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 2nv5_1_C DATA FIRST_RESID 1204 DATA SEQUENCE SHPPIPILEL ADHIERLKAN DNLKFSQEYE SIDPGQQFTW EHSNLEVNKP DATA SEQUENCE KNRYANVIAY DHSRVLLSAI EGIPGSDYVN ANYIDGYRKQ NAYIATQGSL DATA SEQUENCE PETFGDFWRM IWEQRSATVV MMTKLEERSR VKCDQYWPSR GTETHGLVQV DATA SEQUENCE TLLDTVELAT YCVRTFALYK NGSSEKREVR QFQFTAWPDH GVPEHPTPFL DATA SEQUENCE AFLRRVKTCN PPDAGPMVVH CSAGVGRTGC FIVIDAMLER IKHEKTVDIY DATA SEQUENCE GHVTLMRAQR NYMVQTEDQY IFIHDALLEA VTC 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 1204 S HA 0.000 nan 4.470 nan 0.000 0.327 1204 S C 0.000 174.475 174.600 -0.208 0.000 1.055 1204 S CA 0.000 58.161 58.200 -0.065 0.000 1.107 1204 S CB 0.000 63.178 63.200 -0.036 0.000 0.593 1205 H N 2.971 122.017 119.070 -0.040 0.000 2.317 1205 H HA 0.469 5.025 4.556 0.000 0.000 0.231 1205 H C -2.515 172.821 175.328 0.013 0.000 1.442 1205 H CA -1.144 54.855 56.048 -0.081 0.000 1.336 1205 H CB 0.856 30.459 29.762 -0.265 0.000 1.533 1205 H HN 0.352 nan 8.280 nan 0.000 0.522 1206 P HA 0.145 nan 4.420 nan 0.000 0.272 1206 P C -2.492 174.826 177.300 0.031 0.000 1.240 1206 P CA -1.415 61.710 63.100 0.042 0.000 0.791 1206 P CB 0.767 32.465 31.700 -0.003 0.000 0.978 1207 P HA 0.198 nan 4.420 nan 0.000 0.271 1207 P C -0.425 176.843 177.300 -0.053 0.000 1.233 1207 P CA 0.172 63.279 63.100 0.012 0.000 0.789 1207 P CB 0.293 32.011 31.700 0.029 0.000 0.951 1208 I N 1.859 122.381 120.570 -0.081 0.000 2.382 1208 I HA 0.281 4.452 4.170 0.000 0.000 0.286 1208 I C -2.412 173.659 176.117 -0.077 0.000 1.002 1208 I CA -2.841 58.382 61.300 -0.128 0.000 1.135 1208 I CB 1.349 39.209 38.000 -0.233 0.000 1.288 1208 I HN 0.083 nan 8.210 nan 0.000 0.448 1209 P HA 0.141 nan 4.420 nan 0.000 0.268 1209 P C 1.411 178.686 177.300 -0.042 0.000 1.205 1209 P CA -0.173 62.900 63.100 -0.045 0.000 0.771 1209 P CB 0.684 32.361 31.700 -0.037 0.000 0.858 1210 I N 0.402 120.948 120.570 -0.041 0.000 2.423 1210 I HA -0.213 3.957 4.170 0.000 0.000 0.254 1210 I C 1.401 177.505 176.117 -0.022 0.000 1.151 1210 I CA 1.574 62.853 61.300 -0.035 0.000 1.421 1210 I CB -0.714 37.260 38.000 -0.043 0.000 1.079 1210 I HN 0.233 nan 8.210 nan 0.000 0.431 1211 L N 0.757 121.967 121.223 -0.021 0.000 2.291 1211 L HA -0.039 4.301 4.340 0.000 0.000 0.214 1211 L C 2.306 179.173 176.870 -0.006 0.000 1.120 1211 L CA 1.099 55.931 54.840 -0.014 0.000 0.799 1211 L CB -0.383 41.667 42.059 -0.016 0.000 0.925 1211 L HN 0.314 nan 8.230 nan 0.000 0.446 1212 E N -0.442 119.754 120.200 -0.007 0.000 2.474 1212 E HA -0.109 4.241 4.350 0.000 0.000 0.194 1212 E C 1.869 178.491 176.600 0.036 0.000 1.041 1212 E CA -0.010 56.393 56.400 0.005 0.000 0.874 1212 E CB 0.232 29.925 29.700 -0.012 0.000 0.914 1212 E HN 0.225 nan 8.360 nan 0.000 0.498 1213 L N 1.678 122.920 121.223 0.031 0.000 2.013 1213 L HA -0.218 4.122 4.340 0.000 0.000 0.212 1213 L C 2.276 179.207 176.870 0.101 0.000 1.073 1213 L CA 2.218 57.104 54.840 0.077 0.000 0.753 1213 L CB -0.737 41.348 42.059 0.043 0.000 0.890 1213 L HN 0.062 nan 8.230 nan 0.000 0.432 1214 A N -0.748 122.105 122.820 0.055 0.000 1.908 1214 A HA -0.241 4.079 4.320 0.000 0.000 0.218 1214 A C 1.965 179.569 177.584 0.034 0.000 1.181 1214 A CA 2.047 54.108 52.037 0.041 0.000 0.627 1214 A CB -0.884 18.129 19.000 0.022 0.000 0.818 1214 A HN 0.609 nan 8.150 nan 0.000 0.445 1215 D N -1.616 118.807 120.400 0.038 0.000 2.149 1215 D HA -0.110 4.530 4.640 0.000 0.000 0.201 1215 D C 1.719 178.035 176.300 0.026 0.000 0.972 1215 D CA 1.655 55.668 54.000 0.023 0.000 0.835 1215 D CB -0.649 40.164 40.800 0.022 0.000 0.966 1215 D HN 0.732 nan 8.370 nan 0.000 0.476 1216 H N 1.038 120.082 119.070 -0.044 0.000 2.319 1216 H HA -0.049 4.507 4.556 0.000 0.000 0.299 1216 H C 2.090 177.338 175.328 -0.133 0.000 1.092 1216 H CA 1.404 57.409 56.048 -0.072 0.000 1.302 1216 H CB -0.400 29.338 29.762 -0.040 0.000 1.373 1216 H HN 0.064 nan 8.280 nan 0.000 0.497 1217 I N 0.193 120.657 120.570 -0.178 0.000 2.163 1217 I HA -0.221 3.950 4.170 0.000 0.000 0.240 1217 I C 2.599 178.582 176.117 -0.223 0.000 1.081 1217 I CA 1.626 62.766 61.300 -0.267 0.000 1.353 1217 I CB -0.426 37.571 38.000 -0.005 0.000 1.054 1217 I HN 0.418 nan 8.210 nan 0.000 0.407 1218 E N 0.860 121.001 120.200 -0.099 0.000 2.114 1218 E HA -0.304 4.046 4.350 0.000 0.000 0.199 1218 E C 2.319 178.854 176.600 -0.108 0.000 1.008 1218 E CA 1.546 57.906 56.400 -0.067 0.000 0.810 1218 E CB 0.034 29.716 29.700 -0.029 0.000 0.739 1218 E HN 0.283 nan 8.360 nan 0.000 0.456 1219 R N -0.127 120.281 120.500 -0.153 0.000 2.096 1219 R HA -0.081 4.259 4.340 0.000 0.000 0.235 1219 R C 2.384 178.540 176.300 -0.241 0.000 1.127 1219 R CA 0.955 56.958 56.100 -0.162 0.000 0.968 1219 R CB -0.085 30.131 30.300 -0.140 0.000 0.861 1219 R HN 0.206 nan 8.270 nan 0.000 0.440 1220 L N -0.049 120.899 121.223 -0.458 0.000 2.109 1220 L HA -0.092 4.248 4.340 0.000 0.000 0.207 1220 L C 1.939 178.648 176.870 -0.268 0.000 1.086 1220 L CA 1.182 55.645 54.840 -0.629 0.000 0.760 1220 L CB -0.219 40.891 42.059 -1.581 0.000 0.910 1220 L HN 0.074 nan 8.230 nan 0.000 0.437 1221 K N 0.479 120.807 120.400 -0.121 0.000 2.439 1221 K HA 0.083 4.403 4.320 0.000 0.000 0.197 1221 K C 0.892 177.523 176.600 0.052 0.000 1.041 1221 K CA 0.169 56.523 56.287 0.112 0.000 0.970 1221 K CB 0.017 32.584 32.500 0.112 0.000 0.773 1221 K HN 0.214 nan 8.250 nan 0.000 0.479 1222 A N 1.815 124.632 122.820 -0.005 0.000 2.407 1222 A HA 0.153 4.473 4.320 0.000 0.000 0.248 1222 A C -0.184 177.408 177.584 0.013 0.000 1.082 1222 A CA -0.285 51.751 52.037 -0.001 0.000 0.785 1222 A CB -0.071 18.916 19.000 -0.022 0.000 1.020 1222 A HN 0.528 nan 8.150 nan 0.000 0.489 1223 N N 0.198 118.907 118.700 0.015 0.000 2.746 1223 N HA -0.158 4.582 4.740 0.000 0.000 0.250 1223 N C -0.429 175.099 175.510 0.029 0.000 1.055 1223 N CA 1.549 54.610 53.050 0.018 0.000 0.699 1223 N CB -1.271 37.224 38.487 0.014 0.000 0.919 1223 N HN 0.929 nan 8.380 nan 0.000 0.548 1224 D N 0.312 120.731 120.400 0.032 0.000 2.927 1224 D HA -0.210 4.430 4.640 0.000 0.000 0.236 1224 D C -0.414 175.922 176.300 0.059 0.000 1.163 1224 D CA 1.267 55.290 54.000 0.038 0.000 0.801 1224 D CB -0.998 39.819 40.800 0.028 0.000 0.975 1224 D HN 0.539 nan 8.370 nan 0.000 0.413 1225 N N -0.734 118.020 118.700 0.090 0.000 2.696 1225 N HA -0.268 4.472 4.740 0.000 0.000 0.249 1225 N C 1.300 176.903 175.510 0.156 0.000 1.090 1225 N CA 0.965 54.116 53.050 0.169 0.000 0.716 1225 N CB -1.157 37.419 38.487 0.147 0.000 1.020 1225 N HN 0.522 nan 8.380 nan 0.000 0.548 1226 L N 0.277 121.555 121.223 0.092 0.000 2.012 1226 L HA -0.110 4.230 4.340 0.000 0.000 0.210 1226 L C 1.961 178.885 176.870 0.090 0.000 1.073 1226 L CA 2.014 56.900 54.840 0.076 0.000 0.748 1226 L CB -0.215 41.870 42.059 0.043 0.000 0.891 1226 L HN 0.177 nan 8.230 nan 0.000 0.431 1227 K N -1.929 118.505 120.400 0.057 0.000 2.243 1227 K HA -0.037 4.283 4.320 0.000 0.000 0.201 1227 K C 1.955 178.612 176.600 0.096 0.000 1.051 1227 K CA 0.671 56.977 56.287 0.033 0.000 0.970 1227 K CB -0.157 32.310 32.500 -0.055 0.000 0.755 1227 K HN 0.140 nan 8.250 nan 0.000 0.465 1228 F N 1.780 121.752 119.950 0.036 0.000 2.091 1228 F HA -0.260 4.267 4.527 0.000 0.000 0.299 1228 F C 2.368 178.271 175.800 0.171 0.000 1.103 1228 F CA 1.337 59.391 58.000 0.091 0.000 1.228 1228 F CB -0.508 38.505 39.000 0.022 0.000 0.984 1228 F HN -0.072 nan 8.300 nan 0.000 0.477 1229 S N -0.585 115.312 115.700 0.329 0.000 2.356 1229 S HA -0.229 4.241 4.470 0.000 0.000 0.223 1229 S C 1.898 176.637 174.600 0.232 0.000 1.032 1229 S CA 1.291 59.637 58.200 0.244 0.000 1.005 1229 S CB -0.432 62.861 63.200 0.156 0.000 0.867 1229 S HN 0.472 nan 8.310 nan 0.000 0.449 1230 Q N 0.691 120.604 119.800 0.188 0.000 2.124 1230 Q HA -0.150 4.190 4.340 0.000 0.000 0.202 1230 Q C 2.284 178.402 176.000 0.196 0.000 0.977 1230 Q CA 1.249 57.146 55.803 0.156 0.000 0.850 1230 Q CB -0.138 28.668 28.738 0.112 0.000 0.901 1230 Q HN 0.606 nan 8.270 nan 0.000 0.429 1231 E N -0.045 120.312 120.200 0.262 0.000 2.028 1231 E HA -0.216 4.134 4.350 0.000 0.000 0.191 1231 E C 1.832 178.617 176.600 0.308 0.000 0.988 1231 E CA 0.840 57.435 56.400 0.326 0.000 0.799 1231 E CB -0.128 29.824 29.700 0.420 0.000 0.755 1231 E HN 0.328 nan 8.360 nan 0.000 0.447 1232 Y N 1.785 122.163 120.300 0.130 0.000 2.128 1232 Y HA -0.229 4.321 4.550 0.000 0.000 0.284 1232 Y C 2.037 177.889 175.900 -0.079 0.000 1.154 1232 Y CA 1.937 59.928 58.100 -0.182 0.000 1.149 1232 Y CB 0.057 38.432 38.460 -0.141 0.000 0.976 1232 Y HN 0.062 nan 8.280 nan 0.000 0.505 1233 E N -0.426 119.793 120.200 0.032 0.000 2.274 1233 E HA -0.126 4.224 4.350 0.000 0.000 0.194 1233 E C 2.344 178.915 176.600 -0.048 0.000 0.996 1233 E CA 1.046 57.418 56.400 -0.046 0.000 0.840 1233 E CB -0.442 29.302 29.700 0.073 0.000 0.772 1233 E HN 0.603 nan 8.360 nan 0.000 0.491 1234 S N 0.583 116.301 115.700 0.031 0.000 2.474 1234 S HA -0.054 4.416 4.470 0.000 0.000 0.235 1234 S C 1.185 175.808 174.600 0.037 0.000 0.997 1234 S CA -0.044 58.203 58.200 0.079 0.000 0.949 1234 S CB -0.507 62.795 63.200 0.171 0.000 0.766 1234 S HN 0.099 nan 8.310 nan 0.000 0.517 1235 I N 2.923 123.431 120.570 -0.103 0.000 2.662 1235 I HA 0.149 4.319 4.170 0.000 0.000 0.285 1235 I C -0.103 175.915 176.117 -0.166 0.000 1.161 1235 I CA 0.377 61.525 61.300 -0.255 0.000 1.415 1235 I CB 0.176 37.904 38.000 -0.453 0.000 1.385 1235 I HN 0.229 nan 8.210 nan 0.000 0.552 1236 D N 9.326 129.656 120.400 -0.116 0.000 2.470 1236 D HA 0.195 4.835 4.640 0.000 0.000 0.233 1236 D C -1.643 174.640 176.300 -0.028 0.000 1.372 1236 D CA -1.255 52.718 54.000 -0.045 0.000 0.994 1236 D CB 2.004 42.798 40.800 -0.010 0.000 1.377 1236 D HN 0.191 nan 8.370 nan 0.000 0.586 1237 P HA 0.027 nan 4.420 nan 0.000 0.218 1237 P C 0.921 178.214 177.300 -0.011 0.000 1.148 1237 P CA 1.284 64.404 63.100 0.034 0.000 0.822 1237 P CB 0.159 31.962 31.700 0.172 0.000 0.784 1238 G N -0.018 108.757 108.800 -0.041 0.000 2.246 1238 G HA2 -0.247 3.713 3.960 0.000 0.000 0.273 1238 G HA3 -0.247 3.713 3.960 0.000 0.000 0.273 1238 G C -0.245 174.551 174.900 -0.174 0.000 1.055 1238 G CA 