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 3opu_1_C DATA FIRST_RESID 1151 DATA SEQUENCE NYIKPTKVNK NENGVVIDDK TVLAGSTNYY ELTWDLDQYK NDRSSADTIQ DATA SEQUENCE KGFYYVDDYP EEALELRQDL VKITDANGNE VTGVSVDNYT SLEAAPQEIR DATA SEQUENCE DVLSKAGIRP KGAFQIFRAD NPREFYDTYV KTGIDLKIVS PMVVKKQMGQ DATA SEQUENCE TGGSYENQAY QIDFGNGYAS NIVINNVPKI NPKKDVTLTL DPADTNNVDG DATA SEQUENCE QTIPLNTVFN YRLIGGIIPA NHSEELFEYN FYDDYDQTGD HYTGQYKVFA DATA SEQUENCE KVDIILKNGV IIKSGTELTQ YTTAEVDTTK GAITIKFKEA FLRSVSIDSA DATA SEQUENCE FQAESYIQMK RIAVGTFENT YINTVNGVTY SSNTVKT 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 1151 N HA 0.000 nan 4.740 nan 0.000 0.220 1151 N C 0.000 175.539 175.510 0.048 0.000 1.280 1151 N CA 0.000 53.047 53.050 -0.005 0.000 0.885 1151 N CB 0.000 38.504 38.487 0.028 0.000 1.341 1152 Y N 0.457 120.740 120.300 -0.029 0.000 2.811 1152 Y HA 0.114 4.664 4.550 0.000 0.000 0.334 1152 Y C 0.834 176.687 175.900 -0.079 0.000 1.247 1152 Y CA -0.325 57.755 58.100 -0.034 0.000 1.526 1152 Y CB 0.243 38.699 38.460 -0.006 0.000 1.284 1152 Y HN 0.280 nan 8.280 nan 0.000 0.586 1153 I N 6.815 127.463 120.570 0.131 0.000 2.578 1153 I HA -0.032 4.139 4.170 0.000 0.000 0.286 1153 I C 0.029 176.048 176.117 -0.162 0.000 1.126 1153 I CA 0.827 62.032 61.300 -0.159 0.000 1.380 1153 I CB -0.036 37.653 38.000 -0.517 0.000 1.408 1153 I HN 0.421 nan 8.210 nan 0.000 0.532 1154 K N 9.767 130.111 120.400 -0.095 0.000 2.731 1154 K HA 0.363 4.683 4.320 0.000 0.000 0.257 1154 K C -2.733 173.870 176.600 0.005 0.000 1.032 1154 K CA -1.466 54.781 56.287 -0.066 0.000 0.983 1154 K CB 1.926 34.368 32.500 -0.095 0.000 1.248 1154 K HN 0.172 nan 8.250 nan 0.000 0.484 1155 P HA 0.038 nan 4.420 nan 0.000 0.271 1155 P C -0.622 176.707 177.300 0.048 0.000 1.216 1155 P CA 0.051 63.213 63.100 0.104 0.000 0.776 1155 P CB 1.104 32.841 31.700 0.061 0.000 0.881 1156 T N -0.607 113.993 114.554 0.076 0.000 2.907 1156 T HA 0.597 4.948 4.350 0.000 0.000 0.292 1156 T C -0.794 173.938 174.700 0.054 0.000 1.043 1156 T CA -0.943 61.179 62.100 0.037 0.000 1.003 1156 T CB 2.183 71.069 68.868 0.029 0.000 1.084 1156 T HN 0.483 nan 8.240 nan 0.000 0.483 1157 K N 1.732 122.147 120.400 0.025 0.000 2.541 1157 K HA 0.672 4.992 4.320 0.000 0.000 0.250 1157 K C -1.875 174.757 176.600 0.054 0.000 0.950 1157 K CA -0.868 55.440 56.287 0.035 0.000 0.805 1157 K CB 2.336 34.825 32.500 -0.018 0.000 1.166 1157 K HN 0.581 nan 8.250 nan 0.000 0.430 1158 V N 3.291 123.264 119.914 0.100 0.000 2.680 1158 V HA 0.469 4.589 4.120 0.000 0.000 0.309 1158 V C -1.358 174.867 176.094 0.218 0.000 1.052 1158 V CA -0.818 61.555 62.300 0.122 0.000 0.908 1158 V CB 1.906 33.778 31.823 0.081 0.000 1.001 1158 V HN 0.933 nan 8.190 nan 0.000 0.431 1159 N N 4.829 123.663 118.700 0.224 0.000 2.419 1159 N HA 0.469 5.209 4.740 0.000 0.000 0.277 1159 N C -0.949 174.632 175.510 0.118 0.000 1.006 1159 N CA -0.187 53.001 53.050 0.229 0.000 0.923 1159 N CB 1.190 39.817 38.487 0.233 0.000 1.140 1159 N HN 0.717 nan 8.380 nan 0.000 0.488 1160 K N 1.559 122.024 120.400 0.108 0.000 2.371 1160 K HA 0.319 4.639 4.320 0.000 0.000 0.251 1160 K C -0.048 176.637 176.600 0.142 0.000 0.934 1160 K CA -0.950 55.395 56.287 0.096 0.000 0.798 1160 K CB 1.227 33.775 32.500 0.080 0.000 1.204 1160 K HN 0.708 nan 8.250 nan 0.000 0.427 1161 N N 0.497 119.255 118.700 0.096 0.000 2.290 1161 N HA -0.094 4.646 4.740 0.000 0.000 0.269 1161 N C 0.769 176.275 175.510 -0.008 0.000 1.295 1161 N CA 0.094 53.224 53.050 0.134 0.000 0.932 1161 N CB 0.272 38.808 38.487 0.081 0.000 1.128 1161 N HN 0.717 nan 8.380 nan 0.000 0.532 1162 E N -0.987 119.171 120.200 -0.069 0.000 2.204 1162 E HA -0.132 4.218 4.350 0.000 0.000 0.194 1162 E C 0.215 176.627 176.600 -0.312 0.000 0.989 1162 E CA 0.892 57.038 56.400 -0.423 0.000 0.824 1162 E CB -0.245 29.378 29.700 -0.128 0.000 0.756 1162 E HN 0.665 nan 8.360 nan 0.000 0.477 1163 N N -0.694 117.916 118.700 -0.149 0.000 2.313 1163 N HA 0.120 4.860 4.740 0.000 0.000 0.207 1163 N C 0.466 175.919 175.510 -0.095 0.000 1.141 1163 N CA 0.359 53.343 53.050 -0.110 0.000 0.830 1163 N CB 0.987 39.437 38.487 -0.062 0.000 1.008 1163 N HN 0.233 nan 8.380 nan 0.000 0.481 1164 G N 0.188 108.922 108.800 -0.111 0.000 2.153 1164 G HA2 -0.278 3.682 3.960 0.000 0.000 0.252 1164 G HA3 -0.278 3.682 3.960 0.000 0.000 0.252 1164 G C 0.040 174.923 174.900 -0.029 0.000 0.994 1164 G CA 0.016 45.078 45.100 -0.065 0.000 0.698 1164 G HN 0.192 nan 8.290 nan 0.000 0.521 1165 V N 0.996 120.896 119.914 -0.023 0.000 2.555 1165 V HA 0.346 4.466 4.120 0.000 0.000 0.286 1165 V C 1.356 177.454 176.094 0.008 0.000 1.044 1165 V CA -0.565 61.728 62.300 -0.010 0.000 1.026 1165 V CB 1.628 33.442 31.823 -0.015 0.000 0.981 1165 V HN 0.290 nan 8.190 nan 0.000 0.480 1166 V N 6.922 126.843 119.914 0.011 0.000 2.540 1166 V HA 0.037 4.157 4.120 0.000 0.000 0.297 1166 V C 1.025 177.133 176.094 0.024 0.000 1.024 1166 V CA 0.643 62.958 62.300 0.025 0.000 1.105 1166 V CB 0.429 32.266 31.823 0.022 0.000 0.938 1166 V HN 0.884 nan 8.190 nan 0.000 0.482 1167 I N -0.762 119.831 120.570 0.039 0.000 4.050 1167 I HA 0.410 4.580 4.170 0.000 0.000 0.327 1167 I C -0.061 176.076 176.117 0.033 0.000 1.473 1167 I CA -0.560 60.759 61.300 0.032 0.000 1.124 1167 I CB 0.353 38.377 38.000 0.039 0.000 1.129 1167 I HN 0.360 nan 8.210 nan 0.000 0.428 1168 D N 3.539 123.964 120.400 0.042 0.000 2.648 1168 D HA -0.078 4.562 4.640 0.000 0.000 0.229 1168 D C 0.615 176.920 176.300 0.008 0.000 1.119 1168 D CA 1.285 55.306 54.000 0.036 0.000 0.850 1168 D CB 0.190 41.011 40.800 0.035 0.000 1.169 1168 D HN 0.364 nan 8.370 nan 0.000 0.489 1169 D N -0.092 120.302 120.400 -0.010 0.000 3.028 1169 D HA -0.183 4.457 4.640 0.000 0.000 0.207 1169 D C -0.120 176.166 176.300 -0.023 0.000 1.100 1169 D CA 0.900 54.885 54.000 -0.025 0.000 0.995 1169 D CB -0.595 40.196 40.800 -0.015 0.000 1.108 1169 D HN 0.486 nan 8.370 nan 0.000 0.421 1170 K N 0.561 120.953 120.400 -0.013 0.000 2.118 1170 K HA 0.320 4.640 4.320 0.000 0.000 0.264 1170 K C 0.448 177.053 176.600 0.008 0.000 1.000 1170 K CA -0.175 56.112 56.287 0.001 0.000 0.929 1170 K CB 1.187 33.694 32.500 0.011 0.000 1.021 1170 K HN -0.099 nan 8.250 nan 0.000 0.463 1171 T N 1.102 115.678 114.554 0.037 0.000 2.870 1171 T HA 0.179 4.529 4.350 0.000 0.000 0.300 1171 T C -0.630 174.127 174.700 0.096 0.000 0.989 1171 T CA -0.515 61.621 62.100 0.060 0.000 1.139 1171 T CB 0.137 69.049 68.868 0.073 0.000 0.920 1171 T HN 0.172 nan 8.240 nan 0.000 0.537 1172 V N 7.506 127.485 119.914 0.107 0.000 2.407 1172 V HA 0.372 4.492 4.120 0.000 0.000 0.291 1172 V C 0.294 176.459 176.094 0.119 0.000 1.018 1172 V CA -0.913 61.465 62.300 0.131 0.000 0.842 1172 V CB 1.542 33.475 31.823 0.184 0.000 0.996 1172 V HN 0.832 nan 8.190 nan 0.000 0.426 1173 L N 4.031 125.297 121.223 0.072 0.000 2.453 1173 L HA 0.365 4.705 4.340 0.000 0.000 0.272 1173 L C 1.209 178.115 176.870 0.059 0.000 1.182 1173 L CA 0.008 54.872 54.840 0.040 0.000 0.858 1173 L CB 0.774 42.819 42.059 -0.023 0.000 1.120 1173 L HN 0.834 nan 8.230 nan 0.000 0.474 1174 A N 2.954 125.825 122.820 0.085 0.000 2.584 1174 A HA 0.318 4.638 4.320 0.000 0.000 0.239 1174 A C 1.300 178.909 177.584 0.042 0.000 1.043 1174 A CA 0.775 52.858 52.037 0.076 0.000 0.756 1174 A CB -0.337 18.745 19.000 0.137 0.000 0.963 1174 A HN 1.185 nan 8.150 nan 0.000 0.511 1175 G N 1.780 110.582 108.800 0.002 0.000 2.217 1175 G HA2 -0.214 3.746 3.960 0.000 0.000 0.246 1175 G HA3 -0.214 3.746 3.960 0.000 0.000 0.246 1175 G C 0.590 175.496 174.900 0.009 0.000 0.990 1175 G CA 0.432 45.529 45.100 -0.004 0.000 0.627 1175 G HN 1.251 nan 8.290 nan 0.000 0.522 1176 S N 0.672 116.380 115.700 0.014 0.000 2.603 1176 S HA 0.588 5.058 4.470 0.000 0.000 0.268 1176 S C 0.480 175.057 174.600 -0.037 0.000 1.317 1176 S CA 0.407 58.623 58.200 0.027 0.000 1.012 1176 S CB 1.344 64.573 63.200 0.050 0.000 0.926 1176 S HN 0.415 nan 8.310 nan 0.000 0.539 1177 T N 3.340 117.858 114.554 -0.060 0.000 2.837 1177 T HA 0.285 4.635 4.350 0.000 0.000 0.285 1177 T C -0.117 174.397 174.700 -0.309 0.000 0.984 1177 T CA -0.696 61.238 62.100 -0.277 0.000 1.049 1177 T CB 0.302 68.865 68.868 -0.509 0.000 0.947 1177 T HN 0.451 nan 8.240 nan 0.000 0.472 1178 N N 2.757 121.203 118.700 -0.423 0.000 2.439 1178 N HA 0.147 4.887 4.740 0.000 0.000 0.249 1178 N C -1.040 174.109 175.510 -0.601 0.000 1.003 1178 N CA -0.210 52.544 53.050 -0.494 0.000 0.942 1178 N CB 0.942 38.965 38.487 -0.773 0.000 1.115 1178 N HN 0.583 nan 8.380 nan 0.000 0.505 1179 Y N 2.258 122.423 120.300 -0.225 0.000 2.667 1179 Y HA 0.137 4.687 4.550 0.000 0.000 0.340 1179 Y C 0.050 175.926 175.900 -0.040 0.000 1.303 1179 Y CA -0.549 57.487 58.100 -0.107 0.000 1.769 1179 Y CB -0.573 37.860 38.460 -0.045 0.000 1.804 1179 Y HN 0.400 nan 8.280 nan 0.000 0.451 1180 Y N 1.246 121.607 120.300 0.101 0.000 2.620 1180 Y HA 0.030 4.581 4.550 0.000 0.000 0.330 1180 Y C 0.703 176.651 175.900 0.079 0.000 1.186 1180 Y CA -0.514 57.641 58.100 0.091 0.000 1.467 1180 Y CB 0.342 38.852 38.460 0.083 0.000 1.262 1180 Y HN 0.400 nan 8.280 nan 0.000 0.550 1181 E N 4.425 124.772 120.200 0.245 0.000 2.185 1181 E HA 0.523 4.873 4.350 0.000 0.000 0.261 1181 E C -1.835 174.809 176.600 0.072 0.000 0.879 1181 E CA -0.610 55.861 56.400 0.119 0.000 0.756 1181 E CB 0.682 30.439 29.700 0.095 0.000 1.152 1181 E HN 0.592 nan 8.360 nan 0.000 0.416 1182 L N 3.174 124.392 121.223 -0.009 0.000 2.341 1182 L HA 0.505 4.845 4.340 0.000 0.000 0.278 1182 L C 0.204 177.006 176.870 -0.114 0.000 1.005 1182 L CA -1.030 53.788 54.840 -0.036 0.000 0.818 1182 L CB 1.752 43.765 42.059 -0.076 0.000 1.259 1182 L HN 0.479 nan 8.230 nan 0.000 0.418 1183 T N -1.507 113.053 114.554 0.009 0.000 2.795 1183 T HA 0.319 4.669 4.350 0.000 0.000 0.282 1183 T C -0.913 173.897 174.700 0.183 0.000 0.980 1183 T CA -0.480 61.641 62.100 0.036 0.000 1.012 1183 T CB 1.242 70.146 68.868 0.061 0.000 0.936 1183 T HN 0.519 nan 8.240 nan 0.000 0.457 1184 W N 4.786 126.051 121.300 -0.059 0.000 2.283 1184 W HA 0.359 5.019 4.660 0.000 0.000 0.317 1184 W C -0.694 175.892 176.519 0.111 0.000 1.042 1184 W CA -1.247 56.186 57.345 0.146 0.000 1.348 1184 W CB 0.549 30.027 29.460 0.030 0.000 1.216 1184 W HN 0.771 nan 8.180 nan 0.000 0.404 1185 D N 5.794 126.496 120.400 0.503 0.000 2.422 1185 D HA 0.103 4.743 4.640 0.000 0.000 0.227 1185 D C 0.590 176.995 176.300 0.175 0.000 1.190 1185 D CA 0.174 54.306 54.000 0.220 0.000 0.905 1185 D CB 0.408 41.264 40.800 0.095 0.000 1.034 1185 D HN 0.511 nan 8.370 nan 0.000 0.507 1186 L N 2.433 123.708 121.223 0.086 0.000 2.693 1186 L HA 0.100 4.441 4.340 0.000 0.000 0.235 1186 L C 1.367 178.214 176.870 -0.039 0.000 1.127 1186 L CA -0.053 54.835 54.840 0.080 0.000 0.914 1186 L CB 0.269 42.334 42.059 0.010 0.000 1.193 1186 L HN 0.253 nan 8.230 nan 0.000 0.502 1187 D N -1.045 119.309 120.400 -0.076 0.000 2.378 1187 D HA -0.178 4.462 4.640 0.000 0.000 0.227 1187 D C 1.503 177.743 176.300 -0.100 0.000 1.012 1187 D CA 0.656 54.616 54.000 -0.066 0.000 0.905 1187 D CB 0.068 40.842 40.800 -0.044 0.000 0.895 1187 D HN 0.158 nan 8.370 nan 0.000 0.532 1188 Q N -0.714 118.947 119.800 -0.232 0.000 2.220 1188 Q HA 0.064 4.404 4.340 0.000 0.000 0.205 1188 Q C 0.039 175.945 176.000 -0.156 0.000 0.865 1188 Q CA -0.007 55.661 55.803 -0.225 0.000 0.960 1188 Q CB 0.189 28.755 28.738 -0.286 0.000 1.097 1188 Q HN 0.472 nan 8.270 nan 0.000 0.493 1189 Y N -0.312 120.044 120.300 0.094 0.000 2.507 1189 Y HA 0.212 4.762 4.550 0.000 0.000 0.254 1189 Y C 1.524 177.473 175.900 0.082 0.000 1.171 1189 Y CA -0.578 57.610 58.100 0.147 0.000 1.238 1189 Y CB 0.513 39.134 38.460 0.269 0.000 1.148 1189 Y HN -0.038 nan 8.280 nan 0.000 0.525 1190 K N 0.389 120.875 120.400 0.142 0.000 2.281 1190 K HA -0.122 4.198 4.320 0.000 0.000 0.203 1190 K C 0.633 177.274 176.600 0.069 0.000 1.046 1190 K CA 1.243 57.569 56.287 0.065 0.000 0.938 1190 K CB -0.006 32.506 32.500 0.019 0.000 0.737 1190 K HN 0.212 nan 8.250 nan 0.000 0.458 1191 N N 1.145 119.906 118.700 0.101 0.000 2.273 1191 N HA -0.013 4.728 4.740 0.000 0.000 0.231 1191 N C -0.794 174.778 175.510 0.103 0.000 1.134 