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 1vj2_1_A DATA FIRST_RESID 1 DATA SEQUENCE MILKRAYDVT PQKISTDKVR GVRKRVLIGL KDAPNFVMRL FTVEPGGLID DATA SEQUENCE RHSHPWEHEI FVLKGKLTVL KEQGEETVEE GFYIFVEPNE IHGFRNDTDS DATA SEQUENCE EVEFLCLIPK EGGE 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.287 176.300 -0.022 0.000 1.140 1 M CA 0.000 55.287 55.300 -0.022 0.000 0.988 1 M CB 0.000 32.590 32.600 -0.017 0.000 1.302 2 I N 5.330 125.885 120.570 -0.026 0.000 2.371 2 I HA 0.335 4.509 4.170 0.006 0.000 0.290 2 I C -1.020 175.084 176.117 -0.021 0.000 1.028 2 I CA -0.434 60.851 61.300 -0.025 0.000 1.345 2 I CB 0.941 38.921 38.000 -0.032 0.000 1.407 2 I HN 0.495 nan 8.210 nan 0.000 0.501 3 L N 8.230 129.443 121.223 -0.017 0.000 2.372 3 L HA 0.528 4.871 4.340 0.006 0.000 0.273 3 L C -0.382 176.482 176.870 -0.010 0.000 0.989 3 L CA -0.183 54.650 54.840 -0.012 0.000 0.841 3 L CB 1.166 43.219 42.059 -0.010 0.000 1.225 3 L HN 0.477 nan 8.230 nan 0.000 0.414 4 K N 2.067 122.462 120.400 -0.008 0.000 2.502 4 K HA 0.484 4.807 4.320 0.006 0.000 0.257 4 K C -0.941 175.663 176.600 0.007 0.000 0.938 4 K CA -1.078 55.206 56.287 -0.004 0.000 0.819 4 K CB 2.990 35.483 32.500 -0.012 0.000 1.333 4 K HN 0.376 nan 8.250 nan 0.000 0.434 5 R N 1.268 121.777 120.500 0.016 0.000 2.370 5 R HA 0.118 4.461 4.340 0.006 0.000 0.309 5 R C 0.821 177.152 176.300 0.052 0.000 1.059 5 R CA 0.316 56.440 56.100 0.039 0.000 0.981 5 R CB 0.742 31.070 30.300 0.046 0.000 0.972 5 R HN 0.876 nan 8.270 nan 0.000 0.437 6 A N 4.922 127.788 122.820 0.077 0.000 1.902 6 A HA -0.203 4.121 4.320 0.006 0.000 0.217 6 A C 1.443 179.060 177.584 0.055 0.000 1.181 6 A CA 1.125 53.199 52.037 0.061 0.000 0.623 6 A CB -0.568 18.486 19.000 0.090 0.000 0.818 6 A HN 0.896 nan 8.150 nan 0.000 0.443 7 Y N 0.859 121.141 120.300 -0.029 0.000 2.256 7 Y HA -0.206 4.348 4.550 0.007 0.000 0.288 7 Y C 1.830 177.712 175.900 -0.030 0.000 1.155 7 Y CA 1.684 59.767 58.100 -0.029 0.000 1.203 7 Y CB -0.304 38.144 38.460 -0.019 0.000 0.980 7 Y HN 0.357 nan 8.280 nan 0.000 0.530 8 D N -0.778 119.657 120.400 0.058 0.000 2.310 8 D HA -0.060 4.583 4.640 0.006 0.000 0.212 8 D C 0.291 176.566 176.300 -0.042 0.000 0.965 8 D CA 0.463 54.468 54.000 0.009 0.000 0.879 8 D CB -0.213 40.595 40.800 0.013 0.000 0.921 8 D HN -0.031 nan 8.370 nan 0.000 0.510 9 V N 1.548 121.417 119.914 -0.076 0.000 2.555 9 V HA 0.019 4.143 4.120 0.006 0.000 0.286 9 V C 0.785 176.803 176.094 -0.128 0.000 1.044 9 V CA -0.141 62.100 62.300 -0.098 0.000 1.026 9 V CB 1.197 32.953 31.823 -0.111 0.000 0.981 9 V HN 0.015 nan 8.190 nan 0.000 0.480 10 T N 8.673 123.166 114.554 -0.102 0.000 2.867 10 T HA 0.141 4.495 4.350 0.006 0.000 0.297 10 T C -2.016 172.603 174.700 -0.135 0.000 0.989 10 T CA -0.220 61.817 62.100 -0.104 0.000 1.159 10 T CB 0.437 69.260 68.868 -0.074 0.000 0.928 10 T HN 0.598 nan 8.240 nan 0.000 0.538 11 P HA 0.335 nan 4.420 nan 0.000 0.282 11 P C -1.043 176.185 177.300 -0.120 0.000 1.249 11 P CA -0.853 62.145 63.100 -0.170 0.000 0.806 11 P CB 0.793 32.375 31.700 -0.195 0.000 0.984 12 Q N 1.099 120.829 119.800 -0.117 0.000 2.331 12 Q HA 0.274 4.617 4.340 0.006 0.000 0.257 12 Q C 0.166 176.130 176.000 -0.060 0.000 0.957 12 Q CA -0.167 55.591 55.803 -0.075 0.000 0.923 12 Q CB 0.948 29.649 28.738 -0.061 0.000 1.212 12 Q HN 0.287 nan 8.270 nan 0.000 0.443 13 K N 3.274 123.651 120.400 -0.038 0.000 2.412 13 K HA 0.107 4.431 4.320 0.006 0.000 0.281 13 K C -0.653 175.950 176.600 0.006 0.000 1.027 13 K CA -0.191 56.088 56.287 -0.013 0.000 0.989 13 K CB 0.465 32.961 32.500 -0.007 0.000 0.935 13 K HN 0.515 nan 8.250 nan 0.000 0.475 14 I N 3.637 124.226 120.570 0.031 0.000 2.312 14 I HA 0.129 4.302 4.170 0.006 0.000 0.290 14 I C -0.528 175.618 176.117 0.047 0.000 1.008 14 I CA -0.312 61.018 61.300 0.050 0.000 1.226 14 I CB 1.045 39.103 38.000 0.096 0.000 1.371 14 I HN 0.477 nan 8.210 nan 0.000 