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 1fnf_1_A DATA FIRST_RESID 1142 DATA SEQUENCE PLSPPTNLHL EANPDTGVLT VSWERSTTPD ITGYRITTTP TNGQQGNSLE DATA SEQUENCE EVVHADQSSC TFDNLSPGLE YNVSVYTVKD DKESVPISDT IIPAVPPPTD DATA SEQUENCE LRFTNIGPDT MRVTWAPPPS IDLTNFLVRY SPVKNEEDVA ELSISPSDNA DATA SEQUENCE VVLTNLLPGT EYVVSVSSVY EQHESTPLRG RQKTGLDSPT GIDFSDITAN DATA SEQUENCE SFTVHWIAPR ATITGYRIRH HPEHFSGRPR EDRVPHSRNS ITLTNLTPGT DATA SEQUENCE EYVVSIVALN GREESPLLIG QQSTVSDVPR DLEVVAATPT SLLISWDAPA DATA SEQUENCE VTVRYYRITY GETGGNSPVQ EFTVPGSKST ATISGLKPGV DYTITVYAVT DATA SEQUENCE GRGDSPASSK PISINYRT 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 1142 P HA 0.000 nan 4.420 nan 0.000 0.216 1142 P C 0.000 177.302 177.300 0.004 0.000 1.155 1142 P CA 0.000 63.102 63.100 0.003 0.000 0.800 1142 P CB 0.000 31.704 31.700 0.006 0.000 0.726 1143 L N 0.382 121.607 121.223 0.005 0.000 2.329 1143 L HA 0.319 nan 4.340 nan 0.000 0.279 1143 L C -0.279 176.601 176.870 0.015 0.000 1.014 1143 L CA -0.694 54.149 54.840 0.005 0.000 0.814 1143 L CB 1.912 43.967 42.059 -0.007 0.000 1.257 1143 L HN 0.100 8.334 8.230 0.007 0.000 0.424 1144 S N 3.752 119.466 115.700 0.024 0.000 2.513 1144 S HA 0.320 nan 4.470 nan 0.000 0.276 1144 S C -2.054 172.574 174.600 0.046 0.000 1.254 1144 S CA -1.452 56.767 58.200 0.032 0.000 1.053 1144 S CB 0.839 64.062 63.200 0.039 0.000 0.958 1144 S HN 0.496 8.821 8.310 0.025 0.000 0.491 1145 P HA 0.206 nan 4.420 nan 0.000 0.275 1145 P C -2.213 175.123 177.300 0.060 0.000 1.266 1145 P CA -1.829 61.288 63.100 0.028 0.000 0.793 1145 P CB -0.726 30.960 31.700 -0.023 0.000 1.074 1146 P HA 0.168 nan 4.420 nan 0.000 0.274 1146 P C -1.028 176.292 177.300 0.033 0.000 1.246 1146 P CA -0.541 62.600 63.100 0.069 0.000 0.795 1146 P CB 0.872 32.476 31.700 -0.159 0.000 1.006 1147 T N -4.655 109.941 114.554 0.069 0.000 2.831 1147 T HA 0.150 nan 4.350 nan 0.000 0.287 1147 T C -1.210 173.492 174.700 0.002 0.000 1.070 1147 T CA -1.487 60.625 62.100 0.020 0.000 1.010 1147 T CB 3.071 71.952 68.868 0.022 0.000 1.264 1147 T HN 0.075 8.392 8.240 0.129 0.000 0.532 1148 N N -0.608 118.054 118.700 -0.064 0.000 2.696 1148 N HA -0.393 nan 4.740 nan 0.000 0.256 1148 N C -1.835 173.469 175.510 -0.343 0.000 1.031 1148 N CA 0.609 53.543 53.050 -0.194 0.000 0.730 1148 N CB -0.776 37.634 38.487 -0.129 0.000 0.894 1148 N HN 0.242 8.592 8.380 -0.049 0.000 0.544 1149 L N -0.556 120.530 121.223 -0.228 0.000 2.367 1149 L HA 0.171 nan 4.340 nan 0.000 0.275 1149 L C -0.749 175.983 176.870 -0.230 0.000 1.129 1149 L CA -0.179 54.584 54.840 -0.128 0.000 0.839 1149 L CB 1.201 43.239 42.059 -0.034 0.000 1.133 1149 L HN -0.601 7.535 8.230 -0.158 0.000 0.453 1150 H N 7.090 126.223 119.070 0.104 0.000 2.589 1150 H HA 0.358 nan 4.556 nan 0.000 0.351 1150 H C -1.377 174.000 175.328 0.081 0.000 1.074 1150 H CA -1.665 54.424 56.048 0.067 0.000 1.203 1150 H CB 3.067 32.852 29.762 0.038 0.000 1.558 1150 H HN 0.917 9.159 8.280 0.099 0.097 0.522 1151 L N 3.490 124.829 121.223 0.193 0.000 2.319 1151 L HA 0.383 nan 4.340 nan 0.000 0.281 1151 L C -0.924 176.004 176.870 0.098 0.000 1.005 1151 L CA -0.812 54.107 54.840 0.133 0.000 0.828 1151 L CB 1.233 43.352 42.059 0.099 0.000 1.227 1151 L HN 0.464 8.812 8.230 0.197 0.000 0.415 1152 E N 4.386 124.636 120.200 0.084 0.000 2.186 1152 E HA 0.288 nan 4.350 nan 0.000 0.255 1152 E C -1.945 174.682 176.600 0.045 0.000 0.881 1152 E CA -1.222 55.208 56.400 0.050 0.000 0.752 1152 E CB 2.388 32.107 29.700 0.032 0.000 1.176 1152 E HN 0.380 8.800 8.360 0.100 0.000 0.421 1153 A N 4.358 127.199 122.820 0.036 0.000 2.274 1153 A HA 0.338 nan 4.320 nan 0.000 0.309 1153 A C -0.668 176.927 177.584 0.019 0.000 1.226 1153 A CA -1.216 50.837 52.037 0.028 0.000 0.853 1153 A CB 0.765 19.779 19.000 0.023 0.000 1.146 1153 A HN 0.300 8.471 8.150 0.035 0.000 0.518 1154 N N 6.107 124.816 118.700 0.016 0.000 2.483 1154 N HA 0.068 nan 4.740 nan 0.000 0.264 1154 N C -0.824 174.692 175.510 0.010 0.000 1.197 1154 N CA -1.525 51.532 53.050 0.012 0.000 0.927 1154 N CB 0.491 38.984 38.487 0.010 0.000 1.065 1154 N HN -0.106 8.285 8.380 0.018 0.000 0.461 1155 P HA -0.249 nan 4.420 nan 0.000 0.217 1155 P C -0.847 176.460 177.300 0.012 0.000 1.162 1155 P CA 1.900 65.009 63.100 0.014 0.000 0.901 1155 P CB 0.076 31.785 31.700 0.016 0.000 0.793 1156 D N -4.432 115.976 120.400 0.013 0.000 2.551 1156 D HA -0.064 nan 4.640 nan 0.000 0.223 1156 D C -0.557 175.747 176.300 0.007 0.000 1.144 1156 D CA -0.931 53.077 54.000 0.013 0.000 1.025 1156 D CB -1.895 38.917 40.800 0.019 0.000 1.085 1156 D HN -0.120 8.258 8.370 0.013 0.000 0.506 1157 T N 2.110 116.663 114.554 -0.001 0.000 2.658 1157 T HA -0.308 nan 4.350 nan 0.000 0.252 1157 T C -0.326 174.371 174.700 -0.005 0.000 1.021 1157 T CA 1.904 64.000 62.100 -0.007 0.000 1.169 1157 T CB -0.158 68.699 68.868 -0.019 0.000 1.015 1157 T HN -0.166 8.037 8.240 -0.003 0.034 0.489 1158 G N 4.657 113.456 108.800 -0.002 0.000 4.103 1158 G HA2 -0.039 nan 3.960 nan 0.000 0.123 1158 G HA3 -0.039 nan 3.960 nan 0.000 0.123 1158 G C -2.240 172.665 174.900 0.009 0.000 1.189 1158 G CA 0.699 45.800 45.100 0.001 0.000 1.111 1158 G HN 0.069 8.359 8.290 0.000 0.000 0.399 1159 V N 3.349 123.270 119.914 0.012 0.000 2.488 1159 V HA 0.220 nan 4.120 nan 0.000 0.277 1159 V C -1.543 174.571 176.094 0.033 0.000 1.046 1159 V CA 0.606 62.918 62.300 0.020 0.000 0.986 1159 V CB -0.016 31.812 31.823 0.009 0.000 0.989 1159 V HN 0.022 8.217 8.190 0.009 0.000 0.475 1160 L N 8.512 129.775 121.223 0.067 0.000 2.377 1160 L HA 0.686 nan 4.340 nan 0.000 0.270 1160 L C -1.416 175.532 176.870 0.131 0.000 0.991 1160 L CA -0.812 54.083 54.840 0.091 0.000 0.851 1160 L CB 2.238 44.352 42.059 0.092 0.000 1.218 1160 L HN 0.241 8.521 8.230 0.083 0.000 0.420 1161 T N 9.215 123.822 114.554 0.089 0.000 2.749 1161 T HA 0.286 nan 4.350 nan 0.000 0.295 1161 T C -0.949 173.830 174.700 0.132 0.000 0.936 1161 T CA 0.049 62.197 62.100 0.080 0.000 1.060 1161 T CB 0.224 69.108 68.868 0.028 0.000 0.904 1161 T HN 0.781 9.060 8.240 0.065 0.000 0.500 1162 V N 8.292 128.318 119.914 0.187 0.000 2.370 1162 V HA 0.622 nan 4.120 nan 0.000 0.279 1162 V C -1.350 174.891 176.094 0.245 0.000 1.029 1162 V CA -1.438 61.033 62.300 0.286 0.000 0.870 1162 V CB -0.092 31.998 31.823 0.445 0.000 0.984 1162 V HN 1.088 9.375 8.190 0.162 0.000 0.451 1163 S N 5.947 121.775 115.700 0.212 0.000 2.568 1163 S HA 0.936 nan 4.470 nan 0.000 0.293 1163 S C -2.060 172.627 174.600 0.146 0.000 1.089 1163 S CA -1.614 56.578 58.200 -0.014 0.000 0.945 1163 S CB 3.053 66.236 63.200 -0.029 0.000 1.077 1163 S HN 0.605 9.061 8.310 0.244 0.000 0.485 1164 W N -2.269 118.974 121.300 -0.096 0.000 3.074 1164 W HA 0.555 nan 4.660 nan 0.000 0.332 1164 W C -2.258 174.179 176.519 -0.136 0.000 1.253 1164 W CA -1.139 56.116 57.345 -0.149 0.000 1.180 1164 W CB 1.857 31.213 29.460 -0.173 0.000 1.445 1164 W HN 0.078 7.745 8.180 -0.856 0.000 0.573 1165 E N 1.194 121.456 120.200 0.105 0.000 2.313 1165 E HA 0.137 nan 4.350 nan 0.000 0.276 1165 E C 0.123 176.843 176.600 0.200 0.000 1.031 1165 E CA -1.845 54.589 56.400 0.056 0.000 0.857 1165 E CB 2.015 31.744 29.700 0.048 0.000 1.040 1165 E HN 0.558 8.899 8.360 0.137 0.101 0.408 1166 R N 4.203 124.783 120.500 0.134 0.000 2.738 1166 R HA -0.046 nan 4.340 nan 0.000 0.268 1166 R C 0.230 176.699 176.300 0.281 0.000 1.062 1166 R CA 0.339 56.595 56.100 0.260 0.000 1.158 1166 R CB 0.774 31.198 30.300 0.206 0.000 1.046 1166 R HN 0.374 8.668 8.270 0.041 0.000 0.493 1167 S N -0.276 115.667 115.700 0.405 0.000 2.569 1167 S HA -0.098 nan 4.470 nan 0.000 0.274 1167 S C 0.708 175.408 174.600 0.167 0.000 1.353 1167 S CA 0.567 58.920 58.200 0.255 0.000 1.023 1167 S CB 0.776 64.116 63.200 0.234 0.000 0.876 1167 S HN 0.254 8.973 8.310 0.683 0.000 0.540 1168 T N -1.579 113.039 114.554 0.107 0.000 3.145 1168 T HA 0.213 nan 4.350 nan 0.000 0.255 1168 T C 0.572 175.307 174.700 0.059 0.000 1.039 1168 T CA -0.637 61.509 62.100 0.077 0.000 0.928 1168 T CB -0.310 68.592 68.868 0.058 0.000 1.029 1168 T HN 0.275 8.572 8.240 0.096 0.000 0.554 1169 T N 7.461 122.050 114.554 0.059 0.000 2.771 1169 T HA 0.415 nan 4.350 nan 0.000 0.291 1169 T C -2.042 172.678 174.700 0.034 0.000 0.954 1169 T CA -1.624 60.497 62.100 0.035 0.000 1.045 1169 T CB -0.092 68.789 68.868 0.021 0.000 0.917 1169 T HN -0.394 7.816 8.240 0.075 0.075 0.484 1170 P HA 0.242 nan 4.420 nan 0.000 0.278 1170 P C -0.888 176.417 177.300 0.009 0.000 1.266 1170 P CA -0.692 62.422 63.100 0.024 0.000 0.807 1170 P CB 0.611 32.324 31.700 0.021 0.000 1.094 1171 D N -5.194 115.210 120.400 0.008 0.000 2.981 1171 D HA -0.309 nan 4.640 nan 0.000 0.223 1171 D C -0.557 175.732 176.300 -0.017 0.000 1.151 1171 D CA 1.372 55.370 54.000 -0.003 0.000 0.827 1171 D CB -1.746 39.052 40.800 -0.003 0.000 1.101 1171 D HN 0.376 8.755 8.370 0.015 0.000 0.426 1172 I N -7.163 113.390 120.570 -0.028 0.000 2.934 1172 I HA 0.426 nan 4.170 nan 0.000 0.315 1172 I C -0.203 175.877 176.117 -0.062 0.000 0.997 1172 I CA -1.336 59.924 61.300 -0.066 0.000 1.184 1172 I CB 1.392 39.317 38.000 -0.125 0.000 1.400 1172 I HN -0.580 7.596 8.210 -0.014 0.026 0.549 1173 T N -4.032 110.476 114.554 -0.077 0.000 3.023 1173 T HA 0.298 nan 4.350 nan 0.000 0.253 1173 T C 0.159 174.853 174.700 -0.010 0.000 1.038 1173 T CA -0.562 61.516 62.100 -0.037 0.000 0.962 1173 T CB 1.262 70.116 68.868 -0.024 0.000 1.018 1173 T HN 0.448 8.524 8.240 -0.100 0.105 0.521 1174 G N 1.717 110.451 108.800 -0.109 0.000 2.336 1174 G HA2 0.181 nan 3.960 nan 0.000 0.286 1174 G HA3 0.181 nan 3.960 nan 0.000 0.286 1174 G C -3.535 171.182 174.900 -0.305 0.000 1.269 1174 G CA 0.833 45.913 45.100 -0.033 0.000 0.873 1174 G HN -0.559 7.592 8.290 -0.232 0.000 0.494 1175 Y N -2.434 117.927 120.300 0.102 0.000 2.479 1175 Y HA 0.504 nan 4.550 nan 0.000 0.338 1175 Y C -2.385 173.519 175.900 0.007 0.000 1.055 1175 Y CA -0.784 57.333 58.100 0.029 0.000 1.023 1175 Y CB 5.070 43.543 38.460 0.021 0.000 1.287 1175 Y HN -0.381 8.057 8.280 0.263 0.000 0.447 1176 R N 2.245 122.833 120.500 0.146 0.000 2.534 1176 R HA 0.877 nan 4.340 nan 0.000 0.301 1176 R C -1.878 174.529 176.300 0.179 0.000 0.961 1176 R CA -1.450 54.719 56.100 0.114 0.000 0.871 1176 R CB 3.026 33.336 30.300 0.017 0.000 1.170 1176 R HN 0.362 8.730 8.270 0.164 0.000 0.446 1177 I N 6.603 127.279 120.570 0.176 0.000 2.603 1177 I HA 0.712 nan 4.170 nan 0.000 0.300 1177 I C -1.878 174.440 176.117 0.336 0.000 1.017 1177 I CA -1.617 59.830 61.300 0.245 0.000 1.098 1177 I CB 2.900 41.079 38.000 0.298 0.000 1.279 1177 I HN 0.921 9.229 8.210 0.163 0.000 0.437 1178 T N 1.753 116.440 114.554 0.222 0.000 2.909 1178 T HA 0.668 nan 4.350 nan 0.000 0.299 1178 T C -1.261 173.338 174.700 -0.168 0.000 1.073 1178 T CA -2.130 60.019 62.100 0.082 0.000 0.999 1178 T CB 3.001 71.949 68.868 0.134 0.000 1.098 1178 T HN 0.519 8.860 8.240 0.168 0.000 0.477 1179 T N -1.202 113.160 114.554 -0.321 0.000 2.841 1179 T HA 0.628 nan 4.350 nan 0.000 0.285 1179 T C -1.831 172.835 174.700 -0.055 0.000 0.991 1179 T CA -2.030 59.846 62.100 -0.372 0.000 0.966 1179 T CB 1.853 70.208 68.868 -0.855 0.000 0.962 1179 T HN 0.232 8.227 8.240 -0.233 0.106 0.438 1180 T N 4.446 119.080 114.554 0.134 0.000 2.952 1180 T HA 0.642 nan 4.350 nan 0.000 0.305 1180 T C -2.823 171.955 174.700 0.130 0.000 1.064 1180 T CA -2.545 59.659 62.100 0.174 0.000 1.008 1180 T CB 2.453 71.358 68.868 0.062 0.000 1.078 1180 T HN 0.117 8.424 8.240 0.112 0.000 0.459 1181 P HA -0.012 nan 4.420 nan 0.000 0.262 1181 P C -0.714 176.478 177.300 -0.180 0.000 1.199 1181 P CA -0.076 62.795 63.100 -0.381 0.000 0.763 1181 P CB -0.004 31.502 31.700 -0.324 0.000 0.790 1182 T N 6.410 120.859 114.554 -0.175 0.000 2.939 1182 T HA -0.175 nan 4.350 nan 0.000 0.319 1182 T C 0.404 175.062 174.700 -0.069 0.000 1.082 1182 T CA 1.516 63.563 62.100 -0.087 0.000 1.133 1182 T CB -0.005 68.822 68.868 -0.067 0.000 1.019 1182 T HN 0.132 8.101 8.240 -0.251 0.121 0.548 1183 N N 2.556 121.231 118.700 -0.041 0.000 2.900 1183 N HA -0.254 nan 4.740 nan 0.000 0.240 1183 N C -0.288 175.205 175.510 -0.029 0.000 0.953 1183 N CA 0.401 53.434 53.050 -0.030 0.000 0.950 1183 N CB 0.151 38.621 38.487 -0.028 0.000 1.102 1183 N HN 0.485 8.846 8.380 -0.033 0.000 0.593 1184 G N -1.672 107.106 108.800 -0.036 0.000 2.858 1184 G HA2 -0.416 nan 3.960 nan 0.000 0.266 1184 G HA3 -0.416 nan 3.960 nan 0.000 0.266 1184 G C -1.583 173.296 174.900 -0.035 0.000 1.023 1184 G CA 0.045 45.127 45.100 -0.029 0.000 1.172 1184 G HN -0.449 7.716 8.290 -0.047 0.096 0.523 1185 Q N 0.275 120.045 119.800 -0.050 0.000 2.626 1185 Q HA 0.182 nan 4.340 nan 0.000 0.300 1185 Q C -1.392 174.580 176.000 -0.047 0.000 0.988 1185 Q CA -1.475 54.298 55.803 -0.049 0.000 0.761 1185 Q CB 3.206 31.904 28.738 -0.067 0.000 1.494 1185 Q HN 0.057 8.291 8.270 -0.060 0.000 0.439 1186 Q N 1.303 121.084 119.800 -0.032 0.000 2.293 1186 Q HA 0.205 nan 4.340 nan 0.000 0.263 1186 Q C -0.228 175.755 176.000 -0.028 0.000 1.002 1186 Q CA -0.439 55.353 55.803 -0.018 