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 2ii3_1_C DATA FIRST_RESID 188 DATA SEQUENCE GKDRTEPVKG FHKAMVKTMS AALKIPHFGY CDEVDLTELV KLREELKPIA DATA SEQUENCE FARGIKLSFM PFFLKAASLG LLQFPILNAS VDENCQNITY KASHNIGIAM DATA SEQUENCE DTEQGLIVPN VKNVQIRSIF EIATELNRLQ KLGSAGQLST NDLIGGTFTL DATA SEQUENCE SNIGSIGGTY AKPVILPPEV AIGALGTIKA LPRFNEKGEV CKAQIMNVSW DATA SEQUENCE SADHRIIDGA TVSRFSNLWK SYLENPAFML LDLK 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 188 G HA2 0.000 nan 3.960 nan 0.000 0.244 188 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 188 G C 0.000 174.898 174.900 -0.004 0.000 0.946 188 G CA 0.000 45.098 45.100 -0.004 0.000 0.502 189 K N 0.628 121.026 120.400 -0.004 0.000 2.469 189 K HA 0.408 4.728 4.320 -0.000 0.000 0.254 189 K C -1.302 175.295 176.600 -0.006 0.000 0.939 189 K CA -1.003 55.282 56.287 -0.004 0.000 0.812 189 K CB 2.263 34.761 32.500 -0.004 0.000 1.301 189 K HN 0.009 nan 8.250 nan 0.000 0.433 190 D N 1.568 121.965 120.400 -0.006 0.000 2.382 190 D HA 0.142 4.782 4.640 -0.000 0.000 0.240 190 D C -0.231 176.065 176.300 -0.007 0.000 1.146 190 D CA 0.313 54.309 54.000 -0.007 0.000 0.897 190 D CB 0.734 41.530 40.800 -0.007 0.000 1.197 190 D HN 0.218 nan 8.370 nan 0.000 0.432 191 R N 0.234 120.729 120.500 -0.009 0.000 2.515 191 R HA 0.306 4.646 4.340 -0.000 0.000 0.291 191 R C -1.191 175.103 176.300 -0.010 0.000 1.046 191 R CA -0.502 55.593 56.100 -0.008 0.000 0.914 191 R CB 1.180 31.475 30.300 -0.009 0.000 1.191 191 R HN 0.323 nan 8.270 nan 0.000 0.435 192 T N 2.708 117.257 114.554 -0.009 0.000 2.837 192 T HA 0.303 4.653 4.350 -0.000 0.000 0.285 192 T C -0.709 173.986 174.700 -0.009 0.000 0.984 192 T CA -0.432 61.662 62.100 -0.009 0.000 1.049 192 T CB 1.464 70.328 68.868 -0.007 0.000 0.947 192 T HN 0.530 nan 8.240 nan 0.000 0.472 193 E N 2.611 122.805 120.200 -0.011 0.000 2.278 193 E HA 0.410 4.760 4.350 -0.000 0.000 0.272 193 E C -2.444 174.150 176.600 -0.010 0.000 0.890 193 E CA -1.773 54.621 56.400 -0.011 0.000 0.770 193 E CB 1.169 30.857 29.700 -0.020 0.000 1.212 193 E HN 0.373 nan 8.360 nan 0.000 0.415 194 P HA 0.061 nan 4.420 nan 0.000 0.268 194 P C -0.605 176.699 177.300 0.007 0.000 1.205 194 P CA -0.323 62.780 63.100 0.005 0.000 0.771 194 P CB 0.596 32.305 31.700 0.015 0.000 0.858 195 V N 3.532 123.451 119.914 0.008 0.000 2.470 195 V HA 0.208 4.328 4.120 -0.000 0.000 0.276 195 V C 0.761 176.890 176.094 0.059 0.000 1.040 195 V CA 0.364 62.680 62.300 0.026 0.000 1.008 195 V CB -0.411 31.422 31.823 0.018 0.000 0.990 195 V HN 0.588 nan 8.190 nan 0.000 0.477 196 K N 2.364 122.833 120.400 0.115 0.000 2.469 196 K HA 0.751 5.071 4.320 -0.000 0.000 0.268 196 K C 0.541 177.219 176.600 0.131 0.000 1.027 196 K CA -0.064 56.283 56.287 0.100 0.000 0.893 196 K CB 2.167 34.711 32.500 0.074 0.000 1.460 196 K HN 0.878 nan 8.250 nan 0.000 0.449 197 G N 0.939 109.781 108.800 0.071 0.000 2.550 197 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.277 197 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.277 197 G C 0.235 175.149 174.900 0.024 0.000 1.190 197 G CA 0.554 45.685 45.100 0.051 0.000 0.971 197 G HN 0.543 nan 8.290 nan 0.000 0.559 198 F N 1.907 121.738 119.950 -0.200 0.000 2.771 198 F HA 0.224 4.751 4.527 -0.000 0.000 0.299 198 F C 2.251 177.904 175.800 -0.245 0.000 1.177 198 F CA 1.642 59.514 58.000 -0.213 0.000 1.450 198 F CB -0.225 38.641 39.000 -0.224 0.000 1.114 198 F HN 0.492 nan 8.300 nan 0.000 0.587 199 H N -1.385 117.683 119.070 -0.003 0.000 2.482 199 H HA 0.031 4.587 4.556 -0.000 0.000 0.286 199 H C 2.145 177.399 175.328 -0.122 0.000 1.017 199 H CA 0.713 56.726 56.048 -0.058 0.000 1.322 199 H CB 0.083 29.845 29.762 -0.001 0.000 1.426 199 H HN 0.120 nan 8.280 nan 0.000 0.546 200 K N 0.614 120.993 120.400 -0.034 0.000 2.152 200 K HA -0.107 4.213 4.320 -0.000 0.000 0.206 200 K C 2.276 178.786 176.600 -0.151 0.000 1.048 200 K CA 0.900 57.146 56.287 -0.068 0.000 0.933 200 K CB -0.014 32.461 32.500 -0.042 0.000 0.721 200 K HN 0.272 nan 8.250 nan 0.000 0.447 201 A N 1.128 123.758 122.820 -0.318 0.000 1.929 201 A HA -0.144 4.176 4.320 -0.000 0.000 0.216 201 A C 2.041 179.456 177.584 -0.281 0.000 1.176 201 A CA 1.172 52.981 52.037 -0.379 0.000 0.628 201 A CB -0.348 18.201 19.000 -0.750 0.000 0.816 201 A HN 0.276 nan 8.150 nan 0.000 0.444 202 M N -0.228 119.209 119.600 -0.272 0.000 2.229 202 M HA -0.107 4.372 4.480 -0.000 0.000 0.264 202 M C 1.814 178.065 176.300 -0.081 0.000 1.063 202 M CA 1.447 56.664 55.300 -0.138 0.000 1.114 202 M CB -0.180 32.373 32.600 -0.078 0.000 1.387 202 M HN 0.222 nan 8.290 nan 0.000 0.420 203 V N 0.642 120.513 119.914 -0.071 0.000 2.287 203 V HA -0.283 3.837 4.120 -0.000 0.000 0.248 203 V C 2.374 178.441 176.094 -0.045 0.000 1.053 203 V CA 1.634 63.907 62.300 -0.045 0.000 1.027 203 V CB -0.795 31.008 31.823 -0.034 0.000 0.646 203 V HN 0.379 nan 8.190 nan 0.000 0.447 204 K N 0.321 120.686 120.400 -0.059 0.000 2.025 204 K HA -0.091 4.229 4.320 -0.000 0.000 0.207 204 K C 2.286 178.863 176.600 -0.038 0.000 1.049 204 K CA 1.838 58.097 56.287 -0.047 0.000 0.933 204 K CB -1.281 31.186 32.500 -0.055 0.000 0.714 204 K HN 0.528 nan 8.250 nan 0.000 0.438 205 T N 1.524 116.048 114.554 -0.050 0.000 2.652 205 T HA -0.129 4.221 4.350 -0.000 0.000 0.267 205 T C 1.772 176.463 174.700 -0.015 0.000 1.039 205 T CA 1.519 63.600 62.100 -0.032 0.000 1.153 205 T CB -0.094 68.748 68.868 -0.043 0.000 0.863 205 T HN 0.058 nan 8.240 nan 0.000 0.428 206 M N 1.410 120.998 119.600 -0.021 0.000 2.229 206 M HA 0.040 4.520 4.480 -0.000 0.000 0.264 206 M C 2.526 178.821 176.300 -0.008 0.000 1.063 206 M CA 1.046 56.339 55.300 -0.012 0.000 1.114 206 M CB -1.337 31.250 32.600 -0.020 0.000 1.387 206 M HN 0.152 nan 8.290 nan 0.000 0.420 207 S N 1.037 116.729 115.700 -0.013 0.000 2.383 207 S HA 0.011 4.481 4.470 -0.000 0.000 0.227 207 S C 2.104 176.705 174.600 0.002 0.000 1.026 207 S CA 1.125 59.320 58.200 -0.008 0.000 0.981 207 S CB -0.276 62.916 63.200 -0.012 0.000 0.818 207 S HN 0.566 nan 8.310 nan 0.000 0.472 208 A N 1.446 124.268 122.820 0.003 0.000 2.015 208 A HA 0.190 4.510 4.320 -0.000 0.000 0.219 208 A C 2.243 179.844 177.584 0.029 0.000 1.163 208 A CA 1.436 53.479 52.037 0.010 0.000 0.646 208 A CB -0.804 18.199 19.000 0.004 0.000 0.806 208 A HN 0.499 nan 8.150 nan 0.000 0.448 209 A N -0.359 122.486 122.820 0.043 0.000 2.121 209 A HA 0.088 4.408 4.320 -0.000 0.000 0.218 209 A C 1.934 179.593 177.584 0.124 0.000 1.154 209 A CA 0.978 53.075 52.037 0.100 0.000 0.679 209 A CB -0.529 18.543 19.000 0.119 0.000 0.795 209 A HN 0.481 nan 8.150 nan 0.000 0.458 210 L N -0.951 120.306 121.223 0.057 0.000 2.265 210 L HA -0.160 4.179 4.340 -0.000 0.000 0.215 210 L C 2.126 179.032 176.870 0.060 0.000 1.117 210 L CA 1.218 56.084 54.840 0.043 0.000 0.782 210 L CB -0.289 41.778 42.059 0.014 0.000 0.914 210 L HN 0.374 nan 8.230 nan 0.000 0.441 211 K N -0.007 120.427 120.400 0.056 0.000 2.418 211 K HA 0.120 4.440 4.320 -0.000 0.000 0.195 211 K C 0.440 177.075 176.600 0.057 0.000 1.035 211 K CA 0.329 56.642 56.287 0.044 0.000 1.003 211 K CB 0.228 32.743 32.500 0.026 0.000 0.793 211 K HN 0.264 nan 8.250 nan 0.000 0.494 212 I N 3.201 123.827 120.570 0.094 0.000 2.312 212 I HA 0.136 4.306 4.170 -0.000 0.000 0.291 212 I C -2.384 173.837 176.117 0.174 0.000 1.031 212 I CA -2.581 58.761 61.300 0.070 0.000 1.293 212 I CB 0.931 38.910 38.000 -0.035 0.000 1.403 212 I HN -0.276 nan 8.210 nan 0.000 0.484 213 P HA 0.126 nan 4.420 nan 0.000 0.274 213 P C -0.906 176.516 177.300 0.204 0.000 1.291 213 P CA -0.039 63.157 63.100 0.161 0.000 0.815 213 P CB -0.019 31.741 31.700 0.100 0.000 0.897 214 H N 2.582 121.715 119.070 0.107 0.000 2.620 214 H HA 0.332 4.888 4.556 -0.000 0.000 0.313 214 H C -0.422 175.036 175.328 0.216 0.000 1.075 214 H CA -0.062 56.062 56.048 0.126 0.000 1.397 214 H CB 0.023 29.823 29.762 0.064 0.000 1.446 214 H HN 0.294 nan 8.280 nan 0.000 0.493 215 F N 2.619 122.678 119.950 0.181 0.000 2.404 215 F HA 0.560 5.087 4.527 -0.000 0.000 0.339 215 F C 0.421 176.322 175.800 0.168 0.000 1.105 215 F CA -0.753 57.362 58.000 0.193 0.000 1.087 215 F CB 1.079 40.207 39.000 0.213 0.000 1.143 215 F HN 0.528 nan 8.300 nan 0.000 0.491 216 G N 4.849 113.346 108.800 -0.505 0.000 2.379 216 G HA2 0.446 