0.468 15 S N 4.922 120.643 115.700 0.035 0.000 2.718 15 S HA 0.579 5.052 4.470 0.006 0.000 0.294 15 S C 0.311 174.927 174.600 0.027 0.000 1.157 15 S CA -0.682 57.536 58.200 0.031 0.000 1.121 15 S CB 1.470 64.683 63.200 0.023 0.000 1.015 15 S HN 0.780 nan 8.310 nan 0.000 0.479 16 T N -0.843 113.728 114.554 0.029 0.000 2.773 16 T HA 0.478 4.831 4.350 0.006 0.000 0.278 16 T C 0.286 174.998 174.700 0.019 0.000 1.011 16 T CA -0.686 61.428 62.100 0.023 0.000 1.014 16 T CB 0.655 69.537 68.868 0.023 0.000 1.293 16 T HN 0.084 nan 8.240 nan 0.000 0.554 17 D N 0.048 120.457 120.400 0.014 0.000 2.149 17 D HA -0.018 4.625 4.640 0.006 0.000 0.198 17 D C 1.667 177.974 176.300 0.011 0.000 0.990 17 D CA 1.379 55.386 54.000 0.011 0.000 0.839 17 D CB 0.020 40.825 40.800 0.008 0.000 0.948 17 D HN 0.541 nan 8.370 nan 0.000 0.460 18 K N -0.624 119.782 120.400 0.010 0.000 2.354 18 K HA 0.181 4.504 4.320 0.006 0.000 0.194 18 K C -0.367 176.247 176.600 0.023 0.000 1.045 18 K CA 0.119 56.411 56.287 0.009 0.000 1.026 18 K CB 1.706 34.202 32.500 -0.008 0.000 0.866 18 K HN -0.061 nan 8.250 nan 0.000 0.530 19 V N 1.461 121.393 119.914 0.030 0.000 2.531 19 V HA 0.436 4.560 4.120 0.006 0.000 0.301 19 V C -0.873 175.252 176.094 0.052 0.000 1.034 19 V CA -0.953 61.378 62.300 0.051 0.000 0.865 19 V CB 1.796 33.655 31.823 0.061 0.000 0.995 19 V HN 0.055 nan 8.190 nan 0.000 0.424 20 R N 2.140 122.675 120.500 0.059 0.000 2.643 20 R HA 0.667 5.011 4.340 0.006 0.000 0.269 20 R C 0.292 176.628 176.300 0.060 0.000 1.037 20 R CA 0.346 56.477 56.100 0.051 0.000 0.894 20 R CB 1.913 32.236 30.300 0.039 0.000 1.238 20 R HN 1.236 nan 8.270 nan 0.000 0.459 21 G N 0.738 109.570 108.800 0.054 0.000 2.212 21 G HA2 -0.181 3.782 3.960 0.006 0.000 0.255 21 G HA3 -0.181 3.782 3.960 0.006 0.000 0.255 21 G C -0.903 174.041 174.900 0.074 0.000 1.062 21 G CA 0.292 45.427 45.100 0.057 0.000 0.815 21 G HN 0.464 nan 8.290 nan 0.000 0.497 22 V N -0.335 119.626 119.914 0.078 0.000 2.760 22 V HA 0.726 4.849 4.120 0.006 0.000 0.309 22 V C 0.214 176.351 176.094 0.072 0.000 1.077 22 V CA -1.024 61.340 62.300 0.106 0.000 0.910 22 V CB 2.027 33.944 31.823 0.158 0.000 1.008 22 V HN 0.434 nan 8.190 nan 0.000 0.424 23 R N 2.576 123.099 120.500 0.039 0.000 2.670 23 R HA 0.655 4.998 4.340 0.006 0.000 0.289 23 R C -0.874 175.338 176.300 -0.147 0.000 0.965 23 R CA -0.857 55.215 56.100 -0.047 0.000 0.899 23 R CB 2.653 32.904 30.300 -0.082 0.000 1.173 23 R HN 0.658 nan 8.270 nan 0.000 0.456 24 K N 2.660 122.914 120.400 -0.244 0.000 2.345 24 K HA 0.421 4.744 4.320 0.006 0.000 0.255 24 K C -0.927 175.420 176.600 -0.420 0.000 0.934 24 K CA -0.710 55.250 56.287 -0.544 0.000 0.801 24 K CB 1.382 33.610 32.500 -0.453 0.000 1.137 24 K HN 0.491 nan 8.250 nan 0.000 0.424 25 R N 2.609 122.821 120.500 -0.480 0.000 2.437 25 R HA 0.336 4.679 4.340 0.006 0.000 0.310 25 R C -0.988 175.139 176.300 -0.289 0.000 0.955 25 R CA -0.911 54.995 56.100 -0.322 0.000 0.851 25 R CB 2.147 32.273 30.300 -0.290 0.000 1.161 25 R HN 0.273 nan 8.270 nan 0.000 0.446 26 V N 5.979 125.773 119.914 -0.201 0.000 2.353 26 V HA 0.082 4.206 4.120 0.006 0.000 0.264 26 V C 1.333 177.361 176.094 -0.110 0.000 1.049 26 V CA 0.019 62.234 62.300 -0.142 0.000 0.896 26 V CB 0.685 32.445 31.823 -0.105 0.000 1.025 26 V HN 0.761 nan 8.190 nan 0.000 0.475 27 L N 5.133 126.301 121.223 -0.092 0.000 2.049 27 L HA 0.243 4.586 4.340 0.006 0.000 0.203 27 L C 0.547 177.382 176.870 -0.058 0.000 1.074 27 L CA 1.279 56.079 54.840 -0.067 0.000 0.749 27 L CB 0.030 42.062 42.059 -0.045 0.000 0.907 27 L HN 0.411 nan 8.230 nan 0.000 0.439 28 I N 0.119 120.656 120.570 -0.056 0.000 2.439 28 I HA 0.385 4.559 4.170 0.006 0.000 0.283 28 I C 0.185 176.257 176.117 -0.076 0.000 1.023 28 I CA -0.366 60.891 61.300 -0.072 0.000 1.100 28 I CB 1.556 39.502 38.000 -0.090 0.000 1.238 28 I HN -0.022 nan 8.210 nan 0.000 0.445 29 G N 4.729 113.484 