0.000 0.910 1186 Q CB 0.044 28.779 28.738 -0.004 0.000 1.185 1186 Q HN 0.251 8.505 8.270 -0.026 0.000 0.401 1187 G N 2.728 111.525 108.800 -0.005 0.000 2.604 1187 G HA2 0.125 nan 3.960 nan 0.000 0.242 1187 G HA3 0.125 nan 3.960 nan 0.000 0.242 1187 G C -1.814 173.152 174.900 0.109 0.000 1.208 1187 G CA 0.004 45.122 45.100 0.029 0.000 0.912 1187 G HN -0.053 8.244 8.290 0.011 0.000 0.502 1188 N N 2.289 121.137 118.700 0.247 0.000 2.936 1188 N HA 0.217 nan 4.740 nan 0.000 0.243 1188 N C -0.922 174.684 175.510 0.160 0.000 1.149 1188 N CA -1.774 51.375 53.050 0.166 0.000 0.914 1188 N CB 0.036 38.581 38.487 0.096 0.000 1.179 1188 N HN -0.051 8.601 8.380 0.453 0.000 0.502 1189 S N 3.366 119.141 115.700 0.125 0.000 2.465 1189 S HA 0.155 nan 4.470 nan 0.000 0.280 1189 S C -0.713 173.907 174.600 0.033 0.000 1.232 1189 S CA 1.567 59.815 58.200 0.080 0.000 1.066 1189 S CB 0.131 63.368 63.200 0.063 0.000 0.929 1189 S HN 0.170 8.542 8.310 0.103 0.000 0.494 1190 L N 6.115 127.329 121.223 -0.015 0.000 2.211 1190 L HA 0.599 nan 4.340 nan 0.000 0.259 1190 L C -1.128 175.805 176.870 0.104 0.000 1.031 1190 L CA -1.593 53.277 54.840 0.050 0.000 0.877 1190 L CB 3.805 45.923 42.059 0.099 0.000 1.457 1190 L HN 0.512 8.589 8.230 -0.087 0.101 0.466 1191 E N -1.306 119.033 120.200 0.231 0.000 2.390 1191 E HA 0.485 nan 4.350 nan 0.000 0.280 1191 E C -2.159 174.598 176.600 0.261 0.000 0.992 1191 E CA -0.782 55.771 56.400 0.254 0.000 0.790 1191 E CB 3.533 33.304 29.700 0.118 0.000 1.248 1191 E HN -0.147 8.353 8.360 0.233 0.000 0.447 1192 E N 2.737 123.062 120.200 0.207 0.000 2.372 1192 E HA 0.234 nan 4.350 nan 0.000 0.279 1192 E C -2.715 173.912 176.600 0.046 0.000 0.946 1192 E CA -1.148 55.273 56.400 0.035 0.000 0.769 1192 E CB 4.367 33.932 29.700 -0.225 0.000 1.230 1192 E HN 0.154 8.660 8.360 0.243 0.000 0.442 1193 V N -1.106 118.815 119.914 0.011 0.000 2.656 1193 V HA 0.785 nan 4.120 nan 0.000 0.307 1193 V C -1.503 174.596 176.094 0.008 0.000 1.051 1193 V CA -2.158 60.164 62.300 0.036 0.000 0.893 1193 V CB 2.286 34.126 31.823 0.028 0.000 0.999 1193 V HN -0.003 8.174 8.190 -0.022 0.000 0.426 1194 V N -1.135 118.831 119.914 0.087 0.000 3.181 1194 V HA 0.754 nan 4.120 nan 0.000 0.314 1194 V C -0.830 175.330 176.094 0.110 0.000 1.173 1194 V CA -3.299 59.025 62.300 0.038 0.000 1.052 1194 V CB 3.163 35.104 31.823 0.198 0.000 1.123 1194 V HN 0.906 9.197 8.190 0.169 0.000 0.454 1195 H N 0.415 119.601 119.070 0.194 0.000 2.505 1195 H HA 0.331 nan 4.556 nan 0.000 0.358 1195 H C 1.338 176.834 175.328 0.280 0.000 1.304 1195 H CA -1.375 54.774 56.048 0.169 0.000 1.393 1195 H CB 1.137 30.961 29.762 0.104 0.000 1.591 1195 H HN -0.186 8.328 8.280 -0.034 -0.255 0.595 1196 A N 0.189 123.217 122.820 0.347 0.000 1.933 1196 A HA -0.299 nan 4.320 nan 0.000 0.218 1196 A C 0.172 177.976 177.584 0.367 0.000 1.175 1196 A CA 3.041 55.270 52.037 0.320 0.000 0.628 1196 A CB -0.058 19.023 19.000 0.134 0.000 0.814 1196 A HN 0.567 8.881 8.150 0.274 0.000 0.444 1197 D N -6.234 114.315 120.400 0.249 0.000 2.347 1197 D HA -0.217 nan 4.640 nan 0.000 0.215 1197 D C 0.269 176.640 176.300 0.120 0.000 0.976 1197 D CA 0.307 54.405 54.000 0.162 0.000 0.884 1197 D CB -0.832 40.032 40.800 0.107 0.000 0.915 1197 D HN 0.219 8.718 8.370 0.240 0.016 0.526 1198 Q N -0.261 119.638 119.800 0.165 0.000 2.259 1198 Q HA 0.121 nan 4.340 nan 0.000 0.249 1198 Q C -0.581 175.347 176.000 -0.121 0.000 0.914 1198 Q CA -0.070 55.752 55.803 0.031 0.000 0.904 1198 Q CB 1.350 30.130 28.738 0.070 0.000 1.213 1198 Q HN -0.640 7.615 8.270 0.275 0.180 0.428 1199 S N -0.042 115.372 115.700 -0.477 0.000 2.902 1199 S HA 0.209 nan 4.470 nan 0.000 0.250 1199 S C -1.748 171.794 174.600 -1.763 0.000 1.046 1199 S CA -0.787 56.668 58.200 -1.243 0.000 1.069 1199 S CB 0.544 63.224 63.200 -0.867 0.000 0.967 1199 S HN 0.357 8.440 8.310 -0.378 0.000 0.530 1200 S N 0.279 115.283 115.700 -1.159 0.000 2.556 1200 S HA 0.687 nan 4.470 nan 0.000 0.280 1200 S C -1.399 173.067 174.600 -0.223 0.000 1.141 1200 S CA -0.758 57.018 58.200 -0.706 0.000 0.883 1200 S CB 2.619 65.572 63.200 -0.410 0.000 1.103 1200 S HN -0.673 7.219 8.310 -0.697 0.000 0.453 1201 C N -1.061 118.230 119.300 -0.015 0.000 3.090 1201 C HA 0.513 nan 4.460 nan 0.000 0.305 1201 C C -1.301 173.619 174.990 -0.117 0.000 1.292 1201 C CA -2.401 56.585 59.018 -0.054 0.000 1.482 1201 C CB 3.797 31.521 27.740 -0.027 0.000 1.897 1201 C HN 0.667 8.936 8.230 0.066 0.000 0.469 1202 T N -2.285 112.125 114.554 -0.240 0.000 2.887 1202 T HA 0.682 nan 4.350 nan 0.000 0.288 1202 T C -0.480 174.003 174.700 -0.362 0.000 1.021 1202 T CA -1.421 60.571 62.100 -0.180 0.000 1.000 1202 T CB 2.093 70.904 68.868 -0.095 0.000 1.034 1202 T HN 0.091 8.164 8.240 -0.277 0.000 0.467 1203 F N 2.189 122.125 119.950 -0.023 0.000 2.449 1203 F HA 0.270 nan 4.527 nan 0.000 0.329 1203 F C -0.323 175.438 175.800 -0.065 0.000 1.245 1203 F CA -1.222 56.746 58.000 -0.052 0.000 1.193 1203 F CB 1.352 40.299 39.000 -0.089 0.000 1.425 1203 F HN 0.547 8.826 8.300 0.150 0.110 0.544 1204 D N 7.024 127.457 120.400 0.056 0.000 2.885 1204 D HA -0.045 nan 4.640 nan 0.000 0.234 1204 D C -0.599 175.716 176.300 0.026 0.000 1.129 1204 D CA 0.246 54.263 54.000 0.028 0.000 0.991 1204 D CB -1.523 39.277 40.800 -0.000 0.000 1.137 1204 D HN 0.438 8.806 8.370 -0.003 0.000 0.459 1205 N N -2.625 116.094 118.700 0.030 0.000 2.628 1205 N HA -0.042 nan 4.740 nan 0.000 0.235 1205 N C -1.331 174.155 175.510 -0.039 0.000 1.390 1205 N CA 0.003 53.058 53.050 0.008 0.000 1.380 1205 N CB -0.452 38.051 38.487 0.027 0.000 1.444 1205 N HN -0.147 8.178 8.380 0.043 0.081 0.573 1206 L N -0.632 120.544 121.223 -0.079 0.000 2.352 1206 L HA 0.283 nan 4.340 nan 0.000 0.269 1206 L C 0.206 177.054 176.870 -0.037 0.000 1.034 1206 L CA -0.912 53.820 54.840 -0.179 0.000 0.806 1206 L CB 2.062 43.914 42.059 -0.344 0.000 1.244 1206 L HN -0.655 7.546 8.230 -0.048 0.000 0.447 1207 S N 3.016 118.770 115.700 0.089 0.000 2.411 1207 S HA 0.300 nan 4.470 nan 0.000 0.294 1207 S C -2.197 172.431 174.600 0.046 0.000 1.115 1207 S CA -1.866 56.383 58.200 0.082 0.000 1.071 1207 S CB -0.388 62.879 63.200 0.112 0.000 0.967 1207 S HN -0.010 8.408 8.310 0.181 0.000 0.488 1208 P HA -0.213 nan 4.420 nan 0.000 0.266 1208 P C -0.298 176.879 177.300 -0.205 0.000 1.193 1208 P CA 0.421 63.460 63.100 -0.102 0.000 0.770 1208 P CB 0.224 31.860 31.700 -0.107 0.000 0.836 1209 G N -0.014 108.661 108.800 -0.208 0.000 2.283 1209 G HA2 -0.489 nan 3.960 nan 0.000 0.280 1209 G HA3 -0.489 nan 3.960 nan 0.000 0.280 1209 G C -1.558 173.196 174.900 -0.245 0.000 1.029 1209 G CA 0.773 45.686 45.100 -0.311 0.000 0.840 1209 G HN 0.113 8.204 8.290 -0.161 0.101 0.505 1210 L N -3.686 117.433 121.223 -0.174 0.000 2.371 1210 L HA 0.229 nan 4.340 nan 0.000 0.262 1210 L C -1.536 175.237 176.870 -0.161 0.000 1.006 1210 L CA -1.992 52.754 54.840 -0.157 0.000 0.818 1210 L CB 2.506 44.441 42.059 -0.205 0.000 1.354 1210 L HN -0.989 7.145 8.230 -0.121 0.023 0.415 1211 E N 0.570 120.643 120.200 -0.211 0.000 2.249 1211 E HA 0.140 nan 4.350 nan 0.000 0.280 1211 E C -1.143 175.261 176.600 -0.327 0.000 1.016 1211 E CA -0.770 55.536 56.400 -0.156 0.000 0.830 1211 E CB 1.625 31.279 29.700 -0.077 0.000 1.081 1211 E HN -0.014 8.223 8.360 -0.204 0.000 0.395 1212 Y N 4.298 124.565 120.300 -0.055 0.000 2.512 1212 Y HA 0.372 nan 4.550 nan 0.000 0.348 1212 Y C -1.915 173.944 175.900 -0.070 0.000 0.990 1212 Y CA -1.303 56.752 58.100 -0.075 0.000 1.033 1212 Y CB 4.199 42.593 38.460 -0.110 0.000 1.259 1212 Y HN 0.838 9.181 8.280 0.105 0.000 0.461 1213 N N 1.295 120.053 118.700 0.096 0.000 2.424 1213 N HA 0.523 nan 4.740 nan 0.000 0.271 1213 N C -1.642 173.868 175.510 -0.001 0.000 0.985 1213 N CA -1.116 51.951 53.050 0.030 0.000 0.921 1213 N CB 2.015 40.506 38.487 0.007 0.000 1.149 1213 N HN 0.568 8.905 8.380 0.113 0.111 0.492 1214 V N 6.964 126.862 119.914 -0.027 0.000 2.427 1214 V HA 0.473 nan 4.120 nan 0.000 0.286 1214 V C -1.321 174.732 176.094 -0.067 0.000 1.034 1214 V CA -1.087 61.175 62.300 -0.065 0.000 0.893 1214 V CB 1.394 33.189 31.823 -0.047 0.000 0.982 1214 V HN 0.980 9.163 8.190 -0.011 0.000 0.452 1215 S N 6.512 122.165 115.700 -0.078 0.000 2.532 1215 S HA 0.669 nan 4.470 nan 0.000 0.299 1215 S C -2.076 172.391 174.600 -0.223 0.000 1.105 1215 S CA -0.994 57.084 58.200 -0.202 0.000 1.018 1215 S CB 2.664 65.717 63.200 -0.244 0.000 1.021 1215 S HN 0.170 8.456 8.310 -0.041 0.000 0.483 1216 V N 3.868 123.551 119.914 -0.386 0.000 2.540 1216 V HA 0.702 nan 4.120 nan 0.000 0.302 1216 V C -1.556 174.289 176.094 -0.415 0.000 1.035 1216 V CA -1.040 61.038 62.300 -0.371 0.000 0.873 1216 V CB 1.960 33.391 31.823 -0.653 0.000 0.992 1216 V HN 0.542 8.486 8.190 -0.410 0.000 0.428 1217 Y N 4.543 124.755 120.300 -0.145 0.000 2.429 1217 Y HA 0.467 nan 4.550 nan 0.000 0.342 1217 Y C -0.355 175.522 175.900 -0.037 0.000 1.004 1217 Y CA -2.741 55.314 58.100 -0.076 0.000 1.075 1217 Y CB 3.022 41.447 38.460 -0.059 0.000 1.214 1217 Y HN 0.914 9.338 8.280 0.240 0.000 0.455 1218 T N 4.691 119.304 114.554 0.100 0.000 2.817 1218 T HA 0.332 nan 4.350 nan 0.000 0.293 1218 T C -1.409 173.217 174.700 -0.124 0.000 0.964 1218 T CA 1.023 63.053 62.100 -0.117 0.000 1.085 1218 T CB -0.026 68.813 68.868 -0.047 0.000 0.921 1218 T HN 0.275 8.575 8.240 0.099 0.000 0.502 1219 V N 6.696 126.463 119.914 -0.244 0.000 2.604 1219 V HA 0.658 nan 4.120 nan 0.000 0.305 1219 V C -1.913 174.099 176.094 -0.136 0.000 1.043 1219 V CA -1.503 60.715 62.300 -0.138 0.000 0.888 1219 V CB 2.681 34.445 31.823 -0.098 0.000 0.995 1219 V HN 0.622 8.530 8.190 -0.469 0.000 0.429 1220 K N 5.631 125.981 120.400 -0.082 0.000 2.664 1220 K HA 0.318 nan 4.320 nan 0.000 0.234 1220 K C -0.513 176.062 176.600 -0.043 0.000 0.980 1220 K CA -1.287 54.963 56.287 -0.062 0.000 0.996 1220 K CB 1.678 34.147 32.500 -0.052 0.000 1.190 1220 K HN 0.612 8.822 8.250 -0.067 0.000 0.479 1221 D N 8.131 128.509 120.400 -0.036 0.000 3.845 1221 D HA -0.460 nan 4.640 nan 0.000 0.144 1221 D C -0.786 175.495 176.300 -0.031 0.000 0.889 1221 D CA 2.957 56.941 54.000 -0.027 0.000 1.096 1221 D CB -1.131 39.655 40.800 -0.022 0.000 0.515 1221 D HN 0.781 9.129 8.370 -0.037 0.000 0.525 1222 D N 1.299 121.682 120.400 -0.028 0.000 2.340 1222 D HA -0.092 nan 4.640 nan 0.000 0.220 1222 D C -0.199 176.080 176.300 -0.035 0.000 1.039 1222 D CA 0.474 54.455 54.000 -0.032 0.000 0.866 1222 D CB -0.169 40.616 40.800 -0.025 0.000 0.913 1222 D HN 0.189 8.544 8.370 -0.024 0.000 0.523 1223 K N 0.668 121.048 120.400 -0.034 0.000 2.156 1223 K HA 0.349 nan 4.320 nan 0.000 0.250 1223 K C -1.363 175.216 176.600 -0.035 0.000 0.955 1223 K CA -1.596 54.673 56.287 -0.030 0.000 0.855 1223 K CB 1.914 34.401 32.500 -0.022 0.000 1.101 1223 K HN -0.145 7.912 8.250 -0.034 0.173 0.434 1224 E N -1.207 118.981 120.200 -0.020 0.000 2.383 1224 E HA 0.499 nan 4.350 nan 0.000 0.275 1224 E C -0.895 175.734 176.600 0.047 0.000 0.918 1224 E CA -1.314 55.090 56.400 0.006 0.000 0.764 1224 E CB 4.544 34.235 29.700 -0.014 0.000 1.252 1224 E HN 0.174 8.526 8.360 -0.013 0.000 0.449 1225 S N 2.586 118.332 115.700 0.076 0.000 2.661 1225 S HA 0.309 nan 4.470 nan 0.000 0.265 1225 S C 0.520 175.188 174.600 0.113 0.000 1.225 1225 S CA -0.259 57.981 58.200 0.067 0.000 0.986 1225 S CB 2.187 65.412 63.200 0.042 0.000 1.008 1225 S HN 0.227 8.586 8.310 0.082 0.000 0.565 1226 V N -5.551 114.393 119.914 0.051 0.000 2.924 1226 V HA 0.341 nan 4.120 nan 0.000 0.305 1226 V C -0.602 175.442 176.094 -0.083 0.000 1.073 1226 V CA -2.860 59.455 62.300 0.026 0.000 1.098 1226 V CB -1.244 30.577 31.823 -0.004 0.000 1.000 1226 V HN 0.312 8.519 8.190 0.029 0.000 0.484 1227 P HA 0.407 nan 4.420 nan 0.000 0.278 1227 P C -1.704 175.404 177.300 -0.320 0.000 1.266 1227 P CA -1.579 61.178 63.100 -0.571 0.000 0.807 1227 P CB 1.447 32.481 31.700 -1.111 0.000 1.094 1228 I N 0.676 121.054 120.570 -0.320 0.000 2.355 1228 I HA 0.210 nan 4.170 nan 0.000 0.288 1228 I C -1.780 174.215 176.117 -0.203 0.000 0.999 1228 I CA -1.408 59.775 61.300 -0.194 0.000 1.163 1228 I CB 1.546 39.460 38.000 -0.144 0.000 1.316 1228 I HN -0.006 7.957 8.210 -0.412 0.000 0.454 1229 S N 8.617 124.229 115.700 -0.147 0.000 2.607 1229 S HA 0.738 nan 4.470 nan 0.000 0.303 1229 S C -1.709 172.855 174.600 -0.061 0.000 1.086 1229 S CA -1.253 56.879 58.200 -0.113 0.000 0.995 1229 S CB 2.177 65.316 63.200 -0.103 0.000 1.084 1229 S HN 0.283 8.520 8.310 -0.123 0.000 0.507 1230 D N -0.541 119.837 120.400 -0.037 0.000 2.685 1230 D HA 0.136 nan 4.640 nan 0.000 0.236 1230 D C -2.429 173.874 176.300 0.004 0.000 1.233 1230 D CA 0.082 54.076 54.000 -0.010 0.000 0.760 1230 D CB 3.427 44.229 40.800 0.004 0.000 1.410 1230 D HN 0.171 8.517 8.370 -0.040 0.000 0.439 1231 T N 2.872 117.434 114.554 0.015 0.000 2.888 1231 T HA 0.831 nan 4.350 nan 0.000 0.284 1231 T C -1.089 173.634 174.700 0.039 0.000 1.017 1231 T CA -2.048 60.067 62.100 0.026 0.000 1.022 1231 T CB 1.372 70.249 68.868 0.016 0.000 1.013 1231 T HN 0.056 8.304 8.240 0.014 0.000 