0.047 45.096 45.100 -0.086 0.000 0.851 1238 G HN 0.465 nan 8.290 nan 0.000 0.500 1239 Q N -1.109 118.492 119.800 -0.332 0.000 2.399 1239 Q HA 0.629 4.969 4.340 0.000 0.000 0.276 1239 Q C 0.023 175.476 176.000 -0.911 0.000 1.098 1239 Q CA -0.773 54.689 55.803 -0.568 0.000 0.827 1239 Q CB 1.455 29.814 28.738 -0.633 0.000 1.386 1239 Q HN 0.494 nan 8.270 nan 0.000 0.443 1240 Q N 0.819 120.172 119.800 -0.745 0.000 2.230 1240 Q HA 0.551 4.891 4.340 0.000 0.000 0.253 1240 Q C -1.223 174.293 176.000 -0.806 0.000 0.919 1240 Q CA -0.191 55.232 55.803 -0.633 0.000 0.908 1240 Q CB 1.105 29.663 28.738 -0.299 0.000 1.245 1240 Q HN 0.346 nan 8.270 nan 0.000 0.437 1241 F N -0.567 119.319 119.950 -0.107 0.000 2.631 1241 F HA 0.634 5.162 4.527 0.000 0.000 0.328 1241 F C 0.361 176.169 175.800 0.013 0.000 1.067 1241 F CA -0.935 56.990 58.000 -0.125 0.000 0.969 1241 F CB 1.772 40.478 39.000 -0.490 0.000 1.332 1241 F HN 0.467 nan 8.300 nan 0.000 0.490 1242 T N -2.713 111.997 114.554 0.260 0.000 2.916 1242 T HA 0.613 4.963 4.350 0.000 0.000 0.292 1242 T C -1.341 173.562 174.700 0.339 0.000 1.064 1242 T CA -0.641 61.420 62.100 -0.066 0.000 1.011 1242 T CB 1.731 70.521 68.868 -0.129 0.000 1.152 1242 T HN 0.839 nan 8.240 nan 0.000 0.510 1243 W N 0.063 121.492 121.300 0.216 0.000 0.923 1243 W HA 0.547 5.207 4.660 0.000 0.000 0.297 1243 W C 0.348 176.945 176.519 0.130 0.000 0.847 1243 W CA -0.870 56.607 57.345 0.220 0.000 1.867 1243 W CB -0.702 28.893 29.460 0.225 0.000 1.493 1243 W HN 0.733 nan 8.180 nan 0.000 0.494 1244 E N 0.296 120.495 120.200 -0.002 0.000 2.077 1244 E HA -0.221 4.129 4.350 0.000 0.000 0.193 1244 E C 1.718 178.257 176.600 -0.101 0.000 0.989 1244 E CA 1.757 58.084 56.400 -0.122 0.000 0.800 1244 E CB -0.131 29.436 29.700 -0.222 0.000 0.746 1244 E HN 0.460 nan 8.360 nan 0.000 0.452 1245 H N -0.094 119.024 119.070 0.080 0.000 2.357 1245 H HA 0.021 4.577 4.556 0.000 0.000 0.301 1245 H C 2.338 177.557 175.328 -0.182 0.000 1.082 1245 H CA 1.173 57.237 56.048 0.026 0.000 1.342 1245 H CB 0.024 29.898 29.762 0.188 0.000 1.389 1245 H HN 0.066 nan 8.280 nan 0.000 0.511 1246 S N 0.841 116.614 115.700 0.121 0.000 2.419 1246 S HA -0.107 4.363 4.470 0.000 0.000 0.235 1246 S C 1.625 176.188 174.600 -0.062 0.000 1.019 1246 S CA 0.946 59.133 58.200 -0.023 0.000 0.982 1246 S CB -0.024 63.346 63.200 0.283 0.000 0.789 1246 S HN 0.432 nan 8.310 nan 0.000 0.490 1247 N N 0.582 119.299 118.700 0.029 0.000 2.236 1247 N HA 0.260 5.000 4.740 0.000 0.000 0.196 1247 N C -0.209 175.275 175.510 -0.044 0.000 1.114 1247 N CA 0.003 53.076 53.050 0.038 0.000 0.859 1247 N CB -0.013 38.557 38.487 0.139 0.000 0.982 1247 N HN 0.352 nan 8.380 nan 0.000 0.493 1248 L N 1.316 122.473 121.223 -0.109 0.000 2.490 1248 L HA -0.012 4.328 4.340 0.000 0.000 0.274 1248 L C 1.993 178.808 176.870 -0.092 0.000 1.201 1248 L CA 0.064 54.840 54.840 -0.107 0.000 0.869 1248 L CB 0.675 42.663 42.059 -0.120 0.000 1.123 1248 L HN 0.205 nan 8.230 nan 0.000 0.484 1249 E N 2.180 122.344 120.200 -0.060 0.000 2.070 1249 E HA -0.238 4.112 4.350 0.000 0.000 0.197 1249 E C 1.744 178.313 176.600 -0.051 0.000 1.004 1249 E CA 2.080 58.453 56.400 -0.046 0.000 0.805 1249 E CB 0.104 29.785 29.700 -0.031 0.000 0.744 1249 E HN 0.655 nan 8.360 nan 0.000 0.451 1250 V N -0.320 119.563 119.914 -0.051 0.000 2.688 1250 V HA -0.179 3.941 4.120 0.000 0.000 0.256 1250 V C 1.476 177.532 176.094 -0.064 0.000 1.084 1250 V CA 1.977 64.252 62.300 -0.041 0.000 1.103 1250 V CB -0.551 31.260 31.823 -0.020 0.000 0.688 1250 V HN 0.205 nan 8.190 nan 0.000 0.480 1251 N N 0.193 118.810 118.700 -0.138 0.000 2.368 1251 N HA 0.099 4.839 4.740 0.000 0.000 0.178 1251 N C 1.635 177.034 175.510 -0.184 0.000 1.076 1251 N CA 0.663 53.561 53.050 -0.254 0.000 0.889 1251 N CB -0.047 38.029 38.487 -0.685 0.000 1.040 1251 N HN 0.536 nan 8.380 nan 0.000 0.463 1252 K N 0.928 121.256 120.400 -0.120 0.000 2.089 1252 K HA -0.131 4.189 4.320 0.000 0.000 0.210 1252 K C -0.926 175.655 176.600 -0.031 0.000 1.048 1252 K CA 1.462 57.715 56.287 -0.057 0.000 0.926 1252 K CB -0.859 31.619 32.500 -0.036 0.000 0.714 1252 K HN 0.208 nan 8.250 nan 0.000 0.448 1253 P HA -0.098 nan 4.420 nan 0.000 0.230 1253 P C 0.110 177.400 177.300 -0.015 0.000 1.158 1253 P CA 1.114 64.196 63.100 -0.029 0.000 0.769 1253 P CB 0.070 31.750 31.700 -0.032 0.000 0.807 1254 K N -1.015 119.401 120.400 0.026 0.000 2.444 1254 K HA 0.087 4.407 4.320 0.000 0.000 0.193 1254 K C 0.159 176.829 176.600 0.117 0.000 1.024 1254 K CA 0.111 56.453 56.287 0.091 0.000 1.077 1254 K CB -0.089 32.549 32.500 0.229 0.000 0.833 1254 K HN 0.176 nan 8.250 nan 0.000 0.517 1255 N N 1.427 120.174 118.700 0.079 0.000 2.419 1255 N HA 0.077 4.817 4.740 0.000 0.000 0.277 1255 N C 0.437 175.936 175.510 -0.020 0.000 1.006 1255 N CA -0.062 53.032 53.050 0.072 0.000 0.923 1255 N CB 1.732 40.273 38.487 0.091 0.000 1.140 1255 N HN 0.047 nan 8.380 nan 0.000 0.488 1256 R N 2.210 122.679 120.500 -0.052 0.000 2.066 1256 R HA -0.043 4.297 4.340 0.000 0.000 0.232 1256 R C -0.339 175.712 176.300 -0.415 0.000 1.131 1256 R CA 1.389 57.351 56.100 -0.229 0.000 0.955 1256 R CB 0.147 30.316 30.300 -0.218 0.000 0.851 1256 R HN 0.525 nan 8.270 nan 0.000 0.432 1257 Y N -0.973 119.322 120.300 -0.007 0.000 2.331 1257 Y HA 0.405 4.955 4.550 0.000 0.000 0.334 1257 Y C 0.720 176.620 175.900 0.001 0.000 0.960 1257 Y CA -0.482 57.612 58.100 -0.010 0.000 1.130 1257 Y CB 1.976 40.424 38.460 -0.020 0.000 1.164 1257 Y HN 0.060 nan 8.280 nan 0.000 0.458 1258 A N 2.335 125.223 122.820 0.113 0.000 2.024 1258 A HA -0.246 4.074 4.320 0.000 0.000 0.220 1258 A C 1.733 179.365 177.584 0.081 0.000 1.164 1258 A CA 2.073 54.157 52.037 0.078 0.000 0.643 1258 A CB -0.456 18.574 19.000 0.050 0.000 0.806 1258 A HN 0.856 nan 8.150 nan 0.000 0.451 1259 N N -0.490 118.272 118.700 0.103 0.000 2.398 1259 N HA 0.062 4.802 4.740 0.000 0.000 0.188 1259 N C -0.316 175.273 175.510 0.133 0.000 1.122 1259 N CA 0.442 53.536 53.050 0.074 0.000 0.866 1259 N CB 0.005 38.511 38.487 0.033 0.000 0.970 1259 N HN 0.162 nan 8.380 nan 0.000 0.462 1260 V N 2.588 122.585 119.914 0.138 0.000 2.284 1260 V HA 0.349 4.469 4.120 0.000 0.000 0.274 1260 V C 0.003 176.112 176.094 0.025 0.000 1.023 1260 V CA -1.020 61.361 62.300 0.135 0.000 0.808 1260 V CB 0.251 32.150 31.823 0.126 0.000 1.035 1260 V HN 0.145 nan 8.190 nan 0.000 0.445 1261 I N 1.863 122.368 120.570 -0.109 0.000 3.205 1261 I HA 0.998 5.168 4.170 0.000 0.000 0.310 1261 I C 0.299 176.306 176.117 -0.183 0.000 1.089 1261 I CA -1.320 59.931 61.300 -0.082 0.000 1.023 1261 I CB 1.413 39.371 38.000 -0.071 0.000 1.269 1261 I HN 0.433 nan 8.210 nan 0.000 0.512 1262 A N 1.427 124.231 122.820 -0.026 0.000 2.285 1262 A HA 0.641 4.961 4.320 0.000 0.000 0.310 1262 A C -1.177 176.456 177.584 0.082 0.000 1.266 1262 A CA -0.457 51.530 52.037 -0.084 0.000 0.832 1262 A CB -0.340 18.637 19.000 -0.039 0.000 1.163 1262 A HN 0.486 nan 8.150 nan 0.000 0.499 1263 Y N 1.733 122.045 120.300 0.020 0.000 2.811 1263 Y HA -0.058 4.492 4.550 0.000 0.000 0.334 1263 Y C 1.344 177.328 175.900 0.141 0.000 1.247 1263 Y CA 0.069 58.252 58.100 0.138 0.000 1.526 1263 Y CB 0.218 38.692 38.460 0.024 0.000 1.284 1263 Y HN 0.751 nan 8.280 nan 0.000 0.586 1264 D N 0.829 121.502 120.400 0.454 0.000 2.123 1264 D HA -0.211 4.429 4.640 0.000 0.000 0.196 1264 D C 2.083 178.528 176.300 0.241 0.000 0.992 1264 D CA 1.896 56.093 54.000 0.328 0.000 0.833 1264 D CB -0.262 40.743 40.800 0.340 0.000 0.954 1264 D HN 0.809 nan 8.370 nan 0.000 0.455 1265 H N 0.315 119.516 119.070 0.218 0.000 2.423 1265 H HA 0.033 4.589 4.556 0.000 0.000 0.297 1265 H C 1.355 176.785 175.328 0.171 0.000 1.075 1265 H CA 1.644 57.795 56.048 0.171 0.000 1.342 1265 H CB -0.173 29.687 29.762 0.164 0.000 1.395 1265 H HN 0.132 nan 8.280 nan 0.000 0.530 1266 S N 0.620 116.017 115.700 -0.504 0.000 2.578 1266 S HA 0.135 4.605 4.470 0.000 0.000 0.231 1266 S C 0.919 175.462 174.600 -0.095 0.000 0.994 1266 S CA -0.857 57.183 58.200 -0.266 0.000 0.956 1266 S CB 0.154 63.106 63.200 -0.414 0.000 0.870 1266 S HN 0.560 nan 8.310 nan 0.000 0.494 1267 R N 0.909 121.353 120.500 -0.093 0.000 2.641 1267 R HA 0.489 4.829 4.340 0.000 0.000 0.269 1267 R C -0.736 175.409 176.300 -0.258 0.000 1.074 1267 R CA -0.561 55.439 56.100 -0.166 0.000 1.133 1267 R CB 0.288 30.534 30.300 -0.089 0.000 1.029 1267 R HN 0.036 nan 8.270 nan 0.000 0.488 1268 V N 3.587 123.223 119.914 -0.463 0.000 2.530 1268 V HA 0.157 4.277 4.120 0.000 0.000 0.282 1268 V C 0.102 176.039 176.094 -0.262 0.000 1.048 1268 V CA -0.526 61.450 62.300 -0.541 0.000 0.997 1268 V CB 0.902 32.342 31.823 -0.639 0.000 0.987 1268 V HN 0.501 nan 8.190 nan 0.000 0.477 1269 L N 5.694 126.845 121.223 -0.121 0.000 2.309 1269 L HA 0.503 4.844 4.340 0.000 0.000 0.282 1269 L C -0.036 176.806 176.870 -0.047 0.000 1.036 1269 L CA 0.123 54.916 54.840 -0.078 0.000 0.806 1269 L CB 1.403 43.446 42.059 -0.028 0.000 1.220 1269 L HN 0.436 nan 8.230 nan 0.000 0.429 1270 L N 1.504 122.702 121.223 -0.042 0.000 2.418 1270 L HA 0.395 4.735 4.340 0.000 0.000 0.265 1270 L C 0.696 177.579 176.870 0.022 0.000 1.143 1270 L CA -0.643 54.196 54.840 -0.002 0.000 0.809 1270 L CB 1.110 43.172 42.059 0.003 0.000 1.124 1270 L HN 0.764 nan 8.230 nan 0.000 0.456 1271 S N 1.329 117.054 115.700 0.041 0.000 2.549 1271 S HA 0.345 4.815 4.470 0.000 0.000 0.286 1271 S C 0.172 174.796 174.600 0.040 0.000 1.314 1271 S CA -0.854 57.372 58.200 0.044 0.000 1.062 1271 S CB 0.955 64.188 63.200 0.056 0.000 0.865 1271 S HN 0.691 nan 8.310 nan 0.000 0.498 1272 A N 3.608 126.451 122.820 0.039 0.000 2.462 1272 A HA 0.491 4.811 4.320 0.000 0.000 0.243 1272 A C 0.211 177.817 177.584 0.037 0.000 1.076 1272 A CA -0.567 51.494 52.037 0.041 0.000 0.773 1272 A CB -0.284 18.741 19.000 0.042 0.000 1.010 1272 A HN 0.889 nan 8.150 nan 0.000 0.493 1273 I N 1.505 122.097 120.570 0.037 0.000 2.321 1273 I HA 0.175 4.345 4.170 0.000 0.000 0.291 1273 I C 0.447 176.582 176.117 0.029 0.000 0.998 1273 I CA -0.374 60.945 61.300 0.031 0.000 1.227 1273 I CB 1.511 39.529 38.000 0.029 0.000 1.368 1273 I HN 0.880 nan 8.210 nan 0.000 0.466 