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 1l7d_1_D DATA FIRST_RESID 1201 DATA SEQUENCE MKIAIPKERR PGEDRVAISP EVVKKLVGLG FEVIVEQGAG VGASITDDAL DATA SEQUENCE TAAGATIAST AAQALSQADV VWKVQRPMTA EEGTDEVALI KEGAVLMCHL DATA SEQUENCE GALTNRPVVE ALTKRKITAY AMELMPRISR AQSMDILSSQ SNLAGYRAVI DATA SEQUENCE DGAYEFARAF PMMMTAAGTV PPARVLVFGV GVAGLQAIAT AKRLGAVVMA DATA SEQUENCE TDVRAATKEQ VESLGGKFIT XXXXXXXXXX XXXXXXXXXX XXXXKKQAEA DATA SEQUENCE VLKELVKTDI AITTALIPGK PAPVLITEEM VTKMKPGSVI IDLAVEAGGN DATA SEQUENCE CPLSEPGKIV VKHGVKIVGH TNVPSRVAAD ASPLFAKNLL NFLTPHVDKD DATA SEQUENCE TKTLVMKLED ETVSGTCVTR DGAIVHP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1201 M HA 0.000 nan 4.480 nan 0.000 0.227 1201 M C 0.000 176.292 176.300 -0.013 0.000 1.140 1201 M CA 0.000 55.187 55.300 -0.188 0.000 0.988 1201 M CB 0.000 32.229 32.600 -0.618 0.000 1.302 1202 K N 3.381 123.825 120.400 0.074 0.000 2.413 1202 K HA 0.761 5.081 4.320 0.000 0.000 0.257 1202 K C -1.937 174.718 176.600 0.091 0.000 0.946 1202 K CA -0.528 55.813 56.287 0.090 0.000 0.823 1202 K CB 1.946 34.466 32.500 0.034 0.000 1.109 1202 K HN 0.818 nan 8.250 nan 0.000 0.427 1203 I N 3.467 124.056 120.570 0.032 0.000 2.378 1203 I HA 0.546 4.716 4.170 0.000 0.000 0.291 1203 I C -1.208 174.815 176.117 -0.156 0.000 0.992 1203 I CA -0.425 60.775 61.300 -0.167 0.000 1.154 1203 I CB 1.495 39.173 38.000 -0.537 0.000 1.315 1203 I HN 0.804 nan 8.210 nan 0.000 0.448 1204 A N 7.538 130.294 122.820 -0.108 0.000 2.355 1204 A HA 0.842 5.162 4.320 0.000 0.000 0.324 1204 A C -1.250 176.330 177.584 -0.007 0.000 1.117 1204 A CA -0.497 51.512 52.037 -0.047 0.000 0.785 1204 A CB 1.211 20.209 19.000 -0.004 0.000 1.254 1204 A HN 0.597 nan 8.150 nan 0.000 0.453 1205 I N 3.406 123.987 120.570 0.017 0.000 2.439 1205 I HA 0.433 4.603 4.170 0.000 0.000 0.285 1205 I C -2.295 173.853 176.117 0.051 0.000 1.021 1205 I CA -1.562 59.782 61.300 0.074 0.000 1.091 1205 I CB 2.308 40.367 38.000 0.098 0.000 1.242 1205 I HN 0.462 nan 8.210 nan 0.000 0.439 1206 P HA 0.278 nan 4.420 nan 0.000 0.284 1206 P C -1.029 176.282 177.300 0.019 0.000 1.287 1206 P CA -0.905 62.213 63.100 0.030 0.000 0.824 1206 P CB 1.401 33.119 31.700 0.031 0.000 1.180 1207 K N 0.797 121.201 120.400 0.007 0.000 2.237 1207 K HA 0.106 4.426 4.320 0.000 0.000 0.270 1207 K C 0.076 176.667 176.600 -0.014 0.000 1.015 1207 K CA -0.284 56.000 56.287 -0.006 0.000 0.949 1207 K CB 0.365 32.861 32.500 -0.007 0.000 0.976 1207 K HN 0.320 nan 8.250 nan 0.000 0.472 1208 E N 3.321 123.503 120.200 -0.031 0.000 2.316 1208 E HA 0.042 4.393 4.350 0.000 0.000 0.275 1208 E C 0.483 177.064 176.600 -0.032 0.000 1.029 1208 E CA -0.058 56.317 56.400 -0.042 0.000 0.871 1208 E CB 1.173 30.830 29.700 -0.071 0.000 1.022 1208 E HN 0.505 nan 8.360 nan 0.000 0.418 1209 R N 1.953 122.437 120.500 -0.026 0.000 2.254 1209 R HA 0.117 4.458 4.340 0.000 0.000 0.193 1209 R C 0.425 176.711 176.300 -0.024 0.000 0.929 1209 R CA 0.032 56.119 56.100 -0.021 0.000 1.038 1209 R CB 0.229 30.522 30.300 -0.012 0.000 1.009 1209 R HN 0.349 nan 8.270 nan 0.000 0.512 1210 R N 2.787 123.269 120.500 -0.030 0.000 2.585 1210 R HA 0.051 4.391 4.340 0.000 0.000 0.275 1210 R C -2.019 174.262 176.300 -0.032 0.000 1.018 1210 R CA -1.088 54.994 56.100 -0.031 0.000 1.072 1210 R CB -0.125 30.152 30.300 -0.039 0.000 0.953 1210 R HN 0.024 nan 8.270 nan 0.000 0.419 1211 P HA -0.102 nan 4.420 nan 0.000 0.264 1211 P C 0.603 177.886 177.300 -0.030 0.000 1.183 1211 P CA 0.777 63.862 63.100 -0.024 0.000 0.763 1211 P CB 0.774 32.463 31.700 -0.018 0.000 0.807 1212 G N 2.026 110.807 108.800 -0.031 0.000 2.253 1212 G HA2 -0.259 3.701 3.960 0.000 0.000 0.251 1212 G HA3 -0.259 3.701 3.960 0.000 0.000 0.251 1212 G C 0.223 175.094 174.900 -0.048 0.000 0.998 1212 G CA 0.239 45.318 45.100 -0.036 0.000 0.621 1212 G HN 0.672 nan 8.290 nan 0.000 0.524 1213 E N 1.610 121.778 120.200 -0.054 0.000 2.104 1213 E HA 0.478 4.828 4.350 0.000 0.000 0.278 1213 E C 0.488 177.047 176.600 -0.067 0.000 1.127 1213 E CA -0.184 56.174 56.400 -0.070 0.000 0.897 1213 E CB 0.397 30.049 29.700 -0.081 0.000 1.043 1213 E HN 0.220 nan 8.360 nan 0.000 0.410 1214 D N 3.677 124.035 120.400 -0.069 0.000 2.369 1214 D HA 0.080 4.720 4.640 0.000 0.000 0.211 1214 D C 0.076 176.335 176.300 -0.069 0.000 1.077 1214 D CA 0.073 54.037 54.000 -0.060 0.000 0.842 1214 D CB 0.319 41.088 40.800 -0.052 0.000 0.947 1214 D HN 0.320 nan 8.370 nan 0.000 0.509 1215 R N 0.132 120.573 120.500 -0.097 0.000 2.583 1215 R HA 0.536 4.877 4.340 0.000 0.000 0.268 1215 R C -0.369 175.852 176.300 -0.131 0.000 1.101 1215 R CA -0.438 55.588 56.100 -0.122 0.000 1.180 1215 R CB 1.717 31.904 30.300 -0.189 0.000 1.128 1215 R HN -0.158 nan 8.270 nan 0.000 0.568 1216 V N -0.164 119.674 119.914 -0.126 0.000 2.932 1216 V HA 0.459 4.579 4.120 0.000 0.000 0.307 1216 V C -0.924 175.125 176.094 -0.074 0.000 1.147 1216 V CA -0.500 61.747 62.300 -0.088 0.000 0.951 1216 V CB 2.101 33.909 31.823 -0.025 0.000 1.031 1216 V HN 0.884 nan 8.190 nan 0.000 0.426 1217 A N 6.017 128.823 122.820 -0.025 0.000 3.019 1217 A HA 0.670 4.990 4.320 0.000 0.000 0.262 1217 A C -0.217 177.535 177.584 0.279 0.000 1.509 1217 A CA 0.270 52.386 52.037 0.131 0.000 1.159 1217 A CB -0.955 18.164 19.000 0.198 0.000 1.042 1217 A HN 1.103 nan 8.150 nan 0.000 0.641 1218 I N -1.100 119.586 120.570 0.193 0.000 3.021 1218 I HA 0.543 4.713 4.170 0.000 0.000 0.305 1218 I C -0.751 175.443 176.117 0.128 0.000 1.434 1218 I CA 0.253 61.679 61.300 0.210 0.000 0.969 1218 I CB 2.200 40.299 38.000 0.164 0.000 1.328 1218 I HN 0.229 nan 8.210 nan 0.000 0.486 1219 S N 3.766 119.535 115.700 0.116 0.000 2.570 1219 S HA 0.658 5.128 4.470 0.000 0.000 0.270 1219 S C -2.751 171.885 174.600 0.060 0.000 1.149 1219 S CA -1.028 57.217 58.200 0.074 0.000 0.837 1219 S CB 1.906 65.148 63.200 0.070 0.000 1.124 1219 S HN 0.387 nan 8.310 nan 0.000 0.465 1220 P HA -0.092 nan 4.420 nan 0.000 0.216 1220 P C 1.345 178.664 177.300 0.033 0.000 1.150 1220 P CA 1.312 64.431 63.100 0.030 0.000 0.837 1220 P CB 0.128 31.841 31.700 0.022 0.000 0.786 1221 E N -0.342 119.880 120.200 0.037 0.000 2.051 1221 E HA -0.142 4.208 4.350 0.000 0.000 0.192 1221 E C 1.731 178.359 176.600 0.047 0.000 0.991 1221 E CA 1.183 57.605 56.400 0.036 0.000 0.799 1221 E CB -0.308 29.413 29.700 0.034 0.000 0.748 1221 E HN -0.038 nan 8.360 nan 0.000 0.449 1222 V N 0.472 120.428 119.914 0.069 0.000 2.548 1222 V HA -0.193 3.927 4.120 0.000 0.000 0.249 1222 V C 2.363 178.492 176.094 0.058 0.000 1.055 1222 V CA 1.082 63.440 62.300 0.097 0.000 1.065 1222 V CB -0.025 31.906 31.823 0.180 0.000 0.681 1222 V HN 0.198 nan 8.190 nan 0.000 0.462 1223 V N 0.084 120.021 119.914 0.039 0.000 2.287 1223 V HA -0.322 3.798 4.120 0.000 0.000 0.248 1223 V C 2.441 178.538 176.094 0.005 0.000 1.053 1223 V CA 2.461 64.762 62.300 0.001 0.000 1.027 1223 V CB -0.652 31.175 31.823 0.007 0.000 0.646 1223 V HN 0.540 nan 8.190 nan 0.000 0.447 1224 K N -0.251 120.161 120.400 0.019 0.000 2.063 1224 K HA -0.213 4.107 4.320 0.000 0.000 0.208 1224 K C 2.313 178.931 176.600 0.029 0.000 1.048 1224 K CA 1.305 57.605 56.287 0.022 0.000 0.928 1224 K CB -0.059 32.454 32.500 0.022 0.000 0.713 1224 K HN 0.257 nan 8.250 nan 0.000 0.442 1225 K N 0.732 121.151 120.400 0.032 0.000 2.057 1225 K HA -0.111 4.209 4.320 0.000 0.000 0.207 1225 K C 2.173 178.802 176.600 0.048 0.000 1.049 1225 K CA 1.091 57.403 56.287 0.041 0.000 0.931 1225 K CB -0.290 32.239 32.500 0.049 0.000 0.714 1225 K HN 0.242 nan 8.250 nan 0.000 0.440 1226 L N 0.565 121.792 121.223 0.007 0.000 2.046 1226 L HA -0.162 4.178 4.340 0.000 0.000 0.208 1226 L C 2.456 179.409 176.870 0.137 0.000 1.077 1226 L CA 0.763 55.587 54.840 -0.027 0.000 0.747 1226 L CB -0.537 41.364 42.059 -0.263 0.000 0.896 1226 L HN -0.111 nan 8.230 nan 0.000 0.432 1227 V N 0.256 120.215 119.914 0.075 0.000 2.407 1227 V HA -0.215 3.905 4.120 0.000 0.000 0.248 1227 V C 2.601 178.743 176.094 0.081 0.000 1.055 1227 V CA 1.993 64.342 62.300 0.082 0.000 1.049 1227 V CB -1.157 30.690 31.823 0.041 0.000 0.662 1227 V HN 0.585 nan 8.190 nan 0.000 0.455 1228 G N -0.432 108.410 108.800 0.069 0.000 2.432 1228 G HA2 -0.189 3.771 3.960 0.000 0.000 0.219 1228 G HA3 -0.189 3.771 3.960 0.000 0.000 0.219 1228 G C 1.450 176.392 174.900 0.070 0.000 1.135 1228 G CA 0.599 45.733 45.100 0.056 0.000 0.767 1228 G HN 0.514 nan 8.290 nan 0.000 0.550 1229 L N 0.061 121.363 121.223 0.132 0.000 2.599 1229 L HA 0.270 4.610 4.340 0.000 0.000 0.230 1229 L C 1.949 178.854 176.870 0.058 0.000 1.141 1229 L CA 0.521 55.451 54.840 0.150 0.000 0.877 1229 L CB 0.141 42.386 42.059 0.309 0.000 1.009 1229 L HN 0.379 nan 8.230 nan 0.000 0.447 1230 G N -0.904 107.926 108.800 0.050 0.000 2.148 1230 G HA2 -0.244 3.716 3.960 0.000 0.000 0.203 1230 G HA3 -0.244 3.716 3.960 0.000 0.000 0.203 1230 G C 0.005 174.820 174.900 -0.142 0.000 0.993 1230 G CA -0.665 44.390 45.100 -0.075 0.000 0.661 1230 G HN 0.109 nan 8.290 nan 0.000 0.518 1231 F N 1.236 121.155 119.950 -0.052 0.000 2.377 1231 F HA 0.570 5.097 4.527 0.001 0.000 0.328 1231 F C 0.980 176.739 175.800 -0.067 0.000 1.094 1231 F CA -0.532 57.425 58.000 -0.072 0.000 1.093 1231 F CB 0.891 39.822 39.000 -0.115 0.000 1.214 1231 F HN 0.015 nan 8.300 nan 0.000 0.518 1232 E N 1.266 121.549 120.200 0.138 0.000 2.174 1232 E HA 0.424 4.774 4.350 0.000 0.000 0.282 1232 E C -1.233 175.397 176.600 0.051 0.000 0.992 1232 E CA -0.584 55.851 56.400 0.060 0.000 0.803 1232 E CB 1.858 31.575 29.700 0.027 0.000 1.090 1232 E HN 0.225 nan 8.360 nan 0.000 0.396 1233 V N 5.329 125.248 119.914 0.009 0.000 2.357 1233 V HA 0.286 4.406 4.120 0.000 0.000 0.284 1233 V C -0.270 175.805 176.094 -0.032 0.000 1.018 1233 V CA -0.756 61.517 62.300 -0.045 0.000 0.841 1233 V CB 0.981 32.761 31.823 -0.072 0.000 0.991 1233 V HN 0.552 nan 8.190 nan 0.000 0.437 1234 I N 5.855 126.403 120.570 -0.038 0.000 2.378 1234 I HA 0.571 4.741 4.170 0.000 0.000 0.291 1234 I C -0.213 175.894 176.117 -0.016 0.000 0.992 1234 I CA -0.649 60.639 61.300 -0.019 0.000 1.154 1234 I CB 1.649 39.643 38.000 -0.010 0.000 1.315 1234 I HN 0.250 nan 8.210 nan 0.000 0.448 1235 V N 5.013 124.923 119.914 -0.005 0.000 2.656 1235 V HA 0.332 4.453 4.120 0.000 0.000 0.307 1235 V C 0.242 176.340 176.094 0.006 0.000 1.051 1235 V CA -0.947 61.356 62.300 0.004 0.000 0.893 1235 V CB 2.307 34.135 31.823 0.008 0.000 0.999 1235 V HN 0.748 nan 8.190 nan 0.000 0.426 1236 E N 3.346 123.552 120.200 0.010 0.000 2.384 1236 E HA 0.147 4.498 4.350 0.000 0.000 0.266 1236 E C 0.190 176.793 176.600 0.005 0.000 1.012 1236 E CA -0.453 55.951 56.400 0.007 0.000 0.901 1236 E CB 0.719 30.424 29.700 0.009 0.000 0.967 1236 E HN 0.781 nan 8.360 nan 0.000 0.435 1237 Q N 2.827 122.629 119.800 0.003 0.000 2.304 1237 Q HA 0.064 4.404 4.340 0.000 0.000 0.301 1237 Q C 0.771 176.771 176.000 0.001 0.000 1.063 1237 Q CA 0.402 56.206 55.803 0.002 0.000 0.947 1237 Q CB 0.391 29.130 28.738 0.001 0.000 1.201 1237 Q HN 0.840 nan 8.270 nan 0.000 0.389 1238 G N 1.993 110.793 108.800 -0.000 0.000 2.175 1238 G HA2 -0.392 3.568 3.960 0.000 0.000 0.265 1238 G HA3 -0.392 3.568 3.960 0.000 0.000 0.265 1238 G C 0.838 175.736 174.900 -0.004 0.000 0.979 1238 G CA 0.517 45.615 45.100 -0.002 0.000 0.663 1238 G HN 1.175 nan 8.290 nan 0.000 0.533 1239 A N -0.140 122.679 122.820 -0.001 0.000 1.978 1239 A HA 0.303 4.623 4.320 0.000 0.000 0.220 1239 A C 2.492 180.072 177.584 -0.007 0.000 1.170 1239 A CA 2.280 54.315 52.037 -0.002 0.000 0.636 1239 A CB -0.469 18.535 19.000 0.006 0.000 0.810 1239 A HN 1.640 nan 8.150 nan 0.000 0.448 1240 G N -1.471 107.328 108.800 -0.002 0.000 3.233 1240 G HA2 0.298 4.258 3.960 0.000 0.000 0.234 1240 G HA3 0.298 4.258 3.960 0.000 0.000 0.234 1240 G C 1.043 175.938 174.900 -0.008 0.000 1.137 1240 G CA 0.652 45.750 45.100 -0.005 0.000 0.763 1240 G HN 0.216 nan 8.290 nan 0.000 0.549 1241 V N 1.531 121.439 119.914 -0.010 0.000 2.392 1241 V HA -0.140 3.981 4.120 0.000 0.000 0.249 1241 V C 3.002 179.087 176.094 -0.016 0.000 1.059 1241 V CA 2.251 64.544 62.300 -0.011 0.000 1.051 1241 V CB -0.724 31.092 31.823 -0.010 0.000 0.658 1241 V HN 0.399 nan 8.190 nan 0.000 0.455 1242 G N -0.784 108.004 108.800 -0.021 0.000 2.471 1242 G HA2 -0.002 3.958 3.960 0.000 0.000 0.219 1242 G HA3 -0.002 3.958 3.960 0.000 0.000 0.219 1242 G C 1.239 176.123 174.900 -0.027 0.000 1.125 1242 G CA 0.768 45.852 45.100 -0.027 0.000 0.775 1242 G HN 0.662 nan 8.290 nan 0.000 0.548 1243 A N -0.520 122.286 122.820 -0.023 0.000 2.500 1243 A HA 0.569 4.889 4.320 0.000 