 0.781 1648 P CB 0.369 31.552 31.700 -0.862 0.000 0.906 1649 I N 3.794 124.448 120.570 0.140 0.000 2.307 1649 I HA 0.212 4.382 4.170 0.000 0.000 0.289 1649 I C 0.106 176.359 176.117 0.226 0.000 1.021 1649 I CA -0.625 60.771 61.300 0.160 0.000 1.224 1649 I CB 0.653 38.751 38.000 0.164 0.000 1.376 1649 I HN 0.061 nan 8.210 nan 0.000 0.470 1650 I N 6.357 127.025 120.570 0.165 0.000 2.269 1650 I HA 0.247 4.417 4.170 0.000 0.000 0.293 1650 I C 0.809 177.009 176.117 0.138 0.000 1.106 1650 I CA -0.588 60.827 61.300 0.192 0.000 1.248 1650 I CB 0.335 38.451 38.000 0.193 0.000 1.444 1650 I HN 0.540 nan 8.210 nan 0.000 0.497 1651 A N 7.429 130.329 122.820 0.133 0.000 2.415 1651 A HA 0.541 4.861 4.320 0.000 0.000 0.309 1651 A C 0.025 177.641 177.584 0.053 0.000 1.356 1651 A CA -0.387 51.691 52.037 0.069 0.000 0.998 1651 A CB 0.005 19.033 19.000 0.046 0.000 1.145 1651 A HN 0.390 nan 8.150 nan 0.000 0.545 1652 V N 2.643 122.580 119.914 0.038 0.000 2.465 1652 V HA 0.703 4.824 4.120 0.000 0.000 0.279 1652 V C 0.614 176.716 176.094 0.013 0.000 1.045 1652 V CA -0.008 62.309 62.300 0.028 0.000 0.938 1652 V CB 1.218 33.053 31.823 0.020 0.000 0.986 1652 V HN 0.932 nan 8.190 nan 0.000 0.467 1653 T N 3.881 118.447 114.554 0.021 0.000 2.853 1653 T HA 0.424 4.774 4.350 0.000 0.000 0.311 1653 T C 0.101 174.830 174.700 0.047 0.000 1.307 1653 T CA -0.641 61.476 62.100 0.029 0.000 1.019 1653 T CB 1.756 70.642 68.868 0.029 0.000 1.264 1653 T HN 0.635 nan 8.240 nan 0.000 0.497 1654 R N 1.471 122.012 120.500 0.068 0.000 2.468 1654 R HA 0.268 4.608 4.340 0.000 0.000 0.280 1654 R C 0.111 176.513 176.300 0.169 0.000 0.963 1654 R CA -0.258 55.905 56.100 0.106 0.000 1.083 1654 R CB 0.230 30.581 30.300 0.085 0.000 1.200 1654 R HN 0.327 nan 8.270 nan 0.000 0.541 1655 N N 0.781 119.572 118.700 0.152 0.000 2.501 1655 N HA 0.059 4.799 4.740 0.000 0.000 0.245 1655 N C 0.566 176.216 175.510 0.234 0.000 0.974 1655 N CA -0.043 53.113 53.050 0.178 0.000 0.941 1655 N CB 0.541 39.090 38.487 0.105 0.000 1.122 1655 N HN 0.235 nan 8.380 nan 0.000 0.507 1656 H N 1.769 120.876 119.070 0.062 0.000 2.319 1656 H HA -0.196 4.360 4.556 0.000 0.000 0.297 1656 H C 1.114 176.490 175.328 0.080 0.000 1.097 1656 H CA 1.515 57.614 56.048 0.084 0.000 1.285 1656 H CB 0.441 30.255 29.762 0.086 0.000 1.368 1656 H HN 0.618 nan 8.280 nan 0.000 0.495 1657 Q N 0.384 120.312 119.800 0.212 0.000 2.135 1657 Q HA -0.130 4.210 4.340 0.000 0.000 0.204 1657 Q C 2.186 178.259 176.000 0.122 0.000 0.981 1657 Q CA 1.927 57.815 55.803 0.141 0.000 0.856 1657 Q CB 0.153 28.952 28.738 0.101 0.000 0.902 1657 Q HN 0.326 nan 8.270 nan 0.000 0.425 1658 T N 0.064 114.687 114.554 0.114 0.000 2.708 1658 T HA -0.169 4.181 4.350 0.000 0.000 0.266 1658 T C 1.709 176.449 174.700 0.067 0.000 1.037 1658 T CA 1.274 63.429 62.100 0.092 0.000 1.146 1658 T CB -0.411 68.497 68.868 0.068 0.000 0.865 1658 T HN 0.472 nan 8.240 