1274 E N 5.354 125.569 120.200 0.025 0.000 2.465 1274 E HA 0.183 4.533 4.350 0.000 0.000 0.260 1274 E C 1.146 177.759 176.600 0.021 0.000 0.980 1274 E CA 1.069 57.483 56.400 0.023 0.000 0.927 1274 E CB 0.409 30.120 29.700 0.020 0.000 0.934 1274 E HN 0.821 nan 8.360 nan 0.000 0.459 1275 G N 4.030 112.843 108.800 0.021 0.000 2.179 1275 G HA2 -0.261 3.699 3.960 0.000 0.000 0.260 1275 G HA3 -0.261 3.699 3.960 0.000 0.000 0.260 1275 G C 0.213 175.125 174.900 0.020 0.000 0.977 1275 G CA 0.291 45.402 45.100 0.019 0.000 0.641 1275 G HN 0.530 nan 8.290 nan 0.000 0.533 1276 I N 1.803 122.389 120.570 0.026 0.000 2.464 1276 I HA 0.279 4.449 4.170 0.000 0.000 0.277 1276 I C -2.284 173.854 176.117 0.036 0.000 1.040 1276 I CA -2.221 59.096 61.300 0.029 0.000 1.153 1276 I CB 1.752 39.770 38.000 0.031 0.000 1.274 1276 I HN -0.171 nan 8.210 nan 0.000 0.469 1277 P HA 0.094 nan 4.420 nan 0.000 0.265 1277 P C 1.003 178.332 177.300 0.048 0.000 1.193 1277 P CA 0.646 63.769 63.100 0.038 0.000 0.765 1277 P CB 0.695 32.409 31.700 0.024 0.000 0.823 1278 G N 2.285 111.127 108.800 0.071 0.000 2.179 1278 G HA2 -0.309 3.651 3.960 0.000 0.000 0.260 1278 G HA3 -0.309 3.651 3.960 0.000 0.000 0.260 1278 G C 1.070 176.042 174.900 0.119 0.000 0.977 1278 G CA 0.511 45.668 45.100 0.094 0.000 0.641 1278 G HN 0.620 nan 8.290 nan 0.000 0.533 1279 S N 0.654 116.408 115.700 0.091 0.000 2.555 1279 S HA 0.051 4.521 4.470 0.000 0.000 0.230 1279 S C 1.621 176.271 174.600 0.084 0.000 0.978 1279 S CA 1.402 59.653 58.200 0.084 0.000 0.934 1279 S CB -0.088 63.148 63.200 0.059 0.000 0.766 1279 S HN 0.750 nan 8.310 nan 0.000 0.533 1280 D N -0.206 120.249 120.400 0.092 0.000 2.349 1280 D HA -0.043 4.597 4.640 0.000 0.000 0.224 1280 D C 0.145 176.484 176.300 0.066 0.000 1.029 1280 D CA -0.236 53.800 54.000 0.059 0.000 0.879 1280 D CB -0.569 40.248 40.800 0.029 0.000 0.906 1280 D HN 0.580 nan 8.370 nan 0.000 0.528 1281 Y N 0.547 120.845 120.300 -0.003 0.000 2.320 1281 Y HA 0.462 5.012 4.550 0.000 0.000 0.334 1281 Y C -0.849 175.043 175.900 -0.013 0.000 1.055 1281 Y CA -0.887 57.209 58.100 -0.006 0.000 1.143 1281 Y CB 1.236 39.720 38.460 0.039 0.000 1.193 1281 Y HN -0.137 nan 8.280 nan 0.000 0.477 1282 V N 6.876 126.328 119.914 -0.771 0.000 2.925 1282 V HA 0.357 4.477 4.120 0.000 0.000 0.311 1282 V C -1.166 174.323 176.094 -1.008 0.000 1.104 1282 V CA -0.984 60.900 62.300 -0.695 0.000 0.954 1282 V CB 2.058 33.690 31.823 -0.318 0.000 1.022 1282 V HN 0.866 nan 8.190 nan 0.000 0.427 1283 N N 4.422 122.760 118.700 -0.604 0.000 2.605 1283 N HA 0.580 5.320 4.740 0.000 0.000 0.258 1283 N C -0.555 174.812 175.510 -0.238 0.000 1.156 1283 N CA 0.708 53.560 53.050 -0.330 0.000 1.008 1283 N CB 0.485 38.947 38.487 -0.041 0.000 1.354 1283 N HN 1.033 nan 8.380 nan 0.000 0.509 1284 A N 2.948 125.596 122.820 -0.287 0.000 2.577 1284 A HA 0.545 4.865 4.320 0.000 0.000 0.297 1284 A C -1.288 176.121 177.584 -0.292 0.000 1.060 1284 A CA -0.907 50.979 52.037 -0.251 0.000 0.697 1284 A CB 0.912 19.748 19.000 -0.273 0.000 1.281 1284 A HN 0.591 nan 8.150 nan 0.000 0.402 1285 N N -0.012 118.539 118.700 -0.248 0.000 2.240 1285 N HA 0.631 5.371 4.740 0.000 0.000 0.302 1285 N C -1.470 173.922 175.510 -0.196 0.000 1.106 1285 N CA -0.466 52.435 53.050 -0.249 0.000 0.778 1285 N CB 1.053 39.435 38.487 -0.175 0.000 1.431 1285 N HN 0.558 nan 8.380 nan 0.000 0.479 1286 Y N 1.016 121.288 120.300 -0.048 0.000 2.411 1286 Y HA 0.289 4.839 4.550 0.000 0.000 0.333 1286 Y C 0.204 176.123 175.900 0.031 0.000 1.186 1286 Y CA -0.042 58.058 58.100 0.000 0.000 1.381 1286 Y CB 0.458 38.911 38.460 -0.011 0.000 1.273 1286 Y HN 0.201 nan 8.280 nan 0.000 0.546 1287 I N 3.174 123.913 120.570 0.281 0.000 2.582 1287 I HA 0.211 4.381 4.170 0.000 0.000 0.292 1287 I C -0.559 175.748 176.117 0.317 0.000 1.066 1287 I CA -1.184 60.262 61.300 0.243 0.000 1.053 1287 I CB 1.655 39.789 38.000 0.224 0.000 1.241 1287 I HN 0.504 nan 8.210 nan 0.000 0.421 1288 D N 3.658 124.202 120.400 0.239 0.000 2.362 1288 D HA 0.455 5.095 4.640 0.000 0.000 0.242 1288 D C 0.581 177.147 176.300 0.444 0.000 1.132 1288 D CA 0.244 54.391 54.000 0.246 0.000 0.907 1288 D CB 1.543 42.443 40.800 0.166 0.000 1.195 1288 D HN 0.762 nan 8.370 nan 0.000 0.429 1289 G N -0.451 108.567 108.800 0.362 0.000 2.828 1289 G HA2 0.285 4.245 3.960 0.000 0.000 0.244 1289 G HA3 0.285 4.245 3.960 0.000 0.000 0.244 1289 G C -1.216 173.863 174.900 0.297 0.000 1.365 1289 G CA -0.674 44.684 45.100 0.430 0.000 1.041 1289 G HN 0.476 nan 8.290 nan 0.000 0.560 1290 Y N 0.729 121.071 120.300 0.069 0.000 2.486 1290 Y HA 0.364 4.914 4.550 0.000 0.000 0.348 1290 Y C 1.247 177.149 175.900 0.002 0.000 1.000 1290 Y CA -0.114 57.995 58.100 0.016 0.000 1.253 1290 Y CB 0.198 38.633 38.460 -0.042 0.000 1.140 1290 Y HN 0.659 nan 8.280 nan 0.000 0.526 1291 R N 2.706 122.936 120.500 -0.449 0.000 3.758 1291 R HA -0.241 4.099 4.340 0.000 0.000 0.299 1291 R C -1.118 175.064 176.300 -0.198 0.000 1.182 1291 R CA 1.224 57.078 56.100 -0.410 0.000 0.809 1291 R CB -1.308 28.595 30.300 -0.662 0.000 1.249 1291 R HN 0.614 nan 8.270 nan 0.000 0.497 1292 K N 0.424 120.767 120.400 -0.096 0.000 2.482 1292 K HA 0.294 4.614 4.320 0.000 0.000 0.251 1292 K C -0.905 175.674 176.600 -0.035 0.000 0.936 1292 K CA -0.948 55.294 56.287 -0.075 0.000 0.791 1292 K CB 1.976 34.425 32.500 -0.084 0.000 1.213 1292 K HN -0.145 nan 8.250 nan 0.000 0.428 1293 Q N 1.858 121.623 119.800 -0.059 0.000 2.257 1293 Q HA 0.284 4.624 4.340 0.000 0.000 0.255 1293 Q C -0.410 175.543 176.000 -0.078 0.000 0.920 1293 Q CA -0.367 55.406 55.803 -0.049 0.000 0.927 1293 Q CB 0.741 29.437 28.738 -0.069 0.000 1.229 1293 Q HN 0.467 nan 8.270 nan 0.000 0.433 1294 N N 0.968 119.642 118.700 -0.042 0.000 2.716 1294 N HA -0.265 4.475 4.740 0.000 0.000 0.250 1294 N C 0.037 175.528 175.510 -0.031 0.000 1.033 1294 N CA 0.914 53.935 53.050 -0.049 0.000 0.727 1294 N CB -1.008 37.267 38.487 -0.354 0.000 0.950 1294 N HN 0.748 nan 8.380 nan 0.000 0.541 1295 A N -1.437 121.345 122.820 -0.064 0.000 2.067 1295 A HA 0.020 4.340 4.320 0.000 0.000 0.219 1295 A C 0.401 177.725 177.584 -0.434 0.000 1.158 1295 A CA 1.112 52.966 52.037 -0.306 0.000 0.661 1295 A CB 0.050 18.761 19.000 -0.480 0.000 0.801 1295 A HN 0.428 nan 8.150 nan 0.000 0.452 1296 Y N -2.319 118.055 120.300 0.123 0.000 2.605 1296 Y HA 0.685 5.236 4.550 0.000 0.000 0.343 1296 Y C -0.353 175.628 175.900 0.134 0.000 1.036 1296 Y CA -1.166 57.009 58.100 0.125 0.000 1.065 1296 Y CB 1.415 39.962 38.460 0.145 0.000 1.288 1296 Y HN -0.093 nan 8.280 nan 0.000 0.481 1297 I N 1.943 122.661 120.570 0.246 0.000 2.418 1297 I HA 0.602 4.772 4.170 0.000 0.000 0.287 1297 I C -0.643 175.514 176.117 0.066 0.000 1.008 1297 I CA -0.817 60.536 61.300 0.089 0.000 1.104 1297 I CB 1.491 39.474 38.000 -0.028 0.000 1.264 1297 I HN 0.732 nan 8.210 nan 0.000 0.438 1298 A N 4.599 127.434 122.820 0.024 0.000 2.274 1298 A HA 0.775 5.095 4.320 0.000 0.000 0.309 1298 A C -0.227 177.337 177.584 -0.034 0.000 1.226 1298 A CA -0.271 51.769 52.037 0.005 0.000 0.853 1298 A CB 1.182 20.177 19.000 -0.008 0.000 1.146 1298 A HN 0.627 nan 8.150 nan 0.000 0.518 1299 T N 1.071 115.628 114.554 0.005 0.000 2.868 1299 T HA 0.459 4.809 4.350 0.000 0.000 0.306 1299 T C -0.456 174.256 174.700 0.021 0.000 1.224 1299 T CA -0.583 61.508 62.100 -0.015 0.000 1.012 1299 T CB 1.131 69.989 68.868 -0.018 0.000 1.221 1299 T HN 0.905 nan 8.240 nan 0.000 0.499 1300 Q N 1.524 121.318 119.800 -0.010 0.000 2.492 1300 Q HA 0.472 4.812 4.340 0.000 0.000 0.238 1300 Q C 0.603 176.547 176.000 -0.094 0.000 1.045 1300 Q CA -0.586 55.221 55.803 0.008 0.000 0.934 1300 Q CB 0.017 28.767 28.738 0.020 0.000 1.276 1300 Q HN 0.754 nan 8.270 nan 0.000 0.521 1301 G N 1.389 110.159 108.800 -0.051 0.000 2.343 1301 G HA2 0.210 4.170 3.960 0.000 0.000 0.254 1301 G HA3 0.210 4.170 3.960 0.000 0.000 0.254 1301 G C 0.007 174.748 174.900 -0.265 0.000 1.277 1301 G CA -0.139 44.832 45.100 -0.215 0.000 0.909 1301 G HN 0.703 nan 8.290 nan 0.000 0.502 1302 S N 1.812 117.204 115.700 -0.514 0.000 2.589 1302 S HA 0.455 4.925 4.470 0.000 0.000 0.265 1302 S C 0.203 174.769 174.600 -0.057 0.000 1.342 1302 S CA -0.522 57.503 58.200 -0.290 0.000 1.005 1302 S CB 0.965 63.927 63.200 -0.398 0.000 0.909 1302 S HN 0.464 nan 8.310 nan 0.000 0.555 1303 L N 0.945 122.071 121.223 -0.161 0.000 2.322 1303 L HA 0.423 4.764 4.340 0.000 0.000 0.269 1303 L C -1.749 174.583 176.870 -0.896 0.000 1.012 1303 L CA -2.617 52.035 54.840 -0.314 0.000 0.815 1303 L CB 1.376 43.295 42.059 -0.232 0.000 1.295 1303 L HN 0.383 nan 8.230 nan 0.000 0.438 1304 P HA -0.200 nan 4.420 nan 0.000 0.217 1304 P C 0.689 177.515 177.300 -0.790 0.000 1.151 1304 P CA 1.282 63.545 63.100 -1.395 0.000 0.849 1304 P CB 0.281 31.650 31.700 -0.551 0.000 0.787 1305 E N -1.875 118.064 120.200 -0.433 0.000 2.358 1305 E HA -0.056 4.294 4.350 0.000 0.000 0.195 1305 E C 1.450 177.970 176.600 -0.134 0.000 1.010 1305 E CA 1.349 57.624 56.400 -0.207 0.000 0.856 1305 E CB -0.728 28.891 29.700 -0.135 0.000 0.795 1305 E HN 0.363 nan 8.360 nan 0.000 0.504 1306 T N -2.692 111.752 114.554 -0.183 0.000 3.084 1306 T HA 0.149 4.499 4.350 0.000 0.000 0.270 1306 T C 0.999 175.758 174.700 0.099 0.000 1.008 1306 T CA -0.377 61.705 62.100 -0.030 0.000 0.900 1306 T CB -0.260 68.593 68.868 -0.025 0.000 1.084 1306 T HN -0.139 nan 8.240 nan 0.000 0.538 1307 F N 3.021 122.975 119.950 0.007 0.000 2.126 1307 F HA 0.146 4.673 4.527 0.000 0.000 0.299 1307 F C 2.628 178.545 175.800 0.195 0.000 1.096 1307 F CA 0.964 58.962 58.000 -0.002 0.000 1.255 1307 F CB -1.314 37.601 39.000 -0.141 0.000 0.997 1307 F HN 0.409 nan 8.300 nan 0.000 0.479 1308 G N -0.317 108.734 108.800 0.419 0.000 2.440 1308 G HA2 -0.236 3.724 3.960 0.000 0.000 0.218 1308 G HA3 -0.236 3.724 3.960 0.000 0.000 0.218 1308 G C 1.427 176.488 174.900 0.268 0.000 1.154 1308 G CA 1.110 46.430 45.100 0.367 0.000 0.767 1308 G HN 0.246 nan 8.290 nan 0.000 0.552 1309 D N -0.079 120.433 120.400 0.186 0.000 2.117 1309 D HA -0.092 4.548 4.640 0.000 0.000 0.197 1309 D C 1.966 178.315 176.300 0.081 0.000 0.987 1309 D CA 0.490 54.556 54.000 