0.465 1232 I N 6.073 126.676 120.570 0.055 0.000 2.722 1232 I HA 0.403 nan 4.170 nan 0.000 0.295 1232 I C -2.410 173.748 176.117 0.068 0.000 1.161 1232 I CA -1.253 60.082 61.300 0.059 0.000 1.032 1232 I CB 4.455 42.490 38.000 0.058 0.000 1.244 1232 I HN 0.935 9.187 8.210 0.070 0.000 0.421 1233 I N 7.148 127.743 120.570 0.042 0.000 2.359 1233 I HA 0.297 nan 4.170 nan 0.000 0.284 1233 I C -1.929 174.176 176.117 -0.020 0.000 1.018 1233 I CA -3.296 58.002 61.300 -0.003 0.000 1.173 1233 I CB 0.645 38.625 38.000 -0.034 0.000 1.326 1233 I HN 0.324 8.560 8.210 0.043 0.000 0.462 1234 P HA -0.036 nan 4.420 nan 0.000 0.267 1234 P C -1.630 175.633 177.300 -0.062 0.000 1.200 1234 P CA -0.239 62.855 63.100 -0.011 0.000 0.772 1234 P CB 0.388 32.094 31.700 0.009 0.000 0.855 1235 A N 2.758 125.561 122.820 -0.027 0.000 2.425 1235 A HA -0.029 nan 4.320 nan 0.000 0.242 1235 A C -0.524 177.042 177.584 -0.030 0.000 1.077 1235 A CA 0.095 52.121 52.037 -0.018 0.000 0.781 1235 A CB 0.923 19.932 19.000 0.015 0.000 1.020 1235 A HN 0.233 8.379 8.150 -0.007 0.000 0.494 1236 V N 0.819 120.728 119.914 -0.008 0.000 2.637 1236 V HA -0.068 nan 4.120 nan 0.000 0.296 1236 V C -1.411 174.689 176.094 0.010 0.000 1.046 1236 V CA -1.970 60.328 62.300 -0.003 0.000 1.066 1236 V CB -0.319 31.536 31.823 0.053 0.000 0.968 1236 V HN 0.369 8.573 8.190 0.023 0.000 0.483 1237 P HA 0.331 nan 4.420 nan 0.000 0.276 1237 P C -2.354 174.971 177.300 0.043 0.000 1.235 1237 P CA -1.735 61.378 63.100 0.021 0.000 0.772 1237 P CB -0.542 31.169 31.700 0.019 0.000 0.871 1238 P HA 0.290 nan 4.420 nan 0.000 0.278 1238 P C -1.833 175.522 177.300 0.093 0.000 1.258 1238 P CA -2.651 60.485 63.100 0.059 0.000 0.811 1238 P CB -0.636 31.085 31.700 0.036 0.000 1.063 1239 P HA 0.268 nan 4.420 nan 0.000 0.279 1239 P C -0.874 176.481 177.300 0.091 0.000 1.276 1239 P CA -0.931 62.265 63.100 0.159 0.000 0.801 1239 P CB 1.618 33.408 31.700 0.149 0.000 1.127 1240 T N -7.209 107.413 114.554 0.113 0.000 2.669 1240 T HA 0.250 nan 4.350 nan 0.000 0.283 1240 T C -1.644 173.108 174.700 0.085 0.000 1.019 1240 T CA -0.903 61.243 62.100 0.077 0.000 1.039 1240 T CB 2.963 71.868 68.868 0.062 0.000 1.374 1240 T HN 0.490 8.716 8.240 0.153 0.106 0.523 1241 D N -0.970 119.463 120.400 0.055 0.000 2.746 1241 D HA -0.339 nan 4.640 nan 0.000 0.241 1241 D C -2.339 173.977 176.300 0.027 0.000 1.140 1241 D CA 0.861 54.885 54.000 0.038 0.000 0.707 1241 D CB -0.449 40.370 40.800 0.030 0.000 1.034 1241 D HN 0.194 8.592 8.370 0.047 0.000 0.423 1242 L N -1.917 119.312 121.223 0.011 0.000 2.407 1242 L HA -0.008 nan 4.340 nan 0.000 0.282 1242 L C -0.750 176.040 176.870 -0.134 0.000 1.110 1242 L CA -0.120 54.678 54.840 -0.070 0.000 0.863 1242 L CB 0.171 42.177 42.059 -0.088 0.000 1.207 1242 L HN -0.321 7.923 8.230 0.024 0.000 0.454 1243 R N 5.945 126.334 120.500 -0.186 0.000 2.514 1243 R HA 0.399 nan 4.340 nan 0.000 0.301 1243 R C -1.461 174.703 176.300 -0.227 0.000 0.962 1243 R CA -1.853 54.175 56.100 -0.120 0.000 0.882 1243 R CB 1.994 32.257 30.300 -0.063 0.000 1.143 1243 R HN 0.625 8.680 8.270 -0.179 0.108 0.452 1244 F N 1.815 121.771 119.950 0.011 0.000 2.444 1244 F HA 0.584 nan 4.527 nan 0.000 0.342 1244 F C 0.025 175.818 175.800 -0.013 0.000 1.121 1244 F CA -0.443 57.557 58.000 0.000 0.000 0.997 1244 F CB 1.789 40.793 39.000 0.008 0.000 1.130 1244 F HN 0.308 8.768 8.300 0.267 0.000 0.454 1245 T N 0.277 114.915 114.554 0.139 0.000 2.838 1245 T HA 0.286 nan 4.350 nan 0.000 0.292 1245 T C -1.163 173.565 174.700 0.046 0.000 1.113 1245 T CA -1.131 61.009 62.100 0.066 0.000 1.008 1245 T CB 3.149 72.025 68.868 0.013 0.000 1.259 1245 T HN 0.907 9.219 8.240 0.120 0.000 0.520 1246 N N -1.944 116.768 118.700 0.021 0.000 2.725 1246 N HA -0.353 nan 4.740 nan 0.000 0.251 1246 N C -1.600 173.915 175.510 0.009 0.000 1.031 1246 N CA 0.574 53.629 53.050 0.007 0.000 0.720 1246 N CB -1.051 37.432 38.487 -0.007 0.000 0.930 1246 N HN 0.331 8.722 8.380 0.018 0.000 0.543 1247 I N -1.835 118.744 120.570 0.015 0.000 2.421 1247 I HA 0.092 nan 4.170 nan 0.000 0.291 1247 I C 0.531 176.645 176.117 -0.004 0.000 1.089 1247 I CA -1.379 59.923 61.300 0.004 0.000 1.354 1247 I CB -1.540 36.461 38.000 0.001 0.000 1.413 1247 I HN -0.600 7.622 8.210 0.020 0.000 0.513 1248 G N 7.784 116.577 108.800 -0.012 0.000 2.667 1248 G HA2 0.550 nan 3.960 nan 0.000 0.310 1248 G HA3 0.550 nan 3.960 nan 0.000 0.310 1248 G C -1.156 173.741 174.900 -0.006 0.000 1.259 1248 G CA -1.746 43.349 45.100 -0.008 0.000 1.019 1248 G HN 0.554 8.721 8.290 -0.020 0.111 0.496 1249 P HA -0.016 nan 4.420 nan 0.000 0.221 1249 P C -1.279 176.032 177.300 0.018 0.000 1.150 1249 P CA 1.949 65.058 63.100 0.015 0.000 0.800 1249 P CB 0.598 32.310 31.700 0.020 0.000 0.787 1250 D N -9.485 110.915 120.400 -0.001 0.000 2.582 1250 D HA 0.153 nan 4.640 nan 0.000 0.246 1250 D C -1.467 174.798 176.300 -0.059 0.000 1.334 1250 D CA -1.111 52.882 54.000 -0.012 0.000 0.805 1250 D CB 0.181 40.984 40.800 0.006 0.000 1.087 1250 D HN -0.136 8.206 8.370 -0.005 0.025 0.499 1251 T N -0.477 114.035 114.554 -0.070 0.000 2.802 1251 T HA 0.634 nan 4.350 nan 0.000 0.311 1251 T C -2.642 172.008 174.700 -0.083 0.000 1.405 1251 T CA -0.538 61.507 62.100 -0.093 0.000 1.016 1251 T CB 2.484 71.317 68.868 -0.057 0.000 1.352 1251 T HN -0.941 7.163 8.240 -0.049 0.107 0.498 1252 M N 0.728 120.277 119.600 -0.086 0.000 2.449 1252 M HA 0.557 nan 4.480 nan 0.000 0.291 1252 M C -3.067 173.227 176.300 -0.010 0.000 1.148 1252 M CA 0.233 55.519 55.300 -0.023 0.000 0.925 1252 M CB 4.231 36.836 32.600 0.008 0.000 1.767 1252 M HN 0.273 8.496 8.290 -0.111 0.000 0.503 1253 R N 1.860 122.371 120.500 0.019 0.000 2.294 1253 R HA 0.683 nan 4.340 nan 0.000 0.319 1253 R C -1.855 174.437 176.300 -0.012 0.000 0.984 1253 R CA -1.075 55.014 56.100 -0.018 0.000 0.861 1253 R CB 2.043 32.319 30.300 -0.041 0.000 1.104 1253 R HN 0.505 8.798 8.270 0.038 0.000 0.451 1254 V N 8.743 128.621 119.914 -0.060 0.000 2.417 1254 V HA 0.685 nan 4.120 nan 0.000 0.291 1254 V C -1.505 174.485 176.094 -0.173 0.000 1.024 1254 V CA -1.208 60.995 62.300 -0.160 0.000 0.861 1254 V CB 1.302 33.075 31.823 -0.084 0.000 0.985 1254 V HN 0.851 9.012 8.190 -0.049 0.000 0.436 1255 T N 7.464 121.875 114.554 -0.239 0.000 2.887 1255 T HA 0.901 nan 4.350 nan 0.000 0.288 1255 T C -1.915 172.689 174.700 -0.160 0.000 1.021 1255 T CA -1.086 60.801 62.100 -0.355 0.000 1.000 1255 T CB 2.419 71.106 68.868 -0.301 0.000 1.034 1255 T HN 0.756 8.825 8.240 -0.284 0.000 0.467 1256 W N 0.367 121.523 121.300 -0.239 0.000 3.047 1256 W HA 0.762 nan 4.660 nan 0.000 0.341 1256 W C -2.580 173.836 176.519 -0.172 0.000 1.225 1256 W CA -2.238 54.977 57.345 -0.216 0.000 1.150 1256 W CB 2.208 31.510 29.460 -0.263 0.000 1.470 1256 W HN 0.663 8.226 8.180 -1.028 0.000 0.578 1257 A N 0.599 123.510 122.820 0.152 0.000 2.253 1257 A HA 0.503 nan 4.320 nan 0.000 0.316 1257 A C -2.566 175.161 177.584 0.239 0.000 1.327 1257 A CA -3.196 48.901 52.037 0.100 0.000 0.917 1257 A CB -0.179 18.863 19.000 0.070 0.000 1.162 1257 A HN 0.906 9.077 8.150 0.214 0.107 0.535 1258 P HA 0.385 nan 4.420 nan 0.000 0.274 1258 P C -2.670 174.798 177.300 0.280 0.000 1.237 1258 P CA -2.081 61.292 63.100 0.454 0.000 0.793 1258 P CB -0.950 31.088 31.700 0.564 0.000 0.977 1259 P HA 0.211 nan 4.420 nan 0.000 0.265 1259 P C -1.701 175.665 177.300 0.110 0.000 1.193 1259 P CA -1.048 62.138 63.100 0.143 0.000 0.765 1259 P CB -0.909 30.855 31.700 0.107 0.000 0.823 1260 P HA 0.034 nan 4.420 nan 0.000 0.274 1260 P C -1.033 176.290 177.300 0.039 0.000 1.246 1260 P CA -0.553 62.581 63.100 0.056 0.000 0.795 1260 P CB 0.333 32.059 31.700 0.042 0.000 1.006 1261 S N -2.786 112.933 115.700 0.033 0.000 3.425 1261 S HA -0.410 nan 4.470 nan 0.000 0.377 1261 S C -1.255 173.348 174.600 0.005 0.000 0.989 1261 S CA 0.854 59.065 58.200 0.019 0.000 1.183 1261 S CB -0.698 62.510 63.200 0.012 0.000 0.908 1261 S HN 0.311 8.642 8.310 0.037 0.000 0.472 1262 I N -1.092 119.485 120.570 0.011 0.000 2.607 1262 I HA 0.162 nan 4.170 nan 0.000 0.290 1262 I C -1.976 174.146 176.117 0.008 0.000 1.129 1262 I CA -0.495 60.794 61.300 -0.018 0.000 1.042 1262 I CB 3.016 40.986 38.000 -0.050 0.000 1.242 1262 I HN -0.543 7.672 8.210 0.032 0.015 0.421 1263 D N 9.672 130.081 120.400 0.015 0.000 2.522 1263 D HA 0.131 nan 4.640 nan 0.000 0.218 1263 D C -0.568 175.808 176.300 0.126 0.000 1.149 1263 D CA -0.392 53.647 54.000 0.066 0.000 0.981 1263 D CB -0.689 40.162 40.800 0.084 0.000 1.041 1263 D HN 0.161 8.523 8.370 -0.012 0.000 0.518 1264 L N 0.737 121.990 121.223 0.051 0.000 2.479 1264 L HA -0.044 nan 4.340 nan 0.000 0.270 1264 L C 1.123 178.002 176.870 0.015 0.000 1.236 1264 L CA 0.124 54.980 54.840 0.026 0.000 0.823 1264 L CB -0.095 41.812 42.059 -0.253 0.000 1.098 1264 L HN -0.416 7.819 8.230 0.009 0.000 0.500 1265 T N 1.133 115.673 114.554 -0.025 0.000 2.978 1265 T HA 0.018 nan 4.350 nan 0.000 0.262 1265 T C -0.676 173.981 174.700 -0.072 0.000 1.063 1265 T CA 2.097 64.154 62.100 -0.072 0.000 1.140 1265 T CB 0.564 69.353 68.868 -0.131 0.000 0.886 1265 T HN 0.748 8.872 8.240 -0.004 0.113 0.470 1266 N N -3.408 115.208 118.700 -0.139 0.000 3.576 1266 N HA -0.009 nan 4.740 nan 0.000 0.264 1266 N C -2.765 172.584 175.510 -0.268 0.000 1.356 1266 N CA -0.189 52.799 53.050 -0.103 0.000 0.797 1266 N CB 0.420 38.911 38.487 0.005 0.000 1.568 1266 N HN -0.680 7.579 8.380 -0.201 0.000 0.405 1267 F N -3.771 116.220 119.950 0.069 0.000 2.575 1267 F HA 0.735 nan 4.527 nan 0.000 0.330 1267 F C -1.011 174.770 175.800 -0.032 0.000 1.056 1267 F CA -1.495 56.501 58.000 -0.005 0.000 0.964 1267 F CB 3.653 42.649 39.000 -0.006 0.000 1.258 1267 F HN 0.190 8.546 8.300 0.269 0.105 0.484 1268 L N 1.354 122.642 121.223 0.109 0.000 2.415 1268 L HA 0.612 nan 4.340 nan 0.000 0.268 1268 L C -1.896 174.967 176.870 -0.010 0.000 0.984 1268 L CA -0.598 54.269 54.840 0.044 0.000 0.853 1268 L CB 1.590 43.659 42.059 0.017 0.000 1.215 1268 L HN 0.774 8.964 8.230 0.097 0.098 0.419 1269 V N 7.834 127.760 119.914 0.020 0.000 2.407 1269 V HA 0.478 nan 4.120 nan 0.000 0.278 1269 V C -1.514 174.645 176.094 0.108 0.000 1.037 1269 V CA -0.641 61.677 62.300 0.029 0.000 0.900 1269 V CB 0.473 32.345 31.823 0.082 0.000 0.983 1269 V HN 1.203 9.336 8.190 0.069 0.099 0.459 1270 R N 6.377 126.938 120.500 0.102 0.000 2.670 1270 R HA 0.940 nan 4.340 nan 0.000 0.289 1270 R C -1.805 174.611 176.300 0.194 0.000 0.965 1270 R CA -1.380 54.763 56.100 0.072 0.000 0.899 1270 R CB 3.509 33.820 30.300 0.019 0.000 1.173 1270 R HN 0.861 9.173 8.270 0.071 0.000 0.456 1271 Y N -0.951 119.397 120.300 0.080 0.000 2.592 1271 Y HA 0.829 nan 4.550 nan 0.000 0.334 1271 Y C -2.918 173.081 175.900 0.164 0.000 1.136 1271 Y CA -2.111 56.069 58.100 0.133 0.000 1.042 1271 Y CB 3.142 41.687 38.460 0.142 0.000 1.325 1271 Y HN 0.294 8.409 8.280 -0.275 0.000 0.457 1272 S N -2.071 113.837 115.700 0.346 0.000 2.595 1272 S HA 0.543 nan 4.470 nan 0.000 0.270 1272 S C -2.955 171.727 174.600 0.136 0.000 1.145 1272 S CA -2.468 55.864 58.200 0.220 0.000 0.825 1272 S CB 1.832 65.058 63.200 0.043 0.000 1.107 1272 S HN 0.474 9.037 8.310 0.422 0.000 0.461 1273 P HA -0.009 nan 4.420 nan 0.000 0.276 1273 P C 0.431 177.609 177.300 -0.203 0.000 1.230 1273 P CA -0.203 62.614 63.100 -0.470 0.000 0.776 1273 P CB 0.036 31.475 31.700 -0.435 0.000 0.888 1274 V N 4.421 124.224 119.914 -0.185 0.000 2.324 1274 V HA -0.436 nan 4.120 nan 0.000 0.250 1274 V C 1.324 177.369 176.094 -0.081 0.000 1.060 1274 V CA 4.103 66.348 62.300 -0.091 0.000 1.042 1274 V CB -0.400 31.377 31.823 -0.077 0.000 0.650 1274 V HN 0.817 8.737 8.190 -0.256 0.117 0.450 1275 K N -4.248 116.089 120.400 -0.104 0.000 2.417 1275 K HA 0.000 nan 4.320 nan 0.000 0.196 1275 K C -0.428 176.129 176.600 -0.071 0.000 1.023 1275 K CA 0.345 56.586 56.287 -0.077 0.000 1.122 1275 K CB -0.186 32.269 32.500 -0.076 0.000 0.850 1275 K HN 0.087 8.239 8.250 -0.145 0.010 0.521 1276 N N 0.279 118.930 118.700 -0.080 0.000 2.664 1276 N HA 0.190 nan 4.740 nan 0.000 0.287 1276 N C -0.275 175.207 175.510 -0.046 0.000 1.869 1276 N CA -0.852 52.162 53.050 -0.061 0.000 0.832 1276 N CB -0.151 38.294 38.487 -0.071 0.000 1.293 1276 N HN -0.232 7.880 8.380 -0.095 0.211 0.498 1277 E N 1.460 121.638 120.200 -0.036 0.000 2.086 1277 E HA -0.407 nan 4.350 nan 0.000 0.200 1277 E C 0.786 177.374 176.600 -0.020 0.000 1.012 1277 E CA 3.391 59.777 56.400 -0.022 0.000 0.812 1277 E CB -0.789 28.901 29.700 -0.017 0.000 0.743 1277 E HN 0.490 8.828 8.360 -0.036 0.000 0.453 1278 E N -1.889 118.299 120.200 -0.021 0.000 2.409 1278 E HA -0.166 nan 4.350 nan 0.000 0.198 1278 E C 0.247 176.832 176.600 -0.024 0.000 1.024 1278 E CA 0.660 57.047 56.400 -0.021 0.000 0.861 1278 E CB -1.098 28.592 29.700 -0.017 0.000 0.788 1278 E HN 0.169 8.516 8.360 -0.022 0.000 0.521 1279 D N 1.605 121.991 120.400 -0.024 0.000 2.896 1279 D HA 0.067 nan 4.640 nan 0.000 0.240 1279 D C -1.356 174.922 176.300 -0.037 0.000 1.193 1279 D CA -0.442 53.545 54.000 -0.021 0.000 0.983 1279 D CB -0.801 