1191 N CA -0.001 53.099 53.050 0.083 0.000 0.856 1191 N CB 0.276 38.800 38.487 0.062 0.000 1.068 1191 N HN 0.237 nan 8.380 nan 0.000 0.510 1192 D N 0.457 120.950 120.400 0.155 0.000 2.382 1192 D HA 0.111 4.751 4.640 0.000 0.000 0.245 1192 D C 0.513 176.892 176.300 0.132 0.000 1.120 1192 D CA 0.092 54.172 54.000 0.133 0.000 0.890 1192 D CB 0.817 41.754 40.800 0.228 0.000 1.201 1192 D HN -0.090 nan 8.370 nan 0.000 0.433 1193 R N 1.839 122.365 120.500 0.044 0.000 2.661 1193 R HA 0.239 4.580 4.340 0.000 0.000 0.429 1193 R C -0.600 175.690 176.300 -0.017 0.000 1.044 1193 R CA -0.344 55.787 56.100 0.051 0.000 1.065 1193 R CB 0.250 30.569 30.300 0.033 0.000 1.377 1193 R HN 0.343 nan 8.270 nan 0.000 0.600 1194 S N -0.128 115.513 115.700 -0.098 0.000 2.580 1194 S HA 0.067 4.537 4.470 0.000 0.000 0.266 1194 S C 0.479 175.034 174.600 -0.075 0.000 1.354 1194 S CA -0.119 57.990 58.200 -0.151 0.000 1.008 1194 S CB 1.014 64.033 63.200 -0.302 0.000 0.898 1194 S HN 0.504 nan 8.310 nan 0.000 0.555 1195 S N 0.895 116.563 115.700 -0.053 0.000 2.661 1195 S HA 0.541 5.012 4.470 0.000 0.000 0.265 1195 S C 1.300 175.881 174.600 -0.031 0.000 1.225 1195 S CA -0.351 57.832 58.200 -0.028 0.000 0.986 1195 S CB 0.525 63.715 63.200 -0.017 0.000 1.008 1195 S HN 0.800 nan 8.310 nan 0.000 0.565 1196 A N 0.487 123.299 122.820 -0.014 0.000 1.898 1196 A HA 0.084 4.404 4.320 0.000 0.000 0.216 1196 A C 0.732 178.313 177.584 -0.006 0.000 1.181 1196 A CA 1.070 53.102 52.037 -0.008 0.000 0.620 1196 A CB -1.147 17.858 19.000 0.008 0.000 0.819 1196 A HN 0.851 nan 8.150 nan 0.000 0.442 1197 D N -1.533 118.865 120.400 -0.004 0.000 2.372 1197 D HA 0.393 5.033 4.640 0.000 0.000 0.243 1197 D C 1.371 177.667 176.300 -0.005 0.000 1.297 1197 D CA 1.244 55.242 54.000 -0.003 0.000 0.958 1197 D CB 0.025 40.824 40.800 -0.002 0.000 1.114 1197 D HN 0.291 nan 8.370 nan 0.000 0.496 1198 T N -0.782 113.770 114.554 -0.002 0.000 13.450 1198 T HA -0.331 4.019 4.350 0.000 0.000 0.419 1198 T C 1.752 176.443 174.700 -0.015 0.000 1.441 1198 T CA 1.395 63.505 62.100 0.017 0.000 2.355 1198 T CB -1.500 67.395 68.868 0.045 0.000 2.797 1198 T HN 0.454 nan 8.240 nan 0.000 0.561 1199 I N 1.859 122.430 120.570 0.002 0.000 2.248 1199 I HA -0.252 3.918 4.170 0.000 0.000 0.248 1199 I C 2.753 178.828 176.117 -0.070 0.000 1.107 1199 I CA 2.202 63.479 61.300 -0.038 0.000 1.373 1199 I CB -0.297 37.641 38.000 -0.102 0.000 1.055 1199 I HN 0.352 nan 8.210 nan 0.000 0.418 1200 Q N 1.250 121.031 119.800 -0.031 0.000 2.226 1200 Q HA -0.223 4.118 4.340 0.000 0.000 0.204 1200 Q C 2.021 177.999 176.000 -0.036 0.000 0.975 1200 Q CA 1.486 57.283 55.803 -0.010 0.000 0.866 1200 Q CB -0.301 28.440 28.738 0.006 0.000 0.915 1200 Q HN 0.296 nan 8.270 nan 0.000 0.440 1201 K N -0.840 119.519 120.400 -0.068 0.000 2.209 1201 K HA -0.041 4.279 4.320 0.000 0.000 0.204 1201 K C 0.343 176.916 176.600 -0.045 0.000 1.048 1201 K CA 1.154 57.418 56.287 -0.040 0.000 0.940 1201 K CB -0.216 32.261 32.500 -0.040 0.000 0.729 1201 K HN 0.320 nan 8.250 nan 0.000 0.451 1202 G N -0.668 107.962 108.800 -0.284 0.000 2.422 1202 G HA2 -0.078 3.882 3.960 0.000 0.000 0.607 1202 G HA3 -0.078 3.882 3.960 0.000 0.000 0.607 1202 G C -1.228 173.168 174.900 -0.840 0.000 1.270 1202 G CA -0.633 44.221 45.100 -0.409 0.000 0.992 1202 G HN 0.112 nan 8.290 nan 0.000 0.499 1203 F N -0.118 119.581 119.950 -0.418 0.000 2.557 1203 F HA 0.713 5.240 4.527 0.000 0.000 0.316 1203 F C -0.322 175.341 175.800 -0.229 0.000 1.141 1203 F CA -0.656 57.257 58.000 -0.145 0.000 0.922 1203 F CB 2.162 41.117 39.000 -0.075 0.000 1.194 1203 F HN 0.536 nan 8.300 nan 0.000 0.443 1204 Y N 1.551 122.064 120.300 0.355 0.000 2.512 1204 Y HA 0.539 5.090 4.550 0.000 0.000 0.348 1204 Y C -1.197 174.609 175.900 -0.157 0.000 0.990 1204 Y CA -1.399 56.801 58.100 0.167 0.000 1.033 1204 Y CB 2.145 40.657 38.460 0.085 0.000 1.259 1204 Y HN 0.548 nan 8.280 nan 0.000 0.461 1205 Y N 1.189 121.346 120.300 -0.238 0.000 2.429 1205 Y HA 0.760 5.311 4.550 0.000 0.000 0.342 1205 Y C -1.243 174.741 175.900 0.140 0.000 1.004 1205 Y CA -1.012 56.843 58.100 -0.409 0.000 1.075 1205 Y CB 1.591 39.556 38.460 -0.825 0.000 1.214 1205 Y HN 0.393 nan 8.280 nan 0.000 0.455 1206 V N 4.981 124.907 119.914 0.020 0.000 2.577 1206 V HA 0.270 4.390 4.120 0.000 0.000 0.303 1206 V C -1.231 175.052 176.094 0.316 0.000 1.042 1206 V CA -0.942 61.511 62.300 0.256 0.000 0.872 1206 V CB 1.770 33.656 31.823 0.106 0.000 0.998 1206 V HN 0.723 nan 8.190 nan 0.000 0.423 1207 D N 3.248 123.934 120.400 0.478 0.000 2.414 1207 D HA 0.176 4.817 4.640 0.000 0.000 0.232 1207 D C -1.037 175.510 176.300 0.411 0.000 1.070 1207 D CA -0.272 53.966 54.000 0.396 0.000 0.839 1207 D CB 1.865 42.920 40.800 0.426 0.000 1.079 1207 D HN 0.572 nan 8.370 nan 0.000 0.521 1208 D N 4.243 124.821 120.400 0.298 0.000 2.453 1208 D HA 0.053 4.693 4.640 0.000 0.000 0.223 1208 D C -0.535 175.875 176.300 0.183 0.000 1.183 1208 D CA -0.303 53.841 54.000 0.240 0.000 0.933 1208 D CB -0.465 40.454 40.800 0.199 0.000 1.038 1208 D HN 0.365 nan 8.370 nan 0.000 0.513 1209 Y N 1.387 121.771 120.300 0.140 0.000 2.376 1209 Y HA 0.689 5.240 4.550 0.000 0.000 0.325 1209 Y C -2.424 173.538 175.900 0.104 0.000 1.199 1209 Y CA -3.049 55.113 58.100 0.103 0.000 1.206 1209 Y CB 0.547 39.076 38.460 0.116 0.000 1.229 1209 Y HN 0.098 nan 8.280 nan 0.000 0.480 1210 P HA 0.062 nan 4.420 nan 0.000 0.266 1210 P C 0.063 177.402 177.300 0.065 0.000 1.586 1210 P CA -0.165 62.983 63.100 0.081 0.000 1.088 1210 P CB 0.880 32.688 31.700 0.179 0.000 1.584 1211 E N 2.883 123.025 120.200 -0.097 0.000 2.347 1211 E HA -0.179 4.172 4.350 0.000 0.000 0.196 1211 E C 0.569 177.189 176.600 0.032 0.000 1.008 1211 E CA 1.122 57.522 56.400 -0.000 0.000 0.852 1211 E CB -0.215 29.396 29.700 -0.148 0.000 0.783 1211 E HN 0.450 nan 8.360 nan 0.000 0.505 1212 E N 0.072 120.278 120.200 0.009 0.000 2.481 1212 E HA 0.096 4.446 4.350 0.000 0.000 0.195 1212 E C 1.402 178.006 176.600 0.007 0.000 1.047 1212 E CA 0.634 57.041 56.400 0.012 0.000 0.867 1212 E CB 0.278 29.986 29.700 0.013 0.000 0.858 1212 E HN 0.442 nan 8.360 nan 0.000 0.513 1213 A N -0.042 122.774 122.820 -0.006 0.000 2.070 1213 A HA 0.264 4.584 4.320 0.000 0.000 0.202 1213 A C 0.629 178.117 177.584 -0.160 0.000 1.277 1213 A CA -0.018 51.963 52.037 -0.093 0.000 0.872 1213 A CB 0.602 19.511 19.000 -0.152 0.000 0.933 1213 A HN 0.026 nan 8.150 nan 0.000 0.475 1214 L N 0.116 121.295 121.223 -0.073 0.000 2.341 1214 L HA 0.579 4.920 4.340 0.000 0.000 0.267 1214 L C -0.875 176.008 176.870 0.022 0.000 1.009 1214 L CA -0.675 54.124 54.840 -0.069 0.000 0.819 1214 L CB 2.062 44.099 42.059 -0.037 0.000 1.323 1214 L HN 0.158 nan 8.230 nan 0.000 0.425 1215 E N 1.573 121.744 120.200 -0.048 0.000 2.199 1215 E HA 0.493 4.843 4.350 0.000 0.000 0.269 1215 E C -1.148 175.369 176.600 -0.139 0.000 0.899 1215 E CA -0.740 55.626 56.400 -0.056 0.000 0.772 1215 E CB 2.451 32.120 29.700 -0.052 0.000 1.155 1215 E HN 0.364 nan 8.360 nan 0.000 0.408 1216 L N 2.799 123.900 121.223 -0.204 0.000 2.490 1216 L HA 0.164 4.505 4.340 0.000 0.000 0.274 1216 L C 0.687 177.466 176.870 -0.152 0.000 1.201 1216 L CA -0.003 54.692 54.840 -0.243 0.000 0.869 1216 L CB 0.159 42.028 42.059 -0.318 0.000 1.123 1216 L HN 0.298 nan 8.230 nan 0.000 0.484 1217 R N 3.553 123.970 120.500 -0.139 0.000 3.559 1217 R HA 0.048 4.388 4.340 0.000 0.000 0.273 1217 R C 1.255 177.510 176.300 -0.074 0.000 1.423 1217 R CA -0.248 55.793 56.100 -0.099 0.000 1.581 1217 R CB 0.527 30.765 30.300 -0.102 0.000 1.338 1217 R HN 0.649 nan 8.270 nan 0.000 0.667 1218 Q N 0.461 120.210 119.800 -0.084 0.000 2.248 1218 Q HA -0.202 4.138 4.340 0.000 0.000 0.208 1218 Q C 0.240 176.220 176.000 -0.033 0.000 0.984 1218 Q CA 1.891 57.651 55.803 -0.072 0.000 0.875 1218 Q CB 0.074 28.754 28.738 -0.096 0.000 0.910 1218 Q HN 0.404 nan 8.270 nan 0.000 0.433 1219 D N 0.418 120.801 120.400 -0.028 0.000 2.350 1219 D HA -0.008 4.632 4.640 0.000 0.000 0.213 1219 D C 1.586 177.893 176.300 0.011 0.000 1.031 1219 D CA 0.019 54.014 54.000 -0.010 0.000 0.861 1219 D CB -0.170 40.620 40.800 -0.016 0.000 0.926 1219 D HN 0.332 nan 8.370 nan 0.000 0.520 1220 L N 0.782 122.015 121.223 0.017 0.000 2.628 1220 L HA 0.188 4.528 4.340 0.000 0.000 0.229 1220 L C 0.492 177.403 176.870 0.068 0.000 1.137 1220 L CA -0.266 54.601 54.840 0.046 0.000 0.909 1220 L CB 0.572 42.664 42.059 0.055 0.000 1.137 1220 L HN -0.191 nan 8.230 nan 0.000 0.470 1221 V N 1.921 121.875 119.914 0.067 0.000 2.485 1221 V HA 0.002 4.122 4.120 0.000 0.000 0.287 1221 V C 0.291 176.445 176.094 0.099 0.000 1.022 1221 V CA 0.498 62.864 62.300 0.110 0.000 1.067 1221 V CB 0.519 32.432 31.823 0.150 0.000 0.967 1221 V HN 0.295 nan 8.190 nan 0.000 0.479 1222 K N 6.091 126.544 120.400 0.089 0.000 2.371 1222 K HA 0.693 5.013 4.320 0.000 0.000 0.251 1222 K C -1.148 175.473 176.600 0.035 0.000 0.934 1222 K CA -0.658 55.664 56.287 0.060 0.000 0.798 1222 K CB 2.611 35.138 32.500 0.044 0.000 1.204 1222 K HN 0.473 nan 8.250 nan 0.000 0.427 1223 I N 2.456 123.042 120.570 0.026 0.000 2.439 1223 I HA 0.210 4.380 4.170 0.000 0.000 0.283 1223 I C -0.326 175.776 176.117 -0.026 0.000 1.023 1223 I CA -0.619 60.673 61.300 -0.014 0.000 1.100 1223 I CB 1.967 39.977 38.000 0.017 0.000 1.238 1223 I HN 0.672 nan 8.210 nan 0.000 0.445 1224 T N 0.584 115.111 114.554 -0.046 0.000 2.907 1224 T HA 0.592 4.942 4.350 0.000 0.000 0.292 1224 T C -0.603 174.058 174.700 -0.064 0.000 1.043 1224 T CA -0.918 61.159 62.100 -0.038 0.000 1.003 1224 T CB 2.314 71.171 68.868 -0.018 0.000 1.084 1224 T HN 0.505 nan 8.240 nan 0.000 0.483 1225 D N 1.151 121.525 120.400 -0.044 0.000 2.506 1225 D HA 0.534 5.174 4.640 0.000 0.000 0.272 1225 D C 1.361 177.650 176.300 -0.018 0.000 1.214 1225 D CA -0.610 53.364 54.000 -0.044 0.000 1.067 1225 D CB 0.280 41.104 40.800 0.040 0.000 1.117 1225 D HN 0.649 nan 8.370 nan 0.000 0.578 1226 A N -0.559 122.253 122.820 -0.013 0.000 2.119 1226 A HA -0.052 4.268 4.320 0.000 0.000 0.216 1226 A C 1.134 178.713 177.584 -0.008 0.000 1.152 1226 A CA 0.302 52.332 52.037 -0.012 0.000 0.708 1226 A CB -0.617 18.375 19.000 -0.015 0.000 0.805 1226 A HN 0.479 nan 8.150 nan 0.000 0.460 1227 N N -0.259 118.439 118.700 -0.002 0.000 2.313 1227 N HA 0.197 4.937 4.740 0.000 0.000 0.207 1227 N C 1.240 176.749 175.510 -0.001 0.000 1.141 1227 N CA 0.881 53.928 53.050 -0.005 0.000 0.830 1227 N CB 0.396 38.877 38.487 -0.011 0.000 1.008 1227 N HN 0.547 nan 8.380 nan 0.000 0.481 1228 G N 0.729 109.529 108.800 0.000 0.000 2.353 1228 G HA2 -0.326 3.634 3.960 0.000 0.000 0.258 1228 G HA3 -0.326 3.634 3.960 0.000 0.000 0.258 1228 G C 0.231 175.136 174.900 0.008 0.000 1.013 1228 G CA -0.094 45.006 45.100 0.001 0.000 0.622 1228 G HN 0.379 nan 8.290 nan 0.000 0.535 1229 N N 2.019 120.729 118.700 0.017 0.000 2.429 1229 N HA 0.238 4.978 4.740 0.000 0.000 0.271 1229 N C 0.587 176.124 175.510 0.044 0.000 1.272 1229 N CA 0.644 53.712 53.050 0.030 0.000 0.921 1229 N CB 0.759 39.267 38.487 0.035 0.000 1.128 1229 N HN 0.813 nan 8.380 nan 0.000 0.481 1230 E N 1.464 121.684 120.200 0.034 0.000 2.459 1230 E HA -0.026 4.324 4.350 0.000 0.000 0.264 1230 E C -0.533 176.103 176.600 0.059 0.000 1.055 1230 E CA -0.232 56.188 56.400 0.033 0.000 0.957 1230 E CB 0.662 30.381 29.700 0.030 0.000 0.952 1230 E HN 0.154 nan 8.360 nan 0.000 0.448 1231 V N 3.504 123.439 119.914 0.035 0.000 2.607 1231 V HA 0.316 4.436 4.120 0.000 0.000 0.289 1231 V C 0.421 176.570 176.094 0.092 0.000 1.053 1231 V CA 0.079 62.404 62.300 0.041 0.000 0.996 1231 V CB 1.241 33.000 31.823 -0.106 0.000 0.995 1231 V HN 0.901 nan 8.190 nan 0.000 0.476 1232 T N -0.273 114.379 114.554 0.162 0.000 2.906 1232 T HA 0.687 5.037 4.350 0.000 0.000 0.295 1232 T C 0.575 175.390 174.700 0.192 0.000 1.061 1232 T CA 0.007 62.193 62.100 0.144 0.000 1.000 1232 T CB 1.772 70.711 68.868 0.118 0.000 1.103 1232 T HN 1.789 nan 8.240 nan 0.000 0.486 1233 G N 0.149 109.040 108.800 0.151 0.000 2.141 1233 G HA2 -0.154 3.806 3.960 0.000 0.000 0.242 1233 G HA3 -0.154 3.806 3.960 0.000 0.000 0.242 1233 G C -0.124 174.865 174.900 0.148 0.000 0.982 1233 