0.110 0.000 0.829 1309 D CB -0.386 40.456 40.800 0.070 0.000 0.961 1309 D HN 0.312 nan 8.370 nan 0.000 0.460 1310 F N -0.095 119.805 119.950 -0.084 0.000 2.102 1310 F HA -0.160 4.367 4.527 0.000 0.000 0.298 1310 F C 1.979 177.627 175.800 -0.254 0.000 1.105 1310 F CA 1.458 59.292 58.000 -0.277 0.000 1.239 1310 F CB -0.451 38.247 39.000 -0.503 0.000 0.991 1310 F HN -0.040 nan 8.300 nan 0.000 0.474 1311 W N 0.415 121.749 121.300 0.057 0.000 2.388 1311 W HA -0.056 4.604 4.660 0.000 0.000 0.294 1311 W C 2.759 179.295 176.519 0.028 0.000 1.212 1311 W CA 1.189 58.543 57.345 0.015 0.000 1.271 1311 W CB -0.462 29.095 29.460 0.160 0.000 1.126 1311 W HN -0.108 nan 8.180 nan 0.000 0.535 1312 R N 0.470 121.111 120.500 0.236 0.000 2.081 1312 R HA -0.194 4.146 4.340 0.000 0.000 0.235 1312 R C 2.227 178.604 176.300 0.129 0.000 1.131 1312 R CA 1.801 58.004 56.100 0.172 0.000 0.960 1312 R CB -0.555 29.808 30.300 0.104 0.000 0.856 1312 R HN 0.178 nan 8.270 nan 0.000 0.436 1313 M N 0.216 119.805 119.600 -0.018 0.000 2.080 1313 M HA -0.199 4.281 4.480 0.000 0.000 0.260 1313 M C 1.572 177.809 176.300 -0.105 0.000 1.068 1313 M CA 1.611 56.849 55.300 -0.103 0.000 1.109 1313 M CB -0.039 32.413 32.600 -0.246 0.000 1.342 1313 M HN 0.166 nan 8.290 nan 0.000 0.405 1314 I N 0.026 120.474 120.570 -0.203 0.000 2.163 1314 I HA -0.346 3.824 4.170 0.000 0.000 0.243 1314 I C 2.324 178.472 176.117 0.052 0.000 1.085 1314 I CA 1.501 62.718 61.300 -0.139 0.000 1.347 1314 I CB -2.008 35.902 38.000 -0.149 0.000 1.044 1314 I HN 0.673 nan 8.210 nan 0.000 0.408 1315 W N 2.376 123.681 121.300 0.008 0.000 2.332 1315 W HA -0.225 4.435 4.660 0.000 0.000 0.321 1315 W C 2.393 178.917 176.519 0.008 0.000 1.219 1315 W CA 1.837 59.202 57.345 0.032 0.000 1.277 1315 W CB -0.407 29.088 29.460 0.059 0.000 1.161 1315 W HN 0.261 nan 8.180 nan 0.000 0.476 1316 E N -0.341 120.036 120.200 0.295 0.000 2.153 1316 E HA -0.233 4.117 4.350 0.000 0.000 0.194 1316 E C 1.990 178.615 176.600 0.040 0.000 0.988 1316 E CA 0.988 57.498 56.400 0.185 0.000 0.811 1316 E CB -0.232 29.579 29.700 0.185 0.000 0.746 1316 E HN 0.278 nan 8.360 nan 0.000 0.466 1317 Q N 0.083 119.890 119.800 0.011 0.000 2.451 1317 Q HA 0.056 4.397 4.340 0.000 0.000 0.206 1317 Q C 0.106 176.079 176.000 -0.045 0.000 0.947 1317 Q CA 0.186 55.991 55.803 0.003 0.000 0.937 1317 Q CB 0.289 29.036 28.738 0.015 0.000 1.025 1317 Q HN 0.241 nan 8.270 nan 0.000 0.511 1318 R N 0.023 120.458 120.500 -0.108 0.000 3.651 1318 R HA -0.095 4.245 4.340 0.000 0.000 0.292 1318 R C -0.510 175.730 176.300 -0.100 0.000 1.161 1318 R CA 0.429 56.435 56.100 -0.156 0.000 0.787 1318 R CB -2.612 27.600 30.300 -0.146 0.000 1.249 1318 R HN 0.030 nan 8.270 nan 0.000 0.476 1319 S N -0.220 115.438 115.700 -0.069 0.000 2.564 1319 S HA 0.397 4.867 4.470 0.000 0.000 0.278 1319 S C 1.259 175.853 174.600 -0.010 0.000 1.333 1319 S CA 0.047 58.227 58.200 -0.034 0.000 1.048 1319 S CB 1.710 64.888 63.200 -0.036 0.000 0.900 1319 S HN 0.465 nan 8.310 nan 0.000 0.505 1320 A N 2.562 125.391 122.820 0.014 0.000 2.252 1320 A HA 0.350 4.670 4.320 0.000 0.000 0.213 1320 A C 0.630 178.286 177.584 0.119 0.000 1.188 1320 A CA 0.174 52.242 52.037 0.050 0.000 0.863 1320 A CB 0.293 19.310 19.000 0.029 0.000 0.893 1320 A HN 0.642 nan 8.150 nan 0.000 0.495 1321 T N -0.084 114.540 114.554 0.116 0.000 2.921 1321 T HA 0.537 4.887 4.350 0.000 0.000 0.297 1321 T C -1.171 173.626 174.700 0.161 0.000 1.013 1321 T CA -0.324 61.887 62.100 0.184 0.000 0.990 1321 T CB 1.924 70.868 68.868 0.126 0.000 1.023 1321 T HN -0.061 nan 8.240 nan 0.000 0.447 1322 V N 3.296 123.350 119.914 0.233 0.000 2.487 1322 V HA 0.556 4.676 4.120 0.000 0.000 0.298 1322 V C -0.434 175.794 176.094 0.224 0.000 1.028 1322 V CA -0.741 61.684 62.300 0.209 0.000 0.860 1322 V CB 1.992 33.976 31.823 0.268 0.000 0.991 1322 V HN 0.737 nan 8.190 nan 0.000 0.427 1323 V N 6.031 125.994 119.914 0.081 0.000 2.384 1323 V HA 0.476 4.596 4.120 0.000 0.000 0.287 1323 V C -0.074 175.947 176.094 -0.121 0.000 1.020 1323 V CA -0.374 61.926 62.300 -0.001 0.000 0.850 1323 V CB 1.564 33.142 31.823 -0.409 0.000 0.987 1323 V HN 0.910 nan 8.190 nan 0.000 0.436 1324 M N 6.210 125.757 119.600 -0.087 0.000 2.101 1324 M HA 0.443 4.924 4.480 0.000 0.000 0.340 1324 M C -0.039 176.169 176.300 -0.153 0.000 1.057 1324 M CA -0.480 54.578 55.300 -0.403 0.000 0.984 1324 M CB 1.150 33.617 32.600 -0.221 0.000 1.560 1324 M HN 0.499 nan 8.290 nan 0.000 0.435 1325 M N 3.461 122.940 119.600 -0.202 0.000 2.631 1325 M HA 0.208 4.688 4.480 0.000 0.000 0.241 1325 M C -0.081 176.185 176.300 -0.057 0.000 1.255 1325 M CA 0.275 55.537 55.300 -0.063 0.000 0.983 1325 M CB -0.914 31.600 32.600 -0.143 0.000 1.580 1325 M HN 0.735 nan 8.290 nan 0.000 0.464 1326 T N -0.043 114.496 114.554 -0.025 0.000 2.853 1326 T HA 0.383 4.734 4.350 0.000 0.000 0.311 1326 T C -0.765 173.967 174.700 0.054 0.000 1.307 1326 T CA -0.678 61.424 62.100 0.004 0.000 1.019 1326 T CB 2.173 71.039 68.868 -0.002 0.000 1.264 1326 T HN 0.169 nan 8.240 nan 0.000 0.497 1327 K N 2.270 122.705 120.400 0.059 0.000 2.126 1327 K HA 0.432 4.752 4.320 0.000 0.000 0.257 1327 K C 1.318 177.985 176.600 0.111 0.000 1.007 1327 K CA -0.574 55.763 56.287 0.084 0.000 0.928 1327 K CB 0.892 33.426 32.500 0.057 0.000 1.013 1327 K HN 0.435 nan 8.250 nan 0.000 0.473 1328 L N 0.394 121.699 121.223 0.137 0.000 2.042 1328 L HA -0.147 4.193 4.340 0.000 0.000 0.210 1328 L C 1.015 177.931 176.870 0.076 0.000 1.076 1328 L CA 1.444 56.355 54.840 0.119 0.000 0.749 1328 L CB -0.097 42.014 42.059 0.087 0.000 0.893 1328 L HN 0.675 nan 8.230 nan 0.000 0.432 1329 E N -0.107 120.130 120.200 0.061 0.000 2.272 1329 E HA 0.363 4.713 4.350 0.000 0.000 0.269 1329 E C -1.177 175.449 176.600 0.043 0.000 0.877 1329 E CA -0.428 55.999 56.400 0.045 0.000 0.755 1329 E CB 1.554 31.272 29.700 0.031 0.000 1.192 1329 E HN 0.081 nan 8.360 nan 0.000 0.422 1330 E N 2.904 123.130 120.200 0.042 0.000 2.275 1330 E HA 0.323 4.673 4.350 0.000 0.000 0.270 1330 E C -0.876 175.747 176.600 0.039 0.000 0.882 1330 E CA -0.947 55.479 56.400 0.044 0.000 0.758 1330 E CB 1.710 31.443 29.700 0.055 0.000 1.195 1330 E HN 0.401 nan 8.360 nan 0.000 0.419 1331 R N 1.941 122.462 120.500 0.034 0.000 3.267 1331 R HA -0.204 4.136 4.340 0.000 0.000 0.254 1331 R C -0.539 175.773 176.300 0.019 0.000 0.993 1331 R CA 0.882 56.998 56.100 0.027 0.000 0.670 1331 R CB -2.125 28.195 30.300 0.034 0.000 1.125 1331 R HN 0.895 nan 8.270 nan 0.000 0.434 1332 S N -1.851 113.859 115.700 0.017 0.000 3.225 1332 S HA -0.257 4.213 4.470 0.000 0.000 0.308 1332 S C 0.420 175.029 174.600 0.015 0.000 1.270 1332 S CA 1.683 59.891 58.200 0.013 0.000 1.011 1332 S CB -0.570 62.635 63.200 0.007 0.000 1.138 1332 S HN 0.535 nan 8.310 nan 0.000 0.661 1333 R N 0.989 121.502 120.500 0.022 0.000 2.387 1333 R HA 0.477 4.817 4.340 0.000 0.000 0.314 1333 R C -0.472 175.847 176.300 0.031 0.000 0.958 1333 R CA -0.404 55.711 56.100 0.026 0.000 0.846 1333 R CB 1.377 31.696 30.300 0.031 0.000 1.147 1333 R HN 0.122 nan 8.270 nan 0.000 0.447 1334 V N 6.150 126.081 119.914 0.028 0.000 2.455 1334 V HA 0.068 4.188 4.120 0.000 0.000 0.273 1334 V C 1.264 177.385 176.094 0.045 0.000 1.045 1334 V CA 0.168 62.487 62.300 0.032 0.000 0.976 1334 V CB 1.261 33.095 31.823 0.019 0.000 0.993 1334 V HN 0.651 nan 8.190 nan 0.000 0.475 1335 K N 3.175 123.611 120.400 0.060 0.000 2.202 1335 K HA 0.188 4.508 4.320 0.000 0.000 0.201 1335 K C 0.509 177.165 176.600 0.093 0.000 1.051 1335 K CA 0.913 57.247 56.287 0.077 0.000 0.977 1335 K CB 0.318 32.860 32.500 0.070 0.000 0.792 1335 K HN 0.882 nan 8.250 nan 0.000 0.469 1336 C N -1.101 118.258 119.300 0.099 0.000 3.293 1336 C HA 0.538 4.998 4.460 0.000 0.000 0.362 1336 C C -1.576 173.481 174.990 0.111 0.000 1.539 1336 C CA -1.252 57.833 59.018 0.111 0.000 1.201 1336 C CB 1.245 29.086 27.740 0.169 0.000 1.770 1336 C HN 0.157 nan 8.230 nan 0.000 0.440 1337 D N 0.739 121.226 120.400 0.146 0.000 2.198 1337 D HA 0.316 4.956 4.640 0.000 0.000 0.247 1337 D C -0.992 175.371 176.300 0.105 0.000 1.010 1337 D CA 0.056 54.154 54.000 0.164 0.000 0.880 1337 D CB 1.787 42.755 40.800 0.281 0.000 1.209 1337 D HN 0.701 nan 8.370 nan 0.000 0.451 1338 Q N 1.703 121.411 119.800 -0.153 0.000 2.323 1338 Q HA 0.051 4.391 4.340 0.000 0.000 0.257 1338 Q C -0.287 175.191 176.000 -0.870 0.000 1.022 1338 Q CA -0.302 55.068 55.803 -0.722 0.000 0.919 1338 Q CB 0.278 28.472 28.738 -0.907 0.000 1.220 1338 Q HN 0.586 nan 8.270 nan 0.000 0.427 1339 Y N 2.397 122.235 120.300 -0.770 0.000 2.458 1339 Y HA 0.298 4.848 4.550 0.000 0.000 0.256 1339 Y C -0.676 175.052 175.900 -0.287 0.000 1.159 1339 Y CA -1.261 56.115 58.100 -1.207 0.000 1.261 1339 Y CB -0.155 37.745 38.460 -0.932 0.000 1.119 1339 Y HN 0.477 nan 8.280 nan 0.000 0.524 1340 W N 1.167 122.233 121.300 -0.391 0.000 2.781 1340 W HA 0.796 5.456 4.660 0.000 0.000 0.345 1340 W C -3.102 173.426 176.519 0.015 0.000 1.085 1340 W CA -3.442 53.855 57.345 -0.081 0.000 1.198 1340 W CB 0.773 30.153 29.460 -0.134 0.000 1.423 1340 W HN -0.330 nan 8.180 nan 0.000 0.532 1341 P HA 0.043 nan 4.420 nan 0.000 0.271 1341 P C 0.402 177.823 177.300 0.201 0.000 1.220 1341 P CA 0.179 63.357 63.100 0.130 0.000 0.768 1341 P CB 1.806 33.603 31.700 0.161 0.000 0.848 1342 S N 2.109 117.825 115.700 0.027 0.000 2.423 1342 S HA -0.066 4.404 4.470 0.000 0.000 0.231 1342 S C 0.984 175.652 174.600 0.112 0.000 1.014 1342 S CA 0.887 59.134 58.200 0.078 0.000 0.965 1342 S CB -0.195 62.998 63.200 -0.012 0.000 0.785 1342 S HN 0.516 nan 8.310 nan 0.000 0.495 1343 R N -1.249 119.302 120.500 0.085 0.000 2.561 1343 R HA 0.478 4.818 4.340 0.000 0.000 0.266 1343 R C 0.149 176.487 176.300 0.063 0.000 1.091 1343 R CA 0.349 56.490 56.100 0.069 0.000 0.927 1343 R CB 0.908 31.231 30.300 0.038 0.000 1.240 1343 R HN 0.248 nan 8.270 nan 0.000 0.449 1344 G N 1.288 110.125 108.800 0.062 0.000 2.528 1344 G HA2 -0.266 3.694 3.960 0.000 0.000 0.262 1344 G HA3 -0.266 3.694 3.960 0.000 0.000 0.262 1344 G C -0.922 174.016 174.900 0.062 0.000 1.200 1344 G CA 0.087 45.216 45.100 0.047 0.000 0.951 1344 G HN 0.651 nan 8.290 nan 