0.000 0.267 1243 A C 1.295 178.871 177.584 -0.012 0.000 1.290 1243 A CA 0.819 52.844 52.037 -0.019 0.000 0.928 1243 A CB 0.012 19.001 19.000 -0.018 0.000 1.066 1243 A HN 0.538 nan 8.150 nan 0.000 0.516 1244 S N -1.009 114.684 115.700 -0.012 0.000 3.698 1244 S HA -0.150 4.321 4.470 0.000 0.000 0.338 1244 S C -0.101 174.497 174.600 -0.003 0.000 1.089 1244 S CA 1.068 59.263 58.200 -0.008 0.000 0.991 1244 S CB -1.837 61.357 63.200 -0.009 0.000 0.909 1244 S HN 0.601 nan 8.310 nan 0.000 0.485 1245 I N 2.286 122.855 120.570 -0.002 0.000 2.437 1245 I HA 0.235 4.405 4.170 0.000 0.000 0.279 1245 I C 0.906 177.025 176.117 0.003 0.000 1.028 1245 I CA -0.422 60.880 61.300 0.004 0.000 1.142 1245 I CB 1.499 39.504 38.000 0.009 0.000 1.266 1245 I HN 0.303 nan 8.210 nan 0.000 0.461 1246 T N -0.024 114.531 114.554 0.003 0.000 2.766 1246 T HA 0.126 4.477 4.350 0.000 0.000 0.295 1246 T C 0.783 175.486 174.700 0.004 0.000 1.024 1246 T CA -0.443 61.658 62.100 0.002 0.000 1.018 1246 T CB 1.273 70.142 68.868 0.002 0.000 1.002 1246 T HN 0.389 nan 8.240 nan 0.000 0.532 1247 D N 0.232 120.634 120.400 0.003 0.000 2.149 1247 D HA -0.047 4.594 4.640 0.000 0.000 0.201 1247 D C 1.727 178.029 176.300 0.004 0.000 0.972 1247 D CA 0.925 54.928 54.000 0.004 0.000 0.835 1247 D CB -0.247 40.554 40.800 0.003 0.000 0.966 1247 D HN 0.589 nan 8.370 nan 0.000 0.476 1248 D N 0.513 120.915 120.400 0.003 0.000 2.144 1248 D HA -0.087 4.553 4.640 0.000 0.000 0.199 1248 D C 1.985 178.288 176.300 0.005 0.000 0.984 1248 D CA 1.045 55.047 54.000 0.003 0.000 0.834 1248 D CB -0.167 40.634 40.800 0.003 0.000 0.955 1248 D HN 0.135 nan 8.370 nan 0.000 0.465 1249 A N 0.562 123.386 122.820 0.005 0.000 1.930 1249 A HA -0.130 4.190 4.320 0.000 0.000 0.217 1249 A C 2.095 179.684 177.584 0.009 0.000 1.175 1249 A CA 0.853 52.894 52.037 0.007 0.000 0.627 1249 A CB -0.461 18.544 19.000 0.008 0.000 0.815 1249 A HN 0.118 nan 8.150 nan 0.000 0.443 1250 L N 0.391 121.620 121.223 0.009 0.000 2.027 1250 L HA -0.118 4.222 4.340 0.000 0.000 0.206 1250 L C 3.013 179.888 176.870 0.007 0.000 1.074 1250 L CA 2.560 57.406 54.840 0.010 0.000 0.745 1250 L CB -1.447 40.618 42.059 0.011 0.000 0.898 1250 L HN 0.655 nan 8.230 nan 0.000 0.433 1251 T N -3.308 111.249 114.554 0.006 0.000 2.788 1251 T HA -0.152 4.198 4.350 0.000 0.000 0.268 1251 T C 1.923 176.626 174.700 0.005 0.000 1.044 1251 T CA 1.049 63.152 62.100 0.005 0.000 1.139 1251 T CB -0.603 68.267 68.868 0.004 0.000 0.867 1251 T HN 0.224 nan 8.240 nan 0.000 0.454 1252 A N 1.738 124.561 122.820 0.006 0.000 1.972 1252 A HA 0.380 4.700 4.320 0.000 0.000 0.219 1252 A C 2.676 180.264 177.584 0.008 0.000 1.169 1252 A CA 1.607 53.647 52.037 0.006 0.000 0.635 1252 A CB -1.167 17.836 19.000 0.006 0.000 0.810 1252 A HN 0.788 nan 8.150 nan 0.000 0.446 1253 A N -2.215 120.611 122.820 0.009 0.000 2.167 1253 A HA 0.407 4.728 4.320 0.000 0.000 0.214 1253 A C 1.711 179.301 177.584 0.010 0.000 1.151 1253 A CA 1.405 53.448 52.037 0.011 0.000 0.735 1253 A CB -0.530 18.478 19.000 0.014 0.000 0.802 1253 A HN 1.764 nan 8.150 nan 0.000 0.467 1254 G N -2.805 106.000 108.800 0.008 0.000 2.205 1254 G HA2 0.240 4.201 3.960 0.000 0.000 0.180 1254 G HA3 0.240 4.201 3.960 0.000 0.000 0.180 1254 G C 0.337 175.240 174.900 0.005 0.000 1.004 1254 G CA 0.101 45.206 45.100 0.008 0.000 0.670 1254 G HN 1.323 nan 8.290 nan 0.000 0.496 1255 A N 0.055 122.876 122.820 0.002 0.000 2.257 1255 A HA 0.933 5.253 4.320 0.000 0.000 0.289 1255 A C 0.695 178.279 177.584 -0.000 0.000 1.095 1255 A CA 0.754 52.790 52.037 -0.003 0.000 0.836 1255 A CB 0.689 19.686 19.000 -0.006 0.000 1.111 1255 A HN 1.635 nan 8.150 nan 0.000 0.497 1256 T N -1.381 113.172 114.554 -0.002 0.000 2.912 1256 T HA 0.675 5.026 4.350 0.000 0.000 0.288 1256 T C -0.464 174.235 174.700 -0.000 0.000 1.030 1256 T CA -0.652 61.448 62.100 -0.000 0.000 1.020 1256 T CB 0.944 69.812 68.868 0.000 0.000 1.056 1256 T HN 0.349 nan 8.240 nan 0.000 0.480 1257 I N 1.820 122.390 120.570 0.001 0.000 2.377 1257 I HA 0.606 4.776 4.170 0.000 0.000 0.293 1257 I C 0.491 176.609 176.117 0.002 0.000 0.987 1257 I CA -0.978 60.324 61.300 0.002 0.000 1.185 1257 I CB 0.952 38.954 38.000 0.002 0.000 1.341 1257 I HN 1.019 nan 8.210 nan 0.000 0.455 1258 A N 4.225 127.047 122.820 0.003 0.000 2.325 1258 A HA 0.554 4.874 4.320 0.000 0.000 0.333 1258 A C 0.920 178.506 177.584 0.003 0.000 1.155 1258 A CA -0.367 51.671 52.037 0.003 0.000 0.814 1258 A CB 1.007 20.009 19.000 0.004 0.000 1.206 1258 A HN 0.729 nan 8.150 nan 0.000 0.482 1259 S N -0.064 115.638 115.700 0.003 0.000 2.423 1259 S HA 0.001 4.471 4.470 0.000 0.000 0.231 1259 S C 1.079 175.680 174.600 0.003 0.000 1.014 1259 S CA 1.543 59.744 58.200 0.003 0.000 0.965 1259 S CB -0.266 62.936 63.200 0.002 0.000 0.785 1259 S HN 1.149 nan 8.310 nan 0.000 0.495 1260 T N -2.748 111.808 114.554 0.004 0.000 2.865 1260 T HA 0.770 5.120 4.350 0.000 0.000 0.294 1260 T C 0.864 175.568 174.700 0.007 0.000 1.119 1260 T CA -0.293 61.809 62.100 0.005 0.000 1.007 1260 T CB 1.556 70.427 68.868 0.005 0.000 1.225 1260 T HN -0.091 nan 8.240 nan 0.000 0.515 1261 A N 0.722 123.547 122.820 0.008 0.000 1.898 1261 A HA 0.304 4.624 4.320 0.000 0.000 0.216 1261 A C 2.570 180.162 177.584 0.013 0.000 1.181 1261 A CA 1.971 54.015 52.037 0.012 0.000 0.620 1261 A CB -1.545 17.462 19.000 0.012 0.000 0.819 1261 A HN 1.375 nan 8.150 nan 0.000 0.442 1262 A N -0.571 122.256 122.820 0.011 0.000 1.883 1262 A HA -0.261 4.059 4.320 0.000 0.000 0.217 1262 A C 2.145 179.736 177.584 0.011 0.000 1.186 1262 A CA 1.795 53.838 52.037 0.011 0.000 0.624 1262 A CB -0.672 18.333 19.000 0.009 0.000 0.822 1262 A HN 0.651 nan 8.150 nan 0.000 0.444 1263 Q N -0.851 118.954 119.800 0.009 0.000 2.084 1263 Q HA -0.112 4.228 4.340 0.000 0.000 0.202 1263 Q C 2.473 178.478 176.000 0.009 0.000 0.978 1263 Q CA 1.292 57.100 55.803 0.008 0.000 0.844 1263 Q CB -0.388 28.354 28.738 0.006 0.000 0.898 1263 Q HN 0.699 nan 8.270 nan 0.000 0.426 1264 A N 1.014 123.840 122.820 0.010 0.000 1.858 1264 A HA -0.154 4.166 4.320 0.000 0.000 0.216 1264 A C 1.970 179.562 177.584 0.013 0.000 1.190 1264 A CA 1.259 53.302 52.037 0.010 0.000 0.617 1264 A CB -0.579 18.428 19.000 0.012 0.000 0.827 1264 A HN 0.303 nan 8.150 nan 0.000 0.443 1265 L N 0.559 121.793 121.223 0.018 0.000 2.446 1265 L HA -0.048 4.292 4.340 0.000 0.000 0.219 1265 L C 2.720 179.603 176.870 0.022 0.000 1.116 1265 L CA 0.863 55.717 54.840 0.024 0.000 0.844 1265 L CB -0.564 41.514 42.059 0.031 0.000 0.970 1265 L HN 0.581 nan 8.230 nan 0.000 0.457 1266 S N 0.378 116.089 115.700 0.017 0.000 2.389 1266 S HA -0.277 4.193 4.470 0.000 0.000 0.231 1266 S C 1.650 176.260 174.600 0.016 0.000 1.052 1266 S CA 1.366 59.575 58.200 0.016 0.000 1.053 1266 S CB -0.242 62.965 63.200 0.012 0.000 0.886 1266 S HN 0.497 nan 8.310 nan 0.000 0.456 1267 Q N 0.598 120.407 119.800 0.015 0.000 2.139 1267 Q HA 0.538 4.879 4.340 0.000 0.000 0.219 1267 Q C 0.048 176.060 176.000 0.020 0.000 0.805 1267 Q CA 0.325 56.138 55.803 0.016 0.000 1.024 1267 Q CB 0.887 29.632 28.738 0.011 0.000 1.163 1267 Q HN 0.676 nan 8.270 nan 0.000 0.485 1268 A N 1.154 123.988 122.820 0.024 0.000 2.450 1268 A HA 0.103 4.423 4.320 0.000 0.000 0.255 1268 A C 0.672 178.282 177.584 0.043 0.000 1.096 1268 A CA -0.026 52.029 52.037 0.029 0.000 0.778 1268 A CB 0.318 19.332 19.000 0.023 0.000 1.031 1268 A HN 0.063 nan 8.150 nan 0.000 0.494 1269 D N 0.949 121.380 120.400 0.053 0.000 2.249 1269 D HA 0.053 4.693 4.640 0.000 0.000 0.205 1269 D C -0.009 176.349 176.300 0.096 0.000 0.962 1269 D CA 1.279 55.320 54.000 0.069 0.000 0.860 1269 D CB 0.299 41.141 40.800 0.069 0.000 0.955 1269 D HN 0.260 nan 8.370 nan 0.000 0.505 1270 V N 1.313 121.278 119.914 0.085 0.000 2.686 1270 V HA 0.292 4.412 4.120 0.000 0.000 0.306 1270 V C -0.281 175.841 176.094 0.047 0.000 1.065 1270 V CA -0.803 61.553 62.300 0.093 0.000 0.894 1270 V CB 2.879 34.741 31.823 0.065 0.000 1.004 1270 V HN -0.273 nan 8.190 nan 0.000 0.424 1271 V N 3.287 123.290 119.914 0.149 0.000 2.540 1271 V HA 0.557 4.677 4.120 0.000 0.000 0.302 1271 V C -1.242 175.080 176.094 0.379 0.000 1.035 1271 V CA -0.564 61.837 62.300 0.168 0.000 0.873 1271 V CB 2.095 34.003 31.823 0.141 0.000 0.992 1271 V HN 0.829 nan 8.190 nan 0.000 0.428 1272 W N 4.917 126.259 121.300 0.071 0.000 2.587 1272 W HA 0.785 5.446 4.660 0.000 0.000 0.324 1272 W C 0.018 176.587 176.519 0.084 0.000 1.040 1272 W CA -1.261 56.141 57.345 0.095 0.000 1.222 1272 W CB 1.775 31.284 29.460 0.081 0.000 1.381 1272 W HN 0.648 nan 8.180 nan 0.000 0.483 1273 K N -0.002 120.567 120.400 0.282 0.000 2.533 1273 K HA 0.669 4.989 4.320 0.000 0.000 0.284 1273 K C -0.792 175.838 176.600 0.050 0.000 1.025 1273 K CA -0.755 55.612 56.287 0.134 0.000 0.900 1273 K CB 1.405 33.962 32.500 0.094 0.000 1.519 1273 K HN 0.063 nan 8.250 nan 0.000 0.432 1274 V N 0.045 119.864 119.914 -0.158 0.000 2.339 1274 V HA -0.027 4.093 4.120 0.000 0.000 0.234 1274 V C 0.791 176.813 176.094 -0.120 0.000 1.053 1274 V CA 0.792 62.833 62.300 -0.431 0.000 1.042 1274 V CB -0.492 30.975 31.823 -0.593 0.000 0.678 1274 V HN 0.646 nan 8.190 nan 0.000 0.475 1275 Q N 0.749 120.484 119.800 -0.107 0.000 2.260 1275 Q HA 0.351 4.691 4.340 0.000 0.000 0.238 1275 Q C 0.005 176.013 176.000 0.013 0.000 0.948 1275 Q CA -0.641 55.132 55.803 -0.050 0.000 0.895 1275 Q CB 0.956 29.641 28.738 -0.089 0.000 1.218 1275 Q HN 0.551 nan 8.270 nan 0.000 0.470 1276 R N 1.358 121.881 120.500 0.040 0.000 2.697 1276 R HA 0.094 4.434 4.340 0.000 0.000 0.265 1276 R C -2.307 174.010 176.300 0.028 0.000 1.009 1276 R CA -0.979 55.151 56.100 0.050 0.000 1.099 1276 R CB -0.567 29.763 30.300 0.050 0.000 0.965 1276 R HN 0.245 nan 8.270 nan 0.000 0.428 1277 P HA -0.024 nan 4.420 nan 0.000 0.271 1277 P C -0.373 176.937 177.300 0.017 0.000 1.216 1277 P CA 0.104 63.219 63.100 0.026 0.000 0.776 1277 P CB 0.757 32.477 31.700 0.035 0.000 0.881 1278 M N 1.887 121.494 119.600 0.010 0.000 2.243 1278 M HA 0.159 4.640 4.480 0.000 0.000 0.341 1278 M C 1.314 177.620 176.300 0.009 0.000 1.130 1278 M CA 0.377 55.681 55.300 0.006 0.000 1.162 1278 M CB 0.312 32.913 32.600 0.002 0.000 1.497 1278 M HN 0.413 nan 8.290 nan 0.000 0.456 1279 T N -0.954 113.604 114.554 0.007 0.000 2.923 1279 T HA 0.590 4.940 4.350 0.000 0.000 0.281 1279 T C 1.026 175.729 174.700 0.006 0.000 0.995 1279 T CA -0.473 61.631 62.100 0.007 0.000 0.985 1279 T CB 1.361 70.233 68.868 0.007 0.000 1.114 1279 T HN 0.672 nan 8.240 nan 0.000 0.548 1280 A N 0.352 123.175 122.820 0.006 0.000 1.940 1280 A HA -0.064 4.256 4.320 0.000 0.000 0.219 1280 A C 2.058 179.644 177.584 0.003 0.000 1.176 1280 A CA 1.724 53.763 52.037 0.005 0.000 0.631 1280 A CB -1.196 17.807 19.000 0.005 0.000 0.814 1280 A HN 0.896 nan 8.150 nan 0.000 0.446 1281 E N 0.299 120.501 120.200 0.003 0.000 2.331 1281 E HA -0.160 4.190 4.350 0.000 0.000 0.199 1281 E C 1.294 177.895 176.600 0.002 0.000 1.008 1281 E CA 1.400 57.801 56.400 0.003 0.000 0.843 1281 E CB -0.154 29.548 29.700 0.003 0.000 0.761 1281 E HN 0.952 nan 8.360 nan 0.000 0.507 1282 E N -1.757 118.444 120.200 0.001 0.000 2.624 1282 E HA 0.407 4.758 4.350 0.000 0.000 0.210 1282 E C 0.981 177.581 176.600 -0.001 0.000 0.997 1282 E CA 0.242 56.642 56.400 -0.000 0.000 0.999 1282 E CB 0.798 30.497 29.700 -0.001 0.000 1.040 1282 E HN 0.128 nan 8.360 nan 0.000 0.469 1283 G N 1.694 110.495 108.800 0.000 0.000 1.828 1283 G HA2 -0.197 3.763 3.960 0.000 0.000 0.128 1283 G HA3 -0.197 3.763 3.960 0.000 0.000 0.128 1283 G C 0.005 174.905 174.900 0.001 0.000 2.299 1283 G CA -0.148 44.952 45.100 -0.000 0.000 1.389 1283 G HN 0.394 nan 8.290 nan 0.000 0.437 1284 T N -0.209 114.346 114.554 0.001 0.000 2.807 1284 T HA 0.580 4.930 4.350 0.000 0.000 0.279 1284 T C -1.287 173.416 174.700 0.005 0.000 0.993 1284 T CA -0.132 61.969 62.100 0.003 0.000 0.970 1284 T CB 2.473 71.342 68.868 0.002 0.000 0.950 1284 T HN 0.292 nan 8.240 nan 0.000 0.441 1285 D N 1.932 122.335 120.400 0.006 0.000 2.470 1285 D HA 0.116 4.756 4.640 0.000 0.000 0.226 1285 D C 0.928 177.235 176.300 0.011 0.000 1.196 1285 D CA -0.133 53.872 54.000 0.008 0.000 0.979 1285 D CB 0.445 41.250 40.800 0.008 0.000 1.059 1285 D HN 0.671 nan 8.370 nan 0.000 0.515 1286 E N 1.329 121.536 120.200 0.012 0.000 2.208 1286 E HA -0.086 4.264 4.350 0.000 0.000 0.193 1286 E C 1.979 178.592 176.600 0.022 0.000 0.988 1286 E CA 0.468 56.878 56.400 0.017 0.000 0.828 1286 E CB 0.518 30.228 29.700 0.017 0.000 0.763 1286 E HN 0.335 nan 8.360 nan 0.000 0.478 1287 V N 1.409 121.335 119.914 0.020 