nan 0.000 0.435 1659 A N 1.463 124.314 122.820 0.053 0.000 1.972 1659 A HA -0.090 4.231 4.320 0.000 0.000 0.219 1659 A C 2.370 179.931 177.584 -0.037 0.000 1.169 1659 A CA 1.314 53.348 52.037 -0.004 0.000 0.635 1659 A CB -0.405 18.595 19.000 -0.000 0.000 0.810 1659 A HN 0.418 nan 8.150 nan 0.000 0.446 1660 R N -0.641 119.898 120.500 0.064 0.000 2.062 1660 R HA -0.073 4.267 4.340 0.000 0.000 0.229 1660 R C 2.329 178.722 176.300 0.155 0.000 1.128 1660 R CA 1.484 57.669 56.100 0.142 0.000 0.960 1660 R CB -0.318 30.072 30.300 0.151 0.000 0.855 1660 R HN 0.650 nan 8.270 nan 0.000 0.432 1661 Q N 0.163 120.038 119.800 0.126 0.000 2.364 1661 Q HA -0.034 4.306 4.340 0.000 0.000 0.207 1661 Q C 2.018 178.145 176.000 0.211 0.000 0.970 1661 Q CA 1.005 56.909 55.803 0.168 0.000 0.888 1661 Q CB -0.006 28.840 28.738 0.181 0.000 0.951 1661 Q HN 0.338 nan 8.270 nan 0.000 0.469 1662 A N 0.694 123.567 122.820 0.087 0.000 1.978 1662 A HA -0.230 4.090 4.320 0.000 0.000 0.220 1662 A C 1.366 178.979 177.584 0.048 0.000 1.170 1662 A CA 1.518 53.601 52.037 0.076 0.000 0.636 1662 A CB -0.745 18.199 19.000 -0.093 0.000 0.810 1662 A HN 0.439 nan 8.150 nan 0.000 0.448 1663 H N -1.216 117.921 119.070 0.112 0.000 2.460 1663 H HA -0.126 4.431 4.556 0.000 0.000 0.297 1663 H C 1.771 177.113 175.328 0.023 0.000 1.103 1663 H CA 1.035 57.101 56.048 0.029 0.000 1.292 1663 H CB -0.052 29.709 29.762 -0.002 0.000 1.376 1663 H HN 0.328 nan 8.280 nan 0.000 0.531 1664 L N 0.111 121.411 121.223 0.127 0.000 2.079 1664 L HA -0.183 4.157 4.340 0.000 0.000 0.210 1664 L C 0.033 176.735 176.870 -0.280 0.000 1.081 1664 L CA 1.453 56.218 54.840 -0.126 0.000 0.752 1664 L CB -0.720 41.150 42.059 -0.315 0.000 0.896 1664 L HN 0.238 nan 8.230 nan 0.000 0.433 1665 Y N -0.725 119.547 120.300 -0.048 0.000 2.313 1665 Y HA 0.421 4.971 4.550 0.000 0.000 0.332 1665 Y C 0.881 176.783 175.900 0.004 0.000 1.071 1665 Y CA -1.169 56.907 58.100 -0.041 0.000 1.169 1665 Y CB 0.257 38.684 38.460 -0.054 0.000 1.192 1665 Y HN -0.087 nan 8.280 nan 0.000 0.487 1666 R N 1.394 121.974 120.500 0.134 0.000 2.484 1666 R HA 0.326 4.666 4.340 0.000 0.000 0.293 1666 R C 1.150 177.547 176.300 0.161 0.000 1.023 1666 R CA 1.374 57.544 56.100 0.116 0.000 1.037 1666 R CB -0.400 29.959 30.300 0.098 0.000 0.951 1666 R HN 0.995 nan 8.270 nan 0.000 0.418 1667 G N 3.777 112.670 108.800 0.155 0.000 2.199 1667 G HA2 -0.296 3.664 3.960 0.000 0.000 0.254 1667 G HA3 -0.296 3.664 3.960 0.000 0.000 0.254 1667 G C 0.169 175.256 174.900 0.311 0.000 0.982 1667 G CA 0.175 45.428 45.100 0.255 0.000 0.632 1667 G HN 0.561 nan 8.290 nan 0.000 0.529 1668 I N 1.041 121.718 120.570 0.178 0.000 2.416 1668 I HA 0.452 4.622 4.170 0.000 0.000 0.288 1668 I C -0.189 175.960 176.117 0.054 0.000 1.051 1668 I CA -0.532 60.877 61.300 0.180 0.000 1.375 1668 I CB 0.523 38.598 38.000 0.125 0.000 1.407 1668 I HN -0.053 nan 8.210 nan 0.000 0.516 