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 2ywy_1_C DATA FIRST_RESID 1 DATA SEQUENCE AWVDQTPRSV TKETGESLTI NcALKNAADD LERTDWYRTT LGSTNEQKIS DATA SEQUENCE IGGRYVETVN KGSKSFSLRI RDLRVEDSGT YKcGAYFSDA MSNYSYPIPG DATA SEQUENCE EKGAGTVLTV KAA 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.747 177.584 0.272 0.000 1.274 1 A CA 0.000 52.107 52.037 0.116 0.000 0.836 1 A CB 0.000 18.909 19.000 -0.152 0.000 0.831 2 W N -0.038 121.251 121.300 -0.018 0.000 3.161 2 W HA 0.590 5.250 4.660 0.000 0.000 0.314 2 W C -2.408 174.109 176.519 -0.003 0.000 1.245 2 W CA -0.793 56.555 57.345 0.004 0.000 1.191 2 W CB 0.393 29.853 29.460 0.000 0.000 1.392 2 W HN 0.796 nan 8.180 nan 0.000 0.568 3 V N 2.509 122.394 119.914 -0.050 0.000 2.398 3 V HA 0.155 4.276 4.120 0.002 0.000 0.286 3 V C -0.369 175.580 176.094 -0.241 0.000 1.026 3 V CA -0.075 62.076 62.300 -0.249 0.000 0.868 3 V CB 1.283 33.063 31.823 -0.071 0.000 0.982 3 V HN 0.443 nan 8.190 nan 0.000 0.443 4 D N 4.264 124.366 120.400 -0.497 0.000 2.339 4 D HA 0.202 4.843 4.640 0.002 0.000 0.241 4 D C -0.208 176.043 176.300 -0.083 0.000 1.183 4 D CA 0.128 54.012 54.000 -0.193 0.000 0.859 4 D CB 0.968 41.603 40.800 -0.274 0.000 1.067 4 D HN 0.652 nan 8.370 nan 0.000 0.484 5 Q N 2.618 122.429 119.800 0.017 0.000 2.322 5 Q HA 0.499 4.841 4.340 0.002 0.000 0.265 5 Q C -1.074 174.949 176.000 0.037 0.000 0.985 5 Q CA -0.699 55.105 55.803 0.001 0.000 0.849 5 Q CB 1.149 29.898 28.738 0.018 0.000 1.274 5 Q HN 0.506 nan 8.270 nan 0.000 0.449 6 T N 1.388 115.955 114.554 0.022 0.000 2.893 6 T HA 0.708 5.059 4.350 0.002 0.000 0.291 6 T C -2.769 171.948 174.700 0.029 0.000 1.028 6 T CA -2.027 60.091 62.100 0.029 0.000 0.995 6 T CB 1.750 70.628 68.868 0.017 0.000 1.051 6 T HN 0.390 nan 8.240 nan 0.000 0.470 7 P HA 0.455 nan 4.420 nan 0.000 0.284 7 P C 0.655 177.985 177.300 0.050 0.000 1.258 7 P CA -0.832 62.287 63.100 0.032 0.000 0.824 7 P CB 1.180 32.892 31.700 0.020 0.000 1.038 8 R N 0.720 121.250 120.500 0.051 0.000 2.080 8 R HA -0.003 4.338 4.340 0.002 0.000 0.236 8 R C 1.009 177.346 176.300 0.062 0.000 1.137 8 R CA 1.513 57.649 56.100 0.060 0.000 0.943 8 R CB -1.142 29.189 30.300 0.053 0.000 0.846 8 R HN 0.735 nan 8.270 nan 0.000 0.431 9 S N -1.001 114.728 115.700 0.048 0.000 2.569 9 S HA 0.619 5.091 4.470 0.002 0.000 0.280 9 S C -0.803 173.817 174.600 0.034 0.000 1.111 9 S CA -0.836 57.393 58.200 0.048 0.000 0.887 9 S CB 2.697 65.923 63.200 0.045 0.000 1.095 9 S HN -0.006 nan 8.310 nan 0.000 0.476 10 V N 1.446 121.379 119.914 0.032 0.000 2.924 10 V HA 0.662 4.783 4.120 0.002 0.000 0.300 10 V C -1.294 174.810 176.094 0.016 0.000 1.227 10 V CA -0.130 62.180 62.300 0.017 0.000 0.954 10 V CB 2.176 34.001 31.823 0.003 0.000 1.055 10 V HN 1.181 nan 8.190 nan 0.000 0.429 11 T N 6.819 121.379 114.554 0.010 0.000 2.824 11 T HA 0.649 5.000 4.350 0.002 0.000 0.280 11 T C -0.798 173.901 174.700 -0.002 0.000 0.995 11 T CA -0.681 61.424 62.100 0.009 0.000 1.009 11 T CB 1.343 70.217 68.868 0.011 0.000 0.955 11 T HN 0.680 nan 8.240 nan 0.000 0.452 12 K N 2.054 122.451 120.400 -0.004 0.000 2.502 12 K HA 0.383 4.704 4.320 0.002 0.000 0.257 12 K C -0.725 175.869 176.600 -0.010 0.000 0.938 12 K CA -0.837 55.442 56.287 -0.013 0.000 0.819 12 K CB 2.966 35.450 32.500 -0.027 0.000 1.333 12 K HN 0.577 nan 8.250 nan 0.000 0.434 13 E N 0.825 121.017 120.200 -0.013 0.000 2.319 13 E HA 0.139 4.490 4.350 0.002 0.000 0.268 13 E C -0.602 175.990 176.600 -0.015 0.000 1.050 13 E CA -0.232 56.162 56.400 -0.010 0.000 0.878 13 E CB 0.938 30.632 29.700 -0.010 0.000 1.066 13 E HN 0.296 nan 8.360 nan 0.000 0.406 14 T N 1.614 116.162 114.554 -0.011 0.000 2.923 14 T HA 0.166 4.517 4.350 0.002 0.000 0.304 14 T C 1.153 175.840 174.700 -0.021 0.000 1.044 14 T CA 1.262 63.353 62.100 -0.013 0.000 1.141 14 T CB 0.228 69.091 68.868 -0.008 0.000 1.023 14 T HN 0.833 nan 8.240 nan 0.000 0.533 15 