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 1nty_1_A DATA FIRST_RESID 1231 DATA SEQUENCE ARRKEFIMAE LIQTEKAYVR DLRECMDTYL WEMTSGVEEI PPGIVNKELI DATA SEQUENCE IFGNMQEIYE FHNNIFLKEL EKYEQLPEDV GHCFVTWADK FQMYVTYCKN DATA SEQUENCE KPDSTQLILE HAGSYFDEIQ QRHGLANSIS SYLIKPVQRI TKYQLLLKEL DATA SEQUENCE LTCCEEGKGE IKDGLEVMLS VPKRANDAMH LSMLEGFDEN IESQGELILQ DATA SEQUENCE ESFQVWDPKT LIRKGRERHL FLFEMSLVFS KEVKDSSGRS KYLYKSKLFT DATA SEQUENCE SELGVTEHVE GDPCKFALWV GRTPTSDNKI VLKASSIENK QDWIKHIREV DATA SEQUENCE IQERT 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 1231 A HA 0.000 nan 4.320 nan 0.000 0.244 1231 A C 0.000 177.635 177.584 0.084 0.000 1.274 1231 A CA 0.000 52.071 52.037 0.056 0.000 0.836 1231 A CB 0.000 19.029 19.000 0.049 0.000 0.831 1232 R N 0.296 120.850 120.500 0.090 0.000 2.073 1232 R HA -0.079 4.261 4.340 0.000 0.000 0.229 1232 R C 2.143 178.573 176.300 0.217 0.000 1.120 1232 R CA 1.842 58.036 56.100 0.156 0.000 0.967 1232 R CB -0.152 30.221 30.300 0.122 0.000 0.862 1232 R HN 0.293 nan 8.270 nan 0.000 0.436 1233 R N 1.317 121.870 120.500 0.087 0.000 2.092 1233 R HA -0.026 4.314 4.340 0.000 0.000 0.231 1233 R C 1.755 178.134 176.300 0.131 0.000 1.119 1233 R CA 1.749 57.875 56.100 0.044 0.000 0.970 1233 R CB -0.171 30.113 30.300 -0.026 0.000 0.864 1233 R HN 0.193 nan 8.270 nan 0.000 0.440 1234 K N 0.293 120.758 120.400 0.109 0.000 2.097 1234 K HA -0.145 4.175 4.320 0.000 0.000 0.206 1234 K C 1.999 178.681 176.600 0.137 0.000 1.049 1234 K CA 1.885 58.236 56.287 0.106 0.000 0.933 1234 K CB -0.088 32.462 32.500 0.082 0.000 0.717 1234 K HN 0.378 nan 8.250 nan 0.000 0.442 1235 E N 0.045 120.341 120.200 0.160 0.000 2.106 1235 E HA -0.142 4.208 4.350 0.000 0.000 0.192 1235 E C 1.860 178.541 176.600 0.134 0.000 0.984 1235 E CA 0.984 57.461 56.400 0.128 0.000 0.806 1235 E CB -0.136 29.624 29.700 0.100 0.000 0.750 1235 E HN 0.240 nan 8.360 nan 0.000 0.458 1236 F N 0.936 120.903 119.950 0.029 0.000 2.134 1236 F HA -0.186 4.342 4.527 0.001 0.000 0.299 1236 F C 2.210 178.030 175.800 0.034 0.000 1.097 1236 F CA 0.953 58.970 58.000 0.028 0.000 1.264 1236 F CB -0.094 38.919 39.000 0.022 0.000 1.001 1236 F HN -0.025 nan 8.300 nan 0.000 0.479 1237 I N -0.989 119.724 120.570 0.237 0.000 2.179 1237 I HA -0.333 3.837 4.170 0.000 0.000 0.242 1237 I C 2.388 178.581 176.117 0.125 0.000 1.088 1237 I CA 1.197 62.589 61.300 0.152 0.000 1.357 1237 I CB -0.373 37.697 38.000 0.116 0.000 1.051 1237 I HN 0.165 nan 8.210 nan 0.000 0.409 1238 M N 1.070 120.740 119.600 0.116 0.000 2.117 1238 M HA -0.129 4.351 4.480 0.000 0.000 0.262 1238 M C 2.257 178.607 176.300 0.082 0.000 1.065 1238 M CA 2.059 57.423 55.300 0.106 0.000 1.114 1238 M CB -0.540 32.120 32.600 0.100 0.000 1.361 1238 M HN 0.232 nan 8.290 nan 0.000 0.408 1239 A N -0.819 122.031 122.820 0.051 0.000 1.933 1239 A HA -0.220 4.100 4.320 0.000 0.000 0.218 1239 A C 2.142 179.747 177.584 0.034 0.000 1.175 1239 A CA 2.016 54.061 52.037 0.013 0.000 0.628 1239 A CB -0.925 18.038 19.000 -0.062 0.000 0.814 1239 A HN 0.680 nan 8.150 nan 0.000 0.444 1240 E N -0.650 119.587 120.200 0.060 0.000 2.106 1240 E HA -0.165 4.185 4.350 0.000 0.000 0.192 1240 E C 1.895 178.547 176.600 0.087 0.000 0.984 1240 E CA 1.083 57.526 56.400 0.070 0.000 0.806 1240 E CB -0.170 29.583 29.700 0.089 0.000 0.750 1240 E HN 0.437 nan 8.360 nan 0.000 0.458 1241 L N 1.169 122.462 121.223 0.116 0.000 2.012 1241 L HA -0.176 4.164 4.340 0.000 0.000 0.210 1241 L C 2.063 179.026 176.870 0.155 0.000 1.073 1241 L CA 1.720 56.662 54.840 0.170 0.000 0.748 1241 L CB -0.434 41.753 42.059 0.213 0.000 0.891 1241 L HN 0.236 nan 8.230 nan 0.000 0.431 1242 I N -0.972 119.664 120.570 0.109 0.000 2.252 1242 I HA -0.288 3.882 4.170 0.000 0.000 0.245 1242 I C 2.610 178.771 176.117 0.073 0.000 1.102 1242 I CA 1.501 62.850 61.300 0.082 0.000 1.385 1242 I CB -0.316 37.714 38.000 0.049 0.000 1.064 1242 I HN 0.473 nan 8.210 nan 0.000 0.414 1243 Q N 0.642 120.478 119.800 0.059 0.000 2.084 1243 Q HA -0.227 4.113 4.340 0.000 0.000 0.202 1243 Q C 2.174 178.214 176.000 0.067 0.000 0.978 1243 Q CA 2.551 58.385 55.803 0.051 0.000 0.844 1243 Q CB -0.052 28.706 28.738 0.034 0.000 0.898 1243 Q HN 0.613 nan 8.270 nan 0.000 0.426 1244 T N -2.233 112.364 114.554 0.072 0.000 2.995 1244 T HA -0.119 4.231 4.350 0.000 0.000 0.269 1244 T C 1.520 176.284 174.700 0.107 0.000 1.091 1244 T CA 1.173 63.314 62.100 0.069 0.000 1.128 1244 T CB -0.090 68.796 68.868 0.029 0.000 0.891 1244 T HN 0.303 nan 8.240 nan 0.000 0.492 1245 E N 1.738 122.021 120.200 0.139 0.000 2.072 1245 E HA -0.049 4.301 4.350 0.000 0.000 0.191 1245 E C 2.195 178.911 176.600 0.194 0.000 0.985 1245 E CA 1.198 57.726 56.400 0.214 0.000 0.801 1245 E CB -0.205 29.633 29.700 0.231 0.000 0.750 1245 E HN 0.562 nan 8.360 nan 0.000 0.452 1246 K N -0.047 120.428 120.400 0.125 0.000 2.063 1246 K HA -0.102 4.218 4.320 0.000 0.000 0.208 1246 K C 2.164 178.829 176.600 0.108 0.000 1.048 1246 K CA 1.224 57.569 56.287 0.095 0.000 0.928 1246 K CB -0.228 32.308 32.500 0.061 0.000 0.713 1246 K HN 0.193 nan 8.250 nan 0.000 0.442 1247 A N 0.653 123.543 122.820 0.118 0.000 1.930 1247 A HA -0.195 4.125 4.320 0.000 0.000 0.217 1247 A C 2.058 179.745 177.584 0.172 0.000 1.175 1247 A CA 1.220 53.330 52.037 0.122 0.000 0.627 1247 A CB -0.667 18.398 19.000 0.107 0.000 0.815 1247 A HN 0.411 nan 8.150 nan 0.000 0.443 1248 Y N 0.676 121.000 120.300 0.039 0.000 2.145 1248 Y HA -0.161 4.389 4.550 0.001 0.000 0.286 1248 Y C 2.347 178.278 175.900 0.052 0.000 1.145 1248 Y CA 1.772 59.887 58.100 0.026 0.000 1.148 1248 Y CB -0.556 37.883 38.460 -0.036 0.000 0.981 1248 Y HN 0.053 nan 8.280 nan 0.000 0.507 1249 V N 1.080 121.006 119.914 0.020 0.000 2.332 1249 V HA -0.325 3.796 4.120 0.000 0.000 0.248 1249 V C 2.582 178.716 176.094 0.068 0.000 1.055 1249 V CA 2.351 64.647 62.300 -0.007 0.000 1.038 1249 V CB -0.764 31.089 31.823 0.049 0.000 0.651 1249 V HN 0.373 nan 8.190 nan 0.000 0.450 1250 R N 0.014 120.552 120.500 0.064 0.000 2.081 1250 R HA -0.187 4.153 4.340 0.000 0.000 0.235 1250 R C 2.055 178.362 176.300 0.012 0.000 1.131 1250 R CA 2.084 58.213 56.100 0.049 0.000 0.960 1250 R CB -0.362 29.973 30.300 0.058 0.000 0.856 1250 R HN 0.506 nan 8.270 nan 0.000 0.436 1251 D N 0.545 120.974 120.400 0.048 0.000 2.117 1251 D HA -0.157 4.484 4.640 0.000 0.000 0.197 1251 D C 1.996 178.207 176.300 -0.149 0.000 0.987 1251 D CA 1.156 55.218 54.000 0.104 0.000 0.829 1251 D CB -0.142 40.822 40.800 0.272 0.000 0.961 1251 D HN 0.295 nan 8.370 nan 0.000 0.460 1252 L N 0.292 121.391 121.223 -0.206 0.000 2.046 1252 L HA -0.160 4.181 4.340 0.000 0.000 0.208 1252 L C 2.579 179.206 176.870 -0.405 0.000 1.077 1252 L CA 0.820 55.484 54.840 -0.293 0.000 0.747 1252 L CB -0.319 41.583 42.059 -0.261 0.000 0.896 1252 L HN -0.028 nan 8.230 nan 0.000 0.432 1253 R N 0.884 121.142 120.500 -0.403 0.000 2.083 1253 R HA -0.239 4.101 4.340 0.000 0.000 0.237 1253 R C 2.146 178.221 176.300 -0.375 0.000 1.137 1253 R CA 1.907 57.692 56.100 -0.525 0.000 0.951 1253 R CB -0.361 29.765 30.300 -0.290 0.000 0.851 1253 R HN 0.264 nan 8.270 nan 0.000 0.434 1254 E N -0.510 119.513 120.200 -0.295 0.000 2.110 1254 E HA -0.165 4.185 4.350 0.000 0.000 0.193 1254 E C 1.984 178.339 176.600 -0.409 0.000 0.988 1254 E CA 1.516 57.756 56.400 -0.268 0.000 0.804 1254 E CB -0.697 28.942 29.700 -0.102 0.000 0.745 1254 E HN 0.423 nan 8.360 nan 0.000 0.458 1255 C N 0.039 118.906 119.300 -0.723 0.000 2.429 1255 C HA -0.087 4.374 4.460 0.000 0.000 0.277 1255 C C 2.543 177.397 174.990 -0.228 0.000 1.262 1255 C CA 1.239 59.868 59.018 -0.649 0.000 1.733 1255 C CB -0.972 26.324 27.740 -0.740 0.000 2.010 1255 C HN 0.551 nan 8.230 nan 0.000 0.483 1256 M N 0.178 119.598 119.600 -0.300 0.000 2.254 1256 M HA -0.076 4.404 4.480 0.000 0.000 0.265 1256 M C 1.376 177.567 176.300 -0.182 0.000 1.066 1256 M CA 1.502 56.634 55.300 -0.279 0.000 1.123 1256 M CB -0.557 31.845 32.600 -0.331 0.000 1.388 1256 M HN 0.342 nan 8.290 nan 0.000 0.425 1257 D N -0.052 120.221 120.400 -0.211 0.000 2.347 1257 D HA -0.051 4.589 4.640 0.000 0.000 0.215 1257 D C 1.823 178.000 176.300 -0.204 0.000 0.976 1257 D CA 1.405 55.287 54.000 -0.197 0.000 0.884 1257 D CB 0.105 40.753 40.800 -0.254 0.000 0.915 1257 D HN 0.477 nan 8.370 nan 0.000 0.526 1258 T N -2.675 111.775 114.554 -0.175 0.000 3.478 1258 T HA -0.009 4.342 4.350 0.000 0.000 0.223 1258 T C 1.856 176.537 174.700 -0.032 0.000 0.958 1258 T CA -0.160 61.798 62.100 -0.236 0.000 1.324 1258 T CB -0.683 67.932 68.868 -0.421 0.000 1.262 1258 T HN -0.114 nan 8.240 nan 0.000 0.379 1259 Y N 1.718 122.132 120.300 0.189 0.000 2.145 1259 Y HA 0.138 4.689 4.550 0.000 0.000 0.286 1259 Y C 2.531 178.651 175.900 0.366 0.000 1.145 1259 Y CA 0.832 59.173 58.100 0.402 0.000 1.148 1259 Y CB -0.796 37.978 38.460 0.523 0.000 0.981 1259 Y HN 0.199 nan 8.280 nan 0.000 0.507 1260 L N -0.983 120.283 121.223 0.070 0.000 2.027 1260 L HA -0.162 4.178 4.340 0.000 0.000 0.206 1260 L C 2.151 178.990 176.870 -0.052 0.000 1.074 1260 L CA 1.562 56.142 54.840 -0.434 0.000 0.745 1260 L CB -1.052 40.462 42.059 -0.908 0.000 0.898 1260 L HN 0.399 nan 8.230 nan 0.000 0.433 1261 W N 0.702 121.920 121.300 -0.137 0.000 2.335 1261 W HA -0.211 4.448 4.660 -0.000 0.000 0.311 1261 W C 2.369 178.887 176.519 -0.001 0.000 1.213 1261 W CA 1.869 59.161 57.345 -0.088 0.000 1.274 1261 W CB 0.050 29.437 29.460 -0.122 0.000 1.148 1261 W HN 0.145 nan 8.180 nan 0.000 0.498 1262 E N -0.102 120.321 120.200 0.372 0.000 2.085 1262 E HA -0.261 4.090 4.350 0.000 0.000 0.194 1262 E C 2.148 178.836 176.600 0.145 0.000 0.994 1262 E CA 1.867 58.437 56.400 0.282 0.000 0.801 1262 E CB -0.844 29.068 29.700 0.353 0.000 0.743 1262 E HN 0.461 nan 8.360 nan 0.000 0.453 1263 M N -0.053 119.689 119.600 0.237 0.000 2.254 1263 M HA -0.109 4.372 4.480 0.000 0.000 0.265 1263 M C 2.215 178.514 176.300 -0.003 0.000 1.066 1263 M CA 1.817 57.242 55.300 0.207 0.000 1.123 1263 M CB -0.190 32.620 32.600 0.351 0.000 1.388 1263 M HN 0.131 nan 8.290 nan 0.000 0.425 1264 T N -4.250 110.225 114.554 -0.132 0.000 3.037 1264 T HA 0.136 4.486 4.350 0.000 0.000 0.252 1264 T C 1.205 175.684 174.700 -0.367 0.000 1.073 1264 T CA 0.740 62.713 62.100 -0.211 0.000 1.091 1264 T CB 0.118 68.865 68.868 -0.202 0.000 0.935 1264 T HN 0.197 nan 8.240 nan 0.000 0.488 1265 S N 0.145 115.442 115.700 -0.670 0.000 2.893 1265 S HA 0.470 4.940 4.470 0.000 0.000 0.258 1265 S C 0.839 174.890 174.600 -0.914 0.000 1.034 1265 S CA -0.494 57.178 58.200 -0.880 0.000 1.167 1265 S CB 0.806 63.192 63.200 -1.356 0.000 1.137 1265 S HN 0.751 nan 8.310 nan 0.000 0.650 1266 G N 1.253 109.712 108.800 -0.569 0.000 2.504 1266 G HA2 0.461 4.422 3.960 0.000 0.000 0.288 1266 G HA3 0.461 4.422 3.960 0.000 0.000 0.288 1266 G C 0.502 175.377 174.900 -0.042 0.000 1.182 1266 G CA -0.405 44.584 45.100 -0.186 0.000 0.894 1266 G HN 0.519 nan 8.290 nan 0.000 0.521 1267 V N -1.911 118.038 119.914 0.059 0.000 3.099 1267 V HA 0.338 4.459 4.120 0.000 0.000 