1669 F N 8.019 128.008 119.950 0.065 0.000 2.347 1669 F HA 0.398 4.925 4.527 0.000 0.000 0.366 1669 F C -2.128 173.701 175.800 0.049 0.000 1.107 1669 F CA -2.896 55.158 58.000 0.091 0.000 1.058 1669 F CB 0.816 39.920 39.000 0.174 0.000 1.236 1669 F HN 0.229 nan 8.300 nan 0.000 0.456 1670 P HA 0.275 nan 4.420 nan 0.000 0.286 1670 P C -0.814 176.528 177.300 0.071 0.000 1.269 1670 P CA -0.227 62.883 63.100 0.017 0.000 0.787 1670 P CB 1.902 33.526 31.700 -0.127 0.000 0.920 1671 V N 4.548 124.506 119.914 0.073 0.000 2.483 1671 V HA 0.213 4.333 4.120 0.000 0.000 0.297 1671 V C 0.123 176.248 176.094 0.050 0.000 1.027 1671 V CA -0.821 61.526 62.300 0.078 0.000 0.855 1671 V CB 2.366 34.244 31.823 0.091 0.000 0.995 1671 V HN 0.228 nan 8.190 nan 0.000 0.424 1672 V N 4.307 124.251 119.914 0.051 0.000 2.385 1672 V HA 0.216 4.336 4.120 0.000 0.000 0.269 1672 V C 0.356 176.459 176.094 0.015 0.000 1.043 1672 V CA -0.367 61.931 62.300 -0.002 0.000 0.906 1672 V CB 1.328 33.076 31.823 -0.124 0.000 0.995 1672 V HN 1.048 nan 8.190 nan 0.000 0.467 1673 C N 6.273 125.587 119.300 0.023 0.000 2.394 1673 C HA 0.391 4.851 4.460 0.000 0.000 0.362 1673 C C 1.331 176.346 174.990 0.042 0.000 1.268 1673 C CA -0.434 58.599 59.018 0.026 0.000 1.828 1673 C CB -0.422 27.328 27.740 0.018 0.000 2.442 1673 C HN 1.027 nan 8.230 nan 0.000 0.549 1674 K N 2.120 122.539 120.400 0.032 0.000 2.374 1674 K HA 0.150 4.470 4.320 0.000 0.000 0.196 1674 K C -0.078 176.541 176.600 0.032 0.000 1.023 1674 K CA 0.161 56.474 56.287 0.043 0.000 1.103 1674 K CB 0.180 32.690 32.500 0.017 0.000 0.848 1674 K HN 0.795 nan 8.250 nan 0.000 0.528 1675 D N 1.727 122.140 120.400 0.022 0.000 2.264 1675 D HA 0.132 4.772 4.640 0.000 0.000 0.249 1675 D C -2.338 173.973 176.300 0.018 0.000 1.070 1675 D CA -1.943 52.066 54.000 0.015 0.000 0.912 1675 D CB 0.254 41.057 40.800 0.005 0.000 1.193 1675 D HN -0.116 nan 8.370 nan 0.000 0.427 1676 P HA -0.051 nan 4.420 nan 0.000 0.270 1676 P C -0.313 176.999 177.300 0.020 0.000 1.221 1676 P CA -0.344 62.767 63.100 0.018 0.000 0.788 1676 P CB 0.334 32.042 31.700 0.013 0.000 0.904 1677 V N 1.993 121.924 119.914 0.029 0.000 2.614 1677 V HA 0.045 4.165 4.120 0.000 0.000 0.291 1677 V C 0.829 176.943 176.094 0.035 0.000 1.049 1677 V CA -0.082 62.242 62.300 0.039 0.000 1.038 1677 V CB 0.416 32.274 31.823 0.058 0.000 0.980 1677 V HN 0.454 nan 8.190 nan 0.000 0.481 1678 Q N 2.521 122.342 119.800 0.036 0.000 2.327 1678 Q HA 0.120 4.461 4.340 0.000 0.000 0.254 1678 Q C 1.214 177.246 176.000 0.052 0.000 0.952 1678 Q CA 0.041 55.863 55.803 0.030 0.000 0.884 1678 Q CB 1.125 29.870 28.738 0.011 0.000 1.224 1678 Q HN 0.930 nan 8.270 nan 0.000 0.422 1679 E N 1.020 121.242 120.200 0.037 0.000 2.072 1679 E HA -0.005 4.345 4.350 0.000 0.000 0.191 1679 E C -0.168 176.466 176.600 0.056 0.000 0.985 1679 E CA 1.136 57.559 56.400 0.039 0.000 0.801 1679 E CB 0.041 29.753 