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 1p2c_1_E DATA FIRST_RESID 1201 DATA SEQUENCE EVQLQESGAE LMKPGASVKI ScKATGYTFT TYWIEWIKQR PGHSLEWIGE DATA SEQUENCE ILPGSDSTYY NEKVKGKVTF TADASSNTAY MQLSSLTSED SAVYYcARGD DATA SEQUENCE GFYVYWGQGT TLTVSSASTT PPSVYPLAPG XXXXXXSMVT LGcLVKGYFP DATA SEQUENCE EPVTVTWNSG SLSSGVHTFP AVLQSDLYTL SSSVTVPSSP WPSETVTcNV DATA SEQUENCE AHPASSTKVD KKIVPRD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1201 E HA 0.000 nan 4.350 nan 0.000 0.291 1201 E C 0.000 176.506 176.600 -0.156 0.000 1.382 1201 E CA 0.000 56.352 56.400 -0.080 0.000 0.976 1201 E CB 0.000 29.675 29.700 -0.041 0.000 0.812 1202 V N 3.076 122.772 119.914 -0.363 0.000 2.572 1202 V HA 0.171 4.291 4.120 0.000 0.000 0.291 1202 V C 0.297 176.187 176.094 -0.340 0.000 1.039 1202 V CA 0.342 62.355 62.300 -0.479 0.000 1.055 1202 V CB 0.495 31.563 31.823 -1.258 0.000 0.969 1202 V HN 0.572 nan 8.190 nan 0.000 0.482 1203 Q N 4.697 124.418 119.800 -0.132 0.000 2.315 1203 Q HA 0.554 4.894 4.340 0.000 0.000 0.273 1203 Q C -1.746 174.260 176.000 0.009 0.000 1.053 1203 Q CA -0.860 54.914 55.803 -0.049 0.000 0.817 1203 Q CB 2.788 31.509 28.738 -0.030 0.000 1.326 1203 Q HN 0.418 nan 8.270 nan 0.000 0.423 1204 L N 2.731 123.976 121.223 0.035 0.000 2.342 1204 L HA 0.410 4.750 4.340 0.000 0.000 0.276 1204 L C -0.683 176.210 176.870 0.039 0.000 0.997 1204 L CA -0.417 54.446 54.840 0.040 0.000 0.838 1204 L CB 1.534 43.615 42.059 0.038 0.000 1.224 1204 L HN 0.685 nan 8.230 nan 0.000 0.416 1205 Q N 2.787 122.597 119.800 0.017 0.000 2.348 1205 Q HA 0.404 4.744 4.340 0.000 0.000 0.265 1205 Q C -0.741 175.270 176.000 0.018 0.000 0.998 1205 Q CA -0.176 55.639 55.803 0.020 0.000 0.831 1205 Q CB 1.547 30.287 28.738 0.003 0.000 1.251 1205 Q HN 0.551 nan 8.270 nan 0.000 0.456 1206 E N 1.205 121.430 120.200 0.041 0.000 2.254 1206 E HA 0.469 4.819 4.350 0.000 0.000 0.261 1206 E C -0.475 176.160 176.600 0.059 0.000 1.051 1206 E CA -0.735 55.701 56.400 0.060 0.000 0.902 1206 E CB 1.198 30.951 29.700 0.087 0.000 1.168 1206 E HN 0.800 nan 8.360 nan 0.000 0.423 1207 S N -0.176 115.572 115.700 0.080 0.000 2.614 1207 S HA 0.385 4.855 4.470 0.000 0.000 0.265 1207 S C 0.633 175.266 174.600 0.055 0.000 1.303 1207 S CA -0.674 57.566 58.200 0.068 0.000 1.000 1207 S CB 1.012 64.265 63.200 0.088 0.000 0.935 1207 S HN 0.608 nan 8.310 nan 0.000 0.551 1208 G N -0.150 108.672 108.800 0.037 0.000 2.653 1208 G HA2 0.499 4.459 3.960 0.000 0.000 0.265 1208 G HA3 0.499 4.459 3.960 0.000 0.000 0.265 1208 G C 0.252 175.165 174.900 0.022 0.000 1.237 1208 G CA -0.513 44.600 45.100 0.022 0.000 0.946 1208 G HN 1.209 nan 8.290 nan 0.000 0.522 1209 A N -0.669 122.154 122.820 0.005 0.000 2.466 1209 A HA 0.505 4.825 4.320 0.000 0.000 0.238 1209 A C 0.342 177.928 177.584 0.002 0.000 1.074 1209 A CA 0.232 52.270 52.037 0.002 0.000 0.774 1209 A CB 0.176 19.163 19.000 -0.022 0.000 1.015 1209 A HN 0.629 nan 8.150 nan 0.000 0.498 1210 E N -0.225 119.982 120.200 0.012 0.000 2.356 1210 E HA 0.510 4.860 4.350 0.000 0.000 0.275 1210 E C -1.814 174.796 176.600 0.017 0.000 0.904 1210 E CA -0.832 55.575 56.400 0.012 0.000 0.757 1210 E CB 2.113 31.824 29.700 0.019 0.000 1.232 1210 E HN 0.453 nan 8.360 nan 0.000 0.442 1211 L N 2.453 123.689 121.223 0.022 0.000 2.376 1211 L HA 0.549 4.889 4.340 0.000 0.000 0.275 1211 L C -1.487 175.420 176.870 0.061 0.000 0.987 1211 L CA -0.251 54.618 54.840 0.050 0.000 0.828 1211 L CB 1.373 43.467 42.059 0.058 0.000 1.249 1211 L HN 0.496 nan 8.230 nan 0.000 0.409 1212 M N 3.456 123.098 119.600 0.070 0.000 2.593 1212 M HA 0.492 4.973 4.480 0.000 0.000 0.290 1212 M C -0.664 175.678 176.300 0.069 0.000 1.244 1212 M CA -0.618 54.714 55.300 0.054 0.000 0.857 1212 M CB 2.505 35.122 32.600 0.027 0.000 1.738 1212 M HN 0.514 nan 8.290 nan 0.000 0.461 1213 K N 1.928 122.359 120.400 0.051 0.000 2.098 1213 K HA 0.511 4.831 4.320 0.000 0.000 0.257 1213 K C -2.264 174.354 176.600 0.031 0.000 0.999 1213 K CA -1.466 54.849 56.287 0.047 0.000 0.924 1213 K CB 0.307 32.827 32.500 0.034 0.000 1.028 1213 K HN 0.343 nan 8.250 nan 0.000 0.466 1214 P HA -0.076 nan 4.420 nan 0.000 0.269 1214 P C 0.518 177.820 177.300 0.004 0.000 1.209 1214 P CA 0.594 63.704 63.100 0.016 0.000 0.776 1214 P CB 0.669 32.378 31.700 0.015 0.000 0.876 1215 G N 0.715 109.511 108.800 -0.005 0.000 2.241 1215 G HA2 -0.193 3.767 3.960 0.000 0.000 0.244 1215 G HA3 -0.193 3.767 3.960 0.000 0.000 0.244 1215 G C 0.455 175.343 174.900 -0.020 0.000 0.998 1215 G CA 0.282 45.373 45.100 -0.014 0.000 0.621 1215 G HN 0.886 nan 8.290 nan 0.000 0.519 1216 A N -0.161 122.650 122.820 -0.015 0.000 2.301 1216 A HA 0.929 5.250 4.320 0.000 0.000 0.287 1216 A C 0.817 178.380 177.584 -0.035 0.000 1.274 1216 A CA 1.036 53.061 52.037 -0.021 0.000 0.865 1216 A CB 0.698 19.693 19.000 -0.009 0.000 1.324 1216 A HN 2.039 nan 8.150 nan 0.000 0.508 1217 S N -2.539 113.136 115.700 -0.042 0.000 2.661 1217 S HA 0.753 5.223 4.470 0.000 0.000 0.285 1217 S C -0.991 173.573 174.600 -0.060 0.000 1.138 1217 S CA -0.289 57.873 58.200 -0.063 0.000 0.855 1217 S CB 1.205 64.359 63.200 -0.077 0.000 1.136 1217 S HN 1.948 nan 8.310 nan 0.000 0.484 1218 V N 0.103 119.967 119.914 -0.083 0.000 3.120 1218 V HA 0.741 4.861 4.120 0.000 0.000 0.303 1218 V C -1.855 174.185 176.094 -0.091 0.000 1.238 1218 V CA -0.696 61.561 62.300 -0.072 0.000 1.008 1218 V CB 2.192 33.976 31.823 -0.065 0.000 1.064 1218 V HN 1.131 nan 8.190 nan 0.000 0.434 1219 K N 5.432 125.802 120.400 -0.050 0.000 2.413 1219 K HA 0.642 4.962 4.320 0.000 0.000 0.257 1219 K C -1.456 175.173 176.600 0.048 0.000 0.946 1219 K CA -0.605 55.669 56.287 -0.021 0.000 0.823 1219 K CB 1.464 33.960 32.500 -0.006 0.000 1.109 1219 K HN 0.701 nan 8.250 nan 0.000 0.427 1220 I N 3.241 123.830 120.570 0.033 0.000 2.392 1220 I HA 0.189 4.359 4.170 0.000 0.000 0.295 1220 I C 0.222 176.489 176.117 0.249 0.000 0.985 1220 I CA -0.554 60.817 61.300 0.118 0.000 1.221 1220 I CB 1.911 39.970 38.000 0.099 0.000 1.366 1220 I HN 0.656 nan 8.210 nan 0.000 0.467 1221 S N 4.663 120.507 115.700 0.240 0.000 2.621 1221 S HA 0.651 5.121 4.470 0.000 0.000 0.302 1221 S C -0.754 173.931 174.600 0.142 0.000 1.093 1221 S CA -0.733 57.533 58.200 0.109 0.000 1.017 1221 S CB 2.022 65.185 63.200 -0.063 0.000 1.077 1221 S HN 0.772 nan 8.310 nan 0.000 0.517 1222 c N 2.405 121.027 118.600 0.037 0.000 2.571 1222 c HA 0.624 5.194 4.570 0.000 0.000 0.343 1222 c C -0.698 173.363 174.090 -0.048 0.000 1.082 1222 c CA -0.556 55.767 56.329 -0.009 0.000 1.339 1222 c CB -0.111 42.314 42.510 -0.141 0.000 1.893 1222 c HN 1.100 nan 8.230 nan 0.000 0.445 1223 K N 4.638 125.005 120.400 -0.055 0.000 2.264 1223 K HA 0.708 5.029 4.320 0.000 0.000 0.277 1223 K C -0.092 176.488 176.600 -0.034 0.000 1.067 1223 K CA -0.028 56.208 56.287 -0.084 0.000 0.900 1223 K CB 0.968 33.407 32.500 -0.102 0.000 1.124 1223 K HN 0.853 nan 8.250 nan 0.000 0.469 1224 A N 3.301 126.125 122.820 0.007 0.000 2.305 1224 A HA 0.589 4.910 4.320 0.000 0.000 0.322 1224 A C -0.452 177.094 177.584 -0.065 0.000 1.187 1224 A CA -0.478 51.627 52.037 0.113 0.000 0.825 1224 A CB 0.934 20.190 19.000 0.426 0.000 1.164 1224 A HN 0.829 nan 8.150 nan 0.000 0.498 1225 T N -1.898 112.640 114.554 -0.026 0.000 2.843 1225 T HA 0.692 5.042 4.350 0.000 0.000 0.302 1225 T C 0.530 175.213 174.700 -0.028 0.000 1.232 1225 T CA 0.058 62.087 62.100 -0.119 0.000 1.009 1225 T CB 1.257 70.061 