G CA -0.070 45.127 45.100 0.162 0.000 0.662 1233 G HN 1.265 nan 8.290 nan 0.000 0.527 1234 V N 2.112 122.108 119.914 0.137 0.000 2.350 1234 V HA 0.676 4.796 4.120 0.000 0.000 0.285 1234 V C 0.627 176.802 176.094 0.135 0.000 1.014 1234 V CA -0.116 62.263 62.300 0.132 0.000 0.831 1234 V CB 1.426 33.358 31.823 0.181 0.000 1.000 1234 V HN 0.884 nan 8.190 nan 0.000 0.433 1235 S N 4.277 120.038 115.700 0.103 0.000 2.617 1235 S HA 0.754 5.224 4.470 0.000 0.000 0.283 1235 S C -0.531 174.095 174.600 0.045 0.000 1.189 1235 S CA -0.723 57.518 58.200 0.069 0.000 1.036 1235 S CB 2.099 65.322 63.200 0.038 0.000 1.014 1235 S HN 0.681 nan 8.310 nan 0.000 0.522 1236 V N 1.465 121.347 119.914 -0.053 0.000 2.417 1236 V HA 0.584 4.704 4.120 0.000 0.000 0.291 1236 V C -1.720 174.212 176.094 -0.270 0.000 1.024 1236 V CA -0.476 61.659 62.300 -0.275 0.000 0.861 1236 V CB 1.319 32.889 31.823 -0.422 0.000 0.985 1236 V HN 1.045 nan 8.190 nan 0.000 0.436 1237 D N 4.156 124.367 120.400 -0.315 0.000 2.481 1237 D HA 0.505 5.145 4.640 0.000 0.000 0.244 1237 D C -1.119 174.836 176.300 -0.575 0.000 1.057 1237 D CA -0.325 53.426 54.000 -0.415 0.000 0.848 1237 D CB 1.449 42.010 40.800 -0.400 0.000 1.388 1237 D HN 0.737 nan 8.370 nan 0.000 0.475 1238 N N 0.989 119.313 118.700 -0.628 0.000 2.392 1238 N HA 0.432 5.172 4.740 0.000 0.000 0.283 1238 N C -1.379 173.696 175.510 -0.725 0.000 1.003 1238 N CA -0.654 52.093 53.050 -0.504 0.000 0.892 1238 N CB 1.193 39.517 38.487 -0.271 0.000 1.193 1238 N HN 0.304 nan 8.380 nan 0.000 0.487 1239 Y N -0.031 120.011 120.300 -0.429 0.000 2.352 1239 Y HA 0.233 4.783 4.550 0.000 0.000 0.339 1239 Y C 1.682 177.359 175.900 -0.371 0.000 0.992 1239 Y CA -0.967 56.834 58.100 -0.498 0.000 1.100 1239 Y CB 1.650 39.611 38.460 -0.832 0.000 1.192 1239 Y HN 0.615 nan 8.280 nan 0.000 0.458 1240 T N -2.174 112.349 114.554 -0.051 0.000 2.995 1240 T HA 0.094 4.444 4.350 0.000 0.000 0.269 1240 T C 0.431 175.125 174.700 -0.010 0.000 1.091 1240 T CA 0.951 63.034 62.100 -0.028 0.000 1.128 1240 T CB -0.190 68.673 68.868 -0.009 0.000 0.891 1240 T HN 0.569 nan 8.240 nan 0.000 0.492 1241 S N -1.223 114.488 115.700 0.018 0.000 2.636 1241 S HA 0.479 4.949 4.470 0.000 0.000 0.266 1241 S C 0.327 175.027 174.600 0.166 0.000 1.147 1241 S CA -0.893 57.361 58.200 0.090 0.000 0.815 1241 S CB 0.899 64.128 63.200 0.048 0.000 1.119 1241 S HN 0.043 nan 8.310 nan 0.000 0.470 1242 L N 1.016 122.370 121.223 0.219 0.000 2.131 1242 L HA -0.089 4.251 4.340 0.000 0.000 0.210 1242 L C 2.609 179.501 176.870 0.037 0.000 1.092 1242 L CA 2.412 57.362 54.840 0.183 0.000 0.759 1242 L CB -0.381 41.705 42.059 0.046 0.000 0.903 1242 L HN 1.026 nan 8.230 nan 0.000 0.435 1243 E N -0.346 119.864 120.200 0.017 0.000 2.371 1243 E HA -0.092 4.258 4.350 0.000 0.000 0.194 1243 E C 1.776 178.367 176.600 -0.015 0.000 1.012 1243 E CA 0.892 57.285 56.400 -0.012 0.000 0.860 1243 E CB 0.020 29.715 29.700 -0.009 0.000 0.811 1243 E HN 0.345 nan 8.360 nan 0.000 0.502 1244 A N 0.926 123.746 122.820 0.001 0.000 2.119 1244 A HA 0.386 4.707 4.320 0.000 0.000 0.216 1244 A C 1.439 179.011 177.584 -0.019 0.000 1.152 1244 A CA 0.521 52.572 52.037 0.023 0.000 0.708 1244 A CB -0.375 18.666 19.000 0.069 0.000 0.805 1244 A HN 0.409 nan 8.150 nan 0.000 0.460 1245 A N 0.876 123.583 122.820 -0.187 0.000 2.407 1245 A HA 0.551 4.871 4.320 0.000 0.000 0.248 1245 A C -2.288 175.128 177.584 -0.279 0.000 1.082 1245 A CA -1.288 50.410 52.037 -0.565 0.000 0.785 1245 A CB -0.248 18.379 19.000 -0.622 0.000 1.020 1245 A HN 0.246 nan 8.150 nan 0.000 0.489 1246 P HA 0.184 nan 4.420 nan 0.000 0.271 1246 P C 0.142 177.376 177.300 -0.111 0.000 1.233 1246 P CA -0.184 62.855 63.100 -0.103 0.000 0.789 1246 P CB 0.434 32.113 31.700 -0.035 0.000 0.951 1247 Q N 0.782 120.541 119.800 -0.069 0.000 2.096 1247 Q HA -0.240 4.100 4.340 0.000 0.000 0.204 1247 Q C 2.054 178.006 176.000 -0.079 0.000 0.982 1247 Q CA 2.273 58.034 55.803 -0.070 0.000 0.850 1247 Q CB -0.762 27.948 28.738 -0.046 0.000 0.901 1247 Q HN 0.713 nan 8.270 nan 0.000 0.422 1248 E N 0.273 120.440 120.200 -0.055 0.000 2.086 1248 E HA -0.248 4.102 4.350 0.000 0.000 0.200 1248 E C 1.544 178.066 176.600 -0.129 0.000 1.012 1248 E CA 1.635 58.003 56.400 -0.053 0.000 0.812 1248 E CB -0.297 29.413 29.700 0.017 0.000 0.743 1248 E HN 0.227 nan 8.360 nan 0.000 0.453 1249 I N 1.270 121.752 120.570 -0.146 0.000 2.202 1249 I HA -0.153 4.017 4.170 0.000 0.000 0.242 1249 I C 2.657 178.632 176.117 -0.237 0.000 1.091 1249 I CA 1.358 62.521 61.300 -0.229 0.000 1.368 1249 I CB -1.287 36.577 38.000 -0.226 0.000 1.058 1249 I HN 0.176 nan 8.210 nan 0.000 0.410 1250 R N 0.626 121.013 120.500 -0.189 0.000 2.096 1250 R HA -0.209 4.131 4.340 0.000 0.000 0.240 1250 R C 1.930 178.124 176.300 -0.176 0.000 1.139 1250 R CA 1.803 57.800 56.100 -0.172 0.000 0.952 1250 R CB -0.343 29.879 30.300 -0.129 0.000 0.854 1250 R HN 0.375 nan 8.270 nan 0.000 0.436 1251 D N -0.006 120.302 120.400 -0.153 0.000 2.117 1251 D HA -0.145 4.496 4.640 0.000 0.000 0.197 1251 D C 1.841 178.037 176.300 -0.173 0.000 0.987 1251 D CA 0.963 54.880 54.000 -0.138 0.000 0.829 1251 D CB -0.392 40.347 40.800 -0.102 0.000 0.961 1251 D HN 0.029 nan 8.370 nan 0.000 0.460 1252 V N 0.450 120.221 119.914 -0.239 0.000 2.358 1252 V HA -0.182 3.938 4.120 0.000 0.000 0.246 1252 V C 2.158 178.078 176.094 -0.290 0.000 1.047 1252 V CA 1.133 63.256 62.300 -0.294 0.000 1.035 1252 V CB -0.227 31.270 31.823 -0.543 0.000 0.658 1252 V HN 0.076 nan 8.190 nan 0.000 0.452 1253 L N 0.165 121.195 121.223 -0.321 0.000 2.017 1253 L HA -0.112 4.228 4.340 0.000 0.000 0.208 1253 L C 2.819 179.526 176.870 -0.271 0.000 1.073 1253 L CA 2.457 57.097 54.840 -0.333 0.000 0.745 1253 L CB -1.732 40.095 42.059 -0.387 0.000 0.894 1253 L HN 0.486 nan 8.230 nan 0.000 0.432 1254 S N -0.583 114.984 115.700 -0.222 0.000 2.353 1254 S HA -0.226 4.245 4.470 0.000 0.000 0.222 1254 S C 1.991 176.502 174.600 -0.149 0.000 1.035 1254 S CA 1.470 59.566 58.200 -0.174 0.000 1.025 1254 S CB -0.027 63.089 63.200 -0.141 0.000 0.902 1254 S HN 0.394 nan 8.310 nan 0.000 0.440 1255 K N 0.559 120.877 120.400 -0.137 0.000 2.280 1255 K HA 0.067 4.388 4.320 0.000 0.000 0.202 1255 K C 1.890 178.423 176.600 -0.111 0.000 1.047 1255 K CA 1.008 57.231 56.287 -0.107 0.000 0.942 1255 K CB -0.190 32.256 32.500 -0.090 0.000 0.739 1255 K HN 0.426 nan 8.250 nan 0.000 0.457 1256 A N 0.119 122.851 122.820 -0.146 0.000 2.238 1256 A HA 0.233 4.553 4.320 0.000 0.000 0.210 1256 A C 1.294 178.778 177.584 -0.167 0.000 1.179 1256 A CA 0.629 52.575 52.037 -0.151 0.000 0.827 1256 A CB -0.064 18.834 19.000 -0.171 0.000 0.856 1256 A HN 0.344 nan 8.150 nan 0.000 0.488 1257 G N -0.766 107.932 108.800 -0.170 0.000 2.137 1257 G HA2 -0.210 3.750 3.960 0.000 0.000 0.237 1257 G HA3 -0.210 3.750 3.960 0.000 0.000 0.237 1257 G C -0.070 174.699 174.900 -0.220 0.000 1.002 1257 G CA 0.370 45.373 45.100 -0.161 0.000 0.702 1257 G HN 0.474 nan 8.290 nan 0.000 0.515 1258 I N 0.107 120.484 120.570 -0.321 0.000 2.362 1258 I HA 0.506 4.676 4.170 0.000 0.000 0.289 1258 I C 0.441 176.290 176.117 -0.447 0.000 0.994 1258 I CA -0.781 60.217 61.300 -0.503 0.000 1.158 1258 I CB 1.627 39.143 38.000 -0.807 0.000 1.315 1258 I HN 0.006 nan 8.210 nan 0.000 0.451 1259 R N 6.264 126.537 120.500 -0.378 0.000 2.352 1259 R HA 0.420 4.760 4.340 0.000 0.000 0.304 1259 R C -2.558 173.557 176.300 -0.307 0.000 1.104 1259 R CA -1.682 54.229 56.100 -0.314 0.000 0.991 1259 R CB 0.973 31.155 30.300 -0.196 0.000 1.140 1259 R HN 0.280 nan 8.270 nan 0.000 0.540 1260 P HA -0.026 nan 4.420 nan 0.000 0.267 1260 P C -0.793 176.417 177.300 -0.150 0.000 1.205 1260 P CA -0.243 62.660 63.100 -0.329 0.000 0.765 1260 P CB 0.644 31.916 31.700 -0.713 0.000 0.828 1261 K N 2.933 123.295 120.400 -0.064 0.000 2.312 1261 K HA 0.399 4.719 4.320 0.000 0.000 0.287 1261 K C 0.987 177.581 176.600 -0.010 0.000 1.062 1261 K CA 0.335 56.602 56.287 -0.032 0.000 0.934 1261 K CB -0.260 32.228 32.500 -0.020 0.000 1.027 1261 K HN 0.698 nan 8.250 nan 0.000 0.478 1262 G N 3.137 111.942 108.800 0.007 0.000 2.556 1262 G HA2 -0.337 3.623 3.960 0.000 0.000 0.283 1262 G HA3 -0.337 3.623 3.960 0.000 0.000 0.283 1262 G C -0.202 174.734 174.900 0.060 0.000 1.177 1262 G CA -0.131 44.972 45.100 0.005 0.000 0.978 1262 G HN 0.966 nan 8.290 nan 0.000 0.554 1263 A N 0.075 122.840 122.820 -0.090 0.000 2.322 1263 A HA 0.881 5.201 4.320 0.000 0.000 0.269 1263 A C -0.212 177.310 177.584 -0.103 0.000 1.094 1263 A CA 0.898 52.847 52.037 -0.148 0.000 0.807 1263 A CB 0.261 19.087 19.000 -0.290 0.000 1.047 1263 A HN 2.138 nan 8.150 nan 0.000 0.487 1264 F N -1.610 118.327 119.950 -0.021 0.000 2.668 1264 F HA 0.614 5.142 4.527 0.000 0.000 0.309 1264 F C -0.727 175.255 175.800 0.303 0.000 1.117 1264 F CA -1.014 57.071 58.000 0.142 0.000 0.951 1264 F CB 1.091 40.144 39.000 0.088 0.000 1.323 1264 F HN 0.551 nan 8.300 nan 0.000 0.451 1265 Q N 2.080 122.136 119.800 0.427 0.000 2.222 1265 Q HA 0.627 4.967 4.340 0.000 0.000 0.252 1265 Q C -1.188 174.964 176.000 0.254 0.000 0.926 1265 Q CA -0.994 54.895 55.803 0.142 0.000 0.899 1265 Q CB 2.626 31.379 28.738 0.026 0.000 1.250 1265 Q HN 0.504 nan 8.270 nan 0.000 0.441 1266 I N 2.785 123.397 120.570 0.069 0.000 2.418 1266 I HA 0.331 4.501 4.170 0.000 0.000 0.287 1266 I C -0.951 175.160 176.117 -0.009 0.000 1.008 1266 I CA -0.530 60.912 61.300 0.237 0.000 1.104 1266 I CB 1.035 39.278 38.000 0.405 0.000 1.264 1266 I HN 0.566 nan 8.210 nan 0.000 0.438 1267 F N 5.777 125.872 119.950 0.241 0.000 2.385 1267 F HA 0.522 5.049 4.527 0.000 0.000 0.360 1267 F C 0.685 176.610 175.800 0.209 0.000 1.122 1267 F CA -0.622 57.498 58.000 0.201 0.000 1.090 1267 F CB 1.095 40.214 39.000 0.199 0.000 1.150 1267 F HN 0.350 nan 8.300 nan 0.000 0.472 1268 R N 2.269 122.923 120.500 0.258 0.000 2.670 1268 R HA 0.804 5.144 4.340 0.000 0.000 0.289 1268 R C -1.049 175.216 176.300 -0.057 0.000 0.965 1268 R CA -0.879 55.261 56.100 0.066 0.000 0.899 1268 R CB 1.541 31.908 30.300 0.113 0.000 1.173 1268 R HN 0.753 nan 8.270 nan 0.000 0.456 1269 A N 3.215 125.869 122.820 -0.276 0.000 2.354 1269 A HA 0.149 4.469 4.320 0.000 0.000 0.281 1269 A C 0.139 177.657 177.584 -0.110 0.000 1.174 1269 A CA -0.473 51.372 52.037 -0.320 0.000 0.828 1269 A CB 0.448 19.024 19.000 -0.707 0.000 1.099 1269 A HN 0.920 nan 8.150 nan 0.000 0.516 1270 D N 0.935 121.332 120.400 -0.004 0.000 2.123 1270 D HA -0.101 4.540 4.640 0.000 0.000 0.196 1270 D C 0.333 176.666 176.300 0.054 0.000 0.992 1270 D CA 1.755 55.777 54.000 0.037 0.000 0.833 1270 D CB 0.155 40.993 40.800 0.064 0.000 0.954 1270 D HN 0.553 nan 8.370 nan 0.000 0.455 1271 N N -0.871 117.884 118.700 0.092 0.000 2.576 1271 N HA 0.154 4.894 4.740 0.000 0.000 0.269 1271 N C -2.274 173.348 175.510 0.186 0.000 1.058 1271 N CA -1.815 51.306 53.050 0.117 0.000 0.860 1271 N CB 2.002 40.559 38.487 0.116 0.000 1.249 1271 N HN -0.277 nan 8.380 nan 0.000 0.525 1272 P HA -0.148 nan 4.420 nan 0.000 0.215 1272 P C 1.321 178.856 177.300 0.392 0.000 1.157 1272 P CA 1.141 64.439 63.100 0.330 0.000 0.874 1272 P CB 0.444 32.262 31.700 0.196 0.000 0.790 1273 R N 0.970 121.625 120.500 0.258 0.000 2.094 1273 R HA -0.202 4.138 4.340 0.000 0.000 0.239 1273 R C 2.213 178.661 176.300 0.246 0.000 1.137 1273 R CA 2.333 58.583 56.100 0.250 0.000 0.943 1273 R CB -1.512 28.883 30.300 0.159 0.000 0.850 1273 R HN 0.211 nan 8.270 nan 0.000 0.433 1274 E N -1.214 119.097 120.200 0.185 0.000 2.106 1274 E HA -0.191 4.160 4.350 0.000 0.000 0.192 1274 E C 1.819 178.484 176.600 0.109 0.000 0.984 1274 E CA 1.103 57.573 56.400 0.116 0.000 0.806 1274 E CB -0.346 29.413 29.700 0.098 0.000 0.750 1274 E HN 0.421 nan 8.360 nan 0.000 0.458 1275 F N 0.495 120.475 119.950 0.051 0.000 2.134 1275 F HA -0.229 4.298 4.527 0.000 0.000 0.299 1275 F C 2.095 177.827 175.800 -0.114 0.000 1.097 1275 F CA 1.776 59.785 58.000 0.015 0.000 1.264 1275 F CB -0.533 38.461 39.000 -0.009 0.000 1.001 1275 F HN 0.150 nan 8.300 nan 0.000 0.479 1276 Y N 1.604 121.848 120.300 -0.093 0.000 2.070 1276 Y HA -0.285 4.265 4.550 0.000 0.000 0.280 1276 Y C 2.314 178.092 175.900 -0.202 0.000 