29.700 0.021 0.000 0.750 1679 E HN 0.415 nan 8.360 nan 0.000 0.452 1680 A N 1.547 124.398 122.820 0.051 0.000 2.316 1680 A HA 0.113 4.433 4.320 0.000 0.000 0.311 1680 A C 0.350 177.998 177.584 0.107 0.000 1.339 1680 A CA -0.611 51.465 52.037 0.065 0.000 0.960 1680 A CB -0.652 18.363 19.000 0.026 0.000 1.152 1680 A HN 0.591 nan 8.150 nan 0.000 0.547 1681 W N 3.041 124.290 121.300 -0.083 0.000 2.269 1681 W HA -0.441 4.219 4.660 0.000 0.000 0.336 1681 W C 1.828 178.277 176.519 -0.116 0.000 1.333 1681 W CA 2.676 59.958 57.345 -0.104 0.000 1.299 1681 W CB -0.209 29.166 29.460 -0.141 0.000 1.126 1681 W HN 0.770 nan 8.180 nan 0.000 0.474 1682 A N 0.573 123.376 122.820 -0.027 0.000 1.884 1682 A HA -0.313 4.007 4.320 0.000 0.000 0.219 1682 A C 1.733 179.212 177.584 -0.175 0.000 1.197 1682 A CA 2.486 54.420 52.037 -0.171 0.000 0.637 1682 A CB -1.237 17.699 19.000 -0.107 0.000 0.827 1682 A HN 0.607 nan 8.150 nan 0.000 0.450 1683 E N -0.804 119.338 120.200 -0.098 0.000 2.077 1683 E HA -0.224 4.126 4.350 0.000 0.000 0.193 1683 E C 1.793 178.323 176.600 -0.118 0.000 0.989 1683 E CA 1.163 57.510 56.400 -0.088 0.000 0.800 1683 E CB -0.296 29.377 29.700 -0.046 0.000 0.746 1683 E HN 0.690 nan 8.360 nan 0.000 0.452 1684 D N 0.505 120.830 120.400 -0.124 0.000 2.149 1684 D HA -0.135 4.506 4.640 0.000 0.000 0.198 1684 D C 1.877 178.016 176.300 -0.268 0.000 0.990 1684 D CA 0.666 54.576 54.000 -0.150 0.000 0.839 1684 D CB 0.159 40.906 40.800 -0.088 0.000 0.948 1684 D HN -0.040 nan 8.370 nan 0.000 0.460 1685 V N -0.097 119.566 119.914 -0.419 0.000 2.346 1685 V HA -0.155 3.965 4.120 0.000 0.000 0.244 1685 V C 1.914 177.840 176.094 -0.279 0.000 1.037 1685 V CA 1.853 63.863 62.300 -0.484 0.000 1.029 1685 V CB -0.467 30.941 31.823 -0.693 0.000 0.663 1685 V HN 0.162 nan 8.190 nan 0.000 0.454 1686 D N -0.146 120.119 120.400 -0.225 0.000 2.116 1686 D HA -0.219 4.421 4.640 0.000 0.000 0.193 1686 D C 2.029 178.263 176.300 -0.111 0.000 0.998 1686 D CA 1.778 55.690 54.000 -0.147 0.000 0.836 1686 D CB -0.161 40.569 40.800 -0.117 0.000 0.951 1686 D HN 0.356 nan 8.370 nan 0.000 0.449 1687 L N 0.796 121.955 121.223 -0.106 0.000 1.990 1687 L HA -0.195 4.145 4.340 0.000 0.000 0.213 1687 L C 2.000 178.833 176.870 -0.063 0.000 1.072 1687 L CA 1.807 56.604 54.840 -0.072 0.000 0.755 1687 L CB -0.484 41.537 42.059 -0.064 0.000 0.889 1687 L HN -0.079 nan 8.230 nan 0.000 0.432 1688 R N -0.493 119.955 120.500 -0.087 0.000 2.105 1688 R HA -0.125 4.215 4.340 0.000 0.000 0.239 1688 R C 2.144 178.415 176.300 -0.049 0.000 1.135 1688 R CA 1.608 57.667 56.100 -0.068 0.000 0.967 1688 R CB -0.786 29.458 30.300 -0.094 0.000 0.861 1688 R HN 0.410 nan 8.270 nan 0.000 0.442 1689 V N 1.826 121.696 119.914 -0.072 0.000 2.515 1689 V HA -0.222 3.898 4.120 0.000 0.000 0.250 1689 V C 1.722 177.803 176.094 -0.022 0.000 1.058 1689 V CA 1.588 63.857 62.300 -0.052 0.000 1.064 1689 V CB -0.520 