4.405 3.960 -0.000 0.000 0.327 216 G HA3 0.446 4.405 3.960 -0.000 0.000 0.327 216 G C -2.475 172.044 174.900 -0.634 0.000 1.145 216 G CA -0.540 44.316 45.100 -0.407 0.000 0.905 216 G HN 0.765 nan 8.290 nan 0.000 0.466 217 Y N 1.403 121.480 120.300 -0.371 0.000 2.386 217 Y HA 0.567 5.117 4.550 -0.000 0.000 0.334 217 Y C -0.491 175.437 175.900 0.047 0.000 1.002 217 Y CA -1.182 56.806 58.100 -0.187 0.000 1.068 217 Y CB 1.271 39.717 38.460 -0.023 0.000 1.203 217 Y HN 0.664 nan 8.280 nan 0.000 0.443 218 C N 4.398 123.367 119.300 -0.552 0.000 2.719 218 C HA 0.789 5.249 4.460 -0.000 0.000 0.327 218 C C -0.886 173.884 174.990 -0.367 0.000 1.238 218 C CA -0.464 58.368 59.018 -0.310 0.000 1.727 218 C CB 1.772 29.369 27.740 -0.238 0.000 2.256 218 C HN 0.907 nan 8.230 nan 0.000 0.489 219 D N -0.425 119.981 120.400 0.009 0.000 2.639 219 D HA 0.379 5.019 4.640 -0.000 0.000 0.271 219 D C -1.512 174.870 176.300 0.137 0.000 1.254 219 D CA -0.314 53.724 54.000 0.063 0.000 0.810 219 D CB 1.724 42.605 40.800 0.134 0.000 1.351 219 D HN 0.803 nan 8.370 nan 0.000 0.427 220 E N 0.227 120.486 120.200 0.098 0.000 2.195 220 E HA 0.630 4.980 4.350 -0.000 0.000 0.271 220 E C -1.255 175.368 176.600 0.037 0.000 0.923 220 E CA -0.800 55.617 56.400 0.028 0.000 0.790 220 E CB 1.839 31.545 29.700 0.011 0.000 1.155 220 E HN 0.064 nan 8.360 nan 0.000 0.402 221 V N 2.549 122.460 119.914 -0.004 0.000 2.555 221 V HA 0.202 4.322 4.120 -0.000 0.000 0.302 221 V C -0.652 175.402 176.094 -0.066 0.000 1.038 221 V CA -0.903 61.382 62.300 -0.025 0.000 0.887 221 V CB 1.678 33.463 31.823 -0.063 0.000 0.991 221 V HN 0.821 nan 8.190 nan 0.000 0.434 222 D N 4.230 124.593 120.400 -0.062 0.000 2.396 222 D HA 0.281 4.921 4.640 -0.000 0.000 0.225 222 D C 0.365 176.612 176.300 -0.087 0.000 1.121 222 D CA -0.109 53.851 54.000 -0.068 0.000 0.853 222 D CB 1.218 41.989 40.800 -0.047 0.000 1.043 222 D HN 0.476 nan 8.370 nan 0.000 0.500 223 L N 3.329 124.492 121.223 -0.100 0.000 2.685 223 L HA 0.054 4.394 4.340 -0.000 0.000 0.233 223 L C 1.817 178.635 176.870 -0.086 0.000 1.173 223 L CA -0.070 54.706 54.840 -0.107 0.000 0.961 223 L CB -0.057 41.913 42.059 -0.148 0.000 1.217 223 L HN 0.348 nan 8.230 nan 0.000 0.478 224 T N -0.701 113.809 114.554 -0.072 0.000 2.635 224 T HA -0.210 4.140 4.350 -0.000 0.000 0.267 224 T C 1.770 176.441 174.700 -0.049 0.000 1.040 224 T CA 1.334 63.402 62.100 -0.053 0.000 1.156 224 T CB -0.002 68.839 68.868 -0.046 0.000 0.863 224 T HN 0.263 nan 8.240 nan 0.000 0.430 225 E N 0.796 120.959 120.200 -0.063 0.000 2.085 225 E HA -0.039 4.311 4.350 -0.000 0.000 0.194 225 E C 2.261 178.813 176.600 -0.080 0.000 0.994 225 E CA 0.687 57.046 56.400 -0.068 0.000 0.801 225 E CB -0.510 29.139 29.700 -0.087 0.000 0.743 225 E HN 0.390 nan 8.360 nan 0.000 0.453 226 L N 0.422 121.588 121.223 -0.095 0.000 2.017 226 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 226 L C 2.469 179.310 176.870 -0.048 0.000 1.073 226 L CA 1.009 55.764 54.840 -0.142 0.000 0.745 226 L CB -0.337 41.652 42.059 -0.117 0.000 0.894 226 L HN 0.025 nan 8.230 nan 0.000 0.432 227 V N 0.509 120.466 119.914 0.071 0.000 2.282 227 V HA -0.391 3.729 4.120 -0.000 0.000 0.249 227 V C 2.598 178.719 176.094 0.044 0.000 1.057 227 V CA 2.418 64.825 62.300 0.178 0.000 1.032 227 V CB -0.695 31.189 31.823 0.103 0.000 0.645 227 V HN 0.535 nan 8.190 nan 0.000 0.447 228 K N -0.021 120.375 120.400 -0.007 0.000 2.026 228 K HA -0.228 4.092 4.320 -0.000 0.000 0.208 228 K C 2.238 178.810 176.600 -0.046 0.000 1.048 228 K CA 2.070 58.342 56.287 -0.024 0.000 0.929 228 K CB -0.358 32.127 32.500 -0.025 0.000 0.713 228 K HN 0.345 nan 8.250 nan 0.000 0.439 229 L N 1.975 123.151 121.223 -0.078 0.000 1.990 229 L HA -0.201 4.139 4.340 -0.000 0.000 0.213 229 L C 2.624 179.432 176.870 -0.104 0.000 1.072 229 L CA 2.065 56.850 54.840 -0.092 0.000 0.755 229 L CB -0.723 41.251 42.059 -0.141 0.000 0.889 229 L HN 0.256 nan 8.230 nan 0.000 0.432 230 R N -0.827 119.545 120.500 -0.213 0.000 2.105 230 R HA -0.176 4.163 4.340 -0.000 0.000 0.239 230 R C 2.108 178.350 176.300 -0.097 0.000 1.135 230 R CA 1.549 57.529 56.100 -0.200 0.000 0.967 230 R CB -0.260 29.762 30.300 -0.462 0.000 0.861 230 R HN 0.445 nan 8.270 nan 0.000 0.442 231 E N 0.957 121.111 120.200 -0.077 0.000 2.110 231 E HA -0.210 4.140 4.350 -0.000 0.000 0.193 231 E C 1.823 178.410 176.600 -0.022 0.000 0.988 231 E CA 1.810 58.184 56.400 -0.044 0.000 0.804 231 E CB -0.103 29.581 29.700 -0.026 0.000 0.745 231 E HN 0.703 nan 8.360 nan 0.000 0.458 232 E N 0.389 120.580 120.200 -0.015 0.000 2.152 232 E HA -0.084 4.266 4.350 -0.000 0.000 0.192 232 E C 2.243 178.855 176.600 0.020 0.000 0.983 232 E CA 0.581 56.981 56.400 0.001 0.000 0.818 232 E CB -0.328 29.373 29.700 0.002 0.000 0.758 232 E HN 0.216 nan 8.360 nan 0.000 0.467 233 L N 0.797 122.043 121.223 0.039 0.000 2.209 233 L HA 0.011 4.351 4.340 -0.000 0.000 0.207 233 L C 2.526 179.438 176.870 0.069 0.000 1.094 233 L CA 0.477 55.360 54.840 0.072 0.000 0.790 233 L CB -0.327 41.817 42.059 0.142 0.000 0.932 233 L HN 0.020 nan 8.230 nan 0.000 0.447 234 K N 0.498 120.926 120.400 0.047 0.000 2.097 234 K HA -0.233 4.086 4.320 -0.000 0.000 0.214 234 K C -0.391 176.259 176.600 0.082 0.000 1.052 234 K CA 2.096 58.410 56.287 0.046 0.000 0.932 234 K CB -1.122 31.376 32.500 -0.005 0.000 0.716 234 K HN 0.300 nan 8.250 nan 0.000 0.455 235 P HA -0.076 nan 4.420 nan 0.000 0.225 235 P C 1.132 178.507 177.300 0.124 0.000 1.156 235 P CA 0.820 63.975 63.100 0.091 0.000 0.787 235 P CB 0.091 31.815 31.700 0.039 0.000 0.802 236 I N -0.565 120.052 120.570 0.079 0.000 2.406 236 I HA -0.066 4.104 4.170 -0.000 0.000 0.249 236 I C 2.164 178.314 176.117 0.054 0.000 1.122 236 I CA 1.063 62.387 61.300 0.041 0.000 1.431 236 I CB -1.671 36.327 38.000 -0.003 0.000 1.087 236 I HN -0.086 nan 8.210 nan 0.000 0.424 237 A N 1.105 123.993 122.820 0.113 0.000 1.877 237 A HA -0.263 4.057 4.320 -0.000 0.000 0.216 237 A C 2.295 179.983 177.584 0.174 0.000 1.186 237 A CA 1.436 53.579 52.037 0.177 0.000 0.620 237 A CB -1.128 17.976 19.000 0.172 0.000 0.822 237 A HN 0.370 nan 8.150 nan 0.000 0.443 238 F N 1.185 121.161 119.950 0.043 0.000 2.095 238 F HA -0.115 4.412 4.527 -0.000 0.000 0.298 238 F C 2.483 178.300 175.800 0.029 0.000 1.104 238 F CA 1.382 59.400 58.000 0.030 0.000 1.232 238 F CB -0.488 38.519 39.000 0.013 0.000 0.987 238 F HN 0.242 nan 8.300 nan 0.000 0.475 239 A N 0.374 123.225 122.820 0.052 0.000 1.978 239 A HA -0.211 4.108 4.320 -0.000 0.000 0.220 239 A C 2.206 179.715 177.584 -0.126 0.000 1.170 239 A CA 1.827 53.825 52.037 -0.064 0.000 0.636 239 A CB -0.701 18.319 19.000 0.034 0.000 0.810 239 A HN 0.526 nan 8.150 nan 0.000 0.448 240 R N -1.757 118.707 120.500 -0.060 0.000 2.317 240 R HA 0.245 4.585 4.340 -0.000 0.000 0.208 240 R C 1.143 177.450 176.300 0.012 0.000 0.914 240 R CA 0.524 56.622 56.100 -0.005 0.000 1.060 240 R CB 0.039 30.372 30.300 0.055 0.000 1.015 240 R HN 0.676 nan 8.270 nan 0.000 0.498 241 G N 1.017 109.750 108.800 -0.111 0.000 2.136 241 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.242 241 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.242 241 G C -0.069 174.803 174.900 -0.047 0.000 0.989 241 G CA -0.280 44.738 45.100 -0.137 0.000 0.682 241 G HN 0.128 nan 8.290 nan 0.000 0.522 242 I N 0.422 121.007 120.570 0.025 0.000 2.433 242 I HA 0.377 4.546 4.170 -0.000 0.000 0.292 242 I C 0.402 176.549 176.117 0.050 0.000 1.001 242 I CA -1.152 60.161 61.300 0.022 0.000 1.119 242 I CB 1.700 39.718 38.000 0.031 0.000 1.289 242 I HN 0.023 nan 8.210 nan 0.000 0.438 243 K N 5.447 125.858 120.400 0.019 0.000 2.258 243 K HA 0.397 4.717 4.320 -0.000 0.000 0.284 243 K C -0.701 175.895 176.600 -0.006 0.000 1.051 243 K CA -0.645 55.661 56.287 0.031 0.000 0.923 243 K CB 1.481 33.995 32.500 0.023 0.000 1.046 243 K HN 0.270 nan 8.250 nan 0.000 0.474 244 L N 3.275 124.498 121.223 0.000 0.000 2.301 244 L HA 0.174 4.514 4.340 -0.000 0.000 0.278 244 L C 0.114 176.936 176.870 -0.081 0.000 1.022 244 L CA 0.049 54.873 54.840 -0.027 0.000 0.854 244 L CB 0.823 42.900 42.059 0.031 0.000 1.226 244 L HN 0.741 nan 8.230 nan 0.000 0.429 245 S N 3.191 118.831 115.700 -0.101 0.000 2.552 245 S HA 0.383 4.853 4.470 -0.000 0.000 0.271 245 S C 0.969 175.421 