108.800 -0.076 0.000 2.938 29 G HA2 0.527 4.490 3.960 0.006 0.000 0.258 29 G HA3 0.527 4.490 3.960 0.006 0.000 0.258 29 G C 0.636 175.490 174.900 -0.077 0.000 1.356 29 G CA -0.632 44.427 45.100 -0.070 0.000 1.052 29 G HN 0.520 nan 8.290 nan 0.000 0.550 30 L N 0.007 121.190 121.223 -0.068 0.000 2.191 30 L HA -0.053 4.291 4.340 0.006 0.000 0.212 30 L C 2.845 179.677 176.870 -0.063 0.000 1.103 30 L CA 1.528 56.328 54.840 -0.068 0.000 0.769 30 L CB -0.177 41.845 42.059 -0.062 0.000 0.908 30 L HN 0.666 nan 8.230 nan 0.000 0.438 31 K N -1.122 119.243 120.400 -0.058 0.000 2.365 31 K HA -0.051 4.273 4.320 0.006 0.000 0.197 31 K C 0.686 177.253 176.600 -0.056 0.000 1.042 31 K CA 0.915 57.171 56.287 -0.051 0.000 0.987 31 K CB 0.080 32.553 32.500 -0.045 0.000 0.779 31 K HN 0.269 nan 8.250 nan 0.000 0.484 32 D N 1.303 121.662 120.400 -0.069 0.000 2.323 32 D HA 0.081 4.725 4.640 0.006 0.000 0.218 32 D C 0.275 176.517 176.300 -0.095 0.000 0.973 32 D CA 0.482 54.436 54.000 -0.076 0.000 0.890 32 D CB 0.471 41.221 40.800 -0.082 0.000 1.011 32 D HN 0.300 nan 8.370 nan 0.000 0.499 33 A N 1.614 124.365 122.820 -0.116 0.000 2.343 33 A HA 0.492 4.815 4.320 0.006 0.000 0.316 33 A C -1.845 175.661 177.584 -0.131 0.000 1.104 33 A CA -1.122 50.816 52.037 -0.165 0.000 0.768 33 A CB 1.892 20.741 19.000 -0.251 0.000 1.213 33 A HN -0.153 nan 8.150 nan 0.000 0.456 34 P HA 0.015 nan 4.420 nan 0.000 0.230 34 P C 0.168 177.446 177.300 -0.036 0.000 1.168 34 P CA 0.934 63.997 63.100 -0.062 0.000 0.793 34 P CB 0.566 32.241 31.700 -0.042 0.000 0.851 35 N N -0.853 117.820 118.700 -0.044 0.000 2.677 35 N HA 0.150 4.893 4.740 0.006 0.000 0.242 35 N C 0.445 176.061 175.510 0.177 0.000 1.044 35 N CA 0.444 53.547 53.050 0.089 0.000 0.934 35 N CB 0.465 39.085 38.487 0.222 0.000 1.595 35 N HN 0.191 nan 8.380 nan 0.000 0.459 36 F N 0.385 120.337 119.950 0.002 0.000 2.650 36 F HA 0.773 5.303 4.527 0.005 0.000 0.320 36 F C -0.483 175.322 175.800 0.008 0.000 1.091 36 F CA -1.592 56.413 58.000 0.009 0.000 0.962 36 F CB 0.786 39.811 39.000 0.042 0.000 1.363 36 F HN -0.197 nan 8.300 nan 0.000 0.482 37 V N 0.134 120.130 119.914 0.138 0.000 3.001 37 V HA 0.732 4.856 4.120 0.006 0.000 0.314 37 V C -1.056 175.131 176.094 0.155 0.000 1.099 37 V CA -0.993 61.332 62.300 0.042 0.000 0.989 37 V CB 1.915 33.747 31.823 0.014 0.000 1.040 37 V HN 1.179 nan 8.190 nan 0.000 0.434 38 M N 3.384 123.032 119.600 0.081 0.000 2.197 38 M HA 0.734 5.218 4.480 0.006 0.000 0.301 38 M C -1.091 175.236 176.300 0.044 0.000 0.987 38 M CA -0.467 54.902 55.300 0.114 0.000 0.921 38 M CB 1.725 34.379 32.600 0.090 0.000 1.569 38 M HN 0.931 nan 8.290 nan 0.000 0.431 39 R N 2.906 123.443 120.500 0.062 0.000 2.778 39 R HA 0.759 5.102 4.340 0.006 0.000 0.277 39 R C -1.487 174.749 176.300 -0.107 0.000 0.977 39 R CA -0.739 55.311 56.100 -0.084 0.000 0.950 39 R CB 1.885 32.091 30.300 -0.156 0.000 1.165 39 R HN 0.664 nan 8.270 nan 0.000 0.474 40 L N 1.787 122.845 121.223 -0.275 0.000 2.325 40 L HA 0.585 4.928 4.340 0.006 0.000 0.281 40 L C -1.642 174.912 176.870 -0.528 0.000 1.004 40 L CA -0.271 54.415 54.840 -0.256 0.000 0.823 40 L CB 0.789 42.758 42.059 -0.149 0.000 1.236 40 L HN 0.491 nan 8.230 nan 0.000 0.415 41 F N 2.747 122.407 119.950 -0.483 0.000 2.458 41 F HA 0.616 5.146 4.527 0.005 0.000 0.336 41 F C 0.418 175.955 175.800 -0.438 0.000 1.114 41 F CA -0.312 57.336 58.000 -0.587 0.000 0.987 41 F CB 2.223 40.521 39.000 -1.171 0.000 1.130 41 F HN 0.411 nan 8.300 nan 0.000 0.458 42 T N 3.511 118.023 114.554 -0.069 0.000 2.797 42 T HA 0.603 4.957 4.350 0.006 0.000 0.279 42 T C -0.711 174.035 174.700 0.077 0.000 0.991 42 T CA -0.636 61.478 62.100 0.023 0.000 0.979 42 T CB 1.469 70.358 68.868 0.035 0.000 0.943 42 T HN 0.222 nan 8.240 nan 0.000 0.444 43 V N 3.564 123.549 119.914 0.119 0.000 2.409 43 V HA 0.359 4.483 4.120 0.006 0.000 0.291 43 V C 0.178 176.335 176.094 0.106 