1.148 1276 Y CA 2.321 60.288 58.100 -0.222 0.000 1.125 1276 Y CB -0.967 37.536 38.460 0.071 0.000 0.975 1276 Y HN 0.087 nan 8.280 nan 0.000 0.492 1277 D N -1.016 119.271 120.400 -0.189 0.000 2.218 1277 D HA -0.134 4.506 4.640 0.000 0.000 0.204 1277 D C 1.995 178.071 176.300 -0.372 0.000 0.976 1277 D CA 1.820 55.646 54.000 -0.289 0.000 0.853 1277 D CB -0.278 40.461 40.800 -0.101 0.000 0.939 1277 D HN 0.440 nan 8.370 nan 0.000 0.481 1278 T N -0.703 113.584 114.554 -0.444 0.000 2.901 1278 T HA -0.038 4.312 4.350 0.000 0.000 0.252 1278 T C 1.432 175.590 174.700 -0.903 0.000 1.035 1278 T CA 0.782 62.467 62.100 -0.692 0.000 1.142 1278 T CB -0.052 68.286 68.868 -0.882 0.000 0.869 1278 T HN 0.189 nan 8.240 nan 0.000 0.442 1279 Y N -0.332 119.593 120.300 -0.625 0.000 2.589 1279 Y HA 0.355 4.905 4.550 0.000 0.000 0.271 1279 Y C 2.194 177.745 175.900 -0.582 0.000 1.107 1279 Y CA -0.377 57.328 58.100 -0.658 0.000 1.273 1279 Y CB -0.054 37.835 38.460 -0.953 0.000 1.266 1279 Y HN -0.061 nan 8.280 nan 0.000 0.504 1280 V N 0.020 119.618 119.914 -0.526 0.000 2.283 1280 V HA -0.129 3.991 4.120 0.000 0.000 0.239 1280 V C 2.310 178.282 176.094 -0.204 0.000 1.035 1280 V CA 1.399 63.501 62.300 -0.330 0.000 1.018 1280 V CB -0.404 31.174 31.823 -0.408 0.000 0.658 1280 V HN 0.066 nan 8.190 nan 0.000 0.459 1281 K N 1.018 121.117 120.400 -0.502 0.000 2.281 1281 K HA -0.151 4.169 4.320 0.000 0.000 0.203 1281 K C 2.042 178.513 176.600 -0.215 0.000 1.046 1281 K CA 2.029 58.068 56.287 -0.413 0.000 0.938 1281 K CB -0.688 31.391 32.500 -0.702 0.000 0.737 1281 K HN 0.746 nan 8.250 nan 0.000 0.458 1282 T N -3.874 110.538 114.554 -0.237 0.000 3.060 1282 T HA 0.185 4.535 4.350 0.000 0.000 0.249 1282 T C 1.044 175.678 174.700 -0.110 0.000 1.079 1282 T CA 0.461 62.459 62.100 -0.170 0.000 1.013 1282 T CB 0.102 68.840 68.868 -0.217 0.000 0.975 1282 T HN 0.230 nan 8.240 nan 0.000 0.518 1283 G N 2.200 110.950 108.800 -0.083 0.000 2.314 1283 G HA2 -0.199 3.761 3.960 0.000 0.000 0.292 1283 G HA3 -0.199 3.761 3.960 0.000 0.000 0.292 1283 G C -0.130 174.738 174.900 -0.053 0.000 1.059 1283 G CA 0.049 45.128 45.100 -0.035 0.000 0.982 1283 G HN 0.727 nan 8.290 nan 0.000 0.505 1284 I N 0.550 121.077 120.570 -0.072 0.000 2.312 1284 I HA 0.237 4.407 4.170 0.000 0.000 0.290 1284 I C -0.249 175.830 176.117 -0.064 0.000 1.008 1284 I CA -1.065 60.209 61.300 -0.044 0.000 1.226 1284 I CB 1.011 39.015 38.000 0.007 0.000 1.371 1284 I HN -0.072 nan 8.210 nan 0.000 0.468 1285 D N 7.140 127.513 120.400 -0.044 0.000 2.455 1285 D HA 0.281 4.921 4.640 0.000 0.000 0.241 1285 D C -0.030 176.228 176.300 -0.069 0.000 1.138 1285 D CA 0.268 54.247 54.000 -0.035 0.000 0.877 1285 D CB 1.073 41.874 40.800 0.001 0.000 1.187 1285 D HN 0.307 nan 8.370 nan 0.000 0.451 1286 L N 1.594 122.771 121.223 -0.077 0.000 2.334 1286 L HA 0.454 4.794 4.340 0.000 0.000 0.275 1286 L C 0.507 177.347 176.870 -0.050 0.000 1.036 1286 L CA -0.818 53.959 54.840 -0.104 0.000 0.807 1286 L CB 1.094 43.051 42.059 -0.170 0.000 1.231 1286 L HN 0.127 nan 8.230 nan 0.000 0.438 1287 K N 2.588 122.939 120.400 -0.082 0.000 2.345 1287 K HA 0.648 4.968 4.320 0.000 0.000 0.255 1287 K C -1.390 175.132 176.600 -0.131 0.000 0.934 1287 K CA -0.472 55.763 56.287 -0.088 0.000 0.801 1287 K CB 1.599 34.071 32.500 -0.047 0.000 1.137 1287 K HN 0.507 nan 8.250 nan 0.000 0.424 1288 I N 4.391 124.839 120.570 -0.204 0.000 2.436 1288 I HA 0.268 4.439 4.170 0.000 0.000 0.289 1288 I C -0.766 175.283 176.117 -0.113 0.000 1.010 1288 I CA -1.192 59.959 61.300 -0.248 0.000 1.098 1288 I CB 2.049 39.683 38.000 -0.610 0.000 1.266 1288 I HN 0.257 nan 8.210 nan 0.000 0.434 1289 V N 4.603 124.508 119.914 -0.016 0.000 2.394 1289 V HA 0.401 4.522 4.120 0.000 0.000 0.282 1289 V C 0.139 176.302 176.094 0.115 0.000 1.031 1289 V CA -0.365 61.978 62.300 0.071 0.000 0.881 1289 V CB 1.511 33.391 31.823 0.094 0.000 0.982 1289 V HN 0.764 nan 8.190 nan 0.000 0.451 1290 S N 6.436 122.231 115.700 0.158 0.000 2.383 1290 S HA 0.487 4.957 4.470 0.000 0.000 0.196 1290 S C -2.809 171.864 174.600 0.123 0.000 1.364 1290 S CA -1.129 57.178 58.200 0.178 0.000 1.212 1290 S CB 1.025 64.394 63.200 0.281 0.000 1.171 1290 S HN 0.550 nan 8.310 nan 0.000 0.456 1291 P HA 0.377 nan 4.420 nan 0.000 0.276 1291 P C -0.852 176.330 177.300 -0.197 0.000 1.230 1291 P CA -0.100 62.881 63.100 -0.198 0.000 0.776 1291 P CB 0.555 32.082 31.700 -0.287 0.000 0.888 1292 M N 2.059 121.502 119.600 -0.263 0.000 2.263 1292 M HA 0.315 4.795 4.480 0.000 0.000 0.295 1292 M C -0.885 175.273 176.300 -0.237 0.000 1.028 1292 M CA -1.022 54.160 55.300 -0.196 0.000 0.921 1292 M CB 2.325 34.889 32.600 -0.060 0.000 1.601 1292 M HN -0.062 nan 8.290 nan 0.000 0.440 1293 V N 3.373 123.173 119.914 -0.190 0.000 2.546 1293 V HA 0.245 4.365 4.120 0.000 0.000 0.284 1293 V C 0.290 176.296 176.094 -0.147 0.000 1.050 1293 V CA -0.836 61.367 62.300 -0.162 0.000 0.981 1293 V CB 1.420 33.171 31.823 -0.120 0.000 0.990 1293 V HN 0.619 nan 8.190 nan 0.000 0.474 1294 V N 5.213 125.043 119.914 -0.139 0.000 2.521 1294 V HA 0.090 4.210 4.120 0.000 0.000 0.286 1294 V C 0.713 176.751 176.094 -0.093 0.000 1.034 1294 V CA -0.477 61.734 62.300 -0.149 0.000 1.045 1294 V CB 0.285 32.055 31.823 -0.089 0.000 0.974 1294 V HN 0.816 nan 8.190 nan 0.000 0.480 1295 K N 3.961 124.305 120.400 -0.093 0.000 2.489 1295 K HA -0.004 4.316 4.320 0.000 0.000 0.278 1295 K C 1.314 177.887 176.600 -0.046 0.000 1.000 1295 K CA -0.021 56.230 56.287 -0.061 0.000 1.012 1295 K CB 0.583 33.054 32.500 -0.049 0.000 0.903 1295 K HN 0.607 nan 8.250 nan 0.000 0.485 1296 K N 2.821 123.184 120.400 -0.062 0.000 2.127 1296 K HA -0.326 3.994 4.320 0.000 0.000 0.208 1296 K C 1.926 178.493 176.600 -0.056 0.000 1.047 1296 K CA 1.867 58.102 56.287 -0.088 0.000 0.927 1296 K CB 0.070 32.485 32.500 -0.141 0.000 0.716 1296 K HN 0.609 nan 8.250 nan 0.000 0.450 1297 Q N -0.343 119.433 119.800 -0.041 0.000 2.226 1297 Q HA -0.159 4.181 4.340 0.000 0.000 0.204 1297 Q C 1.812 177.823 176.000 0.018 0.000 0.975 1297 Q CA 1.211 57.004 55.803 -0.017 0.000 0.866 1297 Q CB 0.065 28.793 28.738 -0.017 0.000 0.915 1297 Q HN 0.355 nan 8.270 nan 0.000 0.440 1298 M N -0.670 118.944 119.600 0.023 0.000 2.296 1298 M HA -0.036 4.444 4.480 0.000 0.000 0.265 1298 M C 2.065 178.418 176.300 0.088 0.000 1.064 1298 M CA 1.294 56.626 55.300 0.052 0.000 1.109 1298 M CB -0.948 31.679 32.600 0.045 0.000 1.396 1298 M HN 0.344 nan 8.290 nan 0.000 0.430 1299 G N -0.282 108.591 108.800 0.121 0.000 2.534 1299 G HA2 -0.148 3.812 3.960 0.000 0.000 0.217 1299 G HA3 -0.148 3.812 3.960 0.000 0.000 0.217 1299 G C 1.529 176.579 174.900 0.251 0.000 1.128 1299 G CA 0.190 45.431 45.100 0.236 0.000 0.784 1299 G HN 0.465 nan 8.290 nan 0.000 0.542 1300 Q N 0.139 120.037 119.800 0.163 0.000 2.250 1300 Q HA -0.043 4.298 4.340 0.000 0.000 0.200 1300 Q C 2.688 178.733 176.000 0.076 0.000 0.941 1300 Q CA 1.643 57.521 55.803 0.126 0.000 0.872 1300 Q CB -0.142 28.635 28.738 0.065 0.000 0.965 1300 Q HN 0.639 nan 8.270 nan 0.000 0.480 1301 T N -2.839 111.753 114.554 0.064 0.000 3.039 1301 T HA 0.358 4.708 4.350 0.000 0.000 0.250 1301 T C 1.029 175.759 174.700 0.049 0.000 1.052 1301 T CA 0.590 62.719 62.100 0.048 0.000 1.125 1301 T CB 0.365 69.259 68.868 0.042 0.000 0.908 1301 T HN 0.411 nan 8.240 nan 0.000 0.473 1302 G N -0.061 108.776 108.800 0.060 0.000 2.829 1302 G HA2 0.403 4.363 3.960 0.000 0.000 0.628 1302 G HA3 0.403 4.363 3.960 0.000 0.000 0.628 1302 G C 0.035 174.979 174.900 0.073 0.000 1.412 1302 G CA -0.576 44.561 45.100 0.061 0.000 0.864 1302 G HN 1.971 nan 8.290 nan 0.000 0.544 1303 G N -1.604 107.246 108.800 0.082 0.000 2.347 1303 G HA2 0.596 4.557 3.960 0.000 0.000 0.321 1303 G HA3 0.596 4.557 3.960 0.000 0.000 0.321 1303 G C -0.437 174.532 174.900 0.115 0.000 1.412 1303 G CA 0.518 45.672 45.100 0.090 0.000 0.990 1303 G HN 1.885 nan 8.290 nan 0.000 0.637 1304 S N -0.614 115.142 115.700 0.093 0.000 2.654 1304 S HA 0.879 5.349 4.470 0.000 0.000 0.283 1304 S C -0.633 174.072 174.600 0.175 0.000 1.180 1304 S CA -0.218 58.019 58.200 0.061 0.000 1.021 1304 S CB 1.072 64.278 63.200 0.010 0.000 1.018 1304 S HN 1.225 nan 8.310 nan 0.000 0.532 1305 Y N -0.897 119.440 120.300 0.061 0.000 2.588 1305 Y HA 0.762 5.312 4.550 0.001 0.000 0.343 1305 Y C -0.969 174.979 175.900 0.081 0.000 1.065 1305 Y CA -1.231 56.913 58.100 0.074 0.000 1.038 1305 Y CB 1.188 39.707 38.460 0.098 0.000 1.297 1305 Y HN 0.708 nan 8.280 nan 0.000 0.467 1306 E N 1.501 121.824 120.200 0.206 0.000 2.291 1306 E HA 0.393 4.743 4.350 0.000 0.000 0.276 1306 E C -2.076 174.597 176.600 0.121 0.000 0.896 1306 E CA -0.964 55.498 56.400 0.103 0.000 0.774 1306 E CB 2.084 31.804 29.700 0.032 0.000 1.227 1306 E HN 0.685 nan 8.360 nan 0.000 0.413 1307 N N 2.599 121.338 118.700 0.065 0.000 2.466 1307 N HA 0.307 5.047 4.740 0.000 0.000 0.294 1307 N C -1.349 174.093 175.510 -0.113 0.000 1.129 1307 N CA -0.314 52.705 53.050 -0.052 0.000 0.931 1307 N CB 1.839 40.113 38.487 -0.355 0.000 1.193 1307 N HN 0.631 nan 8.380 nan 0.000 0.500 1308 Q N 1.204 120.944 119.800 -0.101 0.000 2.353 1308 Q HA 0.698 5.039 4.340 0.000 0.000 0.275 1308 Q C -1.979 173.922 176.000 -0.165 0.000 1.029 1308 Q CA -0.950 54.756 55.803 -0.163 0.000 0.848 1308 Q CB 1.634 30.262 28.738 -0.183 0.000 1.390 1308 Q HN 0.739 nan 8.270 nan 0.000 0.401 1309 A N 2.199 124.854 122.820 -0.275 0.000 2.346 1309 A HA 0.899 5.219 4.320 0.000 0.000 0.313 1309 A C -1.838 175.385 177.584 -0.601 0.000 1.140 1309 A CA -0.388 51.499 52.037 -0.250 0.000 0.826 1309 A CB 1.030 19.989 19.000 -0.067 0.000 1.332 1309 A HN 0.667 nan 8.150 nan 0.000 0.457 1310 Y N -0.645 119.380 120.300 -0.459 0.000 2.562 1310 Y HA 0.489 5.039 4.550 0.000 0.000 0.345 1310 Y C -0.020 175.379 175.900 -0.836 0.000 1.045 1310 Y CA -0.702 57.132 58.100 -0.444 0.000 1.028 1310 Y CB 2.150 40.443 38.460 -0.278 0.000 1.297 1310 Y HN 0.813 nan 8.280 nan 0.000 0.463 1311 Q N 2.445 122.021 119.800 -0.373 0.000 2.345 1311 Q HA 0.829 5.169 4.340 0.000 0.000 0.268 1311 Q C -1.670 174.376 176.000 0.076 0.000 1.054 1311 Q CA -0.883 54.693 55.803 -0.378 0.000 0.835 1311 Q CB 2.667 31.245 28.738 -0.266 0.000 1.339 1311 Q HN 0.735 nan 8.270 nan 0.000 0.447 1312 I N 2.583 123.243 120.570 0.151 0.000 2.476 1312 I HA 0.338 4.508 4.170 0.000 0.000 0.281 1312 I C -1.344 175.016 176.117 0.404 0.000 1.040 1312 I CA -0.791 60.661 61.300 0.254 0.000 1.094 1312 I CB 1.618 39.696 38.000 0.131 0.000 1.219 1312 I HN 0.579 nan 8.210 nan 0.000 0.450 1313 D N 6.972 127.651 120.400 0.465 0.000 2.391 1313 D HA 0.384 5.025 4.640 0.000 0.000 0.245 1313 D C 0.160 176.548 176.300 0.147 0.000 1.069 1313 D CA -0.450 53.747 54.000 0.328 0.000 0.831 1313 D CB 1.793 42.881 40.800 0.480 0.000 1.204 1313 D HN 0.438 nan 8.370 nan 0.000 0.503 1314 F N 1.398 121.303 119.950 -0.074 0.000 3.069 1314 F HA -0.226 4.301 4.527 0.000 0.000 0.285 1314 F C 1.545 177.321 175.800 -0.039 0.000 0.827 1314 F CA 0.861 58.795 58.000 -0.109 0.000 1.108 1314 F CB -2.027 36.976 39.000 0.006 0.000 1.252 1314 F HN 0.764 nan 8.300 nan 0.000 0.483 1315 G N -1.202 107.647 108.800 0.082 0.000 2.195 1315 G HA2 -0.313 3.647 3.960 0.000 0.000 0.246 1315 G HA3 -0.313 3.647 3.960 0.000 0.000 0.246 1315 G C 0.067 174.999 174.900 0.053 0.000 0.984 1315 G CA 0.029 45.160 45.100 0.052 0.000 0.633 1315 G HN 0.507 nan 8.290 nan 0.000 0.525 1316 N N 1.395 120.174 118.700 0.132 0.000 2.434 1316 N HA 0.526 5.267 4.740 0.000 0.000 0.272 1316 N C 0.470 175.945 175.510 -0.058 0.000 1.040 1316 N CA 0.600 53.672 53.050 0.036 0.000 0.956 1316 N CB 1.539 40.113 38.487 0.144 0.000 1.108 1316 N HN 0.492 nan 8.380 nan 0.000 0.481 1317 G N 1.126 109.788 108.800 -0.231 0.000 2.367 1317 G HA2 0.525 4.485 3.960 0.000 0.000 0.314 1317 G HA3 0.525 4.485 3.960 0.000 0.000 0.314 1317 G C -1.276 173.379 174.900 -0.408 0.000 1.130 1317 G CA -0.249 44.740 45.100 -0.185 0.000 0.864 1317 G HN 0.430 nan 8.290 nan 0.000 0.486 1318 Y N 0.102 120.470 120.300 0.113 0.000 2.406 1318 Y HA 0.586 5.137 4.550 0.000 0.000 0.340 1318 Y C 0.372 176.285 175.900 0.023 0.000 0.975 1318 Y CA -0.808 57.338 58.100 