0.000 2.407 1287 V HA -0.273 3.847 4.120 0.000 0.000 0.248 1287 V C 2.344 178.451 176.094 0.021 0.000 1.055 1287 V CA 1.788 64.102 62.300 0.023 0.000 1.049 1287 V CB -0.677 31.157 31.823 0.018 0.000 0.662 1287 V HN 0.304 nan 8.190 nan 0.000 0.455 1288 A N -0.097 122.734 122.820 0.017 0.000 2.019 1288 A HA -0.114 4.206 4.320 0.000 0.000 0.219 1288 A C 2.004 179.599 177.584 0.017 0.000 1.164 1288 A CA 1.340 53.386 52.037 0.015 0.000 0.644 1288 A CB -0.388 18.619 19.000 0.012 0.000 0.805 1288 A HN 0.420 nan 8.150 nan 0.000 0.449 1289 L N -0.357 120.877 121.223 0.020 0.000 2.395 1289 L HA 0.152 4.492 4.340 0.000 0.000 0.218 1289 L C 0.802 177.688 176.870 0.026 0.000 1.130 1289 L CA 0.709 55.561 54.840 0.021 0.000 0.826 1289 L CB -1.258 40.814 42.059 0.021 0.000 0.941 1289 L HN 0.330 nan 8.230 nan 0.000 0.451 1290 I N 0.804 121.392 120.570 0.031 0.000 2.416 1290 I HA 0.034 4.204 4.170 0.000 0.000 0.288 1290 I C 0.994 177.131 176.117 0.032 0.000 1.051 1290 I CA -0.215 61.108 61.300 0.038 0.000 1.375 1290 I CB 0.649 38.677 38.000 0.046 0.000 1.407 1290 I HN 0.032 nan 8.210 nan 0.000 0.516 1291 K N 6.878 127.298 120.400 0.033 0.000 2.484 1291 K HA 0.012 4.332 4.320 0.000 0.000 0.280 1291 K C -0.081 176.536 176.600 0.029 0.000 1.013 1291 K CA -0.143 56.161 56.287 0.029 0.000 1.029 1291 K CB 0.443 32.960 32.500 0.029 0.000 0.902 1291 K HN 0.500 nan 8.250 nan 0.000 0.481 1292 E N 2.380 122.594 120.200 0.023 0.000 2.480 1292 E HA -0.047 4.304 4.350 0.000 0.000 0.258 1292 E C 0.793 177.407 176.600 0.024 0.000 0.984 1292 E CA 0.895 57.308 56.400 0.021 0.000 0.930 1292 E CB 0.317 30.027 29.700 0.016 0.000 0.936 1292 E HN 0.962 nan 8.360 nan 0.000 0.466 1293 G N 1.976 110.791 108.800 0.025 0.000 2.175 1293 G HA2 -0.292 3.668 3.960 0.000 0.000 0.244 1293 G HA3 -0.292 3.668 3.960 0.000 0.000 0.244 1293 G C 0.422 175.347 174.900 0.042 0.000 0.982 1293 G CA 0.015 45.132 45.100 0.029 0.000 0.641 1293 G HN 0.782 nan 8.290 nan 0.000 0.527 1294 A N -0.807 122.043 122.820 0.049 0.000 2.250 1294 A HA 0.818 5.138 4.320 0.000 0.000 0.283 1294 A C 0.452 178.092 177.584 0.093 0.000 1.206 1294 A CA 0.403 52.482 52.037 0.070 0.000 0.840 1294 A CB 0.900 19.941 19.000 0.067 0.000 1.220 1294 A HN 1.153 nan 8.150 nan 0.000 0.505 1295 V N 0.021 120.016 119.914 0.134 0.000 2.513 1295 V HA 0.503 4.623 4.120 0.000 0.000 0.299 1295 V C -0.739 175.490 176.094 0.224 0.000 1.035 1295 V CA -0.428 61.992 62.300 0.200 0.000 0.889 1295 V CB 1.253 33.244 31.823 0.279 0.000 0.988 1295 V HN 0.746 nan 8.190 nan 0.000 0.440 1296 L N 5.879 127.242 121.223 0.234 0.000 2.362 1296 L HA 0.746 5.086 4.340 0.000 0.000 0.275 1296 L C -0.678 176.378 176.870 0.309 0.000 0.998 1296 L CA -0.242 54.740 54.840 0.237 0.000 0.820 1296 L CB 1.699 43.843 42.059 0.142 0.000 1.270 1296 L HN 0.672 nan 8.230 nan 0.000 0.415 1297 M N 6.535 126.332 119.600 0.328 0.000 2.151 1297 M HA 0.634 5.114 4.480 0.000 0.000 0.290 1297 M C -0.968 175.417 176.300 0.142 0.000 0.965 1297 M CA -0.494 54.951 55.300 0.241 0.000 0.930 1297 M CB 1.641 34.370 32.600 0.215 0.000 1.560 1297 M HN 0.893 nan 8.290 nan 0.000 0.438 1298 C N -0.736 118.628 119.300 0.107 0.000 3.253 1298 C HA 0.453 4.913 4.460 0.000 0.000 0.362 1298 C C -0.805 174.285 174.990 0.166 0.000 1.487 1298 C CA -1.000 58.127 59.018 0.182 0.000 1.179 1298 C CB 1.727 29.572 27.740 0.175 0.000 1.660 1298 C HN 0.916 nan 8.230 nan 0.000 0.438 1299 H N 1.547 120.720 119.070 0.173 0.000 2.969 1299 H HA 0.398 4.954 4.556 0.000 0.000 0.269 1299 H C 0.504 175.857 175.328 0.042 0.000 1.223 1299 H CA 0.074 56.181 56.048 0.099 0.000 1.400 1299 H CB 0.562 30.419 29.762 0.158 0.000 1.500 1299 H HN 0.699 nan 8.280 nan 0.000 0.486 1300 L N 3.480 124.785 121.223 0.135 0.000 2.240 1300 L HA 0.036 4.376 4.340 0.000 0.000 0.211 1300 L C 1.599 178.557 176.870 0.146 0.000 1.106 1300 L CA 0.829 55.735 54.840 0.109 0.000 0.793 1300 L CB -0.026 42.038 42.059 0.007 0.000 0.927 1300 L HN 0.930 nan 8.230 nan 0.000 0.446 1301 G N -0.114 108.795 108.800 0.181 0.000 2.273 1301 G HA2 -0.343 3.617 3.960 0.000 0.000 0.280 1301 G HA3 -0.343 3.617 3.960 0.000 0.000 0.280 1301 G C 1.057 175.986 174.900 0.048 0.000 1.047 1301 G CA 0.506 45.709 45.100 0.171 0.000 0.869 1301 G HN 0.471 nan 8.290 nan 0.000 0.502 1302 A N -0.485 122.324 122.820 -0.017 0.000 1.917 1302 A HA 0.026 4.346 4.320 0.000 0.000 0.219 1302 A C 2.464 180.033 177.584 -0.023 0.000 1.182 1302 A CA 1.831 53.844 52.037 -0.041 0.000 0.633 1302 A CB -0.276 18.657 19.000 -0.112 0.000 0.819 1302 A HN 0.970 nan 8.150 nan 0.000 0.448 1303 L N -1.104 120.105 121.223 -0.023 0.000 2.353 1303 L HA -0.107 4.233 4.340 0.000 0.000 0.220 1303 L C 2.106 178.984 176.870 0.014 0.000 1.133 1303 L CA 1.471 56.312 54.840 0.001 0.000 0.798 1303 L CB -0.445 41.616 42.059 0.004 0.000 0.922 1303 L HN 0.336 nan 8.230 nan 0.000 0.445 1304 T N -1.968 112.598 114.554 0.020 0.000 2.971 1304 T HA 0.140 4.490 4.350 0.000 0.000 0.252 1304 T C 0.703 175.414 174.700 0.019 0.000 1.022 1304 T CA 0.036 62.149 62.100 0.023 0.000 0.980 1304 T CB 0.227 69.115 68.868 0.032 0.000 1.044 1304 T HN 0.174 nan 8.240 nan 0.000 0.501 1305 N N 2.048 120.759 118.700 0.018 0.000 2.804 1305 N HA 0.270 5.010 4.740 0.000 0.000 0.251 1305 N C 0.625 176.140 175.510 0.009 0.000 1.250 1305 N CA -0.319 52.740 53.050 0.014 0.000 0.820 1305 N CB 1.261 39.759 38.487 0.019 0.000 1.156 1305 N HN -0.032 nan 8.380 nan 0.000 0.512 1306 R N 1.721 122.226 120.500 0.008 0.000 2.081 1306 R HA -0.028 4.312 4.340 0.000 0.000 0.235 1306 R C -0.763 175.540 176.300 0.006 0.000 1.131 1306 R CA 1.243 57.347 56.100 0.007 0.000 0.960 1306 R CB -0.932 29.373 30.300 0.008 0.000 0.856 1306 R HN 0.402 nan 8.270 nan 0.000 0.436 1307 P HA -0.140 nan 4.420 nan 0.000 0.215 1307 P C 1.651 178.955 177.300 0.006 0.000 1.153 1307 P CA 1.042 64.146 63.100 0.006 0.000 0.853 1307 P CB -0.227 31.477 31.700 0.006 0.000 0.788 1308 V N 0.164 120.083 119.914 0.008 0.000 2.490 1308 V HA -0.160 3.960 4.120 0.000 0.000 0.250 1308 V C 2.528 178.625 176.094 0.006 0.000 1.061 1308 V CA 1.608 63.914 62.300 0.009 0.000 1.064 1308 V CB -0.865 30.966 31.823 0.014 0.000 0.670 1308 V HN -0.112 nan 8.190 nan 0.000 0.461 1309 V N 0.230 120.145 119.914 0.001 0.000 2.515 1309 V HA -0.195 3.926 4.120 0.000 0.000 0.250 1309 V C 2.385 178.477 176.094 -0.003 0.000 1.058 1309 V CA 2.169 64.466 62.300 -0.006 0.000 1.064 1309 V CB -0.710 31.107 31.823 -0.010 0.000 0.675 1309 V HN 0.659 nan 8.190 nan 0.000 0.461 1310 E N 0.837 121.037 120.200 0.001 0.000 2.072 1310 E HA -0.109 4.241 4.350 0.000 0.000 0.190 1310 E C 2.388 178.990 176.600 0.003 0.000 0.982 1310 E CA 1.177 57.578 56.400 0.002 0.000 0.803 1310 E CB -0.345 29.357 29.700 0.004 0.000 0.755 1310 E HN 0.573 nan 8.360 nan 0.000 0.453 1311 A N 1.783 124.606 122.820 0.005 0.000 1.902 1311 A HA -0.160 4.160 4.320 0.000 0.000 0.217 1311 A C 2.195 179.783 177.584 0.007 0.000 1.181 1311 A CA 1.027 53.068 52.037 0.006 0.000 0.623 1311 A CB -0.421 18.584 19.000 0.008 0.000 0.818 1311 A HN 0.113 nan 8.150 nan 0.000 0.443 1312 L N -0.316 120.911 121.223 0.006 0.000 2.093 1312 L HA -0.103 4.237 4.340 0.000 0.000 0.208 1312 L C 2.571 179.442 176.870 0.000 0.000 1.085 1312 L CA 2.221 57.064 54.840 0.005 0.000 0.755 1312 L CB -1.912 40.148 42.059 0.002 0.000 0.904 1312 L HN 0.374 nan 8.230 nan 0.000 0.435 1313 T N -0.523 114.029 114.554 -0.003 0.000 2.867 1313 T HA -0.151 4.199 4.350 0.000 0.000 0.268 1313 T C 1.917 176.617 174.700 0.000 0.000 1.057 1313 T CA 0.933 63.030 62.100 -0.005 0.000 1.136 1313 T CB -0.003 68.862 68.868 -0.005 0.000 0.874 1313 T HN 0.291 nan 8.240 nan 0.000 0.466 1314 K N 0.818 121.219 120.400 0.003 0.000 2.211 1314 K HA 0.034 4.354 4.320 0.000 0.000 0.203 1314 K C 2.088 178.692 176.600 0.006 0.000 1.050 1314 K CA 0.841 57.131 56.287 0.004 0.000 0.945 1314 K CB -0.009 32.494 32.500 0.005 0.000 0.732 1314 K HN 0.216 nan 8.250 nan 0.000 0.451 1315 R N 0.632 121.137 120.500 0.007 0.000 2.359 1315 R HA 0.107 4.447 4.340 0.000 0.000 0.231 1315 R C -0.225 176.081 176.300 0.010 0.000 0.913 1315 R CA 0.053 56.159 56.100 0.010 0.000 1.075 1315 R CB 0.218 30.526 30.300 0.014 0.000 1.087 1315 R HN 0.064 nan 8.270 nan 0.000 0.515 1316 K N 0.567 120.971 120.400 0.006 0.000 3.129 1316 K HA -0.182 4.138 4.320 0.000 0.000 0.273 1316 K C -0.431 176.173 176.600 0.006 0.000 1.123 1316 K CA 0.617 56.907 56.287 0.005 0.000 0.800 1316 K CB -1.632 30.872 32.500 0.007 0.000 1.238 1316 K HN 0.282 nan 8.250 nan 0.000 0.492 1317 I N 1.105 121.678 120.570 0.005 0.000 2.519 1317 I HA 0.029 4.200 4.170 0.000 0.000 0.287 1317 I C 0.899 177.007 176.117 -0.015 0.000 1.047 1317 I CA -0.110 61.196 61.300 0.010 0.000 1.381 1317 I CB 1.269 39.281 38.000 0.021 0.000 1.417 1317 I HN -0.040 nan 8.210 nan 0.000 0.540 1318 T N 6.090 120.636 114.554 -0.014 0.000 2.727 1318 T HA 0.478 4.829 4.350 0.000 0.000 0.298 1318 T C 0.023 174.637 174.700 -0.143 0.000 0.942 1318 T CA -0.458 61.584 62.100 -0.098 0.000 0.997 1318 T CB 0.596 69.430 68.868 -0.056 0.000 0.917 1318 T HN 0.665 nan 8.240 nan 0.000 0.487 1319 A N 3.928 126.615 122.820 -0.222 0.000 2.304 1319 A HA 0.695 5.016 4.320 0.000 0.000 0.323 1319 A C -1.201 176.182 177.584 -0.335 0.000 1.195 1319 A CA -0.663 51.276 52.037 -0.164 0.000 0.826 1319 A CB 0.534 19.492 19.000 -0.071 0.000 1.184 1319 A HN 0.802 nan 8.150 nan 0.000 0.496 1320 Y N 1.499 121.825 120.300 0.043 0.000 2.356 1320 Y HA 0.483 5.033 4.550 0.000 0.000 0.334 1320 Y C 0.740 176.580 175.900 -0.101 0.000 0.958 1320 Y CA -0.397 57.703 58.100 -0.000 0.000 1.196 1320 Y CB 1.685 40.210 38.460 0.107 0.000 1.137 1320 Y HN 0.777 nan 8.280 nan 0.000 0.485 1321 A N 5.097 127.881 122.820 -0.060 0.000 2.539 1321 A HA 0.207 4.527 4.320 0.000 0.000 0.306 1321 A C 1.145 178.593 177.584 -0.228 0.000 1.392 1321 A CA -0.427 51.523 52.037 -0.145 0.000 1.060 1321 A CB 0.016 18.894 19.000 -0.203 0.000 1.134 1321 A HN 0.836 nan 8.150 nan 0.000 0.542 1322 M N 1.692 121.135 119.600 -0.262 0.000 2.267 1322 M HA -0.152 4.329 4.480 0.000 0.000 0.263 1322 M C 2.120 178.197 176.300 -0.372 0.000 1.063 1322 M CA 1.635 56.705 55.300 -0.384 0.000 1.090 1322 M CB -0.964 31.393 32.600 -0.405 0.000 1.392 1322 M HN 0.938 nan 8.290 nan 0.000 0.422 1323 E N 0.596 120.538 120.200 -0.430 0.000 2.338 1323 E HA -0.146 4.204 4.350 0.000 0.000 0.197 1323 E C 1.533 177.979 176.600 -0.256 0.000 1.007 1323 E CA 0.903 57.053 56.400 -0.417 0.000 0.849 1323 E CB -0.654 28.644 29.700 -0.670 0.000 0.774 1323 E HN 0.509 nan 8.360 nan 0.000 0.506 1324 L N 0.775 121.854 121.223 -0.240 0.000 2.629 1324 L HA 0.213 4.553 4.340 0.000 0.000 0.230 1324 L C 0.997 177.799 176.870 -0.114 0.000 1.151 1324 L CA -0.604 54.142 54.840 -0.157 0.000 0.924 1324 L CB -0.262 41.679 42.059 -0.196 0.000 1.137 1324 L HN 0.080 nan 8.230 nan 0.000 0.457 1325 M N 1.980 121.481 119.600 -0.166 0.000 2.290 1325 M HA 0.106 4.586 4.480 0.000 0.000 0.356 1325 M C -2.145 174.116 176.300 -0.065 0.000 1.448 1325 M CA -1.464 53.750 55.300 -0.142 0.000 0.993 1325 M CB -0.032 32.450 32.600 -0.196 0.000 1.934 1325 M HN -0.227 nan 8.290 nan 0.000 0.461 1326 P HA 0.072 nan 4.420 nan 0.000 0.265 1326 P C -0.991 176.305 177.300 -0.007 0.000 1.193 1326 P CA 0.073 63.174 63.100 0.003 0.000 0.765 1326 P CB 0.385 32.102 31.700 0.027 0.000 0.823 1327 R N 3.206 123.703 120.500 -0.005 0.000 4.154 1327 R HA 0.195 4.535 4.340 0.000 0.000 0.186 1327 R C 0.332 176.631 176.300 -0.001 0.000 1.750 1327 R CA 0.092 56.188 56.100 -0.007 0.000 1.431 1327 R CB -1.378 28.920 30.300 -0.004 0.000 1.383 1327 R HN 0.518 nan 8.270 nan 0.000 0.788 1328 I N -3.682 116.889 120.570 0.001 0.000 2.603 1328 I HA 0.430 4.601 4.170 0.000 0.000 0.300 1328 I C 1.331 177.448 176.117 0.001 0.000 1.017 1328 I CA -0.798 60.504 61.300 0.005 0.000 1.098 1328 I CB 2.248 40.256 38.000 0.013 0.000 1.279 1328 I HN 0.061 nan 8.210 nan 0.000 0.437 1329 S N 3.574 119.274 115.700 0.001 0.000 2.372 1329 S HA -0.255 4.216 4.470 0.000 0.000 0.227 1329 S C 1.946 176.546 174.600 -0.001 0.000 1.044 1329 S CA 2.337 60.536 58.200 -0.002 0.000 1.050 1329 S CB -0.398 62.801 63.200 -0.002 0.000 0.901 1329 S HN 0.892 nan 8.310 nan 0.000 0.447 1330 R N 0.534 121.036 120.500 0.003 0.000 2.285 1330 R HA 0.198 4.538 4.340 0.000 0.000 0.213 1330 R C 1.800 178.105 176.300 0.009 0.000 1.068 1330 R CA 1.140 57.242 56.100 0.005 0.000 1.004 1330 R CB -0.424 29.880 30.300 0.008 0.000 0.873 1330 R HN 0.373 nan 8.270 nan 0.000 0.467 1331 A N 0.827 123.652 122.820 0.009 0.000 2.275 1331 A