0.000 1.020 43 V CA -1.087 61.293 62.300 0.132 0.000 0.848 43 V CB 1.555 33.488 31.823 0.183 0.000 0.990 43 V HN 0.761 nan 8.190 nan 0.000 0.430 44 E N 4.661 124.912 120.200 0.086 0.000 2.408 44 E HA 0.232 4.586 4.350 0.006 0.000 0.259 44 E C -2.454 174.186 176.600 0.066 0.000 1.110 44 E CA -2.334 54.107 56.400 0.069 0.000 0.929 44 E CB 0.210 29.943 29.700 0.056 0.000 0.971 44 E HN 0.376 nan 8.360 nan 0.000 0.438 45 P HA -0.025 nan 4.420 nan 0.000 0.261 45 P C 0.618 177.944 177.300 0.043 0.000 1.183 45 P CA 1.376 64.503 63.100 0.046 0.000 0.761 45 P CB 0.210 31.932 31.700 0.037 0.000 0.785 46 G N 2.312 111.137 108.800 0.042 0.000 2.184 46 G HA2 -0.191 3.773 3.960 0.006 0.000 0.264 46 G HA3 -0.191 3.773 3.960 0.006 0.000 0.264 46 G C 0.650 175.578 174.900 0.047 0.000 0.975 46 G CA -0.147 44.976 45.100 0.038 0.000 0.642 46 G HN 0.875 nan 8.290 nan 0.000 0.536 47 G N -0.754 108.083 108.800 0.063 0.000 2.569 47 G HA2 0.640 4.603 3.960 0.006 0.000 0.249 47 G HA3 0.640 4.603 3.960 0.006 0.000 0.249 47 G C -0.557 174.396 174.900 0.088 0.000 1.216 47 G CA 0.279 45.424 45.100 0.076 0.000 0.845 47 G HN 1.259 nan 8.290 nan 0.000 0.568 48 L N 0.861 122.139 121.223 0.091 0.000 2.464 48 L HA 0.655 4.999 4.340 0.006 0.000 0.266 48 L C -1.035 175.904 176.870 0.114 0.000 0.965 48 L CA -0.695 54.200 54.840 0.092 0.000 0.833 48 L CB 2.001 44.093 42.059 0.056 0.000 1.296 48 L HN 0.448 nan 8.230 nan 0.000 0.405 49 I N 4.466 125.129 120.570 0.154 0.000 2.390 49 I HA 0.324 4.497 4.170 0.006 0.000 0.283 49 I C -0.380 175.800 176.117 0.105 0.000 1.016 49 I CA -0.535 60.862 61.300 0.162 0.000 1.151 49 I CB 1.303 39.487 38.000 0.306 0.000 1.293 49 I HN 0.583 nan 8.210 nan 0.000 0.458 50 D N 5.274 125.712 120.400 0.063 0.000 2.371 50 D HA 0.186 4.829 4.640 0.006 0.000 0.242 50 D C 0.400 176.725 176.300 0.042 0.000 1.218 50 D CA -0.142 53.871 54.000 0.021 0.000 0.945 50 D CB 0.930 41.735 40.800 0.008 0.000 1.137 50 D HN 0.293 nan 8.370 nan 0.000 0.464 51 R N 1.301 121.764 120.500 -0.061 0.000 2.585 51 R HA 0.168 4.511 4.340 0.006 0.000 0.275 51 R C 0.212 176.451 176.300 -0.102 0.000 1.018 51 R CA 0.414 56.410 56.100 -0.172 0.000 1.072 51 R CB 0.236 30.429 30.300 -0.179 0.000 0.953 51 R HN 0.587 nan 8.270 nan 0.000 0.419 52 H N -1.600 117.252 119.070 -0.364 0.000 2.932 52 H HA 0.426 4.985 4.556 0.005 0.000 0.307 52 H C -1.543 173.515 175.328 -0.449 0.000 1.391 52 H CA -0.975 54.885 56.048 -0.314 0.000 1.130 52 H CB 1.309 30.937 29.762 -0.223 0.000 1.836 52 H HN 0.642 nan 8.280 nan 0.000 0.522 53 S N -0.038 115.489 115.700 -0.287 0.000 2.638 53 S HA 0.715 5.188 4.470 0.006 0.000 0.274 53 S C -1.447 172.951 174.600 -0.336 0.000 1.157 53 S CA -0.729 57.209 58.200 -0.436 0.000 0.826 53 S CB 2.544 65.556 63.200 -0.313 0.000 1.139 53 S HN 1.224 nan 8.310 nan 0.000 0.474 54 H N -2.385 116.492 119.070 -0.321 0.000 3.094 54 H HA 0.542 5.101 4.556 0.005 0.000 0.346 54 H C -3.208 171.718 175.328 -0.670 0.000 1.238 54 H CA -1.640 54.003 56.048 -0.675 0.000 1.209 54 H CB 0.693 29.619 29.762 -1.394 0.000 1.911 54 H HN 0.400 nan 8.280 nan 0.000 0.540 55 P HA 0.069 nan 4.420 nan 0.000 0.269 55 P C -1.203 176.211 177.300 0.189 0.000 1.601 55 P CA 0.381 63.467 63.100 -0.023 0.000 0.831 55 P CB -0.973 30.794 31.700 0.111 0.000 1.688 56 W N 0.018 121.414 121.300 0.161 0.000 3.118 56 W HA 0.500 5.163 4.660 0.005 0.000 0.328 56 W C -0.307 176.215 176.519 0.005 0.000 1.239 56 W CA -1.178 56.203 57.345 0.061 0.000 1.176 56 W CB 0.453 29.916 29.460 0.004 0.000 1.433 56 W HN -0.199 nan 8.180 nan 0.000 0.562 57 E N 1.763 122.065 120.200 0.170 0.000 2.371 57 E HA 0.211 4.564 4.350 0.006 0.000 0.257 57 E C -0.971 175.619 176.600 -0.017 0.000 1.134 57 E CA -0.031 56.342 56.400 -0.045 0.000 0.919 57 E CB 0.807 30.531 29.700 0.040 0.000 1.025 57 E HN 0.599 nan 8.360 nan 0.000 0.438 58 H N 0.468 119.554 119.070 0.027 0.000 2.529 58 H HA 0.336 