174.600 -0.247 0.000 1.168 245 S CA -0.222 57.867 58.200 -0.186 0.000 1.026 245 S CB 0.085 63.258 63.200 -0.046 0.000 1.120 245 S HN 0.425 nan 8.310 nan 0.000 0.514 246 F N 0.153 120.043 119.950 -0.101 0.000 2.512 246 F HA 0.186 4.712 4.527 -0.000 0.000 0.296 246 F C 2.488 177.948 175.800 -0.567 0.000 1.110 246 F CA 0.144 57.929 58.000 -0.357 0.000 1.446 246 F CB -0.454 38.109 39.000 -0.727 0.000 1.092 246 F HN 0.233 nan 8.300 nan 0.000 0.554 247 M N 0.319 119.829 119.600 -0.150 0.000 2.106 247 M HA -0.142 4.337 4.480 -0.000 0.000 0.259 247 M C -0.538 175.794 176.300 0.054 0.000 1.068 247 M CA 1.857 57.163 55.300 0.009 0.000 1.100 247 M CB -2.352 30.323 32.600 0.124 0.000 1.351 247 M HN -0.033 nan 8.290 nan 0.000 0.404 248 P HA -0.131 nan 4.420 nan 0.000 0.216 248 P C 1.474 178.680 177.300 -0.156 0.000 1.150 248 P CA 1.317 64.324 63.100 -0.155 0.000 0.837 248 P CB -0.266 31.216 31.700 -0.365 0.000 0.786 249 F N -2.069 117.867 119.950 -0.023 0.000 2.113 249 F HA -0.120 4.406 4.527 -0.000 0.000 0.297 249 F C 2.175 178.122 175.800 0.246 0.000 1.103 249 F CA 1.073 59.103 58.000 0.050 0.000 1.248 249 F CB -1.406 37.591 39.000 -0.005 0.000 0.999 249 F HN -0.178 nan 8.300 nan 0.000 0.475 250 F N -0.186 120.010 119.950 0.410 0.000 2.126 250 F HA -0.203 4.323 4.527 -0.000 0.000 0.299 250 F C 2.210 178.344 175.800 0.557 0.000 1.096 250 F CA 0.713 59.014 58.000 0.501 0.000 1.255 250 F CB -1.473 37.856 39.000 0.548 0.000 0.997 250 F HN -0.069 nan 8.300 nan 0.000 0.479 251 L N 0.079 121.636 121.223 0.556 0.000 2.005 251 L HA -0.170 4.170 4.340 -0.000 0.000 0.207 251 L C 2.447 179.505 176.870 0.314 0.000 1.072 251 L CA 1.674 56.755 54.840 0.401 0.000 0.744 251 L CB -1.481 40.732 42.059 0.256 0.000 0.895 251 L HN 0.033 nan 8.230 nan 0.000 0.433 252 K N 0.009 120.538 120.400 0.215 0.000 2.057 252 K HA -0.066 4.254 4.320 -0.000 0.000 0.207 252 K C 2.018 178.702 176.600 0.140 0.000 1.049 252 K CA 1.537 57.903 56.287 0.132 0.000 0.931 252 K CB -0.473 32.048 32.500 0.036 0.000 0.714 252 K HN 0.221 nan 8.250 nan 0.000 0.440 253 A N 0.320 123.262 122.820 0.204 0.000 1.972 253 A HA -0.050 4.270 4.320 -0.000 0.000 0.219 253 A C 2.310 180.162 177.584 0.447 0.000 1.169 253 A CA 1.969 54.113 52.037 0.178 0.000 0.635 253 A CB -0.891 18.171 19.000 0.103 0.000 0.810 253 A HN 0.414 nan 8.150 nan 0.000 0.446 254 A N -0.795 122.402 122.820 0.628 0.000 1.873 254 A HA -0.067 4.253 4.320 -0.000 0.000 0.215 254 A C 2.481 180.208 177.584 0.239 0.000 1.186 254 A CA 2.031 54.388 52.037 0.533 0.000 0.616 254 A CB -1.021 18.278 19.000 0.499 0.000 0.823 254 A HN 0.591 nan 8.150 nan 0.000 0.442 255 S N -0.301 115.513 115.700 0.190 0.000 2.359 255 S HA -0.151 4.319 4.470 -0.000 0.000 0.224 255 S C 1.983 176.719 174.600 0.227 0.000 1.035 255 S CA 1.593 59.903 58.200 0.183 0.000 1.018 255 S CB -0.573 62.834 63.200 0.345 0.000 0.876 255 S HN 0.467 nan 8.310 nan 0.000 0.448 256 L N 0.783 122.102 121.223 0.160 0.000 2.012 256 L HA -0.074 4.266 4.340 -0.000 0.000 0.210 256 L C 2.883 179.926 176.870 0.288 0.000 1.073 256 L CA 1.440 56.351 54.840 0.119 0.000 0.748 256 L CB -1.125 40.785 42.059 -0.247 0.000 0.891 256 L HN 0.513 nan 8.230 nan 0.000 0.431 257 G N -0.432 108.603 108.800 0.391 0.000 2.432 257 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.219 257 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.219 257 G C 1.482 176.712 174.900 0.550 0.000 1.135 257 G CA 0.261 45.670 45.100 0.515 0.000 0.767 257 G HN 0.111 nan 8.290 nan 0.000 0.550 258 L N 0.469 121.861 121.223 0.282 0.000 2.141 258 L HA 0.151 4.491 4.340 -0.000 0.000 0.209 258 L C 2.848 179.762 176.870 0.074 0.000 1.094 258 L CA 0.805 55.615 54.840 -0.049 0.000 0.763 258 L CB -0.913 40.770 42.059 -0.626 0.000 0.908 258 L HN 0.209 nan 8.230 nan 0.000 0.437 259 L N -1.102 120.242 121.223 0.201 0.000 2.127 259 L HA -0.238 4.102 4.340 -0.000 0.000 0.211 259 L C 2.458 179.347 176.870 0.032 0.000 1.089 259 L CA 1.011 55.951 54.840 0.167 0.000 0.757 259 L CB -0.435 41.723 42.059 0.165 0.000 0.899 259 L HN 0.342 nan 8.230 nan 0.000 0.434 260 Q N -0.957 118.829 119.800 -0.023 0.000 2.302 260 Q HA 0.066 4.405 4.340 -0.000 0.000 0.202 260 Q C 0.106 175.707 176.000 -0.665 0.000 0.936 260 Q CA 0.842 56.429 55.803 -0.360 0.000 0.886 260 Q CB 0.373 28.823 28.738 -0.480 0.000 0.986 260 Q HN 0.382 nan 8.270 nan 0.000 0.487 261 F N 1.256 121.249 119.950 0.071 0.000 2.523 261 F HA 0.294 4.821 4.527 -0.000 0.000 0.322 261 F C -1.633 174.144 175.800 -0.037 0.000 1.361 261 F CA -2.182 55.825 58.000 0.012 0.000 1.151 261 F CB 1.256 40.261 39.000 0.007 0.000 1.391 261 F HN -0.074 nan 8.300 nan 0.000 0.566 262 P HA -0.131 nan 4.420 nan 0.000 0.226 262 P C 2.001 179.415 177.300 0.190 0.000 1.153 262 P CA 1.073 64.266 63.100 0.155 0.000 0.777 262 P CB 0.617 32.429 31.700 0.187 0.000 0.794 263 I N -0.584 120.111 120.570 0.210 0.000 2.423 263 I HA -0.196 3.974 4.170 -0.000 0.000 0.254 263 I C 2.013 178.060 176.117 -0.118 0.000 1.151 263 I CA 0.987 62.300 61.300 0.022 0.000 1.421 263 I CB -0.165 37.877 38.000 0.070 0.000 1.079 263 I HN -0.157 nan 8.210 nan 0.000 0.431 264 L N 0.025 121.168 121.223 -0.133 0.000 2.376 264 L HA -0.106 4.234 4.340 -0.000 0.000 0.219 264 L C 0.810 177.613 176.870 -0.112 0.000 1.133 264 L CA 0.674 55.382 54.840 -0.219 0.000 0.816 264 L CB -0.449 41.292 42.059 -0.530 0.000 0.933 264 L HN 0.245 nan 8.230 nan 0.000 0.449 265 N N 0.534 119.166 118.700 -0.113 0.000 2.908 265 N HA 0.433 5.173 4.740 -0.000 0.000 0.316 265 N C -0.719 174.781 175.510 -0.017 0.000 1.619 265 N CA -0.069 52.958 53.050 -0.038 0.000 1.045 265 N CB 0.504 38.934 38.487 -0.095 0.000 1.357 265 N HN 0.147 nan 8.380 nan 0.000 0.501 266 A N -0.386 122.388 122.820 -0.077 0.000 2.569 266 A HA 0.835 5.155 4.320 -0.000 0.000 0.290 266 A C -0.815 176.698 177.584 -0.119 0.000 1.136 266 A CA -0.604 51.335 52.037 -0.164 0.000 0.710 266 A CB 1.510 20.263 19.000 -0.412 0.000 1.303 266 A HN 0.217 nan 8.150 nan 0.000 0.413 267 S N -1.061 114.566 115.700 -0.122 0.000 2.599 267 S HA 0.761 5.231 4.470 -0.000 0.000 0.294 267 S C -0.454 174.087 174.600 -0.098 0.000 1.094 267 S CA -0.211 57.940 58.200 -0.083 0.000 0.931 267 S CB 1.737 64.913 63.200 -0.041 0.000 1.093 267 S HN 1.646 nan 8.310 nan 0.000 0.488 268 V N -0.181 119.689 119.914 -0.073 0.000 2.919 268 V HA 0.743 4.863 4.120 -0.000 0.000 0.316 268 V C -0.335 175.739 176.094 -0.034 0.000 1.077 268 V CA -1.109 61.156 62.300 -0.059 0.000 0.977 268 V CB 1.369 33.157 31.823 -0.059 0.000 1.039 268 V HN 0.868 nan 8.190 nan 0.000 0.441 269 D N 1.061 121.447 120.400 -0.023 0.000 2.348 269 D HA 0.163 4.803 4.640 -0.000 0.000 0.272 269 D C 0.997 177.291 176.300 -0.010 0.000 1.237 269 D CA 0.087 54.080 54.000 -0.013 0.000 1.042 269 D CB 0.228 41.024 40.800 -0.006 0.000 1.117 269 D HN 0.694 nan 8.370 nan 0.000 0.548 270 E N -0.312 119.885 120.200 -0.005 0.000 2.007 270 E HA -0.169 4.181 4.350 -0.000 0.000 0.194 270 E C 1.131 177.729 176.600 -0.003 0.000 0.999 270 E CA 1.219 57.617 56.400 -0.003 0.000 0.811 270 E CB -0.447 29.253 29.700 -0.001 0.000 0.762 270 E HN 0.463 nan 8.360 nan 0.000 0.450 271 N N 0.749 119.448 118.700 -0.002 0.000 2.362 271 N HA 0.010 4.750 4.740 -0.000 0.000 0.204 271 N C 0.008 175.516 175.510 -0.003 0.000 1.166 271 N CA 0.156 53.205 53.050 -0.002 0.000 0.831 271 N CB 0.113 38.600 38.487 -0.000 0.000 1.008 271 N HN 0.176 nan 8.380 nan 0.000 0.472 272 C N 0.973 120.269 119.300 -0.007 0.000 4.209 272 C HA -0.150 4.310 4.460 -0.000 0.000 0.305 272 C C 1.201 176.186 174.990 -0.007 0.000 1.339 272 C CA 0.271 59.282 59.018 -0.012 0.000 2.062 272 C CB -2.292 25.441 27.740 -0.012 0.000 1.307 272 C HN 0.551 nan 8.230 nan 0.000 0.706 273 Q N -0.255 119.542 119.800 -0.005 0.000 2.281 273 Q HA 0.196 4.536 4.340 -0.000 0.000 0.215 273 Q C 0.243 176.246 176.000 0.004 0.000 0.867 273 Q CA 0.535 56.338 55.803 0.001 0.000 0.940 273 Q CB 0.316 29.055 28.738 0.003 0.000 1.111 273 Q HN 0.919 nan 8.270 nan 0.000 0.513 274 N N 0.303 119.003 118.700 -0.001 0.000 2.324 274 N HA 0.415 5.154 4.740 -0.000 0.000 0.285 274 N C -1.427 174.074 175.510 -0.015 0.000 1.076 274 N CA -0.440 52.613 53.050 0.006 0.000 0.864 274 N CB 2.290 40.785 38.487 0.013 0.000 1.632 274 N HN -0.071 nan 8.380 nan 0.000 0.478 