0.356 1267 V C -0.154 175.985 176.094 0.076 0.000 1.364 1267 V CA -0.568 61.763 62.300 0.052 0.000 1.229 1267 V CB -0.511 31.347 31.823 0.060 0.000 1.227 1267 V HN 0.390 nan 8.190 nan 0.000 0.493 1268 E N 1.005 121.276 120.200 0.117 0.000 2.250 1268 E HA 0.429 4.779 4.350 0.000 0.000 0.269 1268 E C -0.332 176.357 176.600 0.148 0.000 1.018 1268 E CA -0.554 55.935 56.400 0.149 0.000 0.873 1268 E CB 1.345 31.168 29.700 0.206 0.000 1.134 1268 E HN 0.568 nan 8.360 nan 0.000 0.403 1269 E N 1.380 121.652 120.200 0.120 0.000 2.328 1269 E HA 0.113 4.463 4.350 0.000 0.000 0.265 1269 E C -0.194 176.405 176.600 -0.001 0.000 1.057 1269 E CA 0.151 56.580 56.400 0.050 0.000 0.916 1269 E CB 0.358 30.078 29.700 0.033 0.000 0.993 1269 E HN 0.261 nan 8.360 nan 0.000 0.446 1270 I N 6.176 126.656 120.570 -0.150 0.000 2.297 1270 I HA 0.163 4.333 4.170 0.000 0.000 0.291 1270 I C -2.089 173.837 176.117 -0.319 0.000 1.033 1270 I CA -2.389 58.643 61.300 -0.447 0.000 1.253 1270 I CB 0.759 38.529 38.000 -0.385 0.000 1.396 1270 I HN 0.187 nan 8.210 nan 0.000 0.476 1271 P HA -0.017 nan 4.420 nan 0.000 0.258 1271 P C -1.963 175.227 177.300 -0.182 0.000 1.172 1271 P CA -0.621 62.363 63.100 -0.193 0.000 0.762 1271 P CB 0.050 31.658 31.700 -0.154 0.000 0.764 1272 P HA -0.241 nan 4.420 nan 0.000 0.218 1272 P C 1.488 178.685 177.300 -0.172 0.000 1.150 1272 P CA 2.001 65.014 63.100 -0.145 0.000 0.841 1272 P CB -0.263 31.357 31.700 -0.132 0.000 0.784 1273 G N -0.560 108.093 108.800 -0.245 0.000 2.559 1273 G HA2 -0.149 3.812 3.960 0.000 0.000 0.216 1273 G HA3 -0.149 3.812 3.960 0.000 0.000 0.216 1273 G C 1.192 176.109 174.900 0.029 0.000 1.126 1273 G CA 0.642 45.538 45.100 -0.340 0.000 0.778 1273 G HN 0.474 nan 8.290 nan 0.000 0.543 1274 I N -2.702 117.853 120.570 -0.025 0.000 4.338 1274 I HA 0.424 4.594 4.170 0.000 0.000 0.329 1274 I C 0.460 176.555 176.117 -0.038 0.000 1.378 1274 I CA -0.598 60.708 61.300 0.011 0.000 1.170 1274 I CB 0.525 38.534 38.000 0.016 0.000 1.206 1274 I HN -0.156 nan 8.210 nan 0.000 0.432 1275 V N 5.358 125.222 119.914 -0.084 0.000 2.752 1275 V HA -0.119 4.001 4.120 0.000 0.000 0.306 1275 V C 0.922 176.999 176.094 -0.028 0.000 1.099 1275 V CA 1.225 63.477 62.300 -0.081 0.000 1.240 1275 V CB -0.569 31.205 31.823 -0.082 0.000 0.887 1275 V HN 1.059 nan 8.190 nan 0.000 0.499 1276 N N 2.958 121.648 118.700 -0.017 0.000 2.677 1276 N HA -0.268 4.472 4.740 0.000 0.000 0.249 1276 N C 0.165 175.697 175.510 0.036 0.000 1.073 1276 N CA 1.882 54.937 53.050 0.009 0.000 0.737 1276 N CB -1.500 36.983 38.487 -0.008 0.000 0.999 1276 N HN 0.873 nan 8.380 nan 0.000 0.543 1277 K N -0.082 120.355 120.400 0.062 0.000 2.699 1277 K HA 0.040 4.360 4.320 0.000 0.000 0.210 1277 K C 1.083 177.765 176.600 0.136 0.000 1.076 1277 K CA 0.053 56.387 56.287 0.079 0.000 1.109 1277 K CB 0.325 32.865 32.500 0.067 0.000 0.862 1277 K HN 0.454 nan 8.250 nan 0.000 0.470 1278 E N 0.643 120.956 120.200 0.187 0.000 2.160 1278 E HA -0.214 4.137 4.350 0.000 0.000 0.195 1278 E C 1.592 178.385 176.600 0.321 0.000 0.991 1278 E CA 0.969 57.578 56.400 0.347 0.000 0.810 1278 E CB -0.214 29.658 29.700 0.286 0.000 0.742 1278 E HN 0.175 nan 8.360 nan 0.000 0.466 1279 L N 0.991 122.318 121.223 0.173 0.000 2.131 1279 L HA -0.074 4.266 4.340 0.000 0.000 0.210 1279 L C 2.445 179.376 176.870 0.101 0.000 1.092 1279 L CA 1.279 56.199 54.840 0.132 0.000 0.759 1279 L CB -0.266 41.839 42.059 0.077 0.000 0.903 1279 L HN 0.135 nan 8.230 nan 0.000 0.435 1280 I N -1.773 118.841 120.570 0.074 0.000 2.400 1280 I HA -0.236 3.935 4.170 0.000 0.000 0.248 1280 I C 2.220 178.314 176.117 -0.039 0.000 1.109 1280 I CA 0.867 62.173 61.300 0.012 0.000 1.425 1280 I CB -0.098 37.907 38.000 0.008 0.000 1.094 1280 I HN 0.126 nan 8.210 nan 0.000 0.425 1281 I N 0.173 120.728 120.570 -0.024 0.000 2.202 1281 I HA -0.270 3.901 4.170 0.000 0.000 0.242 1281 I C 1.771 177.654 176.117 -0.389 0.000 1.091 1281 I CA 1.817 62.975 61.300 -0.237 0.000 1.368 1281 I CB -0.166 37.656 38.000 -0.297 0.000 1.058 1281 I HN 0.086 nan 8.210 nan 0.000 0.410 1282 F N 0.580 120.529 119.950 -0.003 0.000 2.765 1282 F HA 0.313 4.841 4.527 0.001 0.000 0.302 1282 F C 1.731 177.580 175.800 0.081 0.000 1.111 1282 F CA 0.372 58.399 58.000 0.045 0.000 1.359 1282 F CB -0.618 38.419 39.000 0.063 0.000 1.097 1282 F HN 0.139 nan 8.300 nan 0.000 0.577 1283 G N 2.024 110.886 108.800 0.104 0.000 2.594 1283 G HA2 -0.412 3.548 3.960 0.000 0.000 0.297 1283 G HA3 -0.412 3.548 3.960 0.000 0.000 0.297 1283 G C 0.518 175.532 174.900 0.190 0.000 1.273 1283 G CA 0.455 45.582 45.100 0.046 0.000 0.974 1283 G HN 0.454 nan 8.290 nan 0.000 0.552 1284 N N 0.640 119.492 118.700 0.253 0.000 2.558 1284 N HA 0.210 4.950 4.740 0.000 0.000 0.281 1284 N C 1.614 177.240 175.510 0.195 0.000 1.219 1284 N CA 0.672 53.838 53.050 0.193 0.000 0.942 1284 N CB 0.297 38.863 38.487 0.131 0.000 1.241 1284 N HN 0.758 nan 8.380 nan 0.000 0.511 1285 M N -0.096 119.663 119.600 0.265 0.000 2.144 1285 M HA -0.283 4.197 4.480 0.000 0.000 0.260 1285 M C 2.019 178.364 176.300 0.074 0.000 1.067 1285 M CA 1.820 57.197 55.300 0.130 0.000 1.095 1285 M CB 0.091 32.816 32.600 0.208 0.000 1.365 1285 M HN 0.278 nan 8.290 nan 0.000 0.406 1286 Q N 0.855 120.702 119.800 0.080 0.000 2.061 1286 Q HA -0.258 4.083 4.340 0.000 0.000 0.204 1286 Q C 1.754 177.828 176.000 0.123 0.000 0.984 1286 Q CA 2.513 58.364 55.803 0.081 0.000 0.846 1286 Q CB -0.397 28.367 28.738 0.044 0.000 0.902 1286 Q HN 0.718 nan 8.270 nan 0.000 0.421 1287 E N -0.565 119.685 120.200 0.083 0.000 2.077 1287 E HA -0.181 4.169 4.350 0.000 0.000 0.193 1287 E C 1.923 178.567 176.600 0.073 0.000 0.989 1287 E CA 1.351 57.789 56.400 0.063 0.000 0.800 1287 E CB -0.203 29.518 29.700 0.035 0.000 0.746 1287 E HN 0.543 nan 8.360 nan 0.000 0.452 1288 I N 0.258 120.860 120.570 0.053 0.000 2.252 1288 I HA -0.254 3.916 4.170 0.000 0.000 0.245 1288 I C 2.396 178.654 176.117 0.235 0.000 1.102 1288 I CA 1.123 62.479 61.300 0.093 0.000 1.385 1288 I CB -0.411 37.507 38.000 -0.137 0.000 1.064 1288 I HN 0.254 nan 8.210 nan 0.000 0.414 1289 Y N 2.096 122.404 120.300 0.014 0.000 2.128 1289 Y HA -0.300 4.250 4.550 0.000 0.000 0.284 1289 Y C 2.394 178.310 175.900 0.026 0.000 1.154 1289 Y CA 1.848 59.935 58.100 -0.022 0.000 1.149 1289 Y CB -0.369 38.039 38.460 -0.086 0.000 0.976 1289 Y HN 0.171 nan 8.280 nan 0.000 0.505 1290 E N -0.708 119.466 120.200 -0.042 0.000 2.118 1290 E HA -0.226 4.125 4.350 0.000 0.000 0.195 1290 E C 1.974 178.498 176.600 -0.127 0.000 0.992 1290 E CA 1.312 57.627 56.400 -0.142 0.000 0.804 1290 E CB -0.503 29.206 29.700 0.015 0.000 0.741 1290 E HN 0.547 nan 8.360 nan 0.000 0.458 1291 F N 1.554 121.386 119.950 -0.197 0.000 2.075 1291 F HA -0.213 4.314 4.527 0.000 0.000 0.297 1291 F C 2.144 177.733 175.800 -0.352 0.000 1.113 1291 F CA 1.753 59.571 58.000 -0.303 0.000 1.218 1291 F CB -0.400 38.380 39.000 -0.368 0.000 0.984 1291 F HN 0.064 nan 8.300 nan 0.000 0.472 1292 H N -0.857 117.945 119.070 -0.448 0.000 2.389 1292 H HA -0.104 4.452 4.556 0.000 0.000 0.299 1292 H C 1.858 176.957 175.328 -0.382 0.000 1.081 1292 H CA 1.547 57.330 56.048 -0.442 0.000 1.345 1292 H CB -0.581 29.128 29.762 -0.089 0.000 1.393 1292 H HN 0.298 nan 8.280 nan 0.000 0.520 1293 N N 0.806 119.285 118.700 -0.368 0.000 2.270 1293 N HA -0.096 4.644 4.740 0.000 0.000 0.181 1293 N C 1.308 176.639 175.510 -0.298 0.000 1.016 1293 N CA 1.050 53.855 53.050 -0.408 0.000 0.870 1293 N CB 0.016 38.022 38.487 -0.802 0.000 0.979 1293 N HN 0.368 nan 8.380 nan 0.000 0.431 1294 N N -1.396 117.127 118.700 -0.294 0.000 2.402 1294 N HA 0.207 4.947 4.740 0.000 0.000 0.174 1294 N C 0.945 176.308 175.510 -0.245 0.000 1.027 1294 N CA 0.557 53.479 53.050 -0.213 0.000 0.891 1294 N CB 0.798 39.194 38.487 -0.152 0.000 1.016 1294 N HN 0.205 nan 8.380 nan 0.000 0.439 1295 I N -1.371 118.973 120.570 -0.376 0.000 3.650 1295 I HA 0.032 4.203 4.170 0.000 0.000 0.261 1295 I C 1.109 176.865 176.117 -0.601 0.000 1.154 1295 I CA -0.032 60.967 61.300 -0.502 0.000 1.418 1295 I CB 0.001 37.613 38.000 -0.647 0.000 1.539 1295 I HN -0.089 nan 8.210 nan 0.000 0.449 1296 F N 1.849 121.159 119.950 -1.067 0.000 2.134 1296 F HA -0.200 4.328 4.527 0.000 0.000 0.299 1296 F C 2.284 177.834 175.800 -0.417 0.000 1.097 1296 F CA 1.532 58.984 58.000 -0.913 0.000 1.264 1296 F CB -0.212 37.988 39.000 -1.334 0.000 1.001 1296 F HN -0.030 nan 8.300 nan 0.000 0.479 1297 L N 0.638 121.711 121.223 -0.249 0.000 2.046 1297 L HA -0.209 4.131 4.340 0.000 0.000 0.208 1297 L C 2.182 178.927 176.870 -0.208 0.000 1.077 1297 L CA 1.929 56.671 54.840 -0.163 0.000 0.747 1297 L CB -0.880 41.143 42.059 -0.061 0.000 0.896 1297 L HN 0.016 nan 8.230 nan 0.000 0.432 1298 K N -0.690 119.582 120.400 -0.213 0.000 2.097 1298 K HA -0.144 4.177 4.320 0.000 0.000 0.206 1298 K C 2.001 178.506 176.600 -0.159 0.000 1.049 1298 K CA 1.340 57.532 56.287 -0.159 0.000 0.933 1298 K CB -0.143 32.273 32.500 -0.140 0.000 0.717 1298 K HN 0.364 nan 8.250 nan 0.000 0.442 1299 E N 1.032 121.079 120.200 -0.255 0.000 2.072 1299 E HA -0.139 4.211 4.350 0.000 0.000 0.191 1299 E C 2.132 178.655 176.600 -0.129 0.000 0.985 1299 E CA 0.936 57.237 56.400 -0.164 0.000 0.801 1299 E CB -0.177 29.360 29.700 -0.272 0.000 0.750 1299 E HN 0.301 nan 8.360 nan 0.000 0.452 1300 L N 0.819 121.816 121.223 -0.377 0.000 2.083 1300 L HA -0.176 4.164 4.340 0.000 0.000 0.209 1300 L C 2.290 179.154 176.870 -0.010 0.000 1.083 1300 L CA 1.147 55.849 54.840 -0.230 0.000 0.752 1300 L CB -0.361 41.505 42.059 -0.321 0.000 0.899 1300 L HN 0.110 nan 8.230 nan 0.000 0.433 1301 E N 0.109 120.276 120.200 -0.055 0.000 2.265 1301 E HA -0.210 4.141 4.350 0.000 0.000 0.196 1301 E C 2.006 178.591 176.600 -0.026 0.000 0.996 1301 E CA 0.760 57.145 56.400 -0.025 0.000 0.832 1301 E CB 0.060 29.733 29.700 -0.046 0.000 0.756 1301 E HN 0.426 nan 8.360 nan 0.000 0.491 1302 K N -0.159 120.218 120.400 -0.037 0.000 2.283 1302 K HA -0.124 4.196 4.320 0.000 0.000 0.202 1302 K C 0.758 177.161 176.600 -0.329 0.000 1.048 1302 K CA 0.924 57.107 56.287 -0.172 0.000 0.948 1302 K CB 0.075 32.448 32.500 -0.211 0.000 0.742 1302 K HN 0.236 nan 8.250 nan 0.000 0.458 1303 Y N 1.041 121.329 120.300 -0.020 0.000 2.524 1303 Y HA 0.041 4.591 4.550 0.000 0.000 0.266 1303 Y C 1.566 177.469 175.900 0.006 0.000 1.180 1303 Y CA -0.374 57.728 58.100 0.004 0.000 1.244 1303 Y CB 0.010 38.482 38.460 0.019 0.000 1.125 1303 Y HN 0.164 nan 8.280 nan 0.000 0.524 1304 E N 0.446 120.690 120.200 0.073 0.000 2.171 1304 E HA -0.274 4.076 4.350 0.000 0.000 0.197 1304 E C 0.770 177.398 176.600 0.046 0.000 0.997 1304 E CA 1.627 58.058 56.400 0.052 0.000 0.810 1304 E CB -0.210 29.498 29.700 0.014 0.000 0.738 1304 E HN 0.540 nan 8.360 nan 0.000 0.467 1305 Q N 0.073 119.890 119.800 0.030 0.000 2.157 1305 Q HA 0.350 4.690 4.340 0.000 0.000 0.229 1305 Q C -0.234 175.792 176.000 0.044 0.000 0.827 1305 Q CA -0.116 55.703 55.803 0.027 0.000 1.055 1305 Q CB 0.940 29.679 28.738 0.001 0.000 1.157 1305 Q HN 