0.077 0.000 1.056 1318 Y CB 2.438 40.952 38.460 0.090 0.000 1.210 1318 Y HN 0.778 nan 8.280 nan 0.000 0.448 1319 A N 1.910 124.781 122.820 0.085 0.000 2.305 1319 A HA 0.698 5.018 4.320 0.000 0.000 0.322 1319 A C 0.102 177.558 177.584 -0.213 0.000 1.187 1319 A CA -0.519 51.402 52.037 -0.193 0.000 0.825 1319 A CB 0.511 19.395 19.000 -0.195 0.000 1.164 1319 A HN 0.775 nan 8.150 nan 0.000 0.498 1320 S N 2.509 118.013 115.700 -0.326 0.000 2.661 1320 S HA 0.284 4.754 4.470 0.000 0.000 0.265 1320 S C 0.374 174.864 174.600 -0.183 0.000 1.225 1320 S CA -0.543 57.539 58.200 -0.196 0.000 0.986 1320 S CB 0.193 63.292 63.200 -0.168 0.000 1.008 1320 S HN 0.917 nan 8.310 nan 0.000 0.565 1321 N N 0.021 118.652 118.700 -0.116 0.000 2.371 1321 N HA 0.134 4.875 4.740 0.000 0.000 0.243 1321 N C -0.679 174.769 175.510 -0.102 0.000 1.287 1321 N CA -0.257 52.737 53.050 -0.094 0.000 0.911 1321 N CB -0.005 38.448 38.487 -0.056 0.000 1.142 1321 N HN 0.699 nan 8.380 nan 0.000 0.451 1322 I N 0.749 121.271 120.570 -0.080 0.000 2.321 1322 I HA 0.152 4.322 4.170 0.000 0.000 0.291 1322 I C -0.368 175.724 176.117 -0.041 0.000 0.998 1322 I CA -1.035 60.221 61.300 -0.072 0.000 1.227 1322 I CB 1.647 39.611 38.000 -0.059 0.000 1.368 1322 I HN 0.179 nan 8.210 nan 0.000 0.466 1323 V N 7.827 127.722 119.914 -0.032 0.000 2.407 1323 V HA 0.428 4.548 4.120 0.000 0.000 0.278 1323 V C 0.176 176.276 176.094 0.009 0.000 1.037 1323 V CA -0.367 61.939 62.300 0.010 0.000 0.900 1323 V CB 1.508 33.373 31.823 0.070 0.000 0.983 1323 V HN 0.464 nan 8.190 nan 0.000 0.459 1324 I N 4.890 125.446 120.570 -0.023 0.000 2.474 1324 I HA 0.532 4.702 4.170 0.000 0.000 0.294 1324 I C -0.268 175.750 176.117 -0.165 0.000 1.005 1324 I CA -0.426 60.821 61.300 -0.089 0.000 1.113 1324 I CB 2.008 39.968 38.000 -0.067 0.000 1.289 1324 I HN 0.627 nan 8.210 nan 0.000 0.436 1325 N N 3.748 122.212 118.700 -0.393 0.000 2.571 1325 N HA 0.474 5.214 4.740 0.000 0.000 0.273 1325 N C -1.549 173.688 175.510 -0.454 0.000 1.340 1325 N CA -0.967 51.818 53.050 -0.441 0.000 0.789 1325 N CB 1.734 39.886 38.487 -0.558 0.000 1.514 1325 N HN 0.671 nan 8.380 nan 0.000 0.499 1326 N N -0.586 117.990 118.700 -0.207 0.000 2.321 1326 N HA 0.512 5.253 4.740 0.000 0.000 0.290 1326 N C -1.797 173.753 175.510 0.066 0.000 1.212 1326 N CA -0.492 52.522 53.050 -0.059 0.000 0.767 1326 N CB 1.695 40.169 38.487 -0.021 0.000 1.494 1326 N HN 0.178 nan 8.380 nan 0.000 0.479 1327 V N 1.104 121.095 119.914 0.128 0.000 2.448 1327 V HA 0.459 4.579 4.120 0.000 0.000 0.295 1327 V C -2.314 173.828 176.094 0.081 0.000 1.025 1327 V CA -1.598 60.788 62.300 0.142 0.000 0.859 1327 V CB 1.607 33.543 31.823 0.189 0.000 0.988 1327 V HN 0.655 nan 8.190 nan 0.000 0.431 1328 P HA 0.184 nan 4.420 nan 0.000 0.276 1328 P C -0.649 176.650 177.300 -0.001 0.000 1.243 1328 P CA -0.493 62.616 63.100 0.015 0.000 0.768 1328 P CB 0.487 32.179 31.700 -0.013 0.000 0.856 1329 K N 4.486 124.885 120.400 -0.002 0.000 2.363 1329 K HA 0.138 4.459 4.320 0.000 0.000 0.289 1329 K C -0.327 176.219 176.600 -0.089 0.000 1.063 1329 K CA -0.357 55.922 56.287 -0.012 0.000 0.967 1329 K CB -0.081 32.423 32.500 0.007 0.000 0.987 1329 K HN 0.308 nan 8.250 nan 0.000 0.473 1330 I N 4.322 124.771 120.570 -0.202 0.000 2.312 1330 I HA 0.078 4.248 4.170 0.000 0.000 0.291 1330 I C -0.064 175.888 176.117 -0.274 0.000 1.031 1330 I CA -0.385 60.653 61.300 -0.438 0.000 1.293 1330 I CB 0.421 37.659 38.000 -1.270 0.000 1.403 1330 I HN 0.588 nan 8.210 nan 0.000 0.484 1331 N N 8.572 127.178 118.700 -0.156 0.000 2.804 1331 N HA 0.412 5.152 4.740 0.000 0.000 0.251 1331 N C -2.800 172.693 175.510 -0.030 0.000 1.250 1331 N CA -1.679 51.335 53.050 -0.060 0.000 0.820 1331 N CB 1.115 39.591 38.487 -0.019 0.000 1.156 1331 N HN 0.163 nan 8.380 nan 0.000 0.512 1332 P HA 0.187 nan 4.420 nan 0.000 0.271 1332 P C -0.727 176.629 177.300 0.093 0.000 1.216 1332 P CA 0.181 63.291 63.100 0.017 0.000 0.776 1332 P CB 0.841 32.431 31.700 -0.185 0.000 0.881 1333 K N 1.838 122.370 120.400 0.220 0.000 2.375 1333 K HA 0.517 4.837 4.320 0.000 0.000 0.249 1333 K C -0.571 176.192 176.600 0.272 0.000 0.942 1333 K CA -0.968 55.436 56.287 0.194 0.000 0.806 1333 K CB 2.463 35.038 32.500 0.125 0.000 1.227 1333 K HN 0.255 nan 8.250 nan 0.000 0.430 1334 K N 2.364 122.879 120.400 0.193 0.000 2.535 1334 K HA 0.247 4.568 4.320 0.000 0.000 0.253 1334 K C -1.438 175.226 176.600 0.106 0.000 0.953 1334 K CA -0.425 55.956 56.287 0.156 0.000 0.863 1334 K CB 0.969 33.575 32.500 0.177 0.000 1.111 1334 K HN 0.409 nan 8.250 nan 0.000 0.431 1335 D N 1.568 122.025 120.400 0.093 0.000 2.449 1335 D HA 0.456 5.096 4.640 0.000 0.000 0.250 1335 D C -0.873 175.556 176.300 0.215 0.000 1.050 1335 D CA -0.511 53.561 54.000 0.119 0.000 1.024 1335 D CB 1.883 42.730 40.800 0.078 0.000 1.218 1335 D HN 0.203 nan 8.370 nan 0.000 0.566 1336 V N 0.024 120.070 119.914 0.221 0.000 2.588 1336 V HA 0.731 4.851 4.120 0.000 0.000 0.304 1336 V C 0.088 176.298 176.094 0.194 0.000 1.042 1336 V CA -0.708 61.760 62.300 0.279 0.000 0.877 1336 V CB 1.462 33.451 31.823 0.277 0.000 0.996 1336 V HN 0.825 nan 8.190 nan 0.000 0.425 1337 T N 1.226 115.914 114.554 0.223 0.000 2.841 1337 T HA 0.716 5.066 4.350 0.000 0.000 0.296 1337 T C -0.207 174.606 174.700 0.187 0.000 1.166 1337 T CA -0.698 61.517 62.100 0.191 0.000 1.007 1337 T CB 1.848 70.860 68.868 0.241 0.000 1.253 1337 T HN 0.298 nan 8.240 nan 0.000 0.511 1338 L N 0.374 121.671 121.223 0.124 0.000 2.857 1338 L HA 0.386 4.726 4.340 0.000 0.000 0.249 1338 L C -0.037 176.859 176.870 0.044 0.000 1.172 1338 L CA -0.435 54.462 54.840 0.095 0.000 0.980 1338 L CB 0.437 42.533 42.059 0.062 0.000 1.299 1338 L HN 0.822 nan 8.230 nan 0.000 0.535 1339 T N 0.291 114.862 114.554 0.030 0.000 3.186 1339 T HA 0.355 4.706 4.350 0.000 0.000 0.320 1339 T C -0.227 174.368 174.700 -0.175 0.000 0.955 1339 T CA -0.428 61.640 62.100 -0.053 0.000 1.030 1339 T CB 1.412 70.256 68.868 -0.041 0.000 1.013 1339 T HN -0.071 nan 8.240 nan 0.000 0.454 1340 L N 3.547 124.597 121.223 -0.288 0.000 2.774 1340 L HA 0.274 4.614 4.340 0.000 0.000 0.279 1340 L C 0.132 176.668 176.870 -0.557 0.000 1.137 1340 L CA 0.444 54.883 54.840 -0.669 0.000 1.021 1340 L CB -0.360 41.475 42.059 -0.374 0.000 1.366 1340 L HN 0.661 nan 8.230 nan 0.000 0.471 1341 D N 4.194 124.217 120.400 -0.627 0.000 2.362 1341 D HA 0.209 4.849 4.640 0.000 0.000 0.232 1341 D C -1.929 174.181 176.300 -0.317 0.000 1.329 1341 D CA -1.239 52.524 54.000 -0.395 0.000 0.944 1341 D CB 1.612 42.290 40.800 -0.203 0.000 1.471 1341 D HN -0.037 nan 8.370 nan 0.000 0.533 1342 P HA -0.104 nan 4.420 nan 0.000 0.216 1342 P C 1.101 178.325 177.300 -0.126 0.000 1.153 1342 P CA 1.418 64.338 63.100 -0.300 0.000 0.858 1342 P CB 0.261 31.641 31.700 -0.534 0.000 0.789 1343 A N -1.240 121.497 122.820 -0.138 0.000 2.239 1343 A HA -0.058 4.262 4.320 0.000 0.000 0.209 1343 A C 0.924 178.484 177.584 -0.041 0.000 1.171 1343 A CA 0.445 52.439 52.037 -0.072 0.000 0.768 1343 A CB -1.025 17.933 19.000 -0.070 0.000 0.790 1343 A HN 0.086 nan 8.150 nan 0.000 0.478 1344 D N -0.723 119.655 120.400 -0.037 0.000 2.313 1344 D HA 0.301 4.941 4.640 0.000 0.000 0.239 1344 D C 0.859 177.172 176.300 0.022 0.000 1.142 1344 D CA 0.133 54.127 54.000 -0.010 0.000 0.847 1344 D CB 1.147 41.937 40.800 -0.016 0.000 1.082 1344 D HN 0.030 nan 8.370 nan 0.000 0.480 1345 T N 2.365 116.931 114.554 0.019 0.000 3.072 1345 T HA -0.054 4.296 4.350 0.000 0.000 0.266 1345 T C 0.954 175.678 174.700 0.039 0.000 1.127 1345 T CA -0.019 62.098 62.100 0.029 0.000 1.107 1345 T CB -0.201 68.680 68.868 0.020 0.000 0.910 1345 T HN 0.315 nan 8.240 nan 0.000 0.513 1346 N N 3.158 121.883 118.700 0.041 0.000 2.441 1346 N HA 0.079 4.819 4.740 0.000 0.000 0.251 1346 N C -0.492 175.056 175.510 0.063 0.000 1.242 1346 N CA 0.455 53.532 53.050 0.046 0.000 0.898 1346 N CB 0.268 38.779 38.487 0.040 0.000 1.100 1346 N HN 0.166 nan 8.380 nan 0.000 0.443 1347 N N 1.191 119.926 118.700 0.059 0.000 2.478 1347 N HA 0.158 4.898 4.740 0.000 0.000 0.291 1347 N C -0.697 174.850 175.510 0.063 0.000 1.090 1347 N CA -0.576 52.517 53.050 0.072 0.000 0.911 1347 N CB 1.064 39.592 38.487 0.069 0.000 1.546 1347 N HN 0.167 nan 8.380 nan 0.000 0.500 1348 V N -0.291 119.665 119.914 0.071 0.000 3.099 1348 V HA 0.391 4.511 4.120 0.000 0.000 0.356 1348 V C 0.435 176.564 176.094 0.058 0.000 1.364 1348 V CA -0.626 61.704 62.300 0.050 0.000 1.229 1348 V CB -0.440 31.399 31.823 0.027 0.000 1.227 1348 V HN 0.536 nan 8.190 nan 0.000 0.493 1349 D N 1.969 122.416 120.400 0.080 0.000 2.493 1349 D HA 0.354 4.994 4.640 0.000 0.000 0.240 1349 D C 1.494 177.829 176.300 0.058 0.000 1.142 1349 D CA 2.023 56.075 54.000 0.086 0.000 0.872 1349 D CB 0.982 41.835 40.800 0.089 0.000 1.173 1349 D HN 0.701 nan 8.370 nan 0.000 0.467 1350 G N 2.874 111.707 108.800 0.056 0.000 2.179 1350 G HA2 -0.285 3.676 3.960 0.000 0.000 0.260 1350 G HA3 -0.285 3.676 3.960 0.000 0.000 0.260 1350 G C 0.567 175.483 174.900 0.027 0.000 0.977 1350 G CA 0.636 45.759 45.100 0.039 0.000 0.641 1350 G HN 0.588 nan 8.290 nan 0.000 0.533 1351 Q N -0.816 118.998 119.800 0.023 0.000 2.448 1351 Q HA 0.689 5.029 4.340 0.000 0.000 0.192 1351 Q C -0.255 175.744 176.000 -0.001 0.000 1.001 1351 Q CA -0.277 55.531 55.803 0.009 0.000 1.018 1351 Q CB 1.076 29.817 28.738 0.006 0.000 1.290 1351 Q HN 0.174 nan 8.270 nan 0.000 0.517 1352 T N 0.796 115.342 114.554 -0.012 0.000 2.829 1352 T HA 0.536 4.886 4.350 0.000 0.000 0.280 1352 T C -0.796 173.875 174.700 -0.048 0.000 0.999 1352 T CA -0.442 61.646 62.100 -0.020 0.000 0.983 1352 T CB 0.491 69.354 68.868 -0.008 0.000 0.968 1352 T HN 0.276 nan 8.240 nan 0.000 0.446 1353 I N 5.134 125.663 120.570 -0.069 0.000 2.405 1353 I HA 0.280 4.450 4.170 0.000 0.000 0.280 1353 I C -2.155 173.922 176.117 -0.067 0.000 1.027 1353 I CA -2.294 58.932 61.300 -0.123 0.000 1.161 1353 I CB 1.644 39.471 38.000 -0.289 0.000 1.300 1353 I HN 0.350 nan 8.210 nan 0.000 0.463 1354 P HA -0.010 nan 4.420 nan 0.000 0.261 1354 P C -0.021 177.277 177.300 -0.005 0.000 1.183 1354 P CA -0.057 63.035 63.100 -0.013 0.000 0.761 1354 P CB 0.494 32.189 31.700 -0.008 0.000 0.785 1355 L N 4.217 125.448 121.223 0.013 0.000 2.559 1355 L HA -0.126 4.214 4.340 0.000 0.000 0.282 1355 L C 0.730 177.616 176.870 0.027 0.000 1.232 1355 L CA 0.715 55.571 54.840 0.026 0.000 0.885 1355 L CB -0.440 41.641 42.059 0.036 0.000 1.131 1355 L HN 0.630 nan 8.230 nan 0.000 0.498 1356 N N 0.607 119.330 118.700 0.039 0.000 2.948 1356 N HA -0.174 4.566 4.740 0.000 0.000 0.239 1356 N C -0.505 175.039 175.510 0.056 0.000 0.954 1356 N CA 0.819 53.896 53.050 0.045 0.000 0.941 1356 N CB -0.905 37.599 38.487 0.028 0.000 1.101 1356 N HN 0.664 nan 8.380 nan 0.000 0.579 1357 T N 0.823 115.413 114.554 0.059 0.000 2.888 1357 T HA 0.282 4.633 4.350 0.000 0.000 0.301 1357 T C 0.141 174.947 174.700 0.176 0.000 1.001 1357 T CA -0.080 62.067 62.100 0.078 0.000 1.147 1357 T CB 1.699 70.587 68.868 0.033 0.000 0.931 1357 T HN 0.107 nan 8.240 nan 0.000 0.541 1358 V N 6.637 126.635 119.914 0.141 0.000 2.407 1358 V HA 0.796 4.916 4.120 0.000 0.000 0.278 1358 V C -0.727 175.474 176.094 0.178 0.000 1.037 1358 V CA -0.497 61.882 62.300 0.131 0.000 0.900 1358 V CB -0.244 31.593 31.823 0.023 0.000 0.983 1358 V HN 0.769 nan 8.190 nan 0.000 0.459 1359 F N 4.932 124.831 119.950 -0.085 0.000 2.754 1359 F HA 0.692 5.219 4.527 0.000 0.000 0.320 1359 F C -0.894 174.835 175.800 -0.120 0.000 1.156 1359 F CA -1.254 56.688 58.000 -0.096 0.000 0.950 1359 F CB 1.595 40.521 39.000 -0.124 0.000 1.388 1359 F HN 0.354 nan 8.300 nan 0.000 0.485 1360 N N 0.047 118.676 118.700 -0.118 0.000 2.269 1360 N HA 0.271 5.012 4.740 0.000 0.000 0.304 1360 N C -2.094 173.375 175.510 -0.069 0.000 1.072 1360 N CA -0.514 52.440 53.050 -0.160 0.000 0.802 1360 N CB 2.053 40.655 38.487 0.193 0.000 1.348 1360 N HN 0.495 nan 8.380 nan 0.000 0.484 1361 Y N 0.790 121.060 120.300 -0.049 0.000 2.327 1361 Y HA 0.219 4.770 4.550 0.000 0.000 0.336 1361 Y C 0.966 176.779 175.900 -0.146 0.000 1.035 1361 Y CA -0.483 57.606 58.100 -0.019 0.000 1.165 1361 Y CB 0.705 39.127 38.460 -0.064 0.000 1.181 1361 Y HN 0.228 nan 8.280 nan 0.000 0.494 1362 R N 5.290 125.788 120.500 -0.003 0.000 2.235 1362 R HA 0.369 4.709 4.340 0.000 0.000 0.338 1362 R C -1.364 174.775 176.300 -0.268 0.000 1.087 1362 R CA -0.312 55.574 56.100 -0.357 0.000 0.948 1362 R CB -0.158 29.936 30.300 -0.343 0.000 1.099 1362 R HN 0.710 nan 8.270 nan 0.000 0.483 1363 L N 7.273 128.251 121.223 -0.407 0.000 2.328 1363 L HA 0.338 4.679 4.340 0.000 0.000 0.280 1363 L C 0.101 176.859 176.870 -0.187 0.000 1.111 1363 L CA -0.387 54.133 54.840 -0.532 0.000 0.909 1363 L CB 0.525 41.998 42.059 -0.976 0.000 1.277 1363 L HN 0.511 nan 8.230 nan 0.000 0.433 1364 I N 2.576 123.189 120.570 0.071 0.000 2.379 1364 I HA 0.151 4.321 4.170 0.000 0.000 0.290 1364 I C 1.301 177.683 176.117 0.442 0.000 1.063 1364 I CA 0.026 61.465 61.300 0.231 0.000 1.351 1364 I CB 0.944 39.032 38.000 0.147 0.000 1.410 1364 I HN 0.541 nan 8.210 nan 0.000 0.505 1365 G N 4.427 113.559 108.800 0.554 0.000 2.606 1365 G HA2 0.402 4.362 3.960 0.000 0.000 0.252 1365 G HA3 0.402 4.362 3.960 0.000 0.000 0.252 1365 G C 0.332 175.379 174.900 0.244 0.000 1.206 1365 G CA -0.392 44.974 45.100 0.443 0.000 0.861 1365 G HN 0.758 nan 8.290 nan 0.000 0.561 1366 G N -1.145 107.689 108.800 0.056 0.000 2.503 1366 G HA2 0.433 4.393 3.960 0.000 0.000 0.257 1366 G HA3 0.433 4.393 3.960 0.000 0.000 0.257 1366 G C -0.083 174.867 174.900 0.084 0.000 1.214 1366 G CA -0.704 44.382 45.100 -0.023 0.000 0.839 1366 G HN 0.603 nan 8.290 nan 0.000 0.559 1367 I N 1.058 121.645 120.570 0.029 0.000 2.396 1367 I HA 0.162 4.332 4.170 0.000 0.000 0.289 1367 I C 0.132 176.264 176.117 0.025 0.000 1.056 1367 I CA 0.023 61.352 61.300 0.048 0.000 1.365 1367 I CB 1.046 39.062 38.000 0.027 0.000 1.407 1367 I HN 0.171 nan 8.210 nan 0.000 0.509 1368 I N 9.141 129.749 120.570 0.063 0.000 2.306 1368 I HA 0.277 4.447 4.170 0.000 0.000 0.288 1368 I C -2.166 173.970 176.117 0.031 0.000 1.036 1368 I CA -1.895 59.398 61.300 -0.012 0.000 1.221 1368 I CB 0.792 38.748 38.000 -0.074 0.000 1.385 1368 I HN 0.223 nan 8.210 nan 0.000 0.472 1369 P HA 0.038 nan 4.420 nan 0.000 0.270 1369 P C -0.122 177.295 177.300 0.196 0.000 1.223 1369 P CA -0.153 63.005 63.100 0.095 0.000 0.785 1369 P CB 0.617 32.359 31.700 0.071 0.000 0.923 1370 A N 2.317 125.218 122.820 0.134 0.000 2.429 1370 A HA 0.161 4.482 4.320 0.000 0.000 0.242 1370 A C 0.831 178.457 177.584 0.069 0.000 1.088 1370 A CA 0.379 52.479 52.037 0.105 0.000 0.784 1370 A CB -0.983 18.044 19.000 0.045 0.000 1.038 1370 A HN 0.712 nan 8.150 nan 0.000 0.501 1371 N N -0.495 118.181 118.700 -0.039 0.000 2.738 1371 N HA -0.158 4.583 4.740 0.000 0.000 0.249 1371 N C -0.062 175.430 175.510 -0.029 0.000 1.047 1371 N CA 1.345 54.356 53.050 -0.066 0.000 0.707 1371 N CB -1.603 36.873 38.487 -0.019 0.000 0.937 1371 N HN 0.983 nan 8.380 nan 0.000 0.545 1372 H N -2.359 116.708 119.070 -0.005 0.000 2.517 1372 H HA 0.565 5.121 4.556 0.000 0.000 0.346 1372 H C 1.112 176.439 175.328 -0.003 0.000 1.222 1372 H CA -0.064 55.983 56.048 -0.003 0.000 1.314 1372 H CB 0.992 30.749 29.762 -0.009 0.000 1.609 1372 H HN 0.176 nan 8.280 nan 0.000 0.571 1373 S N -0.461 115.326 115.700 0.145 0.000 2.524 1373 S HA 0.103 4.573 4.470 0.000 0.000 0.216 1373 S C 0.342 174.996 174.600 0.091 0.000 0.987 1373 S CA -0.055 58.189 58.200 0.074 0.000 0.909 1373 S CB 0.132 63.380 63.200 0.081 0.000 0.781 1373 S HN 0.697 nan 8.310 nan 0.000 0.521 1374 E N 0.392 120.698 120.200 0.176 0.000 2.429 1374 E HA 0.325 4.675 4.350 0.000 0.000 0.276 1374 E C -1.303 175.393 176.600 0.159 0.000 0.953 1374 E CA -0.793 55.691 56.400 0.140 0.000 0.787 1374 E CB 1.349 31.125 29.700 0.128 0.000 1.307 1374 E HN 0.210 nan 8.360 nan 0.000 0.458 1375 E N 1.428 121.688 120.200 0.099 0.000 2.452 1375 E HA 0.003 4.353 4.350 0.000 0.000 0.261 1375 E C -0.281 176.317 176.600 -0.003 0.000 0.987 1375 E CA 0.339 56.777 56.400 0.062 0.000 0.926 1375 E CB 0.452 30.202 29.700 0.084 0.000 0.934 1375 E HN 0.372 nan 8.360 nan 0.000 0.452 1376 L N 4.050 125.199 121.223 -0.123 0.000 2.360 1376 L HA 0.039 4.380 4.340 0.000 0.000 0.276 1376 L C 0.822 177.596 176.870 -0.160 0.000 1.121 1376 L CA -0.079 54.586 54.840 -0.292 0.000 0.845 1376 L CB 0.006 41.774 42.059 -0.484 0.000 1.143 1376 L HN 0.615 nan 8.230 nan 0.000 0.452 1377 F N 0.277 120.184 119.950 -0.072 0.000 2.784 1377 F HA 0.432 4.959 4.527 0.000 0.000 0.323 1377 F C 0.308 176.122 175.800 0.023 0.000 1.085 1377 F CA -0.621 57.364 58.000 -0.025 0.000 1.196 1377 F CB 0.243 39.239 39.000 -0.007 0.000 1.053 1377 F HN 0.357 nan 8.300 nan 0.000 0.578 1378 E N -0.015 120.103 120.200 -0.137 0.000 2.304 1378 E HA 0.360 4.711 4.350 0.000 0.000 0.277 1378 E C -2.210 174.403 176.600 0.021 0.000 0.898 1378 E CA -0.779 55.661 56.400 0.066 0.000 0.764 1378 E CB 2.288 32.082 29.700 0.156 0.000 1.216 1378 E HN 0.232 nan 8.360 nan 0.000 0.419 1379 Y N 4.250 124.558 120.300 0.014 0.000 2.347 1379 Y HA 0.359 4.910 4.550 0.001 0.000 0.339 1379 Y C -1.630 174.346 175.900 0.126 0.000 1.152 1379 Y CA -0.733 57.360 58.100 -0.011 0.000 1.321 1379 Y CB 0.650 39.051 38.460 -0.098 0.000 1.137 1379 Y HN 0.459 nan 8.280 nan 0.000 0.486 1380 N N 4.170 122.867 118.700 -0.005 0.000 2.384 1380 N HA 0.466 5.206 4.740 0.000 0.000 0.301 1380 N C -1.612 173.837 175.510 -0.101 0.000 1.133 1380 N CA -0.456 52.643 53.050 0.083 0.000 0.853 1380 N CB 1.372 39.936 38.487 0.129 0.000 1.241 1380 N HN 0.410 nan 8.380 nan 0.000 0.502 1381 F N 1.526 121.617 119.950 0.236 0.000 2.359 1381 F HA 0.245 4.772 4.527 0.000 0.000 0.369 1381 F C -0.270 175.664 175.800 0.224 0.000 1.084 1381 F CA -0.946 57.219 58.000 0.274 0.000 1.096 1381 F CB 0.534 39.556 39.000 0.036 0.000 1.335 1381 F HN 0.379 nan 8.300 nan 0.000 0.457 1382 Y N 3.445 123.930 120.300 0.307 0.000 2.313 1382 Y HA 0.459 5.009 4.550 0.000 0.000 0.332 1382 Y C -0.696 175.332 175.900 0.215 0.000 1.071 1382 Y CA -0.494 57.714 58.100 0.180 0.000 1.169 1382 Y CB 0.850 39.369 38.460 0.097 0.000 1.192 1382 Y HN 0.467 nan 8.280 nan 0.000 0.487 1383 D N 5.333 125.388 120.400 -0.576 0.000 2.479 1383 D HA 0.075 4.716 4.640 0.000 0.000 0.246 1383 D C -1.884 174.153 176.300 -0.439 0.000 1.336 1383 D CA -0.427 53.361 54.000 -0.353 0.000 0.967 1383 D CB 0.974 41.695 40.800 -0.131 0.000 1.275 1383 D HN 0.655 nan 8.370 nan 0.000 0.577 1384 D N 3.905 124.060 120.400 -0.408 0.000 2.441 1384 D HA 0.107 4.747 4.640 0.000 0.000 0.221 1384 D C -0.286 175.989 176.300 -0.041 0.000 1.156 1384 D CA -0.217 53.664 54.000 -0.199 0.000 0.896 1384 D CB -0.167 40.593 40.800 -0.065 0.000 1.028 1384 D HN 0.377 nan 8.370 nan 0.000 0.509 1385 Y N 0.148 120.395 120.300 -0.089 0.000 2.392 1385 Y HA 0.407 4.958 4.550 0.001 0.000 0.323 1385 Y C 0.570 176.497 175.900 0.045 0.000 1.291 1385 Y CA -1.287 56.806 58.100 -0.012 0.000 1.345 1385 Y CB 0.450 38.930 38.460 0.033 0.000 1.320 1385 Y HN 0.009 nan 8.280 nan 0.000 0.518 1386 D N 1.651 122.157 120.400 0.177 0.000 2.455 1386 D HA -0.026 4.615 4.640 0.000 0.000 0.234 1386 D C 0.902 177.225 176.300 0.039 0.000 1.224 1386 D CA 0.035 54.107 54.000 0.119 0.000 0.999 1386 D CB 0.472 41.451 40.800 0.298 0.000 1.072 1386 D HN 0.812 nan 8.370 nan 0.000 0.514 1387 Q N 1.316 121.043 119.800 -0.122 0.000 2.170 1387 Q HA -0.192 4.148 4.340 0.000 0.000 0.203 1387 Q C 1.410 177.414 176.000 0.007 0.000 0.976 1387 Q CA 1.620 57.370 55.803 -0.087 0.000 0.858 1387 Q CB -0.633 27.993 28.738 -0.186 0.000 0.907 1387 Q HN 0.392 nan 8.270 nan 0.000 0.433 1388 T N -2.836 111.736 114.554 0.031 0.000 2.929 1388 T HA -0.016 4.334 4.350 0.000 0.000 0.271 1388 T C 1.609 176.300 174.700 -0.015 0.000 1.085 1388 T CA 1.131 63.279 62.100 0.080 0.000 1.125 1388 T CB -0.101 68.876 68.868 0.181 0.000 0.874 1388 T HN 0.475 nan 8.240 nan 0.000 0.494 1389 G N -0.372 108.206 108.800 -0.371 0.000 2.945 1389 G HA2 0.292 4.252 3.960 0.000 0.000 0.225 1389 G HA3 0.292 4.252 3.960 0.000 0.000 0.225 1389 G C -0.471 174.086 174.900 -0.572 0.000 1.046 1389 G CA -0.286 44.130 45.100 -1.139 0.000 0.842 1389 G HN 0.399 nan 8.290 nan 0.000 0.543 1390 D N -0.092 120.213 120.400 -0.158 0.000 2.629 1390 D HA 0.383 5.023 4.640 0.000 0.000 0.250 1390 D C -1.487 174.998 176.300 0.308 0.000 1.126 1390 D CA -0.447 53.637 54.000 0.140 0.000 0.852 1390 D CB 2.024 43.016 40.800 0.319 0.000 1.335 1390 D HN 0.169 nan 8.370 nan 0.000 0.518 1391 H N 1.773 120.914 119.070 0.118 0.000 2.551 1391 H HA 0.242 4.799 4.556 0.000 0.000 0.321 1391 H C -1.341 174.008 175.328 0.035 0.000 1.028 1391 H CA -0.684 55.436 56.048 0.120 0.000 1.215 1391 H CB 0.329 30.120 29.762 0.050 0.000 1.414 1391 H HN 0.280 nan 8.280 nan 0.000 0.480 1392 Y N 4.539 124.547 120.300 -0.486 0.000 2.465 1392 Y HA 0.121 4.672 4.550 0.000 0.000 0.331 1392 Y C 1.196 176.694 175.900 -0.670 0.000 1.102 1392 Y CA 0.304 58.062 58.100 -0.571 0.000 1.358 1392 Y CB 0.861 39.022 38.460 -0.499 0.000 1.213 1392 Y HN 0.803 nan 8.280 nan 0.000 0.525 1393 T N 1.456 115.472 114.554 -0.897 0.000 3.148 1393 T HA 0.212 4.562 4.350 0.000 0.000 0.253 1393 T C 1.475 175.682 174.700 -0.822 0.000 1.134 1393 T CA 0.439 62.119 62.100 -0.701 0.000 1.051 1393 T CB -0.583 68.054 68.868 -0.386 0.000 0.959 1393 T HN 1.362 nan 8.240 nan 0.000 0.525 1394 G N 0.938 108.726 108.800 -1.686 0.000 2.205 1394 G HA2 -0.224 3.736 3.960 0.000 0.000 0.261 1394 G HA3 -0.224 3.736 3.960 0.000 0.000 0.261 1394 G C -0.069 174.561 174.900 -0.450 0.000 0.980 1394 G CA -0.027 44.420 45.100 -1.089 0.000 0.632 1394 G HN 0.629 nan 8.290 nan 0.000 0.533 1395 Q N -0.117 119.444 119.800 -0.398 0.000 2.325 1395 Q HA 0.623 4.963 4.340 0.000 0.000 0.262 1395 Q C -0.350 175.722 176.000 0.120 0.000 0.968 1395 Q CA -0.596 55.142 55.803 -0.108 0.000 0.877 1395 Q CB 1.367 30.011 28.738 -0.157 0.000 1.253 1395 Q HN 0.834 nan 8.270 nan 0.000 0.448 1396 Y N -0.608 119.700 120.300 0.014 0.000 2.581 1396 Y HA 0.749 5.300 4.550 0.000 0.000 0.345 1396 Y C -1.079 174.765 175.900 -0.093 0.000 1.036 1396 Y CA -1.140 56.955 58.100 -0.008 0.000 1.042 1396 Y CB 1.733 40.184 38.460 -0.016 0.000 1.289 1396 Y HN 0.132 nan 8.280 nan 0.000 0.471 1397 K N 2.428 122.765 120.400 -0.104 0.000 2.422 1397 K HA 0.645 4.966 4.320 0.000 0.000 0.251 1397 K C -1.626 174.838 176.600 -0.227 0.000 0.933 1397 K CA -0.995 55.094 56.287 -0.330 0.000 0.798 1397 K CB 3.058 35.355 32.500 -0.338 0.000 1.238 1397 K HN 0.645 nan 8.250 nan 0.000 0.428 1398 V N 2.982 122.648 119.914 -0.414 0.000 2.581 1398 V HA 0.562 4.682 4.120 0.000 0.000 0.303 1398 V C -0.772 175.017 176.094 -0.508 0.000 1.041 1398 V CA -0.785 61.339 62.300 -0.293 0.000 0.907 1398 V CB 0.902 32.631 31.823 -0.156 0.000 0.994 1398 V HN 0.541 nan 8.190 nan 0.000 0.442 1399 F N 1.465 121.486 119.950 0.120 0.000 2.563 1399 F HA 0.782 5.309 4.527 0.000 0.000 0.316 1399 F C 0.543 176.408 175.800 0.109 0.000 1.076 1399 F CA -0.765 57.304 58.000 0.114 0.000 0.921 1399 F CB 1.759 40.833 39.000 0.122 0.000 1.209 1399 F HN 0.590 nan 8.300 nan 0.000 0.462 1400 A N 1.929 124.907 122.820 0.264 0.000 2.407 1400 A HA 0.419 4.739 4.320 0.000 0.000 0.248 1400 A C 0.644 178.280 177.584 0.086 0.000 1.082 1400 A CA -0.233 51.861 52.037 0.094 0.000 0.785 1400 A CB 0.524 19.562 19.000 0.064 0.000 1.020 1400 A HN 0.949 nan 8.150 nan 0.000 0.489 1401 K N 0.266 120.661 120.400 -0.009 0.000 2.438 1401 K HA 0.365 4.685 4.320 0.000 0.000 0.206 1401 K C -0.515 176.078 176.600 -0.011 0.000 1.081 1401 K CA 0.480 56.778 56.287 0.018 0.000 1.053 1401 K CB 0.470 32.998 32.500 0.047 0.000 0.908 1401 K HN 0.781 nan 8.250 nan 0.000 0.556 1402 V N -2.254 117.632 119.914 -0.047 0.000 3.188 1402 V HA 0.457 4.577 4.120 0.000 0.000 0.305 1402 V C -1.290 174.789 176.094 -0.024 0.000 1.232 1402 V CA -1.370 60.913 62.300 -0.028 0.000 1.043 1402 V CB 1.593 33.397 31.823 -0.033 0.000 1.068 1402 V HN -0.136 nan 8.190 nan 0.000 0.439 1403 D N 1.659 122.060 120.400 0.002 0.000 2.455 1403 D HA 0.540 5.180 4.640 0.000 0.000 0.241 1403 D C -0.315 175.996 176.300 0.017 0.000 1.138 1403 D CA 0.777 54.787 54.000 0.016 0.000 0.877 1403 D CB 1.026 41.840 40.800 0.023 0.000 1.187 1403 D HN 0.612 nan 8.370 nan 0.000 0.451 