0.000 0.566 1345 T N 1.581 116.152 114.554 0.028 0.000 2.841 1345 T HA 0.658 5.008 4.350 0.000 0.000 0.283 1345 T C -0.540 174.135 174.700 -0.041 0.000 1.000 1345 T CA -0.301 61.804 62.100 0.008 0.000 0.977 1345 T CB 1.903 70.769 68.868 -0.003 0.000 0.979 1345 T HN 0.627 nan 8.240 nan 0.000 0.446 1346 E N 1.130 121.275 120.200 -0.092 0.000 2.293 1346 E HA 0.466 4.816 4.350 0.000 0.000 0.270 1346 E C -0.909 175.509 176.600 -0.304 0.000 0.879 1346 E CA -0.872 55.406 56.400 -0.204 0.000 0.756 1346 E CB 1.950 31.500 29.700 -0.249 0.000 1.208 1346 E HN 0.403 nan 8.360 nan 0.000 0.428 1347 T N 2.235 116.605 114.554 -0.306 0.000 2.806 1347 T HA 0.290 4.640 4.350 0.000 0.000 0.290 1347 T C -0.670 173.804 174.700 -0.377 0.000 0.966 1347 T CA -0.525 61.423 62.100 -0.252 0.000 1.060 1347 T CB 0.294 69.086 68.868 -0.127 0.000 0.927 1347 T HN 0.285 nan 8.240 nan 0.000 0.485 1348 H N 2.063 121.161 119.070 0.047 0.000 2.762 1348 H HA 0.430 4.986 4.556 0.000 0.000 0.310 1348 H C 1.075 176.491 175.328 0.147 0.000 1.004 1348 H CA 0.212 56.361 56.048 0.168 0.000 1.267 1348 H CB 1.084 31.047 29.762 0.335 0.000 1.437 1348 H HN 0.956 nan 8.280 nan 0.000 0.498 1349 G N 2.358 111.279 108.800 0.202 0.000 2.602 1349 G HA2 -0.355 3.605 3.960 0.000 0.000 0.310 1349 G HA3 -0.355 3.605 3.960 0.000 0.000 0.310 1349 G C 0.604 175.541 174.900 0.062 0.000 1.183 1349 G CA 0.375 45.552 45.100 0.128 0.000 0.979 1349 G HN 0.457 nan 8.290 nan 0.000 0.545 1350 L N 0.926 122.174 121.223 0.041 0.000 2.607 1350 L HA 0.465 4.805 4.340 0.000 0.000 0.228 1350 L C 1.054 177.876 176.870 -0.080 0.000 1.123 1350 L CA 0.362 55.183 54.840 -0.032 0.000 0.890 1350 L CB 0.503 42.526 42.059 -0.060 0.000 1.103 1350 L HN 0.335 nan 8.230 nan 0.000 0.468 1351 V N 0.201 120.105 119.914 -0.017 0.000 2.448 1351 V HA 0.327 4.447 4.120 0.000 0.000 0.295 1351 V C 0.148 176.215 176.094 -0.045 0.000 1.025 1351 V CA -0.817 61.454 62.300 -0.049 0.000 0.859 1351 V CB 1.884 33.744 31.823 0.063 0.000 0.988 1351 V HN 0.186 nan 8.190 nan 0.000 0.431 1352 Q N 3.719 123.491 119.800 -0.047 0.000 2.279 1352 Q HA 0.564 4.904 4.340 0.000 0.000 0.256 1352 Q C -1.462 174.505 176.000 -0.055 0.000 0.937 1352 Q CA -0.321 55.456 55.803 -0.043 0.000 0.933 1352 Q CB 1.683 30.426 28.738 0.009 0.000 1.189 1352 Q HN 0.596 nan 8.270 nan 0.000 0.417 1353 V N 4.020 123.835 119.914 -0.164 0.000 2.409 1353 V HA 0.370 4.490 4.120 0.000 0.000 0.291 1353 V C -0.439 175.636 176.094 -0.032 0.000 1.020 1353 V CA -0.603 61.544 62.300 -0.255 0.000 0.848 1353 V CB 1.868 33.247 31.823 -0.740 0.000 0.990 1353 V HN 0.826 nan 8.190 nan 0.000 0.430 1354 T N 5.902 120.524 114.554 0.114 0.000 2.792 1354 T HA 0.455 4.805 4.350 0.000 0.000 0.280 1354 T C -0.431 174.438 174.700 0.281 0.000 0.990 1354 T CA -0.343 61.861 62.100 0.173 0.000 0.960 1354 T CB 1.364 70.324 68.868 0.153 0.000 0.939 1354 T HN 0.431 nan 8.240 nan 0.000 0.439 1355 L N 5.145 126.521 121.223 0.256 0.000 2.433 1355 L HA 0.289 4.629 4.340 0.000 0.000 0.275 1355 L C 0.672 177.529 176.870 -0.022 0.000 1.128 1355 L CA 0.289 55.185 54.840 0.093 0.000 0.875 1355 L CB -0.252 41.890 42.059 0.138 0.000 1.171 1355 L HN 0.728 nan 8.230 nan 0.000 0.463 1356 L N 2.832 123.982 121.223 -0.121 0.000 2.202 1356 L HA 0.305 4.645 4.340 0.000 0.000 0.205 1356 L C 0.068 176.880 176.870 -0.097 0.000 1.083 1356 L CA 0.345 55.140 54.840 -0.075 0.000 0.790 1356 L CB -0.004 42.021 42.059 -0.057 0.000 0.942 1356 L HN 0.684 nan 8.230 nan 0.000 0.452 1357 D N -2.019 118.279 120.400 -0.170 0.000 2.706 1357 D HA 0.307 4.947 4.640 0.000 0.000 0.227 1357 D C -1.301 174.883 176.300 -0.192 0.000 1.233 1357 D CA -0.189 53.726 54.000 -0.141 0.000 0.768 1357 D CB 1.913 42.643 40.800 -0.117 0.000 1.490 1357 D HN -0.241 nan 8.370 nan 0.000 0.458 1358 T N 1.143 115.618 114.554 -0.131 0.000 2.916 1358 T HA 0.591 4.941 4.350 0.000 0.000 0.298 1358 T C -1.157 173.487 174.700 -0.093 0.000 1.031 1358 T CA -0.563 61.462 62.100 -0.126 0.000 0.993 1358 T CB 1.625 70.449 68.868 -0.074 0.000 1.045 1358 T HN 0.193 nan 8.240 nan 0.000 0.454 1359 V N 3.414 123.268 119.914 -0.100 0.000 2.443 1359 V HA 0.359 4.479 4.120 0.000 0.000 0.293 1359 V C -0.342 175.693 176.094 -0.099 0.000 1.021 1359 V CA -0.912 61.337 62.300 -0.085 0.000 0.848 1359 V CB 1.615 33.393 31.823 -0.075 0.000 0.998 1359 V HN 0.879 nan 8.190 nan 0.000 0.424 1360 E N 5.814 125.961 120.200 -0.089 0.000 2.174 1360 E HA 0.659 5.009 4.350 0.000 0.000 0.282 1360 E C -1.046 175.465 176.600 -0.148 0.000 0.992 1360 E CA -0.509 55.830 56.400 -0.102 0.000 0.803 1360 E CB 2.056 31.722 29.700 -0.058 0.000 1.090 1360 E HN 0.440 nan 8.360 nan 0.000 0.396 1361 L N 0.931 122.006 121.223 -0.246 0.000 2.299 1361 L HA 0.463 4.804 4.340 0.000 0.000 0.268 1361 L C 1.422 178.185 176.870 -0.178 0.000 1.012 1361 L CA -0.582 54.096 54.840 -0.270 0.000 0.816 1361 L CB 0.704 42.441 42.059 -0.536 0.000 1.355 1361 L HN 0.643 nan 8.230 nan 0.000 0.457 1362 A N -0.303 122.450 122.820 -0.113 0.000 1.883 1362 A HA -0.153 4.167 4.320 0.000 0.000 0.217 1362 A C 1.773 179.333 177.584 -0.040 0.000 1.186 1362 A CA 2.460 54.468 52.037 -0.048 0.000 0.624 1362 A CB -0.942 18.055 19.000 -0.005 0.000 0.822 1362 A HN 0.856 nan 8.150 nan 0.000 0.444 1363 T N -4.630 109.927 114.554 0.005 0.000 3.044 1363 T HA 0.458 4.808 4.350 0.000 0.000 0.260 1363 T C 0.071 174.816 174.700 0.074 0.000 1.019 1363 T CA 0.318 62.428 62.100 0.016 0.000 0.921 1363 T CB -0.199 68.781 68.868 0.187 0.000 1.053 1363 T HN 0.829 nan 8.240 nan 0.000 0.533 1364 Y N -1.375 118.947 120.300 0.036 0.000 2.656 1364 Y HA 0.722 5.272 4.550 0.000 0.000 0.334 1364 Y C -1.578 174.388 175.900 0.111 0.000 1.179 1364 Y CA -2.345 55.820 58.100 0.108 0.000 1.050 1364 Y CB 0.640 39.349 38.460 0.416 0.000 1.308 1364 Y HN 0.012 nan 8.280 nan 0.000 0.456 1365 C N 1.531 120.988 119.300 0.262 0.000 2.634 1365 C HA 0.850 5.310 4.460 0.000 0.000 0.313 1365 C C -0.696 174.375 174.990 0.134 0.000 1.198 1365 C CA -0.832 58.240 59.018 0.090 0.000 1.605 1365 C CB 1.539 29.292 27.740 0.021 0.000 2.196 1365 C HN 0.678 nan 8.230 nan 0.000 0.486 1366 V N 3.483 123.377 119.914 -0.033 0.000 2.444 1366 V HA 0.555 4.675 4.120 0.000 0.000 0.294 1366 V C -0.198 175.731 176.094 -0.274 0.000 1.022 1366 V CA -0.526 61.627 62.300 -0.245 0.000 0.850 1366 V CB 1.297 32.929 31.823 -0.319 0.000 0.992 1366 V HN 0.846 nan 8.190 nan 0.000 0.426 1367 R N 2.297 122.594 120.500 -0.339 0.000 2.637 1367 R HA 0.752 5.092 4.340 0.000 0.000 0.291 1367 R C -0.744 175.228 176.300 -0.547 0.000 0.963 1367 R CA -0.613 55.208 56.100 -0.465 0.000 0.901 1367 R CB 2.250 32.211 30.300 -0.565 0.000 1.160 1367 R HN 0.655 nan 8.270 nan 0.000 0.457 1368 T N 3.043 117.233 114.554 -0.606 0.000 2.797 1368 T HA 0.539 4.889 4.350 0.000 0.000 0.279 1368 T C -0.881 173.493 174.700 -0.543 0.000 0.991 1368 T CA -0.413 61.451 62.100 -0.393 0.000 0.979 1368 T CB 0.553 69.308 68.868 -0.188 0.000 0.943 1368 T HN 0.237 nan 8.240 nan 0.000 0.444 1369 F N 1.136 121.121 119.950 0.059 0.000 2.546 1369 F HA 0.717 5.244 4.527 0.000 0.000 0.320 1369 F C 0.333 176.158 175.800 0.042 0.000 1.076 1369 F CA -1.253 56.781 58.000 0.057 0.000 0.928 1369 F CB 1.510 40.555 39.000 0.076 0.000 1.189 1369 F HN 0.608 nan 8.300 nan 0.000 0.465 1370 A N 2.896 125.848 122.820 0.220 0.000 2.305 1370 A HA 0.817 5.137 4.320 0.000 0.000 0.322 1370 A C -1.380 176.273 177.584 0.115 0.000 1.187 1370 A CA -0.480 51.632 52.037 0.125 0.000 0.825 1370 A CB 0.640 19.725 19.000 0.140 0.000 1.164 1370 A HN 0.577 nan 8.150 nan 0.000 0.498 1371 L N 1.867 123.113 121.223 0.038 0.000 2.346 1371 L HA 0.626 4.966 4.340 0.000 0.000 0.274 1371 L C -1.046 175.841 176.870 0.027 0.000 1.007 1371 L CA -0.478 54.440 54.840 0.131 0.000 0.818 1371 L CB 1.201 43.465 42.059 0.341 0.000 1.284 1371 L HN 0.665 nan 8.230 nan 0.000 0.424 1372 Y N 1.140 121.528 120.300 0.147 0.000 2.457 1372 Y HA 0.501 5.051 4.550 0.000 0.000 0.343 1372 Y C -0.107 175.597 175.900 -0.327 0.000 0.994 1372 Y CA -0.800 57.310 58.100 0.017 0.000 1.031 1372 Y CB 2.302 40.768 38.460 0.010 0.000 1.246 1372 Y HN 0.417 nan 8.280 nan 0.000 0.449 1373 K N 2.042 122.091 120.400 -0.585 0.000 2.138 1373 K HA 0.372 4.692 4.320 0.000 0.000 0.263 1373 K C -0.705 175.719 176.600 -0.294 0.000 0.965 1373 K CA -0.769 55.104 56.287 -0.690 0.000 0.868 1373 K CB 0.637 32.306 32.500 -1.385 0.000 1.083 1373 K HN 0.610 nan 8.250 nan 0.000 0.443 1374 N N 1.764 120.341 118.700 -0.205 0.000 2.411 1374 N HA 0.050 4.790 4.740 0.000 0.000 0.261 1374 N C 0.630 176.089 175.510 -0.087 0.000 1.248 1374 N CA 1.458 54.443 53.050 -0.109 0.000 0.885 1374 N CB 0.794 39.233 38.487 -0.080 0.000 1.062 1374 N HN 0.890 nan 8.380 nan 0.000 0.471 1375 G N 0.183 108.954 108.800 -0.047 0.000 2.157 1375 G HA2 -0.226 3.734 3.960 0.000 0.000 0.239 1375 G HA3 -0.226 3.734 3.960 0.000 0.000 0.239 1375 G C 0.059 174.961 174.900 0.004 0.000 0.982 1375 G CA 0.344 45.431 45.100 -0.021 0.000 0.650 1375 G HN 0.812 nan 8.290 nan 0.000 0.527 1376 S N -0.781 114.928 115.700 0.015 0.000 2.541 1376 S HA 0.686 5.156 4.470 0.000 0.000 0.280 1376 S C 1.020 175.705 174.600 0.141 0.000 1.112 1376 S CA 0.780 59.027 58.200 0.079 0.000 0.925 1376 S CB 1.642 64.908 63.200 0.111 0.000 1.067 1376 S HN 1.328 nan 8.310 nan 0.000 0.479 1377 S N 1.973 117.771 115.700 0.163 0.000 2.605 1377 S HA 0.196 4.666 4.470 0.000 0.000 0.217 1377 S C 0.412 175.192 174.600 0.299 0.000 0.958 1377 S CA -0.283 58.051 58.200 0.223 0.000 0.919 1377 S CB -0.326 62.958 63.200 0.140 0.000 0.780 1377 S HN 0.796 nan 8.310 nan 0.000 0.507 1378 E N 2.238 122.609 120.200 0.286 0.000 2.414 1378 E HA 0.085 4.435 4.350 0.000 0.000 0.263 1378 E C -0.301 176.441 176.600 0.235 0.000 1.000 1378 E CA -0.026 56.532 56.400 0.263 0.000 0.914 1378 E CB 0.472 30.363 29.700 0.318 0.000 0.948 1378 E HN 0.347 nan 8.360 nan 0.000 0.444 1379 K N 4.000 124.403 120.400 0.005 0.000 2.164 1379 K HA 0.366 4.686 4.320 0.000 0.000 0.258 1379 K C -0.723 175.750 176.600 -0.211 0.000 0.951 1379 K CA -0.649 55.456 56.287 -0.303 0.000 0.844 1379 K CB 0.978 33.247 32.500 -0.386 0.000 1.099 1379 K HN 0.479 