0.231 nan 8.270 nan 0.000 0.482 1306 L N 1.288 122.564 121.223 0.089 0.000 2.669 1306 L HA 0.242 4.582 4.340 0.000 0.000 0.273 1306 L C -1.811 175.186 176.870 0.212 0.000 1.441 1306 L CA -1.097 53.822 54.840 0.132 0.000 0.745 1306 L CB 0.953 43.081 42.059 0.114 0.000 1.044 1306 L HN -0.046 nan 8.230 nan 0.000 0.523 1307 P HA -0.247 nan 4.420 nan 0.000 0.216 1307 P C 1.071 178.442 177.300 0.118 0.000 1.153 1307 P CA 1.566 64.749 63.100 0.137 0.000 0.858 1307 P CB 0.280 32.044 31.700 0.107 0.000 0.789 1308 E N -0.183 120.079 120.200 0.105 0.000 2.338 1308 E HA -0.140 4.210 4.350 0.000 0.000 0.197 1308 E C 1.012 177.666 176.600 0.089 0.000 1.007 1308 E CA 0.814 57.263 56.400 0.081 0.000 0.849 1308 E CB -0.674 29.065 29.700 0.065 0.000 0.774 1308 E HN 0.272 nan 8.360 nan 0.000 0.506 1309 D N 0.755 121.239 120.400 0.140 0.000 2.369 1309 D HA 0.003 4.643 4.640 0.000 0.000 0.211 1309 D C 1.559 177.843 176.300 -0.027 0.000 1.077 1309 D CA 0.041 54.130 54.000 0.149 0.000 0.842 1309 D CB 1.056 42.033 40.800 0.294 0.000 0.947 1309 D HN 0.077 nan 8.370 nan 0.000 0.509 1310 V N 1.175 121.036 119.914 -0.088 0.000 2.867 1310 V HA -0.108 4.012 4.120 0.000 0.000 0.260 1310 V C 2.201 178.251 176.094 -0.073 0.000 1.099 1310 V CA 1.948 64.052 62.300 -0.327 0.000 1.122 1310 V CB -0.367 31.436 31.823 -0.034 0.000 0.708 1310 V HN 0.226 nan 8.190 nan 0.000 0.490 1311 G N -1.158 107.674 108.800 0.053 0.000 2.450 1311 G HA2 -0.363 3.598 3.960 0.000 0.000 0.220 1311 G HA3 -0.363 3.598 3.960 0.000 0.000 0.220 1311 G C 1.359 176.358 174.900 0.166 0.000 1.130 1311 G CA 1.098 46.288 45.100 0.149 0.000 0.760 1311 G HN 0.696 nan 8.290 nan 0.000 0.557 1312 H N -0.430 118.616 119.070 -0.040 0.000 2.422 1312 H HA -0.090 4.466 4.556 0.000 0.000 0.298 1312 H C 2.436 177.757 175.328 -0.012 0.000 1.098 1312 H CA 1.491 57.523 56.048 -0.026 0.000 1.315 1312 H CB -0.612 29.142 29.762 -0.015 0.000 1.382 1312 H HN 0.265 nan 8.280 nan 0.000 0.523 1313 C N -0.402 118.800 119.300 -0.163 0.000 2.425 1313 C HA -0.133 4.328 4.460 0.000 0.000 0.277 1313 C C 2.478 177.522 174.990 0.089 0.000 1.280 1313 C CA 1.067 60.019 59.018 -0.109 0.000 1.744 1313 C CB -1.698 25.795 27.740 -0.412 0.000 1.989 1313 C HN 0.605 nan 8.230 nan 0.000 0.491 1314 F N 0.149 120.202 119.950 0.171 0.000 2.206 1314 F HA -0.025 4.502 4.527 0.001 0.000 0.298 1314 F C 2.307 178.142 175.800 0.058 0.000 1.090 1314 F CA 1.381 59.465 58.000 0.141 0.000 1.323 1314 F CB -0.750 38.202 39.000 -0.080 0.000 1.028 1314 F HN 0.013 nan 8.300 nan 0.000 0.492 1315 V N -0.664 119.324 119.914 0.122 0.000 2.307 1315 V HA -0.250 3.870 4.120 0.000 0.000 0.245 1315 V C 2.261 178.298 176.094 -0.095 0.000 1.045 1315 V CA 2.334 64.641 62.300 0.011 0.000 1.024 1315 V CB -1.015 30.802 31.823 -0.009 0.000 0.651 1315 V HN 0.343 nan 8.190 nan 0.000 0.449 1316 T N -1.409 112.980 114.554 -0.277 0.000 2.759 1316 T HA -0.229 4.122 4.350 0.000 0.000 0.269 1316 T C 1.081 175.452 174.700 -0.549 0.000 1.042 1316 T CA 1.739 63.536 62.100 -0.505 0.000 1.140 1316 T CB -0.336 68.085 68.868 -0.745 0.000 0.864 1316 T HN 0.670 nan 8.240 nan 0.000 0.455 1317 W N 0.678 122.027 121.300 0.082 0.000 3.223 1317 W HA 0.630 5.290 4.660 0.000 0.000 0.389 1317 W C 1.953 178.552 176.519 0.133 0.000 1.118 1317 W CA -0.514 56.902 57.345 0.118 0.000 1.902 1317 W CB -0.240 29.388 29.460 0.279 0.000 1.094 1317 W HN 0.174 nan 8.180 nan 0.000 0.666 1318 A N 0.435 123.399 122.820 0.240 0.000 1.948 1318 A HA -0.261 4.059 4.320 0.000 0.000 0.220 1318 A C 1.803 179.490 177.584 0.172 0.000 1.177 1318 A CA 2.291 54.473 52.037 0.241 0.000 0.636 1318 A CB -0.436 18.625 19.000 0.102 0.000 0.815 1318 A HN 0.159 nan 8.150 nan 0.000 0.449 1319 D N -0.236 120.206 120.400 0.070 0.000 2.178 1319 D HA -0.107 4.533 4.640 0.000 0.000 0.201 1319 D C 1.825 178.103 176.300 -0.037 0.000 0.980 1319 D CA 0.977 54.991 54.000 0.024 0.000 0.842 1319 D CB -0.182 40.617 40.800 -0.002 0.000 0.948 1319 D HN 0.288 nan 8.370 nan 0.000 0.472 1320 K N 0.173 120.489 120.400 -0.141 0.000 2.097 1320 K HA -0.069 4.251 4.320 0.000 0.000 0.206 1320 K C 1.892 178.173 176.600 -0.532 0.000 1.049 1320 K CA 0.366 56.339 56.287 -0.523 0.000 0.933 1320 K CB -0.540 31.246 32.500 -1.190 0.000 0.717 1320 K HN 0.236 nan 8.250 nan 0.000 0.442 1321 F N 1.710 121.530 119.950 -0.217 0.000 2.641 1321 F HA -0.129 4.398 4.527 0.001 0.000 0.298 1321 F C 2.460 178.324 175.800 0.106 0.000 1.146 1321 F CA 0.704 58.701 58.000 -0.005 0.000 1.464 1321 F CB -0.277 38.704 39.000 -0.030 0.000 1.101 1321 F HN 0.093 nan 8.300 nan 0.000 0.585 1322 Q N 0.528 120.421 119.800 0.154 0.000 2.226 1322 Q HA -0.190 4.150 4.340 0.000 0.000 0.204 1322 Q C 1.893 177.979 176.000 0.143 0.000 0.975 1322 Q CA 1.570 57.456 55.803 0.138 0.000 0.866 1322 Q CB -0.377 28.404 28.738 0.072 0.000 0.915 1322 Q HN 0.460 nan 8.270 nan 0.000 0.440 1323 M N -1.224 118.428 119.600 0.087 0.000 2.279 1323 M HA -0.173 4.307 4.480 0.000 0.000 0.264 1323 M C 1.078 177.452 176.300 0.122 0.000 1.062 1323 M CA 1.300 56.630 55.300 0.049 0.000 1.099 1323 M CB -0.232 32.321 32.600 -0.078 0.000 1.394 1323 M HN 0.234 nan 8.290 nan 0.000 0.426 1324 Y N -0.600 119.801 120.300 0.168 0.000 2.395 1324 Y HA -0.103 4.448 4.550 0.001 0.000 0.293 1324 Y C 2.332 178.373 175.900 0.235 0.000 1.123 1324 Y CA 0.792 59.042 58.100 0.249 0.000 1.227 1324 Y CB -0.476 38.166 38.460 0.304 0.000 1.012 1324 Y HN -0.072 nan 8.280 nan 0.000 0.552 1325 V N -0.838 119.269 119.914 0.321 0.000 2.343 1325 V HA -0.301 3.819 4.120 0.000 0.000 0.247 1325 V C 2.154 178.358 176.094 0.184 0.000 1.051 1325 V CA 2.400 64.834 62.300 0.223 0.000 1.036 1325 V CB -1.015 30.908 31.823 0.166 0.000 0.654 1325 V HN 0.405 nan 8.190 nan 0.000 0.451 1326 T N -0.983 113.669 114.554 0.164 0.000 2.708 1326 T HA -0.250 4.100 4.350 0.000 0.000 0.266 1326 T C 1.760 176.534 174.700 0.124 0.000 1.037 1326 T CA 2.158 64.330 62.100 0.120 0.000 1.146 1326 T CB -0.395 68.533 68.868 0.099 0.000 0.865 1326 T HN 0.546 nan 8.240 nan 0.000 0.435 1327 Y N 1.020 121.350 120.300 0.049 0.000 2.145 1327 Y HA -0.221 4.329 4.550 0.000 0.000 0.286 1327 Y C 2.642 178.583 175.900 0.069 0.000 1.145 1327 Y CA 0.891 59.014 58.100 0.039 0.000 1.148 1327 Y CB -0.660 37.796 38.460 -0.006 0.000 0.981 1327 Y HN 0.217 nan 8.280 nan 0.000 0.507 1328 C N 0.407 119.858 119.300 0.252 0.000 2.435 1328 C HA -0.128 4.333 4.460 0.000 0.000 0.279 1328 C C 2.550 177.571 174.990 0.052 0.000 1.321 1328 C CA 1.160 60.279 59.018 0.168 0.000 1.752 1328 C CB -0.980 26.896 27.740 0.227 0.000 1.959 1328 C HN 0.515 nan 8.230 nan 0.000 0.500 1329 K N 0.953 121.384 120.400 0.051 0.000 2.057 1329 K HA -0.140 4.181 4.320 0.000 0.000 0.206 1329 K C 1.751 178.333 176.600 -0.029 0.000 1.050 1329 K CA 1.609 57.912 56.287 0.026 0.000 0.935 1329 K CB -0.265 32.263 32.500 0.046 0.000 0.715 1329 K HN 0.437 nan 8.250 nan 0.000 0.439 1330 N N 1.048 119.700 118.700 -0.081 0.000 2.409 1330 N HA -0.122 4.618 4.740 0.000 0.000 0.179 1330 N C 1.478 176.876 175.510 -0.186 0.000 1.032 1330 N CA 0.781 53.752 53.050 -0.131 0.000 0.898 1330 N CB 0.156 38.546 38.487 -0.163 0.000 0.971 1330 N HN -0.101 nan 8.380 nan 0.000 0.441 1331 K N 0.948 121.214 120.400 -0.224 0.000 2.074 1331 K HA -0.061 4.260 4.320 0.000 0.000 0.209 1331 K C -1.017 175.508 176.600 -0.125 0.000 1.048 1331 K CA 1.481 57.643 56.287 -0.209 0.000 0.926 1331 K CB -1.035 31.390 32.500 -0.125 0.000 0.713 1331 K HN 0.271 nan 8.250 nan 0.000 0.444 1332 P HA -0.056 nan 4.420 nan 0.000 0.217 1332 P C 0.188 177.441 177.300 -0.079 0.000 1.150 1332 P CA 1.517 64.576 63.100 -0.068 0.000 0.832 1332 P CB 0.063 31.732 31.700 -0.051 0.000 0.787 1333 D N -1.249 119.100 120.400 -0.084 0.000 2.117 1333 D HA -0.139 4.501 4.640 0.000 0.000 0.198 1333 D C 2.106 178.348 176.300 -0.095 0.000 0.982 1333 D CA 1.330 55.282 54.000 -0.080 0.000 0.828 1333 D CB -0.697 40.062 40.800 -0.068 0.000 0.967 1333 D HN 0.042 nan 8.370 nan 0.000 0.464 1334 S N -0.417 115.209 115.700 -0.124 0.000 2.353 1334 S HA -0.208 4.262 4.470 0.000 0.000 0.222 1334 S C 2.017 176.537 174.600 -0.133 0.000 1.035 1334 S CA 1.923 60.034 58.200 -0.149 0.000 1.025 1334 S CB -0.665 62.404 63.200 -0.218 0.000 0.902 1334 S HN 0.190 nan 8.310 nan 0.000 0.440 1335 T N 2.075 116.556 114.554 -0.121 0.000 2.759 1335 T HA -0.095 4.255 4.350 0.000 0.000 0.269 1335 T C 1.987 176.639 174.700 -0.080 0.000 1.042 1335 T CA 1.478 63.520 62.100 -0.096 0.000 1.140 1335 T CB -0.332 68.491 68.868 -0.075 0.000 0.864 1335 T HN 0.403 nan 8.240 nan 0.000 0.455 1336 Q N 0.255 120.004 119.800 -0.085 0.000 2.137 1336 Q HA 0.123 4.463 4.340 0.000 0.000 0.198 1336 Q C 2.371 178.297 176.000 -0.123 0.000 0.960 1336 Q CA 0.650 56.395 55.803 -0.095 0.000 0.847 1336 Q CB -0.674 28.006 28.738 -0.096 0.000 0.915 1336 Q HN 0.398 nan 8.270 nan 0.000 0.448 1337 L N 0.514 121.673 121.223 -0.107 0.000 2.131 1337 L HA -0.087 4.253 4.340 0.000 0.000 0.210 1337 L C 1.925 178.780 176.870 -0.025 0.000 1.092 1337 L CA 1.370 56.153 54.840 -0.095 0.000 0.759 1337 L CB -0.370 41.668 42.059 -0.034 0.000 0.903 1337 L HN 0.097 nan 8.230 nan 0.000 0.435 1338 I N -1.387 119.179 120.570 -0.006 0.000 2.277 1338 I HA -0.210 3.960 4.170 0.000 0.000 0.243 1338 I C 2.256 178.405 176.117 0.054 0.000 1.094 1338 I CA 0.880 62.224 61.300 0.072 0.000 1.393 1338 I CB -0.385 37.625 38.000 0.017 0.000 1.078 1338 I HN 0.289 nan 8.210 nan 0.000 0.417 1339 L N 1.495 122.716 121.223 -0.004 0.000 2.191 1339 L HA -0.204 4.136 4.340 0.000 0.000 0.212 1339 L C 2.174 179.038 176.870 -0.009 0.000 1.103 1339 L CA 2.027 56.863 54.840 -0.006 0.000 0.769 1339 L CB -0.598 41.444 42.059 -0.029 0.000 0.908 1339 L HN 0.465 nan 8.230 nan 0.000 0.438 1340 E N -3.590 116.575 120.200 -0.058 0.000 2.465 1340 E HA 0.001 4.351 4.350 0.000 0.000 0.209 1340 E C 1.156 177.816 176.600 0.100 0.000 0.951 1340 E CA 0.350 56.713 56.400 -0.061 0.000 0.997 1340 E CB -0.262 29.307 29.700 -0.217 0.000 1.025 1340 E HN 0.674 nan 8.360 nan 0.000 0.500 1341 H N -0.895 118.184 119.070 0.014 0.000 3.440 1341 H HA 0.416 4.972 4.556 0.000 0.000 0.259 1341 H C 1.546 176.873 175.328 -0.001 0.000 1.120 1341 H CA 0.202 56.251 56.048 0.001 0.000 1.191 1341 H CB 1.240 30.997 29.762 -0.009 0.000 1.537 1341 H HN 0.247 nan 8.280 nan 0.000 0.547 1342 A N 1.056 123.970 122.820 0.158 0.000 1.975 1342 A HA 0.336 4.656 4.320 0.000 0.000 0.215 1342 A C 1.868 179.513 177.584 0.101 0.000 1.170 1342 A CA 1.106 53.217 52.037 0.125 0.000 0.656 1342 A CB -0.489 18.688 19.000 0.295 0.000 0.821 1342 A HN 0.498 nan 8.150 nan 0.000 0.449 1343 G N -0.288 108.576 108.800 0.107 0.000 2.583 1343 G HA2 -0.336 3.624 3.960 0.000 0.000 0.292 1343 G HA3 -0.336 3.624 3.960 0.000 0.000 0.292 1343 G C 0.986 175.951 174.900 0.107 0.000 1.203 1343 G CA 1.554 46.707 45.100 0.088 0.000 0.987 1343 G HN 1.647 nan 8.290 nan 0.000 0.554 1344 S N -0.605 115.152 115.700 0.096 0.000 2.575 1344 S HA 0.344 4.814 4.470 0.000 0.000 0.237 1344 S C 1.419 176.076 174.600 0.096 