68.868 -0.106 0.000 1.254 1225 T HN 2.381 nan 8.240 nan 0.000 0.504 1226 G N 0.256 109.018 108.800 -0.063 0.000 2.157 1226 G HA2 -0.006 3.954 3.960 0.000 0.000 0.239 1226 G HA3 -0.006 3.954 3.960 0.000 0.000 0.239 1226 G C -0.223 174.731 174.900 0.090 0.000 0.982 1226 G CA 0.802 45.901 45.100 -0.002 0.000 0.650 1226 G HN 1.987 nan 8.290 nan 0.000 0.527 1227 Y N -2.740 117.511 120.300 -0.082 0.000 2.788 1227 Y HA 0.679 5.229 4.550 0.000 0.000 0.335 1227 Y C -0.036 175.876 175.900 0.020 0.000 1.287 1227 Y CA -0.844 57.218 58.100 -0.065 0.000 1.068 1227 Y CB 0.175 38.520 38.460 -0.192 0.000 1.340 1227 Y HN 0.166 nan 8.280 nan 0.000 0.449 1228 T N 3.321 117.943 114.554 0.114 0.000 2.840 1228 T HA 0.071 4.421 4.350 0.000 0.000 0.276 1228 T C 0.614 175.322 174.700 0.013 0.000 0.912 1228 T CA 0.138 62.277 62.100 0.065 0.000 1.116 1228 T CB -0.639 68.336 68.868 0.178 0.000 0.895 1228 T HN 0.636 nan 8.240 nan 0.000 0.570 1229 F N 3.377 123.083 119.950 -0.407 0.000 2.192 1229 F HA -0.225 4.302 4.527 0.000 0.000 0.301 1229 F C 2.492 178.254 175.800 -0.063 0.000 1.079 1229 F CA 1.663 59.447 58.000 -0.360 0.000 1.303 1229 F CB -0.047 38.763 39.000 -0.317 0.000 1.024 1229 F HN 0.573 nan 8.300 nan 0.000 0.494 1230 T N -4.385 110.166 114.554 -0.004 0.000 3.129 1230 T HA 0.017 4.368 4.350 0.000 0.000 0.251 1230 T C 1.450 176.090 174.700 -0.100 0.000 1.117 1230 T CA 1.021 63.065 62.100 -0.093 0.000 1.034 1230 T CB -0.217 68.640 68.868 -0.017 0.000 0.968 1230 T HN 0.161 nan 8.240 nan 0.000 0.526 1231 T N 0.340 114.911 114.554 0.029 0.000 3.039 1231 T HA 0.237 4.588 4.350 0.000 0.000 0.250 1231 T C -0.340 174.302 174.700 -0.096 0.000 1.052 1231 T CA 0.294 62.389 62.100 -0.009 0.000 1.125 1231 T CB -0.089 68.831 68.868 0.087 0.000 0.908 1231 T HN 0.406 nan 8.240 nan 0.000 0.473 1232 Y N -0.474 119.802 120.300 -0.039 0.000 2.361 1232 Y HA 0.473 5.023 4.550 0.000 0.000 0.332 1232 Y C -0.310 175.514 175.900 -0.126 0.000 1.101 1232 Y CA -2.439 55.640 58.100 -0.035 0.000 1.137 1232 Y CB 0.549 39.013 38.460 0.007 0.000 1.207 1232 Y HN 0.136 nan 8.280 nan 0.000 0.463 1233 W N 3.202 124.529 121.300 0.045 0.000 2.150 1233 W HA 0.471 5.131 4.660 0.000 0.000 0.341 1233 W C -0.499 175.995 176.519 -0.042 0.000 1.276 1233 W CA -0.089 57.246 57.345 -0.017 0.000 1.238 1233 W CB 0.375 29.837 29.460 0.003 0.000 1.128 1233 W HN 0.205 nan 8.180 nan 0.000 0.581 1234 I N 2.621 123.273 120.570 0.136 0.000 2.382 1234 I HA 0.177 4.347 4.170 0.000 0.000 0.286 1234 I C -0.286 175.744 176.117 -0.144 0.000 1.002 1234 I CA -0.790 60.459 61.300 -0.086 0.000 1.135 1234 I CB 1.032 38.926 38.000 -0.176 0.000 1.288 1234 I HN 0.352 nan 8.210 nan 0.000 0.448 1235 E N 5.156 125.226 120.200 -0.215 0.000 2.191 1235 E HA 0.357 4.707 4.350 0.000 0.000 0.274 1235 E C -1.664 174.650 176.600 -0.477 0.000 0.948 1235 E CA -0.691 55.593 56.400 -0.192 0.000 0.802 1235 E CB 1.806 31.615 29.700 0.181 0.000 1.137 1235 E HN 0.333 nan 8.360 nan 0.000 0.397 1236 W N 2.627 123.687 121.300 -0.400 0.000 2.520 1236 W HA 0.506 5.166 4.660 0.000 0.000 0.323 1236 W C -0.351 176.078 176.519 -0.149 0.000 1.062 1236 W CA -0.339 56.886 57.345 -0.201 0.000 1.215 1236 W CB 0.802 30.230 29.460 -0.054 0.000 1.340 1236 W HN 0.266 nan 8.180 nan 0.000 0.516 1237 I N 2.790 123.509 120.570 0.249 0.000 2.545 1237 I HA 0.323 4.494 4.170 0.000 0.000 0.292 1237 I C -0.312 176.010 176.117 0.341 0.000 1.040 1237 I CA -1.350 60.112 61.300 0.270 0.000 1.068 1237 I CB 2.012 40.159 38.000 0.244 0.000 1.251 1237 I HN 0.251 nan 8.210 nan 0.000 0.424 1238 K N 5.721 126.257 120.400 0.226 0.000 2.206 1238 K HA 0.460 4.780 4.320 0.000 0.000 0.264 1238 K C -1.069 175.547 176.600 0.027 0.000 0.967 1238 K CA -0.522 55.753 56.287 -0.020 0.000 0.844 1238 K CB 1.666 34.145 32.500 -0.035 0.000 1.099 1238 K HN 0.638 nan 8.250 nan 0.000 0.441 1239 Q N 4.239 124.009 119.800 -0.051 0.000 2.325 1239 Q HA 0.319 4.659 4.340 0.000 0.000 0.270 1239 Q C -1.399 174.593 176.000 -0.014 0.000 1.020 1239 Q CA -0.743 55.095 55.803 0.058 0.000 0.785 1239 Q CB 1.525 30.385 28.738 0.204 0.000 1.259 1239 Q HN 0.538 nan 8.270 nan 0.000 0.452 1240 R N 3.529 124.060 120.500 0.052 0.000 2.740 1240 R HA 0.546 4.886 4.340 0.000 0.000 0.282 1240 R C -2.513 173.875 176.300 0.146 0.000 0.969 1240 R CA -2.141 54.009 56.100 0.083 0.000 0.918 1240 R CB 1.744 32.096 30.300 0.087 0.000 1.175 1240 R HN 0.536 nan 8.270 nan 0.000 0.464 1241 P HA 0.044 nan 4.420 nan 0.000 0.271 1241 P C 0.135 177.480 177.300 0.076 0.000 1.226 1241 P CA 0.474 63.630 63.100 0.093 0.000 0.765 1241 P CB 0.896 32.644 31.700 0.081 0.000 0.835 1242 G N 1.886 110.690 108.800 0.007 0.000 2.137 1242 G HA2 -0.161 3.799 3.960 0.000 0.000 0.237 1242 G HA3 -0.161 3.799 3.960 0.000 0.000 0.237 1242 G C -0.107 174.596 174.900 -0.328 0.000 1.002 1242 G CA -0.254 44.768 45.100 -0.130 0.000 0.702 1242 G HN 0.791 nan 8.290 nan 0.000 0.515 1243 H N -0.097 118.998 119.070 0.042 0.000 2.966 1243 H HA 0.472 5.028 4.556 0.000 0.000 0.347 1243 H C 0.474 175.836 175.328 0.057 0.000 1.048 1243 H CA -0.043 56.034 56.048 0.049 0.000 1.295 1243 H CB 1.655 31.446 29.762 0.048 0.000 1.744 1243 H HN 0.496 nan 8.280 nan 0.000 0.513 1244 S N 2.688 118.496 115.700 0.180 0.000 2.576 1244 S HA 0.192 4.662 4.470 0.000 0.000 0.272 1244 S C 0.616 175.313 174.600 0.161 0.000 1.352 1244 S CA -0.781 57.504 58.200 0.141 0.000 1.021 1244 S CB 0.547 63.819 63.200 0.121 0.000 0.887 1244 S HN 0.421 nan 8.310 nan 0.000 0.542 1245 L N 1.728 123.045 121.223 0.157 0.000 2.559 1245 L HA 0.104 4.445 4.340 0.000 0.000 0.282 1245 L C 0.739 177.735 176.870 0.210 0.000 1.232 1245 L CA 0.727 55.680 54.840 0.188 0.000 0.885 1245 L CB -0.224 41.962 42.059 0.210 0.000 1.131 1245 L HN 0.720 nan 8.230 nan 0.000 0.498 1246 E N 2.277 122.607 120.200 0.217 0.000 2.199 1246 E HA 0.131 4.482 4.350 0.000 0.000 0.265 1246 E C -1.340 175.454 176.600 0.324 0.000 0.882 1246 E CA -0.747 55.800 56.400 0.246 0.000 0.759 1246 E CB 1.596 31.404 29.700 0.180 0.000 1.148 1246 E HN 0.428 nan 8.360 nan 0.000 0.412 1247 W N 5.116 126.523 121.300 0.179 0.000 2.356 1247 W HA 0.182 4.843 4.660 0.000 0.000 0.311 1247 W C 0.078 176.740 176.519 0.239 0.000 1.328 1247 W CA 0.036 57.503 57.345 0.203 0.000 1.251 1247 W CB 0.360 29.933 29.460 0.188 0.000 1.280 1247 W HN 0.649 nan 8.180 nan 0.000 0.524 1248 I N 4.729 125.238 120.570 -0.102 0.000 2.628 1248 I HA 0.303 4.473 4.170 0.000 0.000 0.255 1248 I C 1.470 177.410 176.117 -0.294 0.000 1.119 1248 I CA 0.935 62.218 61.300 -0.027 0.000 1.448 1248 I CB -0.427 37.685 38.000 0.186 0.000 1.133 1248 I HN 0.576 nan 8.210 nan 0.000 0.438 1249 G N 0.762 109.043 108.800 -0.865 0.000 2.317 1249 G HA2 0.358 4.318 3.960 0.000 0.000 0.293 1249 G HA3 0.358 4.318 3.960 0.000 0.000 0.293 1249 G C -1.845 172.653 174.900 -0.671 0.000 1.287 1249 G CA -0.546 44.052 45.100 -0.838 0.000 0.850 1249 G HN 0.243 nan 8.290 nan 0.000 0.515 1250 E N -1.531 118.533 120.200 -0.227 0.000 2.430 1250 E HA 0.757 5.107 4.350 0.000 0.000 0.279 1250 E C -1.576 175.079 176.600 0.092 0.000 1.003 1250 E CA -1.071 55.291 56.400 -0.064 0.000 0.801 1250 E CB 2.833 32.672 29.700 0.233 0.000 1.313 1250 E HN 0.988 nan 8.360 nan 0.000 0.459 1251 I N 1.413 122.136 120.570 0.255 0.000 2.752 1251 I HA 0.340 4.510 4.170 0.000 0.000 0.295 1251 I C -2.026 174.105 176.117 0.023 0.000 1.219 1251 I CA -1.311 60.128 61.300 0.232 0.000 1.030 1251 I CB 2.043 