31.256 31.823 -0.078 0.000 0.675 1689 V HN 0.354 nan 8.190 nan 0.000 0.461 1690 N N 0.216 118.899 118.700 -0.028 0.000 2.142 1690 N HA -0.118 4.622 4.740 0.000 0.000 0.186 1690 N C 1.769 177.290 175.510 0.017 0.000 1.023 1690 N CA 1.274 54.319 53.050 -0.009 0.000 0.852 1690 N CB -0.441 38.034 38.487 -0.020 0.000 0.998 1690 N HN 0.397 nan 8.380 nan 0.000 0.424 1691 L N 1.484 122.714 121.223 0.012 0.000 1.990 1691 L HA -0.190 4.151 4.340 0.000 0.000 0.213 1691 L C 2.189 179.094 176.870 0.058 0.000 1.072 1691 L CA 2.022 56.879 54.840 0.028 0.000 0.755 1691 L CB -0.983 41.088 42.059 0.019 0.000 0.889 1691 L HN 0.156 nan 8.230 nan 0.000 0.432 1692 A N -1.033 121.830 122.820 0.072 0.000 1.892 1692 A HA -0.316 4.005 4.320 0.000 0.000 0.218 1692 A C 2.332 180.044 177.584 0.213 0.000 1.188 1692 A CA 2.507 54.622 52.037 0.130 0.000 0.631 1692 A CB -0.767 18.309 19.000 0.127 0.000 0.822 1692 A HN 0.551 nan 8.150 nan 0.000 0.447 1693 M N 0.354 120.068 119.600 0.190 0.000 2.089 1693 M HA -0.215 4.265 4.480 0.000 0.000 0.257 1693 M C 1.765 178.223 176.300 0.264 0.000 1.071 1693 M CA 1.990 57.450 55.300 0.267 0.000 1.096 1693 M CB -0.542 32.115 32.600 0.095 0.000 1.330 1693 M HN 0.516 nan 8.290 nan 0.000 0.403 1694 N N -0.664 118.111 118.700 0.125 0.000 2.142 1694 N HA -0.110 4.630 4.740 0.000 0.000 0.186 1694 N C 1.776 177.298 175.510 0.020 0.000 1.023 1694 N CA 1.621 54.711 53.050 0.067 0.000 0.852 1694 N CB -0.700 37.809 38.487 0.037 0.000 0.998 1694 N HN 0.258 nan 8.380 nan 0.000 0.424 1695 V N 1.267 121.192 119.914 0.018 0.000 2.343 1695 V HA -0.134 3.987 4.120 0.000 0.000 0.247 1695 V C 2.505 178.472 176.094 -0.210 0.000 1.051 1695 V CA 2.043 64.308 62.300 -0.057 0.000 1.036 1695 V CB -1.230 30.591 31.823 -0.003 0.000 0.654 1695 V HN 0.356 nan 8.190 nan 0.000 0.451 1696 G N -0.545 108.141 108.800 -0.190 0.000 2.422 1696 G HA2 -0.250 3.711 3.960 0.000 0.000 0.218 1696 G HA3 -0.250 3.711 3.960 0.000 0.000 0.218 1696 G C 1.685 176.078 174.900 -0.845 0.000 1.146 1696 G CA 0.879 45.564 45.100 -0.692 0.000 0.769 1696 G HN 0.465 nan 8.290 nan 0.000 0.547 1697 K N 0.387 120.588 120.400 -0.332 0.000 2.001 1697 K HA 0.104 4.424 4.320 0.000 0.000 0.208 1697 K C 2.937 179.415 176.600 -0.204 0.000 1.048 1697 K CA 1.010 57.210 56.287 -0.144 0.000 0.932 1697 K CB -0.229 32.308 32.500 0.062 0.000 0.715 1697 K HN 0.237 nan 8.250 nan 0.000 0.437 1698 A N 1.115 123.822 122.820 -0.188 0.000 2.019 1698 A HA -0.108 4.212 4.320 0.000 0.000 0.219 1698 A C 1.867 179.289 177.584 -0.270 0.000 1.164 1698 A CA 1.228 53.161 52.037 -0.172 0.000 0.644 1698 A CB -0.160 18.775 19.000 -0.109 0.000 0.805 1698 A HN 0.077 nan 8.150 nan 0.000 0.449 1699 R N -1.321 118.893 120.500 -0.478 0.000 2.276 1699 R HA 0.123 4.463 4.340 0.000 0.000 0.196 1699 R C 1.166 177.062 176.300 -0.674 0.000 0.961 1699 R CA 0.571 56.257 56.100 -0.691 0.000 1.024 1699 R CB -0.780 28.761 