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 1t70_1_E DATA FIRST_RESID 1201 DATA SEQUENCE MRVLFIGDVF GQPGRRVLQN HLPTIRPQFD FVIVNMENSA GGFGMHRDAA DATA SEQUENCE RGALEAGAGC LTLGNHAWHH KDIYPMLSED TYPIVRPLNY ADPGTPGVGW DATA SEQUENCE RTFDVNGEKL TVVNLLGRVF MEAVDNPFRT MDALLERDDL GTVFVDFHAE DATA SEQUENCE ATSEKEAMGW HLAGRVAAVI GTHTHVPTAD TRILKGGTAY QTDAGFTGPH DATA SEQUENCE DSIIGSAIEG PLQRFLTERP HRYGVAEGRA ELNGVALHFE GGKATAAERY DATA SEQUENCE RFIED 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 1201 M HA 0.000 nan 4.480 nan 0.000 0.227 1201 M C 0.000 176.352 176.300 0.087 0.000 1.140 1201 M CA 0.000 55.378 55.300 0.130 0.000 0.988 1201 M CB 0.000 32.619 32.600 0.032 0.000 1.302 1202 R N 2.055 122.620 120.500 0.109 0.000 2.310 1202 R HA 0.630 4.970 4.340 -0.000 0.000 0.324 1202 R C -0.635 175.803 176.300 0.231 0.000 0.955 1202 R CA -0.344 55.867 56.100 0.186 0.000 0.830 1202 R CB 2.396 32.810 30.300 0.189 0.000 1.154 1202 R HN 0.168 nan 8.270 nan 0.000 0.458 1203 V N 0.872 120.864 119.914 0.131 0.000 3.007 1203 V HA 0.697 4.817 4.120 -0.000 0.000 0.311 1203 V C -1.433 174.580 176.094 -0.134 0.000 1.120 1203 V CA -1.152 61.190 62.300 0.071 0.000 0.980 1203 V CB 2.110 33.995 31.823 0.104 0.000 1.033 1203 V HN 0.574 nan 8.190 nan 0.000 0.429 1204 L N 3.836 124.802 121.223 -0.428 0.000 2.362 1204 L HA 0.801 5.141 4.340 -0.000 0.000 0.275 1204 L C -1.278 175.373 176.870 -0.364 0.000 0.998 1204 L CA -0.551 53.878 54.840 -0.685 0.000 0.820 1204 L CB 1.675 42.781 42.059 -1.590 0.000 1.270 1204 L HN 0.858 nan 8.230 nan 0.000 0.415 1205 F N 5.912 125.680 119.950 -0.305 0.000 2.444 1205 F HA 0.717 5.244 4.527 -0.000 0.000 0.342 1205 F C -0.945 174.772 175.800 -0.139 0.000 1.121 1205 F CA -0.612 57.267 58.000 -0.203 0.000 0.997 1205 F CB 1.048 40.044 39.000 -0.007 0.000 1.130 1205 F HN 0.376 nan 8.300 nan 0.000 0.454 1206 I N 5.138 125.193 120.570 -0.858 0.000 2.441 1206 I HA 0.478 4.648 4.170 -0.000 0.000 0.295 1206 I C 0.564 176.279 176.117 -0.671 0.000 0.994 1206 I CA -0.923 60.046 61.300 -0.552 0.000 1.144 1206 I CB 1.776 39.526 38.000 -0.416 0.000 1.314 1206 I HN 0.758 nan 8.210 nan 0.000 0.445 1207 G N 2.396 111.076 108.800 -0.201 0.000 2.504 1207 G HA2 0.212 4.172 3.960 -0.000 0.000 0.288 1207 G HA3 0.212 4.172 3.960 -0.000 0.000 0.288 1207 G C -0.648 174.251 174.900 -0.001 0.000 1.182 1207 G CA -0.484 44.619 45.100 0.006 0.000 0.894 1207 G HN 0.686 nan 8.290 nan 0.000 0.521 1208 D N -0.080 120.394 120.400 0.124 0.000 7.612 1208 D HA -0.069 4.571 4.640 -0.000 0.000 0.171 1208 D C 0.879 177.173 176.300 -0.009 0.000 1.375 1208 D CA 0.482 54.560 54.000 0.130 0.000 0.857 1208 D CB -0.281 40.687 40.800 0.280 0.000 1.630 1208 D HN 0.134 nan 8.370 nan 0.000 0.943 1209 V N 2.602 122.461 119.914 -0.091 0.000 2.763 1209 V HA 0.098 4.218 4.120 -0.000 0.000 0.306 1209 V C 0.303 176.326 176.094 -0.118 0.000 1.059 1209 V CA 0.100 62.299 62.300 -0.167 0.000 1.138 1209 V CB 0.435 32.149 31.823 -0.182 0.000 0.940 1209 V HN 0.368 nan 8.190 nan 0.000 0.489 1210 F N 3.880 123.603 119.950 -0.378 0.000 2.553 1210 F HA 0.652 5.179 4.527 -0.000 0.000 0.335 1210 F C 0.620 176.242 175.800 -0.296 0.000 1.148 1210 F CA 0.658 58.455 58.000 -0.339 0.000 0.963 1210 F CB 1.012 39.792 39.000 -0.366 0.000 1.217 1210 F HN 0.921 nan 8.300 nan 0.000 0.441 1211 G N 4.567 113.016 108.800 -0.583 0.000 2.601 1211 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.261 1211 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.261 1211 G C 0.576 175.343 174.900 -0.222 0.000 1.289 1211 G CA 0.566 45.411 45.100 -0.425 0.000 0.920 1211 G HN 0.698 nan 8.290 nan 0.000 0.571 1212 Q N 0.749 120.469 119.800 -0.134 0.000 1.990 1212 Q HA -0.018 4.322 4.340 -0.000 0.000 0.200 1212 Q C 0.141 176.099 176.000 -0.069 0.000 0.980 1212 Q CA 2.164 57.920 55.803 -0.080 0.000 0.832 1212 Q CB -0.569 28.146 28.738 -0.038 0.000 0.897 1212 Q HN 0.487 nan 8.270 nan 0.000 0.427 1213 P HA -0.193 nan 4.420 nan 0.000 0.217 1213 P C 0.995 178.241 177.300 -0.091 0.000 1.151 1213 P CA 1.964 65.036 63.100 -0.048 0.000 0.849 1213 P CB -0.301 31.383 31.700 -0.027 0.000 0.787 1214 G N -0.680 108.042 108.800 -0.131 0.000 2.394 1214 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.215 1214 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.215 1214 G C 1.666 176.475 174.900 -0.150 0.000 1.165 1214 G CA 0.371 45.359 45.100 -0.187 0.000 0.784 1214 G HN 0.207 nan 8.290 nan 0.000 0.535 1215 R N -0.190 120.231 120.500 -0.133 0.000 2.075 1215 R HA 0.029 4.369 4.340 -0.000 0.000 0.232 1215 R C 2.637 178.888 176.300 -0.081 0.000 1.126 1215 R CA 1.058 57.090 56.100 -0.112 0.000 0.963 1215 R CB -0.300 29.941 30.300 -0.098 0.000 0.858 1215 R HN 0.264 nan 8.270 nan 0.000 0.435 1216 R N 1.000 121.463 120.500 -0.063 0.000 2.113 1216 R HA -0.179 4.161 4.340 -0.000 0.000 0.231 1216 R C 2.251 178.533 176.300 -0.030 0.000 1.129 1216 R CA 2.624 58.702 56.100 -0.037 0.000 0.915 1216 R CB -0.682 29.605 30.300 -0.022 0.000 0.837 1216 R HN 0.238 nan 8.270 nan 0.000 0.430 1217 V N 0.257 120.157 119.914 -0.023 0.000 2.392 1217 V HA -0.205 3.915 4.120 -0.000 0.000 0.249 1217 V C 2.446 178.517 176.094 -0.038 0.000 1.059 1217 V CA 1.941 64.243 62.300 0.004 0.000 1.051 1217 V CB -1.136 30.704 31.823 0.029 0.000 0.658 1217 V HN 0.449 nan 8.190 nan 0.000 0.455 1218 L N 0.135 121.309 121.223 -0.081 0.000 2.275 1218 L HA -0.126 4.214 4.340 -0.000 0.000 0.215 1218 L C 2.316 179.132 176.870 -0.090 0.000 1.119 1218 L CA 2.172 56.947 54.840 -0.108 0.000 0.790 1218 L CB -0.710 41.265 42.059 -0.139 0.000 0.919 1218 L HN 0.525 nan 8.230 nan 0.000 0.443 1219 Q N -1.019 118.739 119.800 -0.071 0.000 2.373 1219 Q HA -0.004 4.336 4.340 -0.000 0.000 0.210 1219 Q C 1.565 177.530 176.000 -0.058 0.000 0.913 1219 Q CA 0.565 56.329 55.803 -0.065 0.000 0.911 1219 Q CB 0.356 29.061 28.738 -0.057 0.000 1.040 1219 Q HN 0.524 nan 8.270 nan 0.000 0.521 1220 N N -0.376 118.297 118.700 -0.045 0.000 2.395 1220 N HA -0.089 4.651 4.740 -0.000 0.000 0.175 1220 N C 1.318 176.769 175.510 -0.098 0.000 1.029 1220 N CA 0.882 53.900 53.050 -0.054 0.000 0.897 1220 N CB 0.171 38.645 38.487 -0.023 0.000 0.991 1220 N HN 0.273 nan 8.380 nan 0.000 0.441 1221 H N 0.720 119.671 119.070 -0.198 0.000 2.439 1221 H HA 0.216 4.772 4.556 -0.000 0.000 0.299 1221 H C 2.073 177.259 175.328 -0.236 0.000 1.033 1221 H CA 0.075 55.950 56.048 -0.288 0.000 1.348 1221 H CB 0.284 29.774 29.762 -0.453 0.000 1.449 1221 H HN 0.037 nan 8.280 nan 0.000 0.544 1222 L N 1.995 123.187 121.223 -0.051 0.000 2.042 1222 L HA -0.103 4.237 4.340 -0.000 0.000 0.210 1222 L C -0.600 176.210 176.870 -0.099 0.000 1.076 1222 L CA 1.294 56.078 54.840 -0.093 0.000 0.749 1222 L CB -1.099 40.880 42.059 -0.133 0.000 0.893 1222 L HN 0.248 nan 8.230 nan 0.000 0.432 1223 P HA -0.182 nan 4.420 nan 0.000 0.218 1223 P C 1.387 178.626 177.300 -0.102 0.000 1.146 1223 P CA 2.151 65.195 63.100 -0.094 0.000 0.813 1223 P CB -0.253 31.393 31.700 -0.090 0.000 0.778 1224 T N -1.556 112.905 114.554 -0.154 0.000 2.851 1224 T HA -0.043 4.307 4.350 -0.000 0.000 0.262 1224 T C 2.059 176.689 174.700 -0.117 0.000 1.043 1224 T CA 0.921 62.921 62.100 -0.167 0.000 1.140 1224 T CB -1.200 67.496 68.868 -0.287 0.000 0.872 1224 T HN 0.226 nan 8.240 nan 0.000 0.446 1225 I N -1.652 118.868 120.570 -0.084 0.000 3.226 1225 I HA 0.302 4.472 4.170 -0.000 0.000 0.277 1225 I C 2.733 178.905 176.117 0.092 0.000 1.243 1225 I CA -0.048 61.260 61.300 0.012 0.000 1.459 1225 I CB -0.492 37.563 38.000 0.092 0.000 1.093 1225 I HN -0.039 nan 8.210 nan 0.000 0.453 1226 R N 2.270 122.813 120.500 0.072 0.000 2.140 1226 R HA -0.148 4.192 4.340 -0.000 0.000 0.250 1226 R C -0.423 175.920 176.300 0.072 0.000 1.150 1226 R CA 2.162 58.332 56.100 0.116 0.000 0.966 1226 R CB -1.959 28.342 30.300 0.002 0.000 0.869 1226 R HN 0.307 nan 8.270 nan 0.000 0.445 1227 P HA -0.116 nan 4.420 nan 0.000 0.218 1227 P C 0.721 177.933 177.300 -0.147 0.000 1.146 1227 P CA 1.318 64.379 63.100 -0.066 0.000 0.813 1227 P CB -0.142 31.515 31.700 -0.072 0.000 0.778 1228 Q N -2.081 117.527 119.800 -0.320 0.000 2.472 1228 Q HA 0.051 4.391 4.340 -0.000 0.000 0.208 1228 Q C -0.055 175.449 176.000 -0.828 0.000 0.958 1228 Q CA 0.498 55.925 55.803 -0.626 0.000 0.932 1228 Q CB -0.111 28.081 28.738 -0.911 0.000 1.007 1228 Q HN 0.311 nan 8.270 nan 0.000 0.508 1229 F N -0.777 119.161 119.950 -0.018 0.000 2.593 1229 F HA 0.277 4.804 4.527 -0.000 0.000 0.320 1229 F C 0.737 176.544 175.800 0.012 0.000 1.060 1229 F CA -1.231 56.767 58.000 -0.005 0.000 0.940 1229 F CB 1.211 40.187 39.000 -0.041 0.000 1.268 1229 F HN -0.242 nan 8.300 nan 0.000 0.475 1230 D N 0.192 120.743 120.400 0.252 0.000 2.355 1230 D HA 0.084 4.724 4.640 -0.000 0.000 0.206 1230 D C -0.592 175.873 176.300 0.275 0.000 1.010 1230 D CA 1.131 55.250 54.000 0.199 0.000 0.875 1230 D CB 0.767 41.667 40.800 0.168 0.000 0.966 1230 D HN 0.259 nan 8.370 nan 0.000 0.512 1231 F N 0.472 120.455 119.950 0.055 0.000 2.650 1231 F HA 0.312 4.839 4.527 -0.000 0.000 0.310 1231 F C -1.706 174.015 175.800 -0.131 0.000 1.112 1231 F CA -0.848 57.123 58.000 -0.047 0.000 0.986 1231 F CB 1.663 40.623 39.000 -0.068 0.000 1.285 1231 F HN -0.427 nan 8.300 nan 0.000 