40.081 38.000 0.063 0.000 1.259 1251 I HN 0.620 nan 8.210 nan 0.000 0.423 1252 L N 9.655 130.586 121.223 -0.486 0.000 2.287 1252 L HA 0.616 4.956 4.340 0.000 0.000 0.280 1252 L C -2.382 174.207 176.870 -0.467 0.000 1.055 1252 L CA -2.055 52.245 54.840 -0.899 0.000 0.863 1252 L CB 0.459 41.522 42.059 -1.660 0.000 1.245 1252 L HN 0.342 nan 8.230 nan 0.000 0.432 1253 P HA 0.127 nan 4.420 nan 0.000 0.259 1253 P C 0.834 178.034 177.300 -0.166 0.000 1.163 1253 P CA 1.360 64.270 63.100 -0.317 0.000 0.760 1253 P CB 0.489 31.625 31.700 -0.941 0.000 0.762 1254 G N 2.794 111.583 108.800 -0.018 0.000 2.299 1254 G HA2 -0.324 3.636 3.960 0.000 0.000 0.237 1254 G HA3 -0.324 3.636 3.960 0.000 0.000 0.237 1254 G C 1.223 176.108 174.900 -0.024 0.000 1.027 1254 G CA 0.516 45.621 45.100 0.009 0.000 0.619 1254 G HN 0.626 nan 8.290 nan 0.000 0.513 1255 S N 0.214 115.865 115.700 -0.081 0.000 2.528 1255 S HA 0.274 4.744 4.470 0.000 0.000 0.219 1255 S C 1.019 175.603 174.600 -0.026 0.000 0.985 1255 S CA 1.142 59.298 58.200 -0.072 0.000 0.914 1255 S CB 0.119 63.233 63.200 -0.144 0.000 0.776 1255 S HN 0.714 nan 8.310 nan 0.000 0.526 1256 D N 0.404 120.801 120.400 -0.004 0.000 3.076 1256 D HA -0.116 4.524 4.640 0.000 0.000 0.218 1256 D C -0.842 175.501 176.300 0.072 0.000 1.156 1256 D CA 1.011 55.040 54.000 0.047 0.000 0.921 1256 D CB -1.680 39.151 40.800 0.052 0.000 1.113 1256 D HN 0.479 nan 8.370 nan 0.000 0.418 1257 S N 0.068 115.791 115.700 0.038 0.000 2.442 1257 S HA 0.608 5.078 4.470 0.000 0.000 0.297 1257 S C 0.514 175.263 174.600 0.248 0.000 1.131 1257 S CA -0.268 58.010 58.200 0.131 0.000 1.092 1257 S CB 2.137 65.406 63.200 0.116 0.000 0.998 1257 S HN 0.320 nan 8.310 nan 0.000 0.478 1258 T N 0.430 115.167 114.554 0.304 0.000 2.864 1258 T HA 0.739 5.089 4.350 0.000 0.000 0.289 1258 T C -1.533 173.311 174.700 0.240 0.000 1.082 1258 T CA -0.752 61.516 62.100 0.281 0.000 1.009 1258 T CB 1.446 70.363 68.868 0.080 0.000 1.234 1258 T HN 0.498 nan 8.240 nan 0.000 0.526 1259 Y N 0.293 120.540 120.300 -0.089 0.000 2.399 1259 Y HA 0.570 5.120 4.550 0.000 0.000 0.327 1259 Y C -2.276 173.539 175.900 -0.143 0.000 1.111 1259 Y CA -1.362 56.724 58.100 -0.023 0.000 1.047 1259 Y CB 1.418 39.936 38.460 0.097 0.000 1.259 1259 Y HN 0.799 nan 8.280 nan 0.000 0.434 1260 Y N 3.565 123.643 120.300 -0.369 0.000 2.409 1260 Y HA 0.329 4.879 4.550 0.000 0.000 0.339 1260 Y C 0.265 176.027 175.900 -0.231 0.000 1.033 1260 Y CA -1.086 56.882 58.100 -0.221 0.000 1.094 1260 Y CB 1.132 39.456 38.460 -0.226 0.000 1.210 1260 Y HN 0.596 nan 8.280 nan 0.000 0.456 1261 N N 2.968 121.782 118.700 0.190 0.000 2.431 1261 N HA -0.054 4.686 4.740 0.000 0.000 0.265 1261 N C 0.828 176.422 175.510 0.140 0.000 1.184 1261 N CA 0.309 53.547 53.050 0.313 0.000 0.943 1261 N CB 0.700 39.426 38.487 0.399 0.000 1.080 1261 N HN 0.711 nan 8.380 nan 0.000 0.477 1262 E N 3.504 123.764 120.200 0.100 0.000 2.197 1262 E HA -0.310 4.041 4.350 0.000 0.000 0.205 1262 E C 1.263 177.889 176.600 0.043 0.000 1.029 1262 E CA 1.287 57.717 56.400 0.050 0.000 0.828 1262 E CB -0.038 29.701 29.700 0.065 0.000 0.737 1262 E HN 0.715 nan 8.360 nan 0.000 0.464 1263 K N 1.110 121.555 120.400 0.076 0.000 2.152 1263 K HA -0.132 4.188 4.320 0.000 0.000 0.206 1263 K C 1.894 178.509 176.600 0.026 0.000 1.048 1263 K CA 1.672 57.993 56.287 0.057 0.000 0.933 1263 K CB 0.125 32.676 32.500 0.085 0.000 0.721 1263 K HN 0.189 nan 8.250 nan 0.000 0.447 1264 V N -1.229 118.699 119.914 0.024 0.000 3.621 1264 V HA 0.198 4.318 4.120 0.000 0.000 0.285 1264 V C 0.468 176.493 176.094 -0.115 0.000 1.346 1264 V CA -0.481 61.801 62.300 -0.029 0.000 1.104 1264 V CB -0.474 31.347 31.823 -0.004 0.000 0.913 1264 V HN 0.114 nan 8.190 nan 0.000 0.432 1265 K N 1.229 121.568 120.400 -0.102 0.000 2.489 1265 K HA 0.359 4.679 4.320 0.000 0.000 0.278 1265 K C 1.363 177.833 176.600 -0.217 0.000 1.000 1265 K CA 1.298 57.470 56.287 -0.192 0.000 1.012 1265 K CB 0.204 32.639 32.500 -0.108 0.000 0.903 1265 K HN 0.711 nan 8.250 nan 0.000 0.485 1266 G N 3.630 112.240 108.800 -0.317 0.000 2.299 1266 G HA2 -0.335 3.625 3.960 0.000 0.000 0.237 1266 G HA3 -0.335 3.625 3.960 0.000 0.000 0.237 1266 G C 0.605 175.356 174.900 -0.248 0.000 1.027 1266 G CA 0.603 45.556 45.100 -0.246 0.000 0.619 1266 G HN 0.726 nan 8.290 nan 0.000 0.513 1267 K N -0.178 120.067 120.400 -0.258 0.000 2.360 1267 K HA 0.627 4.948 4.320 0.000 0.000 0.196 1267 K C 0.360 176.782 176.600 -0.296 0.000 1.049 1267 K CA 0.276 56.428 56.287 -0.225 0.000 1.049 1267 K CB 1.207 33.616 32.500 -0.152 0.000 0.881 1267 K HN 0.308 nan 8.250 nan 0.000 0.542 1268 V N 1.736 121.390 119.914 -0.432 0.000 2.555 1268 V HA 0.353 4.473 4.120 0.000 0.000 0.302 1268 V C -0.751 174.906 176.094 -0.727 0.000 1.038 1268 V CA -0.627 61.349 62.300 -0.539 0.000 0.887 1268 V CB 1.820 33.332 31.823 -0.517 0.000 0.991 1268 V HN 0.154 nan 8.190 nan 0.000 0.434 1269 T N 4.890 119.113 114.554 -0.551 0.000 2.937 1269 T HA 0.610 4.960 4.350 0.000 0.000 0.297 1269 T C -0.918 173.650 174.700 -0.220 0.000 0.991 1269 T CA -0.216 61.675 62.100 -0.348 0.000 0.990 1269 T CB 0.696 69.432 68.868 -0.219 0.000 0.991 1269 T HN 0.245 nan 8.240 nan 0.000 0.440 1270 F N 2.709 122.776 119.950 0.195 0.000 2.399 1270 F HA 0.718 5.245 4.527 0.000 0.000 0.334 1270 F C 1.215 177.081 175.800 0.109 0.000 1.097 1270 F CA -0.757 57.278 58.000 0.059 0.000 1.076 1270 F CB 1.591 40.604 39.000 0.022 0.000 1.162 1270 F HN 0.587 nan 8.300 nan 0.000 0.495 1271 T N -0.546 114.221 114.554 0.355 0.000 2.841 1271 T HA 0.946 5.296 4.350 0.000 0.000 0.296 1271 T C -1.157 173.773 174.700 0.382 0.000 1.166 1271 T CA -0.945 61.326 62.100 0.285 0.000 1.007 1271 T CB 1.904 70.879 68.868 0.177 0.000 1.253 1271 T HN 0.957 nan 8.240 nan 0.000 0.511 1272 A N 0.554 123.575 122.820 0.335 0.000 2.594 1272 A HA 0.724 5.044 4.320 0.000 0.000 0.295 1272 A C -1.895 175.887 177.584 0.330 0.000 1.071 1272 A CA -0.693 51.574 52.037 0.383 0.000 0.685 1272 A CB 1.963 21.145 19.000 0.304 0.000 1.285 1272 A HN 0.881 nan 8.150 nan 0.000 0.405 1273 D N 1.461 122.066 120.400 0.341 0.000 2.420 1273 D HA 0.549 5.189 4.640 0.000 0.000 0.255 1273 D C 0.917 177.288 176.300 0.118 0.000 1.185 1273 D CA 0.250 54.381 54.000 0.218 0.000 0.904 1273 D CB 1.378 42.324 40.800 0.243 0.000 1.102 1273 D HN 0.597 nan 8.370 nan 0.000 0.534 1274 A N 2.592 125.498 122.820 0.144 0.000 1.978 1274 A HA -0.161 4.160 4.320 0.000 0.000 0.220 1274 A C 2.042 179.585 177.584 -0.068 0.000 1.170 1274 A CA 1.859 53.949 52.037 0.088 0.000 0.636 1274 A CB -0.487 18.603 19.000 0.151 0.000 0.810 1274 A HN 0.596 nan 8.150 nan 0.000 0.448 1275 S N -0.160 115.523 115.700 -0.029 0.000 2.500 1275 S HA -0.079 4.391 4.470 0.000 0.000 0.239 1275 S C 1.414 175.954 174.600 -0.099 0.000 0.989 1275 S CA 1.540 59.710 58.200 -0.050 0.000 0.951 1275 S CB -0.464 62.727 63.200 -0.016 0.000 0.759 1275 S HN 1.093 nan 8.310 nan 0.000 0.523 1276 S N -0.272 115.340 115.700 -0.146 0.000 2.847 1276 S HA 0.301 4.771 4.470 0.000 0.000 0.254 1276 S C 0.099 174.471 174.600 -0.381 0.000 1.039 1276 S CA -0.230 57.858 58.200 -0.187 0.000 1.113 1276 S CB -0.540 62.610 63.200 -0.084 0.000 1.092 1276 S HN 0.322 nan 8.310 nan 0.000 0.620 1277 N N 1.358 119.640 118.700 -0.697 0.000 2.721 1277 N HA -0.123 4.618 4.740 0.000 0.000 0.249 1277 N C -1.007 173.857 175.510 -1.077 0.000 1.072 1277 N CA 1.520 53.603 53.050 -1.611 0.000 0.710 1277 