4.896 4.556 0.007 0.000 0.348 58 H C -0.616 174.819 175.328 0.177 0.000 1.079 58 H CA -0.570 55.569 56.048 0.152 0.000 1.198 58 H CB 1.443 31.269 29.762 0.106 0.000 1.521 58 H HN 0.487 nan 8.280 nan 0.000 0.514 59 E N 3.765 124.213 120.200 0.412 0.000 2.158 59 E HA 0.461 4.814 4.350 0.006 0.000 0.271 59 E C -0.308 176.514 176.600 0.370 0.000 0.911 59 E CA -0.499 56.143 56.400 0.403 0.000 0.767 59 E CB 2.237 32.130 29.700 0.322 0.000 1.120 59 E HN 0.393 nan 8.360 nan 0.000 0.405 60 I N 2.526 123.313 120.570 0.362 0.000 2.608 60 I HA 0.431 4.605 4.170 0.006 0.000 0.295 60 I C -1.138 175.217 176.117 0.395 0.000 1.049 60 I CA -0.951 60.555 61.300 0.342 0.000 1.063 60 I CB 1.663 39.780 38.000 0.194 0.000 1.248 60 I HN 0.442 nan 8.210 nan 0.000 0.424 61 F N 5.712 125.824 119.950 0.269 0.000 2.539 61 F HA 0.573 5.103 4.527 0.005 0.000 0.318 61 F C -0.733 175.218 175.800 0.252 0.000 1.135 61 F CA -0.727 57.425 58.000 0.252 0.000 0.915 61 F CB 1.493 40.619 39.000 0.210 0.000 1.176 61 F HN 0.005 nan 8.300 nan 0.000 0.440 62 V N 7.917 127.765 119.914 -0.109 0.000 2.455 62 V HA 0.119 4.242 4.120 0.006 0.000 0.273 62 V C 0.784 177.024 176.094 0.242 0.000 1.045 62 V CA 0.070 62.425 62.300 0.092 0.000 0.976 62 V CB 0.960 32.770 31.823 -0.021 0.000 0.993 62 V HN 0.885 nan 8.190 nan 0.000 0.475 63 L N 3.353 124.774 121.223 0.330 0.000 2.357 63 L HA 0.329 4.673 4.340 0.006 0.000 0.211 63 L C 0.957 177.954 176.870 0.211 0.000 1.075 63 L CA 0.652 55.685 54.840 0.322 0.000 0.830 63 L CB 0.195 42.419 42.059 0.275 0.000 0.996 63 L HN 0.597 nan 8.230 nan 0.000 0.467 64 K N -0.272 120.232 120.400 0.174 0.000 2.550 64 K HA 0.492 4.816 4.320 0.006 0.000 0.252 64 K C -0.467 176.197 176.600 0.107 0.000 0.943 64 K CA 0.128 56.488 56.287 0.123 0.000 0.806 64 K CB 1.731 34.291 32.500 0.101 0.000 1.289 64 K HN 0.064 nan 8.250 nan 0.000 0.435 65 G N 2.671 111.517 108.800 0.078 0.000 2.660 65 G HA2 -0.184 3.779 3.960 0.006 0.000 0.215 65 G HA3 -0.184 3.779 3.960 0.006 0.000 0.215 65 G C -1.457 173.464 174.900 0.034 0.000 1.345 65 G CA -0.714 44.420 45.100 0.058 0.000 0.877 65 G HN 0.525 nan 8.290 nan 0.000 0.549 66 K N -0.194 120.217 120.400 0.017 0.000 2.339 66 K HA 0.562 4.886 4.320 0.006 0.000 0.264 66 K C -0.738 175.851 176.600 -0.018 0.000 0.986 66 K CA -0.738 55.534 56.287 -0.024 0.000 0.866 66 K CB 2.149 34.630 32.500 -0.032 0.000 1.103 66 K HN 0.473 nan 8.250 nan 0.000 0.441 67 L N 2.592 123.782 121.223 -0.055 0.000 2.265 67 L HA 0.278 4.622 4.340 0.006 0.000 0.289 67 L C -0.632 176.201 176.870 -0.063 0.000 1.033 67 L CA 0.176 54.991 54.840 -0.040 0.000 0.814 67 L CB 1.595 43.598 42.059 -0.093 0.000 1.203 67 L HN 0.492 nan 8.230 nan 0.000 0.423 68 T N 4.854 119.397 114.554 -0.018 0.000 2.749 68 T HA 0.418 4.772 4.350 0.006 0.000 0.295 68 T C -0.246 174.437 174.700 -0.028 0.000 0.936 68 T CA -0.268 61.808 62.100 -0.040 0.000 1.060 68 T CB 0.724 69.572 68.868 -0.032 0.000 0.904 68 T HN 0.357 nan 8.240 nan 0.000 0.500 69 V N 6.040 125.900 119.914 -0.091 0.000 2.370 69 V HA 0.358 4.482 4.120 0.006 0.000 0.279 69 V C 0.228 176.190 176.094 -0.220 0.000 1.029 69 V CA -0.850 61.344 62.300 -0.176 0.000 0.870 69 V CB 0.890 32.624 31.823 -0.148 0.000 0.984 69 V HN 0.731 nan 8.190 nan 0.000 0.451 70 L N 5.604 126.641 121.223 -0.310 0.000 2.326 70 L HA 0.578 4.921 4.340 0.006 0.000 0.278 70 L C 0.200 176.915 176.870 -0.257 0.000 1.092 70 L CA -0.281 54.410 54.840 -0.248 0.000 0.810 70 L CB 0.744 42.656 42.059 -0.245 0.000 1.153 70 L HN 0.607 nan 8.230 nan 0.000 0.439 71 K N 0.992 121.280 120.400 -0.186 0.000 2.409 71 K HA 0.227 4.551 4.320 0.006 0.000 0.252 71 K C 0.397 176.913 176.600 -0.140 0.000 1.036 71 K CA -0.853 55.337 56.287 -0.162 0.000 0.871 71 K CB 2.169 34.592 32.500 -0.128 0.000 1.374 71 K HN 0.492 nan 8.250 nan 0.000 0.459 72 E N 0.810 120.936 120.200 -0.124 0.000 2.085 72 E HA -0.229 4.125 4.350 0.006 0.000 