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 3gf9_1_A DATA FIRST_RESID 1178 DATA SEQUENCE IERKRQGYIH ELIQTEERYM ADLQLVVEVF QKRMAESGFL TEGEMALIFV DATA SEQUENCE NWKELIMSNT KLLKALRVRK XXXXXXXXVQ MIGDILAAEL SHMQAYIRFC DATA SEQUENCE SCQLNGAALL QQKTDEDTDF KEFLKKLASD PRCKGMPLSS FLLKPMQRIT DATA SEQUENCE RYPLLIRSIL ENTPESHADH SSLKLALERA EELCSQVNEG 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 1178 I HA 0.000 nan 4.170 nan 0.000 0.288 1178 I C 0.000 176.164 176.117 0.079 0.000 1.063 1178 I CA 0.000 61.340 61.300 0.066 0.000 1.566 1178 I CB 0.000 38.042 38.000 0.071 0.000 1.214 1179 E N 1.426 121.671 120.200 0.075 0.000 2.338 1179 E HA -0.163 4.182 4.350 -0.007 0.000 0.197 1179 E C 2.026 178.662 176.600 0.060 0.000 1.007 1179 E CA 1.333 57.786 56.400 0.088 0.000 0.849 1179 E CB -0.004 29.746 29.700 0.084 0.000 0.774 1179 E HN 0.219 nan 8.360 nan 0.000 0.506 1180 R N 0.450 120.972 120.500 0.037 0.000 2.061 1180 R HA -0.057 4.279 4.340 -0.007 0.000 0.230 1180 R C 1.992 178.292 176.300 -0.001 0.000 1.140 1180 R CA 1.985 58.091 56.100 0.010 0.000 0.940 1180 R CB -0.635 29.663 30.300 -0.003 0.000 0.839 1180 R HN 0.269 nan 8.270 nan 0.000 0.429 1181 K N -0.006 120.402 120.400 0.013 0.000 1.977 1181 K HA -0.195 4.121 4.320 -0.007 0.000 0.218 1181 K C 2.555 179.197 176.600 0.069 0.000 1.051 1181 K CA 2.150 58.436 56.287 -0.001 0.000 0.953 1181 K CB -0.589 31.968 32.500 0.096 0.000 0.727 1181 K HN 0.286 nan 8.250 nan 0.000 0.445 1182 R N 1.018 121.612 120.500 0.157 0.000 2.190 1182 R HA -0.278 4.058 4.340 -0.007 0.000 0.255 1182 R C 2.270 178.653 176.300 0.138 0.000 1.143 1182 R CA 2.158 58.363 56.100 0.175 0.000 0.965 1182 R CB -0.133 30.239 30.300 0.119 0.000 0.889 1182 R HN 0.216 nan 8.270 nan 0.000 0.448 1183 Q N -0.843 119.008 119.800 0.085 0.000 2.124 1183 Q HA -0.056 4.279 4.340 -0.007 0.000 0.202 1183 Q C 2.111 178.150 176.000 0.066 0.000 0.977 1183 Q CA 1.774 57.619 55.803 0.069 0.000 0.850 1183 Q CB -0.563 28.198 28.738 0.039 0.000 0.901 1183 Q HN 0.624 nan 8.270 nan 0.000 0.429 1184 G N -1.161 107.638 108.800 -0.001 0.000 2.421 1184 G HA2 -0.204 3.752 3.960 -0.007 0.000 0.217 1184 G HA3 -0.204 3.752 3.960 -0.007 0.000 0.217 1184 G C 1.218 176.123 174.900 0.010 0.000 1.143 1184 G CA 0.117 45.191 45.100 -0.043 0.000 0.784 1184 G HN 0.349 nan 8.290 nan 0.000 0.541 1185 Y N 0.333 120.670 120.300 0.062 0.000 2.293 1185 Y HA 0.070 4.615 4.550 -0.008 0.000 0.291 1185 Y C 2.673 178.602 175.900 0.048 0.000 1.137 1185 Y CA 0.289 58.416 58.100 0.046 0.000 1.202 1185 Y CB 0.071 38.545 38.460 0.024 0.000 0.990 1185 Y HN 0.121 nan 8.280 nan 0.000 0.537 1186 I N -0.849 119.846 120.570 0.209 0.000 2.353 1186 I HA -0.308 3.858 4.170 -0.007 0.000 0.248 1186 I C 2.533 178.731 176.117 0.135 0.000 1.119 1186 I CA 1.227 62.610 61.300 0.139 0.000 1.417 1186 I CB -0.473 37.594 38.000 0.111 0.000 1.078 1186 I HN 0.406 nan 8.210 nan 0.000 0.421 1187 H N 1.271 120.372 119.070 0.051 0.000 2.389 1187 H HA -0.169 4.383 4.556 -0.007 0.000 0.299 1187 H C 1.990 177.342 175.328 0.038 0.000 1.081 1187 H CA 1.551 57.619 56.048 0.034 0.000 1.345 1187 H CB 0.208 29.977 29.762 0.012 0.000 1.393 1187 H HN 0.377 nan 8.280 nan 0.000 0.520 1188 E N 0.385 120.622 120.200 0.060 0.000 2.150 1188 E HA -0.128 4.218 4.350 -0.007 0.000 0.193 1188 E C 2.436 179.029 176.600 -0.012 0.000 0.985 1188 E CA 0.569 56.974 56.400 0.009 0.000 0.814 1188 E CB 0.059 29.820 29.700 0.103 0.000 0.752 1188 E HN 0.422 nan 8.360 nan 0.000 0.466 1189 L N 0.665 121.907 121.223 0.031 0.000 2.056 1189 L HA -0.110 4.226 4.340 -0.007 0.000 0.207 1189 L C 2.133 179.008 176.870 0.008 0.000 1.078 1189 L CA 1.348 56.206 54.840 0.031 0.000 0.749 1189 L CB -0.091 42.007 42.059 0.066 0.000 0.901 1189 L HN 0.132 nan 8.230 nan 0.000 0.433 1190 I N -1.057 119.499 120.570 -0.022 0.000 2.500 1190 I HA -0.187 3.978 4.170 -0.007 0.000 0.252 1190 I C 2.422 178.498 176.117 -0.069 0.000 1.142 1190 I CA 0.607 61.891 61.300 -0.028 0.000 1.451 1190 I CB -0.262 37.723 38.000 -0.024 0.000 1.093 1190 I HN 0.350 nan 8.210 nan 0.000 0.430 1191 Q N 1.154 120.852 119.800 -0.169 0.000 1.990 1191 Q HA -0.182 4.154 4.340 -0.007 0.000 0.200 1191 Q C 2.382 178.349 176.000 -0.055 0.000 0.980 1191 Q CA 2.899 58.603 55.803 -0.165 0.000 0.832 1191 Q CB -0.539 28.025 28.738 -0.290 0.000 0.897 1191 Q HN 0.596 nan 8.270 nan 0.000 0.427 1192 T N -1.672 112.855 114.554 -0.045 0.000 2.759 1192 T HA -0.219 4.126 4.350 -0.007 0.000 0.269 1192 T C 1.674 176.403 174.700 0.048 0.000 1.042 1192 T CA 1.533 63.629 62.100 -0.007 0.000 1.140 1192 T CB -0.388 68.455 68.868 -0.043 0.000 0.864 1192 T HN 0.276 nan 8.240 nan 0.000 0.455 1193 E N 1.411 121.643 120.200 0.054 0.000 2.051 1193 E HA -0.144 4.202 4.350 -0.007 0.000 0.192 1193 E C 2.394 179.079 176.600 0.141 0.000 0.991 1193 E CA 1.295 57.775 56.400 0.134 0.000 0.799 1193 E CB -0.364 29.411 29.700 0.124 0.000 0.748 1193 E HN 0.489 nan 8.360 nan 0.000 0.449 1194 E N 0.159 120.403 120.200 0.073 0.000 2.065 1194 E HA -0.265 4.081 4.350 -0.007 0.000 0.201 1194 E C 2.257 178.897 176.600 0.067 0.000 1.016 1194 E CA 1.591 58.024 56.400 0.055 0.000 0.818 1194 E CB -0.358 29.355 29.700 0.023 0.000 0.749 1194 E HN 0.122 nan 8.360 nan 0.000 0.453 1195 R N 0.100 120.644 120.500 0.074 0.000 2.081 1195 R HA -0.173 4.163 4.340 -0.007 0.000 0.235 1195 R C 2.355 178.731 176.300 0.127 0.000 1.131 1195 R CA 1.306 57.457 56.100 0.086 0.000 0.960 1195 R CB -0.854 29.489 30.300 0.072 0.000 0.856 1195 R HN 0.220 nan 8.270 nan 0.000 0.436 1196 Y N 0.037 120.355 120.300 0.030 0.000 2.181 1196 Y HA -0.195 4.353 4.550 -0.003 0.000 0.288 1196 Y C 2.048 177.986 175.900 0.062 0.000 1.146 1196 Y CA 2.191 60.315 58.100 0.041 0.000 1.164 1196 Y CB -0.360 38.104 38.460 0.006 0.000 0.982 1196 Y HN 0.168 nan 8.280 nan 0.000 0.515 1197 M N 0.374 119.943 119.600 -0.051 0.000 2.175 1197 M HA -0.044 4.431 4.480 -0.007 0.000 0.264 1197 M C 2.251 178.508 176.300 -0.072 0.000 1.063 1197 M CA 1.927 57.152 55.300 -0.125 0.000 1.119 1197 M CB -0.705 31.890 32.600 -0.009 0.000 1.377 1197 M HN 0.305 nan 8.290 nan 0.000 0.415 1198 A N -0.176 122.643 122.820 -0.000 0.000 1.902 1198 A HA -0.184 4.131 4.320 -0.007 0.000 0.217 1198 A C 1.875 179.501 177.584 0.071 0.000 1.181 1198 A CA 2.127 54.184 52.037 0.034 0.000 0.623 1198 A CB -1.105 17.927 19.000 0.053 0.000 0.818 1198 A HN 0.533 nan 8.150 nan 0.000 0.443 1199 D N 0.149 120.612 120.400 0.105 0.000 2.149 1199 D HA -0.138 4.497 4.640 -0.007 0.000 0.198 1199 D C 1.937 