N CB -1.812 36.023 38.487 -1.087 0.000 0.993 1277 N HN 0.602 nan 8.380 nan 0.000 0.547 1278 T N -0.452 113.809 114.554 -0.489 0.000 2.807 1278 T HA 0.785 5.135 4.350 0.000 0.000 0.279 1278 T C 0.141 174.848 174.700 0.011 0.000 0.993 1278 T CA -0.240 61.729 62.100 -0.219 0.000 0.970 1278 T CB 1.942 70.615 68.868 -0.326 0.000 0.950 1278 T HN 0.316 nan 8.240 nan 0.000 0.441 1279 A N 2.939 125.794 122.820 0.058 0.000 2.337 1279 A HA 0.843 5.163 4.320 0.000 0.000 0.329 1279 A C -1.558 176.099 177.584 0.122 0.000 1.146 1279 A CA -0.661 51.520 52.037 0.240 0.000 0.800 1279 A CB 0.695 19.908 19.000 0.355 0.000 1.220 1279 A HN 0.810 nan 8.150 nan 0.000 0.472 1280 Y N 0.261 120.778 120.300 0.361 0.000 2.462 1280 Y HA 0.635 5.185 4.550 0.000 0.000 0.346 1280 Y C -0.001 175.883 175.900 -0.027 0.000 0.976 1280 Y CA -0.641 57.579 58.100 0.200 0.000 1.044 1280 Y CB 2.380 40.904 38.460 0.107 0.000 1.230 1280 Y HN 0.695 nan 8.280 nan 0.000 0.455 1281 M N 3.401 122.878 119.600 -0.205 0.000 2.134 1281 M HA 0.424 4.905 4.480 0.000 0.000 0.310 1281 M C -1.577 174.550 176.300 -0.288 0.000 0.966 1281 M CA -0.687 54.338 55.300 -0.459 0.000 0.922 1281 M CB 1.305 33.190 32.600 -1.191 0.000 1.537 1281 M HN 0.806 nan 8.290 nan 0.000 0.424 1282 Q N 4.902 124.555 119.800 -0.245 0.000 2.325 1282 Q HA 0.591 4.931 4.340 0.000 0.000 0.262 1282 Q C -2.047 173.792 176.000 -0.268 0.000 0.968 1282 Q CA -0.357 55.319 55.803 -0.211 0.000 0.877 1282 Q CB 1.364 30.010 28.738 -0.153 0.000 1.253 1282 Q HN 0.852 nan 8.270 nan 0.000 0.448 1283 L N 3.200 124.272 121.223 -0.251 0.000 2.282 1283 L HA 0.592 4.932 4.340 0.000 0.000 0.288 1283 L C -0.090 176.679 176.870 -0.168 0.000 1.033 1283 L CA -0.626 54.071 54.840 -0.238 0.000 0.807 1283 L CB 1.598 43.500 42.059 -0.262 0.000 1.209 1283 L HN 0.790 nan 8.230 nan 0.000 0.423 1284 S N 0.146 115.753 115.700 -0.155 0.000 2.739 1284 S HA 0.477 4.947 4.470 0.000 0.000 0.306 1284 S C 0.298 174.845 174.600 -0.090 0.000 1.115 1284 S CA -0.657 57.473 58.200 -0.117 0.000 0.985 1284 S CB 1.666 64.792 63.200 -0.124 0.000 1.133 1284 S HN 0.574 nan 8.310 nan 0.000 0.541 1285 S N 0.193 115.852 115.700 -0.069 0.000 3.491 1285 S HA -0.131 4.340 4.470 0.000 0.000 0.371 1285 S C 0.316 174.893 174.600 -0.039 0.000 0.980 1285 S CA 0.284 58.453 58.200 -0.051 0.000 1.204 1285 S CB -2.035 61.133 63.200 -0.054 0.000 0.915 1285 S HN 0.612 nan 8.310 nan 0.000 0.482 1286 L N 1.237 122.440 121.223 -0.033 0.000 2.543 1286 L HA 0.188 4.528 4.340 0.000 0.000 0.285 1286 L C 1.210 178.082 176.870 0.002 0.000 1.236 1286 L CA 0.694 55.525 54.840 -0.014 0.000 0.871 1286 L CB 0.110 42.166 42.059 -0.006 0.000 1.121 1286 L HN 0.582 nan 8.230 nan 0.000 0.501 1287 T N -2.705 111.858 114.554 0.015 0.000 2.865 1287 T HA 0.256 4.606 4.350 0.000 0.000 0.294 1287 T C 0.845 175.570 174.700 0.042 0.000 1.119 1287 T CA -0.195 61.919 62.100 0.023 0.000 1.007 1287 T CB 1.573 70.450 68.868 0.015 0.000 1.225 1287 T HN 0.570 nan 8.240 nan 0.000 0.515 1288 S N 0.056 115.784 115.700 0.046 0.000 2.440 1288 S HA -0.135 4.335 4.470 0.000 0.000 0.238 1288 S C 1.350 175.988 174.600 0.063 0.000 1.010 1288 S CA 0.875 59.113 58.200 0.064 0.000 0.972 1288 S CB -0.687 62.549 63.200 0.059 0.000 0.774 1288 S HN 0.729 nan 8.310 nan 0.000 0.501 1289 E N 1.582 121.809 120.200 0.046 0.000 2.409 1289 E HA -0.057 4.294 4.350 0.000 0.000 0.198 1289 E C 0.707 177.336 176.600 0.049 0.000 1.024 1289 E CA 0.670 57.090 56.400 0.032 0.000 0.861 1289 E CB -0.333 29.375 29.700 0.013 0.000 0.788 1289 E HN 0.670 nan 8.360 nan 0.000 0.521 1290 D N 0.261 120.709 120.400 0.081 0.000 2.350 1290 D HA 0.014 4.654 4.640 0.000 0.000 0.213 1290 D C 0.045 176.469 176.300 0.207 0.000 1.031 1290 D CA 0.164 54.254 54.000 0.150 0.000 0.861 1290 D CB 0.196 41.063 40.800 0.112 0.000 0.926 1290 D HN -0.133 nan 8.370 nan 0.000 0.520 1291 S N 0.829 116.610 115.700 0.135 0.000 2.509 1291 S HA 0.449 4.919 4.470 0.000 0.000 0.287 1291 S C 0.348 174.991 174.600 0.072 0.000 1.248 1291 S CA -0.189 58.089 58.200 0.129 0.000 1.089 1291 S CB 0.792 64.061 63.200 0.115 0.000 0.900 1291 S HN 0.372 nan 8.310 nan 0.000 0.496 1292 A N 3.256 126.104 122.820 0.046 0.000 2.361 1292 A HA 0.573 4.893 4.320 0.000 0.000 0.297 1292 A C -1.498 175.967 177.584 -0.200 0.000 1.036 1292 A CA -0.747 51.206 52.037 -0.139 0.000 0.589 1292 A CB 0.515 19.308 19.000 -0.345 0.000 1.418 1292 A HN 0.507 nan 8.150 nan 0.000 0.539 1293 V N 1.010 120.750 119.914 -0.290 0.000 2.394 1293 V HA 0.511 4.631 4.120 0.000 0.000 0.282 1293 V C -1.186 174.628 176.094 -0.467 0.000 1.031 1293 V CA -0.103 62.026 62.300 -0.285 0.000 0.881 1293 V CB 0.624 32.283 31.823 -0.272 0.000 0.982 1293 V HN 0.641 nan 8.190 nan 0.000 0.451 1294 Y N 4.180 124.396 120.300 -0.141 0.000 2.360 1294 Y HA 0.650 5.200 4.550 0.000 0.000 0.337 1294 Y C -0.359 175.493 175.900 -0.080 0.000 1.039 1294 Y CA -0.522 57.583 58.100 0.009 0.000 1.109 1294 Y CB 1.455 40.009 38.460 0.156 0.000 1.201 1294 Y HN 0.521 nan 8.280 nan 0.000 0.458 1295 Y N 1.301 121.799 120.300 0.331 0.000 2.524 1295 Y HA 0.606 5.156 4.550 0.000 0.000 0.344 1295 Y C -0.025 175.862 175.900 -0.021 0.000 1.012 1295 Y CA -1.417 56.806 58.100 0.205 0.000 1.068 1295 Y CB 1.592 40.241 38.460 0.315 0.000 1.249 1295 Y HN 0.739 nan 8.280 nan 0.000 0.468 1296 c N 0.548 119.076 118.600 -0.121 0.000 2.529 1296 c HA 1.043 5.613 4.570 0.000 0.000 0.329 1296 c C -0.365 173.446 174.090 -0.465 0.000 1.194 1296 c CA -0.858 55.037 56.329 -0.723 0.000 1.779 1296 c CB 0.585 42.397 42.510 -1.163 0.000 2.322 1296 c HN 1.072 nan 8.230 nan 0.000 0.500 1297 A N 2.194 124.646 122.820 -0.614 0.000 2.589 1297 A HA 0.788 5.108 4.320 0.000 0.000 0.296 1297 A C -0.727 176.642 177.584 -0.358 0.000 1.062 1297 A CA -0.622 51.052 52.037 -0.604 0.000 0.686 1297 A CB 1.070 19.281 19.000 -1.315 0.000 1.282 1297 A HN 1.090 nan 8.150 nan 0.000 0.404 1298 R N 0.763 121.143 120.500 -0.200 0.000 2.594 1298 R HA 0.421 4.761 4.340 0.000 0.000 0.272 1298 R C 0.552 176.859 176.300 0.012 0.000 1.074 1298 R CA 0.498 56.534 56.100 -0.106 0.000 1.105 1298 R CB 0.748 30.920 30.300 -0.214 0.000 1.008 1298 R HN 0.955 nan 8.270 nan 0.000 0.472 1299 G N 2.408 111.274 108.800 0.110 0.000 2.391 1299 G HA2 0.133 4.093 3.960 0.000 0.000 0.305 1299 G HA3 0.133 4.093 3.960 0.000 0.000 0.305 1299 G C -0.726 174.163 174.900 -0.018 0.000 1.072 1299 G CA -0.376 44.788 45.100 0.106 0.000 1.016 1299 G HN 0.771 nan 8.290 nan 0.000 0.418 1300 D N 1.233 121.442 120.400 -0.319 0.000 2.599 1300 D HA 0.336 4.976 4.640 0.000 0.000 0.249 1300 D C 1.594 177.270 176.300 -1.040 0.000 1.313 1300 D CA 0.787 54.412 54.000 -0.624 0.000 0.815 1300 D CB 0.811 41.103 40.800 -0.846 0.000 1.077 1300 D HN 0.644 nan 8.370 nan 0.000 0.492 1301 G N 1.035 109.436 108.800 -0.665 0.000 5.045 1301 G HA2 -0.330 3.630 3.960 0.000 0.000 0.229 1301 G HA3 -0.330 3.630 3.960 0.000 0.000 0.229 1301 G C 0.335 174.858 174.900 -0.628 0.000 1.440 1301 G CA 0.232 45.005 45.100 -0.545 0.000 0.936 1301 G HN 0.364 nan 8.290 nan 0.000 0.690 1302 F N -0.089 119.645 119.950 -0.360 0.000 2.362 1302 F HA 0.768 5.295 4.527 0.000 0.000 0.311 1302 F C 0.186 175.690 175.800 -0.494 0.000 1.161 1302 F CA -1.605 56.161 58.000 -0.389 0.000 1.085 1302 F CB 0.375 39.266 39.000 -0.183 0.000 1.311 1302 F HN 0.181 nan 8.300 nan 0.000 0.524 1303 Y N 0.720 121.132 120.300 0.186 0.000 2.575 1303 Y HA 0.412 4.962 4.550 0.000 0.000 