0.440 1232 V N 6.348 125.838 119.914 -0.705 0.000 2.540 1232 V HA 0.500 4.620 4.120 -0.000 0.000 0.302 1232 V C -0.344 175.349 176.094 -0.667 0.000 1.035 1232 V CA -0.681 61.272 62.300 -0.578 0.000 0.873 1232 V CB 1.849 33.379 31.823 -0.489 0.000 0.992 1232 V HN 0.560 nan 8.190 nan 0.000 0.428 1233 I N 4.898 125.198 120.570 -0.449 0.000 2.339 1233 I HA 0.541 4.711 4.170 -0.000 0.000 0.290 1233 I C -0.714 175.097 176.117 -0.510 0.000 0.994 1233 I CA -0.662 60.415 61.300 -0.372 0.000 1.191 1233 I CB 1.866 39.718 38.000 -0.246 0.000 1.343 1233 I HN 0.294 nan 8.210 nan 0.000 0.458 1234 V N 5.879 125.543 119.914 -0.416 0.000 2.604 1234 V HA 0.348 4.468 4.120 -0.000 0.000 0.305 1234 V C -0.079 175.831 176.094 -0.306 0.000 1.043 1234 V CA -0.847 61.185 62.300 -0.446 0.000 0.888 1234 V CB 2.027 33.653 31.823 -0.328 0.000 0.995 1234 V HN 0.685 nan 8.190 nan 0.000 0.429 1235 N N 4.743 123.251 118.700 -0.320 0.000 2.422 1235 N HA 0.326 5.066 4.740 -0.000 0.000 0.266 1235 N C -0.185 175.270 175.510 -0.092 0.000 1.007 1235 N CA -0.415 52.583 53.050 -0.087 0.000 0.941 1235 N CB 1.428 39.965 38.487 0.083 0.000 1.115 1235 N HN 0.575 nan 8.380 nan 0.000 0.492 1236 M N 2.865 122.416 119.600 -0.083 0.000 2.685 1236 M HA 0.041 4.521 4.480 -0.000 0.000 0.355 1236 M C 1.291 177.525 176.300 -0.111 0.000 1.197 1236 M CA -0.030 55.199 55.300 -0.120 0.000 0.947 1236 M CB -0.335 32.175 32.600 -0.150 0.000 1.346 1236 M HN 0.663 nan 8.290 nan 0.000 0.516 1237 E N 1.558 121.732 120.200 -0.043 0.000 2.209 1237 E HA -0.168 4.182 4.350 -0.000 0.000 0.196 1237 E C 0.828 177.387 176.600 -0.068 0.000 0.993 1237 E CA 1.532 57.916 56.400 -0.028 0.000 0.819 1237 E CB 0.144 29.875 29.700 0.051 0.000 0.745 1237 E HN 0.425 nan 8.360 nan 0.000 0.477 1238 N N -0.127 118.507 118.700 -0.110 0.000 2.235 1238 N HA 0.116 4.856 4.740 -0.000 0.000 0.231 1238 N C 0.586 175.823 175.510 -0.455 0.000 1.177 1238 N CA 0.275 53.135 53.050 -0.316 0.000 0.874 1238 N CB 0.869 39.265 38.487 -0.152 0.000 1.097 1238 N HN 0.044 nan 8.380 nan 0.000 0.518 1239 S N 1.378 116.874 115.700 -0.341 0.000 2.372 1239 S HA -0.142 4.328 4.470 -0.000 0.000 0.227 1239 S C 1.195 175.469 174.600 -0.542 0.000 1.044 1239 S CA 1.032 58.995 58.200 -0.395 0.000 1.050 1239 S CB -0.059 62.929 63.200 -0.353 0.000 0.901 1239 S HN 0.497 nan 8.310 nan 0.000 0.447 1240 A N 0.529 122.998 122.820 -0.585 0.000 2.415 1240 A HA 0.545 4.865 4.320 -0.000 0.000 0.309 1240 A C 1.349 178.735 177.584 -0.330 0.000 1.356 1240 A CA 0.129 51.796 52.037 -0.617 0.000 0.998 1240 A CB -0.801 17.857 19.000 -0.569 0.000 1.145 1240 A HN 0.804 nan 8.150 nan 0.000 0.545 1241 G N 1.412 110.029 108.800 -0.305 0.000 2.219 1241 G HA2 0.019 3.979 3.960 -0.000 0.000 0.271 1241 G HA3 0.019 3.979 3.960 -0.000 0.000 0.271 1241 G C 1.569 176.140 174.900 -0.548 0.000 0.991 1241 G CA 1.442 46.399 45.100 -0.238 0.000 0.685 1241 G HN 2.628 nan 8.290 nan 0.000 0.531 1242 G N -2.557 105.688 108.800 -0.925 0.000 2.231 1242 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.206 1242 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.206 1242 G C 0.093 174.097 174.900 -1.494 0.000 0.996 1242 G CA 0.159 44.242 45.100 -1.694 0.000 0.645 1242 G HN 1.242 nan 8.290 nan 0.000 0.498 1243 F N 1.041 120.751 119.950 -0.399 0.000 2.659 1243 F HA 0.616 5.143 4.527 0.000 0.000 0.342 1243 F C 0.816 176.551 175.800 -0.108 0.000 1.168 1243 F CA -0.111 57.696 58.000 -0.321 0.000 1.003 1243 F CB 1.653 40.561 39.000 -0.154 0.000 1.267 1243 F HN 1.085 nan 8.300 nan 0.000 0.463 1244 G N 2.482 111.299 108.800 0.029 0.000 2.828 1244 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.463 1244 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.463 1244 G C -1.217 173.612 174.900 -0.118 0.000 1.394 1244 G CA -0.638 44.492 45.100 0.049 0.000 0.862 1244 G HN 0.763 nan 8.290 nan 0.000 0.540 1245 M N 1.784 121.299 119.600 -0.142 0.000 2.294 1245 M HA 0.589 5.069 4.480 -0.000 0.000 0.335 1245 M C 0.487 176.635 176.300 -0.253 0.000 1.079 1245 M CA -0.881 54.268 55.300 -0.251 0.000 0.982 1245 M CB 1.012 33.484 32.600 -0.215 0.000 1.651 1245 M HN 0.926 nan 8.290 nan 0.000 0.437 1246 H N 2.233 121.056 119.070 -0.411 0.000 2.567 1246 H HA 0.419 4.975 4.556 -0.000 0.000 0.345 1246 H C 0.342 175.475 175.328 -0.326 0.000 1.169 1246 H CA -1.029 54.697 56.048 -0.536 0.000 1.227 1246 H CB 1.198 30.391 29.762 -0.947 0.000 1.607 1246 H HN 0.845 nan 8.280 nan 0.000 0.534 1247 R N 0.539 120.976 120.500 -0.105 0.000 2.159 1247 R HA -0.259 4.081 4.340 -0.000 0.000 0.252 1247 R C 0.843 177.058 176.300 -0.141 0.000 1.144 1247 R CA 2.637 58.638 56.100 -0.165 0.000 0.961 1247 R CB -0.344 29.895 30.300 -0.101 0.000 0.877 1247 R HN 0.748 nan 8.270 nan 0.000 0.444 1248 D N -0.466 119.834 120.400 -0.167 0.000 2.087 1248 D HA -0.154 4.486 4.640 -0.000 0.000 0.192 1248 D C 1.794 178.101 176.300 0.012 0.000 0.993 1248 D CA 1.847 55.779 54.000 -0.112 0.000 0.828 1248 D CB -0.507 40.136 40.800 -0.263 0.000 0.968 1248 D HN 0.419 nan 8.370 nan 0.000 0.448 1249 A N 0.883 123.813 122.820 0.183 0.000 1.903 1249 A HA -0.214 4.106 4.320 -0.000 0.000 0.219 1249 A C 2.279 179.818 177.584 -0.077 0.000 1.191 1249 A CA 2.991 55.033 52.037 0.008 0.000 0.638 1249 A CB -1.037 17.871 19.000 -0.153 0.000 0.823 1249 A HN 0.282 nan 8.150 nan 0.000 0.451 1250 A N -1.188 121.554 122.820 -0.130 0.000 2.121 1250 A HA -0.079 4.241 4.320 -0.000 0.000 0.218 1250 A C 2.156 179.694 177.584 -0.075 0.000 1.154 1250 A CA 1.530 53.458 52.037 -0.182 0.000 0.679 1250 A CB -0.443 18.311 19.000 -0.409 0.000 0.795 1250 A HN 0.609 nan 8.150 nan 0.000 0.458 1251 R N -0.677 119.802 120.500 -0.035 0.000 2.052 1251 R HA -0.018 4.322 4.340 -0.000 0.000 0.224 1251 R C 2.343 178.655 176.300 0.020 0.000 1.149 1251 R CA 1.271 57.407 56.100 0.060 0.000 0.962 1251 R CB -0.687 29.644 30.300 0.052 0.000 0.856 1251 R HN 0.393 nan 8.270 nan 0.000 0.433 1252 G N 0.291 109.084 108.800 -0.013 0.000 2.442 1252 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.219 1252 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.219 1252 G C 1.518 176.388 174.900 -0.050 0.000 1.141 1252 G CA 0.894 45.976 45.100 -0.030 0.000 0.763 1252 G HN 0.503 nan 8.290 nan 0.000 0.554 1253 A N 0.813 123.594 122.820 -0.065 0.000 1.873 1253 A HA -0.018 4.302 4.320 -0.000 0.000 0.218 1253 A C 2.450 179.982 177.584 -0.087 0.000 1.193 1253 A CA 1.583 53.563 52.037 -0.094 0.000 0.629 1253 A CB -0.546 18.387 19.000 -0.111 0.000 0.826 1253 A HN 0.363 nan 8.150 nan 0.000 0.447 1254 L N -1.177 120.020 121.223 -0.044 0.000 2.093 1254 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 1254 L C 2.590 179.437 176.870 -0.038 0.000 1.085 1254 L CA 1.562 56.383 54.840 -0.031 0.000 0.755 1254 L CB -0.489 41.598 42.059 0.046 0.000 0.904 1254 L HN 0.448 nan 8.230 nan 0.000 0.435 1255 E N 0.784 120.969 120.200 -0.026 0.000 2.118 1255 E HA -0.204 4.146 4.350 -0.000 0.000 0.195 1255 E C 1.974 178.544 176.600 -0.049 0.000 0.992 1255 E CA 1.396 57.779 56.400 -0.029 0.000 0.804 1255 E CB -0.049 29.638 29.700 -0.022 0.000 0.741 1255 E HN 0.396 nan 8.360 nan 0.000 0.458 1256 A N -1.354 121.425 122.820 -0.068 0.000 2.251 1256 A HA 0.411 4.731 4.320 -0.000 0.000 0.209 1256 A C 1.635 179.159 177.584 -0.101 0.000 1.187 1256 A CA 0.902 52.889 52.037 -0.083 0.000 0.823 1256 A CB -0.231 18.713 19.000 -0.093 0.000 0.846 1256 A HN 0.435 nan 8.150 nan 0.000 0.486 1257 G N -2.190 106.546 108.800 -0.108 0.000 2.229 1257 G HA2 0.178 4.138 3.960 -0.000 0.000 0.189 1257 G HA3 0.178 4.138 3.960 -0.000 0.000 0.189 1257 G C 0.458 175.229 174.900 -0.215 0.000 1.000 1257 G CA -0.046 44.974 45.100 -0.134 0.000 0.663 1257 G HN 1.464 nan 8.290 nan 0.000 0.493 1258 A N 0.555 123.240 122.820 -0.225 0.000 2.540 1258 A HA 0.586 4.906 4.320 -0.000 0.000 0.239 1258 A C 1.555 178.923 177.584 -0.360 0.000 1.061 1258 A CA 1.585 53.435 52.037 -0.310 0.000 0.758 1258 A CB 0.603 19.460 19.000 -0.239 0.000 0.991 1258 A HN 1.553 nan 8.150 nan 0.000 0.502 1259 G N -0.230 108.179 108.800 -0.651 0.000 2.944 1259 G HA2 0.354 4.314 3.960 -0.000 0.000 0.220 1259 G HA3 0.354 4.314 3.960 -0.000 0.000 0.220 1259 G C 0.084 174.711 174.900 -0.456 0.000 1.100 1259 G CA 0.846 45.488 45.100 -0.763 0.000 0.780 1259 G HN 1.159 nan 8.290 nan 0.000 0.539 1260 C N 0.513 119.581 119.300 -0.386 0.000 2.931 1260 C HA 0.680 5.140 4.460 -0.000 0.000 0.370 1260 C C -1.924 173.030 174.990 -0.060 0.000 1.071 1260 C CA -1.004 57.976 59.018 -0.064 0.000 1.266 1260 C CB 0.710 28.404 27.740 -0.076 0.000 1.691 1260 C HN 0.025 nan 8.230 nan 0.000 0.511 1261 L N 5.559 126.802 121.223 0.032 0.000 2.280 1261 L HA 0.603 4.943 4.340 -0.000 0.000 0.287 1261 L C 0.908 177.795 176.870 0.028 0.000 1.023 1261 L CA 0.358 55.189 54.840 -0.015 0.000 0.819 1261 L CB 1.568 43.609 42.059 -0.031 0.000 1.212 1261 L HN 0.888 nan 8.230 nan 0.000 0.420 1262 T N 1.586 116.157 114.554 0.029 0.000 2.902 1262 T HA 0.831 5.181 4.350 -0.000 0.000 0.283 1262 T C 0.472 175.186 174.700 0.024 0.000 1.009 1262 T CA -0.651 61.500 62.100 0.086 0.000 1.051 1262 T CB 1.443 70.435 68.868 0.206 0.000 0.999 1262 T HN 0.307 nan 8.240 nan 0.000 0.474 1263 L N 1.296 122.514 121.223 -0.007 0.000 2.790 1263 L