275 I N 1.031 121.593 120.570 -0.013 0.000 2.392 275 I HA 0.355 4.525 4.170 -0.000 0.000 0.295 275 I C -0.210 175.875 176.117 -0.054 0.000 0.985 275 I CA -0.461 60.779 61.300 -0.100 0.000 1.221 275 I CB 1.646 39.521 38.000 -0.208 0.000 1.366 275 I HN 0.398 nan 8.210 nan 0.000 0.467 276 T N 5.336 119.831 114.554 -0.099 0.000 2.788 276 T HA 0.381 4.730 4.350 -0.000 0.000 0.296 276 T C -0.599 174.060 174.700 -0.068 0.000 1.009 276 T CA -0.354 61.738 62.100 -0.014 0.000 0.949 276 T CB 0.037 68.908 68.868 0.006 0.000 0.946 276 T HN 0.144 nan 8.240 nan 0.000 0.453 277 Y N 2.806 123.113 120.300 0.012 0.000 2.393 277 Y HA 0.298 4.848 4.550 -0.000 0.000 0.338 277 Y C 1.092 177.007 175.900 0.026 0.000 1.029 277 Y CA -0.352 57.757 58.100 0.016 0.000 1.239 277 Y CB 0.583 39.050 38.460 0.012 0.000 1.170 277 Y HN 0.292 nan 8.280 nan 0.000 0.515 278 K N 2.325 122.811 120.400 0.144 0.000 2.213 278 K HA 0.525 4.845 4.320 -0.000 0.000 0.270 278 K C 0.405 177.087 176.600 0.137 0.000 1.002 278 K CA -0.346 56.010 56.287 0.114 0.000 0.868 278 K CB 1.741 34.292 32.500 0.084 0.000 1.093 278 K HN 0.806 nan 8.250 nan 0.000 0.454 279 A N 2.454 125.334 122.820 0.100 0.000 1.929 279 A HA -0.011 4.309 4.320 -0.000 0.000 0.216 279 A C 0.749 178.357 177.584 0.039 0.000 1.176 279 A CA 0.934 53.011 52.037 0.068 0.000 0.628 279 A CB 0.095 19.113 19.000 0.031 0.000 0.816 279 A HN 0.584 nan 8.150 nan 0.000 0.444 280 S N 0.422 116.156 115.700 0.056 0.000 2.548 280 S HA 0.273 4.743 4.470 -0.000 0.000 0.277 280 S C -0.486 174.208 174.600 0.157 0.000 1.315 280 S CA -0.288 57.934 58.200 0.037 0.000 1.050 280 S CB 0.024 63.254 63.200 0.050 0.000 0.918 280 S HN 0.566 nan 8.310 nan 0.000 0.497 281 H N 2.858 121.955 119.070 0.045 0.000 2.908 281 H HA 0.206 4.762 4.556 -0.000 0.000 0.269 281 H C -0.414 174.960 175.328 0.077 0.000 1.303 281 H CA -0.728 55.355 56.048 0.057 0.000 1.341 281 H CB 0.039 29.828 29.762 0.045 0.000 1.519 281 H HN 0.357 nan 8.280 nan 0.000 0.505 282 N N 4.638 123.460 118.700 0.204 0.000 2.678 282 N HA 0.180 4.920 4.740 -0.000 0.000 0.231 282 N C -0.443 175.173 175.510 0.176 0.000 1.038 282 N CA -0.180 52.962 53.050 0.154 0.000 0.932 282 N CB 0.888 39.443 38.487 0.112 0.000 1.176 282 N HN 0.522 nan 8.380 nan 0.000 0.511 283 I N 0.666 121.353 120.570 0.194 0.000 2.304 283 I HA 0.273 4.443 4.170 -0.000 0.000 0.291 283 I C 1.261 177.488 176.117 0.184 0.000 1.018 283 I CA -0.783 60.665 61.300 0.246 0.000 1.260 283 I CB 1.124 39.310 38.000 0.310 0.000 1.390 283 I HN 0.264 nan 8.210 nan 0.000 0.475 284 G N 7.359 116.252 108.800 0.156 0.000 2.467 284 G HA2 0.448 4.408 3.960 -0.000 0.000 0.257 284 G HA3 0.448 4.408 3.960 -0.000 0.000 0.257 284 G C -0.262 174.702 174.900 0.107 0.000 1.227 284 G CA -0.377 44.786 45.100 0.105 0.000 0.835 284 G HN 0.432 nan 8.290 nan 0.000 0.556 285 I N 1.844 122.469 120.570 0.092 0.000 2.390 285 I HA 0.316 4.486 4.170 -0.000 0.000 0.283 285 I C 0.716 176.875 176.117 0.070 0.000 1.016 285 I CA -1.315 60.040 61.300 0.092 0.000 1.151 285 I CB 0.663 38.716 38.000 0.088 0.000 1.293 285 I HN 0.530 nan 8.210 nan 0.000 0.458 286 A N 8.405 131.260 122.820 0.059 0.000 2.492 286 A HA 0.569 4.889 4.320 -0.000 0.000 0.254 286 A C 0.116 177.733 177.584 0.054 0.000 1.091 286 A CA 0.103 52.169 52.037 0.050 0.000 0.768 286 A CB 0.216 19.235 19.000 0.032 0.000 1.028 286 A HN 0.754 nan 8.150 nan 0.000 0.498 287 M N 2.455 122.090 119.600 0.057 0.000 2.395 287 M HA 0.319 4.799 4.480 -0.000 0.000 0.307 287 M C -1.356 174.981 176.300 0.062 0.000 1.091 287 M CA -0.616 54.717 55.300 0.054 0.000 0.919 287 M CB 2.271 34.898 32.600 0.046 0.000 1.662 287 M HN 0.584 nan 8.290 nan 0.000 0.440 288 D N 1.868 122.303 120.400 0.057 0.000 2.217 288 D HA 0.383 5.023 4.640 -0.000 0.000 0.243 288 D C 0.373 176.708 176.300 0.057 0.000 1.054 288 D CA 0.012 54.052 54.000 0.068 0.000 0.838 288 D CB 2.099 42.936 40.800 0.062 0.000 1.162 288 D HN 0.685 nan 8.370 nan 0.000 0.472 289 T N -0.593 113.998 114.554 0.062 0.000 2.507 289 T HA 0.188 4.538 4.350 -0.000 0.000 0.180 289 T C 0.918 175.645 174.700 0.045 0.000 0.681 289 T CA -0.108 62.015 62.100 0.038 0.000 1.959 289 T CB 0.373 69.246 68.868 0.009 0.000 2.896 289 T HN 0.279 nan 8.240 nan 0.000 0.391 290 E N 0.318 120.543 120.200 0.042 0.000 2.562 290 E HA 0.146 4.496 4.350 -0.000 0.000 0.214 290 E C 1.988 178.647 176.600 0.099 0.000 0.979 290 E CA -0.218 56.220 56.400 0.063 0.000 1.002 290 E CB 0.553 30.279 29.700 0.043 0.000 1.048 290 E HN 0.405 nan 8.360 nan 0.000 0.488 291 Q N -0.027 119.820 119.800 0.078 0.000 2.165 291 Q HA 0.115 4.455 4.340 -0.000 0.000 0.197 291 Q C 1.031 177.107 176.000 0.127 0.000 0.952 291 Q CA 0.855 56.689 55.803 0.052 0.000 0.848 291 Q CB 0.816 29.501 28.738 -0.088 0.000 0.931 291 Q HN 0.175 nan 8.270 nan 0.000 0.470 292 G N 1.499 110.458 108.800 0.265 0.000 2.509 292 G HA2 0.228 4.188 3.960 -0.000 0.000 0.216 292 G HA3 0.228 4.188 3.960 -0.000 0.000 0.216 292 G C -1.701 173.348 174.900 0.249 0.000 3.092 292 G CA -0.829 44.463 45.100 0.321 0.000 0.700 292 G HN 0.090 nan 8.290 nan 0.000 0.451 293 L N 3.140 124.518 121.223 0.258 0.000 2.325 293 L HA 0.840 5.180 4.340 -0.000 0.000 0.284 293 L C -0.317 176.726 176.870 0.289 0.000 1.089 293 L CA -0.515 54.434 54.840 0.182 0.000 0.836 293 L CB 0.556 42.670 42.059 0.093 0.000 1.184 293 L HN 0.429 nan 8.230 nan 0.000 0.444 294 I N 4.897 125.585 120.570 0.197 0.000 2.545 294 I HA 0.465 4.635 4.170 -0.000 0.000 0.292 294 I C -1.004 175.176 176.117 0.105 0.000 1.040 294 I CA -0.678 60.726 61.300 0.173 0.000 1.068 294 I CB 2.067 40.107 38.000 0.066 0.000 1.251 294 I HN 0.366 nan 8.210 nan 0.000 0.424 295 V N 8.552 128.527 119.914 0.101 0.000 2.383 295 V HA 0.315 4.434 4.120 -0.000 0.000 0.261 295 V C -2.217 173.917 176.094 0.066 0.000 0.987 295 V CA -1.176 61.169 62.300 0.075 0.000 0.853 295 V CB 0.585 32.448 31.823 0.067 0.000 1.095 295 V HN 0.578 nan 8.190 nan 0.000 0.461 296 P HA 0.283 nan 4.420 nan 0.000 0.274 296 P C -0.895 176.439 177.300 0.056 0.000 1.237 296 P CA -0.106 63.020 63.100 0.045 0.000 0.793 296 P CB 1.177 32.894 31.700 0.028 0.000 0.977 297 N N -0.903 117.831 118.700 0.057 0.000 2.312 297 N HA 0.416 5.156 4.740 -0.000 0.000 0.296 297 N C -1.186 174.363 175.510 0.065 0.000 1.193 297 N CA -1.104 51.990 53.050 0.074 0.000 0.773 297 N CB 1.088 39.627 38.487 0.087 0.000 1.435 297 N HN -0.036 nan 8.380 nan 0.000 0.484 298 V N 1.543 121.505 119.914 0.079 0.000 2.389 298 V HA 0.181 4.301 4.120 -0.000 0.000 0.264 298 V C 0.161 176.300 176.094 0.075 0.000 1.049 298 V CA -0.656 61.683 62.300 0.065 0.000 0.932 298 V CB 0.029 31.893 31.823 0.068 0.000 1.011 298 V HN 0.570 nan 8.190 nan 0.000 0.475 299 K N 4.298 124.730 120.400 0.054 0.000 2.448 299 K HA 0.084 4.404 4.320 -0.000 0.000 0.278 299 K C 0.764 177.394 176.600 0.050 0.000 1.009 299 K CA 0.190 56.509 56.287 0.053 0.000 0.995 299 K CB -0.104 32.416 32.500 0.034 0.000 0.917 299 K HN 0.705 nan 8.250 nan 0.000 0.481 300 N N 0.917 119.650 118.700 0.056 0.000 2.738 300 N HA -0.169 4.571 4.740 -0.000 0.000 0.249 300 N C 0.762 176.288 175.510 0.027 0.000 1.047 300 N CA 0.650 53.714 53.050 0.023 0.000 0.707 300 N CB -1.506 36.982 38.487 0.002 0.000 0.937 300 N HN 0.324 nan 8.380 nan 0.000 0.545 301 V N 0.494 120.457 119.914 0.082 0.000 2.453 301 V HA -0.321 3.799 4.120 -0.000 0.000 0.252 301 V C 2.594 178.724 176.094 0.060 0.000 1.068 301 V CA 2.423 64.781 62.300 0.096 0.000 1.070 301 V CB -0.242 31.682 31.823 0.168 0.000 0.664 301 V HN 0.611 nan 8.190 nan 0.000 0.461 302 Q N 1.439 121.233 119.800 -0.011 0.000 2.364 302 Q HA -0.153 4.187 4.340 -0.000 0.000 0.209 302 Q C 1.686 177.655 176.000 -0.050 0.000 0.977 302 Q CA 2.172 57.927 55.803 -0.079 0.000 0.885 302 Q CB -0.610 27.916 28.738 -0.353 0.000 0.941 302 Q HN 0.838 nan 8.270 nan 0.000 0.464 303 I N -2.936 117.612 120.570 -0.036 0.000 3.927 303 I HA 0.408 4.577 4.170 -0.000 0.000 0.332 303 I C 0.224 176.339 176.117 -0.004 0.000 1.485 303 I CA -0.685 60.602 61.300 -0.021 0.000 1.131 303 I CB 0.387 38.372 38.000 -0.025 0.000 1.092 303 I HN -0.173 nan 8.210 nan 0.000 0.410 304 R N 1.604 122.106 120.500 0.003 0.000 2.637 304 R HA 0.530 4.869 4.340 -0.000 0.000 0.291 304 R C 0.094 176.399 176.300 0.007 0.000 0.963 304 R