0.000 0.975 1344 S CA 0.865 59.123 58.200 0.096 0.000 0.960 1344 S CB 0.236 63.476 63.200 0.066 0.000 0.822 1344 S HN 1.060 nan 8.310 nan 0.000 0.472 1345 Y N 2.508 122.765 120.300 -0.072 0.000 2.081 1345 Y HA -0.193 4.357 4.550 0.000 0.000 0.280 1345 Y C 1.344 177.152 175.900 -0.153 0.000 1.163 1345 Y CA 1.729 59.713 58.100 -0.194 0.000 1.135 1345 Y CB -0.593 37.609 38.460 -0.430 0.000 0.970 1345 Y HN 0.335 nan 8.280 nan 0.000 0.498 1346 F N 0.337 120.341 119.950 0.090 0.000 2.259 1346 F HA -0.095 4.432 4.527 0.000 0.000 0.298 1346 F C 2.148 178.016 175.800 0.114 0.000 1.088 1346 F CA 1.387 59.419 58.000 0.054 0.000 1.358 1346 F CB -0.712 38.292 39.000 0.006 0.000 1.040 1346 F HN 0.058 nan 8.300 nan 0.000 0.505 1347 D N 0.202 120.737 120.400 0.225 0.000 2.144 1347 D HA -0.136 4.505 4.640 0.000 0.000 0.200 1347 D C 2.038 178.409 176.300 0.119 0.000 0.978 1347 D CA 1.118 55.217 54.000 0.165 0.000 0.833 1347 D CB -0.332 40.535 40.800 0.112 0.000 0.961 1347 D HN 0.371 nan 8.370 nan 0.000 0.470 1348 E N -0.006 120.228 120.200 0.058 0.000 2.152 1348 E HA -0.046 4.304 4.350 0.000 0.000 0.192 1348 E C 2.269 178.868 176.600 -0.002 0.000 0.983 1348 E CA 0.211 56.617 56.400 0.010 0.000 0.818 1348 E CB 0.086 29.773 29.700 -0.022 0.000 0.758 1348 E HN 0.297 nan 8.360 nan 0.000 0.467 1349 I N 1.199 121.780 120.570 0.017 0.000 2.226 1349 I HA -0.320 3.850 4.170 0.000 0.000 0.245 1349 I C 2.794 179.005 176.117 0.156 0.000 1.100 1349 I CA 1.198 62.550 61.300 0.087 0.000 1.374 1349 I CB -0.209 37.890 38.000 0.164 0.000 1.057 1349 I HN 0.159 nan 8.210 nan 0.000 0.413 1350 Q N 0.760 120.711 119.800 0.253 0.000 2.061 1350 Q HA -0.287 4.053 4.340 0.000 0.000 0.204 1350 Q C 2.230 178.293 176.000 0.106 0.000 0.984 1350 Q CA 1.870 57.808 55.803 0.225 0.000 0.846 1350 Q CB -0.017 28.904 28.738 0.306 0.000 0.902 1350 Q HN 0.550 nan 8.270 nan 0.000 0.421 1351 Q N -0.288 119.552 119.800 0.067 0.000 2.079 1351 Q HA -0.148 4.193 4.340 0.000 0.000 0.200 1351 Q C 2.201 178.181 176.000 -0.033 0.000 0.974 1351 Q CA 1.359 57.174 55.803 0.020 0.000 0.840 1351 Q CB -0.064 28.682 28.738 0.014 0.000 0.898 1351 Q HN 0.323 nan 8.270 nan 0.000 0.430 1352 R N -0.229 120.212 120.500 -0.099 0.000 2.096 1352 R HA -0.084 4.256 4.340 0.000 0.000 0.235 1352 R C 1.591 177.705 176.300 -0.310 0.000 1.127 1352 R CA 0.974 56.936 56.100 -0.230 0.000 0.968 1352 R CB -0.042 30.047 30.300 -0.351 0.000 0.861 1352 R HN 0.357 nan 8.270 nan 0.000 0.440 1353 H N -0.804 118.248 119.070 -0.029 0.000 2.526 1353 H HA 0.156 4.713 4.556 0.001 0.000 0.274 1353 H C 0.873 176.178 175.328 -0.039 0.000 0.999 1353 H CA 0.672 56.689 56.048 -0.051 0.000 1.157 1353 H CB 0.578 30.285 29.762 -0.093 0.000 1.407 1353 H HN 0.408 nan 8.280 nan 0.000 0.568 1354 G N 1.695 110.525 108.800 0.049 0.000 2.323 1354 G HA2 -0.280 3.681 3.960 0.000 0.000 0.292 1354 G HA3 -0.280 3.681 3.960 0.000 0.000 0.292 1354 G C 0.122 175.051 174.900 0.049 0.000 1.040 1354 G CA 0.072 45.195 45.100 0.038 0.000 0.942 1354 G HN 0.301 nan 8.290 nan 0.000 0.506 1355 L N -0.733 120.530 121.223 0.068 0.000 2.349 1355 L HA 0.524 4.864 4.340 0.000 0.000 0.275 1355 L C 1.814 178.722 176.870 0.063 0.000 1.115 1355 L CA -0.186 54.696 54.840 0.070 0.000 0.820 1355 L CB 1.133 43.242 42.059 0.083 0.000 1.135 1355 L HN 0.218 nan 8.230 nan 0.000 0.445 1356 A N 3.182 126.026 122.820 0.039 0.000 1.929 1356 A HA -0.012 4.309 4.320 0.000 0.000 0.216 1356 A C 0.899 178.464 177.584 -0.031 0.000 1.176 1356 A CA 0.760 52.801 52.037 0.008 0.000 0.628 1356 A CB -0.194 18.806 19.000 0.000 0.000 0.816 1356 A HN 0.791 nan 8.150 nan 0.000 0.444 1357 N N 1.073 119.715 118.700 -0.097 0.000 2.455 1357 N HA 0.279 5.019 4.740 0.000 0.000 0.280 1357 N C -0.096 175.371 175.510 -0.071 0.000 1.055 1357 N CA 0.335 53.222 53.050 -0.271 0.000 0.961 1357 N CB 1.436 39.354 38.487 -0.948 0.000 1.121 1357 N HN 0.481 nan 8.380 nan 0.000 0.476 1358 S N 1.214 116.874 115.700 -0.068 0.000 2.624 1358 S HA 0.128 4.598 4.470 0.000 0.000 0.263 1358 S C 1.483 175.991 174.600 -0.153 0.000 1.287 1358 S CA -0.631 57.568 58.200 -0.002 0.000 0.990 1358 S CB 0.821 63.999 63.200 -0.037 0.000 0.950 1358 S HN 0.518 nan 8.310 nan 0.000 0.561 1359 I N 1.541 121.841 120.570 -0.451 0.000 2.286 1359 I HA -0.150 4.020 4.170 0.000 0.000 0.248 1359 I C 2.469 178.388 176.117 -0.329 0.000 1.115 1359 I CA 2.241 63.102 61.300 -0.731 0.000 1.392 1359 I CB -0.949 36.382 38.000 -1.116 0.000 1.065 1359 I HN 0.899 nan 8.210 nan 0.000 0.418 1360 S N -1.139 114.420 115.700 -0.236 0.000 2.402 1360 S HA -0.185 4.285 4.470 0.000 0.000 0.229 1360 S C 2.216 176.776 174.600 -0.067 0.000 1.021 1360 S CA 1.326 59.444 58.200 -0.137 0.000 0.974 1360 S CB -1.134 62.007 63.200 -0.098 0.000 0.800 1360 S HN 0.559 nan 8.310 nan 0.000 0.484 1361 S N -0.029 115.618 115.700 -0.088 0.000 2.383 1361 S HA -0.066 4.404 4.470 0.000 0.000 0.227 1361 S C 1.664 176.255 174.600 -0.014 0.000 1.026 1361 S CA 0.876 59.027 58.200 -0.082 0.000 0.981 1361 S CB -0.620 62.480 63.200 -0.166 0.000 0.818 1361 S HN 0.629 nan 8.310 nan 0.000 0.472 1362 Y N 1.610 121.924 120.300 0.024 0.000 2.243 1362 Y HA 0.224 4.774 4.550 0.001 0.000 0.293 1362 Y C 2.124 178.069 175.900 0.075 0.000 1.124 1362 Y CA 0.584 58.725 58.100 0.068 0.000 1.159 1362 Y CB -0.521 38.005 38.460 0.111 0.000 1.008 1362 Y HN 0.212 nan 8.280 nan 0.000 0.527 1363 L N -0.924 120.414 121.223 0.192 0.000 2.191 1363 L HA -0.189 4.152 4.340 0.000 0.000 0.212 1363 L C 2.003 179.024 176.870 0.252 0.000 1.103 1363 L CA 0.967 55.916 54.840 0.181 0.000 0.769 1363 L CB -0.398 41.654 42.059 -0.012 0.000 0.908 1363 L HN 0.198 nan 8.230 nan 0.000 0.438 1364 I N -0.507 120.166 120.570 0.171 0.000 3.578 1364 I HA -0.110 4.060 4.170 0.000 0.000 0.295 1364 I C 2.138 178.366 176.117 0.184 0.000 1.280 1364 I CA 0.930 62.332 61.300 0.171 0.000 1.347 1364 I CB -0.277 37.778 38.000 0.092 0.000 1.051 1364 I HN 0.040 nan 8.210 nan 0.000 0.460 1365 K N 0.915 121.439 120.400 0.207 0.000 2.103 1365 K HA -0.113 4.207 4.320 0.000 0.000 0.207 1365 K C -0.576 176.181 176.600 0.262 0.000 1.048 1365 K CA 1.678 58.107 56.287 0.235 0.000 0.930 1365 K CB -1.273 31.426 32.500 0.331 0.000 0.716 1365 K HN 0.338 nan 8.250 nan 0.000 0.444 1366 P HA -0.113 nan 4.420 nan 0.000 0.217 1366 P C 1.335 178.820 177.300 0.308 0.000 1.150 1366 P CA 0.905 64.174 63.100 0.282 0.000 0.832 1366 P CB 0.119 31.637 31.700 -0.305 0.000 0.787 1367 V N -0.146 119.925 119.914 0.262 0.000 2.358 1367 V HA -0.265 3.856 4.120 0.000 0.000 0.246 1367 V C 2.407 178.563 176.094 0.102 0.000 1.047 1367 V CA 1.814 64.251 62.300 0.228 0.000 1.035 1367 V CB -1.381 30.572 31.823 0.217 0.000 0.658 1367 V HN 0.165 nan 8.190 nan 0.000 0.452 1368 Q N -0.463 119.376 119.800 0.065 0.000 2.224 1368 Q HA -0.221 4.119 4.340 0.000 0.000 0.203 1368 Q C 2.421 178.342 176.000 -0.132 0.000 0.970 1368 Q CA 1.332 57.126 55.803 -0.015 0.000 0.865 1368 Q CB -0.195 28.544 28.738 0.001 0.000 0.922 1368 Q HN 0.414 nan 8.270 nan 0.000 0.445 1369 R N 0.913 121.284 120.500 -0.215 0.000 2.075 1369 R HA -0.089 4.251 4.340 0.000 0.000 0.232 1369 R C 1.897 177.890 176.300 -0.512 0.000 1.126 1369 R CA 1.199 56.969 56.100 -0.551 0.000 0.963 1369 R CB -0.301 29.440 30.300 -0.930 0.000 0.858 1369 R HN 0.172 nan 8.270 nan 0.000 0.435 1370 I N 0.365 120.804 120.570 -0.219 0.000 2.226 1370 I HA -0.213 3.958 4.170 0.000 0.000 0.245 1370 I C 1.756 177.822 176.117 -0.084 0.000 1.100 1370 I CA 1.664 62.904 61.300 -0.099 0.000 1.374 1370 I CB -1.390 36.571 38.000 -0.065 0.000 1.057 1370 I HN 0.203 nan 8.210 nan 0.000 0.413 1371 T N 0.623 115.126 114.554 -0.086 0.000 2.746 1371 T HA -0.191 4.159 4.350 0.000 0.000 0.267 1371 T C 1.952 176.597 174.700 -0.091 0.000 1.039 1371 T CA 1.542 63.602 62.100 -0.067 0.000 1.142 1371 T CB -0.096 68.747 68.868 -0.043 0.000 0.866 1371 T HN 0.090 nan 8.240 nan 0.000 0.444 1372 K N 0.486 120.790 120.400 -0.161 0.000 2.057 1372 K HA -0.066 4.254 4.320 0.000 0.000 0.207 1372 K C 1.808 178.350 176.600 -0.097 0.000 1.049 1372 K CA 1.355 57.546 56.287 -0.160 0.000 0.931 1372 K CB -0.633 31.717 32.500 -0.251 0.000 0.714 1372 K HN 0.350 nan 8.250 nan 0.000 0.440 1373 Y N 1.305 121.549 120.300 -0.093 0.000 2.181 1373 Y HA -0.168 4.383 4.550 0.000 0.000 0.288 1373 Y C 2.276 178.027 175.900 -0.248 0.000 1.146 1373 Y CA 1.524 59.536 58.100 -0.147 0.000 1.164 1373 Y CB -0.648 37.716 38.460 -0.160 0.000 0.982 1373 Y HN 0.232 nan 8.280 nan 0.000 0.515 1374 Q N -0.245 119.525 119.800 -0.049 0.000 2.061 1374 Q HA -0.185 4.156 4.340 0.000 0.000 0.204 1374 Q C 2.326 178.278 176.000 -0.080 0.000 0.984 1374 Q CA 1.749 57.489 55.803 -0.104 0.000 0.846 1374 Q CB -0.465 28.225 28.738 -0.080 0.000 0.902 1374 Q HN 0.464 nan 8.270 nan 0.000 0.421 1375 L N 0.222 121.413 121.223 -0.052 0.000 2.046 1375 L HA -0.215 4.125 4.340 0.000 0.000 0.208 1375 L C 2.320 179.174 176.870 -0.027 0.000 1.077 1375 L CA 1.006 55.823 54.840 -0.037 0.000 0.747 1375 L CB -0.412 41.629 42.059 -0.030 0.000 0.896 1375 L HN 0.271 nan 8.230 nan 0.000 0.432 1376 L N -0.722 120.494 121.223 -0.013 0.000 2.056 1376 L HA -0.213 4.127 4.340 0.000 0.000 0.207 1376 L C 2.481 179.338 176.870 -0.022 0.000 1.078 1376 L CA 1.058 55.905 54.840 0.011 0.000 0.749 1376 L CB -0.380 41.720 42.059 0.070 0.000 0.901 1376 L HN 0.257 nan 8.230 nan 0.000 0.433 1377 L N -0.434 120.736 121.223 -0.088 0.000 2.093 1377 L HA -0.193 4.148 4.340 0.000 0.000 0.208 1377 L C 2.584 179.406 176.870 -0.081 0.000 1.085 1377 L CA 1.252 56.015 54.840 -0.129 0.000 0.755 1377 L CB -0.381 41.516 42.059 -0.270 0.000 0.904 1377 L HN 0.193 nan 8.230 nan 0.000 0.435 1378 K N -0.011 120.347 120.400 -0.070 0.000 2.097 1378 K HA -0.181 4.140 4.320 0.000 0.000 0.206 1378 K C 1.989 178.571 176.600 -0.030 0.000 1.049 1378 K CA 1.307 57.565 56.287 -0.049 0.000 0.933 1378 K CB -0.065 32.408 32.500 -0.044 0.000 0.717 1378 K HN 0.335 nan 8.250 nan 0.000 0.442 1379 E N 0.831 121.018 120.200 -0.022 0.000 2.077 1379 E HA -0.159 4.192 4.350 0.000 0.000 0.193 1379 E C 1.997 178.596 176.600 -0.002 0.000 0.989 1379 E CA 0.890 57.285 56.400 -0.008 0.000 0.800 1379 E CB -0.045 29.658 29.700 0.004 0.000 0.746 1379 E HN 0.221 nan 8.360 nan 0.000 0.452 1380 L N 0.691 121.914 121.223 0.000 0.000 2.131 1380 L HA -0.183 4.157 4.340 0.000 0.000 0.210 1380 L C 2.396 179.267 176.870 0.001 0.000 1.092 1380 L CA 0.671 55.517 54.840 0.010 0.000 0.759 1380 L CB -0.247 41.820 42.059 0.013 0.000 0.903 1380 L HN 0.203 nan 8.230 nan 0.000 0.435 1381 L N -0.282 120.933 121.223 -0.013 0.000 2.131 1381 L HA -0.193 4.147 4.340 0.000 0.000 0.210 1381 L C 2.732 179.597 176.870 -0.009 0.000 1.092 1381 L CA 1.832 56.664 54.840 -0.014 0.000 0.759 1381 L CB -0.713 41.331 42.059 -0.024 0.000 0.903 1381 L HN 0.484 nan 8.230 nan 0.000 0.435 1382 T N -3.726 110.822 114.554 -0.010 0.000 3.035 1382 T HA -0.126 4.224 4.350 0.000 0.000 0.268 1382 T C 1.256 175.953 174.700 -0.005 0.000 1.109 1382 T CA 0.755 62.850 62.100 -0.010 0.000 1.119 