G N 2.751 111.534 108.800 -0.029 0.000 2.217 15 G HA2 -0.216 3.745 3.960 0.002 0.000 0.246 15 G HA3 -0.216 3.745 3.960 0.002 0.000 0.246 15 G C 0.148 175.024 174.900 -0.040 0.000 0.990 15 G CA 0.300 45.379 45.100 -0.034 0.000 0.627 15 G HN 0.681 nan 8.290 nan 0.000 0.522 16 E N 0.439 120.616 120.200 -0.040 0.000 2.855 16 E HA 0.607 4.958 4.350 0.002 0.000 0.259 16 E C 0.610 177.173 176.600 -0.062 0.000 1.390 16 E CA 0.357 56.730 56.400 -0.045 0.000 1.069 16 E CB 0.602 30.279 29.700 -0.038 0.000 1.172 16 E HN 0.575 nan 8.360 nan 0.000 0.668 17 S N -0.183 115.475 115.700 -0.069 0.000 2.569 17 S HA 0.516 4.987 4.470 0.002 0.000 0.280 17 S C -0.976 173.565 174.600 -0.099 0.000 1.111 17 S CA -0.971 57.173 58.200 -0.093 0.000 0.887 17 S CB 0.983 64.125 63.200 -0.097 0.000 1.095 17 S HN 0.365 nan 8.310 nan 0.000 0.476 18 L N 1.696 122.841 121.223 -0.131 0.000 2.317 18 L HA 0.603 4.944 4.340 0.002 0.000 0.281 18 L C -0.793 175.986 176.870 -0.151 0.000 1.024 18 L CA -0.319 54.438 54.840 -0.139 0.000 0.810 18 L CB 2.033 43.981 42.059 -0.186 0.000 1.240 18 L HN 0.873 nan 8.230 nan 0.000 0.427 19 T N 5.379 119.860 114.554 -0.121 0.000 2.770 19 T HA 0.515 4.866 4.350 0.002 0.000 0.283 19 T C -0.095 174.541 174.700 -0.107 0.000 0.988 19 T CA -0.252 61.773 62.100 -0.125 0.000 0.957 19 T CB 0.885 69.700 68.868 -0.087 0.000 0.930 19 T HN 0.309 nan 8.240 nan 0.000 0.443 20 I N 3.889 124.379 120.570 -0.133 0.000 2.336 20 I HA 0.351 4.523 4.170 0.002 0.000 0.292 20 I C -0.191 175.938 176.117 0.020 0.000 0.991 20 I CA -0.895 60.389 61.300 -0.026 0.000 1.227 20 I CB 1.040 39.087 38.000 0.077 0.000 1.366 20 I HN 0.541 nan 8.210 nan 0.000 0.466 21 N N 5.363 124.071 118.700 0.013 0.000 2.408 21 N HA 0.485 5.226 4.740 0.002 0.000 0.280 21 N C -1.247 174.202 175.510 -0.102 0.000 1.002 21 N CA -0.420 52.609 53.050 -0.034 0.000 0.907 21 N CB 1.518 39.979 38.487 -0.044 0.000 1.161 21 N HN 0.464 nan 8.380 nan 0.000 0.488 22 c N 1.514 119.925 118.600 -0.314 0.000 2.435 22 c HA 0.917 5.488 4.570 0.002 0.000 0.333 22 c C 0.088 173.929 174.090 -0.414 0.000 1.202 22 c CA -0.559 55.486 56.329 -0.474 0.000 1.830 22 c CB 0.575 42.538 42.510 -0.913 0.000 2.326 22 c HN 0.788 nan 8.230 nan 0.000 0.507 23 A N 2.117 124.793 122.820 -0.241 0.000 2.398 23 A HA 0.705 5.026 4.320 0.002 0.000 0.301 23 A C -1.170 176.294 177.584 -0.201 0.000 1.041 23 A CA -0.412 51.541 52.037 -0.140 0.000 0.711 23 A CB 0.876 19.788 19.000 -0.145 0.000 1.240 23 A HN 0.871 nan 8.150 nan 0.000 0.420 24 L N 2.776 123.940 121.223 -0.098 0.000 2.278 24 L HA 0.471 4.813 4.340 0.002 0.000 0.287 24 L C -0.232 176.427 176.870 -0.351 0.000 1.072 24 L CA 0.398 55.108 54.840 -0.216 0.000 0.819 24 L CB 0.174 42.162 42.059 -0.117 0.000 1.176 24 L HN 0.597 nan 8.230 nan 0.000 0.435 25 K N 4.603 124.646 120.400 -0.594 0.000 2.259 25 K HA 0.297 4.618 4.320 0.002 0.000 0.249 25 K C -0.151 176.238 176.600 -0.352 0.000 0.942 25 K CA -0.824 55.153 56.287 -0.517 0.000 0.816 25 K CB 1.552 33.641 32.500 -0.685 0.000 1.155 25 K HN 0.712 nan 8.250 nan 0.000 0.428 26 N N 0.362 118.976 118.700 -0.143 0.000 2.758 26 N HA -0.216 4.525 4.740 0.002 0.000 0.248 26 N C -1.386 174.044 175.510 -0.133 0.000 1.076 26 N CA 0.222 53.248 53.050 -0.040 0.000 0.696 26 N CB -0.397 38.174 38.487 0.140 0.000 0.979 26 N HN 0.717 nan 8.380 nan 0.000 0.550 27 A N -0.102 122.568 122.820 -0.249 0.000 2.288 27 A HA 0.758 5.079 4.320 0.002 0.000 0.320 27 A C 1.006 178.446 177.584 -0.241 0.000 1.217 27 A CA 0.243 52.039 52.037 -0.402 0.000 0.840 27 A CB 1.365 19.941 19.000 -0.706 0.000 1.179 27 A HN 0.451 nan 8.150 nan 0.000 0.504 28 A N 1.980 124.700 122.820 -0.166 0.000 1.968 28 A HA 0.089 4.410 4.320 0.002 0.000 0.217 28 A C 0.713 178.265 177.584 -0.053 0.000 1.169 28 A CA 1.050 53.044 52.037 -0.072 0.000 0.638 28 A CB -0.158 18.831 19.000 -0.017 0.000 0.812 28 A HN 0.751 nan 8.150 nan 0.000 