HA 0.926 5.266 4.340 -0.000 0.000 0.219 1263 L C 1.263 178.046 176.870 -0.145 0.000 2.006 1263 L CA -0.732 54.052 54.840 -0.093 0.000 2.500 1263 L CB 0.326 42.272 42.059 -0.187 0.000 2.732 1263 L HN 1.022 nan 8.230 nan 0.000 0.605 1264 G N -1.277 107.382 108.800 -0.235 0.000 2.564 1264 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.139 1264 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.139 1264 G C 0.045 174.804 174.900 -0.236 0.000 1.147 1264 G CA 0.247 45.097 45.100 -0.415 0.000 1.031 1264 G HN 0.386 nan 8.290 nan 0.000 0.482 1265 N N 0.412 118.937 118.700 -0.291 0.000 2.058 1265 N HA -0.211 4.529 4.740 -0.000 0.000 0.200 1265 N C 1.351 176.840 175.510 -0.034 0.000 1.033 1265 N CA 2.395 55.427 53.050 -0.030 0.000 0.880 1265 N CB -0.424 38.146 38.487 0.137 0.000 1.069 1265 N HN 0.578 nan 8.380 nan 0.000 0.461 1266 H N -0.363 118.753 119.070 0.077 0.000 2.568 1266 H HA 0.447 5.003 4.556 -0.000 0.000 0.302 1266 H C 1.286 176.638 175.328 0.040 0.000 1.065 1266 H CA 0.308 56.428 56.048 0.120 0.000 1.140 1266 H CB -0.044 29.630 29.762 -0.146 0.000 1.474 1266 H HN 0.349 nan 8.280 nan 0.000 0.545 1267 A N -0.004 122.743 122.820 -0.121 0.000 2.194 1267 A HA -0.173 4.147 4.320 -0.000 0.000 0.220 1267 A C 0.721 177.890 177.584 -0.692 0.000 1.162 1267 A CA 1.086 52.807 52.037 -0.528 0.000 0.674 1267 A CB -0.578 17.893 19.000 -0.882 0.000 0.789 1267 A HN 0.659 nan 8.150 nan 0.000 0.470 1268 W N -2.729 118.652 121.300 0.136 0.000 2.862 1268 W HA 0.303 4.963 4.660 0.000 0.000 0.376 1268 W C 1.431 178.015 176.519 0.109 0.000 1.028 1268 W CA -0.395 56.958 57.345 0.013 0.000 1.757 1268 W CB -0.193 29.259 29.460 -0.013 0.000 1.128 1268 W HN 0.381 nan 8.180 nan 0.000 0.566 1269 H N -0.752 118.468 119.070 0.250 0.000 2.524 1269 H HA -0.023 4.533 4.556 -0.000 0.000 0.282 1269 H C 0.105 175.551 175.328 0.196 0.000 1.016 1269 H CA 1.063 57.256 56.048 0.241 0.000 1.270 1269 H CB 0.390 30.339 29.762 0.312 0.000 1.394 1269 H HN 0.005 nan 8.280 nan 0.000 0.568 1270 H N 1.655 120.840 119.070 0.192 0.000 2.708 1270 H HA 0.036 4.592 4.556 -0.000 0.000 0.320 1270 H C 1.034 176.424 175.328 0.104 0.000 0.991 1270 H CA -0.476 55.651 56.048 0.133 0.000 1.243 1270 H CB 1.183 31.006 29.762 0.101 0.000 1.446 1270 H HN 0.142 nan 8.280 nan 0.000 0.502 1271 K N 3.731 124.149 120.400 0.031 0.000 2.127 1271 K HA -0.253 4.067 4.320 -0.000 0.000 0.212 1271 K C 0.529 177.275 176.600 0.244 0.000 1.050 1271 K CA 2.088 58.489 56.287 0.189 0.000 0.929 1271 K CB -0.471 32.087 32.500 0.096 0.000 0.715 1271 K HN 0.457 nan 8.250 nan 0.000 0.457 1272 D N 0.985 121.576 120.400 0.318 0.000 2.280 1272 D HA -0.128 4.512 4.640 -0.000 0.000 0.206 1272 D C 1.874 178.242 176.300 0.113 0.000 0.988 1272 D CA 1.427 55.569 54.000 0.237 0.000 0.886 1272 D CB -0.258 40.697 40.800 0.258 0.000 0.914 1272 D HN 0.444 nan 8.370 nan 0.000 0.473 1273 I N -0.486 120.113 120.570 0.048 0.000 2.361 1273 I HA -0.274 3.896 4.170 -0.000 0.000 0.251 1273 I C 1.552 177.619 176.117 -0.083 0.000 1.133 1273 I CA 0.826 62.061 61.300 -0.108 0.000 1.413 1273 I CB -0.193 37.656 38.000 -0.253 0.000 1.073 1273 I HN 0.063 nan 8.210 nan 0.000 0.424 1274 Y N 0.888 121.299 120.300 0.185 0.000 2.184 1274 Y HA -0.062 4.488 4.550 -0.000 0.000 0.290 1274 Y C -0.045 175.928 175.900 0.121 0.000 1.129 1274 Y CA 0.740 58.944 58.100 0.173 0.000 1.144 1274 Y CB -2.264 36.277 38.460 0.136 0.000 0.995 1274 Y HN 0.172 nan 8.280 nan 0.000 0.513 1275 P HA -0.183 nan 4.420 nan 0.000 0.216 1275 P C 1.501 178.892 177.300 0.152 0.000 1.153 1275 P CA 1.867 65.070 63.100 0.170 0.000 0.848 1275 P CB -0.101 31.684 31.700 0.142 0.000 0.787 1276 M N -0.819 118.857 119.600 0.126 0.000 2.080 1276 M HA -0.130 4.350 4.480 -0.000 0.000 0.260 1276 M C 2.483 178.878 176.300 0.159 0.000 1.068 1276 M CA 1.789 57.175 55.300 0.145 0.000 1.109 1276 M CB -1.024 31.567 32.600 -0.014 0.000 1.342 1276 M HN -0.139 nan 8.290 nan 0.000 0.405 1277 L N -0.912 120.382 121.223 0.119 0.000 2.131 1277 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 1277 L C 2.739 179.684 176.870 0.125 0.000 1.092 1277 L CA 0.950 55.863 54.840 0.121 0.000 0.759 1277 L CB -0.556 41.587 42.059 0.141 0.000 0.903 1277 L HN 0.325 nan 8.230 nan 0.000 0.435 1278 S N -0.017 115.766 115.700 0.138 0.000 2.362 1278 S HA -0.161 4.309 4.470 -0.000 0.000 0.221 1278 S C 1.742 176.392 174.600 0.083 0.000 1.032 1278 S CA 1.134 59.399 58.200 0.109 0.000 0.973 1278 S CB -0.113 63.156 63.200 0.115 0.000 0.849 1278 S HN 0.596 nan 8.310 nan 0.000 0.465 1279 E N 0.757 121.015 120.200 0.097 0.000 2.515 1279 E HA -0.112 4.238 4.350 -0.000 0.000 0.201 1279 E C -0.034 176.595 176.600 0.048 0.000 1.071 1279 E CA 0.698 57.141 56.400 0.072 0.000 0.880 1279 E CB -0.581 29.173 29.700 0.090 0.000 0.828 1279 E HN 0.341 nan 8.360 nan 0.000 0.540 1280 D N 1.618 122.056 120.400 0.063 0.000 2.779 1280 D HA -0.196 4.444 4.640 -0.000 0.000 0.223 1280 D C 0.575 176.870 176.300 -0.008 0.000 1.227 1280 D CA 1.383 55.403 54.000 0.034 0.000 0.653 1280 D CB -0.771 40.032 40.800 0.005 0.000 0.973 1280 D HN 0.562 nan 8.370 nan 0.000 0.402 1281 T N -2.663 111.879 114.554 -0.021 0.000 3.151 1281 T HA 0.074 4.424 4.350 -0.000 0.000 0.239 1281 T C 1.127 175.725 174.700 -0.170 0.000 0.979 1281 T CA -0.179 61.815 62.100 -0.176 0.000 1.194 1281 T CB -0.341 68.290 68.868 -0.395 0.000 0.982 1281 T HN 0.121 nan 8.240 nan 0.000 0.428 1282 Y N 4.370 124.677 120.300 0.011 0.000 2.511 1282 Y HA 0.344 4.893 4.550 -0.000 0.000 0.332 1282 Y C -2.058 173.866 175.900 0.040 0.000 1.177 1282 Y CA -2.479 55.634 58.100 0.022 0.000 1.422 1282 Y CB -0.153 38.314 38.460 0.011 0.000 1.271 1282 Y HN 0.201 nan 8.280 nan 0.000 0.550 1283 P HA 0.165 nan 4.420 nan 0.000 0.244 1283 P C -0.617 176.835 177.300 0.254 0.000 1.769 1283 P CA 0.472 63.725 63.100 0.255 0.000 1.102 1283 P CB -0.237 31.738 31.700 0.458 0.000 1.937 1284 I N 2.181 122.853 120.570 0.170 0.000 2.437 1284 I HA 0.373 4.543 4.170 -0.000 0.000 0.298 1284 I C 0.171 176.352 176.117 0.106 0.000 0.984 1284 I CA -1.116 60.250 61.300 0.109 0.000 1.214 1284 I CB 2.250 40.276 38.000 0.044 0.000 1.365 1284 I HN -0.050 nan 8.210 nan 0.000 0.469 1285 V N 5.508 125.487 119.914 0.108 0.000 2.588 1285 V HA 0.549 4.669 4.120 -0.000 0.000 0.304 1285 V C -0.423 175.722 176.094 0.086 0.000 1.042 1285 V CA -0.759 61.618 62.300 0.129 0.000 0.877 1285 V CB 1.865 33.816 31.823 0.212 0.000 0.996 1285 V HN 0.835 nan 8.190 nan 0.000 0.425 1286 R N 4.231 124.787 120.500 0.093 0.000 2.919 1286 R HA 0.767 5.107 4.340 -0.000 0.000 0.260 1286 R C -3.154 173.264 176.300 0.197 0.000 1.067 1286 R CA -2.744 53.401 56.100 0.074 0.000 1.003 1286 R CB -0.539 29.742 30.300 -0.032 0.000 1.192 1286 R HN 0.312 nan 8.270 nan 0.000 0.488 1287 P HA -0.088 nan 4.420 nan 0.000 0.256 1287 P C 0.232 177.676 177.300 0.240 0.000 1.173 1287 P CA 0.213 63.416 63.100 0.171 0.000 0.768 1287 P CB 0.248 31.939 31.700 -0.014 0.000 0.758 1288 L N 5.133 126.473 121.223 0.195 0.000 2.141 1288 L HA -0.118 4.222 4.340 -0.000 0.000 0.209 1288 L C 1.418 178.390 176.870 0.171 0.000 1.094 1288 L CA 1.594 56.570 54.840 0.227 0.000 0.763 1288 L CB -0.641 41.551 42.059 0.222 0.000 0.908 1288 L HN 0.307 nan 8.230 nan 0.000 0.437 1289 N N -1.168 117.566 118.700 0.057 0.000 2.509 1289 N HA -0.126 4.614 4.740 -0.000 0.000 0.239 1289 N C -0.944 174.567 175.510 0.003 0.000 1.215 1289 N CA -0.085 52.980 53.050 0.025 0.000 0.882 1289 N CB -0.745 37.737 38.487 -0.008 0.000 1.189 1289 N HN 0.273 nan 8.380 nan 0.000 0.490 1290 Y N 0.688 121.079 120.300 0.151 0.000 2.477 1290 Y HA 0.418 4.968 4.550 -0.000 0.000 0.349 1290 Y C 1.373 177.339 175.900 0.111 0.000 0.977 1290 Y CA -0.953 57.233 58.100 0.143 0.000 1.214 1290 Y CB 1.241 39.817 38.460 0.193 0.000 1.124 1290 Y HN 0.245 nan 8.280 nan 0.000 0.521 1291 A N 2.161 125.120 122.820 0.233 0.000 2.015 1291 A HA -0.145 4.175 4.320 -0.000 0.000 0.219 1291 A C 0.830 178.490 177.584 0.128 0.000 1.163 1291 A CA 0.709 52.838 52.037 0.154 0.000 0.646 1291 A CB -0.527 18.540 19.000 0.111 0.000 0.806 1291 A HN 0.764 nan 8.150 nan 0.000 0.448 1292 D N -0.043 120.430 120.400 0.121 0.000 2.502 1292 D HA 0.136 4.776 4.640 -0.000 0.000 0.249 1292 D C -1.532 174.807 176.300 0.065 0.000 1.188 1292 D CA -0.973 53.064 54.000 0.062 0.000 0.890 1292 D CB 0.790 41.596 40.800 0.010 0.000 1.140 1292 D HN 0.086 nan 8.370 nan 0.000 0.505 1293 P HA -0.021 nan 4.420 nan 0.000 0.219 1293 P C 0.896 178.222 177.300 0.044 0.000 1.146 1293 P CA 0.827 63.961 63.100 0.057 0.000 0.808 1293 P CB 0.301 32.028 31.700 0.045 0.000 0.779 1294 G N -0.807 108.003 108.800 0.017 0.000 3.448 1294 G HA2 0.076 4.036 3.960 -0.000 0.000 0.261 1294 G HA3 0.076 4.036 3.960 -0.000 0.000 0.261 1294 G C 0.111 175.002 174.900 -0.014 0.000 1.173 1294 G CA -0.074 45.027 45.100 0.002 0.000 0.835 1294 G HN 0.250 nan 8.290 nan 0.000 0.534 1295 T N -0.088 114.466 114.554 0.001 0.000 2.884 1295 T HA 0.491 4.841 4.350 -0.000 0.000 0.298 1295 T C -2.279 172.468 174.700 0.078 0.000 0.998 1295 T CA -1.440 60.641 62.100 -0.031 0.000 1.124 1295 T CB 1.863 70.716 68.868 -0.024 0.000 0.931 1295 T HN -0.098 nan 8.240 nan 0.000 0.531 1296 P HA 0.455 nan 4.420 nan 0.000 0.271 1296 