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 2rax_1_A DATA FIRST_RESID 5 DATA SEQUENCE TLPPAWQPFL KDHRISTFKN WPFLEGCACT PERMAEAGFI HCPTENEPDL DATA SEQUENCE AQCFFCFKEL EGWEPDDDPI EEHKKHSSGC AFLSVKKQFE ELTLGEFLKL DATA SEQUENCE DRERAKNKIA KETNN 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 5 T HA 0.000 nan 4.350 nan 0.000 0.228 5 T C 0.000 174.703 174.700 0.005 0.000 1.109 5 T CA 0.000 62.096 62.100 -0.006 0.000 1.349 5 T CB 0.000 68.861 68.868 -0.011 0.000 0.612 6 L N 2.891 124.122 121.223 0.013 0.000 2.301 6 L HA 0.773 5.114 4.340 0.000 0.000 0.264 6 L C -2.004 174.872 176.870 0.009 0.000 1.016 6 L CA -2.813 52.063 54.840 0.059 0.000 0.821 6 L CB 1.903 44.057 42.059 0.158 0.000 1.346 6 L HN 0.505 nan 8.230 nan 0.000 0.429 7 P HA 0.043 nan 4.420 nan 0.000 0.265 7 P C -2.356 174.893 177.300 -0.085 0.000 1.187 7 P CA -0.974 62.042 63.100 -0.140 0.000 0.766 7 P CB 0.069 31.548 31.700 -0.368 0.000 0.820 8 P HA -0.201 nan 4.420 nan 0.000 0.217 8 P C 1.422 178.756 177.300 0.056 0.000 1.148 8 P CA 2.046 65.134 63.100 -0.019 0.000 0.828 8 P CB -0.366 31.327 31.700 -0.011 0.000 0.783 9 A N -1.835 120.992 122.820 0.012 0.000 2.024 9 A HA -0.159 4.161 4.320 0.000 0.000 0.220 9 A C 1.539 179.406 177.584 0.472 0.000 1.164 9 A CA 1.260 53.376 52.037 0.131 0.000 0.643 9 A CB -1.390 17.575 19.000 -0.059 0.000 0.806 9 A HN 0.251 nan 8.150 nan 0.000 0.451 10 W N -0.940 120.518 121.300 0.263 0.000 3.058 10 W HA 0.221 4.881 4.660 -0.000 0.000 0.306 10 W C 1.981 178.697 176.519 0.327 0.000 1.188 10 W CA -0.246 57.325 57.345 0.377 0.000 1.651 10 W CB -0.802 28.731 29.460 0.122 0.000 1.051 10 W HN 0.466 nan 8.180 nan 0.000 0.592 11 Q N 0.626 120.602 119.800 0.294 0.000 2.133 11 Q HA -0.201 4.139 4.340 0.000 0.000 0.208 11 Q C -0.713 175.367 176.000 0.133 0.000 0.991 11 Q CA 2.088 57.895 55.803 0.006 0.000 0.867 11 Q CB -1.430 27.015 28.738 -0.487 0.000 0.911 11 Q HN 0.064 nan 8.270 nan 0.000 0.417 12 P HA -0.099 nan 4.420 nan 0.000 0.244 12 P C -0.011 176.863 177.300 -0.711 0.000 1.211 12 P CA 0.850 63.909 63.100 -0.068 0.000 0.760 12 P CB -0.119 31.552 31.700 -0.048 0.000 0.961 13 F N -0.712 119.050 119.950 -0.315 0.000 2.456 13 F HA 0.054 4.581 4.527 0.000 0.000 0.298 13 F C 1.171 176.795 175.800 -0.293 0.000 1.104 13 F CA 0.560 58.358 58.000 -0.336 0.000 1.435 13 F CB -0.339 38.781 39.000 0.200 0.000 1.078 13 F HN -0.195 nan 8.300 nan 0.000 0.546 14 L N 0.422 121.642 121.223 -0.005 0.000 2.265 14 L HA 0.209 4.549 4.340 0.000 0.000 0.288 14 L C 1.652 178.489 176.870 -0.055 0.000 1.058 14 L CA -0.501 54.352 54.840 0.023 0.000 0.809 14 L CB 0.888 42.992 42.059 0.075 0.000 1.179 14 L HN -0.120 nan 