nan 8.250 nan 0.000 0.435 1380 R N 2.125 122.490 120.500 -0.226 0.000 2.686 1380 R HA 0.208 4.548 4.340 0.000 0.000 0.286 1380 R C -1.077 175.173 176.300 -0.084 0.000 0.969 1380 R CA -0.860 55.103 56.100 -0.228 0.000 0.898 1380 R CB 2.127 32.142 30.300 -0.474 0.000 1.183 1380 R HN 0.704 nan 8.270 nan 0.000 0.456 1381 E N 2.306 122.482 120.200 -0.039 0.000 2.199 1381 E HA 0.467 4.817 4.350 0.000 0.000 0.269 1381 E C -1.426 175.233 176.600 0.099 0.000 0.899 1381 E CA -0.744 55.683 56.400 0.044 0.000 0.772 1381 E CB 1.962 31.678 29.700 0.027 0.000 1.155 1381 E HN 0.204 nan 8.360 nan 0.000 0.408 1382 V N 4.096 124.134 119.914 0.207 0.000 2.789 1382 V HA 0.502 4.622 4.120 0.000 0.000 0.311 1382 V C -0.517 175.754 176.094 0.296 0.000 1.073 1382 V CA -0.925 61.533 62.300 0.263 0.000 0.921 1382 V CB 1.899 33.948 31.823 0.377 0.000 1.009 1382 V HN 0.759 nan 8.190 nan 0.000 0.426 1383 R N 3.250 123.894 120.500 0.239 0.000 2.514 1383 R HA 0.655 4.995 4.340 0.000 0.000 0.301 1383 R C -0.817 175.614 176.300 0.218 0.000 0.962 1383 R CA -0.757 55.439 56.100 0.160 0.000 0.882 1383 R CB 2.192 32.477 30.300 -0.025 0.000 1.143 1383 R HN 0.711 nan 8.270 nan 0.000 0.452 1384 Q N 3.194 123.069 119.800 0.125 0.000 2.290 1384 Q HA 0.273 4.613 4.340 0.000 0.000 0.259 1384 Q C -1.578 174.370 176.000 -0.086 0.000 0.941 1384 Q CA -0.584 55.318 55.803 0.164 0.000 0.912 1384 Q CB 0.984 29.871 28.738 0.249 0.000 1.244 1384 Q HN 0.620 nan 8.270 nan 0.000 0.441 1385 F N 2.958 123.002 119.950 0.156 0.000 2.332 1385 F HA 0.246 4.773 4.527 0.000 0.000 0.368 1385 F C 0.281 176.304 175.800 0.372 0.000 1.110 1385 F CA -0.551 57.609 58.000 0.266 0.000 1.087 1385 F CB 1.536 40.603 39.000 0.112 0.000 1.235 1385 F HN 0.435 nan 8.300 nan 0.000 0.470 1386 Q N 4.813 124.858 119.800 0.407 0.000 2.368 1386 Q HA 0.262 4.602 4.340 0.000 0.000 0.256 1386 Q C -1.273 174.860 176.000 0.221 0.000 0.980 1386 Q CA -0.772 55.172 55.803 0.235 0.000 0.887 1386 Q CB 0.834 29.603 28.738 0.052 0.000 1.221 1386 Q HN 0.577 nan 8.270 nan 0.000 0.458 1387 F N 3.626 123.440 119.950 -0.227 0.000 2.438 1387 F HA 0.166 4.693 4.527 0.000 0.000 0.356 1387 F C 0.859 176.589 175.800 -0.117 0.000 1.099 1387 F CA 0.287 57.974 58.000 -0.521 0.000 1.185 1387 F CB 1.281 39.698 39.000 -0.973 0.000 1.115 1387 F HN 0.603 nan 8.300 nan 0.000 0.526 1388 T N 1.558 115.803 114.554 -0.515 0.000 3.044 1388 T HA 0.354 4.704 4.350 0.000 0.000 0.260 1388 T C 0.933 175.376 174.700 -0.429 0.000 1.019 1388 T CA 0.406 62.316 62.100 -0.317 0.000 0.921 1388 T CB 0.137 68.923 68.868 -0.137 0.000 1.053 1388 T HN 0.551 nan 8.240 nan 0.000 0.533 1389 A N 0.394 122.651 122.820 -0.937 0.000 2.460 1389 A HA 0.339 4.659 4.320 0.000 0.000 0.258 1389 A C 0.295 177.717 177.584 -0.271 0.000 1.300 1389 A CA -0.797 50.885 52.037 -0.591 0.000 0.913 1389 A CB -0.482 18.206 19.000 -0.520 0.000 1.031 1389 A HN 0.679 nan 8.150 nan 0.000 0.512 1390 W N 2.861 124.007 121.300 -0.257 0.000 2.238 1390 W HA 0.293 4.953 4.660 0.000 0.000 0.321 1390 W C -2.494 173.975 176.519 -0.082 0.000 1.293 1390 W CA -1.896 55.447 57.345 -0.005 0.000 1.204 1390 W CB 0.988 30.488 29.460 0.067 0.000 1.167 1390 W HN 0.151 nan 8.180 nan 0.000 0.553 1391 P HA -0.015 nan 4.420 nan 0.000 0.272 1391 P C 0.298 177.676 177.300 0.130 0.000 1.230 1391 P CA 0.223 63.311 63.100 -0.021 0.000 0.788 1391 P CB 1.140 32.719 31.700 -0.201 0.000 0.949 1392 D N -0.821 119.644 120.400 0.109 0.000 2.263 1392 D HA -0.105 4.535 4.640 0.000 0.000 0.208 1392 D C 0.934 177.351 176.300 0.195 0.000 0.971 1392 D CA 1.739 55.824 54.000 0.141 0.000 0.867 1392 D CB -0.194 40.677 40.800 0.118 0.000 0.929 1392 D HN 0.605 nan 8.370 nan 0.000 0.492 1393 H N -2.027 117.067 119.070 0.039 0.000 2.930 1393 H HA 0.482 5.038 4.556 0.000 0.000 0.371 1393 H C 0.684 176.017 175.328 0.007 0.000 1.169 1393 H CA -0.130 55.935 56.048 0.027 0.000 1.157 1393 H CB 1.085 30.848 29.762 0.002 0.000 1.789 1393 H HN 0.103 nan 8.280 nan 0.000 0.547 1394 G N 1.005 109.722 108.800 -0.140 0.000 2.601 1394 G HA2 -0.165 3.795 3.960 0.000 0.000 0.261 1394 G HA3 -0.165 3.795 3.960 0.000 0.000 0.261 1394 G C -0.137 174.656 174.900 -0.180 0.000 1.289 1394 G CA 0.847 45.828 45.100 -0.198 0.000 0.920 1394 G HN 1.446 nan 8.290 nan 0.000 0.571 1395 V N -2.603 117.099 119.914 -0.354 0.000 2.975 1395 V HA 0.822 4.942 4.120 0.000 0.000 0.318 1395 V C -2.187 173.380 176.094 -0.878 0.000 1.077 1395 V CA -1.929 59.940 62.300 -0.718 0.000 1.000 1395 V CB 1.620 33.067 31.823 -0.628 0.000 1.066 1395 V HN 0.774 nan 8.190 nan 0.000 0.452 1396 P HA 0.121 nan 4.420 nan 0.000 0.265 1396 P C 0.703 177.760 177.300 -0.404 0.000 1.193 1396 P CA 0.261 62.913 63.100 -0.747 0.000 0.765 1396 P CB 0.548 31.838 31.700 -0.684 0.000 0.823 1397 E N 2.166 122.160 120.200 -0.343 0.000 2.085 1397 E HA -0.210 4.140 4.350 0.000 0.000 0.194 1397 E C -0.271 176.032 176.600 -0.495 0.000 0.994 1397 E CA 1.267 57.410 56.400 -0.428 0.000 0.801 1397 E CB 0.031 29.427 29.700 -0.507 0.000 0.743 1397 E HN 0.618 nan 8.360 nan 0.000 0.453 1398 H N -1.933 117.157 119.070 0.033 0.000 2.637 1398 H HA 0.200 4.756 4.556 0.000 0.000 0.363 1398 H C -2.068 173.368 175.328 0.181 0.000 1.131 1398 H CA -2.212 53.889 56.048 0.088 0.000 1.183 1398 H CB 1.916 31.715 29.762 0.061 0.000 1.637 1398 H HN -0.037 nan 8.280 nan 0.000 0.531 1399 P HA -0.047 nan 4.420 nan 0.000 0.241 1399 P C 0.931 178.384 177.300 0.256 0.000 1.191 1399 P CA 0.628 63.874 63.100 0.245 0.000 0.771 1399 P CB 0.314 31.978 31.700 -0.060 0.000 0.929 1400 T N 0.655 115.340 114.554 0.219 0.000 2.622 1400 T HA -0.098 4.252 4.350 0.000 0.000 0.266 1400 T C -0.595 174.236 174.700 0.217 0.000 1.047 1400 T CA 2.109 64.309 62.100 0.167 0.000 1.159 1400 T CB -2.000 66.937 68.868 0.114 0.000 0.863 1400 T HN 0.242 nan 8.240 nan 0.000 0.422 1401 P HA -0.020 nan 4.420 nan 0.000 0.217 1401 P C 1.297 178.870 177.300 0.455 0.000 1.150 1401 P CA 0.642 63.969 63.100 0.380 0.000 0.832 1401 P CB -0.180 31.768 31.700 0.414 0.000 0.787 1402 F N 0.502 120.620 119.950 0.280 0.000 2.095 1402 F HA -0.185 4.342 4.527 0.000 0.000 0.298 1402 F C 1.937 177.763 175.800 0.044 0.000 1.104 1402 F CA 1.542 59.511 58.000 -0.051 0.000 1.232 1402 F CB -1.017 37.989 39.000 0.010 0.000 0.987 1402 F HN -0.266 nan 8.300 nan 0.000 0.475 1403 L N -0.045 121.182 121.223 0.007 0.000 2.083 1403 L HA -0.204 4.136 4.340 0.000 0.000 0.209 1403 L C 2.777 179.555 176.870 -0.153 0.000 1.083 1403 L CA 1.156 55.920 54.840 -0.126 0.000 0.752 1403 L CB -1.160 40.901 42.059 0.004 0.000 0.899 1403 L HN 0.276 nan 8.230 nan 0.000 0.433 1404 A N -0.286 122.522 122.820 -0.021 0.000 1.930 1404 A HA -0.250 4.070 4.320 0.000 0.000 0.217 1404 A C 2.151 179.701 177.584 -0.057 0.000 1.175 1404 A CA 1.409 53.453 52.037 0.011 0.000 0.627 1404 A CB -0.723 18.357 19.000 0.133 0.000 0.815 1404 A HN 0.434 nan 8.150 nan 0.000 0.443 1405 F N 0.345 120.142 119.950 -0.255 0.000 2.113 1405 F HA -0.105 4.423 4.527 0.000 0.000 0.297 1405 F C 1.783 177.299 175.800 -0.473 0.000 1.103 1405 F CA 1.673 59.422 58.000 -0.419 0.000 1.248 1405 F CB -0.396 38.406 39.000 -0.330 0.000 0.999 1405 F HN 0.194 nan 8.300 nan 0.000 0.475 1406 L N 1.086 121.913 121.223 -0.661 0.000 2.042 1406 L HA -0.148 4.192 4.340 0.000 0.000 0.210 1406 L C 2.526 179.091 176.870 -0.508 0.000 1.076 1406 L CA 1.771 56.191 54.840 -0.701 0.000 0.749 1406 L CB -0.901 40.672 42.059 -0.810 0.000 0.893 1406 L HN 0.099 nan 8.230 nan 0.000 0.432 1407 R N -0.870 119.411 120.500 -0.365 0.000 2.083 1407 R HA -0.238 4.102 4.340 0.000 0.000 0.237 1407 R C 2.460 178.600 176.300 -0.266 0.000 1.137 1407 R CA 1.776 57.724 56.100 -0.253 0.000 0.951 1407 R CB -0.361 29.847 30.300 -0.154 0.000 0.851 1407 R HN 0.263 nan 8.270 nan 0.000 0.434 1408 R N 0.499 120.819 120.500 -0.300 0.000 2.091 1408 R HA -0.118 4.222 4.340 0.000 0.000 0.238 1408 R C 1.977 177.986 176.300 -0.487 0.000 1.136 1408 R CA 1.585 57.519 56.100 -0.276 0.000 0.959 1408 R CB -0.687 29.477 30.300 -0.227 0.000 0.856 1408 R HN 0.056 nan 8.270 nan 0.000 0.437 1409 V N 1.212 120.644 119.914 -0.804 0.000 2.295 1409 V HA -0.248 3.872 4.120 0.000 0.000 0.246 1409 V C 2.205 177.956 176.094 -0.572 0.000 1.049 1409 V CA 1.919 63.578 62.300 -1.067 0.000 1.024 1409 V CB -0.464 30.793 31.823 -0.944 0.000 0.648 1409 V HN 0.261 nan 8.190 nan 0.000 0.447 1410 K N 0.643 120.821 120.400 -0.371 0.000 2.057 1410 K HA -0.158 4.162 4.320 0.000 0.000 0.207 1410 K C 2.359 178.855 176.600 -0.173 0.000 1.049 1410 K CA 2.007 58.161 56.287 -0.223 0.000 0.931 1410 K CB -1.203 31.182 32.500 -0.192 0.000 0.714 1410 K HN 0.720 nan 8.250 nan 0.000 0.440 1411 T N -1.790 112.662 114.554 -0.170 0.000 2.915 1411 T HA -0.112 4.239 4.350 0.000 0.000 0.269 1411 T C 2.281 176.939 174.700 -0.070 0.000 1.071 1411 T CA 1.236 63.278 62.100 -0.096 0.000 1.132 1411 T CB -0.480 68.349 68.868 -0.064 0.000 0.878 1411 T HN 0.133 nan 8.240 nan 0.000 0.479 1412 C N 1.252 120.490 119.300 -0.104 0.000 2.634 1412 C HA 0.372 4.832 4.460 0.000 0.000 0.268 1412 C C 1.189 176.173 174.990 -0.010 0.000 1.322 1412 C CA -0.754 58.260 59.018 -0.008 0.000 1.737 1412 C CB -1.612 26.209 27.740 0.135 0.000 1.976 1412 C HN 0.664 nan 8.230 nan 0.000 0.547 1413 N N 1.614 120.264 118.700 -0.083 0.000 2.430 1413 N HA 0.262 5.002 4.740 0.000 0.000 0.265 1413 N C -2.655 172.835 175.510 -0.034 0.000 1.100 1413 N CA -0.954 52.068 53.050 -0.047 0.000 0.961 1413 N CB 0.582 39.025 38.487 -0.074 0.000 1.075 1413 N HN 0.153 nan 8.380 nan 0.000 0.478 1414 P HA 0.097 nan 4.420 nan 0.000 0.269 1414 P C -1.978 175.299 177.300 -0.038 0.000 1.209 1414 P CA -0.966 62.121 63.100 -0.022 0.000 0.776 1414 P CB 0.327 32.017 31.700 -0.017 0.000 0.876 1415 P HA -0.066 nan 4.420 nan 0.000 0.236 1415 P C 0.069 177.338 177.300 -0.051 0.000 1.177 1415 P CA 1.146 64.218 63.100 -0.047 0.000 0.773 1415 P CB 0.180 31.856 31.700 -0.041 0.000 0.878 1416 D N -0.914 119.458 120.400 -0.046 0.000 2.670 1416 D HA 0.354 4.995 4.640 0.000 0.000 0.255 1416 D C 0.167 176.434 176.300 -0.054 0.000 1.286 1416 D CA -0.756 53.214 54.000 -0.049 0.000 0.830 1416 D CB 0.050 40.824 40.800 -0.043 0.000 1.065 1416 D HN 0.003 nan 8.370 nan 0.000 0.486 1417 A N -0.249 122.538 122.820 -0.056 0.000 2.288 1417 A HA 0.784 5.104 4.320 0.000 0.000 0.328 1417 A C 0.874 178.420 177.584 -0.063 0.000 1.123 1417 A CA -0.290 51.713 52.037 -0.057 0.000 0.861 1417 A CB 0.773 19.747 19.000 -0.043 0.000 1.272 1417 A HN 0.189 nan 8.150 nan 0.000 0.490 1418 G N -0.666 108.098 108.800 -0.061 0.000 2.611 1418 G HA2 0.483 4.443 3.960 0.000 0.000 0.273 1418 G HA3 0.483 4.443 3.960 0.000 0.000 0.273 1418 G C -2.608 172.266 174.900 -0.044 0.000 1.305 1418 G CA -1.063 44.006 45.100 -0.052 0.000 1.010 1418 G HN 0.525 nan 8.290 nan 0.000 0.509 1419 P HA 0.060 nan 4.420 nan 0.000 0.266 1419 P C 0.062 177.366 177.300 0.007 0.000 1.195 1419 P CA 0.068 63.164 63.100 -0.007 0.000 0.768 1419 P CB 0.461 32.220 31.700 0.098 0.000 0.838 1420 M N 3.619 123.223 119.600 0.006 0.000 2.227 1420 M HA 0.114 4.594 4.480 0.000 0.000 0.349 1420 M C -0.888 175.488 176.300 0.126 0.000 1.443 1420 M CA -0.032 55.314 55.300 0.076 0.000 1.110 1420 M CB 0.164 32.850 32.600 0.144 0.000 1.773 1420 M HN -0.017 nan 8.290 nan 0.000 0.463 1421 V N 6.779 126.735 119.914 0.069 0.000 2.432 1421 V HA 0.308 4.428 4.120 0.000 0.000 0.271 1421 V C -0.288 175.849 176.094 0.071 0.000 1.046 1421 V CA -0.515 61.818 62.300 0.055 0.000 0.945 1421 V CB 1.133 32.941 31.823 -0.025 0.000 0.992 1421 V HN 0.654 nan 8.190 nan 0.000 0.471 1422 V N 5.781 125.732 119.914 0.062 0.000 2.487 1422 V HA 0.596 4.716 4.120 0.000 0.000 0.298 1422 V C -0.488 175.640 176.094 0.057 0.000 1.028 1422 V CA -0.650 61.628 62.300 -0.037 0.000 0.860 1422 V CB 1.627 33.374 31.823 -0.127 0.000 0.991 1422 V HN 1.158 nan 8.190 nan 0.000 0.427 1423 H N 2.159 121.209 119.070 -0.032 0.000 2.928 1423 H HA 0.856 5.412 4.556 0.000 0.000 0.371 1423 H C -0.095 175.215 175.328 -0.031 0.000 1.186 1423 H CA -0.272 55.760 56.048 -0.027 0.000 1.134 1423 H CB 1.656 31.401 29.762 -0.029 0.000 1.824 1423 H HN 0.730 nan 8.280 nan 0.000 0.554 1424 C N 0.519 119.852 119.300 0.055 0.000 3.890 1424 C HA 0.612 5.072 4.460 0.000 0.000 0.125 1424 C C 2.045 177.119 174.990 0.140 0.000 2.769 1424 C CA 0.552 59.569 59.018 -0.003 0.000 1.792 1424 C CB 0.726 28.391 27.740 -0.124 0.000 3.410 1424 C HN 0.899 nan 8.230 nan 0.000 0.429 1425 S N 1.389 117.131 115.700 0.070 0.000 2.370 1425 S HA 0.250 4.720 4.470 0.000 0.000 0.214 1425 S C 1.827 176.543 174.600 0.193 0.000 1.033 1425 S CA 1.522 59.806 58.200 0.139 0.000 0.941 1425 S CB -0.873 62.402 63.200 0.125 0.000 0.886 1425 S HN 1.379 nan 8.310 nan 0.000 0.521 1426 A N -0.147 122.740 122.820 0.112 0.000 2.195 1426 A HA 0.564 4.884 4.320 0.000 0.000 0.210 1426 A C 1.626 179.234 177.584 0.040 0.000 1.165 1426 A CA 0.703 52.798 52.037 0.097 0.000 0.806 1426 A CB -0.934 17.980 19.000 -0.144 0.000 0.847 1426 A HN 1.677 nan 8.150 nan 0.000 0.482 1427 G N -0.901 107.910 108.800 0.019 0.000 2.198 1427 G HA2 -0.193 3.767 3.960 0.000 0.000 0.257 1427 G HA3 -0.193 3.767 3.960 0.000 0.000 0.257 1427 G C 0.771 175.658 174.900 -0.022 0.000 1.042 1427 G CA 0.943 46.045 45.100 0.004 0.000 0.791 1427 G HN 1.614 nan 8.290 nan 0.000 0.502 1428 V N -4.666 115.228 119.914 -0.033 0.000 3.229 1428 V HA 0.629 4.749 4.120 0.000 0.000 0.239 1428 V C 2.050 178.132 176.094 -0.020 0.000 1.390 1428 V CA 1.448 63.738 62.300 -0.016 0.000 1.231 1428 V CB -0.448 31.393 31.823 0.031 0.000 1.025 1428 V HN 0.883 nan 8.190 nan 0.000 0.461 1429 G N 1.025 109.783 108.800 -0.071 0.000 2.648 1429 G HA2 0.029 3.989 3.960 0.000 0.000 0.217 1429 G HA3 0.029 3.989 3.960 0.000 0.000 0.217 1429 G C 1.457 176.266 174.900 -0.151 0.000 1.386 1429 G CA 0.587 45.630 45.100 -0.094 0.000 0.920 1429 G HN 0.374 nan 8.290 nan 0.000 0.540 1430 R N -0.178 120.121 120.500 -0.334 0.000 2.127 1430 R HA -0.050 4.290 4.340 0.000 0.000 0.238 1430 R C 2.774 178.944 176.300 -0.217 0.000 1.134 1430 R CA 1.648 57.421 56.100 -0.544 0.000 0.975 1430 R CB -0.680 29.072 30.300 -0.912 0.000 0.865 1430 R HN 0.304 nan 8.270 nan 0.000 0.447 1431 T N -0.064 114.410 114.554 -0.133 0.000 2.720 1431 T HA -0.125 4.225 4.350 0.000 0.000 0.268 1431 T C 1.884 176.604 174.700 0.033 0.000 1.037 1431 T CA 1.556 63.635 62.100 -0.036 0.000 1.144 1431 T CB -0.421 68.424 68.868 -0.038 0.000 0.864 1431 T HN 0.570 nan 8.240 nan 0.000 0.444 1432 G N 0.162 108.973 108.800 0.018 0.000 2.402 1432 G HA2 -0.212 3.748 3.960 0.000 0.000 0.216 1432 G HA3 -0.212 3.748 3.960 0.000 0.000 0.216 1432 G C 1.916 176.876 174.900 0.099 0.000 1.162 1432 G CA 0.988 46.123 45.100 0.057 0.000 0.777 1432 G HN 0.532 nan 8.290 nan 0.000 0.539 1433 C N -0.116 119.244 119.300 0.101 0.000 2.413 1433 C HA -0.061 4.399 4.460 0.000 0.000 0.277 1433 C C 2.439 177.528 174.990 0.165 0.000 1.228 1433 C CA 0.855 59.956 59.018 0.140 0.000 1.731 1433 C CB -1.298 26.551 27.740 0.181 0.000 2.042 1433 C HN 0.488 nan 8.230 nan 0.000 0.468 1434 F N 1.410 121.421 119.950 0.101 0.000 2.091 1434 F HA -0.171 4.356 4.527 0.000 0.000 0.299 1434 F C 2.126 177.968 175.800 0.070 0.000 1.103 1434 F CA 1.839 60.008 58.000 0.281 0.000 1.228 1434 F CB -0.294 38.864 39.000 0.264 0.000 0.984 1434 F HN 0.171 nan 8.300 nan 0.000 0.477 1435 I N -0.761 119.902 120.570 0.154 0.000 2.286 1435 I HA -0.246 3.924 4.170 0.000 0.000 0.245 1435 I C 2.183 178.214 176.117 -0.142 0.000 1.104 1435 I CA 0.939 62.108 61.300 -0.219 0.000 1.397 1435 I CB -0.471 37.336 38.000 -0.323 0.000 1.072 1435 I HN 0.007 nan 8.210 nan 0.000 0.417 1436 V N 1.022 120.940 119.914 0.007 0.000 2.379 1436 V HA -0.234 3.886 4.120 0.000 0.000 0.245 1436 V C 2.276 178.327 176.094 -0.071 0.000 1.044 1436 V CA 1.678 64.005 62.300 0.044 0.000 1.036 1436 V CB -0.319 31.590 31.823 0.144 0.000 0.664 1436 V HN 0.308 nan 8.190 nan 0.000 0.453 1437 I N 0.325 120.859 120.570 -0.060 0.000 2.202 1437 I HA -0.227 3.943 4.170 0.000 0.000 0.242 1437 I C 2.395 178.419 176.117 -0.155 0.000 1.091 1437 I CA 1.911 63.161 61.300 -0.083 0.000 1.368 1437 I CB -0.440 37.582 38.000 0.036 0.000 1.058 1437 I HN 0.354 nan 8.210 nan 0.000 0.410 1438 D N 1.118 121.370 120.400 -0.245 0.000 2.106 1438 D HA -0.239 4.401 4.640 0.000 0.000 0.191 1438 D C 2.156 178.382 176.300 -0.122 0.000 0.997 1438 D CA 1.957 55.806 54.000 -0.251 0.000 0.834 1438 D CB -0.007 40.612 40.800 -0.301 0.000 0.956 1438 D HN 0.313 nan 8.370 nan 0.000 0.448 1439 A N 0.031 122.790 122.820 -0.101 0.000 1.877 1439 A HA -0.167 4.153 4.320 0.000 0.000 0.216 1439 A C 2.246 179.699 177.584 -0.218 0.000 1.186 1439 A CA 1.977 53.944 52.037 -0.116 0.000 0.620 1439 A CB -0.549 18.254 19.000 -0.328 0.000 0.822 1439 A HN 0.250 nan 8.150 nan 0.000 0.443 1440 M N -1.011 118.440 119.600 -0.248 0.000 2.159 1440 M HA -0.073 4.407 4.480 0.000 0.000 0.263 1440 M C 2.032 178.189 176.300 -0.239 0.000 1.063 1440 M CA 1.030 56.181 55.300 -0.248 0.000 1.110 1440 M CB -1.414 31.070 32.600 -0.193 0.000 1.374 1440 M HN 0.309 nan 8.290 nan 0.000 0.411 1441 L N 0.657 121.765 121.223 -0.192 0.000 1.990 1441 L HA -0.210 4.130 4.340 0.000 0.000 0.213 1441 L C 2.343 179.105 176.870 -0.180 0.000 1.072 1441 L CA 1.897 56.636 54.840 -0.168 0.000 0.755 1441 L CB -1.189 40.780 42.059 -0.150 0.000 0.889 1441 L HN 0.392 nan 8.230 nan 0.000 0.432 1442 E N -1.194 118.900 120.200 -0.178 0.000 2.118 1442 E HA -0.268 4.082 4.350 0.000 0.000 0.195 1442 E C 2.306 178.681 176.600 -0.375 0.000 0.992 1442 E CA 1.133 57.444 56.400 -0.147 0.000 0.804 1442 E CB -0.150 29.551 29.700 0.001 0.000 0.741 1442 E HN 0.375 nan 8.360 nan 0.000 0.458 1443 R N 1.032 121.062 120.500 -0.783 0.000 2.073 1443 R HA -0.150 4.190 4.340 0.000 0.000 0.234 1443 R C 2.327 178.338 176.300 -0.481 0.000 1.134 1443 R CA 1.212 56.573 56.100 -1.231 0.000 0.952 1443 R CB -0.258 29.442 30.300 -1.001 0.000 0.850 1443 R HN 0.112 nan 8.270 nan 0.000 0.433 1444 I N 1.249 121.638 120.570 -0.302 0.000 2.118 1444 I HA -0.348 3.822 4.170 0.000 0.000 0.241 1444 I C 2.683 178.731 176.117 -0.116 0.000 1.070 1444 I CA 1.698 62.895 61.300 -0.171 0.000 1.327 1444 I CB -0.339 37.578 38.000 -0.138 0.000 1.034 1444 I HN 0.281 nan 8.210 nan 0.000 0.405 1445 K N -0.202 120.139 120.400 -0.098 0.000 2.147 1445 K HA -0.274 4.046 4.320 0.000 0.000 0.205 1445 K C 2.046 178.663 176.600 0.028 0.000 1.049 1445 K CA 1.819 58.085 56.287 -0.034 0.000 0.936 1445 K CB -0.065 32.420 32.500 -0.024 0.000 0.722 1445 K HN 0.401 nan 8.250 nan 0.000 0.446 1446 H N -0.860 118.171 119.070 -0.065 0.000 2.604 1446 H HA 0.148 4.704 4.556 0.000 0.000 0.273 1446 H C 1.249 176.589 175.328 0.019 0.000 0.971 1446 H CA 1.105 57.165 56.048 0.020 0.000 1.249 1446 H CB 0.755 30.614 29.762 0.163 0.000 1.449 1446 H HN 0.301 nan 8.280 nan 0.000 0.512 1447 E N -0.563 119.597 120.200 -0.067 0.000 2.603 1447 E HA 0.095 4.445 4.350 0.000 0.000 0.224 1447 E C -0.119 176.436 176.600 -0.074 0.000 0.896 1447 E CA -0.034 56.320 56.400 -0.076 0.000 1.224 1447 E CB 0.615 30.339 29.700 0.040 0.000 1.206 1447 E HN 0.056 nan 8.360 nan 0.000 0.576 1448 K N 0.782 121.132 120.400 -0.084 0.000 3.088 1448 K HA -0.163 4.157 4.320 0.000 0.000 0.273 1448 K C -0.328 176.232 176.600 -0.066 0.000 1.111 1448 K CA 1.608 57.852 56.287 -0.073 0.000 0.803 1448 K CB -2.848 29.616 32.500 -0.060 0.000 1.226 1448 K HN 0.494 nan 8.250 nan 0.000 0.485 1449 T N -3.361 111.148 114.554 -0.075 0.000 2.901 1449 T HA 0.752 5.102 4.350 0.000 0.000 0.293 1449 T C -0.097 174.551 174.700 -0.086 0.000 1.084 1449 T CA -0.323 61.739 62.100 -0.063 0.000 1.008 1449 T CB 2.973 71.822 68.868 -0.032 0.000 1.170 1449 T HN 0.319 nan 8.240 nan 0.000 0.509 1450 V N -0.909 118.965 119.914 -0.066 0.000 2.623 1450 V HA 0.749 4.869 4.120 0.000 0.000 0.304 1450 V C -1.434 174.653 176.094 -0.012 0.000 1.054 1450 V CA -0.785 61.476 62.300 -0.065 0.000 0.882 1450 V CB 1.692 33.463 31.823 -0.086 0.000 1.002 1450 V HN 0.994 nan 8.190 nan 0.000 0.424 1451 D N 3.467 123.888 120.400 0.036 0.000 2.517 1451 D HA 0.470 5.110 4.640 0.000 0.000 0.301 1451 D C 0.964 177.361 176.300 0.161 0.000 1.202 1451 D CA -0.367 53.706 54.000 0.121 0.000 0.910 1451 D CB 0.674 41.566 40.800 0.153 0.000 1.021 1451 D HN 0.569 nan 8.370 nan 0.000 