1382 T CB -0.643 68.218 68.868 -0.013 0.000 0.900 1382 T HN 0.576 nan 8.240 nan 0.000 0.503 1383 C N -0.068 119.232 119.300 0.001 0.000 3.101 1383 C HA 0.774 5.234 4.460 0.000 0.000 0.253 1383 C C 0.323 175.321 174.990 0.013 0.000 1.754 1383 C CA -1.857 57.165 59.018 0.006 0.000 1.756 1383 C CB -1.678 26.067 27.740 0.008 0.000 3.227 1383 C HN 0.501 nan 8.230 nan 0.000 0.483 1384 C N 1.498 120.804 119.300 0.010 0.000 2.779 1384 C HA 0.587 5.047 4.460 0.000 0.000 0.314 1384 C C 0.083 175.079 174.990 0.010 0.000 1.231 1384 C CA -0.216 58.810 59.018 0.015 0.000 1.652 1384 C CB 1.583 29.334 27.740 0.018 0.000 2.198 1384 C HN 0.601 nan 8.230 nan 0.000 0.483 1385 E N 1.729 121.936 120.200 0.012 0.000 2.376 1385 E HA 0.090 4.440 4.350 0.000 0.000 0.266 1385 E C -0.276 176.328 176.600 0.006 0.000 1.009 1385 E CA 0.112 56.517 56.400 0.009 0.000 0.902 1385 E CB 0.404 30.111 29.700 0.011 0.000 0.972 1385 E HN 0.435 nan 8.360 nan 0.000 0.439 1386 E N 1.611 121.813 120.200 0.003 0.000 2.558 1386 E HA -0.020 4.330 4.350 0.000 0.000 0.255 1386 E C 1.099 177.700 176.600 0.002 0.000 0.968 1386 E CA 0.842 57.242 56.400 0.000 0.000 0.939 1386 E CB 0.589 30.288 29.700 -0.002 0.000 0.921 1386 E HN 0.903 nan 8.360 nan 0.000 0.477 1387 G N 2.952 111.753 108.800 0.001 0.000 2.184 1387 G HA2 -0.348 3.612 3.960 0.000 0.000 0.264 1387 G HA3 -0.348 3.612 3.960 0.000 0.000 0.264 1387 G C 0.266 175.172 174.900 0.009 0.000 0.975 1387 G CA 1.079 46.181 45.100 0.003 0.000 0.642 1387 G HN 0.539 nan 8.290 nan 0.000 0.536 1388 K N -0.947 119.460 120.400 0.012 0.000 2.123 1388 K HA 0.654 4.974 4.320 0.000 0.000 0.248 1388 K C 1.315 177.931 176.600 0.027 0.000 0.969 1388 K CA -0.167 56.131 56.287 0.018 0.000 0.882 1388 K CB 1.506 34.017 32.500 0.019 0.000 1.080 1388 K HN 1.404 nan 8.250 nan 0.000 0.441 1389 G N 0.669 109.489 108.800 0.034 0.000 2.212 1389 G HA2 -0.389 3.571 3.960 0.000 0.000 0.267 1389 G HA3 -0.389 3.571 3.960 0.000 0.000 0.267 1389 G C -0.041 174.896 174.900 0.062 0.000 1.002 1389 G CA 0.849 45.980 45.100 0.051 0.000 0.729 1389 G HN 0.925 nan 8.290 nan 0.000 0.517 1390 E N -1.834 118.399 120.200 0.054 0.000 2.722 1390 E HA -0.269 4.081 4.350 0.000 0.000 0.265 1390 E C 1.724 178.348 176.600 0.040 0.000 1.081 1390 E CA 0.578 57.014 56.400 0.060 0.000 0.781 1390 E CB -0.806 28.963 29.700 0.114 0.000 1.372 1390 E HN 0.545 nan 8.360 nan 0.000 0.423 1391 I N 0.484 121.066 120.570 0.020 0.000 2.179 1391 I HA -0.232 3.938 4.170 0.000 0.000 0.242 1391 I C 2.509 178.603 176.117 -0.039 0.000 1.088 1391 I CA 1.650 62.944 61.300 -0.010 0.000 1.357 1391 I CB -0.824 37.170 38.000 -0.009 0.000 1.051 1391 I HN 0.178 nan 8.210 nan 0.000 0.409 1392 K N 0.748 121.132 120.400 -0.026 0.000 2.097 1392 K HA -0.192 4.128 4.320 0.000 0.000 0.205 1392 K C 1.642 178.219 176.600 -0.039 0.000 1.050 1392 K CA 1.503 57.768 56.287 -0.037 0.000 0.938 1392 K CB 0.071 32.556 32.500 -0.024 0.000 0.718 1392 K HN 0.214 nan 8.250 nan 0.000 0.442 1393 D N -0.198 120.191 120.400 -0.018 0.000 2.117 1393 D HA -0.113 4.527 4.640 0.000 0.000 0.197 1393 D C 1.812 178.098 176.300 -0.024 0.000 0.987 1393 D CA 1.395 55.387 54.000 -0.012 0.000 0.829 1393 D CB -0.454 40.354 40.800 0.013 0.000 0.961 1393 D HN 0.450 nan 8.370 nan 0.000 0.460 1394 G N 0.945 109.731 108.800 -0.023 0.000 2.408 1394 G HA2 -0.207 3.754 3.960 0.000 0.000 0.217 1394 G HA3 -0.207 3.754 3.960 0.000 0.000 0.217 1394 G C 1.603 176.383 174.900 -0.200 0.000 1.150 1394 G CA 0.535 45.607 45.100 -0.047 0.000 0.776 1394 G HN 0.242 nan 8.290 nan 0.000 0.542 1395 L N 0.690 121.796 121.223 -0.196 0.000 2.046 1395 L HA -0.002 4.339 4.340 0.000 0.000 0.208 1395 L C 2.492 179.272 176.870 -0.150 0.000 1.077 1395 L CA 1.905 56.621 54.840 -0.208 0.000 0.747 1395 L CB -0.435 41.538 42.059 -0.144 0.000 0.896 1395 L HN 0.093 nan 8.230 nan 0.000 0.432 1396 E N -0.405 119.736 120.200 -0.099 0.000 2.110 1396 E HA -0.151 4.199 4.350 0.000 0.000 0.193 1396 E C 2.359 178.914 176.600 -0.075 0.000 0.988 1396 E CA 1.440 57.798 56.400 -0.070 0.000 0.804 1396 E CB -0.598 29.077 29.700 -0.042 0.000 0.745 1396 E HN 0.447 nan 8.360 nan 0.000 0.458 1397 V N 1.322 121.184 119.914 -0.087 0.000 2.343 1397 V HA -0.258 3.862 4.120 0.000 0.000 0.247 1397 V C 2.359 178.364 176.094 -0.149 0.000 1.051 1397 V CA 1.471 63.719 62.300 -0.088 0.000 1.036 1397 V CB -0.404 31.376 31.823 -0.071 0.000 0.654 1397 V HN 0.261 nan 8.190 nan 0.000 0.451 1398 M N -0.873 118.593 119.600 -0.223 0.000 2.175 1398 M HA -0.064 4.416 4.480 0.000 0.000 0.264 1398 M C 2.159 178.379 176.300 -0.133 0.000 1.063 1398 M CA 1.696 56.848 55.300 -0.246 0.000 1.119 1398 M CB -1.006 31.412 32.600 -0.303 0.000 1.377 1398 M HN 0.291 nan 8.290 nan 0.000 0.415 1399 L N -1.079 120.081 121.223 -0.104 0.000 2.156 1399 L HA -0.128 4.212 4.340 0.000 0.000 0.208 1399 L C 2.602 179.451 176.870 -0.036 0.000 1.095 1399 L CA 0.802 55.606 54.840 -0.061 0.000 0.770 1399 L CB -0.596 41.430 42.059 -0.055 0.000 0.914 1399 L HN 0.281 nan 8.230 nan 0.000 0.439 1400 S N -0.606 115.071 115.700 -0.038 0.000 2.447 1400 S HA -0.102 4.368 4.470 0.000 0.000 0.233 1400 S C 1.938 176.545 174.600 0.012 0.000 1.006 1400 S CA 0.647 58.838 58.200 -0.016 0.000 0.957 1400 S CB -0.034 63.157 63.200 -0.016 0.000 0.773 1400 S HN 0.173 nan 8.310 nan 0.000 0.507 1401 V N 2.745 122.668 119.914 0.015 0.000 2.237 1401 V HA -0.074 4.047 4.120 0.000 0.000 0.245 1401 V C -0.577 175.571 176.094 0.090 0.000 1.046 1401 V CA 1.941 64.283 62.300 0.070 0.000 1.007 1401 V CB -1.624 30.244 31.823 0.076 0.000 0.638 1401 V HN 0.406 nan 8.190 nan 0.000 0.445 1402 P HA -0.123 nan 4.420 nan 0.000 0.219 1402 P C 1.708 179.051 177.300 0.071 0.000 1.150 1402 P CA 1.134 64.283 63.100 0.081 0.000 0.814 1402 P CB -0.057 31.679 31.700 0.059 0.000 0.787 1403 K N 0.481 120.909 120.400 0.047 0.000 2.026 1403 K HA -0.106 4.214 4.320 0.000 0.000 0.208 1403 K C 2.008 178.637 176.600 0.049 0.000 1.048 1403 K CA 1.416 57.725 56.287 0.037 0.000 0.929 1403 K CB -0.264 32.238 32.500 0.004 0.000 0.713 1403 K HN 0.064 nan 8.250 nan 0.000 0.439 1404 R N -0.095 120.435 120.500 0.050 0.000 2.115 1404 R HA -0.040 4.301 4.340 0.000 0.000 0.230 1404 R C 2.356 178.713 176.300 0.095 0.000 1.111 1404 R CA 0.974 57.110 56.100 0.061 0.000 0.976 1404 R CB -0.282 30.054 30.300 0.060 0.000 0.870 1404 R HN 0.194 nan 8.270 nan 0.000 0.445 1405 A N 1.682 124.566 122.820 0.107 0.000 1.902 1405 A HA -0.239 4.081 4.320 0.000 0.000 0.217 1405 A C 1.936 179.590 177.584 0.118 0.000 1.181 1405 A CA 1.816 53.923 52.037 0.116 0.000 0.623 1405 A CB -0.618 18.457 19.000 0.125 0.000 0.818 1405 A HN 0.332 nan 8.150 nan 0.000 0.443 1406 N N 0.059 118.834 118.700 0.124 0.000 2.142 1406 N HA -0.151 4.589 4.740 0.000 0.000 0.186 1406 N C 1.167 176.832 175.510 0.258 0.000 1.023 1406 N CA 1.748 54.898 53.050 0.167 0.000 0.852 1406 N CB -0.250 38.335 38.487 0.164 0.000 0.998 1406 N HN 0.374 nan 8.380 nan 0.000 0.424 1407 D N 0.009 120.529 120.400 0.200 0.000 2.123 1407 D HA -0.128 4.512 4.640 0.000 0.000 0.196 1407 D C 1.766 178.228 176.300 0.271 0.000 0.992 1407 D CA 1.424 55.556 54.000 0.220 0.000 0.833 1407 D CB -0.631 40.230 40.800 0.101 0.000 0.954 1407 D HN 0.452 nan 8.370 nan 0.000 0.455 1408 A N 0.720 123.655 122.820 0.191 0.000 1.969 1408 A HA -0.133 4.188 4.320 0.000 0.000 0.218 1408 A C 2.146 179.828 177.584 0.163 0.000 1.169 1408 A CA 1.334 53.474 52.037 0.171 0.000 0.635 1408 A CB -0.567 18.509 19.000 0.127 0.000 0.810 1408 A HN 0.227 nan 8.150 nan 0.000 0.445 1409 M N -1.243 118.439 119.600 0.137 0.000 2.117 1409 M HA -0.172 4.308 4.480 0.000 0.000 0.262 1409 M C 2.056 178.392 176.300 0.060 0.000 1.065 1409 M CA 1.743 57.073 55.300 0.049 0.000 1.114 1409 M CB -0.467 32.114 32.600 -0.031 0.000 1.361 1409 M HN 0.560 nan 8.290 nan 0.000 0.408 1410 H N -0.179 119.035 119.070 0.240 0.000 2.389 1410 H HA -0.125 4.431 4.556 0.000 0.000 0.299 1410 H C 2.063 177.697 175.328 0.510 0.000 1.081 1410 H CA 1.642 57.929 56.048 0.399 0.000 1.345 1410 H CB -0.303 29.685 29.762 0.377 0.000 1.393 1410 H HN 0.365 nan 8.280 nan 0.000 0.520 1411 L N 0.856 122.378 121.223 0.498 0.000 2.131 1411 L HA -0.096 4.245 4.340 0.000 0.000 0.210 1411 L C 2.155 179.091 176.870 0.109 0.000 1.092 1411 L CA 1.259 56.199 54.840 0.167 0.000 0.759 1411 L CB -0.500 41.633 42.059 0.123 0.000 0.903 1411 L HN -0.044 nan 8.230 nan 0.000 0.435 1412 S N -0.757 115.025 115.700 0.137 0.000 2.469 1412 S HA -0.100 4.370 4.470 0.000 0.000 0.238 1412 S C 1.707 176.357 174.600 0.083 0.000 0.998 1412 S CA 1.407 59.657 58.200 0.084 0.000 0.957 1412 S CB -0.338 62.895 63.200 0.055 0.000 0.764 1412 S HN 0.496 nan 8.310 nan 0.000 0.514 1413 M N 0.587 120.272 119.600 0.142 0.000 2.556 1413 M HA 0.178 4.658 4.480 0.000 0.000 0.245 1413 M C 0.166 176.569 176.300 0.172 0.000 1.128 1413 M CA 0.060 55.413 55.300 0.089 0.000 1.069 1413 M CB -0.046 32.536 32.600 -0.029 0.000 1.469 1413 M HN 0.165 nan 8.290 nan 0.000 0.494 1414 L N 1.895 123.257 121.223 0.231 0.000 2.410 1414 L HA 0.159 4.499 4.340 0.000 0.000 0.273 1414 L C 0.053 177.016 176.870 0.156 0.000 1.144 1414 L CA 0.550 55.519 54.840 0.215 0.000 0.863 1414 L CB 0.222 42.280 42.059 -0.001 0.000 1.140 1414 L HN 0.095 nan 8.230 nan 0.000 0.463 1415 E N 3.721 124.031 120.200 0.183 0.000 2.212 1415 E HA 0.552 4.902 4.350 0.000 0.000 0.268 1415 E C 0.531 177.251 176.600 0.200 0.000 0.902 1415 E CA -0.108 56.380 56.400 0.147 0.000 0.779 1415 E CB 1.264 31.028 29.700 0.107 0.000 1.172 1415 E HN 0.874 nan 8.360 nan 0.000 0.409 1416 G N 3.402 112.300 108.800 0.163 0.000 2.157 1416 G HA2 -0.275 3.685 3.960 0.000 0.000 0.248 1416 G HA3 -0.275 3.685 3.960 0.000 0.000 0.248 1416 G C -0.336 174.685 174.900 0.201 0.000 0.979 1416 G CA 0.148 45.365 45.100 0.194 0.000 0.650 1416 G HN 0.447 nan 8.290 nan 0.000 0.529 1417 F N 3.275 123.151 119.950 -0.123 0.000 2.406 1417 F HA 0.448 4.975 4.527 0.001 0.000 0.358 1417 F C -0.093 175.528 175.800 -0.299 0.000 1.161 1417 F CA -2.209 55.507 58.000 -0.473 0.000 1.185 1417 F CB 0.315 39.036 39.000 -0.464 0.000 1.421 1417 F HN 0.047 nan 8.300 nan 0.000 0.576 1418 D N 5.603 125.782 120.400 -0.368 0.000 2.619 1418 D HA 0.099 4.739 4.640 0.000 0.000 0.224 1418 D C -0.085 175.892 176.300 -0.537 0.000 1.133 1418 D CA 0.426 54.220 54.000 -0.342 0.000 1.017 1418 D CB 0.183 40.890 40.800 -0.155 0.000 1.077 1418 D HN 0.628 nan 8.370 nan 0.000 0.503 1419 E N 0.827 120.537 120.200 -0.817 0.000 2.380 1419 E HA 0.068 4.418 4.350 0.000 0.000 0.281 1419 E C -1.047 175.170 176.600 -0.638 0.000 0.999 1419 E CA -0.761 55.171 56.400 -0.781 0.000 0.800 1419 E CB 1.905 30.918 29.700 -1.145 0.000 1.228 1419 E HN 0.046 nan 8.360 nan 0.000 0.436 1420 N N 4.530 123.006 118.700 -0.374 0.000 2.452 1420 N HA -0.013 4.728 4.740 0.000 0.000 0.266 1420 N C 1.050 176.412 175.510 -0.247 0.000 1.209 1420 N CA 0.042 52.944 53.050 -0.248 0.000 0.929 1420 N CB 0.557 38.952 38.487 -0.153 0.000 1.063 1420 N HN 0.493 nan 8.380 nan 0.000 0.472 