CA -0.522 55.582 56.100 0.006 0.000 0.901 304 R CB 2.204 32.506 30.300 0.003 0.000 1.160 304 R HN 0.406 nan 8.270 nan 0.000 0.457 305 S N 1.358 117.068 115.700 0.017 0.000 2.614 305 S HA 0.151 4.620 4.470 -0.000 0.000 0.265 305 S C 1.584 176.175 174.600 -0.014 0.000 1.303 305 S CA -0.658 57.554 58.200 0.019 0.000 1.000 305 S CB 0.614 63.852 63.200 0.063 0.000 0.935 305 S HN 0.601 nan 8.310 nan 0.000 0.551 306 I N 0.159 120.696 120.570 -0.056 0.000 2.248 306 I HA -0.188 3.982 4.170 -0.000 0.000 0.248 306 I C 2.107 178.142 176.117 -0.137 0.000 1.107 306 I CA 1.818 63.012 61.300 -0.177 0.000 1.373 306 I CB -0.388 37.398 38.000 -0.357 0.000 1.055 306 I HN 0.756 nan 8.210 nan 0.000 0.418 307 F N 1.648 121.505 119.950 -0.154 0.000 2.128 307 F HA -0.158 4.368 4.527 -0.000 0.000 0.295 307 F C 2.382 178.133 175.800 -0.082 0.000 1.100 307 F CA 1.563 59.494 58.000 -0.115 0.000 1.260 307 F CB -0.278 38.674 39.000 -0.079 0.000 1.009 307 F HN -0.009 nan 8.300 nan 0.000 0.476 308 E N 0.654 120.791 120.200 -0.105 0.000 2.097 308 E HA -0.245 4.105 4.350 -0.000 0.000 0.196 308 E C 2.280 178.762 176.600 -0.197 0.000 1.000 308 E CA 1.977 58.272 56.400 -0.176 0.000 0.804 308 E CB -0.326 29.360 29.700 -0.024 0.000 0.740 308 E HN 0.513 nan 8.360 nan 0.000 0.454 309 I N 0.931 121.415 120.570 -0.143 0.000 2.226 309 I HA -0.282 3.887 4.170 -0.000 0.000 0.245 309 I C 2.559 178.579 176.117 -0.161 0.000 1.100 309 I CA 0.969 62.201 61.300 -0.113 0.000 1.374 309 I CB -0.382 37.574 38.000 -0.073 0.000 1.057 309 I HN 0.099 nan 8.210 nan 0.000 0.413 310 A N 0.613 123.290 122.820 -0.238 0.000 1.877 310 A HA -0.209 4.110 4.320 -0.000 0.000 0.216 310 A C 2.401 179.814 177.584 -0.286 0.000 1.186 310 A CA 2.504 54.393 52.037 -0.246 0.000 0.620 310 A CB -1.180 17.661 19.000 -0.264 0.000 0.822 310 A HN 0.388 nan 8.150 nan 0.000 0.443 311 T N -0.345 113.934 114.554 -0.458 0.000 2.635 311 T HA -0.206 4.144 4.350 -0.000 0.000 0.267 311 T C 1.910 176.488 174.700 -0.203 0.000 1.040 311 T CA 1.962 63.830 62.100 -0.387 0.000 1.156 311 T CB -0.290 68.284 68.868 -0.491 0.000 0.863 311 T HN 0.651 nan 8.240 nan 0.000 0.430 312 E N 0.722 120.824 120.200 -0.163 0.000 2.106 312 E HA -0.000 4.350 4.350 -0.000 0.000 0.192 312 E C 2.077 178.639 176.600 -0.063 0.000 0.984 312 E CA 0.750 57.096 56.400 -0.090 0.000 0.806 312 E CB -0.535 29.126 29.700 -0.064 0.000 0.750 312 E HN 0.435 nan 8.360 nan 0.000 0.458 313 L N 0.517 121.700 121.223 -0.067 0.000 2.012 313 L HA -0.226 4.113 4.340 -0.000 0.000 0.210 313 L C 2.209 179.055 176.870 -0.040 0.000 1.073 313 L CA 1.628 56.445 54.840 -0.038 0.000 0.748 313 L CB -0.460 41.577 42.059 -0.037 0.000 0.891 313 L HN 0.309 nan 8.230 nan 0.000 0.431 314 N N -0.665 117.995 118.700 -0.066 0.000 2.104 314 N HA -0.261 4.479 4.740 -0.000 0.000 0.190 314 N C 1.947 177.430 175.510 -0.044 0.000 1.024 314 N CA 1.132 54.148 53.050 -0.055 0.000 0.853 314 N CB -0.119 38.321 38.487 -0.078 0.000 1.008 314 N HN 0.281 nan 8.380 nan 0.000 0.424 315 R N 1.369 121.837 120.500 -0.053 0.000 2.080 315 R HA -0.090 4.250 4.340 -0.000 0.000 0.236 315 R C 2.297 178.580 176.300 -0.027 0.000 1.137 315 R CA 1.101 57.177 56.100 -0.041 0.000 0.943 315 R CB -0.238 30.035 30.300 -0.045 0.000 0.846 315 R HN 0.192 nan 8.270 nan 0.000 0.431 316 L N 0.402 121.612 121.223 -0.022 0.000 2.046 316 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 316 L C 2.659 179.525 176.870 -0.007 0.000 1.077 316 L CA 1.451 56.285 54.840 -0.011 0.000 0.747 316 L CB -0.522 41.538 42.059 0.001 0.000 0.896 316 L HN 0.329 nan 8.230 nan 0.000 0.432 317 Q N 0.173 119.969 119.800 -0.006 0.000 2.096 317 Q HA -0.277 4.063 4.340 -0.000 0.000 0.204 317 Q C 2.219 178.215 176.000 -0.007 0.000 0.982 317 Q CA 1.853 57.655 55.803 -0.001 0.000 0.850 317 Q CB -0.133 28.606 28.738 0.001 0.000 0.901 317 Q HN 0.361 nan 8.270 nan 0.000 0.422 318 K N 0.930 121.322 120.400 -0.013 0.000 2.002 318 K HA -0.151 4.169 4.320 -0.000 0.000 0.209 318 K C 1.906 178.496 176.600 -0.017 0.000 1.048 318 K CA 1.143 57.422 56.287 -0.014 0.000 0.930 318 K CB -0.083 32.407 32.500 -0.018 0.000 0.714 318 K HN 0.113 nan 8.250 nan 0.000 0.438 319 L N -0.054 121.157 121.223 -0.020 0.000 2.109 319 L HA -0.019 4.321 4.340 -0.000 0.000 0.207 319 L C 2.578 179.430 176.870 -0.030 0.000 1.086 319 L CA 1.088 55.913 54.840 -0.025 0.000 0.760 319 L CB -0.837 41.206 42.059 -0.027 0.000 0.910 319 L HN 0.468 nan 8.230 nan 0.000 0.437 320 G N 0.287 109.072 108.800 -0.024 0.000 2.491 320 G HA2 -0.354 3.605 3.960 -0.000 0.000 0.218 320 G HA3 -0.354 3.605 3.960 -0.000 0.000 0.218 320 G C 1.782 176.667 174.900 -0.024 0.000 1.180 320 G CA 1.277 46.363 45.100 -0.024 0.000 0.774 320 G HN 0.504 nan 8.290 nan 0.000 0.562 321 S N 0.269 115.961 115.700 -0.014 0.000 2.489 321 S HA 0.420 4.889 4.470 -0.000 0.000 0.228 321 S C 2.142 176.733 174.600 -0.016 0.000 0.995 321 S CA 1.094 59.288 58.200 -0.010 0.000 0.934 321 S CB 0.054 63.253 63.200 -0.002 0.000 0.771 321 S HN 0.612 nan 8.310 nan 0.000 0.522 322 A N 0.549 123.355 122.820 -0.022 0.000 2.275 322 A HA 0.614 4.933 4.320 -0.000 0.000 0.212 322 A C 1.673 179.234 177.584 -0.038 0.000 1.201 322 A CA 0.323 52.345 52.037 -0.025 0.000 0.843 322 A CB -1.045 17.941 19.000 -0.022 0.000 0.873 322 A HN 1.446 nan 8.150 nan 0.000 0.492 323 G N -0.557 108.212 108.800 -0.052 0.000 2.179 323 G HA2 -0.311 3.648 3.960 -0.000 0.000 0.257 323 G HA3 -0.311 3.648 3.960 -0.000 0.000 0.257 323 G C 0.432 175.282 174.900 -0.083 0.000 1.010 323 G CA 0.714 45.765 45.100 -0.081 0.000 0.736 323 G HN 0.614 nan 8.290 nan 0.000 0.513 324 Q N -0.897 118.865 119.800 -0.064 0.000 2.198 324 Q HA 0.392 4.731 4.340 -0.000 0.000 0.209 324 Q C 1.091 177.058 176.000 -0.055 0.000 0.848 324 Q CA -0.391 55.379 55.803 -0.056 0.000 0.974 324 Q CB 0.600 29.314 28.738 -0.039 0.000 1.115 324 Q HN 0.613 nan 8.270 nan 0.000 0.494 325 L N 2.117 123.301 121.223 -0.065 0.000 2.525 325 L HA -0.015 4.325 4.340 -0.000 0.000 0.278 325 L C 0.786 177.623 176.870 -0.055 0.000 1.218 325 L CA 0.033 54.840 54.840 -0.054 0.000 0.878 325 L CB 0.323 42.347 42.059 -0.059 0.000 1.127 325 L HN 0.158 nan 8.230 nan 0.000 0.492 326 S N 0.779 116.458 115.700 -0.035 0.000 2.693 326 S HA 0.227 4.696 4.470 -0.000 0.000 0.276 326 S C 1.041 175.631 174.600 -0.017 0.000 1.192 326 S CA -0.534 57.650 58.200 -0.027 0.000 0.994 326 S CB 1.564 64.754 63.200 -0.017 0.000 1.012 326 S HN 0.629 nan 8.310 nan 0.000 0.550 327 T N 2.206 116.755 114.554 -0.009 0.000 2.665 327 T HA -0.140 4.210 4.350 -0.000 0.000 0.268 327 T C 1.638 176.345 174.700 0.012 0.000 1.035 327 T CA 1.949 64.052 62.100 0.005 0.000 1.151 327 T CB -0.733 68.141 68.868 0.009 0.000 0.862 327 T HN 0.643 nan 8.240 nan 0.000 0.438 328 N N 1.251 119.956 118.700 0.008 0.000 2.289 328 N HA -0.082 4.658 4.740 -0.000 0.000 0.184 328 N C 1.436 176.955 175.510 0.016 0.000 1.016 328 N CA 0.875 53.933 53.050 0.013 0.000 0.872 328 N CB -0.354 38.138 38.487 0.009 0.000 0.973 328 N HN 0.419 nan 8.380 nan 0.000 0.433 329 D N 0.127 120.533 120.400 0.010 0.000 2.264 329 D HA -0.049 4.590 4.640 -0.000 0.000 0.208 329 D C 1.489 177.804 176.300 0.025 0.000 0.966 329 D CA 0.416 54.424 54.000 0.014 0.000 0.864 329 D CB 0.257 41.059 40.800 0.003 0.000 0.933 329 D HN 0.135 nan 8.370 nan 0.000 0.499 330 L N 0.380 121.619 121.223 0.027 0.000 2.408 330 L HA 0.236 4.576 4.340 -0.000 0.000 0.215 330 L C 1.141 178.041 176.870 0.050 0.000 1.081 330 L CA 0.323 55.189 54.840 0.043 0.000 0.840 330 L CB -0.355 41.733 42.059 0.047 0.000 1.002 330 L HN 0.023 nan 8.230 nan 0.000 0.468 331 I N -3.845 116.751 120.570 0.042 0.000 3.062 331 I HA 0.663 4.833 4.170 -0.000 0.000 0.318 331 I C 1.329 177.472 176.117 0.043 0.000 1.026 331 I CA -0.152 61.173 61.300 0.042 0.000 1.096 331 I CB 0.919 38.940 38.000 0.035 0.000 1.348 331 I HN 0.197 nan 8.210 nan 0.000 0.543 332 G N 1.778 110.604 108.800 0.043 0.000 2.162 332 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.260 332 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.260 332 G C 0.544 175.480 174.900 0.060 0.000 0.976 332 G CA -0.022 45.106 45.100 0.047 0.000 0.655 332 G HN 1.351 nan 8.290 nan 0.000 0.533 333 G N -0.423 108.414 108.800 0.061 0.000 2.432 333 G HA2 0.518 4.477 3.960 -0.000 0.000 0.239 