178.392 176.300 0.258 0.000 0.990 1199 D CA 1.090 55.244 54.000 0.257 0.000 0.839 1199 D CB -0.349 40.621 40.800 0.284 0.000 0.948 1199 D HN 0.483 nan 8.370 nan 0.000 0.460 1200 L N 0.514 121.754 121.223 0.028 0.000 2.017 1200 L HA -0.185 4.150 4.340 -0.007 0.000 0.208 1200 L C 2.579 179.622 176.870 0.287 0.000 1.073 1200 L CA 1.021 55.919 54.840 0.097 0.000 0.745 1200 L CB -0.430 41.391 42.059 -0.397 0.000 0.894 1200 L HN 0.017 nan 8.230 nan 0.000 0.432 1201 Q N 0.038 119.902 119.800 0.107 0.000 2.046 1201 Q HA -0.216 4.120 4.340 -0.007 0.000 0.200 1201 Q C 2.348 178.386 176.000 0.065 0.000 0.975 1201 Q CA 1.440 57.294 55.803 0.085 0.000 0.836 1201 Q CB -0.548 28.206 28.738 0.027 0.000 0.896 1201 Q HN 0.512 nan 8.270 nan 0.000 0.428 1202 L N 0.660 121.909 121.223 0.043 0.000 2.089 1202 L HA -0.220 4.115 4.340 -0.007 0.000 0.213 1202 L C 2.220 179.024 176.870 -0.110 0.000 1.079 1202 L CA 1.117 55.931 54.840 -0.044 0.000 0.758 1202 L CB -0.220 41.825 42.059 -0.023 0.000 0.891 1202 L HN -0.013 nan 8.230 nan 0.000 0.433 1203 V N -0.673 119.240 119.914 -0.002 0.000 2.270 1203 V HA -0.264 3.851 4.120 -0.007 0.000 0.245 1203 V C 2.489 178.549 176.094 -0.057 0.000 1.043 1203 V CA 1.719 64.015 62.300 -0.007 0.000 1.014 1203 V CB -0.181 31.613 31.823 -0.049 0.000 0.645 1203 V HN 0.362 nan 8.190 nan 0.000 0.447 1204 V N -0.254 119.645 119.914 -0.024 0.000 2.392 1204 V HA -0.235 3.881 4.120 -0.007 0.000 0.249 1204 V C 2.522 178.553 176.094 -0.106 0.000 1.059 1204 V CA 1.860 64.108 62.300 -0.087 0.000 1.051 1204 V CB -0.617 31.215 31.823 0.015 0.000 0.658 1204 V HN 0.554 nan 8.190 nan 0.000 0.455 1205 E N 0.190 120.333 120.200 -0.096 0.000 1.998 1205 E HA -0.130 4.216 4.350 -0.007 0.000 0.195 1205 E C 2.343 178.825 176.600 -0.197 0.000 0.994 1205 E CA 1.372 57.699 56.400 -0.123 0.000 0.835 1205 E CB -0.843 28.788 29.700 -0.114 0.000 0.786 1205 E HN 0.392 nan 8.360 nan 0.000 0.467 1206 V N 0.516 120.237 119.914 -0.322 0.000 2.380 1206 V HA -0.246 3.870 4.120 -0.007 0.000 0.251 1206 V C 2.059 177.779 176.094 -0.623 0.000 1.063 1206 V CA 1.889 63.847 62.300 -0.571 0.000 1.055 1206 V CB -0.466 30.808 31.823 -0.914 0.000 0.657 1206 V HN 0.162 nan 8.190 nan 0.000 0.455 1207 F N -1.698 118.137 119.950 -0.191 0.000 2.536 1207 F HA 0.100 4.623 4.527 -0.007 0.000 0.278 1207 F C 2.447 178.168 175.800 -0.131 0.000 0.945 1207 F CA 0.721 58.635 58.000 -0.143 0.000 1.244 1207 F CB -0.403 38.531 39.000 -0.109 0.000 1.118 1207 F HN -0.127 nan 8.300 nan 0.000 0.725 1208 Q N 1.206 120.922 119.800 -0.139 0.000 2.046 1208 Q HA -0.180 4.156 4.340 -0.007 0.000 0.200 1208 Q C 1.959 177.812 176.000 -0.245 0.000 0.975 1208 Q CA 1.599 57.089 55.803 -0.522 0.000 0.836 1208 Q CB 0.045 28.198 28.738 -0.976 0.000 0.896 1208 Q HN 0.304 nan 8.270 nan 0.000 0.428 1209 K N -0.153 120.156 120.400 -0.152 0.000 2.032 1209 K HA -0.139 4.177 4.320 -0.007 0.000 0.209 1209 K C 2.230 178.834 176.600 0.006 0.000 1.048 1209 K CA 1.461 57.705 56.287 -0.071 0.000 0.927 1209 K CB -0.029 32.434 32.500 -0.061 0.000 0.712 1209 K HN 0.151 nan 8.250 nan 0.000 0.441 1210 R N 0.134 120.659 120.500 0.041 0.000 2.092 1210 R HA -0.017 4.319 4.340 -0.007 0.000 0.231 1210 R C 2.300 178.797 176.300 0.329 0.000 1.119 1210 R CA 1.248 57.444 56.100 0.159 0.000 0.970 1210 R CB -0.222 30.159 30.300 0.135 0.000 0.864 1210 R HN 0.260 nan 8.270 nan 0.000 0.440 1211 M N 0.150 119.945 119.600 0.325 0.000 2.175 1211 M HA -0.086 4.390 4.480 -0.007 0.000 0.264 1211 M C 2.531 179.004 176.300 0.289 0.000 1.063 1211 M CA 1.569 57.146 55.300 0.461 0.000 1.119 1211 M CB -0.337 32.547 32.600 0.473 0.000 1.377 1211 M HN 0.179 nan 8.290 nan 0.000 0.415 1212 A N 0.650 123.561 122.820 0.151 0.000 1.865 1212 A HA -0.173 4.143 4.320 -0.007 0.000 0.217 1212 A C 2.043 179.673 177.584 0.076 0.000 1.191 1212 A CA 2.295 54.383 52.037 0.084 0.000 0.623 1212 A CB -0.922 18.087 19.000 0.015 0.000 0.826 1212 A HN 0.451 nan 8.150 nan 0.000 0.444 1213 E N 0.126 120.372 120.200 0.077 0.000 2.150 1213 E HA -0.144 4.201 4.350 -0.007 0.000 0.193 1213 E C 2.443 179.065 176.600 0.036 0.000 0.985 1213 E CA 1.205 57.634 56.400 0.049 0.000 0.814 1213 E CB -0.989 28.740 29.700 0.049 0.000 0.752 1213 E HN 1.011 nan 8.360 nan 0.000 0.466 1214 S N 0.025 115.780 115.700 0.091 0.000 2.380 1214 S HA -0.155 4.310 4.470 -0.007 0.000 0.229 1214 S C 2.218 176.732 174.600 -0.142 0.000 1.043 1214 S CA 1.778 59.965 58.200 -0.021 0.000 1.038 1214 S CB -0.686 62.511 63.200 -0.004 0.000 0.872 1214 S HN 1.045 nan 8.310 nan 0.000 0.456 1215 G N -0.421 108.330 108.800 -0.082 0.000 2.194 1215 G HA2 -0.229 3.727 3.960 -0.007 0.000 0.236 1215 G HA3 -0.229 3.727 3.960 -0.007 0.000 0.236 1215 G C 0.497 175.252 174.900 -0.242 0.000 0.987 1215 G CA 0.239 45.230 45.100 -0.182 0.000 0.635 1215 G HN 0.549 nan 8.290 nan 0.000 0.520 1216 F N 0.405 120.284 119.950 -0.118 0.000 2.325 1216 F HA 0.416 4.937 4.527 -0.010 0.000 0.299 1216 F C 1.474 177.156 175.800 -0.197 0.000 1.090 1216 F CA 0.884 58.788 58.000 -0.160 0.000 1.392 1216 F CB 0.134 39.064 39.000 -0.117 0.000 1.053 1216 F HN 0.097 nan 8.300 nan 0.000 0.521 1217 L N -0.306 120.953 121.223 0.060 0.000 2.346 1217 L HA 0.364 4.700 4.340 -0.007 0.000 0.276 1217 L C 0.450 177.331 176.870 0.019 0.000 1.006 1217 L CA -0.845 54.006 54.840 0.018 0.000 0.817 1217 L CB 1.841 43.959 42.059 0.097 0.000 1.272 1217 L HN -0.105 nan 8.230 nan 0.000 0.421 1218 T N -2.189 112.366 114.554 0.002 0.000 2.788 1218 T HA 0.206 4.552 4.350 -0.007 0.000 0.280 1218 T C 0.889 175.608 174.700 0.032 0.000 0.984 1218 T CA -0.427 61.677 62.100 0.007 0.000 0.972 1218 T CB 0.918 69.784 68.868 -0.005 0.000 1.039 1218 T HN 0.682 nan 8.240 nan 0.000 0.530 1219 E N 0.763 120.980 120.200 0.029 0.000 2.077 1219 E HA -0.019 4.327 4.350 -0.007 0.000 0.193 1219 E C 2.339 178.972 176.600 0.054 0.000 0.989 1219 E CA 1.217 57.642 56.400 0.042 0.000 0.800 1219 E CB -0.745 28.973 29.700 0.031 0.000 0.746 1219 E HN 0.870 nan 8.360 nan 0.000 0.452 1220 G N 1.171 109.995 108.800 0.039 0.000 2.418 1220 G HA2 -0.290 3.665 3.960 -0.007 0.000 0.217 1220 G HA3 -0.290 3.665 3.960 -0.007 0.000 0.217 1220 G C 1.279 176.207 174.900 0.046 0.000 1.158 1220 G CA 0.726 45.849 45.100 0.039 0.000 0.771 1220 G HN 0.210 nan 8.290 nan 0.000 0.545 1221 E N -0.197 120.026 120.200 0.039 0.000 2.110 1221 E HA -0.082 4.264 4.350 -0.007 0.000 0.193 1221 E C 2.632 179.285 176.600 0.088 0.000 0.988 1221 E CA 0.757 57.180 56.400 0.038 0.000 0.804 1221 E CB -0.151 29.554 29.700 0.007 