P C 1.054 178.535 177.300 0.302 0.000 1.233 1296 P CA 0.726 63.979 63.100 0.255 0.000 0.789 1296 P CB -0.223 31.725 31.700 0.413 0.000 0.951 1297 G N -0.814 108.108 108.800 0.203 0.000 2.641 1297 G HA2 0.012 3.972 3.960 -0.000 0.000 0.254 1297 G HA3 0.012 3.972 3.960 -0.000 0.000 0.254 1297 G C -0.620 174.338 174.900 0.096 0.000 1.315 1297 G CA -0.125 45.056 45.100 0.135 0.000 0.907 1297 G HN 0.812 nan 8.290 nan 0.000 0.572 1298 V N -3.401 116.546 119.914 0.055 0.000 3.078 1298 V HA 0.870 4.990 4.120 -0.000 0.000 0.311 1298 V C 1.123 177.261 176.094 0.073 0.000 1.138 1298 V CA 0.348 62.641 62.300 -0.011 0.000 1.007 1298 V CB 1.318 33.011 31.823 -0.216 0.000 1.045 1298 V HN 2.162 nan 8.190 nan 0.000 0.432 1299 G N 0.778 109.661 108.800 0.139 0.000 2.985 1299 G HA2 0.328 4.288 3.960 -0.000 0.000 0.209 1299 G HA3 0.328 4.288 3.960 -0.000 0.000 0.209 1299 G C 0.124 175.276 174.900 0.420 0.000 1.165 1299 G CA 0.510 45.793 45.100 0.305 0.000 0.776 1299 G HN 1.055 nan 8.290 nan 0.000 0.541 1300 W N -1.210 120.166 121.300 0.128 0.000 3.464 1300 W HA 0.692 5.352 4.660 -0.000 0.000 0.292 1300 W C -1.562 175.030 176.519 0.122 0.000 1.262 1300 W CA -1.634 55.792 57.345 0.135 0.000 1.202 1300 W CB 0.456 29.980 29.460 0.107 0.000 1.334 1300 W HN -0.209 nan 8.180 nan 0.000 0.561 1301 R N 1.849 122.548 120.500 0.331 0.000 2.533 1301 R HA 0.440 4.780 4.340 -0.000 0.000 0.288 1301 R C -0.397 176.105 176.300 0.336 0.000 1.039 1301 R CA -0.550 55.624 56.100 0.123 0.000 0.909 1301 R CB 2.521 32.835 30.300 0.024 0.000 1.195 1301 R HN 0.460 nan 8.270 nan 0.000 0.438 1302 T N 0.403 115.091 114.554 0.224 0.000 2.733 1302 T HA 0.479 4.829 4.350 -0.000 0.000 0.294 1302 T C -0.016 174.739 174.700 0.092 0.000 0.956 1302 T CA -0.438 61.814 62.100 0.253 0.000 0.987 1302 T CB 0.165 69.181 68.868 0.248 0.000 0.920 1302 T HN 0.219 nan 8.240 nan 0.000 0.470 1303 F N 0.959 120.882 119.950 -0.045 0.000 2.403 1303 F HA 0.535 5.062 4.527 -0.000 0.000 0.326 1303 F C 0.540 176.277 175.800 -0.105 0.000 1.099 1303 F CA -1.246 56.698 58.000 -0.094 0.000 1.036 1303 F CB 1.069 39.915 39.000 -0.257 0.000 1.336 1303 F HN 0.405 nan 8.300 nan 0.000 0.497 1304 D N 0.504 120.998 120.400 0.157 0.000 2.440 1304 D HA 0.347 4.987 4.640 -0.000 0.000 0.239 1304 D C 0.430 176.775 176.300 0.076 0.000 1.084 1304 D CA -0.086 53.962 54.000 0.080 0.000 0.843 1304 D CB 1.898 42.742 40.800 0.073 0.000 1.097 1304 D HN 0.125 nan 8.370 nan 0.000 0.531 1305 V N 2.255 122.181 119.914 0.020 0.000 2.403 1305 V HA 0.120 4.240 4.120 -0.000 0.000 0.239 1305 V C 0.644 176.783 176.094 0.076 0.000 1.041 1305 V CA 0.580 62.906 62.300 0.044 0.000 1.051 1305 V CB 0.031 31.855 31.823 0.002 0.000 0.704 1305 V HN 0.474 nan 8.190 nan 0.000 0.472 1306 N N -0.277 118.457 118.700 0.056 0.000 2.697 1306 N HA 0.323 5.063 4.740 -0.000 0.000 0.253 1306 N C 0.660 176.194 175.510 0.040 0.000 1.604 1306 N CA 0.765 53.846 53.050 0.051 0.000 0.772 1306 N CB 1.134 39.651 38.487 0.050 0.000 1.267 1306 N HN 0.523 nan 8.380 nan 0.000 0.510 1307 G N 0.797 109.619 108.800 0.037 0.000 2.189 1307 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.267 1307 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.267 1307 G C 0.006 174.922 174.900 0.028 0.000 0.975 1307 G CA 0.466 45.584 45.100 0.030 0.000 0.644 1307 G HN 0.481 nan 8.290 nan 0.000 0.537 1308 E N -0.515 119.703 120.200 0.030 0.000 2.336 1308 E HA 0.550 4.900 4.350 -0.000 0.000 0.267 1308 E C -0.366 176.246 176.600 0.020 0.000 0.906 1308 E CA -0.942 55.474 56.400 0.025 0.000 0.781 1308 E CB 1.462 31.181 29.700 0.031 0.000 1.261 1308 E HN 0.215 nan 8.360 nan 0.000 0.436 1309 K N 1.360 121.770 120.400 0.016 0.000 2.156 1309 K HA 0.422 4.742 4.320 -0.000 0.000 0.271 1309 K C -1.031 175.567 176.600 -0.003 0.000 0.995 1309 K CA -0.722 55.576 56.287 0.019 0.000 0.890 1309 K CB 1.045 33.563 32.500 0.031 0.000 1.073 1309 K HN 0.125 nan 8.250 nan 0.000 0.454 1310 L N 2.224 123.438 121.223 -0.015 0.000 2.377 1310 L HA 0.307 4.647 4.340 -0.000 0.000 0.270 1310 L C -1.072 175.824 176.870 0.045 0.000 0.991 1310 L CA 0.047 54.852 54.840 -0.059 0.000 0.851 1310 L CB 1.664 43.581 42.059 -0.236 0.000 1.218 1310 L HN 0.501 nan 8.230 nan 0.000 0.420 1311 T N 4.505 119.108 114.554 0.082 0.000 2.743 1311 T HA 0.511 4.861 4.350 -0.000 0.000 0.293 1311 T C -0.245 174.593 174.700 0.230 0.000 0.945 1311 T CA -0.256 61.961 62.100 0.195 0.000 1.030 1311 T CB 1.102 70.049 68.868 0.131 0.000 0.912 1311 T HN 0.338 nan 8.240 nan 0.000 0.483 1312 V N 4.653 124.768 119.914 0.336 0.000 2.370 1312 V HA 0.553 4.673 4.120 -0.000 0.000 0.283 1312 V C -0.046 176.282 176.094 0.389 0.000 1.023 1312 V CA -0.636 61.880 62.300 0.361 0.000 0.857 1312 V CB 1.598 33.614 31.823 0.322 0.000 0.985 1312 V HN 0.653 nan 8.190 nan 0.000 0.443 1313 V N 5.121 125.243 119.914 0.347 0.000 2.735 1313 V HA 0.667 4.787 4.120 -0.000 0.000 0.310 1313 V C -0.791 175.467 176.094 0.273 0.000 1.061 1313 V CA -0.544 61.936 62.300 0.300 0.000 0.913 1313 V CB 2.357 34.288 31.823 0.181 0.000 1.005 1313 V HN 0.938 nan 8.190 nan 0.000 0.428 1314 N N 5.116 123.969 118.700 0.256 0.000 2.372 1314 N HA 0.619 5.359 4.740 -0.000 0.000 0.285 1314 N C -1.422 174.203 175.510 0.192 0.000 1.008 1314 N CA -0.345 52.848 53.050 0.238 0.000 0.880 1314 N CB 1.465 40.086 38.487 0.223 0.000 1.239 1314 N HN 0.765 nan 8.380 nan 0.000 0.484 1315 L N 2.562 123.912 121.223 0.210 0.000 2.323 1315 L HA 0.584 4.924 4.340 -0.000 0.000 0.265 1315 L C -0.876 176.168 176.870 0.289 0.000 1.012 1315 L CA -1.024 53.935 54.840 0.199 0.000 0.820 1315 L CB 1.918 44.041 42.059 0.106 0.000 1.334 1315 L HN 0.366 nan 8.230 nan 0.000 0.427 1316 L N 0.862 122.198 121.223 0.188 0.000 2.341 1316 L HA 0.559 4.899 4.340 -0.000 0.000 0.278 1316 L C 0.440 177.392 176.870 0.137 0.000 1.005 1316 L CA -0.443 54.456 54.840 0.099 0.000 0.818 1316 L CB 1.939 43.958 42.059 -0.068 0.000 1.259 1316 L HN 0.648 nan 8.230 nan 0.000 0.418 1317 G N 1.541 110.276 108.800 -0.108 0.000 2.588 1317 G HA2 0.438 4.398 3.960 -0.000 0.000 0.281 1317 G HA3 0.438 4.398 3.960 -0.000 0.000 0.281 1317 G C 0.336 175.201 174.900 -0.057 0.000 1.236 1317 G CA -0.286 44.721 45.100 -0.154 0.000 0.969 1317 G HN 0.782 nan 8.290 nan 0.000 0.504 1318 R N -1.528 118.960 120.500 -0.019 0.000 2.573 1318 R HA 0.171 4.511 4.340 -0.000 0.000 0.224 1318 R C 0.231 176.496 176.300 -0.058 0.000 0.904 1318 R CA -0.312 55.777 56.100 -0.017 0.000 0.995 1318 R CB 0.341 30.654 30.300 0.023 0.000 1.430 1318 R HN 0.307 nan 8.270 nan 0.000 0.631 1319 V N 3.755 123.600 119.914 -0.115 0.000 2.673 1319 V HA -0.063 4.057 4.120 -0.000 0.000 0.303 1319 V C 0.278 176.239 176.094 -0.221 0.000 1.046 1319 V CA 0.667 62.775 62.300 -0.320 0.000 1.126 1319 V CB -0.336 31.203 31.823 -0.473 0.000 0.934 1319 V HN 0.375 nan 8.190 nan 0.000 0.487 1320 F N 1.152 121.113 119.950 0.018 0.000 3.069 1320 F HA -0.247 4.280 4.527 -0.000 0.000 0.285 1320 F C 0.210 176.020 175.800 0.018 0.000 0.827 1320 F CA 0.837 58.852 58.000 0.023 0.000 1.108 1320 F CB -1.979 37.037 39.000 0.026 0.000 1.252 1320 F HN 0.437 nan 8.300 nan 0.000 0.483 1321 M N -1.408 118.258 119.600 0.109 0.000 2.664 1321 M HA 0.297 4.777 4.480 -0.000 0.000 0.279 1321 M C 0.219 176.551 176.300 0.053 0.000 1.275 1321 M CA -0.916 54.423 55.300 0.065 0.000 0.829 1321 M CB 2.364 34.953 32.600 -0.018 0.000 1.727 1321 M HN 0.060 nan 8.290 nan 0.000 0.459 1322 E N 1.070 121.305 120.200 0.059 0.000 2.437 1322 E HA 0.334 4.684 4.350 -0.000 0.000 0.263 1322 E C -0.811 175.821 176.600 0.054 0.000 1.030 1322 E CA -0.194 56.248 56.400 0.069 0.000 0.934 1322 E CB 0.890 30.647 29.700 0.095 0.000 0.943 1322 E HN 0.611 nan 8.360 nan 0.000 0.444 1323 A N 3.615 126.469 122.820 0.056 0.000 2.363 1323 A HA 0.480 4.800 4.320 -0.000 0.000 0.270 1323 A C -0.134 177.486 177.584 0.061 0.000 1.121 1323 A CA -0.158 51.908 52.037 0.048 0.000 0.800 1323 A CB 0.427 19.453 19.000 0.044 0.000 1.052 1323 A HN 0.555 nan 8.150 nan 0.000 0.493 1324 V N -0.714 119.226 119.914 0.044 0.000 3.109 1324 V HA 0.569 4.689 4.120 -0.000 0.000 0.311 1324 V C -0.381 175.737 176.094 0.040 0.000 1.389 1324 V CA -1.031 61.295 62.300 0.043 0.000 1.034 1324 V CB 0.556 32.351 31.823 -0.047 0.000 1.105 1324 V HN 0.660 nan 8.190 nan 0.000 0.477 1325 D N 1.892 122.315 120.400 0.039 0.000 2.368 1325 D HA 0.129 4.769 4.640 -0.000 0.000 0.240 1325 D C 0.060 176.388 176.300 0.048 0.000 1.169 1325 D CA 0.242 54.272 54.000 0.049 0.000 0.906 1325 D CB 0.425 41.261 40.800 0.060 0.000 1.187 1325 D HN 0.732 nan 8.370 nan 0.000 0.435 1326 N N 2.664 121.402 118.700 0.063 0.000 2.429 1326 N HA -0.029 4.711 4.740 -0.000 0.000 0.271 1326 N C -1.710 173.841 175.510 0.068 0.000 1.272 1326 N CA -1.035 52.071 53.050 0.093 0.000 0.921 1326 N CB 1.106 39.652 38.487 0.098 0.000 1.128 1326 N HN 0.197 nan 8.380 nan 0.000 0.481 1327 P HA -0.140 nan 4.420 nan 0.000 0.217 1327 P C 1.209 178.362 177.300 -0.244 0.000 1.150 1327 P CA 1.205 64.232 63.100 -0.123 0.000 0.832 1327 P CB 0.009 31.623 31.700 -0.143 0.000 0.787 1328 F N 0.798 120.687 119.950 -0.101 0.000 2.075 1328 F HA -0.074 4.453 4.527 -0.000 0.000 0.297 1328 F C 2.898 178.666 175.800 -0.054 0.000 1.113 1328 F CA 1.520 