0.194 72 E C 0.525 177.073 176.600 -0.087 0.000 0.994 72 E CA 1.723 58.058 56.400 -0.107 0.000 0.801 72 E CB 0.323 29.966 29.700 -0.096 0.000 0.743 72 E HN 0.360 nan 8.360 nan 0.000 0.453 73 Q N -0.822 118.931 119.800 -0.078 0.000 2.139 73 Q HA 0.297 4.641 4.340 0.006 0.000 0.219 73 Q C -0.011 175.951 176.000 -0.064 0.000 0.805 73 Q CA 0.240 56.004 55.803 -0.064 0.000 1.024 73 Q CB 2.150 30.856 28.738 -0.054 0.000 1.163 73 Q HN 0.210 nan 8.270 nan 0.000 0.485 74 G N 0.596 109.351 108.800 -0.075 0.000 2.489 74 G HA2 0.439 4.403 3.960 0.006 0.000 0.305 74 G HA3 0.439 4.403 3.960 0.006 0.000 0.305 74 G C -1.717 173.130 174.900 -0.088 0.000 1.311 74 G CA -0.630 44.426 45.100 -0.072 0.000 0.813 74 G HN 0.036 nan 8.290 nan 0.000 0.480 75 E N -0.732 119.418 120.200 -0.084 0.000 2.393 75 E HA 0.586 4.939 4.350 0.006 0.000 0.273 75 E C -1.351 175.194 176.600 -0.092 0.000 0.918 75 E CA -0.825 55.517 56.400 -0.097 0.000 0.773 75 E CB 3.189 32.837 29.700 -0.087 0.000 1.275 75 E HN 0.474 nan 8.360 nan 0.000 0.451 76 E N 1.003 121.138 120.200 -0.108 0.000 2.274 76 E HA 0.244 4.597 4.350 0.006 0.000 0.269 76 E C -1.492 175.024 176.600 -0.141 0.000 0.891 76 E CA -0.482 55.848 56.400 -0.115 0.000 0.784 76 E CB 1.774 31.405 29.700 -0.115 0.000 1.225 76 E HN 0.350 nan 8.360 nan 0.000 0.412 77 T N 3.456 117.924 114.554 -0.144 0.000 2.743 77 T HA 0.381 4.735 4.350 0.006 0.000 0.293 77 T C 0.117 174.648 174.700 -0.282 0.000 0.945 77 T CA -0.435 61.565 62.100 -0.167 0.000 1.030 77 T CB 0.658 69.456 68.868 -0.117 0.000 0.912 77 T HN 0.382 nan 8.240 nan 0.000 0.483 78 V N 1.398 121.081 119.914 -0.385 0.000 3.229 78 V HA 0.913 5.036 4.120 0.006 0.000 0.310 78 V C -0.501 175.294 176.094 -0.499 0.000 1.206 78 V CA -1.173 60.684 62.300 -0.737 0.000 1.051 78 V CB 2.040 33.178 31.823 -1.143 0.000 1.183 78 V HN 0.935 nan 8.190 nan 0.000 0.466 79 E N -0.697 119.175 120.200 -0.546 0.000 2.459 79 E HA 0.391 4.745 4.350 0.006 0.000 0.275 79 E C -0.979 175.646 176.600 0.042 0.000 0.987 79 E CA -0.914 55.404 56.400 -0.137 0.000 0.828 79 E CB 1.522 31.190 29.700 -0.053 0.000 1.428 79 E HN 0.934 nan 8.360 nan 0.000 0.457 80 E N 0.070 120.312 120.200 0.070 0.000 2.900 80 E HA 0.083 4.437 4.350 0.006 0.000 0.259 80 E C 0.618 177.304 176.600 0.143 0.000 0.918 80 E CA 0.816 57.283 56.400 0.112 0.000 0.960 80 E CB -0.241 29.533 29.700 0.124 0.000 0.908 80 E HN 0.964 nan 8.360 nan 0.000 0.511 81 G N 2.726 111.558 108.800 0.054 0.000 2.195 81 G HA2 -0.267 3.696 3.960 0.006 0.000 0.224 81 G HA3 -0.267 3.696 3.960 0.006 0.000 0.224 81 G C -0.176 174.588 174.900 -0.225 0.000 0.990 81 G CA -0.175 44.933 45.100 0.012 0.000 0.639 81 G HN 0.471 nan 8.290 nan 0.000 0.514 82 F N 1.279 120.996 119.950 -0.389 0.000 2.389 82 F HA 0.640 5.170 4.527 0.005 0.000 0.337 82 F C 0.875 176.368 175.800 -0.511 0.000 1.112 82 F CA -0.638 57.151 58.000 -0.352 0.000 1.192 82 F CB 0.562 39.414 39.000 -0.247 0.000 1.185 82 F HN 0.302 nan 8.300 nan 0.000 0.552 83 Y N 0.706 120.885 120.300 -0.201 0.000 2.528 83 Y HA 0.861 5.414 4.550 0.005 0.000 0.335 83 Y C -1.170 174.781 175.900 0.084 0.000 1.093 83 Y CA -1.995 56.068 58.100 -0.062 0.000 1.134 83 Y CB 0.917 39.434 38.460 0.094 0.000 1.253 83 Y HN 0.383 nan 8.280 nan 0.000 0.478 84 I N 3.092 123.799 120.570 0.227 0.000 2.619 84 I HA 0.335 4.508 4.170 0.006 0.000 0.292 84 I C -1.699 174.618 176.117 0.333 0.000 1.100 84 I CA -0.698 60.703 61.300 0.168 0.000 1.043 84 I CB 2.294 40.351 38.000 0.095 0.000 1.239 84 I HN 0.653 nan 8.210 nan 0.000 0.420 85 F N 7.178 127.203 119.950 0.126 0.000 2.477 85 F HA 0.675 5.205 4.527 0.005 0.000 0.335 85 F C -1.055 174.781 175.800 0.060 0.000 1.130 85 F CA -0.742 57.335 58.000 0.128 0.000 0.948 85 F CB 1.355 40.438 39.000 0.137 0.000 1.154 85 F HN 0.048 nan 8.300 nan 0.000 0.439 86 V N 5.508 125.101 119.914 -0.536 0.000 2.398 86 V HA 0.343 4.466 4.120 0.006 0.000 0.286 