333 G HA3 0.518 4.477 3.960 -0.000 0.000 0.239 333 G C 1.044 175.993 174.900 0.082 0.000 1.291 333 G CA 1.139 46.286 45.100 0.077 0.000 0.863 333 G HN 1.336 nan 8.290 nan 0.000 0.560 334 T N -1.278 113.347 114.554 0.119 0.000 2.958 334 T HA 0.381 4.731 4.350 -0.000 0.000 0.256 334 T C -0.017 174.801 174.700 0.196 0.000 0.983 334 T CA -0.112 62.064 62.100 0.127 0.000 0.924 334 T CB 0.176 69.124 68.868 0.133 0.000 1.136 334 T HN 0.532 nan 8.240 nan 0.000 0.506 335 F N 1.055 121.013 119.950 0.014 0.000 2.703 335 F HA 0.576 5.103 4.527 -0.000 0.000 0.308 335 F C -1.892 173.939 175.800 0.051 0.000 1.126 335 F CA -0.371 57.631 58.000 0.004 0.000 0.959 335 F CB 1.875 40.857 39.000 -0.030 0.000 1.297 335 F HN -0.048 nan 8.300 nan 0.000 0.441 336 T N 5.361 119.647 114.554 -0.446 0.000 2.893 336 T HA 0.670 5.019 4.350 -0.000 0.000 0.293 336 T C -1.206 173.351 174.700 -0.238 0.000 1.027 336 T CA -0.611 61.373 62.100 -0.193 0.000 0.988 336 T CB 1.791 70.581 68.868 -0.131 0.000 1.043 336 T HN 0.511 nan 8.240 nan 0.000 0.461 337 L N 1.728 122.959 121.223 0.012 0.000 2.346 337 L HA 0.734 5.074 4.340 -0.000 0.000 0.274 337 L C -0.064 176.827 176.870 0.034 0.000 1.007 337 L CA -0.845 54.023 54.840 0.045 0.000 0.818 337 L CB 2.122 44.312 42.059 0.218 0.000 1.284 337 L HN 0.574 nan 8.230 nan 0.000 0.424 338 S N 1.740 117.433 115.700 -0.012 0.000 2.733 338 S HA 0.256 4.726 4.470 -0.000 0.000 0.307 338 S C -0.379 174.229 174.600 0.014 0.000 1.127 338 S CA -0.666 57.536 58.200 0.003 0.000 1.097 338 S CB 0.491 63.674 63.200 -0.028 0.000 1.003 338 S HN 0.586 nan 8.310 nan 0.000 0.477 339 N N 5.334 124.077 118.700 0.072 0.000 3.178 339 N HA 0.113 4.852 4.740 -0.000 0.000 0.300 339 N C 1.487 177.031 175.510 0.056 0.000 1.242 339 N CA -0.413 52.696 53.050 0.099 0.000 1.192 339 N CB -0.426 38.167 38.487 0.175 0.000 1.463 339 N HN 0.836 nan 8.380 nan 0.000 0.539 340 I N -1.540 119.038 120.570 0.013 0.000 2.361 340 I HA -0.009 4.161 4.170 -0.000 0.000 0.251 340 I C 1.647 177.769 176.117 0.008 0.000 1.133 340 I CA 1.221 62.522 61.300 0.003 0.000 1.413 340 I CB -0.446 37.541 38.000 -0.023 0.000 1.073 340 I HN 0.248 nan 8.210 nan 0.000 0.424 341 G N 1.423 110.228 108.800 0.009 0.000 2.559 341 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.216 341 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.216 341 G C 1.748 176.671 174.900 0.039 0.000 1.126 341 G CA 0.846 45.951 45.100 0.008 0.000 0.778 341 G HN 0.639 nan 8.290 nan 0.000 0.543 342 S N 0.178 115.917 115.700 0.065 0.000 2.419 342 S HA -0.047 4.423 4.470 -0.000 0.000 0.235 342 S C 2.127 176.754 174.600 0.044 0.000 1.019 342 S CA 1.158 59.400 58.200 0.070 0.000 0.982 342 S CB -0.220 63.029 63.200 0.080 0.000 0.789 342 S HN 0.401 nan 8.310 nan 0.000 0.490 343 I N 0.412 120.999 120.570 0.030 0.000 2.899 343 I HA 0.417 4.586 4.170 -0.000 0.000 0.257 343 I C 1.453 177.574 176.117 0.007 0.000 1.115 343 I CA 0.490 61.801 61.300 0.018 0.000 1.451 343 I CB 0.004 38.013 38.000 0.015 0.000 1.251 343 I HN 0.544 nan 8.210 nan 0.000 0.456 344 G N -0.434 108.365 108.800 -0.002 0.000 2.430 344 G HA2 0.501 4.461 3.960 -0.000 0.000 0.300 344 G HA3 0.501 4.461 3.960 -0.000 0.000 0.300 344 G C -0.892 173.989 174.900 -0.032 0.000 1.330 344 G CA -0.043 45.047 45.100 -0.016 0.000 0.813 344 G HN 0.551 nan 8.290 nan 0.000 0.487 345 G N -2.391 106.382 108.800 -0.044 0.000 2.570 345 G HA2 0.502 4.462 3.960 -0.000 0.000 0.686 345 G HA3 0.502 4.462 3.960 -0.000 0.000 0.686 345 G C 0.321 175.155 174.900 -0.109 0.000 1.257 345 G CA 0.640 45.703 45.100 -0.062 0.000 0.846 345 G HN 2.129 nan 8.290 nan 0.000 0.627 346 T N -2.070 112.404 114.554 -0.133 0.000 3.330 346 T HA 0.537 4.887 4.350 -0.000 0.000 0.185 346 T C 0.900 175.390 174.700 -0.351 0.000 0.874 346 T CA 0.597 62.533 62.100 -0.273 0.000 1.268 346 T CB 0.169 68.894 68.868 -0.238 0.000 1.866 346 T HN 0.781 nan 8.240 nan 0.000 0.395 347 Y N 1.999 122.247 120.300 -0.086 0.000 2.334 347 Y HA 0.738 5.288 4.550 -0.000 0.000 0.325 347 Y C 0.698 176.541 175.900 -0.096 0.000 1.308 347 Y CA -0.304 57.733 58.100 -0.104 0.000 1.389 347 Y CB 0.840 39.239 38.460 -0.101 0.000 1.328 347 Y HN 0.874 nan 8.280 nan 0.000 0.532 348 A N 1.083 123.951 122.820 0.079 0.000 2.588 348 A HA 0.631 4.951 4.320 -0.000 0.000 0.290 348 A C -1.524 176.053 177.584 -0.012 0.000 1.136 348 A CA -0.980 51.060 52.037 0.006 0.000 0.681 348 A CB 1.931 20.910 19.000 -0.036 0.000 1.282 348 A HN 0.506 nan 8.150 nan 0.000 0.421 349 K N 1.917 122.301 120.400 -0.028 0.000 2.530 349 K HA 0.398 4.718 4.320 -0.000 0.000 0.230 349 K C -2.657 173.926 176.600 -0.028 0.000 1.002 349 K CA -1.446 54.821 56.287 -0.032 0.000 1.014 349 K CB 0.905 33.377 32.500 -0.047 0.000 1.286 349 K HN 0.616 nan 8.250 nan 0.000 0.480 350 P HA 0.186 nan 4.420 nan 0.000 0.276 350 P C -0.481 176.849 177.300 0.050 0.000 1.244 350 P CA -0.584 62.513 63.100 -0.006 0.000 0.801 350 P CB 1.162 32.844 31.700 -0.031 0.000 1.006 351 V N 2.862 122.803 119.914 0.046 0.000 2.394 351 V HA 0.227 4.347 4.120 -0.000 0.000 0.282 351 V C 0.850 177.050 176.094 0.178 0.000 1.031 351 V CA -0.742 61.635 62.300 0.128 0.000 0.881 351 V CB 0.812 32.652 31.823 0.028 0.000 0.982 351 V HN 0.395 nan 8.190 nan 0.000 0.451 352 I N 5.273 126.041 120.570 0.330 0.000 2.710 352 I HA 0.031 4.201 4.170 -0.000 0.000 0.286 352 I C -0.265 175.878 176.117 0.043 0.000 1.181 352 I CA -0.065 61.264 61.300 0.048 0.000 1.430 352 I CB 0.368 38.263 38.000 -0.175 0.000 1.367 352 I HN 0.290 nan 8.210 nan 0.000 0.577 353 L N 9.207 130.425 121.223 -0.009 0.000 2.270 353 L HA 0.385 4.724 4.340 -0.000 0.000 0.286 353 L C -2.098 174.766 176.870 -0.011 0.000 1.059 353 L CA -2.289 52.549 54.840 -0.003 0.000 0.839 353 L CB -0.245 41.809 42.059 -0.008 0.000 1.221 353 L HN 0.266 nan 8.230 nan 0.000 0.431 354 P HA 0.089 nan 4.420 nan 0.000 0.265 354 P C -1.925 175.373 177.300 -0.004 0.000 1.187 354 P CA -0.626 62.469 63.100 -0.009 0.000 0.766 354 P CB -0.015 31.685 31.700 -0.000 0.000 0.820 355 P HA 0.164 nan 4.420 nan 0.000 0.254 355 P C -0.121 177.163 177.300 -0.026 0.000 1.494 355 P CA 0.086 63.177 63.100 -0.016 0.000 0.961 355 P CB 0.289 31.983 31.700 -0.010 0.000 1.493 356 E N -0.023 120.162 120.200 -0.026 0.000 2.392 356 E HA 0.124 4.474 4.350 -0.000 0.000 0.256 356 E C 1.021 177.581 176.600 -0.067 0.000 1.145 356 E CA -0.229 56.150 56.400 -0.035 0.000 0.929 356 E CB 1.070 30.748 29.700 -0.037 0.000 0.998 356 E HN -0.050 nan 8.360 nan 0.000 0.442 357 V N -2.394 117.475 119.914 -0.074 0.000 3.556 357 V HA 0.584 4.704 4.120 -0.000 0.000 0.287 357 V C 0.153 176.176 176.094 -0.119 0.000 1.422 357 V CA 0.262 62.500 62.300 -0.103 0.000 1.038 357 V CB 0.227 31.987 31.823 -0.105 0.000 0.850 357 V HN 0.528 nan 8.190 nan 0.000 0.437 358 A N 0.151 122.896 122.820 -0.126 0.000 2.594 358 A HA 0.897 5.217 4.320 -0.000 0.000 0.295 358 A C -1.447 175.914 177.584 -0.372 0.000 1.071 358 A CA -0.484 51.454 52.037 -0.165 0.000 0.685 358 A CB 2.371 21.334 19.000 -0.061 0.000 1.285 358 A HN 0.629 nan 8.150 nan 0.000 0.405 359 I N 0.404 120.811 120.570 -0.272 0.000 2.775 359 I HA 0.694 4.864 4.170 -0.000 0.000 0.295 359 I C -0.184 175.903 176.117 -0.051 0.000 1.287 359 I CA -0.340 60.775 61.300 -0.309 0.000 1.029 359 I CB 2.207 40.108 38.000 -0.166 0.000 1.282 359 I HN 0.951 nan 8.210 nan 0.000 0.426 360 G N 5.140 113.859 108.800 -0.136 0.000 2.461 360 G HA2 0.779 4.739 3.960 -0.000 0.000 0.323 360 G HA3 0.779 4.739 3.960 -0.000 0.000 0.323 360 G C -1.416 173.238 174.900 -0.411 0.000 1.229 360 G CA -0.520 44.313 45.100 -0.445 0.000 0.941 360 G HN 0.817 nan 8.290 nan 0.000 0.477 361 A N 1.857 124.419 122.820 -0.431 0.000 2.330 361 A HA 0.800 5.120 4.320 -0.000 0.000 0.327 361 A C -0.553 176.837 177.584 -0.325 0.000 1.155 361 A CA -0.546 51.326 52.037 -0.276 0.000 0.803 361 A CB 0.979 19.878 19.000 -0.169 0.000 1.208 361 A HN 0.669 nan 8.150 nan 0.000 0.477 362 L N 2.658 123.754 121.223 -0.212 0.000 2.313 362 L HA 0.622 4.962 4.340 -0.000 0.000 0.283 362 L C 1.007 177.801 176.870 -0.126 0.000 1.013 362 L CA -0.404 54.319 54.840 -0.195 0.000 0.816 362 L CB 1.728 43.723 42.059 -0.107 0.000 1.236 362 L HN 0.826 nan 8.230 nan 0.000 0.419 363 G N 1.201 109.898 108.800 -0.171 0.000 2.535 363 G HA2 0.354 