30.300 -1.265 0.000 0.940 1699 R HN 0.852 nan 8.270 nan 0.000 0.480 1700 G N 1.017 109.507 108.800 -0.517 0.000 2.212 1700 G HA2 -0.234 3.726 3.960 0.000 0.000 0.255 1700 G HA3 -0.234 3.726 3.960 0.000 0.000 0.255 1700 G C 0.369 175.195 174.900 -0.122 0.000 1.062 1700 G CA -0.044 44.904 45.100 -0.254 0.000 0.815 1700 G HN 0.204 nan 8.290 nan 0.000 0.497 1701 F N -0.448 119.231 119.950 -0.452 0.000 2.270 1701 F HA 0.377 4.904 4.527 0.000 0.000 0.295 1701 F C 1.424 177.019 175.800 -0.341 0.000 1.087 1701 F CA 0.529 58.218 58.000 -0.518 0.000 1.365 1701 F CB -0.360 38.143 39.000 -0.827 0.000 1.056 1701 F HN 0.392 nan 8.300 nan 0.000 0.506 1702 F N -1.261 118.778 119.950 0.148 0.000 2.745 1702 F HA 0.559 5.086 4.527 0.000 0.000 0.316 1702 F C -0.497 175.324 175.800 0.035 0.000 1.155 1702 F CA -2.251 55.791 58.000 0.070 0.000 0.937 1702 F CB 0.901 39.932 39.000 0.052 0.000 1.361 1702 F HN -0.230 nan 8.300 nan 0.000 0.472 1703 K N 0.148 120.740 120.400 0.320 0.000 2.149 1703 K HA 0.570 4.890 4.320 0.000 0.000 0.241 1703 K C -1.271 175.414 176.600 0.142 0.000 1.083 1703 K CA -1.213 55.186 56.287 0.188 0.000 0.885 1703 K CB 1.547 34.109 32.500 0.103 0.000 1.374 1703 K HN 0.667 nan 8.250 nan 0.000 0.511 1704 K N -0.527 119.921 120.400 0.079 0.000 2.382 1704 K HA 0.174 4.494 4.320 0.000 0.000 0.275 1704 K C 0.491 177.102 176.600 0.017 0.000 1.009 1704 K CA 1.470 57.779 56.287 0.036 0.000 0.970 1704 K CB 0.237 32.751 32.500 0.024 0.000 0.934 1704 K HN 0.840 nan 8.250 nan 0.000 0.479 1705 G N 2.402 111.196 108.800 -0.011 0.000 2.159 1705 G HA2 -0.217 3.743 3.960 0.000 0.000 0.256 1705 G HA3 -0.217 3.743 3.960 0.000 0.000 0.256 1705 G C -0.428 174.458 174.900 -0.023 0.000 0.977 1705 G CA 0.282 45.372 45.100 -0.018 0.000 0.652 1705 G HN 0.682 nan 8.290 nan 0.000 0.531 1706 D N -0.505 119.876 120.400 -0.031 0.000 2.348 1706 D HA 0.582 5.222 4.640 0.000 0.000 0.249 1706 D C 0.609 176.845 176.300 -0.106 0.000 1.110 1706 D CA -0.228 53.750 54.000 -0.037 0.000 0.967 1706 D CB 1.701 42.516 40.800 0.025 0.000 1.139 1706 D HN 0.151 nan 8.370 nan 0.000 0.466 1707 V N 1.084 120.944 119.914 -0.090 0.000 2.630 1707 V HA 0.566 4.686 4.120 0.000 0.000 0.305 1707 V C 0.126 176.132 176.094 -0.146 0.000 1.046 1707 V CA -0.593 61.642 62.300 -0.110 0.000 0.934 1707 V CB 1.926 33.710 31.823 -0.065 0.000 1.003 1707 V HN 0.235 nan 8.190 nan 0.000 0.451 1708 V N 4.299 124.114 119.914 -0.165 0.000 3.007 1708 V HA 0.536 4.656 4.120 0.000 0.000 0.311 1708 V C -0.935 175.096 176.094 -0.105 0.000 1.120 1708 V CA -0.629 61.571 62.300 -0.165 0.000 0.980 1708 V CB 2.492 34.141 31.823 -0.290 0.000 1.033 1708 V HN 0.618 nan 8.190 nan 0.000 0.429 1709 I N 3.551 124.075 120.570 -0.076 0.000 2.359 1709 I HA 0.501 4.671 4.170 0.000 0.000 0.294 1709 I C -0.369 175.723 176.117 -0.041 0.000 0.987 1709 I CA -0.588 60.679 61.300 -0.054 0.000 1.225 1709 I CB 1.509 39.479 