0.446 29 D N 0.251 120.613 120.400 -0.063 0.000 2.387 29 D HA 0.338 4.979 4.640 0.002 0.000 0.255 29 D C -1.023 175.291 176.300 0.024 0.000 1.081 29 D CA -0.445 53.583 54.000 0.047 0.000 0.994 29 D CB 0.563 41.503 40.800 0.233 0.000 1.127 29 D HN 0.089 nan 8.370 nan 0.000 0.513 30 D N 0.680 121.131 120.400 0.084 0.000 2.345 30 D HA 0.133 4.774 4.640 0.002 0.000 0.247 30 D C 0.237 176.602 176.300 0.108 0.000 1.108 30 D CA -0.270 53.769 54.000 0.065 0.000 0.894 30 D CB 0.962 41.802 40.800 0.067 0.000 1.203 30 D HN 0.137 nan 8.370 nan 0.000 0.430 31 L N 2.035 123.286 121.223 0.046 0.000 2.462 31 L HA -0.048 4.293 4.340 0.002 0.000 0.272 31 L C 0.970 177.866 176.870 0.043 0.000 1.166 31 L CA 0.508 55.367 54.840 0.030 0.000 0.880 31 L CB 0.720 42.748 42.059 -0.052 0.000 1.142 31 L HN 0.474 nan 8.230 nan 0.000 0.473 32 E N 3.853 124.097 120.200 0.072 0.000 2.444 32 E HA 0.222 4.573 4.350 0.002 0.000 0.209 32 E C -0.207 176.432 176.600 0.064 0.000 0.806 32 E CA 0.095 56.551 56.400 0.094 0.000 1.240 32 E CB 0.683 30.497 29.700 0.190 0.000 1.238 32 E HN 0.544 nan 8.360 nan 0.000 0.591 33 R N -0.212 120.322 120.500 0.055 0.000 2.604 33 R HA 0.455 4.796 4.340 0.002 0.000 0.270 33 R C -1.598 174.690 176.300 -0.020 0.000 1.052 33 R CA -0.205 55.930 56.100 0.058 0.000 0.902 33 R CB 1.747 32.135 30.300 0.147 0.000 1.233 33 R HN 0.128 nan 8.270 nan 0.000 0.455 34 T N -0.549 113.961 114.554 -0.073 0.000 2.881 34 T HA 0.552 4.904 4.350 0.002 0.000 0.290 34 T C -0.976 173.703 174.700 -0.036 0.000 1.000 34 T CA -0.965 61.008 62.100 -0.212 0.000 0.978 34 T CB 2.079 70.686 68.868 -0.434 0.000 0.997 34 T HN 0.305 nan 8.240 nan 0.000 0.443 35 D N 1.212 121.540 120.400 -0.121 0.000 2.601 35 D HA 0.519 5.160 4.640 0.002 0.000 0.230 35 D C -1.318 174.641 176.300 -0.569 0.000 1.106 35 D CA -0.259 53.610 54.000 -0.218 0.000 0.873 35 D CB 1.796 42.479 40.800 -0.195 0.000 1.515 35 D HN 0.623 nan 8.370 nan 0.000 0.468 36 W N 0.923 121.976 121.300 -0.413 0.000 2.785 36 W HA 0.479 5.140 4.660 0.002 0.000 0.333 36 W C -0.816 175.426 176.519 -0.463 0.000 1.062 36 W CA -0.658 56.524 57.345 -0.272 0.000 1.233 36 W CB 1.045 30.460 29.460 -0.074 0.000 1.413 36 W HN 0.194 nan 8.180 nan 0.000 0.489 37 Y N 1.292 121.744 120.300 0.254 0.000 2.570 37 Y HA 0.730 5.281 4.550 0.002 0.000 0.345 37 Y C 0.027 175.951 175.900 0.041 0.000 1.014 37 Y CA -1.703 56.462 58.100 0.109 0.000 1.063 37 Y CB 2.322 40.819 38.460 0.061 0.000 1.272 37 Y HN 0.303 nan 8.280 nan 0.000 0.477 38 R N 0.340 120.879 120.500 0.064 0.000 2.584 38 R HA 0.506 4.848 4.340 0.002 0.000 0.276 38 R C -1.828 174.374 176.300 -0.164 0.000 1.046 38 R CA -0.475 55.468 56.100 -0.262 0.000 0.906 38 R CB 2.144 32.197 30.300 -0.412 0.000 1.215 38 R HN 0.769 nan 8.270 nan 0.000 0.449 39 T N 2.601 117.027 114.554 -0.213 0.000 2.934 39 T HA 0.235 4.586 4.350 0.002 0.000 0.328 39 T C -0.541 174.099 174.700 -0.101 0.000 1.068 39 T CA -0.181 61.856 62.100 -0.105 0.000 1.018 39 T CB 0.686 69.524 68.868 -0.049 0.000 1.009 39 T HN 0.577 nan 8.240 nan 0.000 0.471 40 T N 5.770 120.284 114.554 -0.066 0.000 2.891 40 T HA 0.066 4.417 4.350 0.002 0.000 0.296 40 T C 0.771 175.473 174.700 0.002 0.000 1.025 40 T CA 0.032 62.122 62.100 -0.018 0.000 1.149 40 T CB 0.003 68.875 68.868 0.006 0.000 1.007 40 T HN 0.547 nan 8.240 nan 0.000 0.528 41 L N 3.544 124.781 121.223 0.022 0.000 2.601 41 L HA 0.128 4.469 4.340 0.002 0.000 0.277 41 L C 1.637 178.520 176.870 0.021 0.000 1.219 41 L CA 1.251 56.106 54.840 0.026 0.000 0.915 41 L CB -0.235 41.846 42.059 0.037 0.000 1.160 41 L HN 1.131 nan 8.230 nan 0.000 0.494 42 G N 2.664 111.474 108.800 0.016 0.000 2.358 42 G HA2 -0.273 3.689 3.960 0.002 0.000 0.224 42 G HA3 -0.273 3.689 3.960 0.002 0.000 0.224 42 G C 0.496 175.402 174.900 0.010 0.000 1.073 42 G CA 0.182 45.290 45.100 0.014 0.000 0.635 42 G HN 0.578 nan 8.290 nan 0.000 0.509 43 S N 0.199 115.904 