39.995 40.800 -0.007 0.000 1.074 1279 D HN -0.458 7.717 8.370 -0.024 0.180 0.496 1280 V N -0.251 119.623 119.914 -0.067 0.000 2.713 1280 V HA 0.429 nan 4.120 nan 0.000 0.307 1280 V C -1.764 174.205 176.094 -0.208 0.000 1.052 1280 V CA -1.602 60.619 62.300 -0.131 0.000 0.967 1280 V CB 2.686 34.454 31.823 -0.092 0.000 1.019 1280 V HN -0.690 7.411 8.190 -0.054 0.056 0.459 1281 A N 6.521 129.083 122.820 -0.429 0.000 2.374 1281 A HA 0.488 nan 4.320 nan 0.000 0.317 1281 A C -3.034 174.327 177.584 -0.371 0.000 1.094 1281 A CA -1.484 50.291 52.037 -0.436 0.000 0.765 1281 A CB 3.168 21.794 19.000 -0.624 0.000 1.268 1281 A HN 0.706 8.493 8.150 -0.605 0.000 0.438 1282 E N 0.697 120.808 120.200 -0.149 0.000 2.256 1282 E HA 0.938 nan 4.350 nan 0.000 0.267 1282 E C -1.455 175.170 176.600 0.041 0.000 0.892 1282 E CA -1.561 54.815 56.400 -0.041 0.000 0.775 1282 E CB 2.902 32.586 29.700 -0.028 0.000 1.207 1282 E HN 0.162 8.458 8.360 -0.107 0.000 0.420 1283 L N 4.077 125.354 121.223 0.090 0.000 2.464 1283 L HA 0.353 nan 4.340 nan 0.000 0.266 1283 L C -1.767 175.168 176.870 0.108 0.000 0.965 1283 L CA -0.768 54.142 54.840 0.118 0.000 0.833 1283 L CB 3.853 46.021 42.059 0.181 0.000 1.296 1283 L HN 0.735 9.016 8.230 0.085 0.000 0.405 1284 S N 2.518 118.277 115.700 0.098 0.000 2.429 1284 S HA 0.387 nan 4.470 nan 0.000 0.302 1284 S C -0.787 173.899 174.600 0.143 0.000 1.115 1284 S CA -1.025 57.237 58.200 0.103 0.000 1.095 1284 S CB 0.335 63.575 63.200 0.066 0.000 0.987 1284 S HN 0.175 8.537 8.310 0.087 0.000 0.474 1285 I N 5.999 126.697 120.570 0.213 0.000 2.460 1285 I HA 0.239 nan 4.170 nan 0.000 0.298 1285 I C -0.254 176.037 176.117 0.290 0.000 0.989 1285 I CA -2.866 58.602 61.300 0.280 0.000 1.173 1285 I CB 1.875 40.137 38.000 0.437 0.000 1.338 1285 I HN 0.580 8.814 8.210 0.228 0.113 0.456 1286 S N 4.574 120.410 115.700 0.227 0.000 2.552 1286 S HA 0.001 nan 4.470 nan 0.000 0.289 1286 S C 0.536 175.311 174.600 0.292 0.000 1.304 1286 S CA -1.823 56.490 58.200 0.188 0.000 1.063 1286 S CB 0.775 64.053 63.200 0.130 0.000 0.848 1286 S HN 0.485 8.909 8.310 0.190 0.000 0.499 1287 P HA 0.035 nan 4.420 nan 0.000 0.230 1287 P C -0.470 177.007 177.300 0.296 0.000 1.158 1287 P CA 1.301 64.527 63.100 0.210 0.000 0.769 1287 P CB -0.124 31.593 31.700 0.028 0.000 0.807 1288 S N -2.534 113.288 115.700 0.204 0.000 2.558 1288 S HA -0.058 nan 4.470 nan 0.000 0.217 1288 S C 0.301 174.968 174.600 0.111 0.000 0.975 1288 S CA 0.390 58.675 58.200 0.141 0.000 0.912 1288 S CB 0.603 63.852 63.200 0.083 0.000 0.776 1288 S HN -0.628 7.725 8.310 0.171 0.059 0.526 1289 D N 2.044 122.535 120.400 0.151 0.000 2.268 1289 D HA 0.254 nan 4.640 nan 0.000 0.249 1289 D C -1.118 175.075 176.300 -0.179 0.000 1.008 1289 D CA -0.423 53.576 54.000 -0.001 0.000 0.939 1289 D CB 2.466 43.276 40.800 0.016 0.000 1.170 1289 D HN -0.347 8.007 8.370 0.266 0.175 0.468 1290 N N -3.073 115.292 118.700 -0.557 0.000 2.241 1290 N HA 0.026 nan 4.740 nan 0.000 0.238 1290 N C -2.219 172.167 175.510 -1.873 0.000 1.244 1290 N CA -0.397 51.875 53.050 -1.296 0.000 0.880 1290 N CB 1.498 39.510 38.487 -0.792 0.000 1.179 1290 N HN 0.106 8.227 8.380 -0.432 0.000 0.513 1291 A N -0.597 121.450 122.820 -1.287 0.000 2.609 1291 A HA 0.752 nan 4.320 nan 0.000 0.291 1291 A C -2.867 174.500 177.584 -0.361 0.000 1.096 1291 A CA -0.342 51.156 52.037 -0.899 0.000 0.684 1291 A CB 2.770 21.476 19.000 -0.491 0.000 1.282 1291 A HN -0.654 7.003 8.150 -0.822 0.000 0.412 1292 V N -0.424 119.419 119.914 -0.120 0.000 2.777 1292 V HA 0.468 nan 4.120 nan 0.000 0.306 1292 V C -2.356 173.723 176.094 -0.025 0.000 1.112 1292 V CA -1.174 61.145 62.300 0.031 0.000 0.917 1292 V CB 4.448 36.386 31.823 0.191 0.000 1.018 1292 V HN 0.234 8.337 8.190 -0.145 0.000 0.426 1293 V N 8.268 128.159 119.914 -0.038 0.000 2.318 1293 V HA 0.541 nan 4.120 nan 0.000 0.271 1293 V C -0.339 175.705 176.094 -0.084 0.000 1.030 1293 V CA -1.297 60.969 62.300 -0.058 0.000 0.844 1293 V CB -0.502 31.292 31.823 -0.047 0.000 1.015 1293 V HN 0.206 8.383 8.190 -0.021 0.000 0.460 1294 L N 8.903 130.034 121.223 -0.152 0.000 2.417 1294 L HA 0.236 nan 4.340 nan 0.000 0.268 1294 L C -0.474 176.287 176.870 -0.182 0.000 1.158 1294 L CA 0.564 55.245 54.840 -0.266 0.000 0.819 1294 L CB 0.584 42.318 42.059 -0.542 0.000 1.112 1294 L HN 0.614 8.762 8.230 -0.138 0.000 0.458 1295 T N -3.721 110.751 114.554 -0.136 0.000 2.865 1295 T HA 0.105 nan 4.350 nan 0.000 0.294 1295 T C -0.927 173.749 174.700 -0.041 0.000 1.119 1295 T CA -2.116 59.940 62.100 -0.073 0.000 1.007 1295 T CB 2.880 71.731 68.868 -0.029 0.000 1.225 1295 T HN -0.017 8.148 8.240 -0.125 0.000 0.515 1296 N N -0.646 118.045 118.700 -0.014 0.000 2.740 1296 N HA -0.434 nan 4.740 nan 0.000 0.248 1296 N C -0.650 174.881 175.510 0.034 0.000 1.062 1296 N CA 0.724 53.787 53.050 0.021 0.000 0.704 1296 N CB -0.462 38.051 38.487 0.043 0.000 0.968 1296 N HN 0.188 8.557 8.380 -0.018 0.000 0.547 1297 L N -3.438 117.778 121.223 -0.012 0.000 2.387 1297 L HA 0.268 nan 4.340 nan 0.000 0.266 1297 L C 0.170 177.113 176.870 0.122 0.000 1.059 1297 L CA -1.077 53.766 54.840 0.004 0.000 0.801 1297 L CB 1.608 43.500 42.059 -0.279 0.000 1.223 1297 L HN -0.249 7.850 8.230 -0.037 0.109 0.456 1298 L N 0.574 121.964 121.223 0.278 0.000 2.331 1298 L HA 0.401 nan 4.340 nan 0.000 0.278 1298 L C -1.770 175.208 176.870 0.180 0.000 1.106 1298 L CA -2.140 52.819 54.840 0.198 0.000 0.824 1298 L CB 0.218 42.384 42.059 0.177 0.000 1.142 1298 L HN 0.519 9.060 8.230 0.519 0.000 0.443 1299 P HA 0.022 nan 4.420 nan 0.000 0.271 1299 P C -0.086 177.250 177.300 0.060 0.000 1.218 1299 P CA 0.474 63.618 63.100 0.073 0.000 0.780 1299 P CB 0.199 31.929 31.700 0.049 0.000 0.901 1300 G N 0.945 109.771 108.800 0.044 0.000 2.341 1300 G HA2 -0.529 nan 3.960 nan 0.000 0.292 1300 G HA3 -0.529 nan 3.960 nan 0.000 0.292 1300 G C -0.971 173.938 174.900 0.014 0.000 1.021 1300 G CA 0.852 45.962 45.100 0.017 0.000 0.905 1300 G HN 0.479 8.704 8.290 0.044 0.091 0.508 1301 T N 1.384 115.972 114.554 0.056 0.000 2.824 1301 T HA 0.183 nan 4.350 nan 0.000 0.282 1301 T C -1.456 173.244 174.700 -0.001 0.000 0.993 1301 T CA -0.475 61.619 62.100 -0.009 0.000 0.967 1301 T CB 2.555 71.402 68.868 -0.035 0.000 0.960 1301 T HN -0.128 8.169 8.240 0.115 0.012 0.441 1302 E N 6.130 126.269 120.200 -0.101 0.000 2.229 1302 E HA 0.337 nan 4.350 nan 0.000 0.283 1302 E C -1.151 175.352 176.600 -0.161 0.000 1.030 1302 E CA -0.706 55.654 56.400 -0.066 0.000 0.836 1302 E CB 1.377 31.034 29.700 -0.072 0.000 1.068 1302 E HN 0.451 8.734 8.360 -0.128 0.000 0.401 1303 Y N 4.458 124.734 120.300 -0.040 0.000 2.446 1303 Y HA 0.591 nan 4.550 nan 0.000 0.338 1303 Y C -1.086 174.827 175.900 0.021 0.000 1.055 1303 Y CA -0.893 57.219 58.100 0.020 0.000 1.101 1303 Y CB 3.518 42.011 38.460 0.055 0.000 1.221 1303 Y HN 0.604 8.880 8.280 0.184 0.114 0.460 1304 V N 2.335 122.381 119.914 0.219 0.000 2.394 1304 V HA 0.571 nan 4.120 nan 0.000 0.282 1304 V C -1.494 174.767 176.094 0.278 0.000 1.031 1304 V CA -0.412 61.997 62.300 0.182 0.000 0.881 1304 V CB 0.423 32.314 31.823 0.114 0.000 0.982 1304 V HN 0.927 9.252 8.190 0.224 0.000 0.451 1305 V N 7.744 127.840 119.914 0.303 0.000 2.531 1305 V HA 0.714 nan 4.120 nan 0.000 0.301 1305 V C -1.846 174.370 176.094 0.204 0.000 1.034 1305 V CA -1.545 60.948 62.300 0.321 0.000 0.865 1305 V CB 2.335 34.418 31.823 0.434 0.000 0.995 1305 V HN 1.172 9.544 8.190 0.303 0.000 0.424 1306 S N 5.072 120.845 115.700 0.123 0.000 2.538 1306 S HA 0.809 nan 4.470 nan 0.000 0.288 1306 S C -1.597 172.959 174.600 -0.074 0.000 1.108 1306 S CA -1.629 56.586 58.200 0.025 0.000 0.971 1306 S CB 2.660 65.880 63.200 0.033 0.000 1.041 1306 S HN 0.868 9.269 8.310 0.151 0.000 0.483 1307 V N 3.012 122.805 119.914 -0.203 0.000 2.448 1307 V HA 0.612 nan 4.120 nan 0.000 0.295 1307 V C -1.097 174.844 176.094 -0.255 0.000 1.025 1307 V CA -1.317 60.733 62.300 -0.416 0.000 0.859 1307 V CB 1.848 33.052 31.823 -1.032 0.000 0.988 1307 V HN 0.864 8.844 8.190 -0.172 0.107 0.431 1308 S N 6.917 122.536 115.700 -0.134 0.000 2.513 1308 S HA 0.623 nan 4.470 nan 0.000 0.299 1308 S C -0.973 173.656 174.600 0.048 0.000 1.087 1308 S CA -1.660 56.523 58.200 -0.029 0.000 1.012 1308 S CB 2.567 65.757 63.200 -0.016 0.000 1.044 1308 S HN 0.770 8.888 8.310 -0.129 0.115 0.485 1309 S N 3.816 119.541 115.700 0.042 0.000 2.601 1309 S HA 0.620 nan 4.470 nan 0.000 0.271 1309 S C -1.409 173.147 174.600 -0.073 0.000 1.305 1309 S CA 0.886 59.035 58.200 -0.085 0.000 1.022 1309 S CB 0.805 63.979 63.200 -0.043 0.000 0.940 1309 S HN 0.068 8.402 8.310 0.040 0.000 0.525 1310 V N 0.854 120.691 119.914 -0.128 0.000 2.841 1310 V HA 0.620 nan 4.120 nan 0.000 0.310 1310 V C -2.099 174.018 176.094 0.039 0.000 1.090 1310 V CA -0.795 61.489 62.300 -0.027 0.000 0.930 1310 V CB 3.842 35.636 31.823 -0.048 0.000 1.014 1310 V HN 0.037 8.063 8.190 -0.274 0.000 0.425 1311 Y N 6.120 126.407 120.300 -0.021 0.000 2.301 1311 Y HA 0.342 nan 4.550 nan 0.000 0.325 1311 Y C -1.666 174.260 175.900 0.043 0.000 1.103 1311 Y CA -1.110 56.989 58.100 -0.003 0.000 1.182 1311 Y CB 2.367 40.828 38.460 0.002 0.000 1.139 1311 Y HN 0.669 8.934 8.280 0.149 0.105 0.443 1312 E N 7.134 127.051 120.200 -0.471 0.000 3.414 1312 E HA -0.586 nan 4.350 nan 0.000 0.386 1312 E C -0.467 176.050 176.600 -0.139 0.000 1.447 1312 E CA 3.057 59.266 56.400 -0.318 0.000 1.430 1312 E CB -0.990 28.537 29.700 -0.290 0.000 1.533 1312 E HN 0.571 8.620 8.360 -0.517 0.000 0.423 1313 Q N 1.594 121.338 119.800 -0.093 0.000 2.402 1313 Q HA 0.011 nan 4.340 nan 0.000 0.231 1313 Q C 0.627 176.543 176.000 -0.141 0.000 0.888 1313 Q CA 0.607 56.324 55.803 -0.143 0.000 0.938 1313 Q CB 1.556 30.162 28.738 -0.222 0.000 1.086 1313 Q HN 0.192 8.441 8.270 -0.034 0.000 0.543 1314 H N 2.437 121.521 119.070 0.024 0.000 3.026 1314 H HA -0.124 nan 4.556 nan 0.000 0.289 1314 H C -1.355 173.996 175.328 0.038 0.000 1.022 1314 H CA 1.356 57.434 56.048 0.049 0.000 1.477 1314 H CB -0.064 29.758 29.762 0.100 0.000 1.510 1314 H HN -0.302 8.050 8.280 0.120 0.000 0.535 1315 E N 5.018 125.283 120.200 0.107 0.000 2.191 1315 E HA 0.265 nan 4.350 nan 0.000 0.274 1315 E C -0.731 175.912 176.600 0.071 0.000 0.948 1315 E CA -2.351 54.086 56.400 0.062 0.000 0.802 1315 E CB 2.698 32.410 29.700 0.021 0.000 1.137 1315 E HN 0.117 8.521 8.360 0.075 0.000 0.397 1316 S N 5.527 121.257 115.700 0.050 0.000 2.632 1316 S HA 0.352 nan 4.470 nan 0.000 0.267 1316 S C 0.465 175.084 174.600 0.030 0.000 1.193 1316 S CA -0.480 57.746 58.200 0.044 0.000 1.003 1316 S CB 1.917 65.139 63.200 0.037 0.000 1.073 1316 S HN 0.215 8.547 8.310 0.037 0.000 0.553 1317 T N -2.416 112.154 114.554 0.027 0.000 2.918 1317 T HA 0.206 nan 4.350 nan 0.000 0.302 1317 T C -1.204 173.502 174.700 0.010 0.000 1.045 1317 T CA -2.221 59.890 62.100 0.019 0.000 1.114 1317 T CB -0.864 68.016 68.868 0.020 0.000 0.965 1317 T HN 0.160 8.417 8.240 0.029 0.000 0.540 1318 P HA 0.058 nan 4.420 nan 0.000 0.279 1318 P C -1.689 175.604 177.300 -0.011 0.000 1.239 1318 P CA -1.056 62.038 63.100 -0.010 0.000 0.789 1318 P CB 0.861 32.559 31.700 -0.002 0.000 0.933 1319 L N 4.161 125.360 121.223 -0.041 0.000 2.295 1319 L HA 0.159 nan 4.340 nan 0.000 0.288 1319 L C -1.594 175.267 176.870 -0.015 0.000 1.079 1319 L CA -1.102 53.719 54.840 -0.031 0.000 0.830 1319 L CB 0.680 42.696 42.059 -0.073 0.000 1.200 1319 L HN 0.619 8.688 8.230 -0.077 0.115 0.438 1320 R N 7.184 127.701 120.500 0.028 0.000 2.668 1320 R HA 0.789 nan 4.340 nan 0.000 0.279 1320 R C -0.593 175.780 176.300 0.123 0.000 0.976 1320 R CA -1.204 54.938 56.100 0.071 0.000 0.978 1320 R CB 3.085 33.424 30.300 0.065 0.000 1.133 1320 R HN -0.057 8.231 8.270 0.030 0.000 0.484 1321 G N 1.546 110.472 108.800 0.210 0.000 2.601 1321 G HA2 0.307 nan 3.960 nan 0.000 0.291 1321 G HA3 0.307 nan 3.960 nan 0.000 0.291 1321 G C -3.453 171.632 174.900 0.310 0.000 1.456 1321 G CA 0.250 45.539 45.100 0.316 0.000 0.804 1321 G HN 0.519 8.941 8.290 0.220 0.000 0.499 1322 R N -0.576 120.001 120.500 0.128 0.000 2.778 1322 R HA 0.867 nan 4.340 nan 0.000 0.277 1322 R C -1.664 174.383 176.300 -0.422 0.000 0.977 1322 R CA -1.231 54.828 56.100 -0.067 0.000 0.950 1322 R CB 3.267 33.549 30.300 -0.030 0.000 1.165 1322 R HN 0.146 8.496 8.270 0.133 0.000 0.474 1323 Q N 1.300 120.827 119.800 -0.454 0.000 2.378 1323 Q HA 0.179 nan 4.340 nan 0.000 0.262 1323 Q C -2.449 173.425 176.000 -0.209 0.000 0.978 1323 Q CA -0.483 54.979 55.803 -0.568 0.000 0.918 1323 Q CB 3.573 31.525 28.738 -1.310 0.000 1.415 1323 Q HN 0.528 8.662 8.270 -0.225 0.000 0.409 1324 K N 5.854 126.176 120.400 -0.130 0.000 2.172 1324 K HA 0.425 nan 4.320 nan 0.000 0.276 1324 K C -0.565 176.032 176.600 -0.005 0.000 1.013 1324 K CA -1.075 55.198 56.287 -0.024 0.000 0.913 1324 K CB 1.456 33.934 32.500 -0.037 0.000 1.055 1324 K HN 0.130 8.284 8.250 -0.160 0.000 0.461 1325 T N 1.557 116.152 114.554 0.068 0.000 2.828 1325 T HA 0.227 nan 4.350 nan 0.000 0.290 1325 T C 0.248 174.960 174.700 0.020 0.000 1.019 1325 T CA -1.053 