0.000 0.745 1221 E HN 0.260 nan 8.360 nan 0.000 0.458 1222 M N 0.373 120.053 119.600 0.134 0.000 2.108 1222 M HA -0.127 4.348 4.480 -0.007 0.000 0.261 1222 M C 2.455 178.917 176.300 0.269 0.000 1.066 1222 M CA 1.255 56.706 55.300 0.251 0.000 1.107 1222 M CB -0.926 31.795 32.600 0.202 0.000 1.356 1222 M HN 0.128 nan 8.290 nan 0.000 0.406 1223 A N -0.024 122.895 122.820 0.166 0.000 1.930 1223 A HA -0.100 4.216 4.320 -0.007 0.000 0.217 1223 A C 2.299 179.958 177.584 0.125 0.000 1.175 1223 A CA 1.116 53.246 52.037 0.153 0.000 0.627 1223 A CB -0.816 18.245 19.000 0.103 0.000 0.815 1223 A HN 0.451 nan 8.150 nan 0.000 0.443 1224 L N -0.582 120.687 121.223 0.076 0.000 2.093 1224 L HA -0.167 4.169 4.340 -0.007 0.000 0.208 1224 L C 2.401 179.262 176.870 -0.013 0.000 1.085 1224 L CA 1.143 55.998 54.840 0.025 0.000 0.755 1224 L CB -0.356 41.707 42.059 0.006 0.000 0.904 1224 L HN 0.421 nan 8.230 nan 0.000 0.435 1225 I N -1.479 119.072 120.570 -0.032 0.000 2.188 1225 I HA -0.237 3.929 4.170 -0.007 0.000 0.237 1225 I C 1.884 177.850 176.117 -0.251 0.000 1.073 1225 I CA 1.416 62.574 61.300 -0.236 0.000 1.359 1225 I CB -0.280 37.469 38.000 -0.418 0.000 1.083 1225 I HN 0.042 nan 8.210 nan 0.000 0.412 1226 F N 0.308 120.319 119.950 0.101 0.000 2.743 1226 F HA 0.070 4.600 4.527 0.006 0.000 0.297 1226 F C 1.559 177.587 175.800 0.379 0.000 1.131 1226 F CA -0.072 58.044 58.000 0.195 0.000 1.426 1226 F CB -0.586 38.454 39.000 0.066 0.000 1.116 1226 F HN -0.179 nan 8.300 nan 0.000 0.583 1227 V N 0.429 120.571 119.914 0.381 0.000 0.690 1227 V HA -0.489 3.626 4.120 -0.007 0.000 0.092 1227 V C 1.140 177.455 176.094 0.368 0.000 0.785 1227 V CA 1.894 64.391 62.300 0.327 0.000 3.100 1227 V CB -1.336 30.665 31.823 0.297 0.000 0.192 1227 V HN 0.612 nan 8.190 nan 0.000 0.093 1228 N N 0.295 119.234 118.700 0.398 0.000 2.451 1228 N HA -0.018 4.717 4.740 -0.007 0.000 0.264 1228 N C 1.014 176.622 175.510 0.163 0.000 1.167 1228 N CA 0.277 53.473 53.050 0.243 0.000 0.898 1228 N CB -0.353 38.224 38.487 0.149 0.000 1.176 1228 N HN 0.913 nan 8.380 nan 0.000 0.507 1229 W N 1.581 122.905 121.300 0.042 0.000 2.290 1229 W HA -0.401 4.249 4.660 -0.015 0.000 0.318 1229 W C 1.850 178.290 176.519 -0.132 0.000 1.248 1229 W CA 3.271 60.540 57.345 -0.126 0.000 1.263 1229 W CB -0.146 29.348 29.460 0.057 0.000 1.147 1229 W HN 0.449 nan 8.180 nan 0.000 0.494 1230 K N 0.585 121.054 120.400 0.116 0.000 2.147 1230 K HA -0.214 4.101 4.320 -0.007 0.000 0.205 1230 K C 1.726 178.283 176.600 -0.071 0.000 1.049 1230 K CA 1.805 58.107 56.287 0.024 0.000 0.936 1230 K CB -0.981 31.559 32.500 0.066 0.000 0.722 1230 K HN 0.499 nan 8.250 nan 0.000 0.446 1231 E N 0.117 120.270 120.200 -0.079 0.000 2.106 1231 E HA -0.028 4.318 4.350 -0.007 0.000 0.192 1231 E C 2.123 178.618 176.600 -0.174 0.000 0.984 1231 E CA 0.965 57.312 56.400 -0.088 0.000 0.806 1231 E CB -0.230 29.441 29.700 -0.049 0.000 0.750 1231 E HN 0.533 nan 8.360 nan 0.000 0.458 1232 L N 0.795 121.800 121.223 -0.363 0.000 2.012 1232 L HA -0.217 4.118 4.340 -0.007 0.000 0.210 1232 L C 2.512 179.203 176.870 -0.298 0.000 1.073 1232 L CA 1.067 55.595 54.840 -0.520 0.000 0.748 1232 L CB -0.601 40.875 42.059 -0.971 0.000 0.891 1232 L HN 0.182 nan 8.230 nan 0.000 0.431 1233 I N -0.436 119.933 120.570 -0.335 0.000 2.163 1233 I HA -0.340 3.826 4.170 -0.007 0.000 0.243 1233 I C 2.726 178.789 176.117 -0.090 0.000 1.085 1233 I CA 1.612 62.787 61.300 -0.207 0.000 1.347 1233 I CB -0.262 37.640 38.000 -0.164 0.000 1.044 1233 I HN 0.297 nan 8.210 nan 0.000 0.408 1234 M N 0.463 120.020 119.600 -0.072 0.000 2.065 1234 M HA -0.192 4.283 4.480 -0.007 0.000 0.259 1234 M C 2.562 178.861 176.300 -0.002 0.000 1.069 1234 M CA 2.282 57.564 55.300 -0.030 0.000 1.110 1234 M CB -0.543 32.043 32.600 -0.024 0.000 1.328 1234 M HN 0.255 nan 8.290 nan 0.000 0.405 1235 S N 0.551 116.262 115.700 0.019 0.000 2.419 1235 S HA -0.121 4.345 4.470 -0.007 0.000 0.235 1235 S C 1.331 175.987 174.600 0.094 0.000 1.019 1235 S CA 1.653 59.899 58.200 0.076 0.000 0.982 1235 S CB -0.696 62.596 63.200 0.154 0.000 0.789 1235 S HN 0.477 nan 8.310 nan 0.000 0.490 1236 N N 0.478 119.243 118.700 0.107 0.000 2.392 1236 N HA 0.144 4.880 4.740 -0.007 0.000 0.177 1236 N C 1.475 177.027 175.510 0.069 0.000 1.066 1236 N CA 0.741 53.867 53.050 0.127 0.000 0.895 1236 N CB -0.365 38.261 38.487 0.232 0.000 0.988 1236 N HN 0.277 nan 8.380 nan 0.000 0.457 1237 T N 0.095 114.667 114.554 0.030 0.000 2.720 1237 T HA -0.148 4.197 4.350 -0.007 0.000 0.268 1237 T C 1.981 176.689 174.700 0.014 0.000 1.037 1237 T CA 1.217 63.325 62.100 0.014 0.000 1.144 1237 T CB -0.043 68.823 68.868 -0.003 0.000 0.864 1237 T HN 0.149 nan 8.240 nan 0.000 0.444 1238 K N 0.934 121.340 120.400 0.010 0.000 2.097 1238 K HA 0.074 4.389 4.320 -0.007 0.000 0.205 1238 K C 2.191 178.793 176.600 0.004 0.000 1.050 1238 K CA 0.671 56.956 56.287 -0.003 0.000 0.938 1238 K CB -1.004 31.483 32.500 -0.021 0.000 0.718 1238 K HN 0.299 nan 8.250 nan 0.000 0.442 1239 L N 0.525 121.759 121.223 0.018 0.000 2.056 1239 L HA 0.086 4.422 4.340 -0.007 0.000 0.207 1239 L C 2.120 179.008 176.870 0.030 0.000 1.078 1239 L CA 1.510 56.361 54.840 0.018 0.000 0.749 1239 L CB -0.821 41.249 42.059 0.020 0.000 0.901 1239 L HN 0.165 nan 8.230 nan 0.000 0.433 1240 L N -0.200 121.050 121.223 0.045 0.000 2.017 1240 L HA -0.204 4.132 4.340 -0.007 0.000 0.208 1240 L C 2.526 179.413 176.870 0.028 0.000 1.073 1240 L CA 1.887 56.754 54.840 0.045 0.000 0.745 1240 L CB -0.755 41.335 42.059 0.051 0.000 0.894 1240 L HN 0.262 nan 8.230 nan 0.000 0.432 1241 K N -0.973 119.439 120.400 0.020 0.000 2.097 1241 K HA -0.051 4.265 4.320 -0.007 0.000 0.205 1241 K C 2.028 178.635 176.600 0.012 0.000 1.050 1241 K CA 1.203 57.498 56.287 0.013 0.000 0.938 1241 K CB -0.343 32.161 32.500 0.007 0.000 0.718 1241 K HN 0.437 nan 8.250 nan 0.000 0.442 1242 A N 0.616 123.441 122.820 0.009 0.000 2.070 1242 A HA -0.108 4.207 4.320 -0.007 0.000 0.220 1242 A C 1.870 179.461 177.584 0.013 0.000 1.159 1242 A CA 1.222 53.263 52.037 0.007 0.000 0.656 1242 A CB -0.384 18.616 19.000 0.000 0.000 0.800 1242 A HN 0.190 nan 8.150 nan 0.000 0.453 1243 L N -2.172 119.062 121.223 0.018 0.000 2.357 1243 L HA 0.053 4.389 4.340 -0.007 0.000 0.211 1243 L C 2.671 179.557 176.870 0.026 0.000 1.075 1243 L CA 0.392 55.246 54.840 0.024 0.000 0.830 1243 L CB -0.296 41.781 42.059 0.030 0.000 0.996 1243 L HN 0.274 nan 8.230 nan 0.000 0.467 1244 R N -0.307 120.207 120.500 0.024 0.000 2.092 1244 R HA -0.081 4.255 4.340 -0.007 0.000 0.231 1244 R C 2.190 178.504 176.300 0.022 0.000 1.119 1244 R CA 0.969 57.083 56.100 0.024 0.000 0.970 1244 R CB -0.315 29.997 30.300 0.021 0.000 0.864 1244 R HN 0.119 nan 8.270 nan 0.000 0.440 1245 V N 0.886 120.811 119.914 0.018 0.000 2.515 1245 V HA -0.175 3.940 4.120 -0.007 0.000 0.250 1245 V C 2.152 178.257 176.094 0.019 0.000 1.058 1245 V CA 1.553 63.863 62.300 0.016 0.000 1.064 1245 V CB -0.393 31.437 31.823 0.012 0.000 0.675 1245 V HN 0.164 nan 8.190 nan 0.000 0.461 1246 R N 1.319 121.831 120.500 0.021 0.000 2.307 1246 R HA 0.114 4.450 4.340 -0.007 0.000 0.199 1246 R C 0.955 177.273 176.300 0.030 0.000 1.000 1246 R CA 0.878 56.992 56.100 0.024 0.000 1.023 1246 R CB -0.638 29.676 30.300 0.025 0.000 0.908 1246 R HN 0.527 nan 8.270 nan 0.000 0.473 1257 Q N 6.371 126.234 119.800 0.105 0.000 2.352 1257 Q HA 0.575 4.911 4.340 -0.007 0.000 0.212 1257 Q C 0.408 176.537 176.000 0.215 0.000 0.888 1257 Q CA 0.955 56.868 55.803 0.184 0.000 0.934 1257 Q CB 0.672 29.493 28.738 0.138 0.000 1.093 1257 Q HN 0.695 nan 8.270 nan 0.000 0.523 1258 M N -0.364 119.305 119.600 0.115 0.000 2.224 1258 M HA 0.557 5.033 4.480 -0.007 0.000 0.281 1258 M C -0.388 175.936 176.300 0.040 0.000 1.025 1258 M CA -0.210 55.139 55.300 0.083 0.000 0.954 1258 M CB 2.037 34.686 32.600 0.081 0.000 1.639 1258 M HN 0.345 nan 8.290 nan 0.000 0.461 1259 I N 0.385 120.963 120.570 0.013 0.000 5.007 1259 I HA 0.176 4.342 4.170 -0.007 0.000 0.323 1259 I C 1.748 177.855 176.117 -0.017 0.000 1.195 1259 I CA 0.629 61.930 61.300 0.002 0.000 1.407 1259 I CB 0.657 38.659 38.000 0.003 0.000 1.544 1259 I HN 0.820 nan 8.210 nan 0.000 0.505 1260 G N 1.902 110.682 108.800 -0.034 0.000 2.507 1260 G HA2 -0.341 3.615 3.960 -0.007 0.000 0.221 1260 G HA3 -0.341 3.615 3.960 -0.007 0.000 0.221 1260 G C 1.140 176.016 174.900 -0.040 0.000 1.119 1260 G CA 1.588 46.658 45.100 -0.050 0.000 0.751 1260 G HN 0.600 nan 8.290 nan 0.000 0.574 1261 D N 1.014 121.402 120.400 -0.021 0.000 2.084 1261 D HA -0.107 4.529 4.640 -0.007 0.000 0.196 1261 D C 2.534 178.827 176.300 -0.013 0.000 0.985 1261 D CA 0.650 54.642 54.000 -0.013 0.000 0.826 1261 D CB -0.693 40.107 40.800 0.001 0.000 0.978 1261 D HN 0.412 nan 8.370 nan 0.000 0.456 1262 I N 0.736 121.300 120.570 -0.010 0.000 2.145 1262 I HA -0.301 3.864 4.170 -0.007 0.000 0.244 1262 I C 2.754 178.854 176.117 -0.029 0.000 1.075 1262 I CA 1.139 62.433 61.300 -0.011 0.000 1.332 1262 I CB -0.259 37.737 38.000 -0.006 0.000 1.033 1262 I HN -0.019 nan 8.210 nan 0.000 0.410 1263 L N 0.081 121.275 121.223 -0.049 0.000 2.044 1263 L HA -0.137 4.198 4.340 -0.007 0.000 0.205 1263 L C 2.857 179.668 176.870 -0.100 0.000 1.075 1263 L CA 1.181 55.967 54.840 -0.091 0.000 0.747 1263 L CB -0.739 41.263 42.059 -0.095 0.000 0.903 1263 L HN 0.231 nan 8.230 nan 0.000 0.435 1264 A N 0.130 122.904 122.820 -0.075 0.000 1.940 1264 A HA -0.181 4.135 4.320 -0.007 0.000 0.219 1264 A C 2.480 180.025 177.584 -0.065 0.000 1.176 1264 A CA 1.871 53.862 52.037 -0.077 0.000 0.631 1264 A CB -0.580 18.384 19.000 -0.060 0.000 0.814 1264 A HN 0.424 nan 8.150 nan 0.000 0.446 1265 A N -0.522 122.286 122.820 -0.021 0.000 1.840 1265 A HA -0.061 4.254 4.320 -0.007 0.000 0.214 1265 A C 1.967 179.624 177.584 0.121 0.000 1.198 1265 A CA 1.454 53.521 52.037 0.050 0.000 0.608 1265 A CB -0.434 18.613 19.000 0.079 0.000 0.839 1265 A HN 0.402 nan 8.150 nan 0.000 0.443 1266 E N 0.361 120.604 120.200 0.072 0.000 2.077 1266 E HA -0.119 4.226 4.350 -0.007 0.000 0.193 1266 E C 1.907 178.508 176.600 0.002 0.000 0.989 1266 E CA 0.787 57.239 56.400 0.086 0.000 0.800 1266 E CB -0.507 29.183 29.700 -0.017 0.000 0.746 1266 E HN 0.623 nan 8.360 nan 0.000 0.452 1267 L N 1.504 122.651 121.223 -0.126 0.000 2.549 1267 L HA -0.087 4.248 4.340 -0.007 0.000 0.230 1267 L C 1.814 178.582 176.870 -0.171 0.000 1.162 1267 L CA 0.941 55.655 54.840 -0.210 0.000 0.834 1267 L CB -0.303 41.601 42.059 -0.259 0.000 0.947 1267 L HN 0.085 nan 8.230 nan 0.000 0.452 1268 S N -3.689 111.893 115.700 -0.196 0.000 2.554 1268 S HA 0.054 4.519 4.470 -0.007 0.000 0.226 1268 S C 0.590 174.930 174.600 -0.434 0.000 0.980 1268 S CA -0.426 57.592 58.200 -0.303 0.000 0.939 1268 S CB -0.183 62.809 63.200 -0.347 0.000 0.832 1268 S HN 0.451 nan 8.310 nan 0.000 0.486 1269 H N 0.849 119.899 119.070 -0.033 0.000 2.502 1269 H HA 0.447 4.999 4.556 -0.007 0.000 0.268 1269 H C 0.302 175.643 175.328 0.021 0.000 1.177 1269 H CA -0.350 55.694 56.048 -0.005 0.000 0.961 1269 H CB 0.259 30.017 29.762 -0.007 0.000 1.737 1269 H HN 0.242 nan 8.280 nan 0.000 0.569 1270 M N 0.707 120.356 119.600 0.082 0.000 2.560 1270 M HA 0.071 4.546 4.480 -0.007 0.000 0.297 1270 M C 1.028 177.442 176.300 0.189 0.000 1.201 1270 M CA 0.087 55.471 55.300 0.139 0.000 0.973 1270 M CB 0.574 33.176 32.600 0.004 0.000 1.401 1270 M HN 0.380 nan 8.290 nan 0.000 0.497 1271 Q N 0.488 120.367 119.800 0.131 0.000 2.152 1271 Q HA -0.130 4.205 4.340 -0.007 0.000 0.206 1271 Q C 2.080 178.166 176.000 0.143 0.000 0.985 1271 Q CA 1.858 57.731 55.803 0.116 0.000 0.863 1271 Q CB -0.884 27.903 28.738 0.082 0.000 0.904 1271 Q HN 0.576 nan 8.270 nan 0.000 0.422 1272 A N 0.442 123.346 122.820 0.140 0.000 1.958 1272 A HA -0.235 4.080 4.320 -0.007 0.000 0.221 1272 A C 1.877 179.508 177.584 0.078 0.000 1.178 1272 A CA 1.567 53.649 52.037 0.076 0.000 0.642 1272 A CB -0.917 18.081 19.000 -0.004 0.000 0.816 1272 A HN 0.408 nan 8.150 nan 0.000 0.453 1273 Y N -0.852 119.506 120.300 0.097 0.000 2.263 1273 Y HA -0.099 4.447 4.550 -0.006 0.000 0.292 1273 Y C 2.151 178.147 175.900 0.161 0.000 1.130 1273 Y CA 1.193 59.380 58.100 0.145 0.000 1.179 1273 Y CB -0.297 38.227 38.460 0.107 0.000 0.998 1273 Y HN 0.245 nan 8.280 nan 0.000 0.532 1274 I N -0.030 120.689 120.570 0.248 0.000 2.163 1274 I HA -0.322 3.844 4.170 -0.007 0.000 0.243 1274 I C 2.585 178.781 176.117 0.133 0.000 1.085 1274 I CA 1.567 62.963 61.300 0.160 0.000 1.347 1274 I CB -0.515 37.549 38.000 0.108 0.000 1.044 1274 I HN 0.063 nan 8.210 nan 0.000 0.408 1275 R N 0.177 120.755 120.500 0.130 0.000 2.073 1275 R HA -0.236 4.099 4.340 -0.007 0.000 0.234 1275 R C 2.449 178.829 176.300 0.133 0.000 1.134 1275 R CA 1.725 57.891 56.100 0.110 0.000 0.952 1275 R CB -0.536 29.826 30.300 0.104 0.000 0.850 1275 R HN 0.271 nan 8.270 nan 0.000 0.433 1276 F N 0.936 120.905 119.950 0.031 0.000 2.075 1276 F HA -0.234 4.290 4.527 -0.006 0.000 0.297 1276 F C 2.185 178.026 175.800 0.068 0.000 1.113 1276 F CA 1.611 59.634 58.000 0.038 0.000 1.218 1276 F CB -0.628 38.353 39.000 -0.030 0.000 0.984 1276 F HN 0.097 nan 8.300 nan 0.000 0.472 1277 C N 0.109 119.480 119.300 0.117 0.000 2.440 1277 C HA -0.123 4.333 4.460 -0.007 0.000 0.278 1277 C C 3.145 178.100 174.990 -0.058 0.000 1.295 1277 C CA 1.404 60.436 59.018 0.024 0.000 1.738 1277 C CB -1.583 26.257 27.740 0.168 0.000 1.987 1277 C HN 0.694 nan 8.230 nan 0.000 0.492 1278 S N -1.462 114.228 115.700 -0.018 0.000 2.515 1278 S HA -0.077 4.389 4.470 -0.007 0.000 0.231 1278 S C 1.222 175.786 174.600 -0.059 0.000 0.987 1278 S CA 1.356 59.542 58.200 -0.022 0.000 0.936 1278 S CB -0.536 62.670 63.200 0.010 0.000 0.766 1278 S HN 0.686 nan 8.310 nan 0.000 0.528 1279 C N 0.524 119.756 119.300 -0.113 0.000 3.403 1279 C HA 0.374 4.829 4.460 -0.007 0.000 0.317 1279 C C 2.467 177.339 174.990 -0.197 0.000 1.346 1279 C CA -0.442 58.505 59.018 -0.118 0.000 1.743 1279 C CB -0.359 27.338 27.740 -0.072 0.000 2.308 1279 C HN 0.610 nan 8.230 nan 0.000 0.675 1280 Q N 1.303 120.899 119.800 -0.340 0.000 2.050 1280 Q HA -0.114 4.222 4.340 -0.007 0.000 0.202 1280 Q C 2.043 177.915 176.000 -0.214 0.000 0.980 1280 Q CA 1.565 57.113 55.803 -0.426 0.000 0.840 1280 Q CB -0.203 28.147 28.738 -0.647 0.000 0.898 1280 Q HN 0.657 nan 8.270 nan 0.000 0.424 1281 L N 1.113 122.249 121.223 -0.146 0.000 2.131 1281 L HA -0.223 4.113 4.340 -0.007 0.000 0.210 1281 L C 2.109 178.934 176.870 -0.075 0.000 1.092 1281 L CA 0.893 55.678 54.840 -0.091 0.000 0.759 1281 L CB -0.664 41.358 42.059 -0.062 0.000 0.903 1281 L HN 0.232 nan 8.230 nan 0.000 0.435 1282 N N 0.662 119.318 118.700 -0.074 0.000 2.104 1282 N HA -0.147 4.588 4.740 -0.007 0.000 0.190 1282 N C 1.899 177.372 175.510 -0.061 0.000 1.024 1282 N CA 1.618 54.634 53.050 -0.056 0.000 0.853 1282 N CB -0.666 37.794 38.487 -0.046 0.000 1.008 1282 N HN 0.366 nan 8.380 nan 0.000 0.424 1283 G N 0.654 109.402 108.800 -0.086 0.000 2.440 1283 G HA2 -0.180 3.776 3.960 -0.007 0.000 0.218 1283 G HA3 -0.180 3.776 3.960 -0.007 0.000 0.218 1283 G C 1.670 176.513 174.900 -0.095 0.000 1.154 1283 G CA 1.222 46.264 45.100 -0.097 0.000 0.767 1283 G HN 0.468 nan 8.290 nan 0.000 0.552 1284 A N 1.062 123.825 122.820 -0.094 0.000 1.898 1284 A HA 0.342 4.658 4.320 -0.007 0.000 0.216 1284 A C 2.809 180.362 177.584 -0.051 0.000 1.181 1284 A CA 2.094 54.084 52.037 -0.079 0.000 0.620 1284 A CB -0.726 18.231 19.000 -0.071 0.000 0.819 1284 A HN 0.756 nan 8.150 nan 0.000 0.442 1285 A N -0.392 122.402 122.820 -0.043 0.000 1.902 1285 A HA -0.017 4.299 4.320 -0.007 0.000 0.217 1285 A C 2.141 179.715 177.584 -0.016 0.000 1.181 1285 A CA 1.720 53.741 52.037 -0.026 0.000 0.623 1285 A CB -0.599 18.386 19.000 -0.024 0.000 0.818 1285 A HN 0.727 nan 8.150 nan 0.000 0.443 1286 L N -0.831 120.379 121.223 -0.022 0.000 2.027 1286 L HA -0.076 4.260 4.340 -0.007 0.000 0.206 1286 L C 2.204 179.082 176.870 0.013 0.000 1.074 1286 L CA 1.985 56.818 54.840 -0.011 0.000 0.745 1286 L CB -0.637 41.411 42.059 -0.020 0.000 0.898 1286 L HN 0.293 nan 8.230 nan 0.000 0.433 1287 L N -0.479 120.749 121.223 0.010 0.000 2.127 1287 L HA -0.235 4.101 4.340 -0.007 0.000 0.211 1287 L C 2.511 179.428 176.870 0.079 0.000 1.089 1287 L CA 1.884 56.765 54.840 0.067 0.000 0.757 1287 L CB -0.723 41.328 42.059 -0.013 0.000 0.899 1287 L HN 0.499 nan 8.230 nan 0.000 0.434 1288 Q N -0.688 119.128 119.800 0.025 0.000 1.990 1288 Q HA -0.190 4.145 4.340 -0.007 0.000 0.200 1288 Q C 2.211 178.238 176.000 0.045 0.000 0.980 1288 Q CA 1.903 57.720 55.803 0.023 0.000 0.832 1288 Q CB -0.274 28.463 28.738 -0.001 0.000 0.897 1288 Q HN 0.605 nan 8.270 nan 0.000 0.427 1289 Q N -0.002 119.819 119.800 0.033 0.000 1.998 1289 Q HA -0.262 4.074 4.340 -0.007 0.000 0.209 1289 Q C 2.148 178.184 176.000 0.060 0.000 1.002 1289 Q CA 1.926 57.748 55.803 0.033 0.000 0.858 1289 Q CB -0.293 28.454 28.738 0.015 0.000 0.932 1289 Q HN 0.118 nan 8.270 nan 0.000 0.416 1290 K N -0.026 120.414 120.400 0.067 0.000 2.127 1290 K HA -0.175 4.141 4.320 -0.007 0.000 0.208 1290 K C 2.026 178.779 176.600 0.256 0.000 1.047 1290 K CA 1.975 58.307 56.287 0.075 0.000 0.927 1290 K CB -0.336 32.162 32.500 -0.004 0.000 0.716 1290 K HN 0.186 nan 8.250 nan 0.000 0.450 1291 T N 0.663 115.387 114.554 0.284 0.000 2.809 1291 T HA -0.071 4.275 4.350 -0.007 0.000 0.260 1291 T C 1.054 175.825 174.700 0.118 0.000 1.039 1291 T CA 1.302 63.537 62.100 0.224 0.000 1.141 1291 T CB -0.301 68.609 68.868 0.070 0.000 0.869 1291 T HN 0.248 nan 8.240 nan 0.000 0.437 1292 D N 1.556 122.003 120.400 0.079 0.000 2.158 1292 D HA -0.129 4.507 4.640 -0.007 0.000 0.197 1292 D C 2.190 178.526 176.300 0.059 0.000 0.995 1292 D CA 1.175 55.205 54.000 0.051 0.000 0.846 1292 D CB -0.217 40.604 40.800 0.035 0.000 0.941 1292 D HN 0.733 nan 8.370 nan 0.000 0.456 1293 E N -0.382 119.863 120.200 0.076 0.000 2.400 1293 E HA -0.050 4.296 4.350 -0.007 0.000 0.195 1293 E C -0.039 176.614 176.600 0.088 0.000 1.012 1293 E CA 0.154 56.593 56.400 0.066 0.000 0.875 1293 E CB 0.404 30.134 29.700 0.050 0.000 0.859 1293 E HN -0.087 nan 8.360 nan 0.000 0.498 1294 D N 0.622 121.101 120.400 0.131 0.000 2.421 1294 D HA 0.141 4.777 4.640 -0.007 0.000 0.254 1294 D C 0.165 176.562 176.300 0.162 0.000 1.238 1294 D CA -0.348 53.753 54.000 0.169 0.000 0.919 1294 D CB 1.673 42.614 40.800 0.235 0.000 1.152 1294 D HN -0.166 nan 8.370 nan 0.000 0.552 1295 T N 1.895 116.517 114.554 0.114 0.000 2.759 1295 T HA -0.139 4.207 4.350 -0.007 0.000 0.269 1295 T C 1.066 175.818 174.700 0.086 0.000 1.042 1295 T CA 1.072 63.220 62.100 0.079 0.000 1.140 1295 T CB 0.158 69.065 68.868 0.066 0.000 0.864 1295 T HN 0.408 nan 8.240 nan 0.000 0.455 1296 D N 0.488 120.979 120.400 0.152 0.000 2.097 1296 D HA -0.038 4.597 4.640 -0.007 0.000 0.197 1296 D C 1.740 178.069 176.300 0.048 0.000 0.984 1296 D CA 0.691 54.809 54.000 0.196 0.000 0.826 1296 D CB -0.469 40.553 40.800 0.369 0.000 0.973 1296 D HN 0.308 nan 8.370 nan 0.000 0.460 1297 F N 2.138 121.952 119.950 -0.226 0.000 2.134 1297 F HA -0.143 4.378 4.527 -0.010 0.000 0.299 1297 F C 2.150 177.801 175.800 -0.249 0.000 1.097 1297 F CA 1.352 58.975 58.000 -0.628 0.000 1.264 1297 F CB -0.172 38.636 39.000 -0.319 0.000 1.001 1297 F HN -0.200 nan 8.300 nan 0.000 0.479 1298 K N 0.305 120.563 120.400 -0.238 0.000 2.026 1298 K HA -0.200 4.116 4.320 -0.007 0.000 0.208 1298 K C 2.263 178.726 176.600 -0.228 0.000 1.048 1298 K CA 1.942 58.055 56.287 -0.289 0.000 0.929 1298 K CB -0.410 32.022 32.500 -0.112 0.000 0.713 1298 K HN 0.382 nan 8.250 nan 0.000 0.439 1299 E N 0.662 120.800 120.200 -0.103 0.000 2.153 1299 E HA -0.204 4.142 4.350 -0.007 0.000 0.194 1299 E C 1.600 178.171 176.600 -0.047 0.000 0.988 1299 E CA 1.359 57.729 56.400 -0.050 0.000 0.811 1299 E CB -0.962 28.748 29.700 0.016 0.000 0.746 1299 E HN 0.504 nan 8.360 nan 0.000 0.466 1300 F N 0.676 120.489 119.950 -0.227 0.000 2.134 1300 F HA 0.007 4.527 4.527 -0.012 0.000 0.299 1300 F C 2.144 177.822 175.800 -0.203 0.000 1.097 1300 F CA 1.428 59.305 58.000 -0.205 0.000 1.264 1300 F CB -0.203 38.600 39.000 -0.327 0.000 1.001 1300 F HN 0.161 nan 8.300 nan 0.000 0.479 1301 L N 0.203 121.076 121.223 -0.583 0.000 2.056 1301 L HA -0.204 4.131 4.340 -0.007 0.000 0.207 1301 L C 2.446 179.136 176.870 -0.301 0.000 1.078 1301 L CA 1.462 55.966 54.840 -0.561 0.000 0.749 1301 L CB -0.558 41.165 42.059 -0.560 0.000 0.901 1301 L HN 0.102 nan 8.230 nan 0.000 0.433 1302 K N 0.146 120.407 120.400 -0.232 0.000 2.217 1302 K HA -0.151 4.164 4.320 -0.007 0.000 0.202 1302 K C 2.440 178.975 176.600 -0.109 0.000 1.051 1302 K CA 1.328 57.543 56.287 -0.120 0.000 0.952 1302 K CB -0.166 32.278 32.500 -0.093 0.000 0.736 1302 K HN 0.268 nan 8.250 nan 0.000 0.453 1303 K N 1.872 122.180 120.400 -0.153 0.000 2.002 1303 K HA -0.096 4.219 4.320 -0.007 0.000 0.209 1303 K C 2.049 178.543 176.600 -0.177 0.000 1.048 1303 K CA 1.427 57.639 56.287 -0.124 0.000 0.930 1303 K CB -1.254 31.204 32.500 -0.070 0.000 0.714 1303 K HN 0.082 nan 8.250 nan 0.000 0.438 1304 L N 0.174 121.217 121.223 -0.299 0.000 2.043 1304 L HA -0.194 4.141 4.340 -0.007 0.000 0.212 1304 L C 3.066 179.733 176.870 -0.337 0.000 1.075 1304 L CA 1.409 56.034 54.840 -0.358 0.000 0.752 1304 L CB -0.687 41.127 42.059 -0.407 0.000 0.891 1304 L HN 0.472 nan 8.230 nan 0.000 0.432 1305 A N 0.016 122.783 122.820 -0.088 0.000 2.125 1305 A HA -0.169 4.147 4.320 -0.007 0.000 0.219 1305 A C 2.446 180.007 177.584 -0.039 0.000 1.156 1305 A CA 1.577 53.637 52.037 0.038 0.000 0.671 1305 A CB -0.558 18.556 19.000 0.189 0.000 0.794 1305 A HN 0.559 nan 8.150 nan 0.000 0.459 1306 S N -0.025 115.628 115.700 -0.078 0.000 2.515 1306 S HA -0.085 4.380 4.470 -0.007 0.000 0.231 1306 S C 0.723 175.280 174.600 -0.072 0.000 0.987 1306 S CA 0.413 58.580 58.200 -0.055 0.000 0.936 1306 S CB -0.525 62.645 63.200 -0.050 0.000 0.766 1306 S HN 0.568 nan 8.310 nan 0.000 0.528 1307 D N 3.035 123.358 120.400 -0.130 0.000 2.493 1307 D HA 0.063 4.699 4.640 -0.007 0.000 0.240 1307 D C -1.642 174.610 176.300 -0.080 0.000 1.142 1307 D CA -1.355 52.566 54.000 -0.133 0.000 0.872 1307 D CB 1.182 41.847 40.800 -0.224 0.000 1.173 1307 D HN 0.053 nan 8.370 nan 0.000 0.467 1308 P HA -0.120 nan 4.420 nan 0.000 0.220 1308 P C 0.961 178.258 177.300 -0.006 0.000 1.144 1308 P CA 1.169 64.256 63.100 -0.022 0.000 0.800 1308 P CB 0.212 31.900 31.700 -0.021 0.000 0.772 1309 R N -1.608 118.875 120.500 -0.027 0.000 2.153 1309 R HA -0.007 4.328 4.340 -0.007 0.000 0.218 1309 R C 2.081 178.424 176.300 0.071 0.000 1.072 1309 R CA 1.107 57.208 56.100 0.003 0.000 0.990 1309 R CB -1.060 29.218 30.300 -0.036 0.000 0.889 1309 R HN 0.248 nan 8.270 nan 0.000 0.452 1310 C N -0.060 119.277 119.300 0.062 0.000 2.464 1310 C HA 0.037 4.493 4.460 -0.007 0.000 0.278 1310 C C 0.849 175.984 174.990 0.241 0.000 1.375 1310 C CA -0.060 59.108 59.018 0.249 0.000 1.761 1310 C CB -0.144 27.710 27.740 0.190 0.000 1.944 1310 C HN 0.385 nan 8.230 nan 0.000 0.509 1311 K N -0.922 119.551 120.400 0.121 0.000 3.192 1311 K HA -0.116 4.200 4.320 -0.007 0.000 0.278 1311 K C 0.981 177.631 176.600 0.083 0.000 1.164 1311 K CA 1.062 57.401 56.287 0.086 0.000 0.816 1311 K CB -2.454 30.096 32.500 0.083 0.000 1.256 1311 K HN 1.620 nan 8.250 nan 0.000 0.497 1312 G N -1.545 107.309 108.800 0.090 0.000 2.234 1312 G HA2 -0.328 3.627 3.960 -0.007 0.000 0.260 1312 G HA3 -0.328 3.627 3.960 -0.007 0.000 0.260 1312 G C 0.144 175.117 174.900 0.122 0.000 0.987 1312 G CA 0.377 45.525 45.100 0.081 0.000 0.625 1312 G HN 0.447 nan 8.290 nan 0.000 0.532 1313 M N 2.010 121.724 119.600 0.190 0.000 2.246 1313 M HA 0.306 4.781 4.480 -0.007 0.000 0.350 1313 M C -1.858 174.661 176.300 0.364 0.000 1.406 1313 M CA -2.497 52.933 55.300 0.217 0.000 1.089 1313 M CB -0.012 32.672 32.600 0.141 0.000 1.782 1313 M HN 0.075 nan 8.290 nan 0.000 0.457 1314 P HA 0.130 nan 4.420 nan 0.000 0.276 1314 P C 0.858 178.164 177.300 0.010 0.000 1.252 1314 P CA -0.631 62.522 63.100 0.089 0.000 0.802 1314 P CB 0.649 32.337 31.700 -0.019 0.000 1.035 1315 L N 2.120 123.053 121.223 -0.483 0.000 2.013 1315 L HA -0.233 4.103 4.340 -0.007 0.000 0.212 1315 L C 2.247 178.953 176.870 -0.273 0.000 1.073 1315 L CA 2.836 57.181 54.840 -0.825 0.000 0.753 1315 L CB -1.798 39.596 42.059 -1.108 0.000 0.890 1315 L HN 0.486 nan 8.230 nan 0.000 0.432 1316 S N -1.199 114.374 115.700 -0.212 0.000 2.440 1316 S HA -0.230 4.236 4.470 -0.007 0.000 0.240 1316 S C 1.960 176.540 174.600 -0.035 0.000 1.014 1316 S CA 1.436 59.567 58.200 -0.115 0.000 0.980 1316 S CB -1.244 61.895 63.200 -0.102 0.000 0.775 1316 S HN 0.750 nan 8.310 nan 0.000 0.499 1317 S N 0.489 116.181 115.700 -0.013 0.000 2.425 1317 S HA 0.172 4.637 4.470 -0.007 0.000 0.225 1317 S C 1.443 175.997 174.600 -0.076 0.000 1.024 1317 S CA 0.169 58.333 58.200 -0.061 0.000 0.951 1317 S CB -0.858 62.263 63.200 -0.132 0.000 0.796 1317 S HN 0.480 nan 8.310 nan 0.000 0.498 1318 F N 1.870 121.828 119.950 0.013 0.000 2.367 1318 F HA 0.341 4.866 4.527 -0.002 0.000 0.298 1318 F C 1.917 177.858 175.800 0.235 0.000 1.094 1318 F CA 0.490 58.563 58.000 0.122 0.000 1.409 1318 F CB -0.387 38.666 39.000 0.089 0.000 1.064 1318 F HN 0.148 nan 8.300 nan 0.000 0.528 1319 L N -0.439 120.946 121.223 0.269 0.000 2.478 1319 L HA -0.103 4.233 4.340 -0.007 0.000 0.223 1319 L C 1.903 179.022 176.870 0.415 0.000 1.140 1319 L CA 0.491 55.547 54.840 0.361 0.000 0.842 1319 L CB -0.483 41.643 42.059 0.111 0.000 0.953 1319 L HN 0.212 nan 8.230 nan 0.000 0.452 1320 L N -0.620 120.756 121.223 0.255 0.000 2.240 1320 L HA -0.118 4.218 4.340 -0.007 0.000 0.211 1320 L C 2.386 179.405 176.870 0.248 0.000 1.106 1320 L CA 0.897 55.857 54.840 0.200 0.000 0.793 1320 L CB -0.369 41.746 42.059 0.093 0.000 0.927 1320 L HN 0.202 nan 8.230 nan 0.000 0.446 1321 K N 0.139 120.718 120.400 0.299 0.000 2.057 1321 K HA -0.119 4.197 4.320 -0.007 0.000 0.206 1321 K C -0.415 176.390 176.600 0.340 0.000 1.050 1321 K CA 1.139 57.600 56.287 0.289 0.000 0.935 1321 K CB -1.102 31.614 32.500 0.360 0.000 0.715 1321 K HN 0.209 nan 8.250 nan 0.000 0.439 1322 P HA -0.234 nan 4.420 nan 0.000 0.215 