59.411 58.000 -0.181 0.000 1.218 1328 F CB -1.001 37.779 39.000 -0.366 0.000 0.984 1328 F HN -0.231 nan 8.300 nan 0.000 0.472 1329 R N -0.576 120.011 120.500 0.144 0.000 2.148 1329 R HA -0.069 4.271 4.340 -0.000 0.000 0.223 1329 R C 2.078 178.419 176.300 0.069 0.000 1.088 1329 R CA 1.534 57.697 56.100 0.105 0.000 0.985 1329 R CB -0.666 29.678 30.300 0.075 0.000 0.880 1329 R HN 0.212 nan 8.270 nan 0.000 0.451 1330 T N 0.934 115.513 114.554 0.043 0.000 2.746 1330 T HA -0.123 4.227 4.350 -0.000 0.000 0.267 1330 T C 1.737 176.438 174.700 0.001 0.000 1.039 1330 T CA 1.039 63.154 62.100 0.025 0.000 1.142 1330 T CB -0.021 68.859 68.868 0.019 0.000 0.866 1330 T HN 0.063 nan 8.240 nan 0.000 0.444 1331 M N 1.318 120.911 119.600 -0.013 0.000 2.229 1331 M HA -0.039 4.441 4.480 -0.000 0.000 0.264 1331 M C 1.667 177.952 176.300 -0.025 0.000 1.063 1331 M CA 1.122 56.397 55.300 -0.042 0.000 1.114 1331 M CB -1.077 31.485 32.600 -0.064 0.000 1.387 1331 M HN 0.109 nan 8.290 nan 0.000 0.420 1332 D N 0.286 120.715 120.400 0.049 0.000 2.264 1332 D HA -0.016 4.624 4.640 -0.000 0.000 0.208 1332 D C 1.894 178.188 176.300 -0.010 0.000 0.966 1332 D CA 1.210 55.230 54.000 0.034 0.000 0.864 1332 D CB 0.110 40.971 40.800 0.101 0.000 0.933 1332 D HN 0.317 nan 8.370 nan 0.000 0.499 1333 A N 0.295 123.108 122.820 -0.011 0.000 1.878 1333 A HA -0.013 4.307 4.320 -0.000 0.000 0.213 1333 A C 2.079 179.618 177.584 -0.076 0.000 1.192 1333 A CA 0.462 52.484 52.037 -0.025 0.000 0.619 1333 A CB -0.669 18.332 19.000 0.002 0.000 0.837 1333 A HN 0.243 nan 8.150 nan 0.000 0.446 1334 L N -0.273 120.881 121.223 -0.114 0.000 2.265 1334 L HA 0.029 4.369 4.340 -0.000 0.000 0.215 1334 L C 1.486 178.204 176.870 -0.253 0.000 1.117 1334 L CA 1.326 56.023 54.840 -0.239 0.000 0.782 1334 L CB -0.195 41.691 42.059 -0.287 0.000 0.914 1334 L HN 0.357 nan 8.230 nan 0.000 0.441 1335 L N -0.861 120.260 121.223 -0.169 0.000 2.645 1335 L HA 0.067 4.407 4.340 -0.000 0.000 0.234 1335 L C 1.632 178.430 176.870 -0.119 0.000 1.165 1335 L CA 0.136 54.884 54.840 -0.154 0.000 0.944 1335 L CB -0.342 41.638 42.059 -0.133 0.000 1.149 1335 L HN 0.311 nan 8.230 nan 0.000 0.446 1336 E N -0.053 120.081 120.200 -0.110 0.000 2.474 1336 E HA 0.060 4.410 4.350 -0.000 0.000 0.194 1336 E C 0.741 177.292 176.600 -0.082 0.000 1.041 1336 E CA -0.185 56.169 56.400 -0.077 0.000 0.874 1336 E CB 0.557 30.226 29.700 -0.052 0.000 0.914 1336 E HN 0.448 nan 8.360 nan 0.000 0.498 1337 R N 0.879 121.305 120.500 -0.123 0.000 2.896 1337 R HA 0.023 4.363 4.340 -0.000 0.000 0.283 1337 R C 0.750 176.996 176.300 -0.089 0.000 1.201 1337 R CA 0.761 56.791 56.100 -0.117 0.000 1.178 1337 R CB 0.277 30.452 30.300 -0.208 0.000 1.152 1337 R HN 0.118 nan 8.270 nan 0.000 0.590 1338 D N -0.928 119.433 120.400 -0.065 0.000 2.399 1338 D HA -0.064 4.576 4.640 -0.000 0.000 0.269 1338 D C 0.149 176.430 176.300 -0.033 0.000 1.105 1338 D CA 0.144 54.117 54.000 -0.045 0.000 0.844 1338 D CB 0.011 40.796 40.800 -0.025 0.000 1.372 1338 D HN 0.525 nan 8.370 nan 0.000 0.517 1339 D N 1.297 121.683 120.400 -0.022 0.000 2.319 1339 D HA 0.041 4.681 4.640 -0.000 0.000 0.230 1339 D C 1.863 178.167 176.300 0.006 0.000 1.094 1339 D CA -0.144 53.860 54.000 0.007 0.000 0.856 1339 D CB -0.093 40.734 40.800 0.045 0.000 0.915 1339 D HN 0.230 nan 8.370 nan 0.000 0.517 1340 L N 0.153 121.352 121.223 -0.041 0.000 2.023 1340 L HA 0.128 4.468 4.340 -0.000 0.000 0.205 1340 L C 1.988 178.843 176.870 -0.025 0.000 1.073 1340 L CA 1.039 55.851 54.840 -0.045 0.000 0.745 1340 L CB -1.011 40.977 42.059 -0.119 0.000 0.900 1340 L HN 0.377 nan 8.230 nan 0.000 0.435 1341 G N -0.235 108.541 108.800 -0.040 0.000 2.536 1341 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.277 1341 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.277 1341 G C 0.147 175.005 174.900 -0.070 0.000 1.155 1341 G CA 0.079 45.155 45.100 -0.039 0.000 0.960 1341 G HN 0.202 nan 8.290 nan 0.000 0.544 1342 T N 1.912 116.417 114.554 -0.082 0.000 2.738 1342 T HA 0.501 4.851 4.350 -0.000 0.000 0.294 1342 T C 0.321 174.912 174.700 -0.181 0.000 0.914 1342 T CA 0.072 62.070 62.100 -0.169 0.000 1.052 1342 T CB 1.116 69.867 68.868 -0.196 0.000 0.897 1342 T HN 0.791 nan 8.240 nan 0.000 0.522 1343 V N 5.078 124.881 119.914 -0.186 0.000 2.439 1343 V HA 0.531 4.651 4.120 -0.000 0.000 0.282 1343 V C -0.298 175.725 176.094 -0.118 0.000 1.039 1343 V CA -0.920 61.312 62.300 -0.113 0.000 0.913 1343 V CB 0.899 32.656 31.823 -0.109 0.000 0.983 1343 V HN 0.762 nan 8.190 nan 0.000 0.460 1344 F N 5.142 125.014 119.950 -0.130 0.000 2.508 1344 F HA 0.794 5.321 4.527 -0.000 0.000 0.325 1344 F C -0.605 175.190 175.800 -0.007 0.000 1.090 1344 F CA -0.661 57.303 58.000 -0.060 0.000 0.945 1344 F CB 1.893 40.926 39.000 0.056 0.000 1.156 1344 F HN 0.256 nan 8.300 nan 0.000 0.463 1345 V N 4.552 124.113 119.914 -0.589 0.000 2.531 1345 V HA 0.272 4.392 4.120 -0.000 0.000 0.301 1345 V C -1.206 174.696 176.094 -0.320 0.000 1.034 1345 V CA -0.819 61.328 62.300 -0.255 0.000 0.865 1345 V CB 1.568 33.253 31.823 -0.231 0.000 0.995 1345 V HN 0.684 nan 8.190 nan 0.000 0.424 1346 D N 4.125 124.588 120.400 0.105 0.000 2.428 1346 D HA 0.199 4.839 4.640 -0.000 0.000 0.221 1346 D C -0.925 175.526 176.300 0.251 0.000 1.123 1346 D CA -0.411 53.700 54.000 0.185 0.000 0.869 1346 D CB 0.795 41.884 40.800 0.482 0.000 1.032 1346 D HN 0.229 nan 8.370 nan 0.000 0.506 1347 F N 5.110 125.042 119.950 -0.030 0.000 2.375 1347 F HA 0.194 4.721 4.527 -0.000 0.000 0.362 1347 F C -0.249 175.587 175.800 0.059 0.000 1.129 1347 F CA -0.864 57.130 58.000 -0.010 0.000 1.154 1347 F CB 0.192 39.148 39.000 -0.072 0.000 1.205 1347 F HN 0.410 nan 8.300 nan 0.000 0.513 1348 H N 5.882 124.973 119.070 0.035 0.000 2.872 1348 H HA 0.621 5.177 4.556 -0.000 0.000 0.273 1348 H C -0.957 174.166 175.328 -0.341 0.000 1.205 1348 H CA 0.074 56.085 56.048 -0.062 0.000 1.342 1348 H CB 0.417 30.215 29.762 0.060 0.000 1.469 1348 H HN 0.768 nan 8.280 nan 0.000 0.487 1349 A N 3.543 126.022 122.820 -0.567 0.000 2.552 1349 A HA 0.333 4.653 4.320 -0.000 0.000 0.288 1349 A C 0.426 177.806 177.584 -0.340 0.000 1.193 1349 A CA -0.589 51.094 52.037 -0.589 0.000 0.713 1349 A CB 1.599 20.034 19.000 -0.942 0.000 1.305 1349 A HN 0.604 nan 8.150 nan 0.000 0.424 1350 E N -0.704 119.386 120.200 -0.183 0.000 2.332 1350 E HA 0.417 4.766 4.350 -0.000 0.000 0.202 1350 E C 0.610 177.277 176.600 0.111 0.000 0.877 1350 E CA 0.843 57.280 56.400 0.061 0.000 0.979 1350 E CB 0.469 30.266 29.700 0.161 0.000 0.969 1350 E HN 0.973 nan 8.360 nan 0.000 0.495 1351 A N 0.909 123.807 122.820 0.130 0.000 2.362 1351 A HA 0.336 4.656 4.320 -0.000 0.000 0.276 1351 A C 1.183 178.839 177.584 0.120 0.000 1.153 1351 A CA 0.250 52.405 52.037 0.196 0.000 0.813 1351 A CB 0.256 19.356 19.000 0.167 0.000 1.081 1351 A HN 0.375 nan 8.150 nan 0.000 0.507 1352 T N 0.478 115.111 114.554 0.132 0.000 2.759 1352 T HA -0.231 4.119 4.350 -0.000 0.000 0.269 1352 T C 1.951 176.750 174.700 0.165 0.000 1.042 1352 T CA 2.020 64.198 62.100 0.129 0.000 1.140 1352 T CB -0.686 68.250 68.868 0.114 0.000 0.864 1352 T HN 1.081 nan 8.240 nan 0.000 0.455 1353 S N 1.632 117.426 115.700 0.156 0.000 2.383 1353 S HA -0.133 4.337 4.470 -0.000 0.000 0.227 1353 S C 2.116 176.838 174.600 0.203 0.000 1.026 1353 S CA 1.202 59.496 58.200 0.157 0.000 0.981 1353 S CB -0.550 62.719 63.200 0.115 0.000 0.818 1353 S HN 0.714 nan 8.310 nan 0.000 0.472 1354 E N 1.222 121.548 120.200 0.210 0.000 2.152 1354 E HA -0.073 4.277 4.350 -0.000 0.000 0.192 1354 E C 2.003 178.892 176.600 0.483 0.000 0.983 1354 E CA 0.709 57.318 56.400 0.348 0.000 0.818 1354 E CB -0.019 29.829 29.700 0.247 0.000 0.758 1354 E HN 0.584 nan 8.360 nan 0.000 0.467 1355 K N 0.460 121.059 120.400 0.331 0.000 2.001 1355 K HA -0.112 4.208 4.320 -0.000 0.000 0.208 1355 K C 2.114 178.962 176.600 0.413 0.000 1.048 1355 K CA 1.416 57.954 56.287 0.418 0.000 0.932 1355 K CB -0.036 32.612 32.500 0.246 0.000 0.715 1355 K HN 0.156 nan 8.250 nan 0.000 0.437 1356 E N 0.690 121.069 120.200 0.299 0.000 2.118 1356 E HA -0.197 4.153 4.350 -0.000 0.000 0.195 1356 E C 2.057 178.736 176.600 0.132 0.000 0.992 1356 E CA 1.085 57.547 56.400 0.104 0.000 0.804 1356 E CB -0.129 29.694 29.700 0.205 0.000 0.741 1356 E HN 0.314 nan 8.360 nan 0.000 0.458 1357 A N 1.266 124.275 122.820 0.315 0.000 1.933 1357 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 1357 A C 2.127 179.994 177.584 0.471 0.000 1.175 1357 A CA 1.483 53.753 52.037 0.388 0.000 0.628 1357 A CB -0.354 18.844 19.000 0.329 0.000 0.814 1357 A HN 0.166 nan 8.150 nan 0.000 0.444 1358 M N 0.456 120.297 119.600 0.402 0.000 2.229 1358 M HA 0.035 4.515 4.480 -0.000 0.000 0.264 1358 M C 1.891 178.199 176.300 0.014 0.000 1.063 1358 M CA 1.465 56.821 55.300 0.093 0.000 1.114 1358 M CB -1.020 31.280 32.600 -0.498 0.000 1.387 1358 M HN 0.305 nan 8.290 nan 0.000 0.420 1359 G N -0.854 107.876 108.800 -0.116 0.000 2.453 1359 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.215 1359 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.215 1359 G C 1.289 175.980 174.900 -0.349 0.000 1.201 1359 G CA 0.866 45.709 45.100 -0.428 0.000 0.784 1359 G HN 0.657 nan 8.290 nan 0.000 0.545 1360 W