1421 I N 3.646 124.104 120.570 -0.187 0.000 2.315 1421 I HA -0.202 3.968 4.170 0.000 0.000 0.248 1421 I C 1.636 177.677 176.117 -0.128 0.000 1.117 1421 I CA 1.167 62.378 61.300 -0.148 0.000 1.404 1421 I CB -0.898 37.079 38.000 -0.039 0.000 1.071 1421 I HN 0.561 nan 8.210 nan 0.000 0.419 1422 E N 0.778 120.936 120.200 -0.070 0.000 2.160 1422 E HA -0.138 4.212 4.350 0.000 0.000 0.195 1422 E C 2.261 178.837 176.600 -0.041 0.000 0.991 1422 E CA 1.115 57.496 56.400 -0.031 0.000 0.810 1422 E CB -0.418 29.270 29.700 -0.019 0.000 0.742 1422 E HN 0.261 nan 8.360 nan 0.000 0.466 1423 S N 0.648 116.304 115.700 -0.072 0.000 2.507 1423 S HA -0.084 4.387 4.470 0.000 0.000 0.235 1423 S C 1.340 175.912 174.600 -0.046 0.000 0.988 1423 S CA 0.526 58.695 58.200 -0.051 0.000 0.944 1423 S CB -0.031 63.133 63.200 -0.061 0.000 0.762 1423 S HN 0.229 nan 8.310 nan 0.000 0.526 1424 Q N 0.530 120.254 119.800 -0.127 0.000 2.424 1424 Q HA 0.283 4.623 4.340 0.000 0.000 0.204 1424 Q C 1.300 177.309 176.000 0.015 0.000 0.933 1424 Q CA 0.485 56.190 55.803 -0.163 0.000 0.929 1424 Q CB -0.380 27.916 28.738 -0.737 0.000 1.037 1424 Q HN 0.500 nan 8.270 nan 0.000 0.511 1425 G N 1.628 110.457 108.800 0.048 0.000 2.728 1425 G HA2 -0.263 3.698 3.960 0.000 0.000 0.294 1425 G HA3 -0.263 3.698 3.960 0.000 0.000 0.294 1425 G C -0.830 174.204 174.900 0.223 0.000 1.342 1425 G CA -0.304 44.869 45.100 0.122 0.000 0.866 1425 G HN 0.254 nan 8.290 nan 0.000 0.534 1426 E N -0.996 119.319 120.200 0.191 0.000 2.392 1426 E HA 0.348 4.698 4.350 0.000 0.000 0.264 1426 E C 0.441 177.187 176.600 0.243 0.000 1.024 1426 E CA -0.691 55.827 56.400 0.197 0.000 0.903 1426 E CB 0.573 30.335 29.700 0.104 0.000 0.963 1426 E HN 0.814 nan 8.360 nan 0.000 0.432 1427 L N 5.717 127.051 121.223 0.185 0.000 2.361 1427 L HA 0.167 4.507 4.340 0.000 0.000 0.278 1427 L C 0.114 176.896 176.870 -0.147 0.000 1.113 1427 L CA 0.644 55.410 54.840 -0.123 0.000 0.849 1427 L CB 0.541 42.525 42.059 -0.126 0.000 1.155 1427 L HN 0.740 nan 8.230 nan 0.000 0.452 1428 I N 4.345 124.761 120.570 -0.256 0.000 2.729 1428 I HA 0.118 4.288 4.170 0.000 0.000 0.256 1428 I C 0.111 175.959 176.117 -0.449 0.000 1.115 1428 I CA 0.303 61.416 61.300 -0.311 0.000 1.446 1428 I CB 0.067 37.876 38.000 -0.318 0.000 1.176 1428 I HN 0.401 nan 8.210 nan 0.000 0.446 1429 L N 0.385 121.293 121.223 -0.525 0.000 2.415 1429 L HA 0.450 4.790 4.340 0.000 0.000 0.256 1429 L C -1.690 174.992 176.870 -0.313 0.000 1.010 1429 L CA -0.805 53.702 54.840 -0.555 0.000 0.826 1429 L CB 2.182 43.554 42.059 -1.144 0.000 1.405 1429 L HN 0.083 nan 8.230 nan 0.000 0.410 1430 Q N 0.641 120.368 119.800 -0.120 0.000 2.309 1430 Q HA 0.826 5.166 4.340 0.000 0.000 0.273 1430 Q C -1.231 174.648 176.000 -0.201 0.000 1.040 1430 Q CA -0.745 54.923 55.803 -0.225 0.000 0.834 1430 Q CB 2.837 31.334 28.738 -0.402 0.000 1.345 1430 Q HN 0.444 nan 8.270 nan 0.000 0.414 1431 E N 0.628 120.489 120.200 -0.565 0.000 2.396 1431 E HA 0.597 4.947 4.350 0.000 0.000 0.280 1431 E C -1.499 174.442 176.600 -1.099 0.000 1.065 1431 E CA -0.393 55.590 56.400 -0.696 0.000 0.831 1431 E CB 1.977 31.480 29.700 -0.328 0.000 1.272 1431 E HN 0.603 nan 8.360 nan 0.000 0.443 1432 S N 1.705 116.886 115.700 -0.865 0.000 2.554 1432 S HA 0.792 5.263 4.470 0.000 0.000 0.278 1432 S C -1.054 173.092 174.600 -0.758 0.000 1.242 1432 S CA -0.314 57.547 58.200 -0.566 0.000 1.051 1432 S CB 0.161 63.247 63.200 -0.189 0.000 0.986 1432 S HN 0.327 nan 8.310 nan 0.000 0.502 1433 F N 0.642 120.412 119.950 -0.301 0.000 2.643 1433 F HA 0.424 4.952 4.527 0.000 0.000 0.314 1433 F C 0.035 175.742 175.800 -0.155 0.000 1.096 1433 F CA -0.915 56.945 58.000 -0.232 0.000 0.953 1433 F CB 1.698 40.520 39.000 -0.298 0.000 1.345 1433 F HN 0.378 nan 8.300 nan 0.000 0.468 1434 Q N 1.692 121.553 119.800 0.101 0.000 2.278 1434 Q HA 0.695 5.035 4.340 0.000 0.000 0.257 1434 Q C -1.798 174.184 176.000 -0.031 0.000 0.928 1434 Q CA -0.479 55.286 55.803 -0.064 0.000 0.932 1434 Q CB 1.553 30.235 28.738 -0.094 0.000 1.221 1434 Q HN 0.573 nan 8.270 nan 0.000 0.434 1435 V N 4.436 124.242 119.914 -0.180 0.000 2.540 1435 V HA 0.415 4.536 4.120 0.000 0.000 0.302 1435 V C -0.817 175.168 176.094 -0.182 0.000 1.035 1435 V CA -0.815 61.459 62.300 -0.043 0.000 0.873 1435 V CB 1.717 33.548 31.823 0.013 0.000 0.992 1435 V HN 0.799 nan 8.190 nan 0.000 0.428 1436 W N 2.484 123.732 121.300 -0.086 0.000 2.314 1436 W HA 0.473 5.133 4.660 0.000 0.000 0.310 1436 W C -0.723 175.737 176.519 -0.099 0.000 1.075 1436 W CA -0.400 56.898 57.345 -0.080 0.000 1.253 1436 W CB 1.931 31.346 29.460 -0.075 0.000 1.238 1436 W HN 0.600 nan 8.180 nan 0.000 0.440 1437 D N 4.340 124.764 120.400 0.040 0.000 2.192 1437 D HA 0.201 4.841 4.640 0.000 0.000 0.246 1437 D C -1.326 174.969 176.300 -0.009 0.000 1.042 1437 D CA -1.307 52.674 54.000 -0.033 0.000 0.847 1437 D CB 2.304 43.046 40.800 -0.097 0.000 1.186 1437 D HN 0.097 nan 8.370 nan 0.000 0.461 1438 P HA -0.003 nan 4.420 nan 0.000 0.245 1438 P C 0.684 177.970 177.300 -0.024 0.000 1.206 1438 P CA 0.302 63.396 63.100 -0.010 0.000 0.781 1438 P CB 0.580 32.274 31.700 -0.010 0.000 0.994 1439 K N 0.205 120.578 120.400 -0.046 0.000 2.323 1439 K HA 0.079 4.400 4.320 0.000 0.000 0.197 1439 K C 1.217 177.791 176.600 -0.044 0.000 1.043 1439 K CA 0.620 56.879 56.287 -0.048 0.000 0.997 1439 K CB -0.690 31.768 32.500 -0.069 0.000 0.807 1439 K HN 0.280 nan 8.250 nan 0.000 0.497 1440 T N -0.242 114.283 114.554 -0.048 0.000 2.898 1440 T HA 0.086 4.436 4.350 0.000 0.000 0.301 1440 T C 1.373 176.056 174.700 -0.029 0.000 1.049 1440 T CA -0.544 61.530 62.100 -0.044 0.000 1.095 1440 T CB 0.970 69.804 68.868 -0.056 0.000 0.976 1440 T HN -0.133 nan 8.240 nan 0.000 0.539 1441 L N 1.403 122.611 121.223 -0.025 0.000 2.042 1441 L HA 0.251 4.591 4.340 0.000 0.000 0.210 1441 L C 0.748 177.610 176.870 -0.013 0.000 1.076 1441 L CA 1.604 56.434 54.840 -0.017 0.000 0.749 1441 L CB -0.482 41.567 42.059 -0.016 0.000 0.893 1441 L HN 0.721 nan 8.230 nan 0.000 0.432 1442 I N 0.060 120.620 120.570 -0.018 0.000 2.378 1442 I HA 0.242 4.412 4.170 0.000 0.000 0.291 1442 I C 0.197 176.306 176.117 -0.013 0.000 0.992 1442 I CA -0.586 60.707 61.300 -0.012 0.000 1.154 1442 I CB 1.449 39.438 38.000 -0.017 0.000 1.315 1442 I HN -0.011 nan 8.210 nan 0.000 0.448 1443 R N 7.904 128.412 120.500 0.014 0.000 2.267 1443 R HA 0.404 4.744 4.340 0.000 0.000 0.319 1443 R C -0.921 175.412 176.300 0.055 0.000 1.067 1443 R CA -0.094 56.033 56.100 0.046 0.000 0.936 1443 R CB 0.536 30.891 30.300 0.091 0.000 1.006 1443 R HN 0.790 nan 8.270 nan 0.000 0.452 1444 K N 1.497 121.862 120.400 -0.058 0.000 2.658 1444 K HA 0.332 4.652 4.320 0.000 0.000 0.293 1444 K C -1.036 175.060 176.600 -0.840 0.000 1.026 1444 K CA -1.064 55.089 56.287 -0.223 0.000 0.871 1444 K CB 0.764 33.177 32.500 -0.145 0.000 1.524 1444 K HN 0.502 nan 8.250 nan 0.000 0.400 1445 G N 1.583 109.578 108.800 -1.341 0.000 2.358 1445 G HA2 0.383 4.343 3.960 0.000 0.000 0.273 1445 G HA3 0.383 4.343 3.960 0.000 0.000 0.273 1445 G C -0.719 173.698 174.900 -0.806 0.000 1.215 1445 G CA -0.546 43.421 45.100 -1.889 0.000 0.910 1445 G HN 0.389 nan 8.290 nan 0.000 0.467 1446 R N 1.627 121.785 120.500 -0.570 0.000 2.740 1446 R HA 0.304 4.645 4.340 0.000 0.000 0.282 1446 R C -0.753 175.427 176.300 -0.199 0.000 0.969 1446 R CA -0.977 54.946 56.100 -0.295 0.000 0.918 1446 R CB 2.098 32.276 30.300 -0.203 0.000 1.175 1446 R HN 0.503 nan 8.270 nan 0.000 0.464 1447 E N 2.054 122.183 120.200 -0.118 0.000 2.392 1447 E HA 0.086 4.436 4.350 0.000 0.000 0.264 1447 E C -0.624 175.978 176.600 0.003 0.000 1.024 1447 E CA 0.387 56.756 56.400 -0.052 0.000 0.903 1447 E CB 0.586 30.273 29.700 -0.022 0.000 0.963 1447 E HN 0.219 nan 8.360 nan 0.000 0.432 1448 R N 2.373 122.893 120.500 0.033 0.000 2.668 1448 R HA 0.284 4.624 4.340 0.000 0.000 0.272 1448 R C -1.338 174.981 176.300 0.032 0.000 1.019 1448 R CA -0.888 55.259 56.100 0.079 0.000 0.894 1448 R CB 1.392 31.773 30.300 0.136 0.000 1.228 1448 R HN 0.646 nan 8.270 nan 0.000 0.460 1449 H N 1.238 120.256 119.070 -0.086 0.000 2.511 1449 H HA 0.494 5.051 4.556 0.000 0.000 0.328 1449 H C -0.871 174.228 175.328 -0.382 0.000 1.044 1449 H CA -0.446 55.409 56.048 -0.323 0.000 1.212 1449 H CB 0.779 30.179 29.762 -0.604 0.000 1.428 1449 H HN 0.189 nan 8.280 nan 0.000 0.483 1450 L N 5.259 126.082 121.223 -0.667 0.000 2.334 1450 L HA 0.378 4.719 4.340 0.000 0.000 0.275 1450 L C -0.980 175.564 176.870 -0.544 0.000 1.036 1450 L CA -0.167 54.357 54.840 -0.527 0.000 0.807 1450 L CB 0.786 42.479 42.059 -0.611 0.000 1.231 1450 L HN 0.612 nan 8.230 nan 0.000 0.438 1451 F N 3.404 123.280 119.950 -0.123 0.000 2.445 1451 F HA 0.446 4.974 4.527 0.001 0.000 0.348 1451 F C -0.361 175.293 175.800 -0.244 0.000 1.125 1451 F CA -0.667 57.217 58.000 -0.192 0.000 0.983 1451 F CB 1.537 40.396 39.000 -0.235 0.000 1.198 1451 F HN 0.132 nan 8.300 nan 0.000 0.436 1452 L N 5.272 126.401 121.223 -0.156 0.000 2.257 1452 L HA 0.586 4.927 4.340 0.000 0.000 0.290 1452 L C -1.344 175.344 176.870 -0.302 0.000 1.044 1452 L CA -0.051 54.688 54.840 -0.169 0.000 0.810 1452 L CB -0.262 41.599 42.059 -0.329 0.000 1.193 1452 L HN 0.355 nan 8.230 nan 0.000 0.425 1453 F N 2.311 122.285 119.950 0.039 0.000 2.518 1453 F HA 0.413 4.940 4.527 0.000 0.000 0.338 1453 F C 1.528 177.349 175.800 0.035 0.000 1.065 1453 F CA -0.410 57.617 58.000 0.045 0.000 1.012 1453 F CB 0.965 40.012 39.000 0.079 0.000 1.297 1453 F HN 0.535 nan 8.300 nan 0.000 0.489 1454 E N -0.042 120.315 120.200 0.260 0.000 2.110 1454 E HA -0.147 4.203 4.350 0.000 0.000 0.193 1454 E C 1.561 178.261 176.600 0.165 0.000 0.988 1454 E CA 1.305 57.799 56.400 0.156 0.000 0.804 1454 E CB -0.018 29.756 29.700 0.125 0.000 0.745 1454 E HN 0.449 nan 8.360 nan 0.000 0.458 1455 M N -0.198 119.526 119.600 0.207 0.000 2.461 1455 M HA 0.129 4.610 4.480 0.000 0.000 0.255 1455 M C 0.648 177.108 176.300 0.266 0.000 1.137 1455 M CA 0.350 55.776 55.300 0.210 0.000 1.086 1455 M CB 0.398 33.110 32.600 0.187 0.000 1.356 1455 M HN -0.069 nan 8.290 nan 0.000 0.487 1456 S N 0.375 116.235 115.700 0.267 0.000 2.588 1456 S HA 0.694 5.165 4.470 0.000 0.000 0.269 1456 S C -1.307 173.458 174.600 0.275 0.000 1.157 1456 S CA -1.046 57.292 58.200 0.231 0.000 0.824 1456 S CB 2.386 65.674 63.200 0.146 0.000 1.126 1456 S HN 0.138 nan 8.310 nan 0.000 0.464 1457 L N 1.802 123.146 121.223 0.200 0.000 2.343 1457 L HA 0.779 5.120 4.340 0.000 0.000 0.278 1457 L C -1.408 175.550 176.870 0.147 0.000 0.996 1457 L CA -0.519 54.415 54.840 0.157 0.000 0.831 1457 L CB 1.462 43.588 42.059 0.111 0.000 1.232 1457 L HN 0.690 nan 8.230 nan 0.000 0.413 1458 V N 5.795 125.799 119.914 0.150 0.000 2.427 1458 V HA 0.456 4.576 4.120 0.000 0.000 0.286 1458 V C -0.392 175.725 176.094 0.039 0.000 1.034 1458 V CA -0.237 62.162 62.300 0.166 0.000 0.893 1458 V CB 1.303 33.208 31.823 0.138 0.000 0.982 1458 V HN 0.538 nan 8.190 nan 0.000 0.452 1459 F N 3.232 123.222 119.950 0.067 0.000 2.421 1459 F