61.071 62.100 0.041 0.000 1.031 1325 T CB 0.700 69.619 68.868 0.085 0.000 1.001 1325 T HN 0.268 8.490 8.240 0.146 0.106 0.531 1326 G N -0.669 108.136 108.800 0.008 0.000 2.621 1326 G HA2 0.289 nan 3.960 nan 0.000 0.271 1326 G HA3 0.289 nan 3.960 nan 0.000 0.271 1326 G C -1.882 173.022 174.900 0.008 0.000 1.236 1326 G CA -1.197 43.905 45.100 0.003 0.000 0.958 1326 G HN 0.105 8.290 8.290 0.005 0.108 0.512 1327 L N -1.529 119.694 121.223 0.000 0.000 2.312 1327 L HA 0.056 nan 4.340 nan 0.000 0.281 1327 L C -0.939 175.938 176.870 0.012 0.000 1.070 1327 L CA -0.551 54.289 54.840 0.000 0.000 0.805 1327 L CB 0.508 42.556 42.059 -0.018 0.000 1.174 1327 L HN 0.318 8.545 8.230 -0.005 0.000 0.434 1328 D N -0.112 120.302 120.400 0.024 0.000 2.313 1328 D HA -0.030 nan 4.640 nan 0.000 0.247 1328 D C -0.688 175.638 176.300 0.043 0.000 1.094 1328 D CA -0.960 53.060 54.000 0.034 0.000 0.925 1328 D CB 0.634 41.460 40.800 0.043 0.000 1.188 1328 D HN 0.027 8.411 8.370 0.024 0.000 0.430 1329 S N 1.211 116.938 115.700 0.045 0.000 2.592 1329 S HA 0.164 nan 4.470 nan 0.000 0.271 1329 S C -1.700 172.951 174.600 0.085 0.000 1.326 1329 S CA -1.164 57.067 58.200 0.053 0.000 1.024 1329 S CB 0.269 63.492 63.200 0.039 0.000 0.921 1329 S HN 0.049 8.382 8.310 0.039 0.000 0.527 1330 P HA 0.102 nan 4.420 nan 0.000 0.274 1330 P C -1.303 176.067 177.300 0.117 0.000 1.246 1330 P CA -0.359 62.842 63.100 0.168 0.000 0.795 1330 P CB 0.646 32.440 31.700 0.158 0.000 1.006 1331 T N -5.323 109.312 114.554 0.134 0.000 2.742 1331 T HA 0.187 nan 4.350 nan 0.000 0.282 1331 T C -0.129 174.626 174.700 0.091 0.000 1.025 1331 T CA -1.241 60.914 62.100 0.092 0.000 1.020 1331 T CB 2.700 71.611 68.868 0.071 0.000 1.317 1331 T HN 0.231 8.574 8.240 0.171 0.000 0.538 1332 G N -0.268 108.566 108.800 0.057 0.000 2.371 1332 G HA2 -0.326 nan 3.960 nan 0.000 0.299 1332 G HA3 -0.326 nan 3.960 nan 0.000 0.299 1332 G C -1.024 173.889 174.900 0.021 0.000 1.014 1332 G CA 0.883 46.004 45.100 0.034 0.000 1.097 1332 G HN 0.326 8.646 8.290 0.050 0.000 0.512 1333 I N -1.078 119.500 120.570 0.012 0.000 2.775 1333 I HA -0.033 nan 4.170 nan 0.000 0.290 1333 I C -1.088 174.927 176.117 -0.171 0.000 1.203 1333 I CA 0.821 62.074 61.300 -0.079 0.000 1.433 1333 I CB 0.959 38.897 38.000 -0.103 0.000 1.354 1333 I HN -0.426 7.801 8.210 0.028 0.000 0.579 1334 D N 7.817 128.035 120.400 -0.304 0.000 2.927 1334 D HA 0.258 nan 4.640 nan 0.000 0.219 1334 D C -2.063 174.097 176.300 -0.232 0.000 1.248 1334 D CA -0.821 53.058 54.000 -0.202 0.000 0.861 1334 D CB 3.666 44.402 40.800 -0.106 0.000 1.677 1334 D HN 0.245 8.434 8.370 -0.301 0.000 0.511 1335 F N 1.182 121.188 119.950 0.093 0.000 2.480 1335 F HA 0.781 nan 4.527 nan 0.000 0.329 1335 F C -0.721 175.145 175.800 0.111 0.000 1.091 1335 F CA -1.637 56.417 58.000 0.091 0.000 0.972 1335 F CB 3.197 42.084 39.000 -0.188 0.000 1.150 1335 F HN 0.152 8.650 8.300 0.329 0.000 0.467 1336 S N 0.382 116.323 115.700 0.401 0.000 2.705 1336 S HA 0.281 nan 4.470 nan 0.000 0.280 1336 S C -1.325 173.414 174.600 0.231 0.000 1.174 1336 S CA -0.516 57.845 58.200 0.268 0.000 0.823 1336 S CB 3.148 66.490 63.200 0.237 0.000 1.162 1336 S HN 0.766 9.233 8.310 0.441 0.107 0.487 1337 D N -2.098 118.392 120.400 0.151 0.000 2.708 1337 D HA -0.346 nan 4.640 nan 0.000 0.236 1337 D C -1.736 174.647 176.300 0.139 0.000 1.146 1337 D CA 1.263 55.333 54.000 0.117 0.000 0.662 1337 D CB -2.031 38.827 40.800 0.097 0.000 1.059 1337 D HN 0.418 8.860 8.370 0.121 0.000 0.428 1338 I N -2.982 117.675 120.570 0.145 0.000 2.517 1338 I HA 0.021 nan 4.170 nan 0.000 0.285 1338 I C 0.338 176.523 176.117 0.112 0.000 1.106 1338 I CA 0.688 62.087 61.300 0.166 0.000 1.402 1338 I CB 0.482 38.543 38.000 0.101 0.000 1.399 1338 I HN -0.630 7.645 8.210 0.119 0.007 0.535 1339 T N 3.605 118.228 114.554 0.115 0.000 2.598 1339 T HA 0.441 nan 4.350 nan 0.000 0.254 1339 T C -0.678 174.066 174.700 0.074 0.000 0.889 1339 T CA -1.457 60.684 62.100 0.068 0.000 1.091 1339 T CB 2.995 71.885 68.868 0.035 0.000 1.437 1339 T HN 0.751 8.981 8.240 0.154 0.101 0.542 1340 A N 0.388 123.237 122.820 0.047 0.000 2.081 1340 A HA 0.241 nan 4.320 nan 0.000 0.214 1340 A C -0.282 177.331 177.584 0.048 0.000 1.158 1340 A CA 1.927 53.995 52.037 0.052 0.000 0.724 1340 A CB 0.446 19.466 19.000 0.033 0.000 0.826 1340 A HN 0.580 8.748 8.150 0.031 0.000 0.463 1341 N N -6.805 111.902 118.700 0.012 0.000 2.377 1341 N HA 0.093 nan 4.740 nan 0.000 0.259 1341 N C -1.486 173.955 175.510 -0.115 0.000 1.332 1341 N CA -0.773 52.261 53.050 -0.027 0.000 0.877 1341 N CB 1.170 39.643 38.487 -0.023 0.000 1.299 1341 N HN -0.490 7.863 8.380 0.006 0.031 0.501 1342 S N -2.785 112.842 115.700 -0.122 0.000 2.645 1342 S HA 0.693 nan 4.470 nan 0.000 0.268 1342 S C -2.416 172.115 174.600 -0.115 0.000 1.110 1342 S CA 0.147 58.192 58.200 -0.258 0.000 0.823 1342 S CB 1.479 64.574 63.200 -0.175 0.000 1.091 1342 S HN -0.634 7.659 8.310 -0.028 0.000 0.466 1343 F N -5.877 114.024 119.950 -0.081 0.000 2.746 1343 F HA 0.507 nan 4.527 nan 0.000 0.311 1343 F C -2.502 173.280 175.800 -0.030 0.000 1.135 1343 F CA -0.675 57.312 58.000 -0.021 0.000 0.954 1343 F CB 1.435 40.447 39.000 0.021 0.000 1.276 1343 F HN 0.128 8.140 8.300 -0.481 0.000 0.440 1344 T N 2.929 117.671 114.554 0.313 0.000 2.767 1344 T HA 0.539 nan 4.350 nan 0.000 0.288 1344 T C -0.968 173.755 174.700 0.039 0.000 0.963 1344 T CA -0.204 61.934 62.100 0.062 0.000 1.019 1344 T CB 0.284 69.102 68.868 -0.082 0.000 0.923 1344 T HN 0.643 8.974 8.240 0.323 0.103 0.468 1345 V N 6.675 126.537 119.914 -0.087 0.000 2.427 1345 V HA 0.672 nan 4.120 nan 0.000 0.286 1345 V C -1.042 174.794 176.094 -0.429 0.000 1.034 1345 V CA -1.232 60.987 62.300 -0.134 0.000 0.893 1345 V CB 0.977 32.880 31.823 0.134 0.000 0.982 1345 V HN 1.155 9.192 8.190 -0.073 0.109 0.452 1346 H N 4.774 123.728 119.070 -0.194 0.000 2.747 1346 H HA 0.865 nan 4.556 nan 0.000 0.371 1346 H C -1.753 173.493 175.328 -0.136 0.000 1.161 1346 H CA -1.659 54.188 56.048 -0.335 0.000 1.167 1346 H CB 3.397 32.984 29.762 -0.292 0.000 1.732 1346 H HN 0.762 8.950 8.280 -0.153 0.000 0.544 1347 W N -2.567 118.673 121.300 -0.101 0.000 3.066 1347 W HA 0.639 nan 4.660 nan 0.000 0.330 1347 W C -2.232 174.227 176.519 -0.099 0.000 1.253 1347 W CA -1.023 56.242 57.345 -0.133 0.000 1.187 1347 W CB 2.507 31.848 29.460 -0.199 0.000 1.434 1347 W HN 0.424 8.135 8.180 -0.781 0.000 0.572 1348 I N 1.662 122.345 120.570 0.188 0.000 2.359 1348 I HA 0.198 nan 4.170 nan 0.000 0.294 1348 I C -0.110 176.162 176.117 0.257 0.000 0.987 1348 I CA -1.300 60.074 61.300 0.122 0.000 1.225 1348 I CB 1.999 40.045 38.000 0.076 0.000 1.366 1348 I HN 0.756 9.012 8.210 0.245 0.100 0.466 1349 A N 8.173 131.140 122.820 0.245 0.000 2.520 1349 A HA 0.030 nan 4.320 nan 0.000 0.235 1349 A C -1.655 176.074 177.584 0.241 0.000 1.065 1349 A CA -1.358 50.890 52.037 0.351 0.000 0.764 1349 A CB -1.382 17.799 19.000 0.301 0.000 1.002 1349 A HN 0.363 8.601 8.150 0.145 0.000 0.502 1350 P HA 0.235 nan 4.420 nan 0.000 0.278 1350 P C -1.303 176.056 177.300 0.100 0.000 1.266 1350 P CA -0.858 62.326 63.100 0.140 0.000 0.807 1350 P CB 0.980 32.751 31.700 0.118 0.000 1.094 1351 R N -0.222 120.321 120.500 0.072 0.000 2.075 1351 R HA -0.214 nan 4.340 nan 0.000 0.232 1351 R C 0.592 176.915 176.300 0.039 0.000 1.126 1351 R CA 1.026 57.158 56.100 0.054 0.000 0.963 1351 R CB 0.621 30.951 30.300 0.050 0.000 0.858 1351 R HN 0.403 9.084 8.270 0.070 -0.369 0.435 1352 A N -1.764 121.075 122.820 0.032 0.000 2.448 1352 A HA -0.016 nan 4.320 nan 0.000 0.239 1352 A C -0.954 176.622 177.584 -0.012 0.000 1.080 1352 A CA 0.290 52.333 52.037 0.009 0.000 0.779 1352 A CB 0.943 19.946 19.000 0.005 0.000 1.026 1352 A HN -0.561 7.946 8.150 0.039 -0.333 0.499 1353 T N 2.768 117.300 114.554 -0.036 0.000 2.814 1353 T HA 0.071 nan 4.350 nan 0.000 0.297 1353 T C -0.901 173.742 174.700 -0.094 0.000 0.956 1353 T CA 1.629 63.685 62.100 -0.072 0.000 1.123 1353 T CB -0.070 68.750 68.868 -0.081 0.000 0.902 1353 T HN 0.280 8.501 8.240 -0.031 0.000 0.528 1354 I N 1.575 122.067 120.570 -0.130 0.000 3.145 1354 I HA 0.710 nan 4.170 nan 0.000 0.313 1354 I C -0.865 175.154 176.117 -0.163 0.000 1.122 1354 I CA -2.364 58.843 61.300 -0.155 0.000 0.987 1354 I CB 3.804 41.666 38.000 -0.230 0.000 1.236 1354 I HN -0.377 7.750 8.210 -0.140 0.000 0.453 1355 T N -4.243 110.239 114.554 -0.119 0.000 2.971 1355 T HA 0.443 nan 4.350 nan 0.000 0.252 1355 T C 0.104 174.833 174.700 0.048 0.000 1.022 1355 T CA -0.934 61.156 62.100 -0.017 0.000 0.980 1355 T CB 1.509 70.367 68.868 -0.016 0.000 1.044 1355 T HN 0.813 8.863 8.240 -0.138 0.108 0.501 1356 G N 1.099 109.826 108.800 -0.120 0.000 2.348 1356 G HA2 0.388 nan 3.960 nan 0.000 0.296 1356 G HA3 0.388 nan 3.960 nan 0.000 0.296 1356 G C -3.440 171.211 174.900 -0.416 0.000 1.258 1356 G CA 1.034 46.070 45.100 -0.107 0.000 0.868 1356 G HN -0.796 7.351 8.290 -0.238 0.000 0.488 1357 Y N -3.280 117.036 120.300 0.027 0.000 2.597 1357 Y HA 0.635 nan 4.550 nan 0.000 0.340 1357 Y C -2.367 173.476 175.900 -0.094 0.000 1.097 1357 Y CA -1.088 56.962 58.100 -0.083 0.000 1.037 1357 Y CB 5.114 43.442 38.460 -0.219 0.000 1.305 1357 Y HN -0.260 8.143 8.280 0.205 0.000 0.463 1358 R N 1.709 122.229 120.500 0.033 0.000 2.388 1358 R HA 0.614 nan 4.340 nan 0.000 0.314 1358 R C -1.659 174.605 176.300 -0.059 0.000 0.959 1358 R CA -1.238 54.860 56.100 -0.002 0.000 0.851 1358 R CB 2.183 32.482 30.300 -0.001 0.000 1.168 1358 R HN 0.410 8.689 8.270 0.016 0.000 0.472 1359 I N 7.525 128.055 120.570 -0.067 0.000 2.428 1359 I HA 0.543 nan 4.170 nan 0.000 0.296 1359 I C -2.075 174.060 176.117 0.029 0.000 0.985 1359 I CA -0.539 60.712 61.300 -0.081 0.000 1.260 1359 I CB 1.619 39.560 38.000 -0.097 0.000 1.389 1359 I HN 0.672 8.866 8.210 -0.026 0.000 0.484 1360 R N 6.178 126.716 120.500 0.064 0.000 2.621 1360 R HA 0.840 nan 4.340 nan 0.000 0.284 1360 R C -2.438 173.965 176.300 0.171 0.000 0.998 1360 R CA -0.991 55.168 56.100 0.098 0.000 0.895 1360 R CB 3.378 33.715 30.300 0.061 0.000 1.195 1360 R HN 0.950 9.246 8.270 0.044 0.000 0.450 1361 H N 4.255 123.344 119.070 0.031 0.000 2.961 1361 H HA 0.978 nan 4.556 nan 0.000 0.371 1361 H C -2.594 172.759 175.328 0.042 0.000 1.190 1361 H CA -1.687 54.380 56.048 0.033 0.000 1.138 1361 H CB 3.632 33.407 29.762 0.022 0.000 1.816 1361 H HN 0.410 8.637 8.280 -0.088 0.000 0.551 1362 H N -3.299 115.793 119.070 0.037 0.000 3.060 1362 H HA 0.434 nan 4.556 nan 0.000 0.330 1362 H C -3.241 172.040 175.328 -0.079 0.000 1.305 1362 H CA -1.614 54.289 56.048 -0.240 0.000 1.209 1362 H CB 1.397 30.612 29.762 -0.911 0.000 1.913 1362 H HN 0.266 8.501 8.280 -0.075 0.000 0.534 1363 P HA 0.230 nan 4.420 nan 0.000 0.297 1363 P C -0.529 176.839 177.300 0.114 0.000 1.307 1363 P CA -0.931 62.004 63.100 -0.275 0.000 0.773 1363 P CB 1.798 33.272 31.700 -0.377 0.000 1.265 1364 E N -1.302 118.874 120.200 -0.039 0.000 2.085 1364 E HA -0.382 nan 4.350 nan 0.000 0.194 1364 E C -0.592 176.069 176.600 0.102 0.000 0.994 1364 E CA 2.242 58.610 56.400 -0.053 0.000 0.801 1364 E CB -0.050 29.411 29.700 -0.399 0.000 0.743 1364 E HN 0.421 8.672 8.360 -0.182 0.000 0.453 1365 H N -1.376 117.831 119.070 0.228 0.000 2.589 1365 H HA 0.291 nan 4.556 nan 0.000 0.351 1365 H C -1.248 174.248 175.328 0.279 0.000 1.074 1365 H CA -1.315 54.830 56.048 0.161 0.000 1.203 1365 H CB 1.229 31.015 29.762 0.041 0.000 1.558 1365 H HN -0.343 7.953 8.280 0.027 0.000 0.522 1366 F N 0.308 120.334 119.950 0.126 0.000 2.628 1366 F HA 0.347 nan 4.527 nan 0.000 0.309 1366 F C -0.362 175.454 175.800 0.027 0.000 1.108 1366 F CA -0.828 57.212 58.000 0.066 0.000 0.971 1366 F CB 1.028 40.065 39.000 0.061 0.000 1.279 1366 F HN -0.262 7.857 8.300 -0.301 0.000 0.441 1367 S N 1.372 117.094 115.700 0.037 0.000 2.344 1367 S HA -0.082 nan 4.470 nan 0.000 0.217 1367 S C 0.805 175.368 174.600 -0.062 0.000 1.033 1367 S CA 2.349 60.521 58.200 -0.045 0.000 1.017 1367 S CB -0.134 63.076 63.200 0.015 0.000 0.941 1367 S HN 0.737 9.131 8.310 0.141 0.000 0.430 1368 G N 1.252 110.095 108.800 0.072 0.000 3.441 1368 G HA2 0.135 nan 3.960 nan 0.000 0.195 1368 G HA3 0.135 nan 3.960 nan 0.000 0.195 1368 G C -1.365 173.637 174.900 0.170 0.000 1.633 1368 G CA -0.360 44.784 45.100 0.074 0.000 0.895 1368 G HN -0.209 8.168 8.290 0.145 0.000 0.654 1369 R N 1.878 122.463 120.500 0.141 0.000 2.308 1369 R HA 0.232 nan 4.340 nan 0.000 0.305 1369 R C -2.320 174.053 176.300 0.121 0.000 1.053 1369 R CA -1.677 54.504 56.100 0.135 0.000 0.957 1369 R CB 0.807 31.145 30.300 0.064 0.000 1.022 1369 R HN 0.118 8.447 8.270 0.098 0.000 0.461 1370 P HA -0.002 nan 4.420 nan 0.000 0.268 1370 P C -1.095 176.126 177.300 -0.132 0.000 1.205 1370 P CA -0.178 62.828 63.100 -0.156 0.000 0.771 1370 P CB 0.600 32.186 31.700 -0.189 0.000 0.858 1371 R N 2.985 123.337 120.500 -0.247 0.000 2.491 1371 R HA -0.003 nan 4.340 nan 0.000 0.283 1371 R C -0.876 175.354 176.300 -0.116 0.000 1.072 1371 R CA -0.663 55.331 56.100 -0.177 0.000 1.048 1371 R CB -0.055 30.131 