115.700 0.008 0.000 2.580 43 S HA 0.532 5.003 4.470 0.002 0.000 0.274 43 S C 1.426 176.027 174.600 0.001 0.000 1.329 43 S CA 1.016 59.218 58.200 0.005 0.000 1.036 43 S CB 1.480 64.682 63.200 0.004 0.000 0.919 43 S HN 0.800 nan 8.310 nan 0.000 0.515 44 T N 2.769 117.323 114.554 0.001 0.000 3.037 44 T HA 0.174 4.526 4.350 0.002 0.000 0.252 44 T C 0.245 174.942 174.700 -0.005 0.000 1.073 44 T CA 0.223 62.322 62.100 -0.001 0.000 1.091 44 T CB -0.165 68.703 68.868 -0.000 0.000 0.935 44 T HN 0.437 nan 8.240 nan 0.000 0.488 45 N N 2.900 121.597 118.700 -0.004 0.000 2.419 45 N HA 0.262 5.003 4.740 0.002 0.000 0.277 45 N C -0.852 174.655 175.510 -0.004 0.000 1.006 45 N CA -0.295 52.753 53.050 -0.005 0.000 0.923 45 N CB 1.700 40.188 38.487 0.001 0.000 1.140 45 N HN 0.519 nan 8.380 nan 0.000 0.488 46 E N 1.322 121.517 120.200 -0.008 0.000 2.344 46 E HA 0.010 4.361 4.350 0.002 0.000 0.270 46 E C -0.736 175.891 176.600 0.045 0.000 1.021 46 E CA -0.092 56.310 56.400 0.003 0.000 0.887 46 E CB 0.823 30.508 29.700 -0.025 0.000 0.997 46 E HN 0.398 nan 8.360 nan 0.000 0.429 47 Q N 3.781 123.624 119.800 0.073 0.000 2.337 47 Q HA 0.221 4.562 4.340 0.002 0.000 0.266 47 Q C -1.147 174.944 176.000 0.151 0.000 1.023 47 Q CA -0.844 55.011 55.803 0.086 0.000 0.829 47 Q CB 1.432 30.191 28.738 0.035 0.000 1.306 47 Q HN 0.348 nan 8.270 nan 0.000 0.449 48 K N 4.745 125.235 120.400 0.151 0.000 2.312 48 K HA 0.237 4.559 4.320 0.002 0.000 0.287 48 K C -0.528 176.054 176.600 -0.031 0.000 1.062 48 K CA -0.299 56.048 56.287 0.100 0.000 0.934 48 K CB 0.415 32.973 32.500 0.097 0.000 1.027 48 K HN 0.637 nan 8.250 nan 0.000 0.478 49 I N 2.966 123.474 120.570 -0.104 0.000 2.618 49 I HA -0.085 4.086 4.170 0.002 0.000 0.284 49 I C 0.552 176.543 176.117 -0.211 0.000 1.146 49 I CA 0.333 61.485 61.300 -0.247 0.000 1.425 49 I CB 1.106 38.906 38.000 -0.332 0.000 1.383 49 I HN 0.517 nan 8.210 nan 0.000 0.562 50 S N 8.178 123.742 115.700 -0.226 0.000 2.601 50 S HA 0.408 4.879 4.470 0.002 0.000 0.312 50 S C -0.219 174.342 174.600 -0.065 0.000 1.107 50 S CA -0.917 57.227 58.200 -0.094 0.000 1.129 50 S CB 0.097 63.276 63.200 -0.036 0.000 0.982 50 S HN 0.344 nan 8.310 nan 0.000 0.469 51 I N 3.843 124.394 120.570 -0.032 0.000 2.754 51 I HA 0.508 4.679 4.170 0.002 0.000 0.285 51 I C 1.272 177.427 176.117 0.064 0.000 1.166 51 I CA 0.896 62.210 61.300 0.023 0.000 1.417 51 I CB -0.171 37.848 38.000 0.031 0.000 1.382 51 I HN 0.970 nan 8.210 nan 0.000 0.588 52 G N 2.678 111.537 108.800 0.097 0.000 2.334 52 G HA2 0.472 4.433 3.960 0.002 0.000 0.566 52 G HA3 0.472 4.433 3.960 0.002 0.000 0.566 52 G C -0.029 174.931 174.900 0.099 0.000 1.413 52 G CA -0.045 45.102 45.100 0.078 0.000 0.993 52 G HN 1.298 nan 8.290 nan 0.000 0.642 53 G N 0.863 109.692 108.800 0.049 0.000 2.602 53 G HA2 -0.152 3.810 3.960 0.002 0.000 0.310 53 G HA3 -0.152 3.810 3.960 0.002 0.000 0.310 53 G C 1.350 176.231 174.900 -0.031 0.000 1.183 53 G CA 2.172 47.283 45.100 0.018 0.000 0.979 53 G HN 2.334 nan 8.290 nan 0.000 0.545 54 R N 0.113 120.550 120.500 -0.105 0.000 2.323 54 R HA 0.366 4.707 4.340 0.002 0.000 0.198 54 R C 0.335 176.411 176.300 -0.374 0.000 0.988 54 R CA 0.930 56.873 56.100 -0.263 0.000 1.041 54 R CB -0.263 29.828 30.300 -0.348 0.000 0.926 54 R HN 0.490 nan 8.270 nan 0.000 0.476 55 Y N 0.545 120.809 120.300 -0.061 0.000 2.334 55 Y HA 0.424 4.975 4.550 0.002 0.000 0.336 55 Y C -0.349 175.487 175.900 -0.107 0.000 0.960 55 Y CA -1.453 56.585 58.100 -0.104 0.000 1.164 55 Y CB 1.971 40.373 38.460 -0.098 0.000 1.155 55 Y HN -0.144 nan 8.280 nan 0.000 0.478 56 V N 3.823 123.737 119.914 0.000 0.000 2.495 56 V HA 0.539 4.660 4.120 0.002 0.000 0.298 56 V C -0.772 175.284 176.094 -0.063 0.000 1.031 56 V CA -0.397 61.890 62.300 -0.022 0.000 0.871 56 V CB 1.704 33.511 31.823 -0.027 0.000 0.988 56 V HN 0.868 nan 8.190 nan 0.000 0.432 57 E N 3.638 123.824 120.200 -0.023 0.000 2.195 57 E HA 0.653 5.004 4.350 0.002 0.000 0.271 57 E C -1.178 175.460 176.600 0.064 0.000 0.923 57 E CA -0.593 55.808 56.400 0.002 0.000 0.790 57 E CB 2.030 31.778 29.700 0.080 0.000 1.155 57 E HN 0.841 nan 8.360 nan 0.000 0.402 58 T N 2.542 117.161 114.554 0.109 0.000 2.890 58 T HA 0.368 4.719 4.350 0.002 0.000 0.295 58 T C -0.817 173.999 174.700 0.193 0.000 0.993 58 T CA -0.586 61.582 62.100 0.113 0.000 0.979 58 T CB 1.221 70.129 68.868 0.065 0.000 0.967 58 T HN 0.188 nan 8.240 nan 0.000 0.441 59 V N 3.499 123.512 119.914 0.165 0.000 2.555 59 V HA 0.560 4.681 4.120 0.002 0.000 0.302 59 V C -0.088 176.079 176.094 0.121 0.000 1.038 59 V CA -0.958 61.454 62.300 0.188 0.000 0.887 59 V CB 1.911 33.811 31.823 0.128 0.000 0.991 59 V HN 0.815 nan 8.190 nan 0.000 0.434 60 N N 3.222 122.001 118.700 0.132 0.000 2.776 60 N HA 0.292 5.033 4.740 0.002 0.000 0.245 60 N C 0.806 176.353 175.510 0.062 0.000 1.121 60 N CA -0.336 52.762 53.050 0.081 0.000 0.852 60 N CB 1.229 39.759 38.487 0.073 0.000 1.142 60 N HN 0.609 nan 8.380 nan 0.000 0.514 61 K N 0.959 121.380 120.400 0.035 0.000 2.063 61 K HA -0.116 4.205 4.320 0.002 0.000 0.208 61 K C 1.791 178.398 176.600 0.012 0.000 1.048 61 K CA 1.583 57.878 56.287 0.013 0.000 0.928 61 K CB -0.036 32.469 32.500 0.008 0.000 0.713 61 K HN 0.499 nan 8.250 nan 0.000 0.442 62 G N 1.314 110.123 108.800 0.016 0.000 2.529 62 G HA2 -0.318 3.643 3.960 0.002 0.000 0.219 62 G HA3 -0.318 3.643 3.960 0.002 0.000 0.219 62 G C 1.436 176.339 174.900 0.005 0.000 1.177 62 G CA 1.532 46.637 45.100 0.010 0.000 0.773 62 G HN 0.459 nan 8.290 nan 0.000 0.573 63 S N -0.740 114.968 115.700 0.014 0.000 2.634 63 S HA 0.268 4.739 4.470 0.002 0.000 0.221 63 S C 0.888 175.494 174.600 0.009 0.000 0.952 63 S CA 0.618 58.822 58.200 0.008 0.000 0.930 63 S CB 0.004 63.212 63.200 0.013 0.000 0.780 63 S HN 0.465 nan 8.310 nan 0.000 0.498 64 K N 1.075 121.484 120.400 0.015 0.000 3.016 64 K HA -0.170 4.151 4.320 0.002 0.000 0.262 64 K C -0.073 176.597 176.600 0.117 0.000 1.043 64 K CA 0.857 57.156 56.287 0.020 0.000 0.761 64 K CB -2.234 30.238 32.500 -0.047 0.000 1.230 64 K HN 0.764 nan 8.250 nan 0.000 0.485 65 S N 0.218 116.023 115.700 0.176 0.000 2.566 65 S HA 0.879 5.351 4.470 0.002 0.000 0.298 65 S C -0.422 174.445 174.600 0.444 0.000 1.083 65 S CA -0.840 57.517 58.200 0.262 0.000 0.978 65 S CB 1.870 65.123 63.200 0.088 0.000 1.073 65 S HN 0.453 nan 8.310 nan 0.000 0.491 66 F N -0.974 119.016 119.950 0.067 0.000 2.719 66 F HA 0.815 5.343 4.527 0.001 0.000 0.309 66 F C -0.861 175.089 175.800 0.250 0.000 1.138 66 F CA -0.741 57.347 58.000 0.146 0.000 0.943 66 F CB 1.097 40.199 39.000 0.171 0.000 1.304 66 F HN 0.875 nan 8.300 nan 0.000 0.445 67 S N 1.651 117.503 115.700 0.253 0.000 2.588 67 S HA 0.821 5.292 4.470 0.002 0.000 0.275 67 S C -2.113 172.432 174.600 -0.090 0.000 1.130 67 S CA -0.774 57.487 58.200 0.101 0.000 0.855 67 S CB 2.068 65.269 63.200 0.002 0.000 1.116 67 S HN 1.262 nan 8.310 nan 0.000 0.472 68 L N 1.709 122.599 121.223 -0.554 0.000 2.333 68 L HA 0.707 5.048 4.340 0.002 0.000 0.280 68 L C -0.317 176.295 176.870 -0.430 0.000 1.004 68 L CA -0.527 53.820 54.840 -0.821 0.000 0.820 68 L CB 1.689 42.647 42.059 -1.835 0.000 1.247 68 L HN 0.947 nan 8.230 nan 0.000 0.416 69 R N 5.344 125.682 120.500 -0.271 0.000 2.338 69 R HA 0.694 5.036 4.340 0.002 0.000 0.317 69 R C -1.449 174.748 176.300 -0.171 0.000 0.968 69 R CA -0.532 55.456 56.100 -0.188 0.000 0.849 69 R CB 0.881 31.105 30.300 -0.127 0.000 1.128 69 R HN 0.771 nan 8.270 nan 0.000 0.448 70 I N 4.108 124.564 120.570 -0.190 0.000 2.355 70 I HA 0.406 4.577 4.170 0.002 0.000 0.288 70 I C 0.102 176.085 176.117 -0.223 0.000 0.999 70 I CA -0.837 60.318 61.300 -0.240 0.000 1.163 70 I CB 1.740 39.598 38.000 -0.236 0.000 1.316 70 I HN 0.471 nan 8.210 nan 0.000 0.454 71 R N 3.326 123.682 120.500 -0.239 0.000 2.532 71 R HA 