HA 0.073 4.393 4.320 0.000 0.000 0.212 1331 A C 1.664 179.238 177.584 -0.018 0.000 1.201 1331 A CA -0.172 51.870 52.037 0.008 0.000 0.843 1331 A CB 0.017 19.023 19.000 0.011 0.000 0.873 1331 A HN 0.402 nan 8.150 nan 0.000 0.492 1332 Q N 0.428 120.217 119.800 -0.018 0.000 2.112 1332 Q HA -0.202 4.138 4.340 0.000 0.000 0.206 1332 Q C 2.236 178.213 176.000 -0.038 0.000 0.987 1332 Q CA 2.082 57.868 55.803 -0.027 0.000 0.858 1332 Q CB -0.316 28.410 28.738 -0.019 0.000 0.905 1332 Q HN 0.815 nan 8.270 nan 0.000 0.420 1333 S N -0.561 115.121 115.700 -0.030 0.000 2.555 1333 S HA -0.039 4.432 4.470 0.000 0.000 0.230 1333 S C 1.585 176.151 174.600 -0.058 0.000 0.978 1333 S CA 0.718 58.895 58.200 -0.037 0.000 0.934 1333 S CB -0.031 63.157 63.200 -0.021 0.000 0.766 1333 S HN 0.300 nan 8.310 nan 0.000 0.533 1334 M N 0.876 120.439 119.600 -0.063 0.000 2.333 1334 M HA 0.289 4.770 4.480 0.000 0.000 0.257 1334 M C 0.151 176.336 176.300 -0.191 0.000 1.078 1334 M CA -0.034 55.205 55.300 -0.101 0.000 1.005 1334 M CB 0.311 32.900 32.600 -0.018 0.000 1.444 1334 M HN 0.141 nan 8.290 nan 0.000 0.496 1335 D N 2.611 122.919 120.400 -0.153 0.000 2.352 1335 D HA 0.105 4.745 4.640 0.000 0.000 0.245 1335 D C 1.128 177.314 176.300 -0.190 0.000 1.224 1335 D CA 0.010 53.910 54.000 -0.167 0.000 0.879 1335 D CB 1.047 41.786 40.800 -0.102 0.000 1.057 1335 D HN 0.414 nan 8.370 nan 0.000 0.491 1336 I N 1.059 121.465 120.570 -0.273 0.000 2.439 1336 I HA -0.194 3.976 4.170 0.000 0.000 0.251 1336 I C 1.589 177.656 176.117 -0.084 0.000 1.139 1336 I CA 0.322 61.454 61.300 -0.280 0.000 1.438 1336 I CB -0.056 37.661 38.000 -0.471 0.000 1.085 1336 I HN 0.234 nan 8.210 nan 0.000 0.427 1337 L N 1.270 122.452 121.223 -0.068 0.000 2.046 1337 L HA -0.141 4.199 4.340 0.000 0.000 0.208 1337 L C 2.772 179.645 176.870 0.005 0.000 1.077 1337 L CA 1.755 56.595 54.840 0.000 0.000 0.747 1337 L CB -1.128 40.919 42.059 -0.019 0.000 0.896 1337 L HN 0.282 nan 8.230 nan 0.000 0.432 1338 S N -0.869 114.818 115.700 -0.023 0.000 2.355 1338 S HA -0.160 4.310 4.470 0.000 0.000 0.222 1338 S C 2.127 176.726 174.600 -0.002 0.000 1.031 1338 S CA 1.359 59.553 58.200 -0.011 0.000 0.993 1338 S CB -0.388 62.797 63.200 -0.024 0.000 0.859 1338 S HN 0.664 nan 8.310 nan 0.000 0.453 1339 S N 1.615 117.303 115.700 -0.020 0.000 2.382 1339 S HA -0.133 4.337 4.470 0.000 0.000 0.228 1339 S C 1.805 176.425 174.600 0.033 0.000 1.027 1339 S CA 0.826 59.024 58.200 -0.005 0.000 0.991 1339 S CB -0.417 62.765 63.200 -0.030 0.000 0.823 1339 S HN 0.341 nan 8.310 nan 0.000 0.469 1340 Q N 1.636 121.471 119.800 0.058 0.000 2.137 1340 Q HA 0.049 4.389 4.340 0.000 0.000 0.198 1340 Q C 2.727 178.770 176.000 0.071 0.000 0.960 1340 Q CA 1.601 57.457 55.803 0.088 0.000 0.847 1340 Q CB -0.876 27.946 28.738 0.141 0.000 0.915 1340 Q HN 0.834 nan 8.270 nan 0.000 0.448 1341 S N 1.125 116.862 115.700 0.062 0.000 2.423 1341 S HA -0.123 4.347 4.470 0.000 0.000 0.231 1341 S C 1.697 176.334 174.600 0.062 0.000 1.014 1341 S CA 1.100 59.336 58.200 0.060 0.000 0.965 1341 S CB -0.356 62.876 63.200 0.053 0.000 0.785 1341 S HN 0.381 nan 8.310 nan 0.000 0.495 1342 N N 1.837 120.569 118.700 0.053 0.000 2.120 1342 N HA -0.069 4.671 4.740 0.000 0.000 0.188 1342 N C 1.821 177.382 175.510 0.084 0.000 1.024 1342 N CA 1.569 54.654 53.050 0.058 0.000 0.852 1342 N CB -0.318 38.189 38.487 0.035 0.000 1.003 1342 N HN 0.485 nan 8.380 nan 0.000 0.424 1343 L N 0.659 121.926 121.223 0.074 0.000 2.141 1343 L HA -0.044 4.296 4.340 0.000 0.000 0.209 1343 L C 2.687 179.650 176.870 0.155 0.000 1.094 1343 L CA 0.930 55.831 54.840 0.101 0.000 0.763 1343 L CB -0.445 41.648 42.059 0.057 0.000 0.908 1343 L HN 0.192 nan 8.230 nan 0.000 0.437 1344 A N 0.371 123.255 122.820 0.107 0.000 1.969 1344 A HA -0.072 4.248 4.320 0.000 0.000 0.218 1344 A C 2.394 180.034 177.584 0.093 0.000 1.169 1344 A CA 1.524 53.615 52.037 0.091 0.000 0.635 1344 A CB -1.001 18.040 19.000 0.068 0.000 0.810 1344 A HN 0.422 nan 8.150 nan 0.000 0.445 1345 G N -1.443 107.419 108.800 0.103 0.000 2.402 1345 G HA2 -0.244 3.716 3.960 0.000 0.000 0.216 1345 G HA3 -0.244 3.716 3.960 0.000 0.000 0.216 1345 G C 1.540 176.500 174.900 0.100 0.000 1.162 1345 G CA 1.229 46.385 45.100 0.094 0.000 0.777 1345 G HN 0.643 nan 8.290 nan 0.000 0.539 1346 Y N 1.440 121.754 120.300 0.024 0.000 2.163 1346 Y HA -0.074 4.476 4.550 0.000 0.000 0.288 1346 Y C 2.873 178.778 175.900 0.008 0.000 1.136 1346 Y CA 2.047 60.155 58.100 0.015 0.000 1.147 1346 Y CB -0.165 38.299 38.460 0.006 0.000 0.987 1346 Y HN 0.135 nan 8.280 nan 0.000 0.509 1347 R N 1.147 121.648 120.500 0.001 0.000 2.120 1347 R HA -0.085 4.255 4.340 0.000 0.000 0.234 1347 R C 2.247 178.476 176.300 -0.119 0.000 1.123 1347 R CA 1.405 57.443 56.100 -0.102 0.000 0.975 1347 R CB -1.021 29.317 30.300 0.063 0.000 0.866 1347 R HN 0.495 nan 8.270 nan 0.000 0.446 1348 A N -0.441 122.353 122.820 -0.045 0.000 1.933 1348 A HA -0.098 4.223 4.320 0.000 0.000 0.218 1348 A C 2.231 179.795 177.584 -0.034 0.000 1.175 1348 A CA 1.731 53.766 52.037 -0.004 0.000 0.628 1348 A CB -0.558 18.460 19.000 0.030 0.000 0.814 1348 A HN 0.182 nan 8.150 nan 0.000 0.444 1349 V N -0.277 119.572 119.914 -0.108 0.000 2.358 1349 V HA -0.212 3.909 4.120 0.000 0.000 0.246 1349 V C 2.345 178.300 176.094 -0.231 0.000 1.047 1349 V CA 1.835 64.062 62.300 -0.121 0.000 1.035 1349 V CB -0.683 31.047 31.823 -0.154 0.000 0.658 1349 V HN 0.490 nan 8.190 nan 0.000 0.452 1350 I N 0.410 120.774 120.570 -0.343 0.000 2.252 1350 I HA -0.176 3.994 4.170 0.000 0.000 0.245 1350 I C 2.133 178.193 176.117 -0.094 0.000 1.102 1350 I CA 1.441 62.568 61.300 -0.289 0.000 1.385 1350 I CB -0.741 37.038 38.000 -0.369 0.000 1.064 1350 I HN 0.266 nan 8.210 nan 0.000 0.414 1351 D N 0.377 120.747 120.400 -0.049 0.000 2.178 1351 D HA -0.112 4.528 4.640 0.000 0.000 0.201 1351 D C 2.310 178.707 176.300 0.162 0.000 0.980 1351 D CA 1.490 55.537 54.000 0.078 0.000 0.842 1351 D CB -0.478 40.395 40.800 0.123 0.000 0.948 1351 D HN 0.417 nan 8.370 nan 0.000 0.472 1352 G N 0.795 109.658 108.800 0.105 0.000 2.404 1352 G HA2 -0.136 3.825 3.960 0.000 0.000 0.215 1352 G HA3 -0.136 3.825 3.960 0.000 0.000 0.215 1352 G C 1.731 176.776 174.900 0.242 0.000 1.174 1352 G CA 1.052 46.247 45.100 0.158 0.000 0.780 1352 G HN 0.371 nan 8.290 nan 0.000 0.537 1353 A N -0.118 122.771 122.820 0.116 0.000 1.972 1353 A HA -0.051 4.270 4.320 0.000 0.000 0.219 1353 A C 2.189 179.890 177.584 0.195 0.000 1.169 1353 A CA 1.691 53.784 52.037 0.094 0.000 0.635 1353 A CB -0.639 18.087 19.000 -0.455 0.000 0.810 1353 A HN 0.491 nan 8.150 nan 0.000 0.446 1354 Y N 0.709 121.036 120.300 0.045 0.000 2.224 1354 Y HA -0.139 4.411 4.550 0.000 0.000 0.289 1354 Y C 2.045 178.006 175.900 0.102 0.000 1.146 1354 Y CA 2.042 60.174 58.100 0.054 0.000 1.182 1354 Y CB 0.118 38.595 38.460 0.028 0.000 0.983 1354 Y HN 0.334 nan 8.280 nan 0.000 0.524 1355 E N -0.596 119.719 120.200 0.193 0.000 2.442 1355 E HA -0.053 4.297 4.350 0.000 0.000 0.195 1355 E C -0.279 176.427 176.600 0.177 0.000 1.030 1355 E CA 0.026 56.501 56.400 0.124 0.000 0.869 1355 E CB -0.250 29.566 29.700 0.192 0.000 0.857 1355 E HN 0.230 nan 8.360 nan 0.000 0.505 1356 F N 1.487 121.469 119.950 0.053 0.000 2.427 1356 F HA 0.309 4.836 4.527 0.001 0.000 0.352 1356 F C 1.041 176.856 175.800 0.026 0.000 1.100 1356 F CA -1.085 56.957 58.000 0.070 0.000 1.191 1356 F CB 1.106 40.218 39.000 0.187 0.000 1.128 1356 F HN -0.161 nan 8.300 nan 0.000 0.533 1357 A N 6.877 129.502 122.820 -0.325 0.000 2.302 1357 A HA 0.269 4.589 4.320 0.000 0.000 0.219 1357 A C 0.884 178.161 177.584 -0.510 0.000 1.243 1357 A CA 0.020 51.855 52.037 -0.338 0.000 0.856 1357 A CB -0.359 18.513 19.000 -0.213 0.000 0.893 1357 A HN 0.717 nan 8.150 nan 0.000 0.491 1358 R N -1.568 118.360 120.500 -0.953 0.000 2.912 1358 R HA 0.691 5.031 4.340 0.000 0.000 0.262 1358 R C -0.621 175.543 176.300 -0.228 0.000 1.057 1358 R CA -0.432 55.258 56.100 -0.684 0.000 0.981 1358 R CB 1.835 31.578 30.300 -0.929 0.000 1.201 1358 R HN 0.220 nan 8.270 nan 0.000 0.484 1359 A N 0.890 123.708 122.820 -0.004 0.000 2.310 1359 A HA 0.353 4.673 4.320 0.000 0.000 0.299 1359 A C 0.357 178.149 177.584 0.348 0.000 1.147 1359 A CA -0.432 51.715 52.037 0.183 0.000 0.818 1359 A CB 0.187 19.247 19.000 0.099 0.000 1.096 1359 A HN 0.799 nan 8.150 nan 0.000 0.495 1360 F N 2.034 122.079 119.950 0.158 0.000 2.113 1360 F HA -0.012 4.515 4.527 0.000 0.000 0.297 1360 F C -0.832 175.024 175.800 0.094 0.000 1.103 1360 F CA 0.997 59.087 58.000 0.149 0.000 1.248 1360 F CB -0.266 38.797 39.000 0.104 0.000 0.999 1360 F HN 0.372 nan 8.300 nan 0.000 0.475 1361 P HA 0.011 nan 4.420 nan 0.000 0.276 1361 P C -0.693 176.666 177.300 0.099 0.000 1.244 1361 P CA -0.237 62.954 63.100 0.151 0.000 0.801 1361 P CB 0.986 32.760 31.700 0.124 0.000 1.006 1362 M N 2.807 122.449 119.600 0.069 0.000 2.217 1362 M HA 0.298 4.779 4.480 0.000 0.000 0.354 1362 M C -0.764 175.562 176.300 0.043 0.000 1.225 1362 M CA 0.439 55.768 55.300 0.047 0.000 1.137 1362 M CB -0.011 32.610 32.600 0.035 0.000 1.576 1362 M HN 0.252 nan 8.290 nan 0.000 0.461 1363 M N 6.105 125.725 119.600 0.034 0.000 2.106 1363 M HA 0.351 4.831 4.480 0.000 0.000 0.288 1363 M C -1.567 174.745 176.300 0.019 0.000 0.941 1363 M CA -0.449 54.867 55.300 0.028 0.000 0.934 1363 M CB 1.976 34.593 32.600 0.028 0.000 1.551 1363 M HN 0.668 nan 8.290 nan 0.000 0.437 1364 M N 3.188 122.799 119.600 0.017 0.000 2.151 1364 M HA 0.295 4.775 4.480 0.000 0.000 0.349 1364 M C 0.324 176.630 176.300 0.011 0.000 1.284 1364 M CA -0.105 55.203 55.300 0.013 0.000 1.173 1364 M CB 0.637 33.244 32.600 0.012 0.000 1.469 1364 M HN 0.640 nan 8.290 nan 0.000 0.439 1365 T N -0.723 113.836 114.554 0.009 0.000 2.927 1365 T HA 0.773 5.123 4.350 0.000 0.000 0.286 1365 T C 1.121 175.824 174.700 0.005 0.000 1.040 1365 T CA -0.543 61.561 62.100 0.007 0.000 1.010 1365 T CB 1.550 70.421 68.868 0.006 0.000 1.177 1365 T HN 0.510 nan 8.240 nan 0.000 0.546 1366 A N 0.197 123.019 122.820 0.004 0.000 2.070 1366 A HA 0.304 4.624 4.320 0.000 0.000 0.220 1366 A C 2.282 179.867 177.584 0.002 0.000 1.159 1366 A CA 1.503 53.542 52.037 0.003 0.000 0.656 1366 A CB -1.272 17.729 19.000 0.003 0.000 0.800 1366 A HN 1.258 nan 8.150 nan 0.000 0.453 1367 A N -1.714 121.107 122.820 0.001 0.000 2.275 1367 A HA 0.513 4.833 4.320 0.000 0.000 0.212 1367 A C 1.149 178.732 177.584 -0.001 0.000 1.201 1367 A CA 1.105 53.141 52.037 -0.001 0.000 0.843 1367 A CB -0.535 18.463 19.000 -0.002 0.000 0.873 1367 A HN 1.915 nan 8.150 nan 0.000 0.492 1368 G N -1.504 107.296 108.800 0.001 0.000 2.353 1368 G HA2 0.355 4.315 3.960 0.000 0.000 0.424 1368 G HA3 0.355 4.315 3.960 0.000 0.000 0.424 1368 G C -0.350 174.552 174.900 0.003 0.000 1.320 1368 G CA -0.312 44.789 45.100 0.001 0.000 0.995 1368 G HN 1.035 nan 8.290 nan 0.000 0.580 1369 T N -1.581 112.975 114.554 0.004 0.000 2.767 1369 T HA 0.612 4.963 4.350 0.000 0.000 0.288 1369 T C 0.156 174.859 174.700 0.006 0.000 0.963 1369 T CA -0.572 61.532 62.100 0.007 0.000 1.019 1369 T CB 1.641 70.514 68.868 0.008 0.000 0.923 1369 T HN 1.229 nan 8.240 nan 0.000 0.468 1370 V N 7.148 127.068 119.914 0.010 0.000 2.427 1370 V HA 0.284 4.404 4.120 0.000 0.000 0.268 1370 V C -1.538 174.566 176.094 0.017 0.000 1.046 1370 V CA -1.679 60.627 62.300 0.010 0.000 0.970 1370 V CB 0.240 32.071 31.823 0.013 0.000 1.001 1370 V HN 0.829 nan 8.190 nan 0.000 0.476 1371 P HA 0.209 nan 4.420 nan 0.000 0.269 1371 P C -2.626 174.693 177.300 0.031 0.000 1.215 1371 P CA -1.239 61.873 63.100 0.019 0.000 0.780 1371 P CB 0.335 32.043 31.700 0.014 0.000 0.898 1372 P HA 0.201 nan 4.420 nan 0.000 0.279 1372 P C -0.553 176.749 177.300 0.002 0.000 1.252 1372 P CA -0.351 62.767 63.100 0.030 0.000 0.811 1372 P CB 0.717 32.429 31.700 0.021 0.000 1.035 1373 A N 3.262 126.054 122.820 -0.047 0.000 2.371 1373 A HA 0.339 4.659 4.320 0.000 0.000 0.257 1373 A C 0.299 177.745 177.584 -0.230 0.000 1.089 1373 A CA -0.462 51.471 52.037 -0.173 0.000 0.794 1373 A CB 0.022 18.686 19.000 -0.559 0.000 1.029 1373 A HN 0.471 nan 8.150 nan 0.000 0.488 1374 R N 1.058 121.427 120.500 -0.218 0.000 2.295 1374 R HA 0.513 4.853 4.340 0.000 0.000 0.324 1374 R C -1.386 174.775 176.300 -0.231 0.000 0.968 1374 R CA -0.450 55.547 56.100 -0.171 0.000 0.837 1374 R CB 1.656 31.896 30.300 -0.100 0.000 1.133 1374 R HN 0.455 nan 8.270 nan 0.000 0.450 1375 V N 4.940 124.738 119.914 -0.193 0.000 2.513 1375 V HA 0.429 4.549 4.120 0.000 0.000 0.299 1375 V C -0.312 175.731 176.094 -0.085 0.000 1.035 