38.000 -0.050 0.000 1.366 1709 I HN 0.188 nan 8.210 nan 0.000 0.466 1710 V N 7.437 127.330 119.914 -0.035 0.000 2.409 1710 V HA 0.434 4.554 4.120 0.000 0.000 0.291 1710 V C -0.048 176.041 176.094 -0.010 0.000 1.020 1710 V CA -0.539 61.744 62.300 -0.028 0.000 0.848 1710 V CB 2.179 33.977 31.823 -0.042 0.000 0.990 1710 V HN 0.469 nan 8.190 nan 0.000 0.430 1711 L N 5.921 127.142 121.223 -0.003 0.000 2.294 1711 L HA 0.750 5.090 4.340 0.000 0.000 0.283 1711 L C 0.258 177.128 176.870 -0.001 0.000 1.015 1711 L CA 0.092 54.939 54.840 0.012 0.000 0.831 1711 L CB 1.809 43.884 42.059 0.027 0.000 1.217 1711 L HN 0.922 nan 8.230 nan 0.000 0.420 1712 T N -0.405 114.151 114.554 0.004 0.000 2.812 1712 T HA 0.719 5.069 4.350 0.000 0.000 0.294 1712 T C -0.200 174.515 174.700 0.024 0.000 1.159 1712 T CA -0.741 61.350 62.100 -0.014 0.000 1.008 1712 T CB 1.804 70.632 68.868 -0.067 0.000 1.289 1712 T HN 0.459 nan 8.240 nan 0.000 0.514 1713 G N -0.755 108.087 108.800 0.071 0.000 2.371 1713 G HA2 0.440 4.400 3.960 0.000 0.000 0.326 1713 G HA3 0.440 4.400 3.960 0.000 0.000 0.326 1713 G C 0.219 175.315 174.900 0.328 0.000 1.127 1713 G CA -0.905 44.280 45.100 0.142 0.000 0.885 1713 G HN 0.791 nan 8.290 nan 0.000 0.477 1714 W N 2.536 123.883 121.300 0.077 0.000 2.378 1714 W HA 0.057 4.717 4.660 0.000 0.000 0.313 1714 W C 0.644 177.324 176.519 0.267 0.000 1.197 1714 W CA 0.663 58.090 57.345 0.136 0.000 1.304 1714 W CB 0.350 29.817 29.460 0.013 0.000 1.148 1714 W HN 0.389 nan 8.180 nan 0.000 0.494 1715 R N -0.628 119.961 120.500 0.150 0.000 2.873 1715 R HA 0.327 4.668 4.340 0.000 0.000 0.264 1715 R C -2.406 173.473 176.300 -0.702 0.000 1.026 1715 R CA -2.005 53.891 56.100 -0.340 0.000 1.002 1715 R CB 0.730 30.874 30.300 -0.260 0.000 1.174 1715 R HN -0.285 nan 8.270 nan 0.000 0.488 1716 P HA 0.048 nan 4.420 nan 0.000 0.271 1716 P C 0.019 176.962 177.300 -0.594 0.000 1.218 1716 P CA 0.262 62.352 63.100 -1.684 0.000 0.780 1716 P CB 0.550 31.286 31.700 -1.606 0.000 0.901 1717 G N 1.924 110.553 108.800 -0.285 0.000 2.314 1717 G HA2 -0.275 3.685 3.960 0.000 0.000 0.292 1717 G HA3 -0.275 3.685 3.960 0.000 0.000 0.292 1717 G C 0.899 175.761 174.900 -0.063 0.000 1.059 1717 G CA 0.300 45.335 45.100 -0.109 0.000 0.982 1717 G HN 0.476 nan 8.290 nan 0.000 0.505 1718 S N -0.752 114.926 115.700 -0.037 0.000 2.603 1718 S HA 0.345 4.815 4.470 0.000 0.000 0.220 1718 S C 2.376 176.992 174.600 0.026 0.000 0.967 1718 S CA 1.332 59.503 58.200 -0.048 0.000 0.920 1718 S CB -0.252 62.883 63.200 -0.109 0.000 0.773 1718 S HN 2.223 nan 8.310 nan 0.000 0.529 1719 G N 1.327 110.189 108.800 0.102 0.000 2.270 1719 G HA2 -0.316 3.645 3.960 0.000 0.000 0.268 1719 G HA3 -0.316 3.645 3.960 0.000 0.000 0.268 1719 G C 0.125 175.246 174.900 0.368 0.000 0.982 1719 G CA 1.139 46.368 45.100 0.216 0.000 0.628 1719 G HN 0.915 nan 8.290 nan 0.000 0.544 1720 F N -2.754 117.230 119.950 0.057 