1322 P C 1.412 178.922 177.300 0.350 0.000 1.163 1322 P CA 1.467 64.834 63.100 0.446 0.000 0.894 1322 P CB 0.037 31.905 31.700 0.280 0.000 0.791 1323 M N -0.986 118.809 119.600 0.325 0.000 2.175 1323 M HA -0.152 4.323 4.480 -0.007 0.000 0.264 1323 M C 2.169 178.516 176.300 0.078 0.000 1.063 1323 M CA 1.770 57.197 55.300 0.212 0.000 1.119 1323 M CB -0.937 31.776 32.600 0.188 0.000 1.377 1323 M HN -0.169 nan 8.290 nan 0.000 0.415 1324 Q N -0.444 119.391 119.800 0.058 0.000 2.084 1324 Q HA -0.239 4.096 4.340 -0.007 0.000 0.202 1324 Q C 2.238 178.151 176.000 -0.143 0.000 0.978 1324 Q CA 1.763 57.551 55.803 -0.025 0.000 0.844 1324 Q CB -0.166 28.568 28.738 -0.007 0.000 0.898 1324 Q HN 0.420 nan 8.270 nan 0.000 0.426 1325 R N 0.792 121.150 120.500 -0.236 0.000 2.080 1325 R HA -0.152 4.184 4.340 -0.007 0.000 0.236 1325 R C 1.985 177.949 176.300 -0.560 0.000 1.137 1325 R CA 1.496 57.254 56.100 -0.570 0.000 0.943 1325 R CB -0.678 29.022 30.300 -1.000 0.000 0.846 1325 R HN 0.228 nan 8.270 nan 0.000 0.431 1326 I N 0.960 121.368 120.570 -0.270 0.000 2.194 1326 I HA -0.279 3.887 4.170 -0.007 0.000 0.246 1326 I C 2.034 178.115 176.117 -0.060 0.000 1.093 1326 I CA 2.348 63.599 61.300 -0.080 0.000 1.355 1326 I CB -1.834 36.137 38.000 -0.048 0.000 1.046 1326 I HN 0.433 nan 8.210 nan 0.000 0.413 1327 T N -2.082 112.420 114.554 -0.087 0.000 3.118 1327 T HA -0.086 4.260 4.350 -0.007 0.000 0.260 1327 T C 1.939 176.577 174.700 -0.103 0.000 1.139 1327 T CA 0.488 62.549 62.100 -0.066 0.000 1.085 1327 T CB -0.156 68.685 68.868 -0.045 0.000 0.934 1327 T HN 0.306 nan 8.240 nan 0.000 0.518 1328 R N -0.889 119.490 120.500 -0.201 0.000 2.156 1328 R HA 0.160 4.495 4.340 -0.007 0.000 0.207 1328 R C 1.741 177.924 176.300 -0.196 0.000 1.040 1328 R CA 0.197 56.160 56.100 -0.228 0.000 1.013 1328 R CB -0.175 29.937 30.300 -0.313 0.000 0.931 1328 R HN 0.485 nan 8.270 nan 0.000 0.465 1329 Y N 0.934 121.152 120.300 -0.136 0.000 2.069 1329 Y HA -0.206 4.339 4.550 -0.009 0.000 0.278 1329 Y C -0.689 175.146 175.900 -0.108 0.000 1.175 1329 Y CA 1.539 59.562 58.100 -0.129 0.000 1.134 1329 Y CB -1.156 37.213 38.460 -0.152 0.000 0.965 1329 Y HN 0.222 nan 8.280 nan 0.000 0.498 1330 P HA -0.188 nan 4.420 nan 0.000 0.216 1330 P C 1.374 178.650 177.300 -0.039 0.000 1.150 1330 P CA 1.564 64.660 63.100 -0.006 0.000 0.837 1330 P CB -0.098 31.591 31.700 -0.019 0.000 0.786 1331 L N -1.723 119.470 121.223 -0.050 0.000 2.027 1331 L HA -0.144 4.191 4.340 -0.007 0.000 0.206 1331 L C 2.501 179.315 176.870 -0.092 0.000 1.074 1331 L CA 1.285 56.082 54.840 -0.072 0.000 0.745 1331 L CB -1.004 41.014 42.059 -0.068 0.000 0.898 1331 L HN -0.050 nan 8.230 nan 0.000 0.433 1332 L N -0.323 120.861 121.223 -0.065 0.000 2.046 1332 L HA -0.230 4.105 4.340 -0.007 0.000 0.208 1332 L C 2.471 179.294 176.870 -0.078 0.000 1.077 1332 L CA 1.382 56.189 54.840 -0.054 0.000 0.747 1332 L CB -0.335 41.719 42.059 -0.008 0.000 0.896 1332 L HN 0.213 nan 8.230 nan 0.000 0.432 1333 I N -1.098 119.442 120.570 -0.050 0.000 2.315 1333 I HA -0.237 3.929 4.170 -0.007 0.000 0.248 1333 I C 2.704 178.750 176.117 -0.119 0.000 1.117 1333 I CA 0.824 62.082 61.300 -0.069 0.000 1.404 1333 I CB -0.388 37.581 38.000 -0.052 0.000 1.071 1333 I HN 0.214 nan 8.210 nan 0.000 0.419 1334 R N 0.658 121.082 120.500 -0.126 0.000 2.083 1334 R HA -0.128 4.208 4.340 -0.007 0.000 0.237 1334 R C 2.498 178.665 176.300 -0.221 0.000 1.137 1334 R CA 1.700 57.714 56.100 -0.143 0.000 0.951 1334 R CB -0.760 29.469 30.300 -0.119 0.000 0.851 1334 R HN 0.325 nan 8.270 nan 0.000 0.434 1335 S N 1.308 116.792 115.700 -0.359 0.000 2.353 1335 S HA -0.137 4.329 4.470 -0.007 0.000 0.222 1335 S C 2.118 176.386 174.600 -0.555 0.000 1.035 1335 S CA 1.284 59.046 58.200 -0.730 0.000 1.025 1335 S CB -0.298 62.013 63.200 -1.481 0.000 0.902 1335 S HN 0.220 nan 8.310 nan 0.000 0.440 1336 I N 0.957 121.334 120.570 -0.320 0.000 2.208 1336 I HA -0.189 3.976 4.170 -0.007 0.000 0.245 1336 I C 2.258 178.328 176.117 -0.078 0.000 1.097 1336 I CA 0.833 62.079 61.300 -0.089 0.000 1.363 1336 I CB -0.262 37.714 38.000 -0.039 0.000 1.051 1336 I HN 0.225 nan 8.210 nan 0.000 0.413 1337 L N 1.340 122.497 121.223 -0.110 0.000 2.141 1337 L HA -0.161 4.175 4.340 -0.007 0.000 0.209 1337 L C 2.647 179.501 176.870 -0.027 0.000 1.094 1337 L CA 2.429 57.218 54.840 -0.085 0.000 0.763 1337 L CB -1.206 40.781 42.059 -0.120 0.000 0.908 1337 L HN 0.334 nan 8.230 nan 0.000 0.437 1338 E N -0.785 119.383 120.200 -0.053 0.000 2.338 1338 E HA -0.133 4.213 4.350 -0.007 0.000 0.197 1338 E C 1.425 178.044 176.600 0.032 0.000 1.007 1338 E CA 1.391 57.783 56.400 -0.013 0.000 0.849 1338 E CB -0.742 28.930 29.700 -0.047 0.000 0.774 1338 E HN 0.713 nan 8.360 nan 0.000 0.506 1339 N N 0.021 118.744 118.700 0.038 0.000 2.338 1339 N HA 0.072 4.808 4.740 -0.007 0.000 0.251 1339 N C -0.825 174.728 175.510 0.072 0.000 1.199 1339 N CA 0.121 53.219 53.050 0.081 0.000 0.879 1339 N CB 1.576 40.148 38.487 0.141 0.000 1.159 1339 N HN 0.134 nan 8.380 nan 0.000 0.514 1340 T N 2.225 116.814 114.554 0.059 0.000 3.009 1340 T HA 0.322 4.667 4.350 -0.007 0.000 0.346 1340 T C -2.637 172.174 174.700 0.186 0.000 1.092 1340 T CA -1.165 60.963 62.100 0.047 0.000 1.080 1340 T CB 2.468 71.269 68.868 -0.112 0.000 1.037 1340 T HN -0.026 nan 8.240 nan 0.000 0.487 1341 P HA 0.359 nan 4.420 nan 0.000 0.274 1341 P C 1.207 178.380 177.300 -0.212 0.000 1.256 1341 P CA -0.180 62.922 63.100 0.003 0.000 0.795 1341 P CB 0.537 32.250 31.700 0.022 0.000 1.038 1342 E N 0.393 120.322 120.200 -0.451 0.000 2.130 1342 E HA -0.257 4.089 4.350 -0.007 0.000 0.196 1342 E C 1.880 178.332 176.600 -0.247 0.000 0.998 1342 E CA 2.381 58.379 56.400 -0.670 0.000 0.806 1342 E CB -1.680 27.794 29.700 -0.377 0.000 0.738 1342 E HN 0.579 nan 8.360 nan 0.000 0.459 1343 S N -0.473 115.166 115.700 -0.101 0.000 2.522 1343 S HA -0.077 4.388 4.470 -0.007 0.000 0.227 1343 S C 1.112 175.734 174.600 0.037 0.000 0.986 1343 S CA 0.340 58.525 58.200 -0.025 0.000 0.929 1343 S CB -0.394 62.789 63.200 -0.028 0.000 0.769 1343 S HN 0.672 nan 8.310 nan 0.000 0.529 1344 H N 1.433 120.498 119.070 -0.009 0.000 2.815 1344 H HA 0.436 4.988 4.556 -0.007 0.000 0.350 1344 H C 1.419 176.780 175.328 0.055 0.000 1.080 1344 H CA 0.602 56.671 56.048 0.034 0.000 1.433 1344 H CB 1.291 31.091 29.762 0.062 0.000 1.432 1344 H HN 0.231 nan 8.280 nan 0.000 0.592 1345 A N 3.465 126.460 122.820 0.291 0.000 2.125 1345 A HA -0.155 4.161 4.320 -0.007 0.000 0.219 1345 A C 1.740 179.494 177.584 0.283 