1375 V CA -0.841 61.364 62.300 -0.157 0.000 0.889 1375 V CB 2.084 33.835 31.823 -0.120 0.000 0.988 1375 V HN 0.608 nan 8.190 nan 0.000 0.440 1376 L N 5.042 126.237 121.223 -0.046 0.000 2.343 1376 L HA 0.618 4.958 4.340 0.000 0.000 0.278 1376 L C -1.058 175.820 176.870 0.014 0.000 0.996 1376 L CA -0.522 54.278 54.840 -0.066 0.000 0.831 1376 L CB 1.822 43.845 42.059 -0.060 0.000 1.232 1376 L HN 0.450 nan 8.230 nan 0.000 0.413 1377 V N 5.065 124.945 119.914 -0.055 0.000 2.370 1377 V HA 0.335 4.455 4.120 0.000 0.000 0.279 1377 V C -0.412 175.664 176.094 -0.030 0.000 1.029 1377 V CA -0.282 62.044 62.300 0.045 0.000 0.870 1377 V CB 1.198 33.044 31.823 0.039 0.000 0.984 1377 V HN 0.413 nan 8.190 nan 0.000 0.451 1378 F N 2.959 122.901 119.950 -0.014 0.000 2.405 1378 F HA 0.721 5.248 4.527 0.000 0.000 0.355 1378 F C 0.865 176.670 175.800 0.008 0.000 1.121 1378 F CA -0.285 57.706 58.000 -0.015 0.000 1.112 1378 F CB 1.370 40.358 39.000 -0.019 0.000 1.126 1378 F HN 0.760 nan 8.300 nan 0.000 0.481 1379 G N 1.938 110.825 108.800 0.144 0.000 3.409 1379 G HA2 0.132 4.093 3.960 0.000 0.000 0.686 1379 G HA3 0.132 4.093 3.960 0.000 0.000 0.686 1379 G C -0.874 174.086 174.900 0.100 0.000 1.017 1379 G CA -0.612 44.559 45.100 0.119 0.000 0.854 1379 G HN 1.324 nan 8.290 nan 0.000 0.508 1380 V N 1.807 121.781 119.914 0.100 0.000 2.435 1380 V HA 0.813 4.933 4.120 0.000 0.000 0.263 1380 V C 1.030 177.166 176.094 0.070 0.000 1.087 1380 V CA 0.665 63.021 62.300 0.093 0.000 1.253 1380 V CB 0.292 32.191 31.823 0.126 0.000 1.462 1380 V HN 1.689 nan 8.190 nan 0.000 0.547 1381 G N 0.683 109.521 108.800 0.063 0.000 2.641 1381 G HA2 0.432 4.392 3.960 0.000 0.000 0.239 1381 G HA3 0.432 4.392 3.960 0.000 0.000 0.239 1381 G C 0.735 175.662 174.900 0.046 0.000 1.402 1381 G CA 0.108 45.237 45.100 0.048 0.000 1.046 1381 G HN 0.204 nan 8.290 nan 0.000 0.565 1382 V N 1.000 120.937 119.914 0.039 0.000 2.295 1382 V HA -0.162 3.958 4.120 0.000 0.000 0.246 1382 V C 3.318 179.442 176.094 0.050 0.000 1.049 1382 V CA 2.603 64.926 62.300 0.038 0.000 1.024 1382 V CB -1.101 30.740 31.823 0.029 0.000 0.648 1382 V HN 0.748 nan 8.190 nan 0.000 0.447 1383 A N 0.606 123.460 122.820 0.055 0.000 1.877 1383 A HA -0.096 4.224 4.320 0.000 0.000 0.216 1383 A C 2.447 180.073 177.584 0.070 0.000 1.186 1383 A CA 1.997 54.073 52.037 0.065 0.000 0.620 1383 A CB -1.337 17.701 19.000 0.063 0.000 0.822 1383 A HN 0.530 nan 8.150 nan 0.000 0.443 1384 G N -0.313 108.529 108.800 0.070 0.000 2.442 1384 G HA2 -0.169 3.792 3.960 0.000 0.000 0.219 1384 G HA3 -0.169 3.792 3.960 0.000 0.000 0.219 1384 G C 1.561 176.504 174.900 0.071 0.000 1.141 1384 G CA 1.045 46.190 45.100 0.075 0.000 0.763 1384 G HN 0.428 nan 8.290 nan 0.000 0.554 1385 L N -0.393 120.869 121.223 0.064 0.000 2.046 1385 L HA -0.096 4.244 4.340 0.000 0.000 0.208 1385 L C 2.935 179.844 176.870 0.065 0.000 1.077 1385 L CA 1.390 56.265 54.840 0.059 0.000 0.747 1385 L CB -0.269 41.818 42.059 0.047 0.000 0.896 1385 L HN 0.247 nan 8.230 nan 0.000 0.432 1386 Q N -0.015 119.829 119.800 0.073 0.000 2.172 1386 Q HA -0.084 4.256 4.340 0.000 0.000 0.200 1386 Q C 2.106 178.165 176.000 0.099 0.000 0.964 1386 Q CA 1.577 57.435 55.803 0.092 0.000 0.855 1386 Q CB -0.112 28.690 28.738 0.108 0.000 0.918 1386 Q HN 0.419 nan 8.270 nan 0.000 0.444 1387 A N 0.201 123.071 122.820 0.084 0.000 1.902 1387 A HA -0.138 4.182 4.320 0.000 0.000 0.217 1387 A C 2.073 179.704 177.584 0.079 0.000 1.181 1387 A CA 1.451 53.533 52.037 0.075 0.000 0.623 1387 A CB -0.687 18.358 19.000 0.073 0.000 0.818 1387 A HN 0.456 nan 8.150 nan 0.000 0.443 1388 I N -0.249 120.365 120.570 0.074 0.000 2.179 1388 I HA -0.283 3.888 4.170 0.000 0.000 0.242 1388 I C 3.011 179.172 176.117 0.075 0.000 1.088 1388 I CA 1.052 62.394 61.300 0.069 0.000 1.357 1388 I CB -0.431 37.605 38.000 0.062 0.000 1.051 1388 I HN 0.359 nan 8.210 nan 0.000 0.409 1389 A N 0.449 123.315 122.820 0.076 0.000 1.865 1389 A HA -0.235 4.085 4.320 0.000 0.000 0.217 1389 A C 2.388 180.027 177.584 0.092 0.000 1.191 1389 A CA 2.716 54.800 52.037 0.078 0.000 0.623 1389 A CB -1.206 17.840 19.000 0.077 0.000 0.826 1389 A HN 0.405 nan 8.150 nan 0.000 0.444 1390 T N -0.077 114.540 114.554 0.105 0.000 2.904 1390 T HA 0.143 4.493 4.350 0.000 0.000 0.267 1390 T C 2.142 176.889 174.700 0.077 0.000 1.059 1390 T CA 1.163 63.322 62.100 0.099 0.000 1.137 1390 T CB -0.306 68.618 68.868 0.094 0.000 0.879 1390 T HN 0.586 nan 8.240 nan 0.000 0.467 1391 A N 1.784 124.670 122.820 0.112 0.000 1.898 1391 A HA -0.067 4.254 4.320 0.000 0.000 0.216 1391 A C 2.192 179.887 177.584 0.185 0.000 1.181 1391 A CA 1.824 53.985 52.037 0.207 0.000 0.620 1391 A CB -0.444 18.670 19.000 0.190 0.000 0.819 1391 A HN 0.356 nan 8.150 nan 0.000 0.442 1392 K N 0.179 120.650 120.400 0.119 0.000 2.057 1392 K HA -0.072 4.248 4.320 0.000 0.000 0.207 1392 K C 2.103 178.761 176.600 0.097 0.000 1.049 1392 K CA 1.508 57.852 56.287 0.096 0.000 0.931 1392 K CB -0.314 32.228 32.500 0.071 0.000 0.714 1392 K HN 0.450 nan 8.250 nan 0.000 0.440 1393 R N -0.067 120.487 120.500 0.090 0.000 2.103 1393 R HA -0.092 4.249 4.340 0.000 0.000 0.242 1393 R C 2.008 178.356 176.300 0.081 0.000 1.142 1393 R CA 1.628 57.775 56.100 0.078 0.000 0.960 1393 R CB -0.470 29.876 30.300 0.077 0.000 0.858 1393 R HN 0.229 nan 8.270 nan 0.000 0.439 1394 L N -0.040 121.242 121.223 0.098 0.000 2.610 1394 L HA 0.055 4.395 4.340 0.000 0.000 0.232 1394 L C 1.034 178.020 176.870 0.193 0.000 1.149 1394 L CA 0.507 55.415 54.840 0.114 0.000 0.872 1394 L CB -0.002 42.071 42.059 0.022 0.000 0.992 1394 L HN 0.544 nan 8.230 nan 0.000 0.447 1395 G N -0.366 108.528 108.800 0.157 0.000 2.143 1395 G HA2 -0.275 3.686 3.960 0.000 0.000 0.249 1395 G HA3 -0.275 3.686 3.960 0.000 0.000 0.249 1395 G C 0.407 175.382 174.900 0.125 0.000 0.981 1395 G CA 0.118 45.295 45.100 0.129 0.000 0.665 1395 G HN 0.516 nan 8.290 nan 0.000 0.528 1396 A N -0.817 122.095 122.820 0.154 0.000 2.280 1396 A HA 0.761 5.081 4.320 0.000 0.000 0.268 1396 A C 0.617 178.211 177.584 0.015 0.000 1.111 1396 A CA 0.245 52.308 52.037 0.044 0.000 0.814 1396 A CB 0.929 19.899 19.000 -0.050 0.000 1.093 1396 A HN 1.131 nan 8.150 nan 0.000 0.498 1397 V N 1.043 120.939 119.914 -0.030 0.000 2.406 1397 V HA 0.346 4.466 4.120 0.000 0.000 0.272 1397 V C -0.325 175.747 176.094 -0.037 0.000 1.043 1397 V CA -0.215 62.071 62.300 -0.023 0.000 0.915 1397 V CB 0.914 32.718 31.823 -0.032 0.000 0.988 1397 V HN 0.523 nan 8.190 nan 0.000 0.466 1398 V N 6.779 126.684 119.914 -0.014 0.000 2.384 1398 V HA 0.534 4.654 4.120 0.000 0.000 0.287 1398 V C -0.027 176.051 176.094 -0.027 0.000 1.020 1398 V CA -0.502 61.788 62.300 -0.017 0.000 0.850 1398 V CB 1.478 33.311 31.823 0.017 0.000 0.987 1398 V HN 0.776 nan 8.190 nan 0.000 0.436 1399 M N 3.806 123.370 119.600 -0.060 0.000 2.578 1399 M HA 0.884 5.364 4.480 0.000 0.000 0.321 1399 M C -0.193 176.029 176.300 -0.130 0.000 1.182 1399 M CA -0.227 55.015 55.300 -0.096 0.000 0.965 1399 M CB 2.082 34.601 32.600 -0.134 0.000 1.694 1399 M HN 0.827 nan 8.290 nan 0.000 0.461 1400 A N 0.689 123.407 122.820 -0.170 0.000 2.572 1400 A HA 0.878 5.198 4.320 0.000 0.000 0.295 1400 A C -1.132 176.204 177.584 -0.413 0.000 1.072 1400 A CA -0.617 51.299 52.037 -0.201 0.000 0.691 1400 A CB 1.822 20.813 19.000 -0.014 0.000 1.291 1400 A HN 0.657 nan 8.150 nan 0.000 0.404 1401 T N 0.341 114.633 114.554 -0.437 0.000 2.993 1401 T HA 0.615 4.965 4.350 0.000 0.000 0.312 1401 T C -2.434 172.133 174.700 -0.222 0.000 1.115 1401 T CA -0.333 61.427 62.100 -0.567 0.000 1.027 1401 T CB 1.473 69.989 68.868 -0.586 0.000 1.116 1401 T HN 0.841 nan 8.240 nan 0.000 0.464 1402 D N 2.575 122.933 120.400 -0.070 0.000 2.878 1402 D HA 0.145 4.785 4.640 0.000 0.000 0.211 1402 D C 1.630 178.037 176.300 0.178 0.000 1.271 1402 D CA -0.214 53.856 54.000 0.116 0.000 0.845 1402 D CB 2.022 42.941 40.800 0.198 0.000 1.679 1402 D HN 0.481 nan 8.370 nan 0.000 0.536 1403 V N 2.674 122.654 119.914 0.111 0.000 2.428 1403 V HA -0.209 3.912 4.120 0.000 0.000 0.255 1403 V C 0.964 177.132 176.094 0.124 0.000 1.080 1403 V CA 1.555 63.916 62.300 0.100 0.000 1.083 1403 V CB -1.034 30.830 31.823 0.069 0.000 0.665 1403 V HN 0.593 nan 8.190 nan 0.000 0.461 1404 R N 0.738 121.315 120.500 0.128 0.000 2.205 1404 R HA 0.714 5.054 4.340 0.000 0.000 0.342 1404 R C 0.926 177.268 176.300 0.069 0.000 1.058 1404 R CA 0.261 56.410 56.100 0.081 0.000 0.904 1404 R CB 1.074 31.400 30.300 0.042 0.000 1.089 1404 R HN 0.203 nan 8.270 nan 0.000 0.471 1405 A N 3.505 126.344 122.820 0.033 0.000 2.216 1405 A HA -0.031 4.290 4.320 0.000 0.000 0.214 1405 A C 2.010 179.417 177.584 -0.295 0.000 1.160 1405 A CA 1.065 53.017 52.037 -0.143 0.000 0.725 1405 A CB -0.261 18.732 19.000 -0.013 0.000 0.784 1405 A HN 0.907 nan 8.150 nan 0.000 0.472 1406 A N -0.087 122.637 122.820 -0.159 0.000 2.172 1406 A HA 0.002 4.322 4.320 0.000 0.000 0.216 1406 A C 1.999 179.472 177.584 -0.185 0.000 1.154 1406 A CA 1.764 53.716 52.037 -0.142 0.000 0.701 1406 A CB -0.885 18.071 19.000 -0.072 0.000 0.789 1406 A HN 0.687 nan 8.150 nan 0.000 0.465 1407 T N -3.248 111.150 114.554 -0.260 0.000 3.122 1407 T HA 0.166 4.516 4.350 0.000 0.000 0.250 1407 T C 1.368 175.817 174.700 -0.418 0.000 1.067 1407 T CA 0.620 62.580 62.100 -0.233 0.000 0.966 1407 T CB 0.177 68.992 68.868 -0.089 0.000 1.002 1407 T HN 0.359 nan 8.240 nan 0.000 0.542 1408 K N 2.804 122.798 120.400 -0.677 0.000 2.009 1408 K HA -0.206 4.114 4.320 0.000 0.000 0.210 1408 K C 2.262 178.698 176.600 -0.274 0.000 1.049 1408 K CA 2.152 58.012 56.287 -0.712 0.000 0.929 1408 K CB -0.302 31.850 32.500 -0.580 0.000 0.714 1408 K HN 0.683 nan 8.250 nan 0.000 0.440 1409 E N 0.056 120.140 120.200 -0.194 0.000 2.110 1409 E HA -0.262 4.088 4.350 0.000 0.000 0.193 1409 E C 2.043 178.603 176.600 -0.068 0.000 0.988 1409 E CA 1.250 57.589 56.400 -0.101 0.000 0.804 1409 E CB -0.303 29.347 29.700 -0.082 0.000 0.745 1409 E HN 0.454 nan 8.360 nan 0.000 0.458 1410 Q N 0.815 120.570 119.800 -0.075 0.000 2.079 1410 Q HA -0.106 4.235 4.340 0.000 0.000 0.200 1410 Q C 2.496 178.491 176.000 -0.007 0.000 0.974 1410 Q CA 1.697 57.479 55.803 -0.034 0.000 0.840 1410 Q CB -0.048 28.672 28.738 -0.030 0.000 0.898 1410 Q HN 0.200 nan 8.270 nan 0.000 0.430 1411 V N 1.626 121.539 119.914 -0.002 0.000 2.295 1411 V HA -0.265 3.855 4.120 0.000 0.000 0.246 1411 V C 1.928 178.048 176.094 0.043 0.000 1.049 1411 V CA 2.082 64.414 62.300 0.053 0.000 1.024 1411 V CB -0.531 31.379 31.823 0.146 0.000 0.648 1411 V HN 0.383 nan 8.190 nan 0.000 0.447 1412 E N 0.815 121.029 120.200 0.024 0.000 2.150 1412 E HA -0.162 4.188 4.350 0.000 0.000 0.193 1412 E C 2.242 178.851 176.600 0.015 0.000 0.985 1412 E CA 1.446 57.860 56.400 0.023 0.000 0.814 1412 E CB -0.275 29.432 29.700 0.011 0.000 0.752 1412 E HN 0.750 nan 8.360 nan 0.000 0.466 1413 S N 0.686 116.390 115.700 0.007 0.000 2.474 1413 S HA -0.031 4.440 4.470 0.000 0.000 0.235 1413 S C 1.813 176.423 174.600 0.016 0.000 0.997 1413 S CA 0.532 58.736 58.200 0.007 0.000 0.949 1413 S CB -0.163 63.037 63.200 -0.000 0.000 0.766 1413 S HN 0.183 nan 8.310 nan 0.000 0.517 1414 L N 0.357 121.595 121.223 0.024 0.000 2.607 1414 L HA 0.406 4.746 4.340 0.000 0.000 0.228 1414 L C 1.861 178.753 176.870 0.036 0.000 1.123 1414 L CA 0.383 55.242 54.840 0.032 0.000 0.890 1414 L CB -0.133 41.949 42.059 0.039 0.000 1.103 1414 L HN 0.573 nan 8.230 nan 0.000 0.468 1415 G N -0.272 108.547 108.800 0.032 0.000 2.195 1415 G HA2 -0.197 3.764 3.960 0.000 0.000 0.224 1415 G HA3 -0.197 3.764 3.960 0.000 0.000 0.224 1415 G C 0.509 175.429 174.900 0.034 0.000 0.990 1415 G CA -0.299 44.821 45.100 0.032 0.000 0.639 1415 G HN 0.473 nan 8.290 nan 0.000 0.514 1416 G N -0.030 108.793 108.800 0.040 0.000 2.502 1416 G HA2 0.656 4.616 3.960 0.000 0.000 0.305 1416 G HA3 0.656 4.616 3.960 0.000 0.000 0.305 1416 G C -0.095 174.834 174.900 0.049 0.000 1.190 1416 G CA -0.007 45.117 45.100 0.040 0.000 0.933 1416 G HN 0.907 nan 8.290 nan 0.000 0.503 1417 K N -0.475 119.950 120.400 0.043 0.000 2.292 1417 K HA 0.514 4.834 4.320 0.000 0.000 0.257 1417 K C -1.570 175.082 176.600 0.087 0.000 0.940 1417 K CA -0.848 55.476 56.287 0.061 0.000 0.811 1417 K CB 2.128 34.644 32.500 0.025 0.000 1.120 1417 K HN 0.220 nan 8.250 nan 0.000 0.428 1418 F N 3.720 123.646 119.950 -0.039 0.000 2.456 1418 F HA 0.295 4.822 4.527 0.000 0.000 0.358 1418 F C 0.089 175.856 175.800 -0.055 0.000 1.095 1418 F CA -0.882 57.089 58.000 -0.049 0.000 1.216 1418 F CB 0.511 39.490 39.000 -0.036 0.000 1.125 1418 