0.326 1303 Y C 0.622 176.610 175.900 0.146 0.000 0.979 1303 Y CA -0.721 57.325 58.100 -0.090 0.000 1.286 1303 Y CB 1.635 39.799 38.460 -0.494 0.000 1.093 1303 Y HN 0.625 nan 8.280 nan 0.000 0.501 1304 V N 4.063 124.069 119.914 0.154 0.000 2.825 1304 V HA 0.037 4.157 4.120 0.000 0.000 0.246 1304 V C -0.185 175.864 176.094 -0.075 0.000 1.068 1304 V CA 0.906 63.189 62.300 -0.028 0.000 1.088 1304 V CB 0.031 31.649 31.823 -0.343 0.000 0.733 1304 V HN 0.608 nan 8.190 nan 0.000 0.468 1305 Y N -0.628 119.741 120.300 0.115 0.000 2.342 1305 Y HA 0.474 5.024 4.550 0.000 0.000 0.338 1305 Y C -0.712 175.175 175.900 -0.020 0.000 0.965 1305 Y CA -0.952 57.189 58.100 0.068 0.000 1.159 1305 Y CB 0.784 39.204 38.460 -0.067 0.000 1.157 1305 Y HN 0.225 nan 8.280 nan 0.000 0.486 1306 W N 1.349 122.721 121.300 0.120 0.000 2.689 1306 W HA 0.652 5.312 4.660 0.000 0.000 0.340 1306 W C 0.360 176.913 176.519 0.056 0.000 1.060 1306 W CA -1.050 56.312 57.345 0.028 0.000 1.218 1306 W CB 1.442 30.873 29.460 -0.049 0.000 1.410 1306 W HN 0.600 nan 8.180 nan 0.000 0.528 1307 G N 1.210 110.187 108.800 0.295 0.000 2.616 1307 G HA2 0.199 4.159 3.960 0.000 0.000 0.268 1307 G HA3 0.199 4.159 3.960 0.000 0.000 0.268 1307 G C 0.620 175.714 174.900 0.323 0.000 1.213 1307 G CA -0.432 44.797 45.100 0.216 0.000 0.926 1307 G HN 0.557 nan 8.290 nan 0.000 0.523 1308 Q N -0.039 119.891 119.800 0.217 0.000 2.482 1308 Q HA 0.213 4.553 4.340 0.000 0.000 0.209 1308 Q C 0.841 176.965 176.000 0.208 0.000 0.961 1308 Q CA 0.837 56.767 55.803 0.211 0.000 0.945 1308 Q CB -0.399 28.407 28.738 0.115 0.000 1.012 1308 Q HN 1.722 nan 8.270 nan 0.000 0.515 1309 G N 1.287 110.179 108.800 0.154 0.000 2.722 1309 G HA2 -0.181 3.779 3.960 0.000 0.000 0.686 1309 G HA3 -0.181 3.779 3.960 0.000 0.000 0.686 1309 G C -0.432 174.406 174.900 -0.103 0.000 1.282 1309 G CA -0.114 44.852 45.100 -0.224 0.000 0.817 1309 G HN 0.692 nan 8.290 nan 0.000 0.605 1310 T N -0.920 113.597 114.554 -0.062 0.000 2.841 1310 T HA 0.719 5.069 4.350 0.000 0.000 0.285 1310 T C 0.082 174.816 174.700 0.056 0.000 0.991 1310 T CA 0.113 62.233 62.100 0.032 0.000 0.966 1310 T CB 1.924 70.856 68.868 0.107 0.000 0.962 1310 T HN 1.043 nan 8.240 nan 0.000 0.438 1311 T N 4.852 119.422 114.554 0.027 0.000 2.749 1311 T HA 0.473 4.823 4.350 0.000 0.000 0.295 1311 T C -0.306 174.445 174.700 0.084 0.000 0.936 1311 T CA -0.535 61.587 62.100 0.037 0.000 1.060 1311 T CB 0.542 69.403 68.868 -0.012 0.000 0.904 1311 T HN 0.645 nan 8.240 nan 0.000 0.500 1312 L N 4.074 125.392 121.223 0.158 0.000 2.307 1312 L HA 0.595 4.935 4.340 0.000 0.000 0.284 1312 L C -0.262 176.680 176.870 0.119 0.000 1.023 1312 L CA 0.044 54.978 54.840 0.157 0.000 0.810 1312 L CB 1.607 43.826 42.059 0.266 0.000 1.231 1312 L HN 0.548 nan 8.230 nan 0.000 0.423 1313 T N 4.705 119.308 114.554 0.082 0.000 2.809 1313 T HA 0.550 4.900 4.350 0.000 0.000 0.284 1313 T C -0.842 173.931 174.700 0.122 0.000 0.992 1313 T CA -0.344 61.810 62.100 0.091 0.000 0.957 1313 T CB 1.291 70.169 68.868 0.016 0.000 0.942 1313 T HN 0.339 nan 8.240 nan 0.000 0.439 1314 V N 3.494 123.492 119.914 0.140 0.000 2.334 1314 V HA 0.774 4.894 4.120 0.000 0.000 0.281 1314 V C -0.004 176.183 176.094 0.156 0.000 1.016 1314 V CA -0.384 61.991 62.300 0.125 0.000 0.832 1314 V CB 1.185 33.064 31.823 0.093 0.000 0.999 1314 V HN 0.914 nan 8.190 nan 0.000 0.439 1315 S N 3.003 118.806 115.700 0.172 0.000 2.565 1315 S HA 0.392 4.862 4.470 0.000 0.000 0.269 1315 S C 0.592 175.247 174.600 0.092 0.000 1.153 1315 S CA -0.210 58.085 58.200 0.158 0.000 0.835 1315 S CB 2.322 65.705 63.200 0.306 0.000 1.122 1315 S HN 0.494 nan 8.310 nan 0.000 0.462 1316 S N 1.402 117.112 115.700 0.018 0.000 2.562 1316 S HA 0.332 4.802 4.470 0.000 0.000 0.221 1316 S C 0.843 175.416 174.600 -0.046 0.000 0.975 1316 S CA 0.414 58.610 58.200 -0.008 0.000 0.918 1316 S CB -0.244 62.941 63.200 -0.026 0.000 0.772 1316 S HN 0.936 nan 8.310 nan 0.000 0.531 1317 A N 2.310 125.053 122.820 -0.127 0.000 2.407 1317 A HA 0.540 4.860 4.320 0.000 0.000 0.248 1317 A C 0.661 178.207 177.584 -0.063 0.000 1.082 1317 A CA -0.485 51.392 52.037 -0.266 0.000 0.785 1317 A CB 0.260 18.762 19.000 -0.830 0.000 1.020 1317 A HN 0.390 nan 8.150 nan 0.000 0.489 1318 S N 1.321 117.008 115.700 -0.020 0.000 2.672 1318 S HA 0.512 4.982 4.470 0.000 0.000 0.276 1318 S C 0.202 174.943 174.600 0.236 0.000 1.207 1318 S CA -0.352 57.912 58.200 0.106 0.000 1.002 1318 S CB 0.667 63.905 63.200 0.063 0.000 0.998 1318 S HN 0.696 nan 8.310 nan 0.000 0.542 1319 T N 2.992 117.699 114.554 0.254 0.000 2.867 1319 T HA 0.364 4.714 4.350 0.000 0.000 0.297 1319 T C -0.277 174.584 174.700 0.268 0.000 0.989 1319 T CA 0.193 62.475 62.100 0.304 0.000 1.159 1319 T CB 0.054 69.033 68.868 0.186 0.000 0.928 1319 T HN 0.735 nan 8.240 nan 0.000 0.538 1320 T N 6.265 121.033 114.554 0.357 0.000 2.879 1320 T HA 0.442 4.793 4.350 0.000 0.000 0.290 1320 T C -2.672 172.210 174.700 0.303 0.000 0.993 1320 T CA -1.374 60.887 62.100 0.268 0.000 0.975 1320 T CB 1.857 70.853 68.868 0.212 0.000 0.981 1320 T HN 0.214 nan 8.240 nan 0.000 0.439 1321 P HA 0.263 nan 4.420 nan 0.000 0.271 1321 P C -2.444 174.896 177.300 0.067 0.000 1.218 1321 P CA -1.342 61.872 63.100 0.189 0.000 0.780 1321 P CB -0.121 31.654 31.700 0.125 0.000 0.901 1322 P HA 0.143 nan 4.420 nan 0.000 0.279 1322 P C -0.782 176.467 177.300 -0.085 0.000 1.252 1322 P CA -0.196 62.879 63.100 -0.042 0.000 0.811 1322 P CB 0.810 32.362 31.700 -0.247 0.000 1.035 1323 S N 0.304 115.936 115.700 -0.113 0.000 2.442 1323 S HA 0.364 4.834 4.470 0.000 0.000 0.297 1323 S C -0.158 174.139 174.600 -0.505 0.000 1.131 1323 S CA -0.566 57.441 58.200 -0.322 0.000 1.092 1323 S CB 0.575 63.599 63.200 -0.294 0.000 0.998 1323 S HN 0.174 nan 8.310 nan 0.000 0.478 1324 V N 5.061 124.644 119.914 -0.552 0.000 2.370 1324 V HA 0.439 4.559 4.120 0.000 0.000 0.283 1324 V C -1.189 174.632 176.094 -0.455 0.000 1.023 1324 V CA -0.536 61.523 62.300 -0.403 0.000 0.857 1324 V CB 0.409 32.094 31.823 -0.229 0.000 0.985 1324 V HN 0.839 nan 8.190 nan 0.000 0.443 1325 Y N 6.026 126.336 120.300 0.016 0.000 2.376 1325 Y HA 0.502 5.052 4.550 0.000 0.000 0.340 1325 Y C -2.172 173.751 175.900 0.038 0.000 0.965 1325 Y CA -2.761 55.356 58.100 0.028 0.000 1.078 1325 Y CB 2.659 41.139 38.460 0.034 0.000 1.193 1325 Y HN 0.435 nan 8.280 nan 0.000 0.452 1326 P HA 0.171 nan 4.420 nan 0.000 0.275 1326 P C -0.993 176.392 177.300 0.142 0.000 1.227 1326 P CA -0.071 63.123 63.100 0.156 0.000 0.781 1326 P CB 1.527 33.312 31.700 0.142 0.000 0.906 1327 L N 2.468 123.765 121.223 0.124 0.000 2.337 1327 L HA 0.597 4.937 4.340 0.000 0.000 0.269 1327 L C 0.325 177.202 176.870 0.012 0.000 1.018 1327 L CA -0.616 54.270 54.840 0.077 0.000 0.876 1327 L CB 1.310 43.422 42.059 0.088 0.000 1.236 1327 L HN 0.387 nan 8.230 nan 0.000 0.436 1328 A N 4.774 127.608 122.820 0.023 0.000 2.340 1328 A HA 0.929 5.250 4.320 0.000 0.000 0.331 1328 A C -2.394 175.212 177.584 0.037 0.000 1.140 1328 A CA -1.429 50.606 52.037 -0.004 0.000 0.801 1328 A CB 0.827 19.907 19.000 0.132 0.000 1.234 1328 A HN 0.430 nan 8.150 nan 0.000 0.469 1329 P HA 0.244 nan 4.420 nan 0.000 0.267 1329 P C 0.339 177.694 177.300 0.092 0.000 1.200 1329 P CA 0.318 63.459 63.100 0.067 0.000 0.772 1329 P CB 0.655 32.413 31.700 0.097 0.000 0.855 1338 M N 1.937 121.549 119.600 0.020 0.000 2.508 1338 M HA 0.577 5.057 4.480 0.000 0.000 0.327 1338 M