N -0.044 121.173 121.300 -0.138 0.000 2.350 1360 W HA -0.055 4.605 4.660 -0.000 0.000 0.289 1360 W C 2.461 178.990 176.519 0.016 0.000 1.215 1360 W CA 0.915 58.220 57.345 -0.067 0.000 1.236 1360 W CB -0.275 29.155 29.460 -0.050 0.000 1.130 1360 W HN 0.387 nan 8.180 nan 0.000 0.541 1361 H N -0.267 118.914 119.070 0.184 0.000 2.357 1361 H HA -0.123 4.433 4.556 -0.000 0.000 0.301 1361 H C 1.843 177.199 175.328 0.047 0.000 1.082 1361 H CA 1.682 57.813 56.048 0.138 0.000 1.342 1361 H CB -0.275 29.632 29.762 0.242 0.000 1.389 1361 H HN -0.069 nan 8.280 nan 0.000 0.511 1362 L N 0.680 121.829 121.223 -0.124 0.000 2.509 1362 L HA 0.322 4.662 4.340 -0.000 0.000 0.222 1362 L C 0.985 177.770 176.870 -0.142 0.000 1.123 1362 L CA 0.735 55.448 54.840 -0.212 0.000 0.856 1362 L CB -1.245 40.701 42.059 -0.188 0.000 0.985 1362 L HN 0.296 nan 8.230 nan 0.000 0.456 1363 A N -0.034 122.734 122.820 -0.086 0.000 2.540 1363 A HA 0.387 4.707 4.320 -0.000 0.000 0.264 1363 A C 1.500 179.067 177.584 -0.029 0.000 1.080 1363 A CA 0.939 52.945 52.037 -0.052 0.000 0.776 1363 A CB -0.826 18.184 19.000 0.017 0.000 1.011 1363 A HN 0.699 nan 8.150 nan 0.000 0.514 1364 G N 2.453 111.229 108.800 -0.041 0.000 2.231 1364 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.206 1364 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.206 1364 G C 0.586 175.453 174.900 -0.056 0.000 0.996 1364 G CA 0.292 45.372 45.100 -0.032 0.000 0.645 1364 G HN 1.365 nan 8.290 nan 0.000 0.498 1365 R N -0.835 119.613 120.500 -0.087 0.000 2.538 1365 R HA 0.657 4.997 4.340 -0.000 0.000 0.372 1365 R C -0.164 176.063 176.300 -0.121 0.000 0.950 1365 R CA -0.077 55.962 56.100 -0.101 0.000 1.168 1365 R CB 1.022 31.253 30.300 -0.115 0.000 1.542 1365 R HN 0.353 nan 8.270 nan 0.000 0.536 1366 V N 0.060 119.899 119.914 -0.126 0.000 3.114 1366 V HA 0.528 4.648 4.120 -0.000 0.000 0.308 1366 V C -0.026 175.979 176.094 -0.147 0.000 1.168 1366 V CA -0.406 61.802 62.300 -0.153 0.000 1.015 1366 V CB 2.105 33.825 31.823 -0.171 0.000 1.050 1366 V HN 0.184 nan 8.190 nan 0.000 0.433 1367 A N 1.676 124.372 122.820 -0.208 0.000 2.220 1367 A HA 0.860 5.180 4.320 -0.000 0.000 0.211 1367 A C 0.661 178.223 177.584 -0.035 0.000 1.176 1367 A CA 0.795 52.723 52.037 -0.182 0.000 0.834 1367 A CB 0.158 18.840 19.000 -0.530 0.000 0.868 1367 A HN 1.592 nan 8.150 nan 0.000 0.488 1368 A N -1.298 121.434 122.820 -0.147 0.000 2.594 1368 A HA 0.572 4.892 4.320 -0.000 0.000 0.296 1368 A C -1.569 175.750 177.584 -0.441 0.000 1.061 1368 A CA -0.281 51.647 52.037 -0.181 0.000 0.689 1368 A CB 1.017 20.006 19.000 -0.017 0.000 1.280 1368 A HN 0.575 nan 8.150 nan 0.000 0.406 1369 V N 2.725 122.425 119.914 -0.357 0.000 2.501 1369 V HA 0.387 4.507 4.120 -0.000 0.000 0.277 1369 V C -1.290 174.585 176.094 -0.365 0.000 1.004 1369 V CA -0.042 62.066 62.300 -0.319 0.000 0.862 1369 V CB 0.852 32.655 31.823 -0.033 0.000 1.035 1369 V HN 0.684 nan 8.190 nan 0.000 0.448 1370 I N 3.463 123.706 120.570 -0.544 0.000 2.404 1370 I HA 0.762 4.932 4.170 -0.000 0.000 0.293 1370 I C 0.911 176.837 176.117 -0.318 0.000 0.992 1370 I CA 0.058 61.065 61.300 -0.490 0.000 1.149 1370 I CB 1.883 39.512 38.000 -0.618 0.000 1.315 1370 I HN 0.568 nan 8.210 nan 0.000 0.446 1371 G N 3.111 111.780 108.800 -0.218 0.000 2.462 1371 G HA2 0.767 4.727 3.960 -0.000 0.000 0.319 1371 G HA3 0.767 4.727 3.960 -0.000 0.000 0.319 1371 G C -0.528 174.368 174.900 -0.007 0.000 1.171 1371 G CA -0.190 44.862 45.100 -0.080 0.000 0.920 1371 G HN 0.645 nan 8.290 nan 0.000 0.499 1372 T N -3.507 111.050 114.554 0.006 0.000 2.681 1372 T HA 0.522 4.872 4.350 -0.000 0.000 0.296 1372 T C 0.199 174.798 174.700 -0.167 0.000 1.157 1372 T CA 0.189 62.326 62.100 0.062 0.000 1.025 1372 T CB 1.758 70.815 68.868 0.316 0.000 1.441 1372 T HN 1.331 nan 8.240 nan 0.000 0.504 1373 H N -1.106 117.799 119.070 -0.275 0.000 4.457 1373 H HA -0.242 4.314 4.556 -0.000 0.000 0.106 1373 H C 1.020 176.172 175.328 -0.292 0.000 0.617 1373 H CA 2.263 58.064 56.048 -0.412 0.000 1.147 1373 H CB -1.576 27.671 29.762 -0.858 0.000 0.489 1373 H HN 0.935 nan 8.280 nan 0.000 0.708 1374 T N -1.854 112.546 114.554 -0.256 0.000 3.081 1374 T HA 0.104 4.454 4.350 -0.000 0.000 0.250 1374 T C 0.906 175.409 174.700 -0.327 0.000 1.100 1374 T CA 1.117 63.014 62.100 -0.338 0.000 1.038 1374 T CB -0.172 68.602 68.868 -0.157 0.000 0.962 1374 T HN 0.576 nan 8.240 nan 0.000 0.516 1375 H N -0.861 118.020 119.070 -0.316 0.000 4.444 1375 H HA -0.125 4.431 4.556 -0.000 0.000 0.136 1375 H C 0.003 175.065 175.328 -0.443 0.000 0.754 1375 H CA 0.677 56.407 56.048 -0.529 0.000 1.246 1375 H CB -2.062 27.076 29.762 -1.039 0.000 0.823 1375 H HN 0.448 nan 8.280 nan 0.000 0.476 1376 V N 3.914 123.735 119.914 -0.154 0.000 2.370 1376 V HA 0.323 4.443 4.120 -0.000 0.000 0.283 1376 V C -1.767 174.303 176.094 -0.040 0.000 1.023 1376 V CA -1.372 60.860 62.300 -0.114 0.000 0.857 1376 V CB 2.030 33.776 31.823 -0.128 0.000 0.985 1376 V HN 0.001 nan 8.190 nan 0.000 0.443 1377 P HA 0.145 nan 4.420 nan 0.000 0.271 1377 P C -0.212 177.086 177.300 -0.004 0.000 1.216 1377 P CA 0.101 63.212 63.100 0.018 0.000 0.771 1377 P CB 0.706 32.433 31.700 0.045 0.000 0.864 1378 T N -1.108 113.439 114.554 -0.011 0.000 2.902 1378 T HA 0.563 4.913 4.350 -0.000 0.000 0.283 1378 T C 0.862 175.557 174.700 -0.008 0.000 1.009 1378 T CA -0.842 61.249 62.100 -0.014 0.000 1.051 1378 T CB 1.305 70.160 68.868 -0.022 0.000 0.999 1378 T HN 0.350 nan 8.240 nan 0.000 0.474 1379 A N 1.526 124.347 122.820 0.002 0.000 2.476 1379 A HA 0.245 4.565 4.320 -0.000 0.000 0.263 1379 A C 1.215 178.809 177.584 0.017 0.000 1.342 1379 A CA -0.238 51.803 52.037 0.007 0.000 0.926 1379 A CB -0.640 18.365 19.000 0.008 0.000 1.019 1379 A HN 0.883 nan 8.150 nan 0.000 0.515 1380 D N -1.108 119.302 120.400 0.018 0.000 2.340 1380 D HA -0.002 4.638 4.640 -0.000 0.000 0.217 1380 D C 0.090 176.414 176.300 0.040 0.000 1.081 1380 D CA 0.112 54.139 54.000 0.046 0.000 0.842 1380 D CB -1.147 39.706 40.800 0.088 0.000 0.934 1380 D HN 0.089 nan 8.370 nan 0.000 0.511 1381 T N 1.697 116.253 114.554 0.004 0.000 2.723 1381 T HA -0.064 4.286 4.350 -0.000 0.000 0.260 1381 T C 0.381 175.101 174.700 0.033 0.000 1.019 1381 T CA 0.549 62.647 62.100 -0.003 0.000 1.155 1381 T CB 0.616 69.486 68.868 0.003 0.000 1.024 1381 T HN 0.247 nan 8.240 nan 0.000 0.491 1382 R N 1.979 122.506 120.500 0.046 0.000 2.741 1382 R HA 0.469 4.809 4.340 -0.000 0.000 0.274 1382 R C -1.815 174.519 176.300 0.058 0.000 1.029 1382 R CA -0.783 55.353 56.100 0.060 0.000 0.880 1382 R CB 1.332 31.678 30.300 0.077 0.000 1.264 1382 R HN 0.579 nan 8.270 nan 0.000 0.465 1383 I N 3.734 124.333 120.570 0.047 0.000 2.411 1383 I HA 0.305 4.475 4.170 -0.000 0.000 0.284 1383 I C 0.059 176.187 176.117 0.019 0.000 1.012 1383 I CA -0.705 60.620 61.300 0.041 0.000 1.119 1383 I CB 1.636 39.671 38.000 0.058 0.000 1.261 1383 I HN 0.346 nan 8.210 nan 0.000 0.448 1384 L N 5.619 126.818 121.223 -0.040 0.000 2.417 1384 L HA 0.261 4.601 4.340 -0.000 0.000 0.268 1384 L C 0.842 177.737 176.870 0.042 0.000 1.158 1384 L CA -0.426 54.377 54.840 -0.062 0.000 0.819 1384 L CB 0.286 42.169 42.059 -0.292 0.000 1.112 1384 L HN 0.555 nan 8.230 nan 0.000 0.458 1385 K N 1.278 121.751 120.400 0.123 0.000 2.561 1385 K HA 0.030 4.350 4.320 -0.000 0.000 0.280 1385 K C 0.948 177.594 176.600 0.076 0.000 0.975 1385 K CA 1.105 57.455 56.287 0.105 0.000 1.024 1385 K CB 0.143 32.720 32.500 0.128 0.000 0.883 1385 K HN 0.868 nan 8.250 nan 0.000 0.496 1386 G N 1.965 110.797 108.800 0.052 0.000 2.176 1386 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.232 1386 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.232 1386 G C 0.555 175.469 174.900 0.024 0.000 0.986 1386 G CA 0.126 45.246 45.100 0.033 0.000 0.643 1386 G HN 1.492 nan 8.290 nan 0.000 0.522 1387 G N -0.993 107.828 108.800 0.035 0.000 2.326 1387 G HA2 0.150 4.110 3.960 -0.000 0.000 0.286 1387 G HA3 0.150 4.110 3.960 -0.000 0.000 0.286 1387 G C -0.035 174.886 174.900 0.036 0.000 1.096 1387 G CA 0.762 45.889 45.100 0.045 0.000 1.003 1387 G HN 1.598 nan 8.290 nan 0.000 0.503 1388 T N 0.478 115.043 114.554 0.018 0.000 2.892 1388 T HA 0.705 5.055 4.350 -0.000 0.000 0.311 1388 T C 0.607 175.319 174.700 0.020 0.000 1.033 1388 T CA 0.342 62.441 62.100 -0.003 0.000 0.991 1388 T CB 1.505 70.337 68.868 -0.061 0.000 0.981 1388 T HN 1.491 nan 8.240 nan 0.000 0.457 1389 A N 3.436 126.301 122.820 0.075 0.000 2.483 1389 A HA 0.605 4.925 4.320 -0.000 0.000 0.238 1389 A C -0.702 176.917 177.584 0.059 0.000 1.070 1389 A CA 0.019 52.105 52.037 0.082 0.000 0.770 1389 A CB 0.080 19.165 19.000 0.141 0.000 1.008 1389 A HN 0.880 nan 8.150 nan 0.000 0.497 1390 Y N -0.112 120.125 120.300 -0.105 0.000 2.521 1390 Y HA 0.546 5.096 4.550 -0.000 0.000 0.332 1390 Y C -0.844 174.992 175.900 -0.106 0.000 1.121 1390 Y CA -0.443 57.566 58.100 -0.153 0.000 1.037 1390 Y CB 1.484 39.799 38.460 -0.241 0.000 1.330 1390 Y HN 0.840 nan 8.280 nan 0.000 0.452 1391 Q N 2.774 121.928 119.800 -1.077 0.000 2.327 1391 Q HA 0.244 4.584 4.340 -0.000 0.000 0.265 1391 Q C -0.224 175.219 176.000 -0.929 0.000 0.993 1391 Q CA 0.096 55.465 55.803 -0.724 0.000 0.885 1391 Q CB 2.109 30.664 28.738 -0.305 