F HN 0.452 nan 8.300 nan 0.000 0.549 1419 I N 6.135 126.387 120.570 -0.529 0.000 2.396 1419 I HA 0.111 4.281 4.170 0.000 0.000 0.289 1419 I C 0.355 176.279 176.117 -0.322 0.000 1.056 1419 I CA 0.161 61.241 61.300 -0.367 0.000 1.365 1419 I CB 0.446 38.213 38.000 -0.388 0.000 1.407 1419 I HN 0.583 nan 8.210 nan 0.000 0.509 1446 K N 1.708 122.106 120.400 -0.003 0.000 2.432 1446 K HA -0.037 4.283 4.320 0.000 0.000 0.196 1446 K C 1.926 178.516 176.600 -0.016 0.000 1.038 1446 K CA 0.904 57.187 56.287 -0.008 0.000 0.986 1446 K CB 0.170 32.667 32.500 -0.006 0.000 0.782 1446 K HN 0.140 nan 8.250 nan 0.000 0.485 1447 Q N 1.634 121.424 119.800 -0.017 0.000 2.020 1447 Q HA -0.122 4.218 4.340 0.000 0.000 0.202 1447 Q C 1.982 177.959 176.000 -0.039 0.000 0.982 1447 Q CA 2.132 57.914 55.803 -0.035 0.000 0.838 1447 Q CB -0.390 28.331 28.738 -0.028 0.000 0.899 1447 Q HN 0.259 nan 8.270 nan 0.000 0.423 1448 A N 0.473 123.283 122.820 -0.016 0.000 1.948 1448 A HA -0.282 4.039 4.320 0.000 0.000 0.220 1448 A C 2.059 179.638 177.584 -0.009 0.000 1.177 1448 A CA 1.915 53.950 52.037 -0.003 0.000 0.636 1448 A CB -0.889 18.117 19.000 0.010 0.000 0.815 1448 A HN 0.670 nan 8.150 nan 0.000 0.449 1449 E N -0.296 119.896 120.200 -0.014 0.000 2.110 1449 E HA -0.121 4.229 4.350 0.000 0.000 0.193 1449 E C 2.079 178.664 176.600 -0.026 0.000 0.988 1449 E CA 1.056 57.447 56.400 -0.015 0.000 0.804 1449 E CB -0.243 29.449 29.700 -0.013 0.000 0.745 1449 E HN 0.565 nan 8.360 nan 0.000 0.458 1450 A N 0.320 123.116 122.820 -0.039 0.000 1.929 1450 A HA -0.068 4.252 4.320 0.000 0.000 0.216 1450 A C 2.361 179.900 177.584 -0.076 0.000 1.176 1450 A CA 1.067 53.070 52.037 -0.056 0.000 0.628 1450 A CB -0.445 18.513 19.000 -0.069 0.000 0.816 1450 A HN 0.209 nan 8.150 nan 0.000 0.444 1451 V N 0.048 119.911 119.914 -0.085 0.000 2.295 1451 V HA -0.251 3.869 4.120 0.000 0.000 0.246 1451 V C 2.489 178.560 176.094 -0.037 0.000 1.049 1451 V CA 1.934 64.171 62.300 -0.105 0.000 1.024 1451 V CB -0.759 31.009 31.823 -0.092 0.000 0.648 1451 V HN 0.637 nan 8.190 nan 0.000 0.447 1452 L N -0.387 120.833 121.223 -0.004 0.000 2.083 1452 L HA -0.208 4.132 4.340 0.000 0.000 0.209 1452 L C 2.570 179.437 176.870 -0.005 0.000 1.083 1452 L CA 1.666 56.515 54.840 0.014 0.000 0.752 1452 L CB -0.224 41.841 42.059 0.009 0.000 0.899 1452 L HN 0.234 nan 8.230 nan 0.000 0.433 1453 K N -0.033 120.354 120.400 -0.021 0.000 2.103 1453 K HA -0.183 4.138 4.320 0.000 0.000 0.207 1453 K C 2.032 178.614 176.600 -0.029 0.000 1.048 1453 K CA 1.361 57.633 56.287 -0.025 0.000 0.930 1453 K CB -0.016 32.465 32.500 -0.031 0.000 0.716 1453 K HN 0.307 nan 8.250 nan 0.000 0.444 1454 E N -0.456 119.718 120.200 -0.043 0.000 2.140 1454 E HA -0.060 4.290 4.350 0.000 0.000 0.191 1454 E C 1.833 178.415 176.600 -0.029 0.000 0.973 1454 E CA 0.339 56.708 56.400 -0.052 0.000 0.829 1454 E CB -0.186 29.458 29.700 -0.094 0.000 0.781 1454 E HN 0.135 nan 8.360 nan 0.000 0.466 1455 L N 1.482 122.705 121.223 0.000 0.000 2.083 1455 L HA -0.140 4.200 4.340 0.000 0.000 0.209 1455 L C 2.359 179.241 176.870 0.021 0.000 1.083 1455 L CA 1.319 56.187 54.840 0.046 0.000 0.752 1455 L CB -0.570 41.555 42.059 0.111 0.000 0.899 1455 L HN 0.041 nan 8.230 nan 0.000 0.433 1456 V N -3.585 116.333 119.914 0.007 0.000 2.913 1456 V HA -0.168 3.952 4.120 0.000 0.000 0.260 1456 V C 2.010 178.102 176.094 -0.003 0.000 1.098 1456 V CA 1.716 64.016 62.300 0.001 0.000 1.121 1456 V CB -1.010 30.811 31.823 -0.004 0.000 0.714 1456 V HN 0.481 nan 8.190 nan 0.000 0.487 1457 K N 0.138 120.532 120.400 -0.009 0.000 2.358 1457 K HA 0.227 4.547 4.320 0.000 0.000 0.197 1457 K C 0.518 177.104 176.600 -0.023 0.000 1.025 1457 K CA 0.028 56.307 56.287 -0.014 0.000 1.104 1457 K CB 0.445 32.933 32.500 -0.020 0.000 0.855 1457 K HN 0.447 nan 8.250 nan 0.000 0.531 1458 T N 1.844 116.383 114.554 -0.025 0.000 2.901 1458 T HA 0.032 4.383 4.350 0.000 0.000 0.301 1458 T C 0.445 175.102 174.700 -0.072 0.000 1.012 1458 T CA -0.017 62.053 62.100 -0.050 0.000 1.135 1458 T CB 1.034 69.890 68.868 -0.020 0.000 0.936 1458 T HN 0.072 nan 8.240 nan 0.000 0.539 1459 D N 1.350 121.655 120.400 -0.158 0.000 2.338 1459 D HA 0.125 4.765 4.640 0.000 0.000 0.224 1459 D C 0.184 176.231 176.300 -0.421 0.000 0.967 1459 D CA 0.731 54.575 54.000 -0.259 0.000 0.896 1459 D CB 0.474 41.056 40.800 -0.362 0.000 1.028 1459 D HN 0.325 nan 8.370 nan 0.000 0.493 1460 I N 0.800 121.133 120.570 -0.394 0.000 2.468 1460 I HA 0.358 4.528 4.170 0.000 0.000 0.285 1460 I C -0.636 175.417 176.117 -0.107 0.000 1.039 1460 I CA -0.778 60.345 61.300 -0.295 0.000 1.074 1460 I CB 2.108 39.894 38.000 -0.356 0.000 1.228 1460 I HN -0.208 nan 8.210 nan 0.000 0.436 1461 A N 7.597 130.398 122.820 -0.033 0.000 2.288 1461 A HA 0.894 5.215 4.320 0.000 0.000 0.320 1461 A C -0.528 177.093 177.584 0.061 0.000 1.217 1461 A CA -0.393 51.690 52.037 0.077 0.000 0.840 1461 A CB 0.452 19.502 19.000 0.083 0.000 1.179 1461 A HN 0.644 nan 8.150 nan 0.000 0.504 1462 I N 2.798 123.447 120.570 0.132 0.000 2.418 1462 I HA 0.340 4.511 4.170 0.000 0.000 0.287 1462 I C 0.229 176.433 176.117 0.146 0.000 1.008 1462 I CA -0.377 60.981 61.300 0.097 0.000 1.104 1462 I CB 2.339 40.392 38.000 0.088 0.000 1.264 1462 I HN 0.721 nan 8.210 nan 0.000 0.438 1463 T N 0.558 115.145 114.554 0.055 0.000 2.794 1463 T HA 0.432 4.783 4.350 0.000 0.000 0.280 1463 T C 0.480 175.215 174.700 0.058 0.000 0.987 1463 T CA -0.443 61.688 62.100 0.051 0.000 0.993 1463 T CB 1.565 70.372 68.868 -0.101 0.000 0.939 1463 T HN 0.727 nan 8.240 nan 0.000 0.449 1464 T N -1.169 113.437 114.554 0.087 0.000 3.144 1464 T HA 0.521 4.871 4.350 0.000 0.000 0.290 1464 T C 0.675 175.412 174.700 0.063 0.000 0.966 1464 T CA -0.102 62.040 62.100 0.069 0.000 0.907 1464 T CB -0.077 68.838 68.868 0.078 0.000 1.152 1464 T HN 0.986 nan 8.240 nan 0.000 0.532 1465 A N 1.983 124.841 122.820 0.063 0.000 2.409 1465 A HA 0.713 5.034 4.320 0.000 0.000 0.267 1465 A C -0.258 177.350 177.584 0.039 0.000 1.127 1465 A CA -0.262 51.808 52.037 0.056 0.000 0.795 1465 A CB 0.012 19.050 19.000 0.063 0.000 1.061 1465 A HN 0.643 nan 8.150 nan 0.000 0.502 1466 L N 2.785 124.032 121.223 0.039 0.000 2.422 1466 L HA 0.557 4.898 4.340 0.000 0.000 0.264 1466 L C -0.911 175.978 176.870 0.031 0.000 0.984 1466 L CA -0.425 54.435 54.840 0.033 0.000 0.819 1466 L CB 2.273 44.354 42.059 0.037 0.000 1.330 1466 L HN 0.613 nan 8.230 nan 0.000 0.410 1467 I N 3.271 123.858 120.570 0.027 0.000 2.448 1467 I HA 0.293 4.464 4.170 0.000 0.000 0.281 1467 I C -2.278 173.854 176.117 0.024 0.000 1.027 1467 I CA -1.844 59.471 61.300 0.025 0.000 1.111 1467 I CB 2.067 40.081 38.000 0.023 0.000 1.236 1467 I HN 0.246 nan 8.210 nan 0.000 0.452 1468 P HA -0.015 nan 4.420 nan 0.000 0.258 1468 P C 0.875 178.188 177.300 0.022 0.000 1.172 1468 P CA 0.842 63.955 63.100 0.022 0.000 0.762 1468 P CB 0.358 32.067 31.700 0.016 0.000 0.764 1469 G N 1.552 110.366 108.800 0.023 0.000 2.198 1469 G HA2 -0.229 3.731 3.960 0.000 0.000 0.260 1469 G HA3 -0.229 3.731 3.960 0.000 0.000 0.260 1469 G C -0.009 174.902 174.900 0.019 0.000 1.025 1469 G CA 0.005 45.118 45.100 0.022 0.000 0.769 1469 G HN 0.522 nan 8.290 nan 0.000 0.507 1470 K N -0.726 119.686 120.400 0.019 0.000 2.532 1470 K HA 0.473 4.793 4.320 0.000 0.000 0.265 1470 K C -2.882 173.727 176.600 0.015 0.000 0.948 1470 K CA -1.923 54.373 56.287 0.016 0.000 0.842 1470 K CB 1.814 34.324 32.500 0.016 0.000 1.392 1470 K HN -0.069 nan 8.250 nan 0.000 0.436 1471 P HA 0.096 nan 4.420 nan 0.000 0.268 1471 P C -0.721 176.585 177.300 0.009 0.000 1.205 1471 P CA -0.110 62.995 63.100 0.009 0.000 0.771 1471 P CB 0.468 32.171 31.700 0.005 0.000 0.858 1472 A N 5.710 128.535 122.820 0.008 0.000 2.520 1472 A HA 0.251 4.572 4.320 0.000 0.000 0.235 1472 A C -1.841 175.746 177.584 0.005 0.000 1.065 1472 A CA -0.706 51.336 52.037 0.009 0.000 0.764 1472 A CB -1.111 17.892 19.000 0.005 0.000 1.002 1472 A HN 0.436 nan 8.150 nan 0.000 0.502 1473 P HA 0.194 nan 4.420 nan 0.000 0.276 1473 P C -0.576 176.722 177.300 -0.004 0.000 1.230 1473 P CA -0.134 62.972 63.100 0.009 0.000 0.776 1473 P CB 0.840 32.553 31.700 0.023 0.000 0.888 1474 V N 5.410 125.318 119.914 -0.010 0.000 2.415 1474 V HA 0.008 4.129 4.120 0.000 0.000 0.267 1474 V C 1.690 177.763 176.094 -0.034 0.000 1.042 1474 V CA 0.439 62.721 62.300 -0.030 0.000 1.000 1474 V CB -0.022 31.786 31.823 -0.025 0.000 1.015 1474 V HN 0.492 nan 8.190 nan 0.000 0.478 1475 L N 5.444 126.619 121.223 -0.080 0.000 2.575 1475 L HA 0.422 4.762 4.340 0.000 0.000 0.228 1475 L C 0.375 177.107 176.870 -0.231 0.000 1.075 1475 L CA 0.562 55.345 54.840 -0.095 0.000 0.867 1475 L CB 0.350 42.355 42.059 -0.091 0.000 1.097 1475 L HN 0.445 nan 8.230 nan 0.000 0.485 1476 I N 0.801 121.214 120.570 -0.262 0.000 2.493 1476 I HA 0.141 4.311 4.170 0.000 0.000 0.279 1476 I C 0.296 176.336 176.117 -0.128 0.000 1.045 1476 I CA -0.380 60.767 61.300 -0.254 0.000 1.106 1476 I CB 1.766 39.543 38.000 -0.373 0.000 1.216 1476 I HN 0.033 nan 8.210 nan 0.000 0.459 1477 T N 0.152 114.661 114.554 -0.076 0.000 2.766 1477 T HA 0.089 4.439 4.350 0.000 0.000 0.295 1477 T C 1.095 175.773 174.700 -0.036 0.000 1.024 1477 T CA -0.277 61.796 62.100 -0.045 0.000 1.018 1477 T CB 1.683 70.534 68.868 -0.029 0.000 1.002 1477 T HN 0.722 nan 8.240 nan 0.000 0.532 1478 E N -0.029 120.162 120.200 -0.015 0.000 2.110 1478 E HA -0.230 4.120 4.350 0.000 0.000 0.193 1478 E C 1.976 178.558 176.600 -0.031 0.000 0.988 1478 E CA 1.116 57.523 56.400 0.013 0.000 0.804 1478 E CB -0.102 29.626 29.700 0.048 0.000 0.745 1478 E HN 0.778 nan 8.360 nan 0.000 0.458 1479 E N 0.758 120.931 120.200 -0.044 0.000 2.058 1479 E HA -0.236 4.115 4.350 0.000 0.000 0.194 1479 E C 2.027 178.586 176.600 -0.068 0.000 0.997 1479 E CA 1.567 57.925 56.400 -0.069 0.000 0.801 1479 E CB -0.221 29.452 29.700 -0.045 0.000 0.746 1479 E HN 0.420 nan 8.360 nan 0.000 0.450 1480 M N 0.072 119.645 119.600 -0.045 0.000 2.213 1480 M HA -0.155 4.325 4.480 0.000 0.000 0.263 1480 M C 2.372 178.650 176.300 -0.037 0.000 1.062 1480 M CA 0.967 56.247 55.300 -0.033 0.000 1.105 1480 M CB -0.069 32.516 32.600 -0.025 0.000 1.385 1480 M HN -0.018 nan 8.290 nan 0.000 0.417 1481 V N 0.153 120.044 119.914 -0.037 0.000 2.358 1481 V HA -0.241 3.879 4.120 0.000 0.000 0.246 1481 V C 2.591 178.667 176.094 -0.031 0.000 1.047 1481 V CA 2.287 64.582 62.300 -0.008 0.000 1.035 1481 V CB -1.449 30.409 31.823 0.059 0.000 0.658 1481 V HN 0.644 nan 8.190 nan 0.000 0.452 1482 T N -1.568 112.898 114.554 -0.147 0.000 2.977 1482 T HA -0.183 4.167 4.350 0.000 0.000 0.271 1482 T C 1.376 176.008 174.700 -0.113 0.000 1.105 1482 T CA 1.208 63.157 62.100 -0.252 0.000 1.116 1482 T CB -0.343 68.281 68.868 -0.407 0.000 0.878 1482 T HN 0.548 nan 8.240 nan 0.000 0.509 1483 K N 0.147 120.507 120.400 -0.068 0.000 2.372 1483 K HA 0.353 4.673 4.320 0.000 0.000 0.200 1483 K C 0.366 176.957 176.600 -0.015 0.000 1.022 1483 K CA -0.152 56.112 56.287 -0.038 0.000 1.125 1483 K CB 0.186 32.667 32.500 -0.032 0.000 0.855 1483 K HN 0.437 nan 8.250 nan 0.000 0.524 1484 M N 2.167 121.763 119.600 -0.007 0.000 2.291 1484 M HA 0.126 4.606 4.480 0.000 0.000 0.324 1484 M C 0.340 176.649 176.300 0.016 0.000 1.148 1484 M CA -0.340 54.964 55.300 0.008 0.000 1.104 1484 M CB 0.893 33.501 32.600 0.012 0.000 1.483 1484 M HN -0.025 nan 8.290 nan 0.000 0.467 1485 K N 1.300 121.713 120.400 0.020 0.000 2.202 1485 K HA 0.430 4.751 4.320 0.000 0.000 0.264 1485 K C -2.808 173.818 176.600 0.044 0.000 1.010 1485 K CA -1.612 54.692 56.287 0.029 0.000 0.940 1485 K CB -0.203 32.315 32.500 0.030 0.000 0.983 1485 K HN 0.195 nan 8.250 nan 0.000 0.475 1486 P HA 0.016 nan 4.420 nan 0.000 0.268 1486 P C 0.505 177.847 177.300 0.069 0.000 1.204 1486 P CA 0.887 64.015 63.100 0.047 0.000 0.768 1486 P CB 0.693 32.412 31.700 0.032 0.000 0.842 1487 G N 1.461 110.310 108.800 0.082 0.000 2.217 1487 G HA2 -0.238 3.722 3.960 0.000 0.000 0.246 1487 G HA3 -0.238 3.722 3.960 0.000 0.000 0.246 1487 G C 0.494 175.530 174.900 0.228 0.000 0.990 1487 G CA -0.012 45.165 45.100 0.129 0.000 0.627 1487 G HN 0.579 nan 8.290 nan 0.000 0.522 1488 S N -0.524 115.264 115.700 0.148 0.000 2.584 1488 S HA 0.529 5.000 4.470 0.000 0.000 0.270 1488 S C 0.356 174.987 174.600 0.052 0.000 1.346 1488 S CA 0.305 58.555 58.200 0.084 0.000 1.018 1488 S CB 1.956 65.172 63.200 0.027 0.000 0.899 1488 S HN 0.908 nan 8.310 nan 0.000 0.542 1489 V N 2.791 122.685 119.914 -0.033 0.000 2.656 1489 V HA 0.510 4.630 4.120 0.000 0.000 0.307 1489 V C -0.486 175.583 176.094 -0.040 0.000 1.051 1489 V CA -0.588 61.703 62.300 -0.015 0.000 0.893 1489 V CB 1.700 33.528 31.823 0.007 0.000 0.999 1489 V HN 0.726 nan 8.190 nan 0.000 0.426 1490 I N 4.964 125.518 120.570 -0.026 0.000 2.406 1490 I HA 0.473 4.643 4.170 0.000 0.000 0.290 1490 I C -1.041 175.057 176.117 -0.032 0.000 0.999 1490 I CA -0.592 60.684 61.300 -0.039 0.000 1.124 1490 I CB 1.944 39.908 38.000 -0.059 0.000 1.289 1490 I HN 0.341 nan 8.210 nan 0.000 0.441 1491 I N 5.115 125.674 120.570 -0.020 0.000 2.359 1491 I HA 0.200 4.370 4.170 0.000 0.000 0.284 1491 I C -0.283 175.824 176.117 -0.017 0.000 1.018 1491 I CA -0.289 61.006 61.300 -0.008 0.000 1.173 1491 I CB 1.074 39.089 38.000 0.025 0.000 1.326 1491 I HN 0.493 nan 8.210 nan 0.000 0.462 1492 D N 7.183 127.563 120.400 -0.034 0.000 2.500 1492 D HA 0.210 4.851 4.640 0.000 0.000 0.219 1492 D C 1.092 177.385 176.300 -0.012 0.000 1.137 1492 D CA -0.223 53.755 54.000 -0.037 0.000 0.946 1492 D CB 0.762 41.529 40.800 -0.055 0.000 1.022 1492 D HN 0.430 nan 8.370 nan 0.000 0.518 1493 L N 1.880 123.107 121.223 0.008 0.000 2.549 1493 L HA -0.009 4.332 4.340 0.000 0.000 0.229 1493 L C 1.753 178.634 176.870 0.018 0.000 1.158 1493 L CA 0.482 55.336 54.840 0.023 0.000 0.842 1493 L CB -0.067 42.015 42.059 0.038 0.000 0.952 1493 L HN 0.334 nan 8.230 nan 0.000 0.452 1494 A N -1.058 121.765 122.820 0.006 0.000 2.465 1494 A HA 0.101 4.422 4.320 0.000 0.000 0.255 1494 A C 1.949 179.531 177.584 -0.003 0.000 1.274 1494 A CA 0.032 52.072 52.037 0.006 0.000 0.920 1494 A CB -0.006 18.996 19.000 0.004 0.000 1.033 1494 A HN 0.107 nan 8.150 nan 0.000 0.516 1495 V N 0.579 120.488 119.914 -0.009 0.000 2.380 1495 V HA -0.272 3.848 4.120 0.000 0.000 0.251 1495 V C 1.821 177.909 176.094 -0.009 0.000 1.063 1495 V CA 2.725 65.016 62.300 -0.015 0.000 1.055 1495 V CB -0.367 31.444 31.823 -0.021 0.000 0.657 1495 V HN 0.729 nan 8.190 nan 0.000 0.455 1496 E N -0.460 119.738 120.200 -0.003 0.000 2.502 1496 E HA 0.168 4.518 4.350 0.000 0.000 0.194 1496 E C 1.349 177.949 176.600 -0.000 0.000 1.062 1496 E CA 0.540 56.938 56.400 -0.003 0.000 0.867 1496 E CB 0.024 29.721 29.700 -0.005 0.000 0.888 1496 E HN 0.665 nan 8.360 nan 0.000 0.510 1497 A N -0.233 122.589 122.820 0.002 0.000 2.589 1497 A HA 0.504 4.824 4.320 0.000 0.000 0.283 1497 A C 1.281 178.866 177.584 0.002 0.000 1.187 1497 A CA 0.329 52.370 52.037 0.006 0.000 0.957 1497 A CB 0.418 19.425 19.000 0.013 0.000 1.175 1497 A HN 0.254 nan 8.150 nan 0.000 0.532 1498 G N -1.555 107.242 108.800 -0.004 0.000 2.278 1498 G HA2 0.326 4.286 3.960 0.000 0.000 0.210 1498 G HA3 0.326 4.286 3.960 0.000 0.000 0.210 1498 G C 1.316 176.207 174.900 -0.015 0.000 1.000 1498 G CA 0.461 45.556 45.100 -0.008 0.000 0.635 1498 G HN 2.437 nan 8.290 nan 0.000 0.495 1499 G N -0.556 108.235 108.800 -0.015 0.000 2.721 1499 G HA2 -0.021 3.939 3.960 0.000 0.000 0.686 1499 G HA3 -0.021 3.939 3.960 0.000 0.000 0.686 1499 G C 0.137 175.016 174.900 -0.035 0.000 1.236 1499 G CA 0.448 45.532 45.100 -0.026 0.000 0.786 1499 G HN 0.977 nan 8.290 nan 0.000 0.616 1500 N N -0.888 117.782 118.700 -0.050 0.000 2.463 1500 N HA 0.190 4.930 4.740 0.000 0.000 0.181 1500 N C 0.607 176.052 175.510 -0.108 0.000 1.078 1500 N CA 0.925 53.931 53.050 -0.073 0.000 0.902 1500 N CB 0.475 38.909 38.487 -0.089 0.000 0.970 1500 N HN 0.704 nan 8.380 nan 0.000 0.451 1501 C N 1.275 120.518 119.300 -0.095 0.000 2.397 1501 C HA 0.376 4.837 4.460 0.000 0.000 0.325 1501 C C -1.519 173.436 174.990 -0.059 0.000 1.201 1501 C CA -2.061 56.900 59.018 -0.095 0.000 1.377 1501 C CB 1.228 28.902 27.740 -0.111 0.000 2.038 1501 C HN 0.231 nan 8.230 nan 0.000 0.457 1502 P HA -0.095 nan 4.420 nan 0.000 0.225 1502 P C 1.097 178.381 177.300 -0.026 0.000 1.148 1502 P CA 1.340 64.422 63.100 -0.029 0.000 0.779 1502 P CB 0.160 31.848 31.700 -0.020 0.000 0.780 1503 L N -0.361 120.845 121.223 -0.028 0.000 2.558 1503 L HA 0.053 4.393 4.340 0.000 0.000 0.225 1503 L C 1.455 178.300 176.870 -0.041 0.000 1.128 1503 L CA 0.056 54.878 54.840 -0.030 0.000 0.868 1503 L CB -0.559 41.489 42.059 -0.018 0.000 1.006 1503 L HN 0.018 nan 8.230 nan 0.000 0.454 1504 S N -0.052 115.620 115.700 -0.045 0.000 2.585 1504 S HA 0.290 4.760 4.470 0.000 0.000 0.273 1504 S C -0.176 174.397 174.600 -0.045 0.000 1.339 1504 S CA -0.538 57.631 58.200 -0.051 0.000 1.028 1504 S CB 1.437 64.605 63.200 -0.055 0.000 0.906 1504 S HN 0.186 nan 8.310 nan 0.000 0.528 1505 E N 1.429 121.600 120.200 -0.049 0.000 2.256 1505 E HA 0.384 4.734 4.350 0.000 0.000 0.268 1505 E C -2.889 173.687 176.600 -0.041 0.000 0.877 1505 E CA -2.518 53.858 56.400 -0.040 0.000 0.757 1505 E CB 1.902 31.579 29.700 -0.039 0.000 1.183 1505 E HN 0.423 nan 8.360 nan 0.000 0.418 1506 P HA -0.008 nan 4.420 nan 0.000 0.264 1506 P C 0.584 177.877 177.300 -0.013 0.000 1.193 1506 P CA 0.749 63.838 63.100 -0.019 0.000 0.763 1506 P CB 0.436 32.130 31.700 -0.011 0.000 0.810 1507 G N 1.716 110.517 108.800 0.001 0.000 2.168 1507 G HA2 -0.278 3.683 3.960 0.000 0.000 0.257 1507 G HA3 -0.278 3.683 3.960 0.000 0.000 0.257 1507 G C -0.019 174.887 174.900 0.010 0.000 0.997 1507 G CA 0.260 45.380 45.100 0.034 0.000 0.708 1507 G HN 0.573 nan 8.290 nan 0.000 0.520 1508 K N -1.160 119.206 120.400 -0.056 0.000 2.466 1508 K HA 0.754 5.074 4.320 0.000 0.000 0.260 1508 K C -0.701 175.818 176.600 -0.134 0.000 1.011 1508 K CA -1.108 55.139 56.287 -0.066 0.000 0.871 1508 K CB 2.049 34.525 32.500 -0.039 0.000 1.404 1508 K HN 0.069 nan 8.250 nan 0.000 0.450 1509 I N 2.245 122.762 120.570 -0.088 0.000 2.411 1509 I HA 0.236 4.406 4.170 0.000 0.000 0.284 1509 I C -0.635 175.456 176.117 -0.044 0.000 1.012 1509 I CA -0.987 60.264 61.300 -0.082 0.000 1.119 1509 I CB 1.737 39.714 38.000 -0.038 0.000 1.261 1509 I HN 0.291 nan 8.210 nan 0.000 0.448 1510 V N 4.422 124.307 119.914 -0.048 0.000 2.715 1510 V HA 0.640 4.761 4.120 0.000 0.000 0.310 1510 V C -0.405 175.666 176.094 -0.038 0.000 1.054 1510 V CA -0.720 61.555 62.300 -0.041 0.000 0.928 1510 V CB 1.948 33.741 31.823 -0.050 0.000 1.007 1510 V HN 0.320 nan 8.190 nan 0.000 0.437 1511 V N 4.009 123.901 119.914 -0.038 0.000 2.328 1511 V HA 0.545 4.665 4.120 0.000 0.000 0.278 1511 V C 0.041 176.093 176.094 -0.071 0.000 1.021 1511 V CA -0.391 61.888 62.300 -0.036 0.000 0.838 1511 V CB 0.781 32.592 31.823 -0.021 0.000 0.999 1511 V HN 0.995 nan 8.190 nan 0.000 0.447 1512 K N 3.639 123.988 120.400 -0.085 0.000 2.471 1512 K HA 0.534 4.855 4.320 0.000 0.000 0.252 1512 K C -0.320 176.200 176.600 -0.133 0.000 0.938 1512 K CA -0.931 55.234 56.287 -0.203 0.000 0.796 1512 K CB 1.387 33.749 32.500 -0.230 0.000 1.161 1512 K HN 0.718 nan 8.250 nan 0.000 0.425 1513 H N 0.802 119.867 119.070 -0.008 0.000 2.820 1513 H HA -0.204 4.352 4.556 0.000 0.000 0.295 1513 H C 0.966 176.292 175.328 -0.003 0.000 1.187 1513 H CA 1.441 57.485 56.048 -0.007 0.000 1.144 1513 H CB -1.423 28.333 29.762 -0.010 0.000 1.354 1513 H HN 1.223 nan 8.280 nan 0.000 0.395 1514 G N -1.694 107.146 108.800 0.066 0.000 2.205 1514 G HA2 -0.327 3.634 3.960 0.000 0.000 0.261 1514 G HA3 -0.327 3.634 3.960 0.000 0.000 0.261 1514 G C 0.340 175.269 174.900 0.047 0.000 0.980 1514 G CA 0.349 45.479 45.100 0.049 0.000 0.632 1514 G HN 0.522 nan 8.290 nan 0.000 0.533 1515 V N 1.073 121.017 119.914 0.050 0.000 2.481 1515 V HA 0.447 4.567 4.120 0.000 0.000 0.286 1515 V C 0.679 176.785 176.094 0.021 0.000 1.042 1515 V CA -0.737 61.587 62.300 0.040 0.000 0.928 1515 V CB 1.756 33.603 31.823 0.040 0.000 0.986 1515 V HN 0.259 nan 8.190 nan 0.000 0.462 1516 K N 4.619 125.036 120.400 0.028 0.000 2.312 1516 K HA 0.438 4.758 4.320 0.000 0.000 0.287 1516 K C -0.912 175.687 176.600 -0.003 0.000 1.062 1516 K CA -0.371 55.926 56.287 0.017 0.000 0.934 1516 K CB 0.655 33.181 32.500 0.044 0.000 1.027 1516 K HN 0.433 nan 8.250 nan 0.000 0.478 1517 I N 4.788 125.344 120.570 -0.024 0.000 2.354 1517 I HA 0.176 4.346 4.170 0.000 0.000 0.286 1517 I C -0.079 175.997 176.117 -0.069 0.000 1.007 1517 I CA -0.826 60.448 61.300 -0.043 0.000 1.167 1517 I CB 1.096 39.067 38.000 -0.048 0.000 1.320 1517 I HN 0.187 nan 8.210 nan 0.000 0.458 1518 V N 5.207 125.073 119.914 -0.081 0.000 2.407 1518 V HA 0.669 4.790 4.120 0.000 0.000 0.278 1518 V C 0.880 176.873 176.094 -0.169 0.000 1.037 1518 V CA -0.358 61.846 62.300 -0.160 0.000 0.900 1518 V CB 1.421 33.169 31.823 -0.126 0.000 0.983 1518 V HN 0.954 nan 8.190 nan 0.000 0.459 1519 G N 2.627 111.285 108.800 -0.235 0.000 4.855 1519 G HA2 0.323 4.283 3.960 0.000 0.000 0.275 1519 G HA3 0.323 4.283 3.960 0.000 0.000 0.275 1519 G C -0.287 174.541 174.900 -0.120 0.000 1.282 1519 G CA -0.470 44.548 45.100 -0.138 0.000 0.930 1519 G HN 0.807 nan 8.290 nan 0.000 0.575 1520 H N 1.163 120.229 119.070 -0.006 0.000 2.871 1520 H HA 0.271 4.827 4.556 0.000 0.000 0.355 1520 H C 1.236 176.556 175.328 -0.014 0.000 1.092 1520 H CA 1.015 57.056 56.048 -0.011 0.000 1.420 1520 H CB 1.029 30.783 29.762 -0.014 0.000 1.400 1520 H HN 0.363 nan 8.280 nan 0.000 0.604 1521 T N 0.269 114.898 114.554 0.125 0.000 2.918 1521 T HA 0.074 4.425 4.350 0.000 0.000 0.283 1521 T C 0.648 175.368 174.700 0.032 0.000 1.001 1521 T CA -1.062 61.068 62.100 0.050 0.000 1.041 1521 T CB 0.763 69.645 68.868 0.024 0.000 1.028 1521 T HN 0.762 nan 8.240 nan 0.000 0.511 1522 N N 0.531 119.232 118.700 0.002 0.000 2.678 1522 N HA -0.160 4.580 4.740 0.000 0.000 0.268 1522 N C 0.790 176.293 175.510 -0.011 0.000 1.010 1522 N CA 0.580 53.618 53.050 -0.020 0.000 0.784 1522 N CB -1.314 37.148 38.487 -0.041 0.000 0.905 1522 N HN 0.572 nan 8.380 nan 0.000 0.552 1523 V N 1.211 121.133 119.914 0.012 0.000 2.392 1523 V HA -0.167 3.953 4.120 0.000 0.000 0.249 1523 V C -0.374 175.726 176.094 0.009 0.000 1.059 1523 V CA 2.228 64.538 62.300 0.017 0.000 1.051 1523 V CB -0.932 30.918 31.823 0.045 0.000 0.658 1523 V HN 0.474 nan 8.190 nan 0.000 0.455 1524 P HA -0.131 nan 4.420 nan 0.000 0.220 1524 P C 1.901 179.197 177.300 -0.006 0.000 1.148 1524 P CA 1.633 64.744 63.100 0.019 0.000 0.803 1524 P CB -0.028 31.691 31.700 0.032 0.000 0.782 1525 S N -0.440 115.242 115.700 -0.031 0.000 2.474 1525 S HA -0.049 4.422 4.470 0.000 0.000 0.235 1525 S C 1.845 176.416 174.600 -0.048 0.000 0.997 1525 S CA 0.510 58.681 58.200 -0.048 0.000 0.949 1525 S CB -0.657 62.506 63.200 -0.062 0.000 0.766 1525 S HN 0.075 nan 8.310 nan 0.000 0.517 1526 R N 0.068 120.539 120.500 -0.049 0.000 2.316 1526 R HA 0.088 4.428 4.340 0.000 0.000 0.202 1526 R C 0.258 176.541 176.300 -0.029 0.000 1.029 1526 R CA 0.622 56.681 56.100 -0.068 0.000 1.018 1526 R CB 0.175 30.411 30.300 -0.106 0.000 0.888 1526 R HN 0.286 nan 8.270 nan 0.000 0.471 1527 V N -0.511 119.401 119.914 -0.004 0.000 2.841 1527 V HA 0.233 4.354 4.120 0.000 0.000 0.363 1527 V C 1.110 177.200 176.094 -0.007 0.000 1.330 1527 V CA 0.011 62.319 62.300 0.013 0.000 1.207 1527 V CB 0.671 32.523 31.823 0.049 0.000 1.318 1527 V HN 0.174 nan 8.190 nan 0.000 0.603 1528 A N 1.278 124.086 122.820 -0.021 0.000 1.948 1528 A HA -0.173 4.147 4.320 0.000 0.000 0.220 1528 A C 2.330 179.902 177.584 -0.020 0.000 1.177 1528 A CA 2.445 54.465 52.037 -0.028 0.000 0.636 1528 A CB -0.255 18.721 19.000 -0.039 0.000 0.815 1528 A HN 0.850 nan 8.150 nan 0.000 0.449 1529 A N -1.080 121.729 122.820 -0.019 0.000 2.015 1529 A HA -0.094 4.226 4.320 0.000 0.000 0.219 1529 A C 1.743 179.319 177.584 -0.013 0.000 1.163 1529 A CA 1.809 53.837 52.037 -0.015 0.000 0.646 1529 A CB -0.291 18.699 19.000 -0.017 0.000 0.806 1529 A HN 0.460 nan 8.150 nan 0.000 0.448 1530 D N -0.843 119.545 120.400 -0.019 0.000 2.323 1530 D HA 0.206 4.846 4.640 0.000 0.000 0.218 1530 D C 2.236 178.537 176.300 0.001 0.000 0.973 1530 D CA 1.077 55.063 54.000 -0.023 0.000 0.890 1530 D CB -0.207 40.559 40.800 -0.056 0.000 1.011 1530 D HN 0.319 nan 8.370 nan 0.000 0.499 1531 A N 0.559 123.384 122.820 0.009 0.000 1.933 1531 A HA -0.138 4.182 4.320 0.000 0.000 0.218 1531 A C 2.355 179.984 177.584 0.074 0.000 1.175 1531 A CA 1.761 53.823 52.037 0.042 0.000 0.628 1531 A CB -0.471 18.547 19.000 0.030 0.000 0.814 1531 A HN 0.141 nan 8.150 nan 0.000 0.444 1532 S N 0.317 116.039 115.700 0.036 0.000 2.348 1532 S HA -0.073 4.397 4.470 0.000 0.000 0.221 1532 S C -0.229 174.427 174.600 0.094 0.000 1.033 1532 S CA 1.677 59.906 58.200 0.048 0.000 1.010 1532 S CB -1.202 62.001 63.200 0.006 0.000 0.891 1532 S HN 0.449 nan 8.310 nan 0.000 0.442 1533 P HA -0.056 nan 4.420 nan 0.000 0.215 1533 P C 1.315 178.653 177.300 0.063 0.000 1.153 1533 P CA 0.944 64.079 63.100 0.059 0.000 0.853 1533 P CB -0.120 31.599 31.700 