C -0.888 175.422 176.300 0.017 0.000 1.160 1338 M CA -0.751 54.558 55.300 0.015 0.000 0.980 1338 M CB 1.833 34.432 32.600 -0.003 0.000 1.693 1338 M HN 0.448 nan 8.290 nan 0.000 0.452 1339 V N 2.181 122.105 119.914 0.017 0.000 2.513 1339 V HA 0.526 4.646 4.120 0.000 0.000 0.299 1339 V C -0.576 175.463 176.094 -0.092 0.000 1.035 1339 V CA -0.038 62.264 62.300 0.003 0.000 0.889 1339 V CB 2.106 33.989 31.823 0.101 0.000 0.988 1339 V HN 0.890 nan 8.190 nan 0.000 0.440 1340 T N 8.310 122.798 114.554 -0.110 0.000 2.771 1340 T HA 0.609 4.959 4.350 0.000 0.000 0.281 1340 T C -0.356 174.203 174.700 -0.234 0.000 0.982 1340 T CA -0.146 61.858 62.100 -0.160 0.000 0.978 1340 T CB 0.793 69.615 68.868 -0.076 0.000 0.930 1340 T HN 0.524 nan 8.240 nan 0.000 0.447 1341 L N 1.869 122.880 121.223 -0.354 0.000 2.271 1341 L HA 0.983 5.323 4.340 0.000 0.000 0.265 1341 L C 0.682 177.409 176.870 -0.238 0.000 1.013 1341 L CA -0.991 53.618 54.840 -0.385 0.000 0.820 1341 L CB 2.000 43.690 42.059 -0.614 0.000 1.352 1341 L HN 0.789 nan 8.230 nan 0.000 0.443 1342 G N -0.915 107.881 108.800 -0.006 0.000 2.600 1342 G HA2 0.557 4.517 3.960 0.000 0.000 0.293 1342 G HA3 0.557 4.517 3.960 0.000 0.000 0.293 1342 G C -2.291 172.865 174.900 0.427 0.000 1.408 1342 G CA -0.309 44.951 45.100 0.267 0.000 0.782 1342 G HN 0.587 nan 8.290 nan 0.000 0.482 1343 c N -0.406 118.431 118.600 0.396 0.000 2.686 1343 c HA 0.669 5.239 4.570 0.000 0.000 0.318 1343 c C -0.781 173.411 174.090 0.169 0.000 1.160 1343 c CA -0.613 55.837 56.329 0.202 0.000 1.396 1343 c CB 0.931 43.439 42.510 -0.003 0.000 1.924 1343 c HN 0.813 nan 8.230 nan 0.000 0.471 1344 L N 4.750 126.066 121.223 0.156 0.000 2.272 1344 L HA 0.756 5.096 4.340 0.000 0.000 0.289 1344 L C -0.683 176.257 176.870 0.117 0.000 1.032 1344 L CA 0.136 55.076 54.840 0.167 0.000 0.810 1344 L CB 1.259 43.452 42.059 0.223 0.000 1.205 1344 L HN 0.494 nan 8.230 nan 0.000 0.422 1345 V N 6.142 126.121 119.914 0.107 0.000 2.304 1345 V HA 0.478 4.598 4.120 0.000 0.000 0.278 1345 V C -0.140 176.073 176.094 0.198 0.000 1.018 1345 V CA -0.656 61.679 62.300 0.059 0.000 0.814 1345 V CB 0.667 32.480 31.823 -0.016 0.000 1.021 1345 V HN 0.846 nan 8.190 nan 0.000 0.440 1346 K N 2.126 122.628 120.400 0.171 0.000 2.400 1346 K HA 0.842 5.163 4.320 0.000 0.000 0.246 1346 K C 0.547 177.261 176.600 0.190 0.000 0.995 1346 K CA -0.370 56.044 56.287 0.211 0.000 0.840 1346 K CB 2.074 34.688 32.500 0.190 0.000 1.293 1346 K HN 0.839 nan 8.250 nan 0.000 0.445 1347 G N 1.120 109.995 108.800 0.125 0.000 2.295 1347 G HA2 -0.283 3.677 3.960 0.000 0.000 0.287 1347 G HA3 -0.283 3.677 3.960 0.000 0.000 0.287 1347 G C -0.603 174.375 174.900 0.130 0.000 1.055 1347 G CA 1.019 46.170 45.100 0.084 0.000 0.922 1347 G HN 0.750 nan 8.290 nan 0.000 0.503 1348 Y N -2.374 117.971 120.300 0.075 0.000 2.602 1348 Y HA 0.890 5.441 4.550 0.000 0.000 0.330 1348 Y C -0.463 175.609 175.900 0.287 0.000 1.114 1348 Y CA -2.979 55.138 58.100 0.029 0.000 1.182 1348 Y CB 1.503 39.777 38.460 -0.311 0.000 1.305 1348 Y HN 0.394 nan 8.280 nan 0.000 0.502 1349 F N 2.635 122.740 119.950 0.258 0.000 2.669 1349 F HA 0.562 5.089 4.527 0.000 0.000 0.315 1349 F C -2.990 173.071 175.800 0.436 0.000 1.109 1349 F CA -1.890 56.301 58.000 0.318 0.000 1.028 1349 F CB 2.296 41.410 39.000 0.190 0.000 1.287 1349 F HN 0.465 nan 8.300 nan 0.000 0.452 1350 P HA 0.286 nan 4.420 nan 0.000 0.336 1350 P C -0.983 176.226 177.300 -0.151 0.000 1.288 1350 P CA -0.247 62.397 63.100 -0.760 0.000 0.766 1350 P CB 1.364 32.560 31.700 -0.840 0.000 1.461 1351 E N 0.066 120.024 120.200 -0.403 0.000 2.371 1351 E HA 0.295 4.645 4.350 0.000 0.000 0.257 1351 E C -1.732 174.815 176.600 -0.088 0.000 1.134 1351 E CA -1.054 55.201 56.400 -0.243 0.000 0.919 1351 E CB 0.004 29.439 29.700 -0.442 0.000 1.025 1351 E HN 0.433 nan 8.360 nan 0.000 0.438 1352 P HA 0.445 nan 4.420 nan 0.000 0.309 1352 P C -0.943 176.362 177.300 0.008 0.000 1.302 1352 P CA -0.603 62.485 63.100 -0.020 0.000 0.835 1352 P CB 1.520 33.194 31.700 -0.044 0.000 1.324 1353 V N -0.561 119.301 119.914 -0.086 0.000 3.007 1353 V HA 0.559 4.679 4.120 0.000 0.000 0.311 1353 V C -0.228 175.794 176.094 -0.121 0.000 1.120 1353 V CA -0.412 61.777 62.300 -0.185 0.000 0.980 1353 V CB 2.302 33.820 31.823 -0.508 0.000 1.033 1353 V HN 0.900 nan 8.190 nan 0.000 0.429 1354 T N 0.590 115.073 114.554 -0.118 0.000 2.841 1354 T HA 0.850 5.200 4.350 0.000 0.000 0.283 1354 T C -1.076 173.549 174.700 -0.125 0.000 1.000 1354 T CA -0.701 61.342 62.100 -0.094 0.000 0.977 1354 T CB 1.672 70.496 68.868 -0.072 0.000 0.979 1354 T HN 0.407 nan 8.240 nan 0.000 0.446 1355 V N 3.033 122.877 119.914 -0.116 0.000 2.588 1355 V HA 0.813 4.933 4.120 0.000 0.000 0.304 1355 V C 0.293 176.284 176.094 -0.172 0.000 1.042 1355 V CA -0.705 61.483 62.300 -0.187 0.000 0.877 1355 V CB 1.761 33.477 31.823 -0.178 0.000 0.996 1355 V HN 1.326 nan 8.190 nan 0.000 0.425 1356 T N -0.231 114.166 114.554 -0.262 0.000 2.887 1356 T HA 0.765 5.115 4.350 0.000 0.000 0.292 1356 T C -1.555 172.946 174.700 -0.331 0.000 1.087 1356 T CA -0.763 61.246 62.100 -0.151 0.000 1.009 1356 T CB 2.030 70.858 68.868 -0.067 0.000 1.203 1356 T HN 0.463 nan 8.240 nan 0.000 0.518 1357 W N 0.613 121.897 121.300 -0.027 0.000 2.683 1357 W HA 0.562 5.223 4.660 0.000 0.000 0.329 1357 W C -0.185 176.326 176.519 -0.014 0.000 1.037 1357 W CA -0.391 56.940 57.345 -0.024 0.000 1.232 1357 W CB 1.055 30.494 29.460 -0.035 0.000 1.390 1357 W HN 0.827 nan 8.180 nan 0.000 0.465 1358 N N 1.841 120.657 118.700 0.194 0.000 2.725 1358 N HA -0.237 4.503 4.740 0.000 0.000 0.251 1358 N C 0.219 175.773 175.510 0.073 0.000 1.031 1358 N CA 1.597 54.722 53.050 0.125 0.000 0.720 1358 N CB -1.609 36.963 38.487 0.141 0.000 0.930 1358 N HN 0.512 nan 8.380 nan 0.000 0.543 1359 S N -2.650 113.070 115.700 0.033 0.000 3.533 1359 S HA -0.153 4.317 4.470 0.000 0.000 0.347 1359 S C 1.423 176.037 174.600 0.024 0.000 1.101 1359 S CA 1.869 60.075 58.200 0.011 0.000 1.009 1359 S CB -1.519 61.687 63.200 0.009 0.000 0.916 1359 S HN 1.622 nan 8.310 nan 0.000 0.496 1360 G N -0.920 107.908 108.800 0.047 0.000 2.194 1360 G HA2 -0.306 3.654 3.960 0.000 0.000 0.236 1360 G HA3 -0.306 3.654 3.960 0.000 0.000 0.236 1360 G C 0.819 175.751 174.900 0.054 0.000 0.987 1360 G CA 0.578 45.707 45.100 0.048 0.000 0.635 1360 G HN 0.770 nan 8.290 nan 0.000 0.520 1361 S N -0.300 115.436 115.700 0.061 0.000 2.447 1361 S HA 0.196 4.666 4.470 0.000 0.000 0.233 1361 S C 0.966 175.597 174.600 0.053 0.000 1.006 1361 S CA 0.719 58.950 58.200 0.052 0.000 0.957 1361 S CB -0.051 63.181 63.200 0.054 0.000 0.773 1361 S HN 0.482 nan 8.310 nan 0.000 0.507 1362 L N 0.879 122.151 121.223 0.082 0.000 2.298 1362 L HA 0.390 4.730 4.340 0.000 0.000 0.284 1362 L C 0.324 177.229 176.870 0.057 0.000 1.013 1362 L CA -0.310 54.561 54.840 0.051 0.000 0.824 1362 L CB 1.898 43.988 42.059 0.051 0.000 1.221 1362 L HN 0.018 nan 8.230 nan 0.000 0.418 1363 S N -0.356 115.347 115.700 0.005 0.000 3.039 1363 S HA 0.127 4.597 4.470 0.000 0.000 0.251 1363 S C 0.723 175.286 174.600 -0.061 0.000 1.064 1363 S CA -0.255 57.944 58.200 -0.003 0.000 0.822 1363 S CB 0.585 63.786 63.200 0.002 0.000 0.802 1363 S HN 0.564 nan 8.310 nan 0.000 0.519 1364 S N 0.686 116.343 115.700 -0.071 0.000 2.580 1364 S HA 0.428 4.898 4.470 0.000 0.000 0.266 1364 S C 1.355 175.855 174.600 -0.167 0.000 1.354 1364 S CA 0.490 58.629 58.200 -0.103 