30.300 -0.189 0.000 0.983 1371 R HN 0.279 8.323 8.270 -0.377 0.000 0.450 1372 E N 1.454 121.649 120.200 -0.008 0.000 2.336 1372 E HA 0.646 nan 4.350 nan 0.000 0.267 1372 E C -1.328 175.304 176.600 0.055 0.000 0.906 1372 E CA -1.221 55.202 56.400 0.037 0.000 0.781 1372 E CB 3.206 32.919 29.700 0.021 0.000 1.261 1372 E HN 0.141 8.500 8.360 -0.003 0.000 0.436 1373 D N 1.234 121.669 120.400 0.057 0.000 2.780 1373 D HA 0.295 nan 4.640 nan 0.000 0.242 1373 D C -1.409 174.919 176.300 0.048 0.000 1.135 1373 D CA -0.508 53.523 54.000 0.051 0.000 0.859 1373 D CB 3.270 44.103 40.800 0.055 0.000 1.530 1373 D HN 0.457 8.859 8.370 0.054 0.000 0.493 1374 R N 1.213 121.745 120.500 0.052 0.000 2.337 1374 R HA 0.636 nan 4.340 nan 0.000 0.319 1374 R C -0.423 175.927 176.300 0.084 0.000 0.954 1374 R CA -1.130 55.006 56.100 0.060 0.000 0.840 1374 R CB 0.801 31.126 30.300 0.042 0.000 1.164 1374 R HN 0.211 8.510 8.270 0.048 0.000 0.472 1375 V N 0.986 120.980 119.914 0.135 0.000 3.019 1375 V HA 0.719 nan 4.120 nan 0.000 0.317 1375 V C -2.499 173.705 176.094 0.182 0.000 1.094 1375 V CA -4.494 57.904 62.300 0.164 0.000 1.000 1375 V CB 0.592 32.553 31.823 0.231 0.000 1.060 1375 V HN 0.484 8.768 8.190 0.157 0.000 0.443 1376 P HA 0.379 nan 4.420 nan 0.000 0.276 1376 P C 0.313 177.706 177.300 0.155 0.000 1.252 1376 P CA -0.425 62.733 63.100 0.097 0.000 0.802 1376 P CB 1.014 32.714 31.700 0.000 0.000 1.035 1377 H N 0.492 119.635 119.070 0.122 0.000 2.518 1377 H HA -0.361 nan 4.556 nan 0.000 0.289 1377 H C 0.975 176.450 175.328 0.246 0.000 1.051 1377 H CA 3.534 59.674 56.048 0.153 0.000 1.280 1377 H CB -0.716 29.061 29.762 0.024 0.000 1.380 1377 H HN 0.270 8.635 8.280 0.204 0.037 0.566 1378 S N -1.114 114.351 115.700 -0.392 0.000 2.481 1378 S HA -0.137 nan 4.470 nan 0.000 0.231 1378 S C 0.531 175.113 174.600 -0.030 0.000 0.996 1378 S CA 1.073 59.134 58.200 -0.232 0.000 0.942 1378 S CB -0.219 62.806 63.200 -0.292 0.000 0.768 1378 S HN -0.031 7.924 8.310 -0.507 0.052 0.520 1379 R N 2.191 122.737 120.500 0.076 0.000 2.349 1379 R HA 0.100 nan 4.340 nan 0.000 0.299 1379 R C -1.152 175.082 176.300 -0.111 0.000 1.027 1379 R CA -0.135 55.976 56.100 0.018 0.000 0.958 1379 R CB 0.849 31.207 30.300 0.097 0.000 1.047 1379 R HN -0.360 7.845 8.270 0.159 0.160 0.468 1380 N N 0.719 119.095 118.700 -0.539 0.000 2.241 1380 N HA 0.040 nan 4.740 nan 0.000 0.238 1380 N C -1.969 172.389 175.510 -1.919 0.000 1.244 1380 N CA -0.627 51.649 53.050 -1.290 0.000 0.880 1380 N CB 1.337 39.406 38.487 -0.697 0.000 1.179 1380 N HN 0.309 8.436 8.380 -0.423 0.000 0.513 1381 S N -1.750 113.083 115.700 -1.445 0.000 2.587 1381 S HA 0.617 nan 4.470 nan 0.000 0.269 1381 S C -2.797 171.535 174.600 -0.446 0.000 1.154 1381 S CA -0.242 57.334 58.200 -1.039 0.000 0.824 1381 S CB 2.828 65.637 63.200 -0.652 0.000 1.118 1381 S HN -0.926 6.831 8.310 -0.922 0.000 0.462 1382 I N -0.966 119.474 120.570 -0.216 0.000 2.787 1382 I HA 0.296 nan 4.170 nan 0.000 0.294 1382 I C -2.782 173.272 176.117 -0.105 0.000 1.365 1382 I CA -0.202 61.065 61.300 -0.055 0.000 1.029 1382 I CB 3.836 41.906 38.000 0.117 0.000 1.313 1382 I HN 0.756 8.694 8.210 -0.289 0.099 0.431 1383 T N 8.445 122.931 114.554 -0.115 0.000 2.753 1383 T HA 0.457 nan 4.350 nan 0.000 0.297 1383 T C -0.369 174.206 174.700 -0.208 0.000 0.981 1383 T CA -0.420 61.597 62.100 -0.137 0.000 0.956 1383 T CB -0.299 68.505 68.868 -0.106 0.000 0.936 1383 T HN 0.241 8.422 8.240 -0.098 0.000 0.463 1384 L N 8.470 129.475 121.223 -0.364 0.000 2.305 1384 L HA 0.289 nan 4.340 nan 0.000 0.281 1384 L C -0.407 176.167 176.870 -0.494 0.000 1.085 1384 L CA -0.304 54.214 54.840 -0.538 0.000 0.813 1384 L CB 0.706 42.187 42.059 -0.964 0.000 1.157 1384 L HN 0.670 8.669 8.230 -0.385 0.000 0.436 1385 T N -2.936 111.418 114.554 -0.333 0.000 2.926 1385 T HA 0.449 nan 4.350 nan 0.000 0.289 1385 T C -0.066 174.525 174.700 -0.181 0.000 1.054 1385 T CA -1.716 60.245 62.100 -0.232 0.000 1.015 1385 T CB 2.426 71.212 68.868 -0.137 0.000 1.167 1385 T HN 0.222 8.293 8.240 -0.281 0.000 0.526 1386 N N -3.325 115.303 118.700 -0.121 0.000 2.776 1386 N HA -0.380 nan 4.740 nan 0.000 0.249 1386 N C -0.560 174.917 175.510 -0.055 0.000 1.111 1386 N CA 1.199 54.211 53.050 -0.063 0.000 0.711 1386 N CB -1.598 36.871 38.487 -0.031 0.000 1.065 1386 N HN 0.203 8.515 8.380 -0.113 0.000 0.556 1387 L N -2.710 118.441 121.223 -0.120 0.000 2.399 1387 L HA 0.264 nan 4.340 nan 0.000 0.266 1387 L C 0.869 177.789 176.870 0.083 0.000 1.114 1387 L CA -0.282 54.508 54.840 -0.084 0.000 0.804 1387 L CB 1.250 43.080 42.059 -0.382 0.000 1.146 1387 L HN -0.200 7.812 8.230 -0.162 0.122 0.451 1388 T N -1.055 113.641 114.554 0.237 0.000 2.897 1388 T HA 0.414 nan 4.350 nan 0.000 0.294 1388 T C -1.614 173.188 174.700 0.169 0.000 1.004 1388 T CA -2.794 59.408 62.100 0.170 0.000 1.106 1388 T CB -0.369 68.593 68.868 0.157 0.000 0.949 1388 T HN 0.538 9.036 8.240 0.430 0.000 0.520 1389 P HA -0.264 nan 4.420 nan 0.000 0.268 1389 P C 0.566 177.916 177.300 0.083 0.000 1.208 1389 P CA 0.455 63.608 63.100 0.088 0.000 0.777 1389 P CB 0.079 31.813 31.700 0.057 0.000 0.875 1390 G N 1.149 109.996 108.800 0.079 0.000 2.390 1390 G HA2 -0.527 nan 3.960 nan 0.000 0.299 1390 G HA3 -0.527 nan 3.960 nan 0.000 0.299 1390 G C -0.940 173.981 174.900 0.034 0.000 1.002 1390 G CA 0.793 45.925 45.100 0.052 0.000 0.979 1390 G HN 0.133 8.370 8.290 0.084 0.104 0.513 1391 T N 0.934 115.530 114.554 0.069 0.000 2.841 1391 T HA 0.163 nan 4.350 nan 0.000 0.283 1391 T C -1.383 173.264 174.700 -0.088 0.000 1.000 1391 T CA -0.602 61.469 62.100 -0.049 0.000 0.977 1391 T CB 2.765 71.567 68.868 -0.110 0.000 0.979 1391 T HN -0.165 8.163 8.240 0.151 0.003 0.446 1392 E N 5.875 125.951 120.200 -0.206 0.000 2.289 1392 E HA 0.114 nan 4.350 nan 0.000 0.278 1392 E C -1.625 174.775 176.600 -0.334 0.000 1.032 1392 E CA -1.080 55.216 56.400 -0.174 0.000 0.854 1392 E CB 0.922 30.533 29.700 -0.148 0.000 1.046 1392 E HN 0.385 8.618 8.360 -0.212 0.000 0.409 1393 Y N 2.891 123.171 120.300 -0.032 0.000 2.409 1393 Y HA 0.308 nan 4.550 nan 0.000 0.343 1393 Y C -0.799 175.041 175.900 -0.100 0.000 0.973 1393 Y CA -1.095 56.997 58.100 -0.012 0.000 1.064 1393 Y CB 3.639 42.227 38.460 0.213 0.000 1.207 1393 Y HN 0.373 8.577 8.280 0.088 0.129 0.452 1394 V N 4.027 123.867 119.914 -0.124 0.000 2.383 1394 V HA 0.404 nan 4.120 nan 0.000 0.275 1394 V C -1.364 174.707 176.094 -0.037 0.000 1.036 1394 V CA -0.229 61.968 62.300 -0.172 0.000 0.889 1394 V CB -0.025 31.544 31.823 -0.424 0.000 0.985 1394 V HN 0.906 8.910 8.190 -0.310 0.000 0.459 1395 V N 8.669 128.672 119.914 0.148 0.000 2.417 1395 V HA 0.642 nan 4.120 nan 0.000 0.291 1395 V C -1.396 174.777 176.094 0.132 0.000 1.024 1395 V CA -1.970 60.459 62.300 0.215 0.000 0.861 1395 V CB 1.258 33.314 31.823 0.390 0.000 0.985 1395 V HN 0.977 9.156 8.190 0.173 0.115 0.436 1396 S N 5.403 121.155 115.700 0.086 0.000 2.500 1396 S HA 0.906 nan 4.470 nan 0.000 0.301 1396 S C -1.463 173.112 174.600 -0.041 0.000 1.092 1396 S CA -2.002 56.220 58.200 0.036 0.000 1.030 1396 S CB 2.358 65.595 63.200 0.061 0.000 1.031 1396 S HN 0.924 9.187 8.310 0.102 0.108 0.483 1397 I N 1.682 122.189 120.570 -0.106 0.000 2.533 1397 I HA 0.655 nan 4.170 nan 0.000 0.290 1397 I C -1.900 174.134 176.117 -0.137 0.000 1.056 1397 I CA -0.723 60.437 61.300 -0.233 0.000 1.057 1397 I CB 3.240 40.924 38.000 -0.526 0.000 1.240 1397 I HN 0.565 8.733 8.210 -0.071 0.000 0.423 1398 V N 0.901 120.761 119.914 -0.089 0.000 2.735 1398 V HA 0.875 nan 4.120 nan 0.000 0.310 1398 V C -1.984 174.111 176.094 0.001 0.000 1.061 1398 V CA -3.451 58.831 62.300 -0.030 0.000 0.913 1398 V CB 3.710 35.520 31.823 -0.022 0.000 1.005 1398 V HN 0.251 8.382 8.190 -0.098 0.000 0.428 1399 A N 3.917 126.732 122.820 -0.009 0.000 2.316 1399 A HA 0.962 nan 4.320 nan 0.000 0.284 1399 A C -1.991 175.503 177.584 -0.151 0.000 1.115 1399 A CA -1.599 50.344 52.037 -0.157 0.000 0.812 1399 A CB 1.249 20.174 19.000 -0.124 0.000 1.064 1399 A HN 0.374 8.524 8.150 -0.000 0.000 0.489 1400 L N -1.432 119.661 121.223 -0.216 0.000 2.350 1400 L HA 0.634 nan 4.340 nan 0.000 0.260 1400 L C -1.678 175.118 176.870 -0.124 0.000 1.015 1400 L CA -0.905 53.860 54.840 -0.125 0.000 0.821 1400 L CB 3.602 45.608 42.059 -0.087 0.000 1.370 1400 L HN 0.260 8.272 8.230 -0.363 0.000 0.416 1401 N N -0.335 118.317 118.700 -0.080 0.000 2.701 1401 N HA 0.238 nan 4.740 nan 0.000 0.258 1401 N C 0.125 175.607 175.510 -0.047 0.000 1.262 1401 N CA -0.538 52.470 53.050 -0.070 0.000 0.780 1401 N CB 1.584 40.028 38.487 -0.071 0.000 1.380 1401 N HN 0.495 8.737 8.380 -0.063 0.100 0.548 1402 G N 6.961 115.738 108.800 -0.038 0.000 2.550 1402 G HA2 -0.435 nan 3.960 nan 0.000 0.277 1402 G HA3 -0.435 nan 3.960 nan 0.000 0.277 1402 G C -1.220 173.666 174.900 -0.024 0.000 1.190 1402 G CA 0.474 45.558 45.100 -0.026 0.000 0.971 1402 G HN -0.169 8.097 8.290 -0.039 0.000 0.559 1403 R N 2.289 122.778 120.500 -0.019 0.000 2.323 1403 R HA -0.100 nan 4.340 nan 0.000 0.198 1403 R C -0.269 176.020 176.300 -0.019 0.000 0.988 1403 R CA 0.493 56.583 56.100 -0.016 0.000 1.041 1403 R CB -0.438 29.856 30.300 -0.011 0.000 0.926 1403 R HN 0.083 8.342 8.270 -0.018 0.000 0.476 1404 E N 2.083 122.267 120.200 -0.025 0.000 2.289 1404 E HA 0.054 nan 4.350 nan 0.000 0.278 1404 E C -1.339 175.242 176.600 -0.032 0.000 1.032 1404 E CA -0.480 55.904 56.400 -0.027 0.000 0.854 1404 E CB 0.737 30.419 29.700 -0.030 0.000 1.046 1404 E HN -0.318 7.842 8.360 -0.029 0.183 0.409 1405 E N 1.679 121.864 120.200 -0.025 0.000 2.277 1405 E HA 0.658 nan 4.350 nan 0.000 0.266 1405 E C -0.933 175.656 176.600 -0.019 0.000 0.901 1405 E CA -1.892 54.493 56.400 -0.026 0.000 0.782 1405 E CB 3.977 33.667 29.700 -0.017 0.000 1.228 1405 E HN 0.211 8.560 8.360 -0.018 0.000 0.424 1406 S N 2.805 118.494 115.700 -0.019 0.000 2.745 1406 S HA 0.380 nan 4.470 nan 0.000 0.292 1406 S C -1.881 172.720 174.600 0.001 0.000 1.133 1406 S CA -2.569 55.627 58.200 -0.006 0.000 0.998 1406 S CB 0.062 63.261 63.200 -0.001 0.000 1.087 1406 S HN 0.051 8.346 8.310 -0.026 0.000 0.551 1407 P HA -0.004 nan 4.420 nan 0.000 0.273 1407 P C -1.336 175.971 177.300 0.011 0.000 1.250 1407 P CA -0.403 62.704 63.100 0.012 0.000 0.793 1407 P CB 0.537 32.247 31.700 0.016 0.000 1.011 1408 L N -1.971 119.261 121.223 0.014 0.000 2.417 1408 L HA 0.084 nan 4.340 nan 0.000 0.268 1408 L C -0.489 176.390 176.870 0.014 0.000 1.158 1408 L CA -0.454 54.393 54.840 0.012 0.000 0.819 1408 L CB 0.347 42.420 42.059 0.023 0.000 1.112 1408 L HN -0.290 7.951 8.230 0.018 0.000 0.458 1409 L N 2.141 123.364 121.223 -0.001 0.000 2.305 1409 L HA 0.413 nan 4.340 nan 0.000 0.284 1409 L C -2.120 174.759 176.870 0.014 0.000 1.013 1409 L CA -0.679 54.165 54.840 0.006 0.000 0.819 1409 L CB 1.899 43.949 42.059 -0.015 0.000 1.227 1409 L HN 0.296 8.513 8.230 -0.021 0.000 0.417 1410 I N 5.657 126.252 120.570 0.042 0.000 2.740 1410 I HA 0.741 nan 4.170 nan 0.000 0.303 1410 I C -1.340 174.837 176.117 0.101 0.000 1.044 1410 I CA -2.518 58.822 61.300 0.067 0.000 1.064 1410 I CB 3.535 41.576 38.000 0.068 0.000 1.249 1410 I HN 0.066 8.302 8.210 0.044 0.000 0.433 1411 G N 4.008 112.901 108.800 0.155 0.000 2.608 1411 G HA2 0.355 nan 3.960 nan 0.000 0.291 1411 G HA3 0.355 nan 3.960 nan 0.000 0.291 1411 G C -3.627 171.402 174.900 0.216 0.000 1.425 1411 G CA 0.398 45.645 45.100 0.245 0.000 0.787 1411 G HN 0.202 8.581 8.290 0.148 0.000 0.484 1412 Q N -1.630 118.231 119.800 0.102 0.000 2.359 1412 Q HA 0.673 nan 4.340 nan 0.000 0.274 1412 Q C -1.989 173.694 176.000 -0.529 0.000 1.074 1412 Q CA -1.059 54.672 55.803 -0.120 0.000 0.810 1412 Q CB 4.359 33.043 28.738 -0.090 0.000 1.342 1412 Q HN -0.037 8.313 8.270 0.134 0.000 0.427 1413 Q N 2.638 122.062 119.800 -0.628 0.000 2.327 1413 Q HA 0.283 nan 4.340 nan 0.000 0.265 1413 Q C -2.116 173.635 176.000 -0.415 0.000 0.993 1413 Q CA -0.608 54.622 55.803 -0.955 0.000 0.885 1413 Q CB 3.620 31.024 28.738 -2.224 0.000 1.379 1413 Q HN 0.698 8.680 8.270 -0.313 0.100 0.408 1414 S N 5.835 121.374 115.700 -0.268 0.000 2.541 1414 S HA 0.546 nan 4.470 nan 0.000 0.283 1414 S C -0.583 174.050 174.600 0.055 0.000 1.196 1414 S CA -0.717 57.462 58.200 -0.034 0.000 1.062 1414 S CB 1.631 64.796 63.200 -0.058 0.000 1.009 1414 S HN 0.244 8.354 8.310 -0.332 0.000 0.502 1415 T N -0.121 114.568 114.554 0.225 0.000 2.882 1415 T HA 0.100 nan 4.350 nan 0.000 0.287 1415 T C 0.245 175.013 174.700 0.114 0.000 1.014 1415 T CA -1.198 61.039 62.100 0.228 0.000 1.049 1415 T CB 0.952 69.979 68.868 0.266 0.000 1.001 1415 T HN 0.095 8.397 8.240 0.285 0.109 0.525 1416 V N 1.908 121.878 119.914 0.093 0.000 2.843 1416 V HA 0.056 nan 4.120 nan 0.000 0.305 1416 V C 0.618 176.747 176.094 0.059 0.000 1.065 1416 V CA 0.398 62.734 62.300 0.060 0.000 1.116 1416 V CB 0.913 32.769 31.823 0.054 0.000 0.968 1416 V HN 0.663 8.829 8.190 0.111 0.091 0.487 1417 S N 2.695 118.423 115.700 0.047 0.000 2.513 1417 S HA 0.151 nan 4.470 nan 0.000 0.276 1417 S C -0.276 174.351 174.600 0.046 0.000 1.254 