4.314 3.960 -0.000 0.000 0.282 363 G HA3 0.354 4.314 3.960 -0.000 0.000 0.282 363 G C -0.363 174.474 174.900 -0.105 0.000 1.350 363 G CA -0.448 44.561 45.100 -0.152 0.000 1.039 363 G HN 0.448 nan 8.290 nan 0.000 0.509 364 T N 0.897 115.391 114.554 -0.100 0.000 2.834 364 T HA 0.208 4.557 4.350 -0.000 0.000 0.298 364 T C 0.718 175.355 174.700 -0.104 0.000 0.966 364 T CA 0.202 62.258 62.100 -0.074 0.000 1.141 364 T CB 0.260 69.092 68.868 -0.061 0.000 0.905 364 T HN 0.235 nan 8.240 nan 0.000 0.535 365 I N 4.128 124.634 120.570 -0.107 0.000 2.598 365 I HA 0.186 4.356 4.170 -0.000 0.000 0.284 365 I C 0.701 176.756 176.117 -0.104 0.000 1.140 365 I CA 0.440 61.655 61.300 -0.143 0.000 1.420 365 I CB 0.207 38.066 38.000 -0.235 0.000 1.387 365 I HN 0.354 nan 8.210 nan 0.000 0.553 366 K N 5.097 125.436 120.400 -0.101 0.000 2.498 366 K HA 0.665 4.985 4.320 -0.000 0.000 0.254 366 K C -1.162 175.393 176.600 -0.074 0.000 0.933 366 K CA -0.795 55.446 56.287 -0.077 0.000 0.806 366 K CB 2.118 34.570 32.500 -0.080 0.000 1.301 366 K HN 0.637 nan 8.250 nan 0.000 0.432 367 A N 4.719 127.504 122.820 -0.059 0.000 2.409 367 A HA 0.480 4.800 4.320 -0.000 0.000 0.267 367 A C -0.720 176.828 177.584 -0.060 0.000 1.127 367 A CA -0.152 51.851 52.037 -0.056 0.000 0.795 367 A CB -0.140 18.833 19.000 -0.044 0.000 1.061 367 A HN 0.607 nan 8.150 nan 0.000 0.502 368 L N 3.480 124.662 121.223 -0.068 0.000 2.388 368 L HA 0.462 4.802 4.340 -0.000 0.000 0.264 368 L C -2.544 174.271 176.870 -0.092 0.000 0.998 368 L CA -2.287 52.507 54.840 -0.076 0.000 0.817 368 L CB 2.677 44.690 42.059 -0.078 0.000 1.338 368 L HN 0.396 nan 8.230 nan 0.000 0.414 369 P HA 0.300 nan 4.420 nan 0.000 0.276 369 P C -1.119 176.051 177.300 -0.216 0.000 1.235 369 P CA -0.350 62.657 63.100 -0.154 0.000 0.772 369 P CB 0.674 32.276 31.700 -0.164 0.000 0.871 370 R N 2.228 122.591 120.500 -0.227 0.000 2.740 370 R HA 0.462 4.802 4.340 -0.000 0.000 0.273 370 R C -0.655 175.502 176.300 -0.238 0.000 0.998 370 R CA -0.880 55.074 56.100 -0.244 0.000 0.900 370 R CB 0.898 31.136 30.300 -0.102 0.000 1.223 370 R HN 0.304 nan 8.270 nan 0.000 0.466 371 F N 2.129 122.076 119.950 -0.005 0.000 2.443 371 F HA 0.148 4.675 4.527 -0.000 0.000 0.353 371 F C 1.507 177.304 175.800 -0.004 0.000 1.101 371 F CA -0.295 57.703 58.000 -0.003 0.000 1.226 371 F CB 0.389 39.388 39.000 -0.000 0.000 1.140 371 F HN 0.447 nan 8.300 nan 0.000 0.557 372 N N 1.259 120.084 118.700 0.209 0.000 2.448 372 N HA 0.108 4.847 4.740 -0.000 0.000 0.274 372 N C 0.547 176.114 175.510 0.094 0.000 1.239 372 N CA -0.495 52.623 53.050 0.113 0.000 0.982 372 N CB 0.179 38.708 38.487 0.070 0.000 1.199 372 N HN 0.636 nan 8.380 nan 0.000 0.576 373 E N -0.300 119.932 120.200 0.054 0.000 2.130 373 E HA -0.176 4.173 4.350 -0.000 0.000 0.196 373 E C 0.917 177.526 176.600 0.014 0.000 0.998 373 E CA 1.287 57.705 56.400 0.030 0.000 0.806 373 E CB -0.101 29.613 29.700 0.023 0.000 0.738 373 E HN 0.566 nan 8.360 nan 0.000 0.459 374 K N -0.493 119.921 120.400 0.023 0.000 2.504 374 K HA 0.002 4.322 4.320 -0.000 0.000 0.195 374 K C 1.024 177.621 176.600 -0.005 0.000 1.036 374 K CA 0.493 56.786 56.287 0.011 0.000 0.984 374 K CB 0.178 32.691 32.500 0.021 0.000 0.788 374 K HN 0.224 nan 8.250 nan 0.000 0.488 375 G N 2.273 111.070 108.800 -0.005 0.000 2.221 375 G HA2 -0.283 3.676 3.960 -0.000 0.000 0.265 375 G HA3 -0.283 3.676 3.960 -0.000 0.000 0.265 375 G C -0.628 174.325 174.900 0.089 0.000 1.041 375 G CA 0.084 45.129 45.100 -0.091 0.000 0.807 375 G HN 0.414 nan 8.290 nan 0.000 0.502 376 E N -0.768 119.545 120.200 0.189 0.000 2.204 376 E HA 0.485 4.835 4.350 -0.000 0.000 0.276 376 E C 0.269 177.023 176.600 0.256 0.000 0.974 376 E CA -0.999 55.519 56.400 0.197 0.000 0.815 376 E CB 2.193 31.951 29.700 0.097 0.000 1.119 376 E HN 0.068 nan 8.360 nan 0.000 0.393 377 V N 3.524 123.544 119.914 0.176 0.000 2.415 377 V HA 0.029 4.149 4.120 -0.000 0.000 0.267 377 V C 0.423 176.507 176.094 -0.017 0.000 1.042 377 V CA -0.377 61.922 62.300 -0.002 0.000 1.000 377 V CB -0.686 31.097 31.823 -0.066 0.000 1.015 377 V HN 0.811 nan 8.190 nan 0.000 0.478 378 C N 4.145 123.422 119.300 -0.038 0.000 2.630 378 C HA 0.702 5.162 4.460 -0.000 0.000 0.346 378 C C -0.028 174.930 174.990 -0.054 0.000 1.245 378 C CA -1.446 57.556 59.018 -0.028 0.000 1.804 378 C CB 1.459 29.197 27.740 -0.003 0.000 2.279 378 C HN 0.840 nan 8.230 nan 0.000 0.498 379 K N 1.526 121.901 120.400 -0.041 0.000 2.285 379 K HA 0.583 4.902 4.320 -0.000 0.000 0.286 379 K C -0.333 176.241 176.600 -0.045 0.000 1.072 379 K CA 0.093 56.352 56.287 -0.045 0.000 0.913 379 K CB 0.546 33.025 32.500 -0.034 0.000 1.067 379 K HN 0.983 nan 8.250 nan 0.000 0.479 380 A N 4.578 127.365 122.820 -0.055 0.000 2.331 380 A HA 0.297 4.617 4.320 -0.000 0.000 0.320 380 A C -0.945 176.602 177.584 -0.062 0.000 1.138 380 A CA -0.864 51.141 52.037 -0.054 0.000 0.790 380 A CB 1.191 20.158 19.000 -0.055 0.000 1.206 380 A HN 0.683 nan 8.150 nan 0.000 0.470 381 Q N 2.442 122.204 119.800 -0.064 0.000 2.361 381 Q HA 0.283 4.623 4.340 -0.000 0.000 0.250 381 Q C -0.565 175.377 176.000 -0.097 0.000 1.023 381 Q CA 0.079 55.834 55.803 -0.081 0.000 0.915 381 Q CB 0.828 29.514 28.738 -0.086 0.000 1.238 381 Q HN 0.538 nan 8.270 nan 0.000 0.451 382 I N 2.910 123.420 120.570 -0.100 0.000 2.412 382 I HA 0.436 4.606 4.170 -0.000 0.000 0.296 382 I C 0.087 176.123 176.117 -0.135 0.000 0.987 382 I CA -0.621 60.616 61.300 -0.106 0.000 1.180 382 I CB 1.423 39.368 38.000 -0.092 0.000 1.340 382 I HN 0.516 nan 8.210 nan 0.000 0.455 383 M N 5.789 125.302 119.600 -0.144 0.000 2.464 383 M HA 0.434 4.914 4.480 -0.000 0.000 0.308 383 M C -1.200 174.983 176.300 -0.196 0.000 1.127 383 M CA -0.509 54.687 55.300 -0.172 0.000 0.913 383 M CB 2.147 34.645 32.600 -0.169 0.000 1.689 383 M HN 0.514 nan 8.290 nan 0.000 0.445 384 N N 1.701 120.229 118.700 -0.286 0.000 2.473 384 N HA 0.564 5.304 4.740 -0.000 0.000 0.291 384 N C -1.440 173.897 175.510 -0.289 0.000 1.083 384 N CA -0.596 52.220 53.050 -0.390 0.000 0.951 384 N CB 2.439 40.380 38.487 -0.909 0.000 1.164 384 N HN 0.351 nan 8.380 nan 0.000 0.480 385 V N 0.980 120.770 119.914 -0.206 0.000 2.604 385 V HA 0.594 4.713 4.120 -0.000 0.000 0.305 385 V C -1.080 174.819 176.094 -0.324 0.000 1.043 385 V CA -0.340 61.747 62.300 -0.354 0.000 0.888 385 V CB 1.770 33.345 31.823 -0.414 0.000 0.995 385 V HN 0.714 nan 8.190 nan 0.000 0.429 386 S N 6.154 121.587 115.700 -0.445 0.000 2.640 386 S HA 0.553 5.023 4.470 -0.000 0.000 0.320 386 S C -1.301 173.082 174.600 -0.363 0.000 1.097 386 S CA -0.404 57.643 58.200 -0.255 0.000 1.092 386 S CB 0.823 63.971 63.200 -0.087 0.000 0.988 386 S HN 0.718 nan 8.310 nan 0.000 0.470 387 W N 1.687 122.994 121.300 0.012 0.000 2.496 387 W HA 0.613 5.272 4.660 -0.000 0.000 0.327 387 W C 0.392 176.907 176.519 -0.006 0.000 1.086 387 W CA -0.533 56.820 57.345 0.013 0.000 1.222 387 W CB 1.191 30.722 29.460 0.117 0.000 1.304 387 W HN 0.378 nan 8.180 nan 0.000 0.547 388 S N 1.535 117.368 115.700 0.221 0.000 2.503 388 S HA 0.897 5.367 4.470 -0.000 0.000 0.301 388 S C -0.662 173.989 174.600 0.085 0.000 1.087 388 S CA -0.683 57.604 58.200 0.145 0.000 1.042 388 S CB 1.557 64.864 63.200 0.179 0.000 1.043 388 S HN 0.548 nan 8.310 nan 0.000 0.489 389 A N 1.558 124.416 122.820 0.064 0.000 2.594 389 A HA 0.602 4.922 4.320 -0.000 0.000 0.295 389 A C -1.575 175.992 177.584 -0.029 0.000 1.071 389 A CA -0.715 51.318 52.037 -0.008 0.000 0.685 389 A CB 1.192 20.203 19.000 0.019 0.000 1.285 389 A HN 0.632 nan 8.150 nan 0.000 0.405 390 D N 0.603 120.947 120.400 -0.094 0.000 2.374 390 D HA 0.093 4.733 4.640 -0.000 0.000 0.240 390 D C 0.512 176.813 176.300 0.001 0.000 1.229 390 D CA 0.201 54.154 54.000 -0.079 0.000 0.895 390 D CB 0.223 40.962 40.800 -0.103 0.000 1.046 390 D HN 0.555 nan 8.370 nan 0.000 0.498 391 H N 4.177 123.242 119.070 -0.009 0.000 2.563 391 H HA 0.084 4.640 4.556 -0.000 0.000 0.272 391 H C 1.338 176.634 175.328 -0.053 0.000 1.005 391 H CA 0.571 56.596 56.048 -0.037 0.000 1.171 391 H CB 0.410 30.163 29.762 -0.014 0.000 1.351 391 H HN 0.458 nan 8.280 nan 0.000 0.602 392 R N -0.154 120.408 120.500 0.102 0.000 2.081 392 R HA -0.084 4.256 4.340 -0.000 0.000 0.235 392 R C 1.899 178.220 176.300 0.034 0.000 1.131 392 R