0.255 4.597 4.340 0.002 0.000 0.272 71 R C -0.107 176.094 176.300 -0.166 0.000 1.032 71 R CA -0.113 55.883 56.100 -0.172 0.000 1.089 71 R CB 0.476 30.689 30.300 -0.145 0.000 1.098 71 R HN 0.634 nan 8.270 nan 0.000 0.526 72 D N 1.758 122.090 120.400 -0.114 0.000 2.737 72 D HA -0.190 4.452 4.640 0.002 0.000 0.238 72 D C -1.146 175.103 176.300 -0.085 0.000 1.157 72 D CA 0.565 54.512 54.000 -0.089 0.000 0.694 72 D CB -0.644 40.106 40.800 -0.082 0.000 1.021 72 D HN 0.381 nan 8.370 nan 0.000 0.420 73 L N 1.067 122.243 121.223 -0.078 0.000 2.513 73 L HA 0.174 4.515 4.340 0.002 0.000 0.272 73 L C 1.373 178.224 176.870 -0.031 0.000 1.187 73 L CA 0.272 55.077 54.840 -0.058 0.000 0.895 73 L CB 0.338 42.364 42.059 -0.054 0.000 1.147 73 L HN 0.081 nan 8.230 nan 0.000 0.483 74 R N 2.047 122.539 120.500 -0.013 0.000 2.782 74 R HA 0.354 4.696 4.340 0.002 0.000 0.258 74 R C 0.846 177.158 176.300 0.020 0.000 1.055 74 R CA -0.908 55.193 56.100 0.001 0.000 1.065 74 R CB 0.688 30.990 30.300 0.004 0.000 1.172 74 R HN 0.250 nan 8.270 nan 0.000 0.510 75 V N 1.433 121.360 119.914 0.021 0.000 2.490 75 V HA -0.255 3.867 4.120 0.002 0.000 0.250 75 V C 1.992 178.113 176.094 0.045 0.000 1.061 75 V CA 2.281 64.599 62.300 0.031 0.000 1.064 75 V CB -0.910 30.927 31.823 0.024 0.000 0.670 75 V HN 0.895 nan 8.190 nan 0.000 0.461 76 E N 0.130 120.356 120.200 0.043 0.000 2.267 76 E HA -0.265 4.086 4.350 0.002 0.000 0.197 76 E C 1.146 177.795 176.600 0.081 0.000 0.998 76 E CA 1.561 57.993 56.400 0.053 0.000 0.830 76 E CB -0.359 29.368 29.700 0.045 0.000 0.751 76 E HN 0.546 nan 8.360 nan 0.000 0.491 77 D N 1.019 121.480 120.400 0.100 0.000 2.349 77 D HA 0.050 4.691 4.640 0.002 0.000 0.224 77 D C -0.000 176.439 176.300 0.231 0.000 1.029 77 D CA 0.247 54.353 54.000 0.176 0.000 0.879 77 D CB 0.175 41.069 40.800 0.158 0.000 0.906 77 D HN 0.006 nan 8.370 nan 0.000 0.528 78 S N 0.093 115.884 115.700 0.152 0.000 2.549 78 S HA 0.452 4.923 4.470 0.002 0.000 0.286 78 S C 0.777 175.472 174.600 0.159 0.000 1.314 78 S CA 0.275 58.569 58.200 0.157 0.000 1.062 78 S CB 1.218 64.475 63.200 0.094 0.000 0.865 78 S HN 0.449 nan 8.310 nan 0.000 0.498 79 G N 1.823 110.740 108.800 0.194 0.000 2.345 79 G HA2 0.316 4.277 3.960 0.002 0.000 0.285 79 G HA3 0.316 4.277 3.960 0.002 0.000 0.285 79 G C -1.359 173.629 174.900 0.146 0.000 1.297 79 G CA -0.807 44.352 45.100 0.097 0.000 0.875 79 G HN 0.593 nan 8.290 nan 0.000 0.506 80 T N 0.833 115.403 114.554 0.027 0.000 2.771 80 T HA 0.637 4.988 4.350 0.002 0.000 0.281 80 T C -1.214 173.477 174.700 -0.014 0.000 0.982 80 T CA 0.096 62.255 62.100 0.100 0.000 0.978 80 T CB 0.812 69.722 68.868 0.070 0.000 0.930 80 T HN 0.360 nan 8.240 nan 0.000 0.447 81 Y N 1.897 122.280 120.300 0.139 0.000 2.360 81 Y HA 0.601 5.153 4.550 0.002 0.000 0.337 81 Y C 0.562 176.589 175.900 0.212 0.000 1.039 81 Y CA -0.911 57.309 58.100 0.199 0.000 1.109 81 Y CB 1.621 40.215 38.460 0.224 0.000 1.201 81 Y HN 0.369 nan 8.280 nan 0.000 0.458 82 K N 2.332 122.949 120.400 0.361 0.000 2.469 82 K HA 0.677 4.998 4.320 0.002 0.000 0.254 82 K C -1.398 175.320 176.600 0.196 0.000 0.939 82 K CA -0.736 55.701 56.287 0.250 0.000 0.812 82 K CB 1.795 34.410 32.500 0.192 0.000 1.301 82 K HN 0.809 nan 8.250 nan 0.000 0.433 83 c N -0.641 117.911 118.600 -0.079 0.000 2.470 83 c HA 0.978 5.550 4.570 0.002 0.000 0.341 83 c C 0.286 174.295 174.090 -0.134 0.000 1.190 83 c CA -0.746 55.303 56.329 -0.467 0.000 1.904 83 c CB 0.756 42.581 42.510 -1.142 0.000 2.354 83 c HN 0.841 nan 8.230 nan 0.000 0.509 84 G N 0.668 109.394 108.800 -0.123 0.000 2.666 84 G HA2 0.759 4.721 3.960 0.002 0.000 0.303 84 G HA3 0.759 4.721 3.960 0.002 0.000 0.303 84 G C -0.805 173.864 174.900 -0.384 0.000 1.412 84 G CA -0.179 44.834 45.100 -0.147 0.000 0.979 84 G HN 1.587 nan 8.290 nan 0.000 0.507 85 A N 2.208 124.731 122.820 -0.494 0.000 2.271 85 A HA 0.791 5.112 4.320 0.002 0.000 