86 V C -0.086 175.446 176.094 -0.937 0.000 1.026 86 V CA -0.837 61.113 62.300 -0.584 0.000 0.868 86 V CB 1.330 32.888 31.823 -0.443 0.000 0.982 86 V HN 0.713 nan 8.190 nan 0.000 0.443 87 E N 5.399 125.171 120.200 -0.713 0.000 2.374 87 E HA 0.289 4.642 4.350 0.006 0.000 0.260 87 E C -2.450 173.950 176.600 -0.334 0.000 1.101 87 E CA -1.552 54.538 56.400 -0.517 0.000 0.907 87 E CB 0.660 30.245 29.700 -0.191 0.000 1.014 87 E HN 0.483 nan 8.360 nan 0.000 0.427 88 P HA -0.048 nan 4.420 nan 0.000 0.264 88 P C -0.907 176.292 177.300 -0.168 0.000 1.183 88 P CA 0.754 63.770 63.100 -0.140 0.000 0.763 88 P CB 0.262 31.953 31.700 -0.015 0.000 0.807 89 N N -1.371 117.188 118.700 -0.235 0.000 2.878 89 N HA -0.225 4.518 4.740 0.006 0.000 0.247 89 N C -0.108 175.284 175.510 -0.197 0.000 1.021 89 N CA 0.671 53.596 53.050 -0.207 0.000 0.873 89 N CB -1.135 37.280 38.487 -0.121 0.000 1.128 89 N HN 0.581 nan 8.380 nan 0.000 0.571 90 E N 1.129 121.194 120.200 -0.224 0.000 2.227 90 E HA 0.358 4.712 4.350 0.006 0.000 0.282 90 E C -0.131 176.385 176.600 -0.139 0.000 1.015 90 E CA -0.579 55.714 56.400 -0.178 0.000 0.823 90 E CB 0.732 30.314 29.700 -0.197 0.000 1.081 90 E HN 0.142 nan 8.360 nan 0.000 0.396 91 I N 6.329 126.805 120.570 -0.157 0.000 2.598 91 I HA 0.015 4.189 4.170 0.006 0.000 0.284 91 I C 0.243 176.235 176.117 -0.209 0.000 1.140 91 I CA 0.571 61.739 61.300 -0.221 0.000 1.420 91 I CB 0.022 37.905 38.000 -0.194 0.000 1.387 91 I HN 0.553 nan 8.210 nan 0.000 0.553 92 H N 4.224 122.979 119.070 -0.526 0.000 2.990 92 H HA 0.853 5.412 4.556 0.005 0.000 0.336 92 H C -0.782 174.136 175.328 -0.684 0.000 1.306 92 H CA -0.979 54.723 56.048 -0.577 0.000 1.118 92 H CB 1.530 30.965 29.762 -0.545 0.000 1.856 92 H HN 0.652 nan 8.280 nan 0.000 0.538 93 G N -0.220 108.115 108.800 -0.776 0.000 2.488 93 G HA2 0.496 4.460 3.960 0.006 0.000 0.301 93 G HA3 0.496 4.460 3.960 0.006 0.000 0.301 93 G C -2.331 171.920 174.900 -1.081 0.000 1.339 93 G CA -0.906 43.771 45.100 -0.704 0.000 0.803 93 G HN 0.392 nan 8.290 nan 0.000 0.482 94 F N -0.798 119.130 119.950 -0.038 0.000 2.645 94 F HA 0.879 5.409 4.527 0.005 0.000 0.310 94 F C 0.163 175.950 175.800 -0.020 0.000 1.102 94 F CA -0.889 57.071 58.000 -0.067 0.000 0.952 94 F CB 2.834 41.774 39.000 -0.099 0.000 1.326 94 F HN 0.581 nan 8.300 nan 0.000 0.456 95 R N 1.191 121.789 120.500 0.162 0.000 2.629 95 R HA 0.383 4.726 4.340 0.006 0.000 0.266 95 R C -2.087 174.266 176.300 0.088 0.000 1.051 95 R CA -0.800 55.361 56.100 0.102 0.000 0.895 95 R CB 1.977 32.301 30.300 0.040 0.000 1.246 95 R HN 0.696 nan 8.270 nan 0.000 0.459 96 N N 1.943 120.692 118.700 0.082 0.000 2.469 96 N HA 0.162 4.905 4.740 0.006 0.000 0.253 96 N C -0.986 174.548 175.510 0.042 0.000 0.970 96 N CA -0.285 52.805 53.050 0.067 0.000 0.940 96 N CB 1.359 39.897 38.487 0.085 0.000 1.128 96 N HN 0.517 nan 8.380 nan 0.000 0.503 97 D N 1.295 121.710 120.400 0.025 0.000 2.342 97 D HA 0.044 4.688 4.640 0.006 0.000 0.221 97 D C 0.375 176.682 176.300 0.013 0.000 1.101 97 D CA 0.306 54.314 54.000 0.013 0.000 0.837 97 D CB 0.454 41.253 40.800 -0.001 0.000 0.938 97 D HN 0.649 nan 8.370 nan 0.000 0.508 98 T N -2.795 111.771 114.554 0.021 0.000 2.938 98 T HA 0.299 4.652 4.350 0.006 0.000 0.285 98 T C 0.411 175.126 174.700 0.025 0.000 1.028 98 T CA -0.706 61.406 62.100 0.019 0.000 1.005 98 T CB 2.171 71.052 68.868 0.021 0.000 1.157 98 T HN -0.335 nan 8.240 nan 0.000 0.550 99 D N 0.824 121.237 120.400 0.023 0.000 2.358 99 D HA 0.236 4.879 4.640 0.006 0.000 0.224 99 D C 0.367 176.684 176.300 0.028 0.000 1.123 99 D CA 0.035 54.049 54.000 0.024 0.000 0.833 99 D CB 0.168 40.979 40.800 0.019 0.000 0.946 99 D HN 0.654 nan 8.370 nan 0.000 0.505 100 S N -1.063 114.657 115.700 0.033 0.000 2.661 100 S HA 0.451 4.924 4.470 0.006 0.000 0.285 100 S C -0.205 174.425 174.600 0.052 0.000 1.138 100 S CA -0.983 57.240 58.200 0.039 0.000 0.855 100 