HA 0.697 5.224 4.527 0.000 0.000 0.337 1459 F C 0.602 176.412 175.800 0.017 0.000 1.105 1459 F CA -0.100 57.906 58.000 0.011 0.000 1.049 1459 F CB 2.028 40.984 39.000 -0.073 0.000 1.139 1459 F HN 0.570 nan 8.300 nan 0.000 0.479 1460 S N 2.393 118.232 115.700 0.231 0.000 2.638 1460 S HA 0.636 5.106 4.470 0.000 0.000 0.274 1460 S C -1.399 173.335 174.600 0.225 0.000 1.157 1460 S CA -1.129 57.215 58.200 0.240 0.000 0.826 1460 S CB 2.312 65.746 63.200 0.390 0.000 1.139 1460 S HN 0.627 nan 8.310 nan 0.000 0.474 1461 K N 0.794 121.334 120.400 0.234 0.000 2.463 1461 K HA 0.333 4.653 4.320 0.000 0.000 0.255 1461 K C -0.909 175.854 176.600 0.271 0.000 0.942 1461 K CA -0.260 56.148 56.287 0.202 0.000 0.814 1461 K CB 1.706 34.272 32.500 0.110 0.000 1.122 1461 K HN 0.832 nan 8.250 nan 0.000 0.425 1462 E N 3.373 123.759 120.200 0.310 0.000 2.344 1462 E HA 0.178 4.528 4.350 0.000 0.000 0.270 1462 E C -0.736 175.919 176.600 0.093 0.000 1.021 1462 E CA -0.574 55.978 56.400 0.253 0.000 0.887 1462 E CB 0.885 30.753 29.700 0.281 0.000 0.997 1462 E HN 0.421 nan 8.360 nan 0.000 0.429 1463 V N 0.804 120.732 119.914 0.023 0.000 3.078 1463 V HA 0.641 4.761 4.120 0.000 0.000 0.311 1463 V C -0.994 175.080 176.094 -0.032 0.000 1.138 1463 V CA -1.084 61.219 62.300 0.005 0.000 1.007 1463 V CB 1.989 33.822 31.823 0.016 0.000 1.045 1463 V HN 0.605 nan 8.190 nan 0.000 0.432 1464 K N 1.422 121.808 120.400 -0.024 0.000 2.318 1464 K HA 0.601 4.921 4.320 0.000 0.000 0.249 1464 K C -1.094 175.491 176.600 -0.024 0.000 0.942 1464 K CA -0.652 55.615 56.287 -0.034 0.000 0.808 1464 K CB 2.015 34.497 32.500 -0.029 0.000 1.189 1464 K HN 1.034 nan 8.250 nan 0.000 0.428 1465 D N -0.376 120.007 120.400 -0.028 0.000 2.511 1465 D HA 0.033 4.673 4.640 0.000 0.000 0.276 1465 D C 1.017 177.307 176.300 -0.017 0.000 1.220 1465 D CA -0.490 53.498 54.000 -0.020 0.000 1.077 1465 D CB 0.277 41.064 40.800 -0.021 0.000 1.126 1465 D HN 0.366 nan 8.370 nan 0.000 0.583 1466 S N -0.628 115.064 115.700 -0.014 0.000 2.374 1466 S HA -0.261 4.209 4.470 0.000 0.000 0.227 1466 S C 1.823 176.415 174.600 -0.013 0.000 1.037 1466 S CA 1.470 59.663 58.200 -0.012 0.000 1.024 1466 S CB -1.212 61.983 63.200 -0.009 0.000 0.861 1466 S HN 0.630 nan 8.310 nan 0.000 0.456 1467 S N 0.513 116.203 115.700 -0.016 0.000 2.603 1467 S HA 0.425 4.895 4.470 0.000 0.000 0.220 1467 S C 1.517 176.105 174.600 -0.020 0.000 0.967 1467 S CA 0.485 58.675 58.200 -0.017 0.000 0.920 1467 S CB -0.581 62.608 63.200 -0.018 0.000 0.773 1467 S HN 1.610 nan 8.310 nan 0.000 0.529 1468 G N 1.413 110.199 108.800 -0.022 0.000 2.141 1468 G HA2 -0.242 3.719 3.960 0.000 0.000 0.242 1468 G HA3 -0.242 3.719 3.960 0.000 0.000 0.242 1468 G C -0.023 174.855 174.900 -0.037 0.000 0.982 1468 G CA -0.251 44.833 45.100 -0.026 0.000 0.662 1468 G HN 0.605 nan 8.290 nan 0.000 0.527 1469 R N 0.848 121.322 120.500 -0.043 0.000 2.347 1469 R HA 0.482 4.822 4.340 0.000 0.000 0.304 1469 R C 0.125 176.375 176.300 -0.082 0.000 1.072 1469 R CA 0.003 56.067 56.100 -0.060 0.000 0.980 1469 R CB 0.939 31.207 30.300 -0.055 0.000 0.986 1469 R HN 0.191 nan 8.270 nan 0.000 0.448 1470 S N 2.568 118.197 115.700 -0.118 0.000 2.586 1470 S HA 0.305 4.776 4.470 0.000 0.000 0.274 1470 S C -0.055 174.383 174.600 -0.271 0.000 1.281 1470 S CA -0.658 57.430 58.200 -0.186 0.000 1.035 1470 S CB 0.974 64.040 63.200 -0.223 0.000 0.962 1470 S HN 0.561 nan 8.310 nan 0.000 0.512 1471 K N 0.571 120.784 120.400 -0.311 0.000 2.533 1471 K HA 0.551 4.872 4.320 0.000 0.000 0.272 1471 K C -2.092 174.299 176.600 -0.349 0.000 0.985 1471 K CA -0.913 55.183 56.287 -0.318 0.000 0.876 1471 K CB 0.908 33.341 32.500 -0.112 0.000 1.452 1471 K HN 0.418 nan 8.250 nan 0.000 0.439 1472 Y N 1.103 121.462 120.300 0.097 0.000 2.328 1472 Y HA 0.373 4.923 4.550 0.000 0.000 0.336 1472 Y C -0.419 175.574 175.900 0.154 0.000 0.960 1472 Y CA -1.010 57.177 58.100 0.146 0.000 1.134 1472 Y CB 1.497 40.109 38.460 0.253 0.000 1.166 1472 Y HN 0.308 nan 8.280 nan 0.000 0.464 1473 L N 4.569 125.957 121.223 0.276 0.000 2.281 1473 L HA 0.206 4.546 4.340 0.000 0.000 0.285 1473 L C -0.184 176.835 176.870 0.249 0.000 1.074 1473 L CA -0.825 54.146 54.840 0.218 0.000 0.817 1473 L CB 0.262 42.404 42.059 0.139 0.000 1.168 1473 L HN 0.580 nan 8.230 nan 0.000 0.434 1474 Y N 4.822 125.216 120.300 0.156 0.000 2.620 1474 Y HA -0.052 4.499 4.550 0.001 0.000 0.330 1474 Y C 0.791 176.766 175.900 0.125 0.000 1.186 1474 Y CA 0.484 58.665 58.100 0.136 0.000 1.467 1474 Y CB 0.459 39.015 38.460 0.161 0.000 1.262 1474 Y HN 0.514 nan 8.280 nan 0.000 0.550 1475 K N 3.029 123.022 120.400 -0.678 0.000 2.309 1475 K HA 0.232 4.552 4.320 0.000 0.000 0.210 1475 K C -0.131 175.980 176.600 -0.816 0.000 1.114 1475 K CA 1.035 56.997 56.287 -0.542 0.000 0.912 1475 K CB -0.154 32.232 32.500 -0.189 0.000 1.198 1475 K HN 0.707 nan 8.250 nan 0.000 0.471 1476 S N 0.142 115.411 115.700 -0.718 0.000 2.661 1476 S HA 0.589 5.059 4.470 0.000 0.000 0.268 1476 S C -1.568 173.078 174.600 0.076 0.000 1.162 1476 S CA -0.967 57.034 58.200 -0.330 0.000 0.817 1476 S CB 2.403 65.486 63.200 -0.196 0.000 1.141 1476 S HN 0.167 nan 8.310 nan 0.000 0.477 1477 K N -0.085 120.416 120.400 0.168 0.000 2.532 1477 K HA 0.790 5.110 4.320 0.000 0.000 0.265 1477 K C -1.895 174.725 176.600 0.032 0.000 0.948 1477 K CA -1.081 55.318 56.287 0.187 0.000 0.842 1477 K CB 1.501 34.104 32.500 0.171 0.000 1.392 1477 K HN 0.623 nan 8.250 nan 0.000 0.436 1478 L N 1.989 123.242 121.223 0.051 0.000 2.370 1478 L HA 0.540 4.880 4.340 0.000 0.000 0.266 1478 L C -0.965 175.868 176.870 -0.062 0.000 1.002 1478 L CA -1.148 53.688 54.840 -0.006 0.000 0.818 1478 L CB 1.466 43.612 42.059 0.144 0.000 1.325 1478 L HN 0.561 nan 8.230 nan 0.000 0.418 1479 F N 0.099 120.121 119.950 0.119 0.000 2.427 1479 F HA 0.122 4.650 4.527 0.000 0.000 0.352 1479 F C 1.765 177.609 175.800 0.074 0.000 1.100 1479 F CA -0.339 57.719 58.000 0.097 0.000 1.191 1479 F CB 1.320 40.363 39.000 0.071 0.000 1.128 1479 F HN 0.607 nan 8.300 nan 0.000 0.533 1480 T N -2.406 112.307 114.554 0.264 0.000 2.881 1480 T HA -0.189 4.161 4.350 0.000 0.000 0.270 1480 T C 2.015 176.782 174.700 0.111 0.000 1.068 1480 T CA 1.234 63.427 62.100 0.155 0.000 1.131 1480 T CB -0.542 68.406 68.868 0.134 0.000 0.871 1480 T HN 0.583 nan 8.240 nan 0.000 0.479 1481 S N 1.682 117.459 115.700 0.130 0.000 2.447 1481 S HA -0.046 4.425 4.470 0.000 0.000 0.233 1481 S C 1.657 176.281 174.600 0.040 0.000 1.006 1481 S CA 0.751 58.987 58.200 0.060 0.000 0.957 1481 S CB -0.410 62.806 63.200 0.026 0.000 0.773 1481 S HN 0.724 nan 8.310 nan 0.000 0.507 1482 E N 0.337 120.583 120.200 0.077 0.000 2.481 1482 E HA 0.327 4.677 4.350 0.000 0.000 0.198 1482 E C -0.182 176.385 176.600 -0.055 0.000 1.027 1482 E CA -0.312 56.112 56.400 0.040 0.000 0.900 1482 E CB 0.196 29.967 29.700 0.117 0.000 0.993 1482 E HN 0.507 nan 8.360 nan 0.000 0.482 1483 L N 0.854 122.035 121.223 -0.071 0.000 2.452 1483 L HA 0.305 4.646 4.340 0.000 0.000 0.267 1483 L C 0.657 177.272 176.870 -0.425 0.000 1.188 1483 L CA -0.285 54.437 54.840 -0.197 0.000 0.821 1483 L CB 0.773 42.784 42.059 -0.080 0.000 1.102 1483 L HN 0.007 nan 8.230 nan 0.000 0.470 1484 G N 1.164 109.476 108.800 -0.813 0.000 2.638 1484 G HA2 0.560 4.520 3.960 0.000 0.000 0.302 1484 G HA3 0.560 4.520 3.960 0.000 0.000 0.302 1484 G C -1.930 172.452 174.900 -0.863 0.000 1.365 1484 G CA -0.352 43.945 45.100 -1.339 0.000 0.987 1484 G HN 0.398 nan 8.290 nan 0.000 0.495 1485 V N 0.895 120.593 119.914 -0.361 0.000 2.709 1485 V HA 0.803 4.924 4.120 0.000 0.000 0.308 1485 V C -0.601 175.655 176.094 0.270 0.000 1.062 1485 V CA -0.438 61.897 62.300 0.058 0.000 0.901 1485 V CB 2.364 34.235 31.823 0.080 0.000 1.003 1485 V HN 0.778 nan 8.190 nan 0.000 0.425 1486 T N 5.275 120.051 114.554 0.370 0.000 2.772 1486 T HA 0.297 4.647 4.350 0.000 0.000 0.288 1486 T C 0.738 175.595 174.700 0.262 0.000 0.994 1486 T CA -0.016 62.276 62.100 0.321 0.000 0.951 1486 T CB 1.593 70.638 68.868 0.295 0.000 0.933 1486 T HN 0.907 nan 8.240 nan 0.000 0.447 1487 E N 2.292 122.617 120.200 0.208 0.000 2.072 1487 E HA -0.108 4.242 4.350 0.000 0.000 0.190 1487 E C 0.314 177.037 176.600 0.205 0.000 0.982 1487 E CA 0.713 57.224 56.400 0.184 0.000 0.803 1487 E CB 0.188 29.962 29.700 0.124 0.000 0.755 1487 E HN 0.683 nan 8.360 nan 0.000 0.453 1488 H N -0.074 119.054 119.070 0.097 0.000 2.517 1488 H HA 0.387 4.944 4.556 0.000 0.000 0.317 1488 H C -1.464 173.894 175.328 0.051 0.000 1.080 1488 H CA -0.589 55.499 56.048 0.067 0.000 1.301 1488 H CB 1.176 30.963 29.762 0.041 0.000 1.425 1488 H HN -0.145 nan 8.280 nan 0.000 0.471 1489 V N 5.276 124.848 119.914 -0.570 0.000 2.483 1489 V HA 0.123 4.243 4.120 0.000 0.000 0.297 1489 V C -0.157 175.555 176.094 -0.635 0.000 1.027 1489 V CA -1.054 60.963 62.300 -0.472 0.000 0.855 1489 V CB 1.285 32.964 31.823 -0.240 0.000 0.995 1489 V HN 0.848 nan 8.190 nan 0.000 0.424 1490 E N 3.432 123.335 120.200 -0.494 0.000 2.529 1490 E HA 0.342 4.692 4.350 0.000 0.000 0.259 1490 E C 1.227 177.728 176.600 -0.166 0.000 0.966 1490 E CA 1.629 57.883 56.400 -0.243 0.000 0.937 1490 E CB 0.438 30.089 29.700 -0.081 0.000 0.923 1490 E HN 1.048 nan 8.360 nan 0.000 0.468 1491 G N 3.762 112.512 108.800 -0.083 0.000 2.217 1491 G HA2 -0.245 3.715 3.960 0.000 0.000 0.246 1491 G HA3 -0.245 3.715 3.960 0.000 0.000 0.246 1491 G C -0.169 174.695 174.900 -0.060 0.000 0.990 1491 G CA 0.181 45.243 45.100 -0.063 0.000 0.627 1491 G HN 0.717 nan 8.290 nan 0.000 0.522 1492 D N -0.544 119.809 120.400 -0.078 0.000 2.452 1492 D HA 0.453 5.093 4.640 0.000 0.000 0.226 1492 D C -1.799 174.492 176.300 -0.015 0.000 1.366 1492 D CA -1.309 52.666 54.000 -0.042 0.000 0.986 1492 D CB 1.540 42.300 40.800 -0.066 0.000 1.420 1492 D HN -0.028 nan 8.370 nan 0.000 0.583 1493 P HA -0.004 nan 4.420 nan 0.000 0.221 1493 P C 1.119 178.468 177.300 0.083 0.000 1.145 1493 P CA 0.619 63.757 63.100 0.064 0.000 0.795 1493 P CB 0.334 32.072 31.700 0.064 0.000 0.775 1494 C N -1.144 118.205 119.300 0.082 0.000 2.618 1494 C HA 0.140 4.600 4.460 0.000 0.000 0.264 1494 C C 1.173 176.287 174.990 0.207 0.000 1.334 1494 C CA -0.046 59.052 59.018 0.132 0.000 1.731 1494 C CB -1.299 26.506 27.740 0.109 0.000 1.852 1494 C HN 0.195 nan 8.230 nan 0.000 0.566 1495 K N 0.945 121.424 120.400 0.130 0.000 2.118 1495 K HA 0.578 4.899 4.320 0.000 0.000 0.267 1495 K C -0.569 176.165 176.600 0.222 0.000 0.991 1495 K CA -0.074 56.274 56.287 0.101 0.000 0.916 1495 K CB 1.019 33.461 32.500 -0.097 0.000 1.041 1495 K HN 0.326 nan 8.250 nan 0.000 0.455 1496 F N -1.160 118.784 119.950 -0.010 0.000 2.685 1496 F HA 0.792 5.319 4.527 0.000 0.000 0.315 1496 F C -1.464 174.343 175.800 0.011 0.000 1.126 1496 F CA -1.382 56.622 58.000 0.007 0.000 0.950 1496 F CB 0.988 40.011 39.000 0.039 0.000 1.360 1496 F HN 0.458 nan 8.300 nan 0.000 0.469 1497 A N 1.356 124.260 122.820 0.140 0.000 2.469 1497 A HA 0.916 5.237 4.320 0.000 0.000 0.299 1497 A C -1.850 175.860 177.584 0.210 0.000 1.098 