0.000 1.379 1391 Q HN 0.923 nan 8.270 nan 0.000 0.408 1392 T N 0.166 114.379 114.554 -0.569 0.000 2.788 1392 T HA -0.037 4.313 4.350 -0.000 0.000 0.268 1392 T C 0.369 174.964 174.700 -0.175 0.000 1.044 1392 T CA 1.329 63.263 62.100 -0.277 0.000 1.139 1392 T CB 0.103 68.966 68.868 -0.008 0.000 0.867 1392 T HN 0.501 nan 8.240 nan 0.000 0.454 1393 D N -0.697 119.621 120.400 -0.136 0.000 2.931 1393 D HA 0.494 5.134 4.640 -0.000 0.000 0.215 1393 D C 0.287 176.582 176.300 -0.008 0.000 1.297 1393 D CA -0.092 53.872 54.000 -0.059 0.000 0.892 1393 D CB 1.908 42.687 40.800 -0.036 0.000 1.642 1393 D HN 0.119 nan 8.370 nan 0.000 0.560 1394 A N 2.145 125.008 122.820 0.072 0.000 2.168 1394 A HA 0.458 4.778 4.320 -0.000 0.000 0.215 1394 A C 1.234 178.911 177.584 0.156 0.000 1.152 1394 A CA 1.471 53.602 52.037 0.156 0.000 0.716 1394 A CB -0.661 18.561 19.000 0.369 0.000 0.794 1394 A HN 1.148 nan 8.150 nan 0.000 0.465 1395 G N -1.409 107.470 108.800 0.131 0.000 2.796 1395 G HA2 0.099 4.059 3.960 -0.000 0.000 0.571 1395 G HA3 0.099 4.059 3.960 -0.000 0.000 0.571 1395 G C -0.288 174.759 174.900 0.246 0.000 1.370 1395 G CA -0.187 44.995 45.100 0.136 0.000 0.856 1395 G HN 1.627 nan 8.290 nan 0.000 0.538 1396 F N -1.788 118.142 119.950 -0.033 0.000 2.661 1396 F HA 0.922 5.449 4.527 -0.000 0.000 0.347 1396 F C 0.170 175.910 175.800 -0.100 0.000 1.086 1396 F CA -1.661 56.275 58.000 -0.107 0.000 1.016 1396 F CB 1.062 39.850 39.000 -0.353 0.000 1.368 1396 F HN 0.649 nan 8.300 nan 0.000 0.505 1397 T N 1.612 115.916 114.554 -0.417 0.000 2.963 1397 T HA 0.724 5.074 4.350 -0.000 0.000 0.343 1397 T C -0.009 174.163 174.700 -0.880 0.000 1.146 1397 T CA -0.136 61.663 62.100 -0.502 0.000 1.016 1397 T CB 0.197 68.905 68.868 -0.267 0.000 1.046 1397 T HN 1.164 nan 8.240 nan 0.000 0.496 1398 G N 3.265 111.337 108.800 -1.213 0.000 2.561 1398 G HA2 0.626 4.586 3.960 -0.000 0.000 0.310 1398 G HA3 0.626 4.586 3.960 -0.000 0.000 0.310 1398 G C -3.193 171.417 174.900 -0.483 0.000 1.292 1398 G CA -1.080 43.445 45.100 -0.958 0.000 0.811 1398 G HN 0.255 nan 8.290 nan 0.000 0.482 1399 P HA -0.003 nan 4.420 nan 0.000 0.260 1399 P C 0.118 177.485 177.300 0.112 0.000 1.185 1399 P CA 0.584 63.689 63.100 0.008 0.000 0.763 1399 P CB 0.892 32.621 31.700 0.049 0.000 0.776 1400 H N 3.222 122.296 119.070 0.007 0.000 2.321 1400 H HA -0.108 4.448 4.556 -0.000 0.000 0.300 1400 H C -0.129 175.216 175.328 0.028 0.000 1.087 1400 H CA 1.723 57.790 56.048 0.031 0.000 1.319 1400 H CB -0.123 29.628 29.762 -0.018 0.000 1.379 1400 H HN 0.342 nan 8.280 nan 0.000 0.501 1401 D N 0.516 120.907 120.400 -0.014 0.000 2.479 1401 D HA 0.301 4.941 4.640 -0.000 0.000 0.218 1401 D C -0.535 175.741 176.300 -0.041 0.000 1.131 1401 D CA 0.001 53.953 54.000 -0.080 0.000 0.916 1401 D CB 0.745 41.537 40.800 -0.013 0.000 1.022 1401 D HN 0.433 nan 8.370 nan 0.000 0.515 1402 S N 0.318 115.976 115.700 -0.071 0.000 2.636 1402 S HA 0.505 4.975 4.470 -0.000 0.000 0.268 1402 S C -1.002 173.544 174.600 -0.089 0.000 1.159 1402 S CA -1.016 57.153 58.200 -0.053 0.000 0.815 1402 S CB 0.717 63.897 63.200 -0.033 0.000 1.130 1402 S HN 0.186 nan 8.310 nan 0.000 0.471 1403 I N 2.102 122.628 120.570 -0.074 0.000 2.313 1403 I HA 0.414 4.583 4.170 -0.000 0.000 0.286 1403 I C 0.842 176.876 176.117 -0.139 0.000 1.091 1403 I CA -0.441 60.815 61.300 -0.073 0.000 1.216 1403 I CB 0.284 38.294 38.000 0.018 0.000 1.434 1403 I HN 0.859 nan 8.210 nan 0.000 0.487 1404 I N 4.473 124.908 120.570 -0.226 0.000 5.574 1404 I HA -0.420 3.750 4.170 -0.000 0.000 0.209 1404 I C 1.038 176.906 176.117 -0.416 0.000 1.800 1404 I CA 1.212 62.321 61.300 -0.318 0.000 1.734 1404 I CB -0.615 37.226 38.000 -0.265 0.000 3.304 1404 I HN 0.922 nan 8.210 nan 0.000 0.243 1405 G N -0.991 107.575 108.800 -0.390 0.000 2.705 1405 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.193 1405 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.193 1405 G C 0.169 174.962 174.900 -0.177 0.000 1.015 1405 G CA 0.139 44.871 45.100 -0.614 0.000 0.743 1405 G HN 0.471 nan 8.290 nan 0.000 0.476 1406 S N 0.864 116.495 115.700 -0.114 0.000 2.652 1406 S HA 0.736 5.206 4.470 -0.000 0.000 0.270 1406 S C 0.881 175.483 174.600 0.003 0.000 1.243 1406 S CA 0.174 58.352 58.200 -0.037 0.000 0.999 1406 S CB 1.473 64.550 63.200 -0.206 0.000 0.973 1406 S HN 1.499 nan 8.310 nan 0.000 0.544 1407 A N 0.788 123.637 122.820 0.048 0.000 2.492 1407 A HA 0.287 4.607 4.320 -0.000 0.000 0.236 1407 A C 1.158 178.780 177.584 0.063 0.000 1.078 1407 A CA -0.152 51.924 52.037 0.065 0.000 0.773 1407 A CB -0.328 18.730 19.000 0.096 0.000 1.023 1407 A HN 0.823 nan 8.150 nan 0.000 0.504 1408 I N -0.117 120.484 120.570 0.052 0.000 2.162 1408 I HA -0.173 3.997 4.170 -0.000 0.000 0.238 1408 I C 2.449 178.607 176.117 0.068 0.000 1.076 1408 I CA 1.681 63.011 61.300 0.049 0.000 1.353 1408 I CB -0.383 37.633 38.000 0.027 0.000 1.063 1408 I HN 1.010 nan 8.210 nan 0.000 0.408 1409 E N 1.172 121.408 120.200 0.060 0.000 2.208 1409 E HA -0.244 4.106 4.350 -0.000 0.000 0.202 1409 E C 2.000 178.631 176.600 0.052 0.000 1.014 1409 E CA 1.549 57.978 56.400 0.049 0.000 0.819 1409 E CB -0.196 29.535 29.700 0.051 0.000 0.735 1409 E HN 0.558 nan 8.360 nan 0.000 0.469 1410 G N 1.102 109.978 108.800 0.126 0.000 2.705 1410 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.214 1410 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.214 1410 G C -0.861 174.137 174.900 0.164 0.000 1.321 1410 G CA 1.035 46.255 45.100 0.199 0.000 0.826 1410 G HN 0.295 nan 8.290 nan 0.000 0.595 1411 P HA -0.092 nan 4.420 nan 0.000 0.217 1411 P C 2.084 179.419 177.300 0.059 0.000 1.148 1411 P CA 0.637 63.825 63.100 0.147 0.000 0.834 1411 P CB -0.083 31.711 31.700 0.157 0.000 0.783 1412 L N -0.867 120.437 121.223 0.135 0.000 2.042 1412 L HA -0.250 4.090 4.340 -0.000 0.000 0.210 1412 L C 2.356 179.254 176.870 0.046 0.000 1.076 1412 L CA 1.658 56.594 54.840 0.161 0.000 0.749 1412 L CB -0.504 41.605 42.059 0.084 0.000 0.893 1412 L HN -0.000 nan 8.230 nan 0.000 0.432 1413 Q N -0.476 119.245 119.800 -0.131 0.000 2.167 1413 Q HA -0.149 4.191 4.340 -0.000 0.000 0.202 1413 Q C 2.216 178.038 176.000 -0.297 0.000 0.970 1413 Q CA 1.028 56.627 55.803 -0.339 0.000 0.855 1413 Q CB -0.191 28.043 28.738 -0.840 0.000 0.911 1413 Q HN 0.475 nan 8.270 nan 0.000 0.438 1414 R N -0.317 120.043 120.500 -0.234 0.000 2.088 1414 R HA -0.110 4.230 4.340 -0.000 0.000 0.232 1414 R C 2.252 178.500 176.300 -0.087 0.000 1.136 1414 R CA 1.247 57.250 56.100 -0.161 0.000 0.926 1414 R CB -0.594 29.536 30.300 -0.283 0.000 0.837 1414 R HN 0.232 nan 8.270 nan 0.000 0.429 1415 F N 1.114 121.058 119.950 -0.009 0.000 2.147 1415 F HA -0.225 4.302 4.527 -0.000 0.000 0.301 1415 F C 2.410 178.201 175.800 -0.016 0.000 1.084 1415 F CA 1.264 59.259 58.000 -0.008 0.000 1.268 1415 F CB -0.641 38.352 39.000 -0.013 0.000 1.009 1415 F HN 0.006 nan 8.300 nan 0.000 0.486 1416 L N -0.883 120.433 121.223 0.154 0.000 2.049 1416 L HA -0.149 4.191 4.340 -0.000 0.000 0.203 1416 L C 2.641 179.543 176.870 0.053 0.000 1.074 1416 L CA 1.801 56.687 54.840 0.077 0.000 0.749 1416 L CB -0.849 41.232 42.059 0.036 0.000 0.907 1416 L HN 0.254 nan 8.230 nan 0.000 0.439 1417 T N -4.120 110.456 114.554 0.036 0.000 3.014 1417 T HA -0.047 4.303 4.350 -0.000 0.000 0.263 1417 T C 0.808 175.543 174.700 0.060 0.000 1.078 1417 T CA 0.762 62.896 62.100 0.056 0.000 1.135 1417 T CB -0.019 68.911 68.868 0.104 0.000 0.895 1417 T HN 0.458 nan 8.240 nan 0.000 0.480 1418 E N -0.108 120.124 120.200 0.055 0.000 3.763 1418 E HA -0.148 4.202 4.350 -0.000 0.000 0.319 1418 E C -0.249 176.375 176.600 0.039 0.000 0.804 1418 E CA 0.282 56.708 56.400 0.044 0.000 1.196 1418 E CB -1.292 28.436 29.700 0.046 0.000 1.607 1418 E HN 0.603 nan 8.360 nan 0.000 0.431 1419 R N 1.181 121.722 120.500 0.069 0.000 2.562 1419 R HA 0.336 4.676 4.340 -0.000 0.000 0.298 1419 R C -2.473 173.881 176.300 0.090 0.000 0.961 1419 R CA -2.151 53.984 56.100 0.058 0.000 0.881 1419 R CB 1.247 31.578 30.300 0.051 0.000 1.159 1419 R HN -0.115 nan 8.270 nan 0.000 0.450 1420 P HA -0.068 nan 4.420 nan 0.000 0.261 1420 P C -1.006 176.224 177.300 -0.116 0.000 1.183 1420 P CA 0.517 63.583 63.100 -0.058 0.000 0.761 1420 P CB 0.578 32.227 31.700 -0.084 0.000 0.785 1421 H N 0.654 119.577 119.070 -0.245 0.000 2.747 1421 H HA 0.484 5.040 4.556 -0.000 0.000 0.371 1421 H C 0.393 175.473 175.328 -0.414 0.000 1.161 1421 H CA -0.778 55.124 56.048 -0.243 0.000 1.167 1421 H CB 1.747 31.405 29.762 -0.174 0.000 1.732 1421 H HN 0.305 nan 8.280 nan 0.000 0.544 1422 R N 2.051 122.465 120.500 -0.143 0.000 2.531 1422 R HA 0.362 4.702 4.340 -0.000 0.000 0.273 1422 R C -1.219 175.085 176.300 0.007 0.000 1.070 1422 R CA -0.326 55.694 56.100 -0.134 0.000 1.112 1422 R CB 0.513 30.805 30.300 -0.015 0.000 1.049 1422 R HN 0.830 nan 8.270 nan 0.000 0.508 1423 Y N -1.097 119.266 120.300 0.105 0.000 2.521 1423 Y HA 0.543 5.093 4.550 -0.000 0.000 0.326 1423 Y C -0.756 175.224 175.900 0.133 0.000 1.176 1423 Y CA -1.470 56.697 58.100 0.110 0.000 1.079 1423 Y CB 0.997 39.519 38.460 0.105 0.000 1.341 1423 Y HN 0.715 nan 8.280 nan 0.000 0.456 1424 G N 1.036 110.005 108.800 0.281 0.000 3.175 1424 G HA2 0.572 4.531 3.960 -0.000 0.000 0.255 1424 G HA3 0.572 4.531 3.960 -0.000 0.000 0.255 1424 G C -1.041 173.927 174.900 0.113 0.000 1.352 1424 G CA -1.152 44.057 45.100 0.182 0.000 1.037 1424 G HN 0.577 nan 8.290 nan 0.000 0.556 1425 V N 0.853 120.823 119.914 0.095 0.000 2.763 1425 V HA 0.401 4.521 4.120 -0.000 0.000 0.306 1425 V C 1.192 177.354 176.094 0.113 0.000 1.059 1425 V CA -0.038 62.341 62.300 0.131 0.000 1.138 1425 V CB 0.775 32.635 31.823 0.062 0.000 0.940 1425 V HN 0.956 nan 8.190 nan 0.000 0.489 1426 A N 4.228 127.121 122.820 0.121 0.000 2.425 1426 A HA 0.538 4.858 4.320 -0.000 0.000 0.249 1426 A C 0.147 177.771 177.584 0.067 0.000 1.084 1426 A CA -0.445 51.638 52.037 0.077 0.000 0.781 1426 A CB 0.102 19.134 19.000 0.055 0.000 1.019 1426 A HN 1.023 nan 8.150 nan 0.000 0.490 1427 E N 1.120 121.350 120.200 0.051 0.000 2.187 1427 E HA 0.750 5.100 4.350 -0.000 0.000 0.268 1427 E C 0.169 176.790 176.600 0.035 0.000 0.896 1427 E CA -0.133 56.291 56.400 0.040 0.000 0.766 1427 E CB 1.421 31.143 29.700 0.037 0.000 1.142 1427 E HN 1.456 nan 8.360 nan 0.000 0.408 1428 G N 1.478 110.296 108.800 0.030 0.000 2.334 1428 G HA2 0.007 3.967 3.960 -0.000 0.000 0.249 1428 G HA3 0.007 3.967 3.960 -0.000 0.000 0.249 1428 G C -1.165 173.753 174.900 0.030 0.000 1.327 1428 G CA -0.816 44.302 45.100 0.030 0.000 0.979 1428 G HN 0.679 nan 8.290 nan 0.000 0.471 1429 R N 0.616 121.137 120.500 0.034 0.000 2.523 1429 R HA 0.458 4.798 4.340 -0.000 0.000 0.281 1429 R C 0.443 176.769 176.300 0.043 0.000 0.969 1429 R CA 1.166 57.280 56.100 0.023 0.000 1.093 1429 R CB -0.039 30.275 30.300 0.024 0.000 0.917 1429 R HN 1.342 nan 8.270 nan 0.000 0.408 1430 A N 3.793 126.616 122.820 0.004 0.000 2.350 1430 A HA 0.531 4.850 4.320 -0.000 0.000 0.318 1430 A C -1.028 176.534 177.584 -0.036 0.000 1.132 1430 A CA -0.709 51.325 52.037 -0.004 0.000 0.811 1430 A CB 1.171 20.154 19.000 -0.028 0.000 1.313 1430 A HN 0.873 nan 8.150 nan 0.000 0.454 1431 E N -0.091 120.088 120.200 -0.034 0.000 2.369 1431 E HA 0.743 5.092 4.350 -0.000 0.000 0.270 1431 E C -1.807 174.776 176.600 -0.029 0.000 0.909 1431 E CA -0.787 55.600 56.400 -0.021 0.000 0.775 1431 E CB 1.940 31.699 29.700 0.098 0.000 1.270 1431 E HN 0.593 nan 8.360 nan 0.000 0.445 1432 L N 2.101 123.352 121.223 0.046 0.000 2.439 1432 L HA 0.538 4.878 4.340 -0.000 0.000 0.270 1432 L C -1.681 175.250 176.870 0.101 0.000 0.972 1432 L CA -0.557 54.297 54.840 0.023 0.000 0.836 1432 L CB 1.655 43.710 42.059 -0.005 0.000 1.255 1432 L HN 0.594 nan 8.230 nan 0.000 0.404 1433 N N 2.909 121.662 118.700 0.088 0.000 2.335 1433 N HA 0.856 5.596 4.740 -0.000 0.000 0.304 1433 N C -0.579 175.010 175.510 0.132 0.000 1.135 1433 N CA -0.272 52.862 53.050 0.141 0.000 0.817 1433 N CB 2.460 41.035 38.487 0.146 0.000 1.294 1433 N HN 0.820 nan 8.380 nan 0.000 0.497 1434 G N -0.710 108.202 108.800 0.187 0.000 2.488 1434 G HA2 0.446 4.406 3.960 -0.000 0.000 0.301 1434 G HA3 0.446 4.406 3.960 -0.000 0.000 0.301 1434 G C -1.937 173.092 174.900 0.216 0.000 1.339 1434 G CA -0.361 44.846 45.100 0.178 0.000 0.803 1434 G HN 0.288 nan 8.290 nan 0.000 0.482 1435 V N 0.439 120.483 119.914 0.218 0.000 2.525 1435 V HA 0.717 4.837 4.120 -0.000 0.000 0.299 1435 V C 0.441 176.594 176.094 0.100 0.000 1.034 1435 V CA -0.431 61.971 62.300 0.169 0.000 0.863 1435 V CB 1.162 33.086 31.823 0.169 0.000 0.999 1435 V HN 1.445 nan 8.190 nan 0.000 0.423 1436 A N 6.320 129.201 122.820 0.101 0.000 2.328 1436 A HA 0.889 5.209 4.320 -0.000 0.000 0.284 1436 A C -0.671 176.919 177.584 0.010 0.000 1.160 1436 A CA -0.155 51.941 52.037 0.098 0.000 0.818 1436 A CB 0.315 19.459 19.000 0.240 0.000 1.087 1436 A HN 0.808 nan 8.150 nan 0.000 0.504 1437 L N 1.744 122.934 121.223 -0.055 0.000 2.393 1437 L HA 0.491 4.831 4.340 -0.000 0.000 0.260 1437 L C -0.511 176.228 176.870 -0.219 0.000 1.002 1437 L CA -0.511 54.202 54.840 -0.212 0.000 0.818 1437 L CB 2.399 44.239 42.059 -0.366 0.000 1.369 1437 L HN 0.833 nan 8.230 nan 0.000 0.412 1438 H N 1.232 120.124 119.070 -0.297 0.000 2.646 1438 H HA 0.485 5.041 4.556 -0.000 0.000 0.328 1438 H C -1.351 173.902 175.328 -0.125 0.000 0.998 1438 H CA -0.654 55.284 56.048 -0.183 0.000 1.225 1438 H CB 1.596 31.339 29.762 -0.033 0.000 1.457 1438 H HN 0.229 nan 8.280 nan 0.000 0.505 1439 F N 1.622 121.684 119.950 0.187 0.000 2.458 1439 F HA 0.391 4.918 4.527 -0.000 0.000 0.330 1439 F C 0.267 176.108 175.800 0.068 0.000 1.082 1439 F CA -0.862 57.209 58.000 0.118 0.000 0.995 1439 F CB 1.817 40.881 39.000 0.107 0.000 1.170 1439 F HN 0.509 nan 8.300 nan 0.000 0.478 1440 E N -0.070 120.290 120.200 0.267 0.000 2.397 1440 E HA 0.450 4.800 4.350 -0.000 0.000 0.293 1440 E C 0.098 176.757 176.600 0.098 0.000 0.930 1440 E CA -0.135 56.349 56.400 0.140 0.000 0.793 1440 E CB 1.611 31.371 29.700 0.100 0.000 1.259 1440 E HN 0.825 nan 8.360 nan 0.000 0.406 1441 G N 2.636 111.474 108.800 0.063 0.000 2.225 1441 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.267 1441 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.267 1441 G C 0.896 175.807 174.900 0.019 0.000 1.024 1441 G CA 0.783 45.904 45.100 0.036 0.000 0.784 1441 G HN 1.624 nan 8.290 nan 0.000 0.507 1442 G N -1.843 106.964 108.800 0.011 0.000 2.143 1442 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.248 1442 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.248 1442 G C 0.190 175.057 174.900 -0.055 0.000 0.991 1442 G CA 1.315 46.386 45.100 -0.049 0.000 0.689 1442 G HN 1.108 nan 8.290 nan 0.000 0.522 1443 K N -0.643 119.774 120.400 0.029 0.000 2.444 1443 K HA 0.783 5.103 4.320 -0.000 0.000 0.252 1443 K C -0.086 176.655 176.600 0.236 0.000 0.993 1443 K CA -0.380 55.951 56.287 0.073 0.000 0.847 1443 K CB 2.093 34.633 32.500 0.065 0.000 1.340 1443 K HN 0.561 nan 8.250 nan 0.000 0.446 1444 A N 0.531 123.511 122.820 0.266 0.000 2.301 1444 A HA 0.352 4.672 4.320 -0.000 0.000 0.298 1444 A C 0.572 178.281 177.584 0.207 0.000 1.185 1444 A CA -0.279 51.977 52.037 0.363 0.000 0.830 1444 A CB 0.114 19.314 19.000 0.334 0.000 1.112 1444 A HN 0.820 nan 8.150 nan 0.000 0.508 1445 T N -1.530 113.141 114.554 0.195 0.000 3.040 1445 T HA 0.598 4.948 4.350 -0.000 0.000 0.266 1445 T C 0.216 174.993 174.700 0.128 0.000 1.005 1445 T CA 0.587 62.773 62.100 0.143 0.000 0.906 1445 T CB 0.038 68.988 68.868 0.136 0.000 1.082 1445 T HN 1.865 nan 8.240 nan 0.000 0.531 1446 A N 0.297 123.188 122.820 0.119 0.000 2.577 1446 A HA 0.868 5.188 4.320 -0.000 0.000 0.297 1446 A C -1.412 176.164 177.584 -0.014 0.000 1.060 1446 A CA -0.499 51.564 52.037 0.043 0.000 0.697 1446 A CB 1.047 20.057 19.000 0.016 0.000 1.281 1446 A HN 1.238 nan 8.150 nan 0.000 0.402 1447 A N 1.808 124.615 122.820 -0.022 0.000 2.512 1447 A HA 0.748 5.068 4.320 -0.000 0.000 0.294 1447 A C -1.035 176.547 177.584 -0.004 0.000 1.054 1447 A CA 0.223 52.251 52.037 -0.014 0.000 0.756 1447 A CB 0.973 19.988 19.000 0.025 0.000 1.293 1447 A HN 1.598 nan 8.150 nan 0.000 0.395 1448 E N 2.024 122.228 120.200 0.006 0.000 2.390 1448 E HA 0.607 4.956 4.350 -0.000 0.000 0.277 1448 E C -0.916 175.720 176.600 0.060 0.000 0.939 1448 E CA -1.106 55.309 56.400 0.025 0.000 0.769 1448 E CB 1.526 31.235 29.700 0.015 0.000 1.251 1448 E HN 0.609 nan 8.360 nan 0.000 0.450 1449 R N 1.016 121.548 120.500 0.052 0.000 2.594 1449 R HA 0.218 4.558 4.340 -0.000 0.000 0.272 1449 R C -1.016 175.342 176.300 0.098 0.000 1.074 1449 R CA -0.292 55.853 56.100 0.075 0.000 1.105 1449 R CB 0.440 30.764 30.300 0.039 0.000 1.008 1449 R HN 0.540 nan 8.270 nan 0.000 0.472 1450 Y N 1.900 122.227 120.300 0.045 0.000 2.350 1450 Y HA 0.404 4.954 4.550 -0.000 0.000 0.338 1450 Y C -0.668 175.257 175.900 0.042 0.000 0.961 1450 Y CA -0.872 57.259 58.100 0.052 0.000 1.100 1450 Y CB 1.254 39.746 38.460 0.054 0.000 1.179 1450 Y HN 0.509 nan 8.280 nan 0.000 0.454 1451 R N 5.776 126.036 120.500 -0.399 0.000 2.698 1451 R HA 0.619 4.959 4.340 -0.000 0.000 0.275 1451 R C -2.494 173.694 176.300 -0.187 0.000 1.001 1451 R CA -0.757 55.266 56.100 -0.129 0.000 0.896 1451 R CB 1.725 31.976 30.300 -0.081 0.000 1.218 1451 R HN 0.690 nan 8.270 nan 0.000 0.462 1452 F N 5.121 124.967 119.950 -0.173 0.000 2.604 1452 F HA 0.501 5.028 4.527 -0.000 0.000 0.316 1452 F C -1.670 174.034 175.800 -0.160 0.000 1.136 1452 F CA -0.825 57.066 58.000 -0.182 0.000 0.989 1452 F CB 1.451 40.302 39.000 -0.248 0.000 1.258 1452 F HN 0.272 nan 8.300 nan 0.000 0.451 1453 I N 6.219 126.197 120.570 -0.987 0.000 2.405 1453 I HA 0.176 4.346 4.170 -0.000 0.000 0.280 1453 I C -0.085 175.461 176.117 -0.953 0.000 1.027 1453 I CA -0.484 60.345 61.300 -0.785 0.000 1.161 1453 I CB 1.095 38.706 38.000 -0.649 0.000 1.300 1453 I HN 0.709 nan 8.210 nan 0.000 0.463 1454 E N 4.906 124.722 120.200 -0.641 0.000 2.459 1454 E HA 0.022 4.372 4.350 -0.000 0.000 0.264 1454 E C -0.612 175.851 176.600 -0.227 0.000 1.055 1454 E CA -0.354 55.889 56.400 -0.263 0.000 0.957 1454 E CB 0.989 30.760 29.700 0.119 0.000 0.952 1454 E HN 0.376 nan 8.360 nan 0.000 0.448 1455 D N 0.000 120.329 120.400 -0.119 0.000 6.856 1455 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 1455 D CA 0.000 53.944 54.000 -0.093 0.000 0.868 1455 D CB 0.000 40.774 40.800 -0.044 0.000 0.688 1455 D HN 0.000 nan 8.370 nan 0.000 0.683