0.317 85 A C -1.281 175.949 177.584 -0.590 0.000 1.245 85 A CA -0.580 51.194 52.037 -0.438 0.000 0.857 85 A CB 0.604 19.505 19.000 -0.165 0.000 1.175 85 A HN 0.641 nan 8.150 nan 0.000 0.512 86 Y N 1.370 121.656 120.300 -0.023 0.000 2.409 86 Y HA 0.650 5.201 4.550 0.003 0.000 0.339 86 Y C -0.264 175.628 175.900 -0.014 0.000 1.033 86 Y CA -0.746 57.285 58.100 -0.116 0.000 1.094 86 Y CB 1.608 39.992 38.460 -0.126 0.000 1.210 86 Y HN 0.665 nan 8.280 nan 0.000 0.456 87 F N -0.514 119.484 119.950 0.079 0.000 2.578 87 F HA 0.824 5.354 4.527 0.004 0.000 0.311 87 F C -0.527 175.294 175.800 0.036 0.000 1.094 87 F CA -1.114 56.909 58.000 0.038 0.000 0.923 87 F CB 1.716 40.711 39.000 -0.008 0.000 1.230 87 F HN 0.336 nan 8.300 nan 0.000 0.450 88 S N 0.875 116.691 115.700 0.194 0.000 2.632 88 S HA 0.477 4.949 4.470 0.002 0.000 0.289 88 S C -0.109 174.563 174.600 0.121 0.000 1.115 88 S CA -0.549 57.693 58.200 0.071 0.000 0.889 88 S CB 1.320 64.479 63.200 -0.068 0.000 1.116 88 S HN 0.697 nan 8.310 nan 0.000 0.486 89 D N 1.959 122.397 120.400 0.062 0.000 2.003 89 D HA 0.267 4.909 4.640 0.002 0.000 0.251 89 D C 1.296 177.650 176.300 0.091 0.000 1.063 89 D CA 1.856 55.898 54.000 0.071 0.000 0.968 89 D CB -0.308 40.515 40.800 0.039 0.000 1.349 89 D HN 0.709 nan 8.370 nan 0.000 0.514 90 A N -1.766 121.109 122.820 0.092 0.000 2.942 90 A HA 0.091 4.412 4.320 0.002 0.000 0.188 90 A C 0.209 177.867 177.584 0.122 0.000 1.448 90 A CA -0.071 52.040 52.037 0.123 0.000 1.639 90 A CB -0.418 18.633 19.000 0.084 0.000 1.513 90 A HN 0.215 nan 8.150 nan 0.000 0.640 91 M N 2.913 122.560 119.600 0.078 0.000 2.227 91 M HA 0.474 4.955 4.480 0.002 0.000 0.349 91 M C -0.761 175.568 176.300 0.048 0.000 1.443 91 M CA 1.036 56.375 55.300 0.066 0.000 1.110 91 M CB -0.114 32.513 32.600 0.046 0.000 1.773 91 M HN 0.989 nan 8.290 nan 0.000 0.463 92 S N 2.934 118.660 115.700 0.043 0.000 2.799 92 S HA 0.095 4.566 4.470 0.002 0.000 0.303 92 S C -1.155 173.424 174.600 -0.034 0.000 0.835 92 S CA -1.126 57.061 58.200 -0.022 0.000 0.783 92 S CB -0.029 63.114 63.200 -0.095 0.000 0.985 92 S HN 0.870 nan 8.310 nan 0.000 0.507 93 N N 0.626 119.320 118.700 -0.009 0.000 2.452 93 N HA 0.279 5.020 4.740 0.002 0.000 0.266 93 N C -0.338 175.127 175.510 -0.075 0.000 1.209 93 N CA -0.075 52.985 53.050 0.017 0.000 0.929 93 N CB 0.195 38.738 38.487 0.093 0.000 1.063 93 N HN 0.638 nan 8.380 nan 0.000 0.472 94 Y N 1.091 121.368 120.300 -0.038 0.000 2.532 94 Y HA 0.138 4.689 4.550 0.002 0.000 0.283 94 Y C 1.329 177.168 175.900 -0.101 0.000 1.181 94 Y CA -0.028 58.040 58.100 -0.053 0.000 1.256 94 Y CB 0.466 38.900 38.460 -0.043 0.000 1.112 94 Y HN 0.582 nan 8.280 nan 0.000 0.521 95 S N -1.594 114.055 115.700 -0.085 0.000 2.483 95 S HA 0.068 4.539 4.470 0.002 0.000 0.221 95 S C -0.448 173.956 174.600 -0.327 0.000 1.030 95 S CA 0.075 58.127 58.200 -0.248 0.000 0.925 95 S CB 0.022 62.979 63.200 -0.406 0.000 0.795 95 S HN 0.131 nan 8.310 nan 0.000 0.511 96 Y N 3.090 123.364 120.300 -0.044 0.000 2.320 96 Y HA 0.430 4.981 4.550 0.002 0.000 0.334 96 Y C -2.425 173.409 175.900 -0.110 0.000 1.055 96 Y CA -3.447 54.611 58.100 -0.069 0.000 1.143 96 Y CB -0.030 38.390 38.460 -0.066 0.000 1.193 96 Y HN 0.007 nan 8.280 nan 0.000 0.477 97 P HA 0.072 nan 4.420 nan 0.000 0.267 97 P C -0.064 177.177 177.300 -0.099 0.000 1.209 97 P CA 0.050 63.117 63.100 -0.057 0.000 0.763 97 P CB 0.562 32.225 31.700 -0.062 0.000 0.816 98 I N 2.405 122.875 120.570 -0.167 0.000 2.882 98 I HA 0.322 4.493 4.170 0.002 0.000 0.286 98 I C -1.856 174.152 176.117 -0.182 0.000 1.139 98 I CA -2.386 58.788 61.300 -0.210 0.000 1.379 98 I CB -0.700 37.135 38.000 -0.275 0.000 1.410 98 I HN 0.175 nan 8.210 nan 0.000 0.594 99 P HA 0.287 nan 4.420 nan 0.000 0.269 99 P C -0.121 176.869 177.300 -0.516 0.000 1.211 99 P CA 0.083 62.957 63.100 -0.377 0.000 0.781 99 P CB 0.457 31.858 31.700 -0.499 0.000 