0.031 0.000 0.788 1534 L N -2.876 118.382 121.223 0.058 0.000 2.093 1534 L HA -0.142 4.198 4.340 0.000 0.000 0.208 1534 L C 2.389 179.281 176.870 0.036 0.000 1.085 1534 L CA 1.243 56.103 54.840 0.035 0.000 0.755 1534 L CB -0.819 41.255 42.059 0.026 0.000 0.904 1534 L HN -0.071 nan 8.230 nan 0.000 0.435 1535 F N 0.737 120.656 119.950 -0.052 0.000 2.134 1535 F HA -0.216 4.311 4.527 0.000 0.000 0.299 1535 F C 2.490 178.210 175.800 -0.133 0.000 1.097 1535 F CA 1.320 59.270 58.000 -0.083 0.000 1.264 1535 F CB -0.077 38.886 39.000 -0.062 0.000 1.001 1535 F HN -0.003 nan 8.300 nan 0.000 0.479 1536 A N -0.449 122.470 122.820 0.165 0.000 1.972 1536 A HA -0.199 4.121 4.320 0.000 0.000 0.219 1536 A C 2.047 179.607 177.584 -0.040 0.000 1.169 1536 A CA 1.725 53.808 52.037 0.078 0.000 0.635 1536 A CB -0.580 18.529 19.000 0.181 0.000 0.810 1536 A HN 0.307 nan 8.150 nan 0.000 0.446 1537 K N 0.475 120.861 120.400 -0.023 0.000 2.097 1537 K HA -0.049 4.271 4.320 0.000 0.000 0.205 1537 K C 1.771 178.307 176.600 -0.108 0.000 1.050 1537 K CA 1.387 57.654 56.287 -0.034 0.000 0.938 1537 K CB -0.240 32.250 32.500 -0.016 0.000 0.718 1537 K HN 0.474 nan 8.250 nan 0.000 0.442 1538 N N 0.403 118.983 118.700 -0.200 0.000 2.084 1538 N HA -0.140 4.601 4.740 0.000 0.000 0.190 1538 N C 1.723 177.056 175.510 -0.296 0.000 1.030 1538 N CA 1.209 54.100 53.050 -0.265 0.000 0.849 1538 N CB -0.225 38.010 38.487 -0.420 0.000 1.012 1538 N HN 0.154 nan 8.380 nan 0.000 0.423 1539 L N 0.314 121.240 121.223 -0.494 0.000 2.017 1539 L HA -0.139 4.201 4.340 0.000 0.000 0.208 1539 L C 2.339 179.002 176.870 -0.344 0.000 1.073 1539 L CA 0.649 55.067 54.840 -0.703 0.000 0.745 1539 L CB -0.473 40.591 42.059 -1.657 0.000 0.894 1539 L HN 0.122 nan 8.230 nan 0.000 0.432 1540 L N 0.250 121.372 121.223 -0.169 0.000 2.046 1540 L HA -0.197 4.143 4.340 0.000 0.000 0.208 1540 L C 2.242 179.167 176.870 0.092 0.000 1.077 1540 L CA 1.785 56.731 54.840 0.177 0.000 0.747 1540 L CB -0.727 41.446 42.059 0.190 0.000 0.896 1540 L HN 0.251 nan 8.230 nan 0.000 0.432 1541 N N -0.969 117.749 118.700 0.029 0.000 2.244 1541 N HA -0.206 4.534 4.740 0.000 0.000 0.183 1541 N C 1.796 177.351 175.510 0.074 0.000 1.016 1541 N CA 1.591 54.660 53.050 0.032 0.000 0.866 1541 N CB -0.443 38.047 38.487 0.004 0.000 0.980 1541 N HN 0.535 nan 8.380 nan 0.000 0.430 1542 F N 0.932 120.837 119.950 -0.075 0.000 2.187 1542 F HA 0.045 4.572 4.527 0.000 0.000 0.295 1542 F C 2.132 177.969 175.800 0.063 0.000 1.091 1542 F CA 0.531 58.503 58.000 -0.047 0.000 1.308 1542 F CB 0.009 38.926 39.000 -0.139 0.000 1.030 1542 F HN -0.055 nan 8.300 nan 0.000 0.487 1543 L N -0.436 120.778 121.223 -0.016 0.000 2.095 1543 L HA -0.103 4.237 4.340 0.000 0.000 0.204 1543 L C 2.240 179.134 176.870 0.039 0.000 1.080 1543 L CA 1.603 56.440 54.840 -0.005 0.000 0.759 1543 L CB -0.772 41.432 42.059 0.242 0.000 0.914 1543 L HN 0.097 nan 8.230 nan 0.000 0.439 1544 T N 0.965 115.546 114.554 0.044 0.000 2.649 1544 T HA -0.172 4.178 4.350 0.000 0.000 0.268 1544 T C -0.523 174.138 174.700 -0.066 0.000 1.036 1544 T CA 2.179 64.295 62.100 0.027 0.000 1.157 1544 T CB -1.356 67.528 68.868 0.027 0.000 0.861 1544 T HN 0.342 nan 8.240 nan 0.000 0.445 1545 P HA -0.095 nan 4.420 nan 0.000 0.220 1545 P C 0.934 177.963 177.300 -0.452 0.000 1.144 1545 P CA 1.040 63.924 63.100 -0.359 0.000 0.800 1545 P CB -0.105 31.292 31.700 -0.504 0.000 0.772 1546 H N -2.234 116.783 119.070 -0.088 0.000 2.539 1546 H HA 0.188 4.744 4.556 0.000 0.000 0.269 1546 H C 0.236 175.550 175.328 -0.023 0.000 0.980 1546 H CA -0.028 55.974 56.048 -0.078 0.000 1.152 1546 H CB 0.074 29.747 29.762 -0.149 0.000 1.407 1546 H HN 0.002 nan 8.280 nan 0.000 0.564 1547 V N 2.285 122.238 119.914 0.065 0.000 2.455 1547 V HA -0.009 4.111 4.120 0.000 0.000 0.273 1547 V C 0.124 176.226 176.094 0.014 0.000 1.045 1547 V CA -0.316 62.026 62.300 0.070 0.000 0.976 1547 V CB 1.183 33.084 31.823 0.129 0.000 0.993 1547 V HN 0.148 nan 8.190 nan 0.000 0.475 1548 D N 3.588 123.984 120.400 -0.006 0.000 2.313 1548 D HA 0.248 4.889 4.640 0.000 0.000 0.239 1548 D C 0.946 177.224 176.300 -0.036 0.000 1.142 1548 D CA -0.337 53.652 54.000 -0.019 0.000 0.847 1548 D CB 1.476 42.266 40.800 -0.016 0.000 1.082 1548 D HN 0.469 nan 8.370 nan 0.000 0.480 1549 K N 2.438 122.822 120.400 -0.028 0.000 2.063 1549 K HA -0.187 4.133 4.320 0.000 0.000 0.208 1549 K C 0.993 177.571 176.600 -0.037 0.000 1.048 1549 K CA 2.022 58.289 56.287 -0.032 0.000 0.928 1549 K CB -0.015 32.473 32.500 -0.021 0.000 0.713 1549 K HN 0.557 nan 8.250 nan 0.000 0.442 1550 D N -1.860 118.522 120.400 -0.030 0.000 2.277 1550 D HA -0.094 4.546 4.640 0.000 0.000 0.208 1550 D C 1.310 177.590 176.300 -0.034 0.000 0.962 1550 D CA 1.385 55.368 54.000 -0.029 0.000 0.865 1550 D CB -0.294 40.493 40.800 -0.021 0.000 0.939 1550 D HN 0.365 nan 8.370 nan 0.000 0.510 1551 T N -3.875 110.655 114.554 -0.039 0.000 3.023 1551 T HA 0.152 4.502 4.350 0.000 0.000 0.253 1551 T C 0.846 175.505 174.700 -0.068 0.000 1.038 1551 T CA -0.304 61.770 62.100 -0.044 0.000 0.962 1551 T CB -0.158 68.691 68.868 -0.033 0.000 1.018 1551 T HN -0.031 nan 8.240 nan 0.000 0.521 1552 K N 1.713 122.062 120.400 -0.086 0.000 3.177 1552 K HA -0.141 4.180 4.320 0.000 0.000 0.266 1552 K C -0.765 175.729 176.600 -0.177 0.000 0.937 1552 K CA 0.834 57.036 56.287 -0.142 0.000 0.702 1552 K CB -2.203 30.217 32.500 -0.133 0.000 1.365 1552 K HN 0.616 nan 8.250 nan 0.000 0.466 1553 T N 0.102 114.575 114.554 -0.135 0.000 2.896 1553 T HA 0.519 4.869 4.350 0.000 0.000 0.297 1553 T C -1.307 173.355 174.700 -0.064 0.000 1.108 1553 T CA -0.792 61.240 62.100 -0.112 0.000 1.004 1553 T CB 1.296 70.129 68.868 -0.058 0.000 1.159 1553 T HN 0.188 nan 8.240 nan 0.000 0.499 1554 L N 3.141 124.353 121.223 -0.018 0.000 2.257 1554 L HA 0.648 4.988 4.340 0.000 0.000 0.290 1554 L C -1.091 175.810 176.870 0.052 0.000 1.044 1554 L CA -0.223 54.655 54.840 0.063 0.000 0.810 1554 L CB 0.468 42.616 42.059 0.148 0.000 1.193 1554 L HN 0.439 nan 8.230 nan 0.000 0.425 1555 V N 6.526 126.472 119.914 0.054 0.000 2.327 1555 V HA 0.304 4.424 4.120 0.000 0.000 0.272 1555 V C 0.079 176.187 176.094 0.024 0.000 1.019 1555 V CA -0.704 61.620 62.300 0.040 0.000 0.814 1555 V CB 1.105 32.950 31.823 0.037 0.000 1.040 1555 V HN 0.656 nan 8.190 nan 0.000 0.440 1556 M N 4.752 124.310 119.600 -0.070 0.000 2.435 1556 M HA 0.183 4.663 4.480 0.000 0.000 0.338 1556 M C 0.499 176.695 176.300 -0.173 0.000 1.628 1556 M CA 0.032 55.126 55.300 -0.344 0.000 1.215 1556 M CB -0.356 32.032 32.600 -0.353 0.000 1.905 1556 M HN 0.391 nan 8.290 nan 0.000 0.457 1557 K N 4.738 125.109 120.400 -0.048 0.000 2.405 1557 K HA -0.037 4.283 4.320 0.000 0.000 0.276 1557 K C 1.118 177.737 176.600 0.031 0.000 1.099 1557 K CA 0.124 56.455 56.287 0.074 0.000 1.120 1557 K CB 0.302 32.925 32.500 0.204 0.000 0.877 1557 K HN 0.694 nan 8.250 nan 0.000 0.472 1558 L N 2.239 123.487 121.223 0.041 0.000 2.191 1558 L HA -0.199 4.142 4.340 0.000 0.000 0.212 1558 L C 2.215 179.120 176.870 0.058 0.000 1.103 1558 L CA 1.195 56.066 54.840 0.052 0.000 0.769 1558 L CB -0.261 41.826 42.059 0.046 0.000 0.908 1558 L HN 0.627 nan 8.230 nan 0.000 0.438 1559 E N -0.397 119.837 120.200 0.056 0.000 2.502 1559 E HA -0.098 4.252 4.350 0.000 0.000 0.194 1559 E C 0.206 176.846 176.600 0.066 0.000 1.062 1559 E CA 0.109 56.541 56.400 0.053 0.000 0.867 1559 E CB -0.354 29.371 29.700 0.042 0.000 0.888 1559 E HN 0.285 nan 8.360 nan 0.000 0.510 1560 D N 2.158 122.612 120.400 0.090 0.000 2.343 1560 D HA -0.022 4.618 4.640 0.000 0.000 0.255 1560 D C 0.705 177.074 176.300 0.115 0.000 1.187 1560 D CA -0.041 54.028 54.000 0.116 0.000 0.875 1560 D CB 1.211 42.136 40.800 0.208 0.000 1.136 1560 D HN 0.110 nan 8.370 nan 0.000 0.469 1561 E N 1.808 122.067 120.200 0.098 0.000 2.171 1561 E HA -0.228 4.122 4.350 0.000 0.000 0.197 1561 E C 1.474 178.151 176.600 0.129 0.000 0.997 1561 E CA 1.651 58.108 56.400 0.094 0.000 0.810 1561 E CB 0.289 30.030 29.700 0.069 0.000 0.738 1561 E HN 0.678 nan 8.360 nan 0.000 0.467 1562 T N -2.510 112.148 114.554 0.174 0.000 2.951 1562 T HA -0.042 4.308 4.350 0.000 0.000 0.268 1562 T C 1.882 176.794 174.700 0.354 0.000 1.073 1562 T CA 0.947 63.198 62.100 0.251 0.000 1.134 1562 T CB -0.140 68.946 68.868 0.362 0.000 0.884 1562 T HN -0.013 nan 8.240 nan 0.000 0.479 1563 V N 2.749 122.831 119.914 0.280 0.000 2.255 1563 V HA -0.116 4.005 4.120 0.000 0.000 0.243 1563 V C 3.185 179.465 176.094 0.310 0.000 1.038 1563 V CA 1.949 64.417 62.300 0.279 0.000 1.008 1563 V CB -0.962 30.890 31.823 0.050 0.000 0.645 1563 V HN 0.727 nan 8.190 nan 0.000 0.449 1564 S N 1.037 116.855 115.700 0.198 0.000 2.419 1564 S HA -0.084 4.386 4.470 0.000 0.000 0.233 1564 S C 2.001 176.707 174.600 0.178 0.000 1.016 1564 S CA 1.296 59.592 58.200 0.160 0.000 0.974 1564 S CB -0.784 62.476 63.200 0.099 0.000 0.786 1564 S HN 0.571 nan 8.310 nan 0.000 0.492 1565 G N 1.647 110.553 108.800 0.176 0.000 2.448 1565 G HA2 -0.036 3.924 3.960 0.000 0.000 0.218 1565 G HA3 -0.036 3.924 3.960 0.000 0.000 0.218 1565 G C 1.567 176.589 174.900 0.204 0.000 1.135 1565 G CA 1.236 46.443 45.100 0.179 0.000 0.784 1565 G HN 0.705 nan 8.290 nan 0.000 0.543 1566 T N -3.522 111.134 114.554 0.171 0.000 3.015 1566 T HA 0.103 4.454 4.350 0.000 0.000 0.250 1566 T C 1.210 175.963 174.700 0.090 0.000 1.057 1566 T CA -0.028 62.115 62.100 0.073 0.000 1.066 1566 T CB -0.432 68.427 68.868 -0.015 0.000 0.959 1566 T HN 0.092 nan 8.240 nan 0.000 0.488 1567 C N 4.166 123.575 119.300 0.181 0.000 2.657 1567 C HA 0.485 4.946 4.460 0.000 0.000 0.404 1567 C C 2.101 177.063 174.990 -0.048 0.000 1.369 1567 C CA -0.253 58.706 59.018 -0.099 0.000 1.665 1567 C CB -1.041 26.641 27.740 -0.098 0.000 2.453 1567 C HN 0.514 nan 8.230 nan 0.000 0.599 1568 V N 3.541 123.369 119.914 -0.143 0.000 3.125 1568 V HA 0.295 4.415 4.120 0.000 0.000 0.249 1568 V C 0.877 176.946 176.094 -0.042 0.000 1.113 1568 V CA 1.186 63.439 62.300 -0.079 0.000 1.106 1568 V CB -0.549 31.188 31.823 -0.143 0.000 0.768 1568 V HN 0.844 nan 8.190 nan 0.000 0.468 1569 T N 0.639 115.134 114.554 -0.099 0.000 2.956 1569 T HA 0.599 4.950 4.350 0.000 0.000 0.312 1569 T C -1.227 173.410 174.700 -0.106 0.000 1.151 1569 T CA -0.640 61.417 62.100 -0.071 0.000 1.024 1569 T CB 2.024 70.862 68.868 -0.051 0.000 1.140 1569 T HN 0.626 nan 8.240 nan 0.000 0.473 1570 R N 3.230 123.691 120.500 -0.064 0.000 2.522 1570 R HA 0.425 4.765 4.340 0.000 0.000 0.283 1570 R C -1.164 175.122 176.300 -0.023 0.000 1.074 1570 R CA -0.260 55.805 56.100 -0.057 0.000 0.925 1570 R CB 0.833 31.102 30.300 -0.051 0.000 1.205 1570 R HN 0.820 nan 8.270 nan 0.000 0.436 1571 D N 3.281 123.672 120.400 -0.014 0.000 2.689 1571 D HA -0.166 4.474 4.640 0.000 0.000 0.237 1571 D C 0.713 177.011 176.300 -0.003 0.000 1.148 1571 D CA 2.114 56.112 54.000 -0.002 0.000 0.656 1571 D CB -0.831 39.971 40.800 0.003 0.000 1.050 1571 D HN 1.058 nan 8.370 nan 0.000 0.426 1572 G N -1.459 107.338 108.800 -0.005 0.000 2.153 1572 G HA2 0.001 3.962 3.960 0.000 0.000 0.252 1572 G HA3 0.001 3.962 3.960 0.000 0.000 0.252 1572 G C 0.271 175.169 174.900 -0.003 0.000 0.994 1572 G CA 0.281 45.379 45.100 -0.003 0.000 0.698 1572 G HN 1.358 nan 8.290 nan 0.000 0.521 1573 A N -0.066 122.750 122.820 -0.007 0.000 2.357 1573 A HA 0.749 5.069 4.320 0.000 0.000 0.295 1573 A C 0.154 177.734 177.584 -0.006 0.000 1.121 1573 A CA -0.653 51.382 52.037 -0.004 0.000 0.742 1573 A CB 0.937 19.936 19.000 -0.001 0.000 1.181 1573 A HN 0.684 nan 8.150 nan 0.000 0.454 1574 I N 3.220 123.790 120.570 -0.001 0.000 2.587 1574 I HA 0.061 4.231 4.170 0.000 0.000 0.284 1574 I C 1.209 177.336 176.117 0.016 0.000 1.134 1574 I CA 0.272 61.575 61.300 0.006 0.000 1.410 1574 I CB 1.040 39.048 38.000 0.013 0.000 1.392 1574 I HN 0.583 nan 8.210 nan 0.000 0.545 1575 V N 1.706 121.635 119.914 0.026 0.000 3.432 1575 V HA 0.216 4.336 4.120 0.000 0.000 0.298 1575 V C 0.365 176.490 176.094 0.053 0.000 1.464 1575 V CA -0.251 62.066 62.300 0.027 0.000 1.046 1575 V CB -0.616 31.215 31.823 0.013 0.000 0.887 1575 V HN 0.739 nan 8.190 nan 0.000 0.441 1576 H N 3.814 122.872 119.070 -0.021 0.000 2.562 1576 H HA 0.651 5.207 4.556 0.000 0.000 0.314 1576 H C -1.519 173.803 175.328 -0.009 0.000 1.079 1576 H CA -1.468 54.571 56.048 -0.015 0.000 1.349 1576 H CB 1.229 30.978 29.762 -0.021 0.000 1.432 1576 H HN 0.414 nan 8.280 nan 0.000 0.479 1577 P HA 0.000 nan 4.420 nan 0.000 0.216 1577 P CA 0.000 62.974 63.100 -0.210 0.000 0.800 1577 P CB 0.000 31.571 31.700 -0.216 0.000 0.726