0.000 1.008 1364 S CB 0.092 63.248 63.200 -0.074 0.000 0.898 1364 S HN 0.864 nan 8.310 nan 0.000 0.555 1365 G N -0.354 108.316 108.800 -0.217 0.000 2.212 1365 G HA2 -0.232 3.728 3.960 0.000 0.000 0.267 1365 G HA3 -0.232 3.728 3.960 0.000 0.000 0.267 1365 G C -0.014 174.637 174.900 -0.415 0.000 1.002 1365 G CA 0.390 45.315 45.100 -0.292 0.000 0.729 1365 G HN 0.636 nan 8.290 nan 0.000 0.517 1366 V N 1.370 121.034 119.914 -0.417 0.000 2.483 1366 V HA 0.612 4.732 4.120 0.000 0.000 0.295 1366 V C -0.228 175.609 176.094 -0.429 0.000 1.035 1366 V CA -0.948 61.135 62.300 -0.361 0.000 0.896 1366 V CB 1.786 33.530 31.823 -0.131 0.000 0.986 1366 V HN 0.347 nan 8.190 nan 0.000 0.447 1367 H N 2.067 121.062 119.070 -0.125 0.000 2.970 1367 H HA 0.380 4.936 4.556 0.000 0.000 0.315 1367 H C -0.480 174.633 175.328 -0.359 0.000 0.992 1367 H CA -0.410 55.457 56.048 -0.302 0.000 1.363 1367 H CB 1.816 31.335 29.762 -0.405 0.000 1.532 1367 H HN 0.521 nan 8.280 nan 0.000 0.514 1368 T N 5.013 119.468 114.554 -0.165 0.000 2.743 1368 T HA 0.288 4.638 4.350 0.000 0.000 0.292 1368 T C 0.310 174.886 174.700 -0.206 0.000 0.972 1368 T CA -0.449 61.612 62.100 -0.064 0.000 0.967 1368 T CB -0.036 68.854 68.868 0.038 0.000 0.926 1368 T HN 0.163 nan 8.240 nan 0.000 0.459 1369 F N 4.179 124.197 119.950 0.115 0.000 2.412 1369 F HA 0.364 4.891 4.527 0.000 0.000 0.348 1369 F C -1.660 174.190 175.800 0.083 0.000 1.102 1369 F CA -2.462 55.589 58.000 0.085 0.000 1.196 1369 F CB 0.041 39.087 39.000 0.077 0.000 1.144 1369 F HN 0.343 nan 8.300 nan 0.000 0.541 1370 P HA 0.085 nan 4.420 nan 0.000 0.267 1370 P C -0.788 176.627 177.300 0.192 0.000 1.200 1370 P CA -0.175 63.020 63.100 0.158 0.000 0.772 1370 P CB 0.467 32.244 31.700 0.129 0.000 0.855 1371 A N 2.453 125.379 122.820 0.176 0.000 2.386 1371 A HA 0.400 4.720 4.320 0.000 0.000 0.248 1371 A C -0.335 177.391 177.584 0.237 0.000 1.082 1371 A CA -0.095 52.077 52.037 0.224 0.000 0.789 1371 A CB 0.142 19.267 19.000 0.210 0.000 1.025 1371 A HN 0.374 nan 8.150 nan 0.000 0.490 1372 V N 2.716 122.762 119.914 0.220 0.000 2.487 1372 V HA 0.277 4.397 4.120 0.000 0.000 0.298 1372 V C -0.487 175.645 176.094 0.064 0.000 1.028 1372 V CA -0.524 61.862 62.300 0.143 0.000 0.860 1372 V CB 1.452 33.323 31.823 0.079 0.000 0.991 1372 V HN 0.805 nan 8.190 nan 0.000 0.427 1373 L N 5.189 126.389 121.223 -0.039 0.000 2.342 1373 L HA 0.383 4.723 4.340 0.000 0.000 0.285 1373 L C 0.033 176.791 176.870 -0.187 0.000 1.095 1373 L CA 0.823 55.467 54.840 -0.326 0.000 0.843 1373 L CB 0.476 42.304 42.059 -0.384 0.000 1.201 1373 L HN 0.766 nan 8.230 nan 0.000 0.445 1374 Q N 4.180 123.872 119.800 -0.181 0.000 2.339 1374 Q HA 0.204 4.544 4.340 0.000 0.000 0.268 1374 Q C -0.025 175.902 176.000 -0.123 0.000 1.027 1374 Q CA -0.043 55.693 55.803 -0.111 0.000 0.759 1374 Q CB 1.264 29.963 28.738 -0.064 0.000 1.244 1374 Q HN 0.809 nan 8.270 nan 0.000 0.464 1375 S N 4.887 120.520 115.700 -0.111 0.000 3.711 1375 S HA -0.148 4.322 4.470 0.000 0.000 0.374 1375 S C -0.218 174.291 174.600 -0.151 0.000 0.969 1375 S CA 1.147 59.283 58.200 -0.108 0.000 1.198 1375 S CB -1.271 61.883 63.200 -0.078 0.000 0.903 1375 S HN 0.978 nan 8.310 nan 0.000 0.493 1376 D N -1.174 119.106 120.400 -0.200 0.000 3.059 1376 D HA -0.202 4.439 4.640 0.000 0.000 0.220 1376 D C -0.086 176.017 176.300 -0.328 0.000 1.169 1376 D CA 1.685 55.516 54.000 -0.283 0.000 0.902 1376 D CB -1.267 39.369 40.800 -0.274 0.000 1.116 1376 D HN 0.700 nan 8.370 nan 0.000 0.417 1377 L N -0.177 120.886 121.223 -0.266 0.000 2.422 1377 L HA 0.426 4.766 4.340 0.000 0.000 0.264 1377 L C -0.297 176.402 176.870 -0.287 0.000 0.984 1377 L CA -1.018 53.711 54.840 -0.184 0.000 0.819 1377 L CB 1.643 43.645 42.059 -0.095 0.000 1.330 1377 L HN -0.203 nan 8.230 nan 0.000 0.410 1378 Y N 0.513 120.643 120.300 -0.283 0.000 2.320 1378 Y HA 0.486 5.036 4.550 0.000 0.000 0.324 1378 Y C 0.451 176.086 175.900 -0.440 0.000 1.190 1378 Y CA -0.121 57.692 58.100 -0.479 0.000 1.215 1378 Y CB 1.941 39.837 38.460 -0.939 0.000 1.221 1378 Y HN 0.373 nan 8.280 nan 0.000 0.486 1379 T N 4.671 119.238 114.554 0.022 0.000 2.916 1379 T HA 0.604 4.954 4.350 0.000 0.000 0.298 1379 T C -1.489 173.344 174.700 0.222 0.000 1.031 1379 T CA -0.694 61.491 62.100 0.142 0.000 0.993 1379 T CB 1.116 70.041 68.868 0.094 0.000 1.045 1379 T HN 0.574 nan 8.240 nan 0.000 0.454 1380 L N 2.336 123.730 121.223 0.284 0.000 2.415 1380 L HA 0.921 5.261 4.340 0.000 0.000 0.256 1380 L C -1.002 175.999 176.870 0.217 0.000 1.010 1380 L CA -0.487 54.509 54.840 0.259 0.000 0.826 1380 L CB 2.141 44.374 42.059 0.291 0.000 1.405 1380 L HN 0.795 nan 8.230 nan 0.000 0.410 1381 S N 1.166 117.019 115.700 0.255 0.000 2.627 1381 S HA 0.821 5.291 4.470 0.000 0.000 0.283 1381 S C -1.024 173.834 174.600 0.431 0.000 1.127 1381 S CA -0.613 57.748 58.200 0.269 0.000 0.863 1381 S CB 1.807 65.109 63.200 0.169 0.000 1.121 1381 S HN 0.781 nan 8.310 nan 0.000 0.479 1382 S N 0.761 116.714 115.700 0.422 0.000 2.572 1382 S HA 0.728 5.198 4.470 0.000 0.000 0.274 1382 S C -0.883 174.050 174.600 0.554 0.000 1.150 1382 S CA -0.346 58.153 58.200 0.499 0.000 0.944 1382 S CB 1.182 64.641 63.200 0.431 0.000 1.071 1382 S HN 1.488 nan 8.310 nan 0.000 0.479 1383 S N 2.687 118.632 115.700 0.407 0.000 2.607 1383 S HA 0.890 5.361 4.470 0.000 0.000 0.303 1383 S C -0.828 173.632 174.600 -0.234 0.000 1.086 1383 S CA -0.756 57.523 58.200 0.133 0.000 0.995 1383 S CB 1.661 64.993 63.200 0.220 0.000 1.084 1383 S HN 1.231 nan 8.310 nan 0.000 0.507 1384 V N 1.402 120.971 119.914 -0.576 0.000 2.733 1384 V HA 0.675 4.795 4.120 0.000 0.000 0.306 1384 V C -1.182 174.620 176.094 -0.486 0.000 1.084 1384 V CA -0.116 61.735 62.300 -0.749 0.000 0.905 1384 V CB 2.117 33.059 31.823 -1.468 0.000 1.010 1384 V HN 1.138 nan 8.190 nan 0.000 0.424 1385 T N 6.391 120.746 114.554 -0.332 0.000 2.779 1385 T HA 0.731 5.081 4.350 0.000 0.000 0.280 1385 T C -0.457 174.136 174.700 -0.178 0.000 0.987 1385 T CA -0.227 61.746 62.100 -0.212 0.000 0.966 1385 T CB 1.329 70.121 68.868 -0.126 0.000 0.933 1385 T HN 1.229 nan 8.240 nan 0.000 0.442 1386 V N 1.427 121.262 119.914 -0.132 0.000 3.160 1386 V HA 0.815 4.935 4.120 0.000 0.000 0.310 1386 V C -3.156 172.930 176.094 -0.013 0.000 1.181 1386 V CA -3.368 58.889 62.300 -0.071 0.000 1.047 1386 V CB 1.738 33.525 31.823 -0.059 0.000 1.068 1386 V HN 0.468 nan 8.190 nan 0.000 0.441 1387 P HA 0.245 nan 4.420 nan 0.000 0.269 1387 P C 0.721 178.059 177.300 0.064 0.000 1.209 1387 P CA 0.294 63.410 63.100 0.027 0.000 0.776 1387 P CB 0.746 32.460 31.700 0.022 0.000 0.876 1388 S N 0.714 116.453 115.700 0.065 0.000 2.469 1388 S HA -0.125 4.345 4.470 0.000 0.000 0.238 1388 S C 1.694 176.343 174.600 0.081 0.000 0.998 1388 S CA 1.606 59.863 58.200 0.096 0.000 0.957 1388 S CB -0.693 62.550 63.200 0.070 0.000 0.764 1388 S HN 0.631 nan 8.310 nan 0.000 0.514 1389 S N 1.575 117.308 115.700 0.055 0.000 2.436 1389 S HA 0.083 4.553 4.470 0.000 0.000 0.228 1389 S C -1.066 173.561 174.600 0.044 0.000 1.014 1389 S CA 0.305 58.526 58.200 0.035 0.000 0.950 1389 S CB -1.448 61.766 63.200 0.022 0.000 0.784 1389 S HN 0.360 nan 8.310 nan 0.000 0.504 1390 P HA 0.155 nan 4.420 nan 0.000 0.227 1390 P C -0.207 177.195 177.300 0.171 0.000 1.161 1390 P CA 0.660 63.819 63.100 0.099 0.000 0.788 1390 P CB 0.116 31.871 31.700 0.091 0.000 0.822 1391 W N -0.269 121.028 121.300 -0.005 0.000 3.129 1391 W HA 0.379 5.039 