0.000 2.944 1720 F HA 0.572 5.099 4.527 0.000 0.000 0.324 1720 F C -0.319 175.529 175.800 0.080 0.000 1.151 1720 F CA -0.631 57.400 58.000 0.052 0.000 0.883 1720 F CB 0.366 39.387 39.000 0.036 0.000 1.341 1720 F HN 0.609 nan 8.300 nan 0.000 0.456 1721 T N 0.778 115.362 114.554 0.049 0.000 2.739 1721 T HA 0.330 4.680 4.350 0.000 0.000 0.298 1721 T C -0.015 174.621 174.700 -0.106 0.000 0.929 1721 T CA -0.147 61.922 62.100 -0.052 0.000 1.014 1721 T CB 0.231 69.133 68.868 0.057 0.000 0.914 1721 T HN 0.802 nan 8.240 nan 0.000 0.509 1722 N N 1.675 120.147 118.700 -0.381 0.000 2.205 1722 N HA 0.093 4.833 4.740 0.000 0.000 0.201 1722 N C -0.389 175.115 175.510 -0.009 0.000 1.128 1722 N CA -0.474 52.433 53.050 -0.237 0.000 0.867 1722 N CB 0.351 38.526 38.487 -0.519 0.000 0.996 1722 N HN 0.573 nan 8.380 nan 0.000 0.503 1723 T N 1.008 115.583 114.554 0.036 0.000 2.786 1723 T HA 0.405 4.756 4.350 0.000 0.000 0.283 1723 T C -0.600 174.141 174.700 0.069 0.000 0.992 1723 T CA -0.616 61.544 62.100 0.100 0.000 0.954 1723 T CB 1.917 70.937 68.868 0.252 0.000 0.934 1723 T HN 0.013 nan 8.240 nan 0.000 0.440 1724 M N 3.431 123.063 119.600 0.054 0.000 2.321 1724 M HA 0.556 5.036 4.480 0.000 0.000 0.315 1724 M C -1.316 174.997 176.300 0.023 0.000 1.052 1724 M CA -0.557 54.762 55.300 0.031 0.000 0.936 1724 M CB 1.942 34.555 32.600 0.021 0.000 1.639 1724 M HN 0.632 nan 8.290 nan 0.000 0.433 1725 R N 2.280 122.785 120.500 0.007 0.000 2.651 1725 R HA 0.589 4.929 4.340 0.000 0.000 0.278 1725 R C -1.737 174.549 176.300 -0.024 0.000 1.010 1725 R CA -0.664 55.435 56.100 -0.002 0.000 0.896 1725 R CB 2.860 33.160 30.300 0.001 0.000 1.211 1725 R HN 0.571 nan 8.270 nan 0.000 0.456 1726 V N 5.078 124.976 119.914 -0.027 0.000 2.364 1726 V HA 0.484 4.604 4.120 0.000 0.000 0.272 1726 V C -0.751 175.314 176.094 -0.049 0.000 1.036 1726 V CA -0.153 62.123 62.300 -0.041 0.000 0.880 1726 V CB 1.395 33.196 31.823 -0.036 0.000 0.991 1726 V HN 0.445 nan 8.190 nan 0.000 0.460 1727 V N 8.478 128.349 119.914 -0.072 0.000 2.962 1727 V HA 0.639 4.759 4.120 0.000 0.000 0.313 1727 V C -2.545 173.483 176.094 -0.111 0.000 1.099 1727 V CA -1.842 60.407 62.300 -0.084 0.000 0.971 1727 V CB 2.506 34.274 31.823 -0.092 0.000 1.028 1727 V HN 0.769 nan 8.190 nan 0.000 0.430 1728 P HA 0.411 nan 4.420 nan 0.000 0.292 1728 P C -0.770 176.445 177.300 -0.142 0.000 1.283 1728 P CA -0.516 62.520 63.100 -0.107 0.000 0.835 1728 P CB 1.452 33.112 31.700 -0.067 0.000 1.017 1729 V N 5.186 124.993 119.914 -0.178 0.000 2.686 1729 V HA 0.222 4.342 4.120 0.000 0.000 0.295 1729 V C -1.724 174.322 176.094 -0.080 0.000 1.055 1729 V CA -0.831 61.354 62.300 -0.193 0.000 1.050 1729 V CB 0.376 32.039 31.823 -0.267 0.000 0.984 1729 V HN 0.630 nan 8.190 nan 0.000 0.482 1730 P HA 0.000 nan 4.420 nan 0.000 0.216 1730 P CA 0.000 63.086 63.100 -0.023 0.000 0.800 1730 P CB 0.000 31.684 31.700 -0.026 0.000 0.726