0.000 1.156 1345 A CA 1.684 53.858 52.037 0.228 0.000 0.671 1345 A CB -0.031 19.036 19.000 0.111 0.000 0.794 1345 A HN 0.712 nan 8.150 nan 0.000 0.459 1346 D N -2.629 118.022 120.400 0.419 0.000 2.407 1346 D HA 0.057 4.692 4.640 -0.007 0.000 0.208 1346 D C 1.376 177.688 176.300 0.020 0.000 1.083 1346 D CA 0.126 54.179 54.000 0.088 0.000 0.844 1346 D CB -0.150 40.587 40.800 -0.104 0.000 0.967 1346 D HN 0.578 nan 8.370 nan 0.000 0.506 1347 H N 0.050 119.116 119.070 -0.006 0.000 2.289 1347 H HA -0.114 4.438 4.556 -0.007 0.000 0.296 1347 H C 1.897 177.215 175.328 -0.017 0.000 1.091 1347 H CA 2.595 58.630 56.048 -0.023 0.000 1.274 1347 H CB 0.027 29.802 29.762 0.021 0.000 1.364 1347 H HN -0.058 nan 8.280 nan 0.000 0.490 1348 S N -0.656 115.090 115.700 0.077 0.000 2.374 1348 S HA -0.224 4.242 4.470 -0.007 0.000 0.227 1348 S C 2.397 176.961 174.600 -0.060 0.000 1.037 1348 S CA 1.413 59.618 58.200 0.009 0.000 1.024 1348 S CB -0.411 62.823 63.200 0.056 0.000 0.861 1348 S HN 0.422 nan 8.310 nan 0.000 0.456 1349 S N 1.285 116.958 115.700 -0.046 0.000 2.371 1349 S HA 0.130 4.595 4.470 -0.007 0.000 0.224 1349 S C 1.803 176.349 174.600 -0.090 0.000 1.029 1349 S CA 0.692 58.860 58.200 -0.053 0.000 0.978 1349 S CB -0.342 62.840 63.200 -0.030 0.000 0.833 1349 S HN 0.343 nan 8.310 nan 0.000 0.466 1350 L N 1.172 122.318 121.223 -0.129 0.000 2.027 1350 L HA -0.143 4.193 4.340 -0.007 0.000 0.206 1350 L C 2.700 179.471 176.870 -0.165 0.000 1.074 1350 L CA 1.051 55.803 54.840 -0.147 0.000 0.745 1350 L CB -0.531 41.424 42.059 -0.173 0.000 0.898 1350 L HN 0.154 nan 8.230 nan 0.000 0.433 1351 K N -0.056 120.207 120.400 -0.227 0.000 2.074 1351 K HA -0.232 4.084 4.320 -0.007 0.000 0.209 1351 K C 1.916 178.444 176.600 -0.119 0.000 1.048 1351 K CA 1.644 57.816 56.287 -0.191 0.000 0.926 1351 K CB -0.863 31.510 32.500 -0.213 0.000 0.713 1351 K HN 0.214 nan 8.250 nan 0.000 0.444 1352 L N 0.387 121.548 121.223 -0.103 0.000 2.005 1352 L HA 0.052 4.388 4.340 -0.007 0.000 0.207 1352 L C 2.344 179.165 176.870 -0.083 0.000 1.072 1352 L CA 2.331 57.125 54.840 -0.078 0.000 0.744 1352 L CB -1.047 40.974 42.059 -0.063 0.000 0.895 1352 L HN 0.258 nan 8.230 nan 0.000 0.433 1353 A N -0.976 121.790 122.820 -0.089 0.000 2.019 1353 A HA -0.168 4.147 4.320 -0.007 0.000 0.219 1353 A C 2.189 179.715 177.584 -0.096 0.000 1.164 1353 A CA 1.794 53.774 52.037 -0.095 0.000 0.644 1353 A CB -0.852 18.092 19.000 -0.093 0.000 0.805 1353 A HN 0.511 nan 8.150 nan 0.000 0.449 1354 L N -0.339 120.829 121.223 -0.092 0.000 2.209 1354 L HA 0.023 4.358 4.340 -0.007 0.000 0.207 1354 L C 2.000 178.827 176.870 -0.071 0.000 1.094 1354 L CA 1.890 56.682 54.840 -0.081 0.000 0.790 1354 L CB -0.444 41.564 42.059 -0.086 0.000 0.932 1354 L HN 0.461 nan 8.230 nan 0.000 0.447 1355 E N -0.377 119.780 120.200 -0.071 0.000 2.077 1355 E HA -0.210 4.135 4.350 -0.007 0.000 0.193 1355 E C 2.185 178.748 176.600 -0.063 0.000 0.989 1355 E CA 1.281 57.645 56.400 -0.060 0.000 0.800 1355 E CB -0.121 29.544 29.700 -0.057 0.000 0.746 1355 E HN 0.504 nan 8.360 nan 0.000 0.452 1356 R N 0.367 120.822 120.500 -0.076 0.000 2.090 1356 R HA 0.025 4.361 4.340 -0.007 0.000 0.228 1356 R C 2.384 178.628 176.300 -0.092 0.000 1.110 1356 R CA 0.886 56.934 56.100 -0.087 0.000 0.973 1356 R CB -0.218 30.019 30.300 -0.106 0.000 0.869 1356 R HN 0.089 nan 8.270 nan 0.000 0.440 1357 A N 1.660 124.422 122.820 -0.095 0.000 1.902 1357 A HA -0.186 4.130 4.320 -0.007 0.000 0.217 1357 A C 1.921 179.476 177.584 -0.050 0.000 1.181 1357 A CA 1.303 53.289 52.037 -0.086 0.000 0.623 1357 A CB -0.276 18.688 19.000 -0.060 0.000 0.818 1357 A HN 0.298 nan 8.150 nan 0.000 0.443 1358 E N -0.850 119.322 120.200 -0.046 0.000 2.051 1358 E HA -0.153 4.193 4.350 -0.007 0.000 0.192 1358 E C 2.099 178.680 176.600 -0.032 0.000 0.991 1358 E CA 1.192 57.571 56.400 -0.035 0.000 0.799 1358 E CB -0.190 29.489 29.700 -0.036 0.000 0.748 1358 E HN 0.614 nan 8.360 nan 0.000 0.449 1359 E N 0.896 121.072 120.200 -0.040 0.000 2.160 1359 E HA -0.187 4.159 4.350 -0.007 0.000 0.195 1359 E C 1.974 178.556 176.600 -0.029 0.000 0.991 1359 E CA 0.928 57.308 56.400 -0.034 0.000 0.810 1359 E CB -0.349 29.326 29.700 -0.041 0.000 0.742 1359 E HN 0.259 nan 8.360 nan 0.000 0.466 1360 L N -0.101 121.099 121.223 -0.040 0.000 2.156 1360 L HA 0.041 4.377 4.340 -0.007 0.000 0.208 1360 L C 2.474 179.337 176.870 -0.012 0.000 1.095 1360 L CA 1.898 56.717 54.840 -0.034 0.000 0.770 1360 L CB -0.920 41.098 42.059 -0.070 0.000 0.914 1360 L HN 0.430 nan 8.230 nan 0.000 0.439 1361 C N -1.425 117.868 119.300 -0.012 0.000 2.429 1361 C HA -0.134 4.322 4.460 -0.007 0.000 0.277 1361 C C 3.082 178.075 174.990 0.005 0.000 1.262 1361 C CA 1.124 60.141 59.018 -0.001 0.000 1.733 1361 C CB -1.013 26.724 27.740 -0.007 0.000 2.010 1361 C HN 0.702 nan 8.230 nan 0.000 0.483 1362 S N 0.034 115.733 115.700 -0.002 0.000 2.365 1362 S HA -0.266 4.199 4.470 -0.007 0.000 0.221 1362 S C 1.903 176.508 174.600 0.009 0.000 1.037 1362 S CA 1.903 60.103 58.200 0.000 0.000 1.060 1362 S CB -0.369 62.827 63.200 -0.006 0.000 0.974 1362 S HN 0.693 nan 8.310 nan 0.000 0.427 1363 Q N -0.176 119.630 119.800 0.009 0.000 2.077 1363 Q HA -0.113 4.223 4.340 -0.007 0.000 0.206 1363 Q C 2.164 178.187 176.000 0.037 0.000 0.989 1363 Q CA 1.880 57.695 55.803 0.020 0.000 0.853 1363 Q CB -0.326 28.423 28.738 0.019 0.000 0.907 1363 Q HN 0.410 nan 8.270 nan 0.000 0.418 1364 V N 1.159 121.102 119.914 0.048 0.000 2.913 1364 V HA -0.184 3.932 4.120 -0.007 0.000 0.260 1364 V C 1.737 177.865 176.094 0.058 0.000 1.098 1364 V CA 1.368 63.714 62.300 0.077 0.000 1.121 1364 V CB -0.380 31.502 31.823 0.098 0.000 0.714 1364 V HN 0.444 nan 8.190 nan 0.000 0.487 1365 N N 0.159 118.881 118.700 0.036 0.000 2.388 1365 N HA -0.058 4.678 4.740 -0.007 0.000 0.176 1365 N C 1.814 177.335 175.510 0.018 0.000 1.062 1365 N CA 0.616 53.681 53.050 0.025 0.000 0.895 1365 N CB 0.363 38.859 38.487 0.017 0.000 1.018 1365 N HN 0.736 nan 8.380 nan 0.000 0.456 1366 E N 0.068 120.279 120.200 0.018 0.000 2.409 1366 E HA -0.005 4.341 4.350 -0.007 0.000 0.198 1366 E C 0.836 177.444 176.600 0.013 0.000 1.024 1366 E CA 0.340 56.748 56.400 0.013 0.000 0.861 1366 E CB 0.143 29.850 29.700 0.012 0.000 0.788 1366 E HN 0.091 nan 8.360 nan 0.000 0.521 1367 G N 0.000 108.811 108.800 0.018 0.000 5.446 1367 G HA2 0.000 3.956 3.960 -0.007 0.000 0.244 1367 G HA3 0.000 3.956 3.960 -0.007 0.000 0.244 1367 G CA 0.000 45.108 45.100 0.013 0.000 0.502 1367 G HN 0.000 nan 8.290 nan 0.000 0.925