4.660 0.000 0.000 0.333 1391 W C -2.514 174.007 176.519 0.003 0.000 1.141 1391 W CA -2.127 55.220 57.345 0.002 0.000 1.224 1391 W CB 1.556 31.015 29.460 -0.002 0.000 1.393 1391 W HN -0.209 nan 8.180 nan 0.000 0.499 1392 P HA -0.009 nan 4.420 nan 0.000 0.247 1392 P C 1.236 178.254 177.300 -0.470 0.000 1.225 1392 P CA 0.847 63.186 63.100 -1.269 0.000 0.768 1392 P CB 0.450 31.411 31.700 -1.231 0.000 1.020 1393 S N -0.284 115.275 115.700 -0.235 0.000 2.380 1393 S HA -0.149 4.321 4.470 0.000 0.000 0.229 1393 S C 0.799 175.359 174.600 -0.066 0.000 1.043 1393 S CA 1.364 59.497 58.200 -0.112 0.000 1.038 1393 S CB -0.320 62.853 63.200 -0.046 0.000 0.872 1393 S HN 0.395 nan 8.310 nan 0.000 0.456 1394 E N 0.096 120.288 120.200 -0.013 0.000 2.288 1394 E HA 0.347 4.698 4.350 0.000 0.000 0.268 1394 E C -0.966 175.712 176.600 0.130 0.000 0.885 1394 E CA -0.469 55.960 56.400 0.048 0.000 0.767 1394 E CB 1.620 31.362 29.700 0.070 0.000 1.220 1394 E HN -0.032 nan 8.360 nan 0.000 0.427 1395 T N 1.154 115.789 114.554 0.136 0.000 2.926 1395 T HA 0.172 4.522 4.350 0.000 0.000 0.307 1395 T C -0.157 174.717 174.700 0.290 0.000 1.059 1395 T CA -0.167 62.067 62.100 0.223 0.000 1.122 1395 T CB 0.513 69.470 68.868 0.149 0.000 0.972 1395 T HN 0.085 nan 8.240 nan 0.000 0.545 1396 V N 3.147 123.285 119.914 0.373 0.000 2.540 1396 V HA 0.536 4.656 4.120 0.000 0.000 0.302 1396 V C 0.007 176.268 176.094 0.279 0.000 1.035 1396 V CA -0.666 61.808 62.300 0.290 0.000 0.873 1396 V CB 2.276 34.191 31.823 0.154 0.000 0.992 1396 V HN 1.016 nan 8.190 nan 0.000 0.428 1397 T N 3.289 118.002 114.554 0.264 0.000 2.886 1397 T HA 0.404 4.754 4.350 0.000 0.000 0.292 1397 T C -0.411 174.285 174.700 -0.008 0.000 1.012 1397 T CA -0.449 61.732 62.100 0.136 0.000 0.982 1397 T CB 1.278 70.186 68.868 0.067 0.000 1.018 1397 T HN 0.953 nan 8.240 nan 0.000 0.451 1398 c N 2.733 121.140 118.600 -0.322 0.000 2.319 1398 c HA 0.745 5.315 4.570 0.000 0.000 0.335 1398 c C -0.108 173.702 174.090 -0.465 0.000 1.274 1398 c CA -1.206 54.599 56.329 -0.875 0.000 1.806 1398 c CB -0.994 40.658 42.510 -1.429 0.000 2.329 1398 c HN 0.889 nan 8.230 nan 0.000 0.524 1399 N N 2.006 120.455 118.700 -0.418 0.000 2.437 1399 N HA 0.576 5.316 4.740 0.000 0.000 0.259 1399 N C -1.014 174.344 175.510 -0.254 0.000 0.983 1399 N CA -0.463 52.438 53.050 -0.249 0.000 0.937 1399 N CB 1.714 40.102 38.487 -0.165 0.000 1.122 1399 N HN 0.643 nan 8.380 nan 0.000 0.499 1400 V N 1.188 120.975 119.914 -0.211 0.000 2.448 1400 V HA 0.799 4.919 4.120 0.000 0.000 0.295 1400 V C -0.211 175.796 176.094 -0.144 0.000 1.025 1400 V CA -0.816 61.365 62.300 -0.197 0.000 0.859 1400 V CB 1.197 32.892 31.823 -0.213 0.000 0.988 1400 V HN 0.779 nan 8.190 nan 0.000 0.431 1401 A N 3.184 125.927 122.820 -0.129 0.000 2.355 1401 A HA 0.721 5.041 4.320 0.000 0.000 0.317 1401 A C -0.649 176.902 177.584 -0.055 0.000 1.094 1401 A CA -0.501 51.485 52.037 -0.084 0.000 0.764 1401 A CB 0.893 19.848 19.000 -0.076 0.000 1.230 1401 A HN 1.002 nan 8.150 nan 0.000 0.448 1402 H N 5.111 124.087 119.070 -0.157 0.000 2.716 1402 H HA 0.258 4.814 4.556 0.000 0.000 0.260 1402 H C -2.085 173.186 175.328 -0.095 0.000 1.280 1402 H CA -1.998 53.951 56.048 -0.165 0.000 1.506 1402 H CB 1.626 31.276 29.762 -0.187 0.000 1.514 1402 H HN 0.468 nan 8.280 nan 0.000 0.502 1403 P HA -0.197 nan 4.420 nan 0.000 0.216 1403 P C 1.381 178.503 177.300 -0.297 0.000 1.150 1403 P CA 1.531 64.508 63.100 -0.206 0.000 0.843 1403 P CB 0.216 31.837 31.700 -0.131 0.000 0.787 1404 A N 0.670 123.183 122.820 -0.513 0.000 1.933 1404 A HA -0.140 4.180 4.320 0.000 0.000 0.218 1404 A C 2.191 179.586 177.584 -0.315 0.000 1.175 1404 A CA 2.289 54.084 52.037 -0.404 0.000 0.628 1404 A CB -1.242 17.523 19.000 -0.392 0.000 0.814 1404 A HN 0.418 nan 8.150 nan 0.000 0.444 1405 S N -2.083 113.362 115.700 -0.426 0.000 2.568 1405 S HA 0.293 4.763 4.470 0.000 0.000 0.232 1405 S C 0.506 175.068 174.600 -0.063 0.000 0.975 1405 S CA 0.673 58.815 58.200 -0.098 0.000 0.949 1405 S CB -0.286 62.989 63.200 0.127 0.000 0.829 1405 S HN 0.708 nan 8.310 nan 0.000 0.479 1406 S N 1.703 117.333 115.700 -0.116 0.000 3.521 1406 S HA -0.146 4.324 4.470 0.000 0.000 0.362 1406 S C 0.418 174.996 174.600 -0.036 0.000 1.044 1406 S CA 1.047 59.206 58.200 -0.069 0.000 1.091 1406 S CB -2.567 60.605 63.200 -0.046 0.000 0.908 1406 S HN 1.111 nan 8.310 nan 0.000 0.473 1407 T N -1.008 113.534 114.554 -0.020 0.000 2.867 1407 T HA 0.692 5.042 4.350 0.000 0.000 0.282 1407 T C -0.626 174.061 174.700 -0.022 0.000 1.000 1407 T CA -0.789 61.311 62.100 -0.001 0.000 1.042 1407 T CB 1.749 70.641 68.868 0.040 0.000 0.973 1407 T HN 0.258 nan 8.240 nan 0.000 0.465 1408 K N 2.196 122.576 120.400 -0.034 0.000 2.578 1408 K HA 0.617 4.938 4.320 0.000 0.000 0.250 1408 K C -1.547 175.019 176.600 -0.056 0.000 0.955 1408 K CA -0.826 55.431 56.287 -0.050 0.000 0.825 1408 K CB 2.498 34.971 32.500 -0.044 0.000 1.151 1408 K HN 0.481 nan 8.250 nan 0.000 0.432 1409 V N 2.327 122.194 119.914 -0.078 0.000 2.656 1409 V HA 0.319 4.439 4.120 0.000 0.000 0.307 1409 V C -0.984 175.051 176.094 -0.098 0.000 1.051 1409 V CA -0.912 61.338 62.300 -0.082 0.000 0.893 1409 V CB 2.080 33.844 31.823 -0.099 0.000 0.999 1409 V HN 0.696 nan 8.190 nan 0.000 0.426 1410 D N 3.790 124.145 120.400 -0.075 0.000 2.453 1410 D HA 0.344 4.984 4.640 0.000 0.000 0.238 1410 D C -0.441 175.825 176.300 -0.056 0.000 1.088 1410 D CA -0.517 53.438 54.000 -0.075 0.000 0.854 1410 D CB 1.925 42.698 40.800 -0.045 0.000 1.076 1410 D HN 0.173 nan 8.370 nan 0.000 0.533 1411 K N 2.271 122.624 120.400 -0.078 0.000 2.293 1411 K HA 0.263 4.583 4.320 0.000 0.000 0.267 1411 K C -0.136 176.473 176.600 0.016 0.000 1.010 1411 K CA -0.533 55.733 56.287 -0.034 0.000 0.875 1411 K CB 1.178 33.644 32.500 -0.056 0.000 1.106 1411 K HN 0.223 nan 8.250 nan 0.000 0.450 1412 K N 3.341 123.778 120.400 0.061 0.000 2.249 1412 K HA 0.272 4.592 4.320 0.000 0.000 0.280 1412 K C 0.236 176.933 176.600 0.160 0.000 1.033 1412 K CA -0.571 55.788 56.287 0.120 0.000 0.946 1412 K CB 0.842 33.413 32.500 0.118 0.000 1.005 1412 K HN 0.326 nan 8.250 nan 0.000 0.469 1413 I N 4.485 125.190 120.570 0.225 0.000 2.278 1413 I HA 0.057 4.227 4.170 0.000 0.000 0.296 1413 I C 0.033 176.382 176.117 0.387 0.000 1.121 1413 I CA -0.406 61.037 61.300 0.237 0.000 1.267 1413 I CB 0.074 38.137 38.000 0.105 0.000 1.447 1413 I HN 0.231 nan 8.210 nan 0.000 0.509 1414 V N 9.398 129.485 119.914 0.287 0.000 2.488 1414 V HA 0.203 4.323 4.120 0.000 0.000 0.277 1414 V C -1.814 174.474 176.094 0.324 0.000 1.046 1414 V CA -1.365 61.096 62.300 0.268 0.000 0.986 1414 V CB 0.758 32.676 31.823 0.158 0.000 0.989 1414 V HN 0.527 nan 8.190 nan 0.000 0.475 1415 P HA 0.147 nan 4.420 nan 0.000 0.270 1415 P C -0.399 176.994 177.300 0.154 0.000 1.227 1415 P CA -0.177 63.059 63.100 0.227 0.000 0.788 1415 P CB 0.218 31.857 31.700 -0.103 0.000 0.926 1416 R N 0.244 120.833 120.500 0.148 0.000 1.884 1416 R HA -0.089 4.251 4.340 0.000 0.000 0.377 1416 R C -0.741 175.618 176.300 0.099 0.000 1.211 1416 R CA 0.698 56.856 56.100 0.098 0.000 1.026 1416 R CB -1.667 28.666 30.300 0.055 0.000 3.052 1416 R HN 0.606 nan 8.270 nan 0.000 0.489 1417 D N 0.000 120.456 120.400 0.094 0.000 6.856 1417 D HA 0.000 4.640 4.640 0.000 0.000 0.175 1417 D CA 0.000 54.045 54.000 0.075 0.000 0.868 1417 D CB 0.000 40.855 40.800 0.092 0.000 0.688 1417 D HN 0.000 nan 8.370 nan 0.000 0.683