1417 S CA -1.355 56.871 58.200 0.044 0.000 1.053 1417 S CB 1.125 64.347 63.200 0.036 0.000 0.958 1417 S HN 0.234 8.568 8.310 0.041 0.000 0.491 1418 D N 4.622 125.047 120.400 0.042 0.000 2.340 1418 D HA 0.004 nan 4.640 nan 0.000 0.217 1418 D C -0.376 175.952 176.300 0.046 0.000 1.081 1418 D CA -0.978 53.045 54.000 0.038 0.000 0.842 1418 D CB -0.256 40.556 40.800 0.020 0.000 0.934 1418 D HN 0.141 8.535 8.370 0.040 0.000 0.511 1419 V N 1.959 121.901 119.914 0.046 0.000 2.498 1419 V HA 0.247 nan 4.120 nan 0.000 0.279 1419 V C -1.942 174.190 176.094 0.064 0.000 1.048 1419 V CA -2.386 59.937 62.300 0.038 0.000 0.967 1419 V CB -0.204 31.628 31.823 0.015 0.000 0.988 1419 V HN -0.659 7.471 8.190 0.042 0.085 0.473 1420 P HA 0.195 nan 4.420 nan 0.000 0.271 1420 P C -1.864 175.482 177.300 0.075 0.000 1.244 1420 P CA -0.021 63.152 63.100 0.123 0.000 0.793 1420 P CB 0.673 32.377 31.700 0.006 0.000 0.984 1421 R N -1.201 119.373 120.500 0.124 0.000 2.817 1421 R HA 0.271 nan 4.340 nan 0.000 0.268 1421 R C -1.077 175.286 176.300 0.105 0.000 1.027 1421 R CA -1.472 54.678 56.100 0.083 0.000 0.928 1421 R CB 2.724 33.062 30.300 0.063 0.000 1.228 1421 R HN 0.435 8.826 8.270 0.201 0.000 0.469 1422 D N -3.329 117.112 120.400 0.068 0.000 2.701 1422 D HA -0.364 nan 4.640 nan 0.000 0.235 1422 D C -1.341 175.015 176.300 0.094 0.000 1.155 1422 D CA 1.272 55.310 54.000 0.064 0.000 0.649 1422 D CB -1.078 39.751 40.800 0.047 0.000 1.050 1422 D HN 0.225 8.624 8.370 0.048 0.000 0.425 1423 L N -2.884 118.401 121.223 0.103 0.000 2.455 1423 L HA 0.018 nan 4.340 nan 0.000 0.272 1423 L C -0.513 176.410 176.870 0.088 0.000 1.174 1423 L CA 0.700 55.620 54.840 0.133 0.000 0.869 1423 L CB 0.829 42.913 42.059 0.042 0.000 1.130 1423 L HN -0.661 7.599 8.230 0.069 0.012 0.474 1424 E N 5.580 125.836 120.200 0.094 0.000 2.437 1424 E HA 0.184 nan 4.350 nan 0.000 0.280 1424 E C -2.189 174.423 176.600 0.019 0.000 1.044 1424 E CA -1.482 54.950 56.400 0.054 0.000 0.826 1424 E CB 4.775 34.499 29.700 0.041 0.000 1.358 1424 E HN 0.760 9.200 8.360 0.134 0.000 0.459 1425 V N 2.078 121.972 119.914 -0.034 0.000 2.348 1425 V HA 0.332 nan 4.120 nan 0.000 0.270 1425 V C -0.118 175.919 176.094 -0.095 0.000 1.037 1425 V CA 0.202 62.421 62.300 -0.136 0.000 0.872 1425 V CB -0.145 31.440 31.823 -0.396 0.000 1.002 1425 V HN 0.133 8.322 8.190 -0.001 0.000 0.464 1426 V N 9.334 129.201 119.914 -0.079 0.000 2.446 1426 V HA 0.016 nan 4.120 nan 0.000 0.244 1426 V C -0.376 175.680 176.094 -0.062 0.000 1.039 1426 V CA 2.047 64.311 62.300 -0.060 0.000 1.045 1426 V CB 0.746 32.533 31.823 -0.059 0.000 0.681 1426 V HN 0.956 9.100 8.190 -0.077 0.000 0.459 1427 A N -3.052 119.719 122.820 -0.083 0.000 2.530 1427 A HA 0.472 nan 4.320 nan 0.000 0.288 1427 A C -2.705 174.816 177.584 -0.105 0.000 1.172 1427 A CA -1.118 50.877 52.037 -0.071 0.000 0.733 1427 A CB 2.916 21.882 19.000 -0.057 0.000 1.320 1427 A HN -0.603 7.487 8.150 -0.100 0.000 0.419 1428 A N -2.079 120.698 122.820 -0.073 0.000 2.583 1428 A HA 0.449 nan 4.320 nan 0.000 0.298 1428 A C -1.642 175.931 177.584 -0.018 0.000 1.055 1428 A CA 0.435 52.428 52.037 -0.073 0.000 0.714 1428 A CB 1.714 20.654 19.000 -0.101 0.000 1.277 1428 A HN -0.002 8.122 8.150 -0.045 0.000 0.406 1429 T N -2.320 112.226 114.554 -0.013 0.000 2.858 1429 T HA 0.502 nan 4.350 nan 0.000 0.285 1429 T C -1.448 173.271 174.700 0.032 0.000 1.052 1429 T CA -3.026 59.078 62.100 0.006 0.000 1.009 1429 T CB -0.191 68.671 68.868 -0.010 0.000 1.241 1429 T HN 0.140 8.250 8.240 -0.030 0.113 0.542 1430 P HA 0.006 nan 4.420 nan 0.000 0.239 1430 P C -0.869 176.466 177.300 0.059 0.000 1.184 1430 P CA 1.169 64.301 63.100 0.054 0.000 0.760 1430 P CB 0.166 31.890 31.700 0.041 0.000 0.884 1431 T N -8.238 106.335 114.554 0.032 0.000 3.403 1431 T HA 0.242 nan 4.350 nan 0.000 0.308 1431 T C -1.123 173.554 174.700 -0.038 0.000 0.952 1431 T CA -0.977 61.135 62.100 0.020 0.000 0.970 1431 T CB 0.831 69.706 68.868 0.011 0.000 1.189 1431 T HN -0.497 7.682 8.240 0.014 0.069 0.528 1432 S N 0.061 115.732 115.700 -0.048 0.000 2.615 1432 S HA 0.656 nan 4.470 nan 0.000 0.269 1432 S C -2.323 172.205 174.600 -0.120 0.000 1.161 1432 S CA -0.951 57.182 58.200 -0.112 0.000 0.817 1432 S CB 1.561 64.701 63.200 -0.100 0.000 1.131 1432 S HN -0.471 7.733 8.310 -0.012 0.098 0.467 1433 L N 0.725 121.847 121.223 -0.167 0.000 2.493 1433 L HA 0.462 nan 4.340 nan 0.000 0.265 1433 L C -2.352 174.433 176.870 -0.142 0.000 0.954 1433 L CA -0.637 54.086 54.840 -0.194 0.000 0.844 1433 L CB 4.633 46.538 42.059 -0.257 0.000 1.302 1433 L HN 0.043 8.163 8.230 -0.184 0.000 0.405 1434 L N 4.663 125.813 121.223 -0.122 0.000 2.262 1434 L HA 0.717 nan 4.340 nan 0.000 0.288 1434 L C -1.892 174.946 176.870 -0.054 0.000 1.035 1434 L CA -0.977 53.821 54.840 -0.069 0.000 0.820 1434 L CB 1.448 43.467 42.059 -0.066 0.000 1.204 1434 L HN 0.376 8.409 8.230 -0.146 0.109 0.424 1435 I N 2.322 122.903 120.570 0.019 0.000 2.676 1435 I HA 0.907 nan 4.170 nan 0.000 0.309 1435 I C -1.957 174.226 176.117 0.109 0.000 0.990 1435 I CA -2.204 59.145 61.300 0.082 0.000 1.168 1435 I CB 2.086 40.177 38.000 0.152 0.000 1.343 1435 I HN 0.975 9.218 8.210 0.055 0.000 0.482 1436 S N 1.265 117.032 115.700 0.112 0.000 2.564 1436 S HA 0.816 nan 4.470 nan 0.000 0.274 1436 S C -2.519 172.159 174.600 0.129 0.000 1.124 1436 S CA -1.006 57.151 58.200 -0.071 0.000 0.869 1436 S CB 3.069 66.189 63.200 -0.134 0.000 1.105 1436 S HN 0.678 9.067 8.310 0.132 0.000 0.472 1437 W N 0.749 121.975 121.300 -0.123 0.000 3.005 1437 W HA 0.636 nan 4.660 nan 0.000 0.343 1437 W C -2.971 173.480 176.519 -0.112 0.000 1.243 1437 W CA -1.340 55.933 57.345 -0.121 0.000 1.186 1437 W CB 1.875 31.238 29.460 -0.162 0.000 1.453 1437 W HN 0.127 7.831 8.180 -0.792 0.000 0.575 1438 D N 0.969 121.439 120.400 0.117 0.000 2.303 1438 D HA 0.282 nan 4.640 nan 0.000 0.236 1438 D C -0.171 176.236 176.300 0.179 0.000 1.068 1438 D CA -0.900 53.125 54.000 0.041 0.000 0.830 1438 D CB 2.394 43.218 40.800 0.040 0.000 1.109 1438 D HN 0.545 8.932 8.370 0.220 0.115 0.496 1439 A N 5.170 128.074 122.820 0.139 0.000 2.561 1439 A HA -0.066 nan 4.320 nan 0.000 0.234 1439 A C -1.583 176.132 177.584 0.218 0.000 1.055 1439 A CA -1.183 51.029 52.037 0.292 0.000 0.756 1439 A CB -0.773 18.380 19.000 0.255 0.000 0.986 1439 A HN 0.246 8.396 8.150 0.001 0.000 0.505 1440 P HA 0.091 nan 4.420 nan 0.000 0.276 1440 P C -0.863 176.500 177.300 0.105 0.000 1.252 1440 P CA -0.631 62.554 63.100 0.141 0.000 0.802 1440 P CB 0.668 32.445 31.700 0.128 0.000 1.035 1441 A N 1.051 123.914 122.820 0.073 0.000 2.711 1441 A HA -0.016 nan 4.320 nan 0.000 0.242 1441 A C -1.018 176.595 177.584 0.048 0.000 1.607 1441 A CA 0.190 52.260 52.037 0.055 0.000 1.370 1441 A CB -1.414 17.612 19.000 0.043 0.000 0.934 1441 A HN 0.473 8.664 8.150 0.068 0.000 0.628 1442 V N -5.814 114.130 119.914 0.049 0.000 3.206 1442 V HA 0.331 nan 4.120 nan 0.000 0.305 1442 V C -1.045 175.062 176.094 0.021 0.000 1.257 1442 V CA -2.051 60.267 62.300 0.030 0.000 1.057 1442 V CB 2.801 34.636 31.823 0.019 0.000 1.075 1442 V HN -0.445 7.688 8.190 0.065 0.096 0.443 1443 T N 3.333 117.889 114.554 0.002 0.000 2.737 1443 T HA 0.155 nan 4.350 nan 0.000 0.296 1443 T C -0.535 174.131 174.700 -0.056 0.000 0.922 1443 T CA 0.135 62.229 62.100 -0.010 0.000 1.079 1443 T CB -0.463 68.402 68.868 -0.005 0.000 0.892 1443 T HN -0.093 8.147 8.240 0.001 0.000 0.514 1444 V N 5.828 125.686 119.914 -0.092 0.000 2.394 1444 V HA 0.130 nan 4.120 nan 0.000 0.282 1444 V C -0.382 175.594 176.094 -0.196 0.000 1.031 1444 V CA -0.911 61.247 62.300 -0.238 0.000 0.881 1444 V CB 0.373 31.901 31.823 -0.491 0.000 0.982 1444 V HN 0.336 8.499 8.190 -0.046 0.000 0.451 1445 R N 5.622 126.001 120.500 -0.202 0.000 2.075 1445 R HA -0.059 nan 4.340 nan 0.000 0.232 1445 R C -0.049 176.287 176.300 0.060 0.000 1.126 1445 R CA 2.684 58.755 56.100 -0.048 0.000 0.963 1445 R CB 1.302 31.602 30.300 0.000 0.000 0.858 1445 R HN 0.658 8.678 8.270 -0.263 0.093 0.435 1446 Y N -8.433 111.767 120.300 -0.167 0.000 2.702 1446 Y HA 0.401 nan 4.550 nan 0.000 0.336 1446 Y C -2.639 173.122 175.900 -0.232 0.000 1.203 1446 Y CA -1.779 56.254 58.100 -0.112 0.000 1.072 1446 Y CB 0.867 39.329 38.460 0.003 0.000 1.327 1446 Y HN -0.568 7.367 8.280 -0.575 0.000 0.456 1447 Y N -1.954 118.469 120.300 0.205 0.000 2.420 1447 Y HA 0.501 nan 4.550 nan 0.000 0.334 1447 Y C -1.274 174.679 175.900 0.088 0.000 1.094 1447 Y CA -1.510 56.621 58.100 0.052 0.000 1.126 1447 Y CB 3.404 41.886 38.460 0.036 0.000 1.217 1447 Y HN 0.755 9.221 8.280 0.496 0.112 0.462 1448 R N 2.374 122.969 120.500 0.158 0.000 2.343 1448 R HA 0.648 nan 4.340 nan 0.000 0.320 1448 R C -1.503 174.799 176.300 0.003 0.000 0.956 1448 R CA -1.215 54.942 56.100 0.094 0.000 0.836 1448 R CB 1.913 32.265 30.300 0.086 0.000 1.151 1448 R HN 0.620 8.978 8.270 0.147 0.000 0.450 1449 I N 8.817 129.220 120.570 -0.279 0.000 2.412 1449 I HA 0.530 nan 4.170 nan 0.000 0.296 1449 I C -1.914 174.098 176.117 -0.175 0.000 0.987 1449 I CA -1.130 59.947 61.300 -0.371 0.000 1.180 1449 I CB 1.987 39.508 38.000 -0.799 0.000 1.340 1449 I HN 0.588 8.546 8.210 -0.420 0.000 0.455 1450 T N 3.765 118.332 114.554 0.023 0.000 2.900 1450 T HA 0.912 nan 4.350 nan 0.000 0.295 1450 T C -1.947 172.878 174.700 0.208 0.000 1.044 1450 T CA -2.467 59.693 62.100 0.100 0.000 0.995 1450 T CB 2.685 71.622 68.868 0.114 0.000 1.072 1450 T HN 0.620 8.756 8.240 0.001 0.105 0.473 1451 Y N -1.578 118.777 120.300 0.091 0.000 2.513 1451 Y HA 0.806 nan 4.550 nan 0.000 0.340 1451 Y C -2.628 173.367 175.900 0.159 0.000 1.055 1451 Y CA -2.259 55.905 58.100 0.107 0.000 1.020 1451 Y CB 2.609 41.100 38.460 0.053 0.000 1.301 1451 Y HN 0.919 9.094 8.280 -0.175 0.000 0.453 1452 G N -0.051 108.967 108.800 0.363 0.000 2.667 1452 G HA2 0.145 nan 3.960 nan 0.000 0.294 1452 G HA3 0.145 nan 3.960 nan 0.000 0.294 1452 G C -2.893 172.224 174.900 0.361 0.000 1.467 1452 G CA -0.121 45.164 45.100 0.308 0.000 0.852 1452 G HN -0.311 8.232 8.290 0.422 0.000 0.521 1453 E N 1.578 121.909 120.200 0.219 0.000 2.558 1453 E HA -0.212 nan 4.350 nan 0.000 0.255 1453 E C 0.350 176.959 176.600 0.015 0.000 0.968 1453 E CA 0.305 56.684 56.400 -0.035 0.000 0.939 1453 E CB 0.536 30.172 29.700 -0.107 0.000 0.921 1453 E HN 0.180 8.673 8.360 0.222 0.000 0.477 1454 T N 9.331 123.883 114.554 -0.003 0.000 2.871 1454 T HA -0.159 nan 4.350 nan 0.000 0.296 1454 T C 0.771 175.470 174.700 -0.001 0.000 0.998 1454 T CA 2.654 64.765 62.100 0.018 0.000 1.162 1454 T CB -0.443 68.432 68.868 0.011 0.000 0.947 1454 T HN 0.662 8.735 8.240 -0.048 0.138 0.536 1455 G N 6.729 115.536 108.800 0.012 0.000 2.168 1455 G HA2 -0.310 nan 3.960 nan 0.000 0.257 1455 G HA3 -0.310 nan 3.960 nan 0.000 0.257 1455 G C 0.400 175.302 174.900 0.002 0.000 0.997 1455 G CA 0.409 45.512 45.100 0.005 0.000 0.708 1455 G HN 0.467 8.771 8.290 0.024 0.000 0.520 1456 G N 0.067 108.871 108.800 0.007 0.000 2.408 1456 G HA2 -0.316 nan 3.960 nan 0.000 0.217 1456 G HA3 -0.316 nan 3.960 nan 0.000 0.217 1456 G C 0.545 175.452 174.900 0.011 0.000 1.150 1456 G CA -0.104 45.000 45.100 0.006 0.000 0.776 1456 G HN 0.196 8.357 8.290 0.015 0.138 0.542 1457 N N -2.836 115.874 118.700 0.017 0.000 2.951 1457 N HA -0.360 nan 4.740 nan 0.000 0.218 1457 N C -1.027 174.492 175.510 0.014 0.000 0.858 1457 N CA 0.862 53.921 53.050 0.015 0.000 1.050 1457 N CB -0.744 37.749 38.487 0.010 0.000 1.012 1457 N HN 0.464 8.857 8.380 0.022 0.000 0.611 1458 S N 1.128 116.837 115.700 0.016 0.000 2.634 1458 S HA 0.355 nan 4.470 nan 0.000 0.261 1458 S C -2.107 172.500 174.600 0.011 0.000 1.271 1458 S CA -0.608 57.600 58.200 0.013 0.000 0.985 1458 S CB 0.435 63.645 63.200 0.017 0.000 0.968 1458 S HN -0.197 8.013 8.310 0.018 0.111 0.568 1459 P HA -0.066 nan 4.420 nan 0.000 0.264 1459 P C -1.587 175.700 177.300 -0.023 0.000 1.193 1459 P CA 0.249 63.344 63.100 -0.008 0.000 0.763 1459 P CB 0.512 32.205 31.700 -0.011 0.000 0.810 1460 V N -3.294 116.601 119.914 -0.032 0.000 2.953 1460 V HA 0.252 nan 4.120 nan 0.000 0.304 1460 V C -0.641 175.360 176.094 -0.155 0.000 1.073 1460 V CA -1.704 60.551 62.300 -0.075 0.000 1.064 1460 V CB 0.235 32.040 31.823 -0.029 0.000 1.047 1460 V HN -0.221 7.959 8.190 -0.017 0.000 0.478 1461 Q N 2.270 121.852 119.800 -0.364 0.000 2.226 1461 Q HA 0.452 nan 4.340 nan 0.000 0.256 1461 Q C -1.611 174.207 176.000 -0.303 0.000 0.962 1461 Q CA -0.766 54.795 55.803 -0.402 0.000 0.887 1461 Q CB 3.133 31.454 28.738 -0.696 0.000 1.282 1461 Q HN 0.412 8.372 8.270 -0.517 0.000 0.449 1462 E N -0.837 119.347 120.200 -0.026 0.000 2.430 1462 E HA 0.825 nan 4.350 nan 0.000 0.279 1462 E C -1.481 175.305 176.600 0.311 0.000 1.003 1462 E CA -1.342 55.131 56.400 0.121 0.000 0.801 1462 E CB 3.508 33.218 29.700 0.017 0.000 1.313 1462 E HN 0.056 8.417 8.360 0.002 0.000 0.459 1463 F N -5.193 114.826 119.950 0.115 0.000 2.817 1463 F HA 0.444 nan 4.527 nan 0.000 0.317 1463 F C -2.509 173.370 175.800 0.133 0.000 1.168 1463 F CA -1.042 57.022 58.000 0.106 0.000 0.911 1463 F