1404 I N 2.164 122.754 120.570 0.034 0.000 2.509 1404 I HA 0.376 4.546 4.170 0.000 0.000 0.293 1404 I C -0.160 175.988 176.117 0.052 0.000 1.020 1404 I CA -0.805 60.528 61.300 0.055 0.000 1.088 1404 I CB 1.797 39.847 38.000 0.085 0.000 1.267 1404 I HN 0.057 nan 8.210 nan 0.000 0.430 1405 I N 6.073 126.665 120.570 0.037 0.000 2.406 1405 I HA 0.394 4.565 4.170 0.000 0.000 0.290 1405 I C -0.199 175.908 176.117 -0.018 0.000 0.999 1405 I CA -0.605 60.703 61.300 0.013 0.000 1.124 1405 I CB 1.474 39.477 38.000 0.006 0.000 1.289 1405 I HN 0.298 nan 8.210 nan 0.000 0.441 1406 L N 5.341 126.548 121.223 -0.027 0.000 2.468 1406 L HA 0.319 4.659 4.340 0.000 0.000 0.254 1406 L C 1.471 178.309 176.870 -0.054 0.000 1.171 1406 L CA -0.614 54.185 54.840 -0.068 0.000 0.809 1406 L CB 0.551 42.574 42.059 -0.059 0.000 1.155 1406 L HN 0.614 nan 8.230 nan 0.000 0.473 1407 K N 0.850 121.208 120.400 -0.069 0.000 2.147 1407 K HA -0.151 4.169 4.320 0.000 0.000 0.205 1407 K C 1.306 177.888 176.600 -0.031 0.000 1.049 1407 K CA 1.523 57.779 56.287 -0.052 0.000 0.936 1407 K CB -0.195 32.272 32.500 -0.056 0.000 0.722 1407 K HN 0.624 nan 8.250 nan 0.000 0.446 1408 N N -0.367 118.321 118.700 -0.021 0.000 2.461 1408 N HA 0.001 4.741 4.740 0.000 0.000 0.188 1408 N C 0.994 176.504 175.510 0.000 0.000 1.134 1408 N CA 0.951 53.998 53.050 -0.006 0.000 0.878 1408 N CB 0.563 39.053 38.487 0.006 0.000 0.972 1408 N HN 0.248 nan 8.380 nan 0.000 0.456 1409 G N -0.993 107.805 108.800 -0.003 0.000 2.234 1409 G HA2 -0.275 3.685 3.960 0.000 0.000 0.235 1409 G HA3 -0.275 3.685 3.960 0.000 0.000 0.235 1409 G C -0.155 174.754 174.900 0.014 0.000 0.997 1409 G CA 0.110 45.212 45.100 0.003 0.000 0.623 1409 G HN 0.317 nan 8.290 nan 0.000 0.514 1410 V N 2.092 122.019 119.914 0.022 0.000 2.694 1410 V HA 0.298 4.418 4.120 0.000 0.000 0.306 1410 V C 1.047 177.167 176.094 0.044 0.000 1.054 1410 V CA 0.696 63.020 62.300 0.040 0.000 1.161 1410 V CB 1.020 32.878 31.823 0.058 0.000 0.916 1410 V HN 0.348 nan 8.190 nan 0.000 0.490 1411 I N 5.884 126.485 120.570 0.052 0.000 2.412 1411 I HA 0.484 4.654 4.170 0.000 0.000 0.296 1411 I C -0.281 175.883 176.117 0.078 0.000 0.987 1411 I CA -0.345 60.987 61.300 0.054 0.000 1.180 1411 I CB 1.614 39.639 38.000 0.043 0.000 1.340 1411 I HN 0.404 nan 8.210 nan 0.000 0.455 1412 I N 6.172 126.796 120.570 0.089 0.000 2.410 1412 I HA 0.324 4.494 4.170 0.000 0.000 0.286 1412 I C -0.132 176.037 176.117 0.087 0.000 1.009 1412 I CA -0.826 60.543 61.300 0.115 0.000 1.111 1412 I CB 1.330 39.434 38.000 0.173 0.000 1.262 1412 I HN 0.467 nan 8.210 nan 0.000 0.443 1413 K N 3.364 123.811 120.400 0.079 0.000 2.154 1413 K HA 0.282 4.602 4.320 0.000 0.000 0.264 1413 K C 0.224 176.860 176.600 0.061 0.000 1.008 1413 K CA -0.470 55.852 56.287 0.059 0.000 0.937 1413 K CB 1.268 33.798 32.500 0.050 0.000 1.002 1413 K HN 0.462 nan 8.250 nan 0.000 0.469 1414 S N 0.160 115.885 115.700 0.042 0.000 2.593 1414 S HA 0.125 4.596 4.470 0.000 0.000 0.300 1414 S C 1.136 175.769 174.600 0.054 0.000 1.267 1414 S CA 1.397 59.621 58.200 0.040 0.000 1.065 1414 S CB -0.239 62.975 63.200 0.023 0.000 0.807 1414 S HN 0.854 nan 8.310 nan 0.000 0.499 1415 G N 3.364 112.214 108.800 0.083 0.000 2.284 1415 G HA2 -0.223 3.737 3.960 0.000 0.000 0.216 1415 G HA3 -0.223 3.737 3.960 0.000 0.000 0.216 1415 G C 0.257 175.277 174.900 0.198 0.000 1.009 1415 G CA 0.001 45.151 45.100 0.083 0.000 0.625 1415 G HN 0.838 nan 8.290 nan 0.000 0.501 1416 T N 1.795 116.456 114.554 0.179 0.000 2.934 1416 T HA 0.368 4.718 4.350 0.000 0.000 0.306 1416 T C 0.412 175.270 174.700 0.264 0.000 1.042 1416 T CA 0.832 63.050 62.100 0.196 0.000 1.145 1416 T CB 1.425 70.384 68.868 0.151 0.000 0.982 1416 T HN 0.583 nan 8.240 nan 0.000 0.544 1417 E N 2.493 122.811 120.200 0.196 0.000 2.290 1417 E HA 0.138 4.488 4.350 0.000 0.000 0.277 1417 E C 0.083 176.632 176.600 -0.087 0.000 1.035 1417 E CA -0.310 56.043 56.400 -0.079 0.000 0.873 1417 E CB 0.275 29.851 29.700 -0.206 0.000 1.029 1417 E HN 0.601 nan 8.360 nan 0.000 0.419 1418 L N 4.121 125.274 121.223 -0.117 0.000 2.857 1418 L HA 0.094 4.435 4.340 0.000 0.000 0.249 1418 L C 1.544 178.308 176.870 -0.177 0.000 1.172 1418 L CA -0.080 54.763 54.840 0.005 0.000 0.980 1418 L CB 0.260 42.463 42.059 0.240 0.000 1.299 1418 L HN 0.650 nan 8.230 nan 0.000 0.535 1419 T N 0.240 114.609 114.554 -0.308 0.000 2.760 1419 T HA -0.250 4.101 4.350 0.000 0.000 0.269 1419 T C 1.867 176.375 174.700 -0.320 0.000 1.047 1419 T CA 1.739 63.632 62.100 -0.345 0.000 1.139 1419 T CB -0.139 68.460 68.868 -0.448 0.000 0.855 1419 T HN 0.505 nan 8.240 nan 0.000 0.471 1420 Q N 0.229 119.795 119.800 -0.389 0.000 2.482 1420 Q HA -0.068 4.272 4.340 0.000 0.000 0.209 1420 Q C 0.500 176.223 176.000 -0.462 0.000 0.961 1420 Q CA 1.005 56.554 55.803 -0.424 0.000 0.945 1420 Q CB -0.358 28.084 28.738 -0.493 0.000 1.012 1420 Q HN 0.585 nan 8.270 nan 0.000 0.515 1421 Y N 1.703 121.851 120.300 -0.252 0.000 2.524 1421 Y HA 0.215 4.765 4.550 0.000 0.000 0.266 1421 Y C 0.762 176.548 175.900 -0.190 0.000 1.180 1421 Y CA 0.235 58.184 58.100 -0.252 0.000 1.244 1421 Y CB 0.525 38.590 38.460 -0.659 0.000 1.125 1421 Y HN 0.188 nan 8.280 nan 0.000 0.524 1422 T N -2.777 111.705 114.554 -0.120 0.000 2.901 1422 T HA 0.752 5.103 4.350 0.000 0.000 0.293 1422 T C -0.126 174.587 174.700 0.021 0.000 1.084 1422 T CA -0.622 61.410 62.100 -0.114 0.000 1.008 1422 T CB 2.522 71.249 68.868 -0.234 0.000 1.170 1422 T HN 0.016 nan 8.240 nan 0.000 0.509 1423 T N -1.694 112.893 114.554 0.055 0.000 2.901 1423 T HA 0.814 5.165 4.350 0.000 0.000 0.293 1423 T C -0.735 173.983 174.700 0.030 0.000 1.084 1423 T CA -0.932 61.221 62.100 0.089 0.000 1.008 1423 T CB 1.555 70.466 68.868 0.072 0.000 1.170 1423 T HN 1.308 nan 8.240 nan 0.000 0.509 1424 A N 1.166 123.997 122.820 0.019 0.000 2.311 1424 A HA 0.632 4.952 4.320 0.000 0.000 0.306 1424 A C -0.175 177.392 177.584 -0.028 0.000 1.189 1424 A CA -0.704 51.252 52.037 -0.134 0.000 0.791 1424 A CB 0.771 19.568 19.000 -0.338 0.000 1.172 1424 A HN 0.852 nan 8.150 nan 0.000 0.481 1425 E N 2.162 122.352 120.200 -0.016 0.000 2.194 1425 E HA 0.432 4.782 4.350 0.000 0.000 0.284 1425 E C -0.833 175.783 176.600 0.026 0.000 1.035 1425 E CA -0.185 56.234 56.400 0.032 0.000 0.836 1425 E CB 0.991 30.728 29.700 0.062 0.000 1.070 1425 E HN 0.525 nan 8.360 nan 0.000 0.401 1426 V N 2.121 122.066 119.914 0.051 0.000 2.417 1426 V HA 0.332 4.452 4.120 0.000 0.000 0.291 1426 V C -0.161 175.982 176.094 0.082 0.000 1.024 1426 V CA -0.992 61.349 62.300 0.067 0.000 0.861 1426 V CB 1.693 33.585 31.823 0.115 0.000 0.985 1426 V HN 0.534 nan 8.190 nan 0.000 0.436 1427 D N 3.076 123.527 120.400 0.085 0.000 2.477 1427 D HA 0.233 4.873 4.640 0.000 0.000 0.239 1427 D C 0.997 177.342 176.300 0.074 0.000 1.102 1427 D CA 0.038 54.085 54.000 0.078 0.000 0.901 1427 D CB 1.979 42.831 40.800 0.086 0.000 1.026 1427 D HN 0.707 nan 8.370 nan 0.000 0.515 1428 T N 1.443 116.046 114.554 0.081 0.000 2.904 1428 T HA -0.095 4.255 4.350 0.000 0.000 0.267 1428 T C 1.621 176.354 174.700 0.056 0.000 1.059 1428 T CA 1.605 63.759 62.100 0.090 0.000 1.137 1428 T CB 0.301 69.226 68.868 0.096 0.000 0.879 1428 T HN 0.316 nan 8.240 nan 0.000 0.467 1429 T N 1.172 115.751 114.554 0.042 0.000 2.701 1429 T HA -0.005 4.345 4.350 0.000 0.000 0.263 1429 T C 1.932 176.636 174.700 0.007 0.000 1.040 1429 T CA 1.189 63.305 62.100 0.027 0.000 1.147 1429 T CB -0.190 68.694 68.868 0.027 0.000 0.865 1429 T HN 0.356 nan 8.240 nan 0.000 0.426 1430 K N 0.484 120.888 120.400 0.007 0.000 2.365 1430 K HA 0.055 4.375 4.320 0.000 0.000 0.199 1430 K C 0.955 177.501 176.600 -0.090 0.000 1.045 1430 K CA 0.616 56.894 56.287 -0.015 0.000 0.962 1430 K CB -0.213 32.300 32.500 0.022 0.000 0.759 1430 K HN 0.419 nan 8.250 nan 0.000 0.469 1431 G N 0.561 109.299 108.800 -0.103 0.000 2.324 1431 G HA2 -0.204 3.757 3.960 0.000 0.000 0.292 1431 G HA3 -0.204 3.757 3.960 0.000 0.000 0.292 1431 G C -0.260 174.354 174.900 -0.476 0.000 1.079 1431 G CA 0.320 45.244 45.100 -0.294 0.000 1.026 1431 G HN 0.578 nan 8.290 nan 0.000 0.506 1432 A N -0.596 122.187 122.820 -0.063 0.000 2.527 1432 A HA 0.956 5.276 4.320 0.000 0.000 0.293 1432 A C -0.579 177.044 177.584 0.065 0.000 1.117 1432 A CA -0.304 51.742 52.037 0.016 0.000 0.723 1432 A CB 2.027 20.969 19.000 -0.096 0.000 1.313 1432 A HN 1.717 nan 8.150 nan 0.000 0.411 1433 I N 0.332 120.843 120.570 -0.098 0.000 2.610 1433 I HA 0.523 4.693 4.170 0.000 0.000 0.289 1433 I C -1.141 174.873 176.117 -0.171 0.000 1.163 1433 I CA 0.024 61.209 61.300 -0.191 0.000 1.044 1433 I CB 2.292 40.006 38.000 -0.478 0.000 1.251 1433 I HN 0.549 nan 8.210 nan 0.000 0.424 1434 T N 8.101 122.640 114.554 -0.025 0.000 2.821 1434 T HA 0.513 4.863 4.350 0.000 0.000 0.307 1434 T C 0.007 174.705 174.700 -0.003 0.000 1.034 1434 T CA -0.250 61.909 62.100 0.098 0.000 0.953 1434 T CB 0.471 69.492 68.868 0.256 0.000 0.968 1434 T HN 0.314 nan 8.240 nan 0.000 0.462 1435 I N 3.990 124.544 120.570 -0.026 0.000 2.379 1435 I HA 0.228 4.398 4.170 0.000 0.000 0.290 1435 I C 0.445 176.658 176.117 0.159 0.000 1.063 1435 I CA -0.166 61.082 61.300 -0.087 0.000 1.351 1435 I CB 0.418 38.281 38.000 -0.228 0.000 1.410 1435 I HN 0.348 nan 8.210 nan 0.000 0.505 1436 K N 6.462 126.921 120.400 0.098 0.000 2.323 1436 K HA 0.450 4.771 4.320 0.000 0.000 0.259 1436 K C -0.916 175.792 176.600 0.180 0.000 0.947 1436 K CA -0.617 55.786 56.287 0.194 0.000 0.819 1436 K CB 1.819 34.416 32.500 0.162 0.000 1.109 1436 K HN 0.224 nan 8.250 nan 0.000 0.429 1437 F N 2.811 122.938 119.950 0.295 0.000 2.495 1437 F HA 0.074 4.602 4.527 0.000 0.000 0.365 1437 F C 0.915 176.868 175.800 0.254 0.000 1.090 1437 F CA 0.012 58.194 58.000 0.303 0.000 1.235 1437 F CB 0.546 39.767 39.000 0.370 0.000 1.119 1437 F HN 0.213 nan 8.300 nan 0.000 0.562 1438 K N 3.184 123.822 120.400 0.397 0.000 2.489 1438 K HA -0.092 4.229 4.320 0.000 0.000 0.278 1438 K C 1.200 178.014 176.600 0.356 0.000 1.000 1438 K CA 0.099 56.580 56.287 0.324 0.000 1.012 1438 K CB 0.556 33.233 32.500 0.295 0.000 0.903 1438 K HN 0.736 nan 8.250 nan 0.000 0.485 1439 E N 2.825 123.179 120.200 0.256 0.000 2.072 1439 E HA -0.225 4.125 4.350 0.000 0.000 0.191 1439 E C 1.813 178.515 176.600 0.170 0.000 0.985 1439 E CA 1.228 57.757 56.400 0.214 0.000 0.801 1439 E CB 0.036 29.840 29.700 0.174 0.000 0.750 1439 E HN 0.726 nan 8.360 nan 0.000 0.452 1440 A N 0.758 123.680 122.820 0.170 0.000 1.917 1440 A HA -0.220 4.100 4.320 0.000 0.000 0.219 1440 A C 2.027 179.691 177.584 0.134 0.000 1.182 1440 A CA 1.618 53.737 52.037 0.137 0.000 0.633 1440 A CB -0.981 18.108 19.000 0.149 0.000 0.819 1440 A HN 0.563 nan 8.150 nan 0.000 0.448 1441 F N 0.454 120.449 119.950 0.074 0.000 2.113 1441 F HA -0.093 4.434 4.527 0.000 0.000 0.297 1441 F C 1.918 177.663 175.800 -0.091 0.000 1.103 1441 F CA 1.617 59.602 58.000 -0.026 0.000 1.248 1441 F CB -0.359 38.646 39.000 0.009 0.000 0.999 1441 F HN 0.139 nan 8.300 nan 0.000 0.475 1442 L N 0.205 121.357 121.223 -0.120 0.000 2.012 1442 L HA -0.242 4.098 4.340 0.000 0.000 0.210 1442 L C 2.560 179.208 176.870 -0.371 0.000 1.073 1442 L CA 1.677 56.284 54.840 -0.388 0.000 0.748 1442 L CB -0.679 41.272 42.059 -0.180 0.000 0.891 1442 L HN 0.080 nan 8.230 nan 0.000 0.431 1443 R N -0.385 120.014 120.500 -0.169 0.000 2.316 1443 R HA -0.081 4.259 4.340 0.000 0.000 0.202 1443 R C 2.361 178.570 176.300 -0.152 0.000 1.029 1443 R CA 1.100 57.133 56.100 -0.110 0.000 1.018 1443 R CB -0.132 30.160 30.300 -0.014 0.000 0.888 1443 R HN 0.446 nan 8.270 nan 0.000 0.471 1444 S N -0.534 115.018 115.700 -0.246 0.000 2.501 1444 S HA 0.049 4.519 4.470 0.000 0.000 0.220 1444 S C 0.870 175.306 174.600 -0.274 0.000 0.997 1444 S CA -0.314 57.750 58.200 -0.228 0.000 0.919 1444 S CB 0.210 63.278 63.200 -0.220 0.000 0.778 1444 S HN -0.093 nan 8.310 nan 0.000 0.523 1445 V N 2.951 122.637 119.914 -0.380 0.000 2.572 1445 V HA 0.271 4.392 4.120 0.000 0.000 0.291 1445 V C 0.831 176.833 176.094 -0.154 0.000 1.039 1445 V CA -0.322 61.804 62.300 -0.291 0.000 1.055 1445 V CB 0.974 32.575 31.823 -0.368 0.000 0.969 1445 V HN 0.500 nan 8.190 nan 