0.499 1452 I N 0.985 121.629 120.570 0.124 0.000 2.208 1452 I HA -0.267 3.903 4.170 0.000 0.000 0.245 1452 I C 1.849 178.162 176.117 0.327 0.000 1.097 1452 I CA 0.925 62.303 61.300 0.129 0.000 1.363 1452 I CB -0.307 37.606 38.000 -0.144 0.000 1.051 1452 I HN 0.358 nan 8.210 nan 0.000 0.413 1453 Y N 1.830 122.308 120.300 0.296 0.000 2.165 1453 Y HA -0.199 4.351 4.550 0.000 0.000 0.286 1453 Y C 2.420 178.428 175.900 0.181 0.000 1.155 1453 Y CA 1.708 59.991 58.100 0.304 0.000 1.164 1453 Y CB -0.690 37.904 38.460 0.223 0.000 0.978 1453 Y HN 0.078 nan 8.280 nan 0.000 0.513 1454 G N -1.819 107.130 108.800 0.250 0.000 2.402 1454 G HA2 -0.316 3.644 3.960 0.000 0.000 0.216 1454 G HA3 -0.316 3.644 3.960 0.000 0.000 0.216 1454 G C 1.373 176.334 174.900 0.102 0.000 1.162 1454 G CA 1.083 46.273 45.100 0.149 0.000 0.777 1454 G HN 0.534 nan 8.290 nan 0.000 0.539 1455 H N -0.101 119.022 119.070 0.087 0.000 2.357 1455 H HA 0.011 4.567 4.556 0.000 0.000 0.301 1455 H C 2.638 178.001 175.328 0.059 0.000 1.082 1455 H CA 1.423 57.521 56.048 0.083 0.000 1.342 1455 H CB -0.033 29.786 29.762 0.096 0.000 1.389 1455 H HN 0.123 nan 8.280 nan 0.000 0.511 1456 V N -0.268 119.709 119.914 0.105 0.000 2.295 1456 V HA -0.292 3.828 4.120 0.000 0.000 0.246 1456 V C 2.355 178.388 176.094 -0.102 0.000 1.049 1456 V CA 2.249 64.572 62.300 0.039 0.000 1.024 1456 V CB -0.885 31.038 31.823 0.166 0.000 0.648 1456 V HN 0.553 nan 8.190 nan 0.000 0.447 1457 T N 0.450 114.887 114.554 -0.196 0.000 2.665 1457 T HA -0.261 4.089 4.350 0.000 0.000 0.268 1457 T C 1.893 176.534 174.700 -0.100 0.000 1.035 1457 T CA 2.032 64.010 62.100 -0.203 0.000 1.151 1457 T CB -0.410 68.290 68.868 -0.279 0.000 0.862 1457 T HN 0.291 nan 8.240 nan 0.000 0.438 1458 L N 0.694 121.851 121.223 -0.109 0.000 2.083 1458 L HA -0.027 4.313 4.340 0.000 0.000 0.209 1458 L C 2.364 179.178 176.870 -0.093 0.000 1.083 1458 L CA 1.523 56.307 54.840 -0.095 0.000 0.752 1458 L CB -0.490 41.477 42.059 -0.154 0.000 0.899 1458 L HN 0.234 nan 8.230 nan 0.000 0.433 1459 M N -1.316 118.191 119.600 -0.156 0.000 2.159 1459 M HA -0.144 4.336 4.480 0.000 0.000 0.263 1459 M C 2.123 178.405 176.300 -0.029 0.000 1.063 1459 M CA 1.287 56.534 55.300 -0.089 0.000 1.110 1459 M CB -1.018 31.542 32.600 -0.067 0.000 1.374 1459 M HN 0.208 nan 8.290 nan 0.000 0.411 1460 R N 0.441 120.925 120.500 -0.026 0.000 2.237 1460 R HA 0.044 4.384 4.340 0.000 0.000 0.219 1460 R C 1.985 178.329 176.300 0.073 0.000 1.080 1460 R CA 1.171 57.269 56.100 -0.003 0.000 0.995 1460 R CB -0.696 29.593 30.300 -0.017 0.000 0.875 1460 R HN 0.413 nan 8.270 nan 0.000 0.462 1461 A N 0.462 123.359 122.820 0.127 0.000 2.169 1461 A HA -0.040 4.280 4.320 0.000 0.000 0.212 1461 A C 1.740 179.501 177.584 0.294 0.000 1.153 1461 A CA 0.471 52.673 52.037 0.276 0.000 0.756 1461 A CB 0.129 19.291 19.000 0.271 0.000 0.813 1461 A HN 0.282 nan 8.150 nan 0.000 0.471 1462 Q N -1.581 118.321 119.800 0.171 0.000 2.396 1462 Q HA 0.230 4.570 4.340 0.000 0.000 0.220 1462 Q C 0.709 176.713 176.000 0.006 0.000 0.900 1462 Q CA 0.228 56.104 55.803 0.120 0.000 0.925 1462 Q CB 0.639 29.424 28.738 0.078 0.000 1.065 1462 Q HN 0.482 nan 8.270 nan 0.000 0.535 1463 R N 1.582 122.025 120.500 -0.095 0.000 2.566 1463 R HA 0.178 4.518 4.340 0.000 0.000 0.271 1463 R C -1.392 174.619 176.300 -0.482 0.000 1.071 1463 R CA -0.454 55.423 56.100 -0.372 0.000 0.915 1463 R CB 1.155 31.310 30.300 -0.242 0.000 1.228 1463 R HN 0.211 nan 8.270 nan 0.000 0.449 1464 N N 3.303 121.445 118.700 -0.930 0.000 2.412 1464 N HA -0.079 4.661 4.740 0.000 0.000 0.254 1464 N C -0.710 174.472 175.510 -0.546 0.000 1.232 1464 N CA 0.052 52.548 53.050 -0.923 0.000 0.880 1464 N CB 0.237 37.826 38.487 -1.496 0.000 1.076 1464 N HN 0.737 nan 8.380 nan 0.000 0.458 1465 Y N -2.783 117.440 120.300 -0.130 0.000 4.668 1465 Y HA -0.215 4.335 4.550 0.000 0.000 0.234 1465 Y C 0.163 176.028 175.900 -0.059 0.000 1.056 1465 Y CA -0.024 58.022 58.100 -0.090 0.000 2.025 1465 Y CB -1.998 36.398 38.460 -0.106 0.000 1.613 1465 Y HN 0.609 nan 8.280 nan 0.000 0.653 1466 M N 0.821 120.442 119.600 0.034 0.000 2.290 1466 M HA 0.179 4.659 4.480 0.000 0.000 0.356 1466 M C 0.965 177.324 176.300 0.099 0.000 1.448 1466 M CA 0.570 55.895 55.300 0.041 0.000 0.993 1466 M CB -0.204 32.401 32.600 0.008 0.000 1.934 1466 M HN 0.304 nan 8.290 nan 0.000 0.461 1467 V N 3.574 123.562 119.914 0.124 0.000 4.394 1467 V HA -0.239 3.881 4.120 0.000 0.000 0.413 1467 V C 1.036 177.278 176.094 0.246 0.000 0.674 1467 V CA 0.905 63.327 62.300 0.203 0.000 1.706 1467 V CB -1.797 30.218 31.823 0.319 0.000 2.080 1467 V HN 1.050 nan 8.190 nan 0.000 0.482 1468 Q N 1.502 121.392 119.800 0.150 0.000 2.354 1468 Q HA 0.066 4.406 4.340 0.000 0.000 0.203 1468 Q C 1.036 177.120 176.000 0.140 0.000 0.933 1468 Q CA 1.325 57.199 55.803 0.118 0.000 0.901 1468 Q CB 0.590 29.323 28.738 -0.009 0.000 1.007 1468 Q HN 1.073 nan 8.270 nan 0.000 0.495 1469 T N -4.025 110.572 114.554 0.071 0.000 2.916 1469 T HA 0.244 4.594 4.350 0.000 0.000 0.292 1469 T C 0.439 174.844 174.700 -0.492 0.000 1.064 1469 T CA -0.820 61.222 62.100 -0.097 0.000 1.011 1469 T CB 1.642 70.460 68.868 -0.084 0.000 1.152 1469 T HN 0.136 nan 8.240 nan 0.000 0.510 1470 E N 0.191 119.952 120.200 -0.731 0.000 2.072 1470 E HA -0.179 4.171 4.350 0.000 0.000 0.191 1470 E C 0.955 177.305 176.600 -0.416 0.000 0.985 1470 E CA 1.369 57.218 56.400 -0.918 0.000 0.801 1470 E CB -0.082 29.280 29.700 -0.562 0.000 0.750 1470 E HN 0.677 nan 8.360 nan 0.000 0.452 1471 D N 0.470 120.717 120.400 -0.255 0.000 2.182 1471 D HA -0.175 4.465 4.640 0.000 0.000 0.201 1471 D C 1.914 178.178 176.300 -0.061 0.000 0.986 1471 D CA 0.944 54.848 54.000 -0.160 0.000 0.847 1471 D CB -0.178 40.554 40.800 -0.114 0.000 0.942 1471 D HN 0.316 nan 8.370 nan 0.000 0.467 1472 Q N -0.860 118.932 119.800 -0.013 0.000 2.046 1472 Q HA -0.170 4.170 4.340 0.000 0.000 0.200 1472 Q C 1.973 178.092 176.000 0.199 0.000 0.975 1472 Q CA 0.851 56.738 55.803 0.139 0.000 0.836 1472 Q CB -0.218 28.602 28.738 0.136 0.000 0.896 1472 Q HN 0.315 nan 8.270 nan 0.000 0.428 1473 Y N 1.168 121.449 120.300 -0.033 0.000 2.151 1473 Y HA -0.272 4.278 4.550 0.000 0.000 0.284 1473 Y C 1.818 177.772 175.900 0.090 0.000 1.166 1473 Y CA 1.447 59.599 58.100 0.086 0.000 1.163 1473 Y CB -0.175 38.315 38.460 0.050 0.000 0.974 1473 Y HN 0.079 nan 8.280 nan 0.000 0.511 1474 I N -1.557 118.897 120.570 -0.193 0.000 2.252 1474 I HA -0.294 3.877 4.170 0.000 0.000 0.245 1474 I C 2.222 178.294 176.117 -0.076 0.000 1.102 1474 I CA 1.354 62.389 61.300 -0.440 0.000 1.385 1474 I CB -0.546 37.074 38.000 -0.634 0.000 1.064 1474 I HN 0.196 nan 8.210 nan 0.000 0.414 1475 F N 1.859 121.731 119.950 -0.130 0.000 2.126 1475 F HA -0.222 4.305 4.527 0.000 0.000 0.299 1475 F C 2.224 177.988 175.800 -0.060 0.000 1.096 1475 F CA 1.573 59.511 58.000 -0.103 0.000 1.255 1475 F CB -0.279 38.639 39.000 -0.135 0.000 0.997 1475 F HN -0.092 nan 8.300 nan 0.000 0.479 1476 I N -0.223 120.308 120.570 -0.065 0.000 2.163 1476 I HA -0.385 3.785 4.170 0.000 0.000 0.243 1476 I C 2.331 178.311 176.117 -0.229 0.000 1.085 1476 I CA 1.870 63.061 61.300 -0.182 0.000 1.347 1476 I CB -0.696 37.271 38.000 -0.056 0.000 1.044 1476 I HN 0.155 nan 8.210 nan 0.000 0.408 1477 H N 0.335 119.308 119.070 -0.163 0.000 2.321 1477 H HA -0.175 4.381 4.556 0.000 0.000 0.300 1477 H C 1.933 177.202 175.328 -0.098 0.000 1.087 1477 H CA 1.758 57.765 56.048 -0.068 0.000 1.319 1477 H CB -0.282 29.541 29.762 0.102 0.000 1.379 1477 H HN 0.269 nan 8.280 nan 0.000 0.501 1478 D N -0.011 120.374 120.400 -0.025 0.000 2.117 1478 D HA -0.118 4.522 4.640 0.000 0.000 0.197 1478 D C 2.241 178.418 176.300 -0.205 0.000 0.987 1478 D CA 1.256 55.199 54.000 -0.095 0.000 0.829 1478 D CB -0.427 40.309 40.800 -0.106 0.000 0.961 1478 D HN 0.438 nan 8.370 nan 0.000 0.460 1479 A N 0.436 123.007 122.820 -0.415 0.000 1.898 1479 A HA -0.085 4.235 4.320 0.000 0.000 0.216 1479 A C 2.371 179.842 177.584 -0.188 0.000 1.181 1479 A CA 0.825 52.633 52.037 -0.381 0.000 0.620 1479 A CB -0.728 17.933 19.000 -0.565 0.000 0.819 1479 A HN 0.203 nan 8.150 nan 0.000 0.442 1480 L N -1.024 120.094 121.223 -0.175 0.000 2.141 1480 L HA -0.132 4.208 4.340 0.000 0.000 0.209 1480 L C 2.511 179.333 176.870 -0.080 0.000 1.094 1480 L CA 0.849 55.614 54.840 -0.125 0.000 0.763 1480 L CB -0.459 41.513 42.059 -0.146 0.000 0.908 1480 L HN 0.448 nan 8.230 nan 0.000 0.437 1481 L N 0.362 121.552 121.223 -0.056 0.000 2.017 1481 L HA -0.228 4.112 4.340 0.000 0.000 0.208 1481 L C 2.509 179.362 176.870 -0.029 0.000 1.073 1481 L CA 1.918 56.745 54.840 -0.022 0.000 0.745 1481 L CB -0.502 41.563 42.059 0.010 0.000 0.894 1481 L HN 0.296 nan 8.230 nan 0.000 0.432 1482 E N -0.513 119.664 120.200 -0.039 0.000 2.085 1482 E HA -0.264 4.086 4.350 0.000 0.000 0.194 1482 E C 2.062 178.642 176.600 -0.033 0.000 0.994 1482 E CA 1.400 57.782 56.400 -0.029 0.000 0.801 1482 E CB -0.244 29.440 29.700 -0.025 0.000 0.743 1482 E HN 0.596 nan 8.360 nan 0.000 0.453 1483 A N 0.901 123.692 122.820 -0.048 0.000 1.902 1483 A HA -0.161 4.159 4.320 0.000 0.000 0.217 1483 A C 2.509 180.064 177.584 -0.047 0.000 1.181 1483 A CA 1.895 53.901 52.037 -0.051 0.000 0.623 1483 A CB -1.102 17.857 19.000 -0.069 0.000 0.818 1483 A HN 0.394 nan 8.150 nan 0.000 0.443 1484 V N -0.676 119.210 119.914 -0.046 0.000 2.358 1484 V HA -0.103 4.017 4.120 0.000 0.000 0.246 1484 V C 1.874 177.950 176.094 -0.029 0.000 1.047 1484 V CA 2.291 64.567 62.300 -0.040 0.000 1.035 1484 V CB -1.966 29.833 31.823 -0.039 0.000 0.658 1484 V HN 0.751 nan 8.190 nan 0.000 0.452 1485 T N -1.045 113.494 114.554 -0.024 0.000 4.729 1485 T HA 0.361 4.712 4.350 0.000 0.000 0.219 1485 T C 0.032 174.720 174.700 -0.019 0.000 0.849 1485 T CA 0.167 62.257 62.100 -0.018 0.000 0.968 1485 T CB -2.035 66.826 68.868 -0.012 0.000 1.436 1485 T HN 0.704 nan 8.240 nan 0.000 1.056 1486 C N 0.000 119.287 119.300 -0.021 0.000 2.653 1486 C HA 0.000 4.460 4.460 0.000 0.000 0.325 1486 C CA 0.000 59.006 59.018 -0.021 0.000 1.963 1486 C CB 0.000 27.726 27.740 -0.023 0.000 2.134 1486 C HN 0.000 nan 8.230 nan 0.000 0.568