S CB 2.442 65.662 63.200 0.034 0.000 1.136 100 S HN -0.128 nan 8.310 nan 0.000 0.484 101 E N 0.330 120.566 120.200 0.059 0.000 2.354 101 E HA 0.460 4.814 4.350 0.006 0.000 0.269 101 E C -0.934 175.720 176.600 0.090 0.000 1.036 101 E CA -0.484 55.962 56.400 0.078 0.000 0.876 101 E CB 1.147 30.900 29.700 0.087 0.000 1.009 101 E HN 0.391 nan 8.360 nan 0.000 0.416 102 V N 3.054 123.035 119.914 0.113 0.000 2.581 102 V HA 0.261 4.384 4.120 0.006 0.000 0.303 102 V C -0.268 175.932 176.094 0.177 0.000 1.041 102 V CA -0.567 61.817 62.300 0.140 0.000 0.907 102 V CB 1.752 33.662 31.823 0.145 0.000 0.994 102 V HN 0.639 nan 8.190 nan 0.000 0.442 103 E N 4.027 124.345 120.200 0.197 0.000 2.266 103 E HA 0.700 5.053 4.350 0.006 0.000 0.268 103 E C -1.566 175.217 176.600 0.305 0.000 0.879 103 E CA -0.523 55.992 56.400 0.191 0.000 0.762 103 E CB 2.895 32.697 29.700 0.170 0.000 1.199 103 E HN 0.590 nan 8.360 nan 0.000 0.422 104 F N -0.253 119.771 119.950 0.123 0.000 2.628 104 F HA 0.515 5.044 4.527 0.004 0.000 0.309 104 F C -1.831 174.077 175.800 0.179 0.000 1.108 104 F CA -1.394 56.681 58.000 0.124 0.000 0.971 104 F CB 0.704 39.706 39.000 0.003 0.000 1.279 104 F HN 0.269 nan 8.300 nan 0.000 0.441 105 L N 3.310 124.755 121.223 0.370 0.000 2.350 105 L HA 0.647 4.990 4.340 0.006 0.000 0.275 105 L C -0.653 176.465 176.870 0.413 0.000 1.099 105 L CA -0.189 54.826 54.840 0.293 0.000 0.808 105 L CB 1.263 43.493 42.059 0.284 0.000 1.149 105 L HN 0.997 nan 8.230 nan 0.000 0.442 106 C N 5.755 125.274 119.300 0.365 0.000 2.551 106 C HA 0.737 5.200 4.460 0.006 0.000 0.332 106 C C -1.043 174.174 174.990 0.378 0.000 1.139 106 C CA -0.838 58.431 59.018 0.419 0.000 1.328 106 C CB 0.322 28.347 27.740 0.475 0.000 1.903 106 C HN 0.718 nan 8.230 nan 0.000 0.459 107 L N 7.019 128.475 121.223 0.388 0.000 2.362 107 L HA 0.821 5.164 4.340 0.006 0.000 0.271 107 L C -0.149 176.952 176.870 0.384 0.000 1.002 107 L CA -0.329 54.730 54.840 0.365 0.000 0.818 107 L CB 1.725 43.987 42.059 0.339 0.000 1.298 107 L HN 0.741 nan 8.230 nan 0.000 0.420 108 I N -0.422 120.345 120.570 0.328 0.000 2.894 108 I HA 0.720 4.893 4.170 0.006 0.000 0.302 108 I C -2.754 173.462 176.117 0.166 0.000 1.188 108 I CA -2.283 59.165 61.300 0.247 0.000 1.014 108 I CB 2.422 40.540 38.000 0.196 0.000 1.242 108 I HN 0.259 nan 8.210 nan 0.000 0.430 109 P HA 0.145 nan 4.420 nan 0.000 0.272 109 P C -0.203 177.068 177.300 -0.048 0.000 1.240 109 P CA -0.342 62.813 63.100 0.093 0.000 0.791 109 P CB 0.775 32.526 31.700 0.085 0.000 0.978 110 K N 0.857 121.246 120.400 -0.018 0.000 2.209 110 K HA -0.207 4.116 4.320 0.006 0.000 0.204 110 K C 1.815 178.301 176.600 -0.191 0.000 1.048 110 K CA 1.778 58.010 56.287 -0.092 0.000 0.940 110 K CB -0.642 31.826 32.500 -0.052 0.000 0.729 110 K HN 0.387 nan 8.250 nan 0.000 0.451 111 E N 1.465 121.556 120.200 -0.182 0.000 2.147 111 E HA -0.199 4.155 4.350 0.006 0.000 0.199 111 E C 2.009 178.264 176.600 -0.575 0.000 1.005 111 E CA 1.832 58.090 56.400 -0.237 0.000 0.810 111 E CB -0.621 29.020 29.700 -0.098 0.000 0.736 111 E HN 0.464 nan 8.360 nan 0.000 0.460 112 G N -0.744 107.483 108.800 -0.956 0.000 2.471 112 G HA2 0.224 4.188 3.960 0.006 0.000 0.219 112 G HA3 0.224 4.188 3.960 0.006 0.000 0.219 112 G C 0.939 175.139 174.900 -1.166 0.000 1.125 112 G CA 0.513 44.331 45.100 -2.136 0.000 0.775 112 G HN 0.767 nan 8.290 nan 0.000 0.548 113 G N -0.929 107.534 108.800 -0.561 0.000 2.545 113 G HA2 0.036 3.999 3.960 0.006 0.000 0.211 113 G HA3 0.036 3.999 3.960 0.006 0.000 0.211 113 G C -0.451 174.354 174.900 -0.158 0.000 1.167 113 G CA 0.255 45.189 45.100 -0.276 0.000 1.151 113 G HN 0.771 nan 8.290 nan 0.000 0.581 114 E N 0.000 120.158 120.200 -0.070 0.000 2.725 114 E HA 0.000 4.353 4.350 0.006 0.000 0.291 114 E CA 0.000 56.386 56.400 -0.024 0.000 0.976 114 E CB 0.000 29.674 29.700 -0.043 0.000 0.812 114 E HN 0.000 nan 8.360 nan 0.000 0.440