CB 1.512 40.584 39.000 0.121 0.000 1.337 1463 F HN 0.001 8.180 8.300 -0.203 0.000 0.464 1464 T N -4.235 110.445 114.554 0.210 0.000 2.938 1464 T HA 0.743 nan 4.350 nan 0.000 0.285 1464 T C -1.150 173.723 174.700 0.289 0.000 1.028 1464 T CA -2.268 59.927 62.100 0.158 0.000 1.005 1464 T CB 2.353 71.279 68.868 0.095 0.000 1.157 1464 T HN -0.244 8.201 8.240 0.340 0.000 0.550 1465 V N -0.589 119.526 119.914 0.334 0.000 2.888 1465 V HA 0.533 nan 4.120 nan 0.000 0.309 1465 V C -2.233 174.114 176.094 0.421 0.000 1.114 1465 V CA -2.773 59.767 62.300 0.400 0.000 0.940 1465 V CB 3.250 35.379 31.823 0.510 0.000 1.021 1465 V HN 0.428 8.845 8.190 0.378 0.000 0.426 1466 P HA 0.101 nan 4.420 nan 0.000 0.269 1466 P C 0.855 178.363 177.300 0.347 0.000 1.215 1466 P CA 0.016 63.282 63.100 0.276 0.000 0.780 1466 P CB 0.579 32.389 31.700 0.182 0.000 0.898 1467 G N 0.609 109.547 108.800 0.230 0.000 2.462 1467 G HA2 -0.357 nan 3.960 nan 0.000 0.220 1467 G HA3 -0.357 nan 3.960 nan 0.000 0.220 1467 G C 0.705 175.770 174.900 0.276 0.000 1.121 1467 G CA 2.150 47.340 45.100 0.151 0.000 0.758 1467 G HN 0.050 8.456 8.290 0.193 0.000 0.559 1468 S N -2.072 113.747 115.700 0.198 0.000 2.515 1468 S HA -0.098 nan 4.470 nan 0.000 0.231 1468 S C 0.149 174.826 174.600 0.129 0.000 0.987 1468 S CA 0.527 58.813 58.200 0.143 0.000 0.936 1468 S CB -0.111 63.144 63.200 0.091 0.000 0.766 1468 S HN 0.097 8.481 8.310 0.172 0.029 0.528 1469 K N 0.643 121.151 120.400 0.179 0.000 2.324 1469 K HA 0.234 nan 4.320 nan 0.000 0.253 1469 K C -1.518 175.014 176.600 -0.114 0.000 0.932 1469 K CA -0.636 55.673 56.287 0.036 0.000 0.799 1469 K CB 2.034 34.553 32.500 0.032 0.000 1.154 1469 K HN -0.413 7.848 8.250 0.288 0.161 0.425 1470 S N 0.501 115.899 115.700 -0.504 0.000 2.526 1470 S HA 0.181 nan 4.470 nan 0.000 0.245 1470 S C -1.298 172.274 174.600 -1.713 0.000 1.103 1470 S CA -0.331 57.011 58.200 -1.431 0.000 1.095 1470 S CB 0.855 63.344 63.200 -1.184 0.000 0.826 1470 S HN 0.278 8.358 8.310 -0.383 0.000 0.468 1471 T N -4.842 109.128 114.554 -0.974 0.000 2.900 1471 T HA 0.819 nan 4.350 nan 0.000 0.303 1471 T C -2.487 172.171 174.700 -0.071 0.000 1.142 1471 T CA -1.856 59.937 62.100 -0.512 0.000 1.007 1471 T CB 3.882 72.590 68.868 -0.268 0.000 1.156 1471 T HN -0.631 7.181 8.240 -0.598 0.070 0.490 1472 A N -1.177 121.718 122.820 0.125 0.000 2.608 1472 A HA 0.436 nan 4.320 nan 0.000 0.292 1472 A C -2.975 174.701 177.584 0.153 0.000 1.066 1472 A CA -0.216 51.983 52.037 0.269 0.000 0.676 1472 A CB 2.536 21.865 19.000 0.548 0.000 1.277 1472 A HN 0.390 8.586 8.150 0.077 0.000 0.413 1473 T N 0.597 115.205 114.554 0.089 0.000 2.824 1473 T HA 0.596 nan 4.350 nan 0.000 0.282 1473 T C -0.761 173.865 174.700 -0.123 0.000 0.993 1473 T CA -0.452 61.628 62.100 -0.032 0.000 0.967 1473 T CB 1.065 69.891 68.868 -0.070 0.000 0.960 1473 T HN -0.074 8.227 8.240 0.103 0.000 0.441 1474 I N 7.990 128.452 120.570 -0.181 0.000 2.388 1474 I HA 0.228 nan 4.170 nan 0.000 0.281 1474 I C -0.696 175.202 176.117 -0.365 0.000 1.046 1474 I CA -1.014 60.066 61.300 -0.367 0.000 1.187 1474 I CB 0.499 38.209 38.000 -0.483 0.000 1.351 1474 I HN 0.830 8.948 8.210 -0.155 0.000 0.472 1475 S N 6.356 121.870 115.700 -0.310 0.000 2.655 1475 S HA 0.027 nan 4.470 nan 0.000 0.265 1475 S C 0.897 175.394 174.600 -0.172 0.000 1.240 1475 S CA 0.063 58.140 58.200 -0.204 0.000 0.986 1475 S CB 0.786 63.895 63.200 -0.152 0.000 0.985 1475 S HN 0.348 8.454 8.310 -0.339 0.000 0.562 1476 G N -0.944 107.800 108.800 -0.093 0.000 2.187 1476 G HA2 -0.319 nan 3.960 nan 0.000 0.261 1476 G HA3 -0.319 nan 3.960 nan 0.000 0.261 1476 G C -0.049 174.848 174.900 -0.005 0.000 1.000 1476 G CA 0.718 45.799 45.100 -0.032 0.000 0.718 1476 G HN 0.364 8.605 8.290 -0.082 0.000 0.519 1477 L N -2.236 118.945 121.223 -0.071 0.000 2.394 1477 L HA -0.128 nan 4.340 nan 0.000 0.229 1477 L C -0.013 176.976 176.870 0.198 0.000 1.225 1477 L CA 0.710 55.540 54.840 -0.017 0.000 0.829 1477 L CB 0.508 42.441 42.059 -0.209 0.000 1.195 1477 L HN -0.019 8.008 8.230 -0.133 0.123 0.548 1478 K N -1.414 119.242 120.400 0.426 0.000 2.443 1478 K HA 0.461 nan 4.320 nan 0.000 0.252 1478 K C -2.357 174.378 176.600 0.225 0.000 0.933 1478 K CA -3.792 52.649 56.287 0.258 0.000 0.792 1478 K CB 1.261 33.882 32.500 0.201 0.000 1.185 1478 K HN -0.434 8.324 8.250 0.846 0.000 0.425 1479 P HA -0.102 nan 4.420 nan 0.000 0.272 1479 P C -0.025 177.302 177.300 0.045 0.000 1.230 1479 P CA -0.218 62.942 63.100 0.100 0.000 0.788 1479 P CB 0.255 31.999 31.700 0.074 0.000 0.949 1480 G N -0.934 107.877 108.800 0.019 0.000 2.179 1480 G HA2 -0.535 nan 3.960 nan 0.000 0.257 1480 G HA3 -0.535 nan 3.960 nan 0.000 0.257 1480 G C -1.106 173.757 174.900 -0.063 0.000 1.010 1480 G CA 0.543 45.631 45.100 -0.020 0.000 0.736 1480 G HN -0.004 8.195 8.290 0.031 0.110 0.513 1481 V N -1.026 118.828 119.914 -0.100 0.000 2.419 1481 V HA 0.043 nan 4.120 nan 0.000 0.287 1481 V C -1.177 174.701 176.094 -0.361 0.000 1.017 1481 V CA -1.308 60.828 62.300 -0.274 0.000 0.844 1481 V CB 1.593 33.164 31.823 -0.420 0.000 1.011 1481 V HN -0.599 7.544 8.190 -0.042 0.022 0.429 1482 D N 6.220 126.473 120.400 -0.245 0.000 2.417 1482 D HA -0.069 nan 4.640 nan 0.000 0.250 1482 D C -1.145 175.048 176.300 -0.179 0.000 1.166 1482 D CA 1.341 55.258 54.000 -0.138 0.000 0.881 1482 D CB 0.767 41.515 40.800 -0.085 0.000 1.164 1482 D HN 0.138 8.390 8.370 -0.196 0.000 0.467 1483 Y N 5.313 125.681 120.300 0.114 0.000 2.341 1483 Y HA 0.406 nan 4.550 nan 0.000 0.338 1483 Y C -0.515 175.469 175.900 0.142 0.000 0.965 1483 Y CA -1.076 57.113 58.100 0.147 0.000 1.108 1483 Y CB 2.997 41.566 38.460 0.181 0.000 1.180 1483 Y HN -0.316 8.112 8.280 0.247 0.000 0.458 1484 T N 7.292 122.023 114.554 0.295 0.000 2.728 1484 T HA 0.418 nan 4.350 nan 0.000 0.296 1484 T C -1.096 173.725 174.700 0.201 0.000 0.940 1484 T CA 0.655 62.870 62.100 0.192 0.000 1.013 1484 T CB -0.149 68.793 68.868 0.123 0.000 0.912 1484 T HN 0.972 9.389 8.240 0.296 0.000 0.484 1485 I N 8.770 129.429 120.570 0.148 0.000 2.354 1485 I HA 0.532 nan 4.170 nan 0.000 0.292 1485 I C -1.292 174.823 176.117 -0.003 0.000 0.989 1485 I CA -0.930 60.431 61.300 0.103 0.000 1.188 1485 I CB 1.444 39.489 38.000 0.076 0.000 1.342 1485 I HN 0.605 8.894 8.210 0.132 0.000 0.457 1486 T N 8.531 123.054 114.554 -0.052 0.000 2.887 1486 T HA 0.725 nan 4.350 nan 0.000 0.288 1486 T C -1.578 172.925 174.700 -0.327 0.000 1.021 1486 T CA -1.211 60.761 62.100 -0.214 0.000 1.000 1486 T CB 2.373 71.113 68.868 -0.213 0.000 1.034 1486 T HN 0.688 8.934 8.240 0.011 0.000 0.467 1487 V N 3.259 122.858 119.914 -0.525 0.000 2.686 1487 V HA 0.718 nan 4.120 nan 0.000 0.306 1487 V C -1.885 173.878 176.094 -0.552 0.000 1.065 1487 V CA -0.730 61.237 62.300 -0.554 0.000 0.894 1487 V CB 3.125 34.424 31.823 -0.874 0.000 1.004 1487 V HN 0.710 8.570 8.190 -0.550 0.000 0.424 1488 Y N 3.387 123.580 120.300 -0.178 0.000 2.499 1488 Y HA 0.465 nan 4.550 nan 0.000 0.347 1488 Y C -1.618 174.240 175.900 -0.069 0.000 0.987 1488 Y CA -2.692 55.345 58.100 -0.105 0.000 1.044 1488 Y CB 4.115 42.512 38.460 -0.105 0.000 1.245 1488 Y HN 0.793 9.104 8.280 0.052 0.000 0.461 1489 A N 2.122 124.981 122.820 0.065 0.000 2.366 1489 A HA 0.567 nan 4.320 nan 0.000 0.322 1489 A C -1.444 175.989 177.584 -0.251 0.000 1.397 1489 A CA -1.269 50.679 52.037 -0.149 0.000 0.984 1489 A CB 0.225 19.189 19.000 -0.060 0.000 1.149 1489 A HN 0.683 8.880 8.150 0.079 0.000 0.540 1490 V N 6.248 125.883 119.914 -0.465 0.000 2.408 1490 V HA 0.211 nan 4.120 nan 0.000 0.267 1490 V C 0.332 176.145 176.094 -0.469 0.000 1.047 1490 V CA 0.429 62.401 62.300 -0.547 0.000 0.937 1490 V CB -0.696 30.508 31.823 -1.033 0.000 0.999 1490 V HN 0.457 8.297 8.190 -0.584 0.000 0.472 1491 T N 4.088 118.481 114.554 -0.268 0.000 2.990 1491 T HA 0.279 nan 4.350 nan 0.000 0.249 1491 T C 0.759 175.389 174.700 -0.116 0.000 1.039 1491 T CA 0.568 62.564 62.100 -0.173 0.000 1.036 1491 T CB 1.149 69.951 68.868 -0.111 0.000 0.994 1491 T HN 0.614 8.724 8.240 -0.217 0.000 0.489 1492 G N 1.512 110.246 108.800 -0.109 0.000 2.525 1492 G HA2 0.217 nan 3.960 nan 0.000 0.287 1492 G HA3 0.217 nan 3.960 nan 0.000 0.287 1492 G C -2.085 172.799 174.900 -0.025 0.000 1.350 1492 G CA -0.972 44.094 45.100 -0.057 0.000 1.039 1492 G HN -0.017 8.089 8.290 -0.140 0.100 0.513 1493 R N -2.996 117.505 120.500 0.002 0.000 2.962 1493 R HA 0.339 nan 4.340 nan 0.000 0.256 1493 R C -0.395 175.921 176.300 0.027 0.000 1.199 1493 R CA -1.209 54.911 56.100 0.034 0.000 1.012 1493 R CB 1.778 32.098 30.300 0.032 0.000 1.289 1493 R HN 0.212 8.479 8.270 -0.006 0.000 0.462 1494 G N -0.421 108.397 108.800 0.031 0.000 2.632 1494 G HA2 -0.291 nan 3.960 nan 0.000 0.224 1494 G HA3 -0.291 nan 3.960 nan 0.000 0.224 1494 G C -0.858 174.056 174.900 0.023 0.000 1.341 1494 G CA -0.318 44.793 45.100 0.020 0.000 0.880 1494 G HN -0.014 8.299 8.290 0.038 0.000 0.566 1495 D N 0.503 120.911 120.400 0.013 0.000 2.277 1495 D HA -0.047 nan 4.640 nan 0.000 0.208 1495 D C 0.357 176.662 176.300 0.009 0.000 0.962 1495 D CA 1.798 55.804 54.000 0.010 0.000 0.865 1495 D CB 0.330 41.133 40.800 0.003 0.000 0.939 1495 D HN 0.162 8.537 8.370 0.008 0.000 0.510 1496 S N -0.387 115.316 115.700 0.005 0.000 2.130 1496 S HA 0.298 nan 4.470 nan 0.000 0.165 1496 S C -2.450 172.146 174.600 -0.008 0.000 1.677 1496 S CA -1.858 56.339 58.200 -0.004 0.000 1.227 1496 S CB 1.000 64.194 63.200 -0.010 0.000 1.115 1496 S HN -0.350 7.934 8.310 0.005 0.029 0.452 1497 P HA -0.039 nan 4.420 nan 0.000 0.266 1497 P C -1.524 175.744 177.300 -0.053 0.000 1.195 1497 P CA -0.077 63.013 63.100 -0.017 0.000 0.768 1497 P CB 0.828 32.533 31.700 0.008 0.000 0.838 1498 A N 4.165 126.949 122.820 -0.060 0.000 2.409 1498 A HA 0.075 nan 4.320 nan 0.000 0.267 1498 A C -0.677 176.849 177.584 -0.096 0.000 1.127 1498 A CA 0.357 52.357 52.037 -0.062 0.000 0.795 1498 A CB 0.501 19.473 19.000 -0.047 0.000 1.061 1498 A HN 0.229 8.384 8.150 -0.052 -0.036 0.502 1499 S N 1.513 117.164 115.700 -0.081 0.000 2.536 1499 S HA 0.493 nan 4.470 nan 0.000 0.298 1499 S C -0.811 173.780 174.600 -0.014 0.000 1.083 1499 S CA -2.314 55.836 58.200 -0.084 0.000 0.995 1499 S CB 2.303 65.434 63.200 -0.116 0.000 1.058 1499 S HN -0.055 8.219 8.310 -0.060 0.000 0.488 1500 S N 3.935 119.644 115.700 0.014 0.000 2.617 1500 S HA 0.097 nan 4.470 nan 0.000 0.259 1500 S C -1.029 173.636 174.600 0.108 0.000 1.301 1500 S CA -0.149 58.078 58.200 0.045 0.000 0.984 1500 S CB 1.010 64.231 63.200 0.035 0.000 0.954 1500 S HN 0.291 8.489 8.310 -0.009 0.107 0.572 1501 K N -0.117 120.329 120.400 0.076 0.000 2.168 1501 K HA 0.263 nan 4.320 nan 0.000 0.258 1501 K C -1.474 175.143 176.600 0.027 0.000 1.010 1501 K CA -1.914 54.423 56.287 0.084 0.000 0.929 1501 K CB -0.479 32.046 32.500 0.041 0.000 0.998 1501 K HN 0.269 8.549 8.250 0.049 0.000 0.479 1502 P HA 0.278 nan 4.420 nan 0.000 0.276 1502 P C -1.617 175.519 177.300 -0.274 0.000 1.244 1502 P CA -0.597 62.248 63.100 -0.425 0.000 0.801 1502 P CB 0.784 32.139 31.700 -0.576 0.000 1.006 1503 I N 0.478 120.844 120.570 -0.339 0.000 2.569 1503 I HA 0.409 nan 4.170 nan 0.000 0.290 1503 I C -2.088 173.894 176.117 -0.225 0.000 1.088 1503 I CA -1.241 59.937 61.300 -0.204 0.000 1.047 1503 I CB 2.336 40.248 38.000 -0.147 0.000 1.237 1503 I HN -0.146 7.763 8.210 -0.502 0.000 0.421 1504 S N 7.392 123.011 115.700 -0.134 0.000 2.685 1504 S HA 0.876 nan 4.470 nan 0.000 0.282 1504 S C -1.736 172.847 174.600 -0.028 0.000 1.159 1504 S CA -1.531 56.611 58.200 -0.096 0.000 0.833 1504 S CB 2.782 65.930 63.200 -0.086 0.000 1.151 1504 S HN -0.015 8.238 8.310 -0.097 0.000 0.485 1505 I N -6.615 113.961 120.570 0.011 0.000 3.279 1505 I HA 0.524 nan 4.170 nan 0.000 0.315 1505 I C -2.404 173.766 176.117 0.089 0.000 1.225 1505 I CA -1.409 59.923 61.300 0.052 0.000 0.947 1505 I CB 4.339 42.385 38.000 0.076 0.000 1.293 1505 I HN 0.350 8.569 8.210 0.014 0.000 0.468 1506 N N -0.796 117.967 118.700 0.106 0.000 2.314 1506 N HA 0.529 nan 4.740 nan 0.000 0.294 1506 N C -1.849 173.765 175.510 0.175 0.000 1.029 1506 N CA -0.701 52.424 53.050 0.124 0.000 0.845 1506 N CB 1.614 40.140 38.487 0.066 0.000 1.321 1506 N HN 0.033 8.469 8.380 0.093 0.000 0.481 1507 Y N 4.698 125.054 120.300 0.093 0.000 2.320 1507 Y HA 0.107 nan 4.550 nan 0.000 0.334 1507 Y C -1.250 174.693 175.900 0.073 0.000 1.055 1507 Y CA -1.460 56.692 58.100 0.087 0.000 1.143 1507 Y CB 3.022 41.547 38.460 0.108 0.000 1.193 1507 Y HN 0.705 9.057 8.280 0.300 0.108 0.477 1508 R N 5.103 124.971 120.500 -1.054 0.000 2.351 1508 R HA 0.082 nan 4.340 nan 0.000 0.321 1508 R C -0.811 174.949 176.300 -0.899 0.000 1.182 1508 R CA -0.124 55.510 56.100 -0.776 0.000 1.011 1508 R CB -0.895 29.094 30.300 -0.518 0.000 1.048 1508 R HN 0.429 8.019 8.270 -1.133 0.000 0.490 1509 T N 0.000 114.323 114.554 -0.385 0.000 3.816 1509 T HA 0.000 nan 4.350 nan 0.000 0.228 1509 T CA 0.000 62.041 62.100 -0.099 0.000 1.349 1509 T CB 0.000 68.987 68.868 0.198 0.000 0.612 1509 T HN 0.000 8.087 8.240 -0.255 0.000 0.658