0.877 100 G N -0.165 108.441 108.800 -0.324 0.000 2.441 100 G HA2 0.484 4.446 3.960 0.002 0.000 0.294 100 G HA3 0.484 4.446 3.960 0.002 0.000 0.294 100 G C -1.849 172.972 174.900 -0.132 0.000 1.393 100 G CA -0.547 44.337 45.100 -0.360 0.000 0.796 100 G HN 0.443 nan 8.290 nan 0.000 0.494 101 E N -0.285 119.796 120.200 -0.198 0.000 2.429 101 E HA 0.460 4.811 4.350 0.002 0.000 0.276 101 E C -0.942 175.591 176.600 -0.112 0.000 0.953 101 E CA -0.818 55.557 56.400 -0.043 0.000 0.787 101 E CB 2.670 32.429 29.700 0.100 0.000 1.307 101 E HN 0.423 nan 8.360 nan 0.000 0.458 102 K N 0.258 120.650 120.400 -0.013 0.000 2.267 102 K HA 0.556 4.877 4.320 0.002 0.000 0.246 102 K C 0.273 176.895 176.600 0.036 0.000 0.954 102 K CA -0.869 55.419 56.287 0.002 0.000 0.824 102 K CB 2.057 34.572 32.500 0.024 0.000 1.167 102 K HN 0.626 nan 8.250 nan 0.000 0.431 103 G N -0.033 108.778 108.800 0.019 0.000 2.636 103 G HA2 0.261 4.222 3.960 0.002 0.000 0.246 103 G HA3 0.261 4.222 3.960 0.002 0.000 0.246 103 G C 0.938 175.886 174.900 0.080 0.000 1.216 103 G CA 0.083 45.212 45.100 0.048 0.000 0.854 103 G HN 0.599 nan 8.290 nan 0.000 0.572 104 A N -0.035 122.846 122.820 0.102 0.000 1.972 104 A HA 0.462 4.783 4.320 0.002 0.000 0.219 104 A C 1.555 179.190 177.584 0.086 0.000 1.169 104 A CA 1.939 54.030 52.037 0.090 0.000 0.635 104 A CB -0.754 18.302 19.000 0.094 0.000 0.810 104 A HN 2.554 nan 8.150 nan 0.000 0.446 105 G N -3.450 105.410 108.800 0.100 0.000 2.428 105 G HA2 0.275 4.237 3.960 0.002 0.000 0.681 105 G HA3 0.275 4.237 3.960 0.002 0.000 0.681 105 G C -0.626 174.359 174.900 0.141 0.000 1.340 105 G CA -0.374 44.803 45.100 0.128 0.000 0.915 105 G HN 0.509 nan 8.290 nan 0.000 0.645 106 T N 0.514 115.187 114.554 0.198 0.000 2.758 106 T HA 0.545 4.896 4.350 0.002 0.000 0.285 106 T C 0.300 175.129 174.700 0.214 0.000 0.981 106 T CA 0.071 62.279 62.100 0.180 0.000 0.965 106 T CB 1.573 70.540 68.868 0.165 0.000 0.927 106 T HN 1.715 nan 8.240 nan 0.000 0.448 107 V N 6.556 126.559 119.914 0.149 0.000 2.368 107 V HA 0.577 4.698 4.120 0.002 0.000 0.266 107 V C -0.527 175.646 176.094 0.130 0.000 1.045 107 V CA -0.726 61.662 62.300 0.146 0.000 0.899 107 V CB 0.288 32.171 31.823 0.099 0.000 1.006 107 V HN 0.694 nan 8.190 nan 0.000 0.470 108 L N 6.995 128.325 121.223 0.178 0.000 2.262 108 L HA 0.630 4.971 4.340 0.002 0.000 0.288 108 L C 0.263 177.198 176.870 0.107 0.000 1.035 108 L CA 0.611 55.526 54.840 0.125 0.000 0.820 108 L CB 1.369 43.501 42.059 0.122 0.000 1.204 108 L HN 0.764 nan 8.230 nan 0.000 0.424 109 T N 5.118 119.712 114.554 0.066 0.000 2.749 109 T HA 0.436 4.788 4.350 0.002 0.000 0.287 109 T C -0.631 174.091 174.700 0.036 0.000 0.970 109 T CA -0.272 61.860 62.100 0.053 0.000 0.980 109 T CB 1.221 70.114 68.868 0.041 0.000 0.924 109 T HN 0.493 nan 8.240 nan 0.000 0.456 110 V N 5.739 125.675 119.914 0.038 0.000 2.357 110 V HA 0.547 4.669 4.120 0.002 0.000 0.284 110 V C 0.002 176.107 176.094 0.019 0.000 1.018 110 V CA -0.921 61.392 62.300 0.022 0.000 0.841 110 V CB 0.590 32.423 31.823 0.018 0.000 0.991 110 V HN 0.864 nan 8.190 nan 0.000 0.437 111 K N 5.980 126.387 120.400 0.012 0.000 2.117 111 K HA 0.808 5.130 4.320 0.002 0.000 0.240 111 K C 0.311 176.915 176.600 0.007 0.000 1.031 111 K CA -0.174 56.120 56.287 0.010 0.000 0.909 111 K CB 0.813 33.318 32.500 0.008 0.000 1.097 111 K HN 0.808 nan 8.250 nan 0.000 0.492 112 A N 0.134 122.957 122.820 0.006 0.000 2.280 112 A HA 0.618 4.940 4.320 0.002 0.000 0.268 112 A C -0.296 177.289 177.584 0.000 0.000 1.111 112 A CA 0.030 52.069 52.037 0.004 0.000 0.814 112 A CB 0.293 19.296 19.000 0.005 0.000 1.093 112 A HN 0.881 nan 8.150 nan 0.000 0.498 113 A N 0.000 122.819 122.820 -0.001 0.000 2.254 113 A HA 0.000 4.321 4.320 0.002 0.000 0.244 113 A CA 0.000 52.035 52.037 -0.003 0.000 0.836 113 A CB 0.000 18.997 19.000 -0.005 0.000 0.831 113 A HN 0.000 nan 8.150 nan 0.000 0.486