CA 1.987 58.116 56.100 0.049 0.000 0.960 392 R CB 0.071 30.380 30.300 0.015 0.000 0.856 392 R HN 0.416 nan 8.270 nan 0.000 0.436 393 I N -3.564 117.008 120.570 0.003 0.000 4.403 393 I HA 0.280 4.450 4.170 -0.000 0.000 0.331 393 I C 0.168 176.249 176.117 -0.060 0.000 1.327 393 I CA -0.190 61.094 61.300 -0.026 0.000 1.175 393 I CB 0.735 38.699 38.000 -0.059 0.000 1.165 393 I HN -0.168 nan 8.210 nan 0.000 0.413 394 I N 3.961 124.469 120.570 -0.104 0.000 2.330 394 I HA 0.265 4.435 4.170 -0.000 0.000 0.289 394 I C -0.695 175.168 176.117 -0.423 0.000 1.001 394 I CA -0.760 60.418 61.300 -0.204 0.000 1.193 394 I CB 0.975 38.856 38.000 -0.198 0.000 1.345 394 I HN 0.184 nan 8.210 nan 0.000 0.461 395 D N 4.543 124.729 120.400 -0.357 0.000 2.423 395 D HA 0.177 4.816 4.640 -0.000 0.000 0.255 395 D C 1.317 177.251 176.300 -0.610 0.000 1.174 395 D CA -0.627 53.071 54.000 -0.503 0.000 1.008 395 D CB 0.837 41.532 40.800 -0.175 0.000 1.101 395 D HN 0.523 nan 8.370 nan 0.000 0.516 396 G N -0.760 107.660 108.800 -0.633 0.000 2.432 396 G HA2 -0.116 3.843 3.960 -0.000 0.000 0.219 396 G HA3 -0.116 3.843 3.960 -0.000 0.000 0.219 396 G C 1.410 176.161 174.900 -0.249 0.000 1.135 396 G CA 1.046 45.853 45.100 -0.489 0.000 0.767 396 G HN 0.633 nan 8.290 nan 0.000 0.550 397 A N 0.427 123.124 122.820 -0.205 0.000 1.898 397 A HA 0.024 4.344 4.320 -0.000 0.000 0.216 397 A C 2.541 179.985 177.584 -0.233 0.000 1.181 397 A CA 2.348 54.290 52.037 -0.160 0.000 0.620 397 A CB -0.926 18.025 19.000 -0.082 0.000 0.819 397 A HN 0.279 nan 8.150 nan 0.000 0.442 398 T N -0.458 113.952 114.554 -0.241 0.000 2.652 398 T HA -0.181 4.169 4.350 -0.000 0.000 0.267 398 T C 1.904 176.310 174.700 -0.490 0.000 1.039 398 T CA 1.782 63.685 62.100 -0.329 0.000 1.153 398 T CB -0.788 67.961 68.868 -0.198 0.000 0.863 398 T HN 0.333 nan 8.240 nan 0.000 0.428 399 V N 0.785 120.463 119.914 -0.393 0.000 2.407 399 V HA -0.142 3.977 4.120 -0.000 0.000 0.248 399 V C 2.553 178.307 176.094 -0.566 0.000 1.055 399 V CA 2.530 64.589 62.300 -0.401 0.000 1.049 399 V CB -0.605 31.102 31.823 -0.193 0.000 0.662 399 V HN 0.534 nan 8.190 nan 0.000 0.455 400 S N -0.439 114.837 115.700 -0.708 0.000 2.371 400 S HA -0.137 4.333 4.470 -0.000 0.000 0.224 400 S C 2.128 176.499 174.600 -0.382 0.000 1.029 400 S CA 1.465 59.161 58.200 -0.840 0.000 0.978 400 S CB -0.359 62.460 63.200 -0.635 0.000 0.833 400 S HN 0.704 nan 8.310 nan 0.000 0.466 401 R N -0.529 119.740 120.500 -0.384 0.000 2.092 401 R HA -0.029 4.310 4.340 -0.000 0.000 0.231 401 R C 2.136 178.165 176.300 -0.452 0.000 1.119 401 R CA 1.534 57.442 56.100 -0.321 0.000 0.970 401 R CB -0.574 29.553 30.300 -0.290 0.000 0.864 401 R HN 0.574 nan 8.270 nan 0.000 0.440 402 F N 1.294 120.656 119.950 -0.979 0.000 2.102 402 F HA -0.211 4.316 4.527 -0.000 0.000 0.298 402 F C 2.561 178.202 175.800 -0.266 0.000 1.105 402 F CA 1.795 59.367 58.000 -0.714 0.000 1.239 402 F CB -0.599 37.921 39.000 -0.800 0.000 0.991 402 F HN -0.121 nan 8.300 nan 0.000 0.474 403 S N 0.496 115.917 115.700 -0.465 0.000 2.370 403 S HA -0.232 4.238 4.470 -0.000 0.000 0.226 403 S C 1.931 176.605 174.600 0.124 0.000 1.033 403 S CA 1.825 59.935 58.200 -0.150 0.000 1.011 403 S CB -0.628 62.736 63.200 0.272 0.000 0.852 403 S HN 0.545 nan 8.310 nan 0.000 0.457 404 N N 1.244 119.983 118.700 0.065 0.000 2.149 404 N HA -0.061 4.679 4.740 -0.000 0.000 0.188 404 N C 1.558 177.100 175.510 0.053 0.000 1.019 404 N CA 1.071 54.178 53.050 0.097 0.000 0.857 404 N CB -0.717 37.811 38.487 0.069 0.000 0.997 404 N HN 0.356 nan 8.380 nan 0.000 0.426 405 L N -0.390 120.837 121.223 0.007 0.000 2.005 405 L HA -0.049 4.291 4.340 -0.000 0.000 0.207 405 L C 2.105 178.990 176.870 0.025 0.000 1.072 405 L CA 1.477 56.308 54.840 -0.015 0.000 0.744 405 L CB -1.113 41.026 42.059 0.132 0.000 0.895 405 L HN 0.287 nan 8.230 nan 0.000 0.433 406 W N 1.199 122.407 121.300 -0.153 0.000 2.302 406 W HA -0.331 4.329 4.660 -0.000 0.000 0.320 406 W C 2.752 179.340 176.519 0.115 0.000 1.241 406 W CA 3.062 60.400 57.345 -0.012 0.000 1.264 406 W CB -0.322 28.961 29.460 -0.295 0.000 1.154 406 W HN 0.241 nan 8.180 nan 0.000 0.483 407 K N 0.278 120.775 120.400 0.161 0.000 2.097 407 K HA -0.202 4.118 4.320 -0.000 0.000 0.205 407 K C 2.277 178.838 176.600 -0.065 0.000 1.050 407 K CA 2.116 58.394 56.287 -0.014 0.000 0.938 407 K CB -0.617 32.002 32.500 0.199 0.000 0.718 407 K HN 0.269 nan 8.250 nan 0.000 0.442 408 S N -0.298 115.386 115.700 -0.026 0.000 2.382 408 S HA -0.173 4.297 4.470 -0.000 0.000 0.228 408 S C 1.895 176.460 174.600 -0.058 0.000 1.027 408 S CA 0.772 58.953 58.200 -0.031 0.000 0.991 408 S CB -0.657 62.561 63.200 0.030 0.000 0.823 408 S HN 0.382 nan 8.310 nan 0.000 0.469 409 Y N 1.668 121.980 120.300 0.020 0.000 2.352 409 Y HA 0.193 4.742 4.550 -0.000 0.000 0.292 409 Y C 2.157 177.998 175.900 -0.098 0.000 1.136 409 Y CA 0.460 58.566 58.100 0.010 0.000 1.227 409 Y CB -0.389 38.095 38.460 0.040 0.000 0.991 409 Y HN 0.268 nan 8.280 nan 0.000 0.545 410 L N -1.095 120.100 121.223 -0.047 0.000 2.253 410 L HA -0.036 4.303 4.340 -0.000 0.000 0.205 410 L C 2.057 178.849 176.870 -0.131 0.000 1.078 410 L CA 0.688 55.457 54.840 -0.118 0.000 0.805 410 L CB -0.245 41.628 42.059 -0.309 0.000 0.963 410 L HN 0.115 nan 8.230 nan 0.000 0.459 411 E N 0.533 120.639 120.200 -0.157 0.000 2.107 411 E HA -0.046 4.303 4.350 -0.000 0.000 0.191 411 E C 0.077 176.535 176.600 -0.237 0.000 0.982 411 E CA 0.652 56.954 56.400 -0.163 0.000 0.809 411 E CB 0.093 29.714 29.700 -0.131 0.000 0.756 411 E HN 0.500 nan 8.360 nan 0.000 0.459 412 N N 1.265 119.743 118.700 -0.371 0.000 2.804 412 N HA 0.138 4.878 4.740 -0.000 0.000 0.251 412 N C -2.421 172.841 175.510 -0.412 0.000 1.250 412 N CA -1.092 51.583 53.050 -0.624 0.000 0.820 412 N CB 1.488 39.023 38.487 -1.586 0.000 1.156 412 N HN -0.033 nan 8.380 nan 0.000 0.512 413 P HA -0.037 nan 4.420 nan 0.000 0.226 413 P C 1.360 178.708 177.300 0.080 0.000 1.153 413 P CA 0.547 63.652 63.100 0.008 0.000 0.777 413 P CB 0.372 32.076 31.700 0.007 0.000 0.794 414 A N -0.616 122.222 122.820 0.030 0.000 1.978 414 A HA -0.215 4.105 4.320 -0.000 0.000 0.220 414 A C 1.800 179.590 177.584 0.343 0.000 1.170 414 A CA 1.395 53.519 52.037 0.146 0.000 0.636 414 A CB -1.680 17.396 19.000 0.128 0.000 0.810 414 A HN 0.054 nan 8.150 nan 0.000 0.448 415 F N -0.341 119.696 119.950 0.144 0.000 2.171 415 F HA -0.135 4.392 4.527 -0.000 0.000 0.300 415 F C 2.435 178.421 175.800 0.311 0.000 1.090 415 F CA 0.798 58.918 58.000 0.201 0.000 1.293 415 F CB -1.127 37.964 39.000 0.151 0.000 1.013 415 F HN 0.189 nan 8.300 nan 0.000 0.486 416 M N -0.836 119.040 119.600 0.459 0.000 2.159 416 M HA -0.217 4.263 4.480 -0.000 0.000 0.263 416 M C 2.403 178.791 176.300 0.147 0.000 1.063 416 M CA 1.266 56.684 55.300 0.196 0.000 1.110 416 M CB -0.635 32.011 32.600 0.076 0.000 1.374 416 M HN 0.127 nan 8.290 nan 0.000 0.411 417 L N 0.422 121.742 121.223 0.161 0.000 2.081 417 L HA -0.257 4.083 4.340 -0.000 0.000 0.212 417 L C 2.386 179.320 176.870 0.107 0.000 1.080 417 L CA 1.298 56.208 54.840 0.117 0.000 0.754 417 L CB -0.352 41.776 42.059 0.115 0.000 0.893 417 L HN 0.395 nan 8.230 nan 0.000 0.433 418 L N -0.528 120.778 121.223 0.138 0.000 2.012 418 L HA -0.277 4.063 4.340 -0.000 0.000 0.210 418 L C 1.517 178.434 176.870 0.078 0.000 1.073 418 L CA 1.746 56.647 54.840 0.103 0.000 0.748 418 L CB -0.227 41.895 42.059 0.104 0.000 0.891 418 L HN 0.367 nan 8.230 nan 0.000 0.431 419 D N -0.867 119.586 120.400 0.089 0.000 2.398 419 D HA 0.205 4.845 4.640 -0.000 0.000 0.210 419 D C 0.549 176.874 176.300 0.042 0.000 1.094 419 D CA 0.030 54.068 54.000 0.064 0.000 0.839 419 D CB 0.535 41.385 40.800 0.083 0.000 0.963 419 D HN 0.222 nan 8.370 nan 0.000 0.506 420 L N 0.928 122.174 121.223 0.039 0.000 2.418 420 L HA 0.280 4.619 4.340 -0.000 0.000 0.265 420 L C 0.824 177.708 176.870 0.023 0.000 1.143 420 L CA -0.003 54.852 54.840 0.024 0.000 0.809 420 L CB 0.923 42.995 42.059 0.022 0.000 1.124 420 L HN -0.364 nan 8.230 nan 0.000 0.456 421 K N 0.000 120.409 120.400 0.015 0.000 2.780 421 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 421 K CA 0.000 56.294 56.287 0.012 0.000 0.838 421 K CB 0.000 32.505 32.500 0.008 0.000 1.064 421 K HN 0.000 nan 8.250 nan 0.000 0.543