0.000 0.482 1446 S N 4.048 119.687 115.700 -0.103 0.000 2.560 1446 S HA 0.127 4.598 4.470 0.000 0.000 0.284 1446 S C 1.301 175.824 174.600 -0.129 0.000 1.327 1446 S CA -0.325 57.818 58.200 -0.095 0.000 1.055 1446 S CB 0.199 63.352 63.200 -0.078 0.000 0.868 1446 S HN 0.661 nan 8.310 nan 0.000 0.506 1447 I N 1.175 121.629 120.570 -0.194 0.000 3.083 1447 I HA 0.001 4.171 4.170 0.000 0.000 0.273 1447 I C 0.680 176.367 176.117 -0.716 0.000 1.297 1447 I CA 1.138 62.151 61.300 -0.478 0.000 1.452 1447 I CB -0.188 37.630 38.000 -0.303 0.000 1.078 1447 I HN 0.404 nan 8.210 nan 0.000 0.484 1448 D N 0.938 121.144 120.400 -0.323 0.000 2.333 1448 D HA 0.046 4.686 4.640 0.000 0.000 0.208 1448 D C 1.162 177.393 176.300 -0.115 0.000 0.984 1448 D CA 0.452 54.325 54.000 -0.211 0.000 0.873 1448 D CB 0.273 41.006 40.800 -0.112 0.000 0.935 1448 D HN 0.353 nan 8.370 nan 0.000 0.521 1449 S N 0.088 115.751 115.700 -0.061 0.000 2.584 1449 S HA 0.513 4.983 4.470 0.000 0.000 0.273 1449 S C 0.211 174.913 174.600 0.171 0.000 1.311 1449 S CA -0.684 57.548 58.200 0.052 0.000 1.034 1449 S CB 1.120 64.355 63.200 0.059 0.000 0.939 1449 S HN 0.157 nan 8.310 nan 0.000 0.513 1450 A N 2.867 125.766 122.820 0.132 0.000 2.366 1450 A HA 0.655 4.976 4.320 0.000 0.000 0.250 1450 A C -0.541 177.156 177.584 0.189 0.000 1.099 1450 A CA -0.194 51.931 52.037 0.147 0.000 0.794 1450 A CB -0.024 19.022 19.000 0.077 0.000 1.056 1450 A HN 1.013 nan 8.150 nan 0.000 0.499 1451 F N -0.856 119.072 119.950 -0.037 0.000 2.654 1451 F HA 0.538 5.065 4.527 0.000 0.000 0.314 1451 F C -0.801 174.933 175.800 -0.110 0.000 1.116 1451 F CA -0.163 57.768 58.000 -0.115 0.000 1.017 1451 F CB 1.413 40.282 39.000 -0.219 0.000 1.285 1451 F HN 0.782 nan 8.300 nan 0.000 0.448 1452 Q N 4.622 123.968 119.800 -0.757 0.000 2.468 1452 Q HA 0.749 5.089 4.340 0.000 0.000 0.263 1452 Q C -2.184 173.499 176.000 -0.529 0.000 0.979 1452 Q CA -0.627 54.944 55.803 -0.386 0.000 0.932 1452 Q CB 2.212 30.912 28.738 -0.064 0.000 1.462 1452 Q HN 1.058 nan 8.270 nan 0.000 0.403 1453 A N 2.510 125.234 122.820 -0.161 0.000 2.530 1453 A HA 0.900 5.220 4.320 0.000 0.000 0.288 1453 A C -1.714 176.182 177.584 0.520 0.000 1.172 1453 A CA -0.560 51.575 52.037 0.163 0.000 0.733 1453 A CB 1.850 21.031 19.000 0.301 0.000 1.320 1453 A HN 0.745 nan 8.150 nan 0.000 0.419 1454 E N 0.182 120.613 120.200 0.385 0.000 2.321 1454 E HA 0.615 4.965 4.350 0.000 0.000 0.278 1454 E C -1.327 175.170 176.600 -0.173 0.000 0.902 1454 E CA -0.709 55.787 56.400 0.160 0.000 0.758 1454 E CB 1.803 31.561 29.700 0.097 0.000 1.213 1454 E HN 0.289 nan 8.360 nan 0.000 0.426 1455 S N 1.544 116.800 115.700 -0.740 0.000 2.578 1455 S HA 0.390 4.861 4.470 0.000 0.000 0.283 1455 S C -1.185 173.191 174.600 -0.373 0.000 1.195 1455 S CA -0.520 57.313 58.200 -0.610 0.000 1.050 1455 S CB 0.341 62.913 63.200 -1.047 0.000 1.012 1455 S HN 0.411 nan 8.310 nan 0.000 0.511 1456 Y N 2.398 122.648 120.300 -0.084 0.000 2.334 1456 Y HA 0.475 5.025 4.550 0.000 0.000 0.336 1456 Y C 0.363 176.245 175.900 -0.029 0.000 0.960 1456 Y CA -0.887 57.200 58.100 -0.021 0.000 1.164 1456 Y CB 0.783 39.291 38.460 0.079 0.000 1.155 1456 Y HN 0.517 nan 8.280 nan 0.000 0.478 1457 I N 0.930 121.519 120.570 0.032 0.000 2.354 1457 I HA 0.500 4.670 4.170 0.000 0.000 0.292 1457 I C -0.613 175.479 176.117 -0.042 0.000 0.989 1457 I CA -0.972 60.331 61.300 0.004 0.000 1.188 1457 I CB 1.636 39.509 38.000 -0.211 0.000 1.342 1457 I HN 0.527 nan 8.210 nan 0.000 0.457 1458 Q N 6.177 125.989 119.800 0.021 0.000 2.267 1458 Q HA 0.449 4.789 4.340 0.000 0.000 0.255 1458 Q C -0.993 174.835 176.000 -0.287 0.000 0.923 1458 Q CA -0.558 55.141 55.803 -0.173 0.000 0.925 1458 Q CB 1.225 29.881 28.738 -0.137 0.000 1.195 1458 Q HN 0.644 nan 8.270 nan 0.000 0.417 1459 M N 2.246 121.467 119.600 -0.631 0.000 2.727 1459 M HA 0.499 4.980 4.480 0.000 0.000 0.300 1459 M C -0.941 175.076 176.300 -0.471 0.000 1.246 1459 M CA -0.658 54.240 55.300 -0.670 0.000 0.835 1459 M CB 1.754 33.699 32.600 -1.091 0.000 1.755 1459 M HN 0.398 nan 8.290 nan 0.000 0.473 1460 K N 1.211 121.550 120.400 -0.102 0.000 2.507 1460 K HA 0.425 4.745 4.320 0.000 0.000 0.252 1460 K C -0.928 175.833 176.600 0.267 0.000 0.943 1460 K CA -0.704 55.666 56.287 0.139 0.000 0.808 1460 K CB 1.893 34.490 32.500 0.162 0.000 1.142 1460 K HN 0.476 nan 8.250 nan 0.000 0.426 1461 R N 4.520 125.223 120.500 0.337 0.000 2.343 1461 R HA 0.104 4.444 4.340 0.000 0.000 0.326 1461 R C 0.184 176.530 176.300 0.078 0.000 1.055 1461 R CA 0.143 56.336 56.100 0.155 0.000 0.961 1461 R CB -0.551 29.760 30.300 0.019 0.000 0.978 1461 R HN 0.705 nan 8.270 nan 0.000 0.443 1462 I N 1.256 121.846 120.570 0.033 0.000 3.658 1462 I HA 0.632 4.802 4.170 0.000 0.000 0.328 1462 I C -0.187 175.945 176.117 0.025 0.000 1.567 1462 I CA -0.379 60.936 61.300 0.025 0.000 1.078 1462 I CB 0.756 38.765 38.000 0.014 0.000 1.267 1462 I HN 0.485 nan 8.210 nan 0.000 0.495 1463 A N 0.652 123.505 122.820 0.056 0.000 2.564 1463 A HA 0.790 5.110 4.320 0.000 0.000 0.291 1463 A C -0.940 176.782 177.584 0.230 0.000 1.102 1463 A CA -0.334 51.789 52.037 0.143 0.000 0.660 1463 A CB 1.215 20.334 19.000 0.198 0.000 1.283 1463 A HN 0.517 nan 8.150 nan 0.000 0.430 1464 V N -1.081 118.967 119.914 0.223 0.000 2.481 1464 V HA 0.946 5.066 4.120 0.000 0.000 0.286 1464 V C 0.518 176.708 176.094 0.161 0.000 1.042 1464 V CA 0.582 62.985 62.300 0.171 0.000 0.928 1464 V CB 0.381 32.256 31.823 0.087 0.000 0.986 1464 V HN 2.784 nan 8.190 nan 0.000 0.462 1465 G N 2.793 111.626 108.800 0.055 0.000 2.293 1465 G HA2 0.267 4.227 3.960 0.000 0.000 0.282 1465 G HA3 0.267 4.227 3.960 0.000 0.000 0.282 1465 G C -0.568 174.157 174.900 -0.292 0.000 1.299 1465 G CA -0.249 44.729 45.100 -0.203 0.000 1.018 1465 G HN 1.058 nan 8.290 nan 0.000 0.478 1466 T N 0.917 115.145 114.554 -0.543 0.000 2.840 1466 T HA 0.673 5.024 4.350 0.000 0.000 0.287 1466 T C -1.151 173.259 174.700 -0.483 0.000 0.991 1466 T CA -0.067 61.839 62.100 -0.325 0.000 0.964 1466 T CB 0.519 69.295 68.868 -0.154 0.000 0.954 1466 T HN 0.470 nan 8.240 nan 0.000 0.438 1467 F N 1.551 121.541 119.950 0.066 0.000 2.522 1467 F HA 0.553 5.080 4.527 0.000 0.000 0.324 1467 F C 0.753 176.614 175.800 0.103 0.000 1.077 1467 F CA -1.067 56.990 58.000 0.095 0.000 0.944 1467 F CB 1.705 40.788 39.000 0.140 0.000 1.175 1467 F HN 0.375 nan 8.300 nan 0.000 0.468 1468 E N 1.011 121.369 120.200 0.262 0.000 2.207 1468 E HA 0.391 4.741 4.350 0.000 0.000 0.270 1468 E C -1.330 175.347 176.600 0.127 0.000 0.927 1468 E CA -1.083 55.412 56.400 0.159 0.000 0.799 1468 E CB 2.321 32.076 29.700 0.092 0.000 1.172 1468 E HN 0.506 nan 8.360 nan 0.000 0.404 1469 N N 0.514 119.224 118.700 0.018 0.000 2.235 1469 N HA 0.446 5.186 4.740 0.000 0.000 0.293 1469 N C -1.912 173.542 175.510 -0.093 0.000 1.083 1469 N CA -0.270 52.710 53.050 -0.116 0.000 0.801 1469 N CB 2.031 40.188 38.487 -0.550 0.000 1.559 1469 N HN 0.297 nan 8.380 nan 0.000 0.472 1470 T N 1.607 116.139 114.554 -0.036 0.000 2.956 1470 T HA 0.375 4.726 4.350 0.000 0.000 0.312 1470 T C -1.638 173.124 174.700 0.104 0.000 1.151 1470 T CA -0.524 61.594 62.100 0.031 0.000 1.024 1470 T CB 0.654 69.539 68.868 0.028 0.000 1.140 1470 T HN 0.481 nan 8.240 nan 0.000 0.473 1471 Y N 1.461 121.756 120.300 -0.010 0.000 2.536 1471 Y HA 0.837 5.387 4.550 0.000 0.000 0.347 1471 Y C -1.480 174.468 175.900 0.081 0.000 1.000 1471 Y CA -1.623 56.496 58.100 0.033 0.000 1.051 1471 Y CB 1.116 39.596 38.460 0.033 0.000 1.259 1471 Y HN 0.399 nan 8.280 nan 0.000 0.468 1472 I N 4.131 124.662 120.570 -0.064 0.000 2.312 1472 I HA 0.201 4.372 4.170 0.000 0.000 0.290 1472 I C -0.469 175.536 176.117 -0.186 0.000 1.008 1472 I CA -0.431 60.778 61.300 -0.151 0.000 1.226 1472 I CB 0.890 38.940 38.000 0.084 0.000 1.371 1472 I HN 0.831 nan 8.210 nan 0.000 0.468 1473 N N 5.172 123.631 118.700 -0.401 0.000 2.462 1473 N HA 0.224 4.964 4.740 0.000 0.000 0.242 1473 N C -0.776 174.639 175.510 -0.158 0.000 1.010 1473 N CA -0.194 52.688 53.050 -0.280 0.000 0.939 1473 N CB 0.803 39.068 38.487 -0.370 0.000 1.127 1473 N HN 0.454 nan 8.380 nan 0.000 0.509 1474 T N 2.866 117.332 114.554 -0.147 0.000 2.733 1474 T HA 0.214 4.565 4.350 0.000 0.000 0.294 1474 T C -0.029 174.584 174.700 -0.146 0.000 0.956 1474 T CA -0.359 61.691 62.100 -0.083 0.000 0.987 1474 T CB 1.062 69.901 68.868 -0.048 0.000 0.920 1474 T HN 0.187 nan 8.240 nan 0.000 0.470 1475 V N 5.076 124.948 119.914 -0.071 0.000 2.334 1475 V HA 0.301 4.422 4.120 0.000 0.000 0.281 1475 V C 0.305 176.300 176.094 -0.166 0.000 1.016 1475 V CA -1.022 61.188 62.300 -0.150 0.000 0.832 1475 V CB 0.849 32.576 31.823 -0.160 0.000 0.999 1475 V HN 0.933 nan 8.190 nan 0.000 0.439 1476 N N 4.231 122.702 118.700 -0.382 0.000 2.716 1476 N HA -0.212 4.528 4.740 0.000 0.000 0.250 1476 N C 1.097 176.521 175.510 -0.144 0.000 1.033 1476 N CA 1.743 54.355 53.050 -0.731 0.000 0.727 1476 N CB -1.023 37.006 38.487 -0.763 0.000 0.950 1476 N HN 1.444 nan 8.380 nan 0.000 0.541 1477 G N -3.610 105.188 108.800 -0.003 0.000 2.175 1477 G HA2 -0.238 3.722 3.960 0.000 0.000 0.244 1477 G HA3 -0.238 3.722 3.960 0.000 0.000 0.244 1477 G C -0.140 174.751 174.900 -0.014 0.000 0.982 1477 G CA 0.110 45.256 45.100 0.078 0.000 0.641 1477 G HN 0.529 nan 8.290 nan 0.000 0.527 1478 V N 1.987 121.869 119.914 -0.053 0.000 2.448 1478 V HA 0.694 4.814 4.120 0.000 0.000 0.295 1478 V C 0.665 176.600 176.094 -0.265 0.000 1.025 1478 V CA -0.028 62.165 62.300 -0.177 0.000 0.859 1478 V CB 1.749 33.453 31.823 -0.198 0.000 0.988 1478 V HN 0.683 nan 8.190 nan 0.000 0.431 1479 T N 2.038 116.382 114.554 -0.351 0.000 2.806 1479 T HA 0.676 5.026 4.350 0.000 0.000 0.290 1479 T C -0.956 173.466 174.700 -0.464 0.000 0.966 1479 T CA -0.351 61.582 62.100 -0.278 0.000 1.060 1479 T CB 0.424 69.177 68.868 -0.191 0.000 0.927 1479 T HN 0.417 nan 8.240 nan 0.000 0.485 1480 Y N 0.953 121.151 120.300 -0.171 0.000 2.338 1480 Y HA 0.536 5.087 4.550 0.000 0.000 0.333 1480 Y C 0.650 176.413 175.900 -0.228 0.000 0.968 1480 Y CA -1.046 56.951 58.100 -0.172 0.000 1.123 1480 Y CB 2.178 40.534 38.460 -0.174 0.000 1.165 1480 Y HN 0.729 nan 8.280 nan 0.000 0.452 1481 S N 2.139 117.807 115.700 -0.054 0.000 2.565 1481 S HA 0.449 4.920 4.470 0.000 0.000 0.274 1481 S C 0.148 174.672 174.600 -0.126 0.000 1.309 1481 S CA -0.614 57.517 58.200 -0.116 0.000 1.043 1481 S CB 0.389 63.550 63.200 -0.065 0.000 0.939 1481 S HN 0.760 nan 8.310 nan 0.000 0.504 1482 S N 4.107 119.689 115.700 -0.197 0.000 2.713 1482 S HA 0.415 4.885 4.470 0.000 0.000 0.277 1482 S C 0.162 174.754 174.600 -0.013 0.000 1.168 1482 S CA -0.980 57.161 58.200 -0.099 0.000 0.994 1482 S CB 0.196 63.361 63.200 -0.058 0.000 1.054 1482 S HN 0.877 nan 8.310 nan 0.000 0.555 1483 N N 0.336 119.054 118.700 0.030 0.000 2.340 1483 N HA 0.062 4.802 4.740 0.000 0.000 0.236 1483 N C -0.702 174.832 175.510 0.040 0.000 1.296 1483 N CA -0.038 53.033 53.050 0.036 0.000 0.896 1483 N CB -0.437 38.078 38.487 0.047 0.000 1.127 1483 N HN 0.619 nan 8.380 nan 0.000 0.442 1484 T N 0.123 114.697 114.554 0.033 0.000 2.795 1484 T HA 0.408 4.758 4.350 0.000 0.000 0.282 1484 T C 0.489 175.212 174.700 0.039 0.000 0.980 1484 T CA -0.811 61.307 62.100 0.031 0.000 1.012 1484 T CB 0.913 69.798 68.868 0.027 0.000 0.936 1484 T HN 0.499 nan 8.240 nan 0.000 0.457 1485 V N 0.957 120.892 119.914 0.035 0.000 3.096 1485 V HA 0.906 5.026 4.120 0.000 0.000 0.319 1485 V C -0.443 175.701 176.094 0.083 0.000 1.082 1485 V CA -1.066 61.272 62.300 0.064 0.000 1.022 1485 V CB 1.514 33.393 31.823 0.094 0.000 1.103 1485 V HN 0.991 nan 8.190 nan 0.000 0.455 1486 K N 0.749 121.216 120.400 0.110 0.000 2.583 1486 K HA 0.626 4.946 4.320 0.000 0.000 0.260 1486 K C -1.054 175.612 176.600 0.110 0.000 0.931 1486 K CA 0.011 56.371 56.287 0.121 0.000 0.849 1486 K CB 2.083 34.629 32.500 0.077 0.000 1.347 1486 K HN 1.152 nan 8.250 nan 0.000 0.425 1487 T N 0.000 114.630 114.554 0.126 0.000 3.816 1487 T HA 0.000 4.350 4.350 0.000 0.000 0.228 1487 T CA 0.000 62.148 62.100 0.079 0.000 1.349 1487 T CB 0.000 68.896 68.868 0.046 0.000 0.612 1487 T HN 0.000 nan 8.240 nan 0.000 0.658