1497 A CA -0.905 51.163 52.037 0.052 0.000 0.737 1497 A CB 1.689 20.739 19.000 0.083 0.000 1.312 1497 A HN 0.870 nan 8.150 nan 0.000 0.414 1498 L N 0.151 121.478 121.223 0.173 0.000 2.371 1498 L HA 0.829 5.169 4.340 0.000 0.000 0.262 1498 L C -0.772 176.284 176.870 0.309 0.000 1.006 1498 L CA -0.528 54.434 54.840 0.204 0.000 0.818 1498 L CB 2.171 44.311 42.059 0.134 0.000 1.354 1498 L HN 1.042 nan 8.230 nan 0.000 0.415 1499 W N 1.461 122.797 121.300 0.060 0.000 3.025 1499 W HA 0.757 5.418 4.660 0.001 0.000 0.343 1499 W C -1.977 174.580 176.519 0.063 0.000 1.246 1499 W CA -1.060 56.310 57.345 0.041 0.000 1.178 1499 W CB 0.688 30.165 29.460 0.029 0.000 1.463 1499 W HN 0.311 nan 8.180 nan 0.000 0.578 1500 V N 0.719 120.732 119.914 0.164 0.000 2.769 1500 V HA 1.022 5.142 4.120 0.000 0.000 0.312 1500 V C 0.318 176.523 176.094 0.186 0.000 1.061 1500 V CA -0.266 62.059 62.300 0.041 0.000 0.931 1500 V CB 0.505 32.384 31.823 0.093 0.000 1.010 1500 V HN 2.256 nan 8.190 nan 0.000 0.433 1501 G N 2.626 111.487 108.800 0.101 0.000 2.728 1501 G HA2 -0.190 3.770 3.960 0.000 0.000 0.294 1501 G HA3 -0.190 3.770 3.960 0.000 0.000 0.294 1501 G C 0.302 175.373 174.900 0.285 0.000 1.342 1501 G CA 0.539 45.742 45.100 0.171 0.000 0.866 1501 G HN 1.234 nan 8.290 nan 0.000 0.534 1502 R N -0.701 119.941 120.500 0.236 0.000 2.073 1502 R HA 0.014 4.355 4.340 0.000 0.000 0.234 1502 R C 0.972 177.481 176.300 0.347 0.000 1.134 1502 R CA 2.066 58.320 56.100 0.257 0.000 0.952 1502 R CB -0.377 30.010 30.300 0.144 0.000 0.850 1502 R HN 0.617 nan 8.270 nan 0.000 0.433 1503 T N 3.196 117.889 114.554 0.233 0.000 2.797 1503 T HA 0.371 4.721 4.350 0.000 0.000 0.279 1503 T C -2.619 171.994 174.700 -0.144 0.000 0.991 1503 T CA -1.467 60.650 62.100 0.028 0.000 0.979 1503 T CB 2.079 70.945 68.868 -0.003 0.000 0.943 1503 T HN 0.163 nan 8.240 nan 0.000 0.444 1504 P HA 0.334 nan 4.420 nan 0.000 0.279 1504 P C -0.526 176.605 177.300 -0.282 0.000 1.239 1504 P CA -0.272 62.407 63.100 -0.703 0.000 0.789 1504 P CB 0.888 31.865 31.700 -1.205 0.000 0.933 1505 T N -2.710 111.761 114.554 -0.138 0.000 2.841 1505 T HA 0.308 4.658 4.350 0.000 0.000 0.296 1505 T C 1.141 175.808 174.700 -0.055 0.000 1.166 1505 T CA -0.302 61.749 62.100 -0.081 0.000 1.007 1505 T CB 0.766 69.614 68.868 -0.033 0.000 1.253 1505 T HN 0.271 nan 8.240 nan 0.000 0.511 1506 S N -0.409 115.264 115.700 -0.045 0.000 2.507 1506 S HA -0.045 4.425 4.470 0.000 0.000 0.235 1506 S C 0.823 175.414 174.600 -0.016 0.000 0.988 1506 S CA 0.758 58.939 58.200 -0.033 0.000 0.944 1506 S CB -0.498 62.684 63.200 -0.031 0.000 0.762 1506 S HN 0.713 nan 8.310 nan 0.000 0.526 1507 D N 2.070 122.464 120.400 -0.009 0.000 2.346 1507 D HA 0.041 4.682 4.640 0.000 0.000 0.206 1507 D C 1.099 177.405 176.300 0.009 0.000 1.001 1507 D CA 0.652 54.651 54.000 -0.001 0.000 0.871 1507 D CB -0.086 40.715 40.800 0.002 0.000 0.943 1507 D HN 0.740 nan 8.370 nan 0.000 0.518 1508 N N -0.065 118.651 118.700 0.027 0.000 2.159 1508 N HA -0.036 4.704 4.740 0.000 0.000 0.217 1508 N C 0.221 175.785 175.510 0.091 0.000 1.223 1508 N CA -0.177 52.909 53.050 0.061 0.000 0.896 1508 N CB 0.241 38.796 38.487 0.114 0.000 1.064 1508 N HN -0.132 nan 8.380 nan 0.000 0.518 1509 K N 1.165 121.603 120.400 0.063 0.000 2.297 1509 K HA 0.337 4.657 4.320 0.000 0.000 0.286 1509 K C -0.797 175.828 176.600 0.041 0.000 1.053 1509 K CA -0.352 55.986 56.287 0.084 0.000 0.940 1509 K CB 0.577 33.090 32.500 0.022 0.000 1.019 1509 K HN 0.115 nan 8.250 nan 0.000 0.475 1510 I N 4.520 125.118 120.570 0.047 0.000 2.404 1510 I HA 0.231 4.401 4.170 0.000 0.000 0.293 1510 I C -0.629 175.473 176.117 -0.024 0.000 0.992 1510 I CA -1.175 60.123 61.300 -0.005 0.000 1.149 1510 I CB 1.942 39.912 38.000 -0.050 0.000 1.315 1510 I HN 0.260 nan 8.210 nan 0.000 0.446 1511 V N 7.313 127.225 119.914 -0.003 0.000 2.435 1511 V HA 0.483 4.603 4.120 0.000 0.000 0.290 1511 V C -0.277 175.803 176.094 -0.025 0.000 1.030 1511 V CA -0.532 61.716 62.300 -0.086 0.000 0.881 1511 V CB 1.813 33.533 31.823 -0.171 0.000 0.983 1511 V HN 0.403 nan 8.190 nan 0.000 0.445 1512 L N 4.473 125.501 121.223 -0.325 0.000 2.362 1512 L HA 0.615 4.955 4.340 0.000 0.000 0.271 1512 L C -0.315 176.467 176.870 -0.147 0.000 1.002 1512 L CA -0.378 54.263 54.840 -0.332 0.000 0.818 1512 L CB 1.784 43.237 42.059 -1.011 0.000 1.298 1512 L HN 0.538 nan 8.230 nan 0.000 0.420 1513 K N 2.088 122.617 120.400 0.214 0.000 2.394 1513 K HA 0.829 5.150 4.320 0.000 0.000 0.260 1513 K C -0.698 176.099 176.600 0.328 0.000 0.967 1513 K CA -0.455 55.995 56.287 0.272 0.000 0.855 1513 K CB 1.427 34.146 32.500 0.365 0.000 1.101 1513 K HN 0.765 nan 8.250 nan 0.000 0.433 1514 A N 2.077 125.119 122.820 0.370 0.000 2.287 1514 A HA 0.190 4.510 4.320 0.000 0.000 0.273 1514 A C 1.058 178.657 177.584 0.024 0.000 1.091 1514 A CA 0.002 52.161 52.037 0.205 0.000 0.817 1514 A CB 0.617 19.801 19.000 0.308 0.000 1.069 1514 A HN 0.931 nan 8.150 nan 0.000 0.492 1515 S N -0.163 115.464 115.700 -0.122 0.000 2.481 1515 S HA 0.119 4.589 4.470 0.000 0.000 0.231 1515 S C 0.662 175.246 174.600 -0.027 0.000 0.996 1515 S CA 0.820 58.971 58.200 -0.082 0.000 0.942 1515 S CB -0.686 62.432 63.200 -0.137 0.000 0.768 1515 S HN 1.904 nan 8.310 nan 0.000 0.520 1516 S N -0.818 114.879 115.700 -0.006 0.000 2.588 1516 S HA 0.571 5.042 4.470 0.000 0.000 0.269 1516 S C 0.341 174.968 174.600 0.045 0.000 1.157 1516 S CA -0.875 57.336 58.200 0.018 0.000 0.824 1516 S CB 0.405 63.607 63.200 0.004 0.000 1.126 1516 S HN -0.039 nan 8.310 nan 0.000 0.464 1517 I N 1.308 121.905 120.570 0.045 0.000 2.361 1517 I HA -0.092 4.078 4.170 0.000 0.000 0.251 1517 I C 2.193 178.337 176.117 0.045 0.000 1.133 1517 I CA 1.552 62.883 61.300 0.052 0.000 1.413 1517 I CB -1.692 36.334 38.000 0.042 0.000 1.073 1517 I HN 0.761 nan 8.210 nan 0.000 0.424 1518 E N 0.726 120.948 120.200 0.036 0.000 2.072 1518 E HA -0.186 4.164 4.350 0.000 0.000 0.191 1518 E C 2.010 178.646 176.600 0.060 0.000 0.985 1518 E CA 0.952 57.373 56.400 0.035 0.000 0.801 1518 E CB -0.403 29.312 29.700 0.024 0.000 0.750 1518 E HN 0.396 nan 8.360 nan 0.000 0.452 1519 N N 1.263 120.003 118.700 0.068 0.000 2.120 1519 N HA -0.226 4.514 4.740 0.000 0.000 0.188 1519 N C 1.701 177.337 175.510 0.209 0.000 1.024 1519 N CA 1.424 54.549 53.050 0.125 0.000 0.852 1519 N CB -0.006 38.491 38.487 0.017 0.000 1.003 1519 N HN 0.157 nan 8.380 nan 0.000 0.424 1520 K N 0.648 121.127 120.400 0.133 0.000 2.032 1520 K HA -0.152 4.168 4.320 0.000 0.000 0.209 1520 K C 2.033 178.605 176.600 -0.046 0.000 1.048 1520 K CA 1.396 57.710 56.287 0.046 0.000 0.927 1520 K CB -0.073 32.472 32.500 0.075 0.000 0.712 1520 K HN 0.300 nan 8.250 nan 0.000 0.441 1521 Q N 0.250 120.053 119.800 0.006 0.000 2.119 1521 Q HA -0.181 4.159 4.340 0.000 0.000 0.201 1521 Q C 1.739 177.738 176.000 -0.002 0.000 0.972 1521 Q CA 1.660 57.452 55.803 -0.017 0.000 0.847 1521 Q CB -0.111 28.626 28.738 -0.003 0.000 0.903 1521 Q HN 0.419 nan 8.270 nan 0.000 0.433 1522 D N -0.333 120.106 120.400 0.066 0.000 2.117 1522 D HA -0.155 4.486 4.640 0.000 0.000 0.198 1522 D C 1.216 177.560 176.300 0.074 0.000 0.982 1522 D CA 0.972 55.019 54.000 0.078 0.000 0.828 1522 D CB -0.003 40.862 40.800 0.109 0.000 0.967 1522 D HN 0.232 nan 8.370 nan 0.000 0.464 1523 W N 0.536 121.814 121.300 -0.037 0.000 2.381 1523 W HA -0.015 4.645 4.660 0.001 0.000 0.301 1523 W C 2.234 178.650 176.519 -0.172 0.000 1.205 1523 W CA 0.238 57.541 57.345 -0.071 0.000 1.285 1523 W CB -0.313 29.102 29.460 -0.075 0.000 1.133 1523 W HN 0.015 nan 8.180 nan 0.000 0.521 1524 I N 0.657 121.163 120.570 -0.107 0.000 2.208 1524 I HA -0.301 3.869 4.170 0.000 0.000 0.245 1524 I C 2.274 178.336 176.117 -0.092 0.000 1.097 1524 I CA 1.666 62.875 61.300 -0.152 0.000 1.363 1524 I CB -1.470 36.422 38.000 -0.179 0.000 1.051 1524 I HN 0.095 nan 8.210 nan 0.000 0.413 1525 K N 0.091 120.425 120.400 -0.111 0.000 2.026 1525 K HA -0.212 4.109 4.320 0.000 0.000 0.208 1525 K C 2.265 178.718 176.600 -0.245 0.000 1.048 1525 K CA 1.398 57.576 56.287 -0.182 0.000 0.929 1525 K CB -0.135 32.222 32.500 -0.238 0.000 0.713 1525 K HN 0.358 nan 8.250 nan 0.000 0.439 1526 H N 0.188 119.165 119.070 -0.155 0.000 2.423 1526 H HA -0.038 4.518 4.556 0.000 0.000 0.297 1526 H C 2.242 177.485 175.328 -0.141 0.000 1.075 1526 H CA 1.471 57.407 56.048 -0.185 0.000 1.342 1526 H CB 0.040 29.608 29.762 -0.323 0.000 1.395 1526 H HN 0.245 nan 8.280 nan 0.000 0.530 1527 I N 0.495 121.061 120.570 -0.007 0.000 2.252 1527 I HA -0.232 3.939 4.170 0.000 0.000 0.245 1527 I C 2.636 178.747 176.117 -0.010 0.000 1.102 1527 I CA 0.930 62.238 61.300 0.012 0.000 1.385 1527 I CB -0.122 37.916 38.000 0.063 0.000 1.064 1527 I HN 0.093 nan 8.210 nan 0.000 0.414 1528 R N 0.352 120.833 120.500 -0.033 0.000 2.105 1528 R HA -0.237 4.103 4.340 0.000 0.000 0.239 1528 R C 2.215 178.492 176.300 -0.039 0.000 1.135 1528 R CA 1.638 57.716 56.100 -0.037 0.000 0.967 1528 R CB -0.268 30.004 30.300 -0.047 0.000 0.861 1528 R HN 0.272 nan 8.270 nan 0.000 0.442 1529 E N 0.602 120.769 120.200 -0.055 0.000 2.077 1529 E HA -0.147 4.204 4.350 0.000 0.000 0.193 1529 E C 1.887 178.480 176.600 -0.013 0.000 0.989 1529 E CA 1.609 57.981 56.400 -0.047 0.000 0.800 1529 E CB -0.027 29.627 29.700 -0.077 0.000 0.746 1529 E HN 0.237 nan 8.360 nan 0.000 0.452 1530 V N -0.941 118.974 119.914 0.003 0.000 2.515 1530 V HA -0.129 3.991 4.120 0.000 0.000 0.250 1530 V C 2.317 178.422 176.094 0.018 0.000 1.058 1530 V CA 1.584 63.898 62.300 0.022 0.000 1.064 1530 V CB -0.632 31.215 31.823 0.040 0.000 0.675 1530 V HN 0.238 nan 8.190 nan 0.000 0.461 1531 I N 0.349 120.921 120.570 0.004 0.000 2.226 1531 I HA -0.260 3.910 4.170 0.000 0.000 0.245 1531 I C 2.902 179.016 176.117 -0.005 0.000 1.100 1531 I CA 2.313 63.609 61.300 -0.006 0.000 1.374 1531 I CB -0.357 37.625 38.000 -0.030 0.000 1.057 1531 I HN 0.406 nan 8.210 nan 0.000 0.413 1532 Q N 0.772 120.567 119.800 -0.008 0.000 2.079 1532 Q HA -0.289 4.051 4.340 0.000 0.000 0.200 1532 Q C 2.070 178.069 176.000 -0.001 0.000 0.974 1532 Q CA 1.871 57.669 55.803 -0.007 0.000 0.840 1532 Q CB 0.044 28.774 28.738 -0.013 0.000 0.898 1532 Q HN 0.347 nan 8.270 nan 0.000 0.430 1533 E N 0.318 120.520 120.200 0.003 0.000 2.110 1533 E HA -0.159 4.191 4.350 0.000 0.000 0.193 1533 E C 1.363 177.970 176.600 0.012 0.000 0.988 1533 E CA 1.233 57.638 56.400 0.008 0.000 0.804 1533 E CB 0.103 29.812 29.700 0.015 0.000 0.745 1533 E HN 0.213 nan 8.360 nan 0.000 0.458 1534 R N 0.488 120.998 120.500 0.016 0.000 2.320 1534 R HA 0.134 4.474 4.340 0.000 0.000 0.211 1534 R C 0.446 176.750 176.300 0.007 0.000 0.931 1534 R CA 0.814 56.924 56.100 0.017 0.000 1.071 1534 R CB -0.150 30.168 30.300 0.031 0.000 1.025 1534 R HN 0.326 nan 8.270 nan 0.000 0.495 1535 T N 0.000 114.557 114.554 0.004 0.000 3.816 1535 T HA 0.000 4.350 4.350 0.000 0.000 0.228 1535 T CA 0.000 62.101 62.100 0.002 0.000 1.349 1535 T CB 0.000 68.868 68.868 0.001 0.000 0.612 1535 T HN 0.000 nan 8.240 nan 0.000 0.658