8.230 nan 0.000 0.429 15 K N 2.129 122.502 120.400 -0.043 0.000 2.049 15 K HA -0.286 4.034 4.320 0.000 0.000 0.219 15 K C 1.041 177.629 176.600 -0.021 0.000 1.056 15 K CA 2.487 58.750 56.287 -0.040 0.000 0.946 15 K CB 0.083 32.593 32.500 0.016 0.000 0.723 15 K HN 0.753 nan 8.250 nan 0.000 0.453 16 D N -0.782 119.628 120.400 0.017 0.000 2.133 16 D HA -0.199 4.441 4.640 0.000 0.000 0.192 16 D C 1.947 178.276 176.300 0.049 0.000 1.001 16 D CA 1.454 55.474 54.000 0.033 0.000 0.844 16 D CB -0.317 40.512 40.800 0.047 0.000 0.944 16 D HN 0.436 nan 8.370 nan 0.000 0.447 17 H N 0.492 119.538 119.070 -0.040 0.000 2.321 17 H HA -0.013 4.543 4.556 0.000 0.000 0.300 17 H C 2.066 177.349 175.328 -0.075 0.000 1.087 17 H CA 1.171 57.190 56.048 -0.048 0.000 1.319 17 H CB 0.179 29.913 29.762 -0.047 0.000 1.379 17 H HN 0.045 nan 8.280 nan 0.000 0.501 18 R N 0.024 120.388 120.500 -0.226 0.000 2.139 18 R HA -0.159 4.181 4.340 0.000 0.000 0.243 18 R C 2.527 178.737 176.300 -0.151 0.000 1.145 18 R CA 1.529 57.461 56.100 -0.279 0.000 0.976 18 R CB -0.210 29.965 30.300 -0.208 0.000 0.866 18 R HN 0.387 nan 8.270 nan 0.000 0.449 19 I N 0.619 121.169 120.570 -0.033 0.000 2.163 19 I HA -0.287 3.883 4.170 0.000 0.000 0.240 19 I C 2.543 178.684 176.117 0.040 0.000 1.081 19 I CA 1.571 62.926 61.300 0.091 0.000 1.353 19 I CB -0.348 37.670 38.000 0.031 0.000 1.054 19 I HN 0.203 nan 8.210 nan 0.000 0.407 20 S N -0.000 115.667 115.700 -0.055 0.000 2.441 20 S HA -0.273 4.197 4.470 0.000 0.000 0.242 20 S C 2.018 176.562 174.600 -0.093 0.000 1.018 20 S CA 1.834 60.005 58.200 -0.049 0.000 0.988 20 S CB -1.403 61.784 63.200 -0.022 0.000 0.778 20 S HN 0.649 nan 8.310 nan 0.000 0.498 21 T N -1.928 112.484 114.554 -0.236 0.000 3.023 21 T HA 0.143 4.493 4.350 0.000 0.000 0.266 21 T C 0.418 175.000 174.700 -0.197 0.000 1.093 21 T CA -0.009 61.913 62.100 -0.296 0.000 1.129 21 T CB -0.824 67.742 68.868 -0.504 0.000 0.899 21 T HN 0.304 nan 8.240 nan 0.000 0.491 22 F N 2.818 122.766 119.950 -0.003 0.000 2.651 22 F HA 0.396 4.923 4.527 -0.000 0.000 0.347 22 F C 0.788 176.685 175.800 0.163 0.000 1.284 22 F CA -0.778 57.256 58.000 0.056 0.000 1.175 22 F CB -0.020 38.843 39.000 -0.230 0.000 1.542 22 F HN 0.012 nan 8.300 nan 0.000 0.661 23 K N 2.616 123.267 120.400 0.417 0.000 2.262 23 K HA 0.184 4.504 4.320 0.000 0.000 0.282 23 K C 0.196 176.985 176.600 0.316 0.000 1.066 23 K CA -0.237 56.209 56.287 0.264 0.000 0.901 23 K CB 0.152 32.733 32.500 0.134 0.000 1.089 23 K HN 0.624 nan 8.250 nan 0.000 0.476 24 N N 2.189 121.020 118.700 0.218 0.000 2.740 24 N HA -0.226 4.514 4.740 0.000 0.000 0.248 24 N C -1.005 174.608 175.510 0.171 0.000 1.062 24 N CA 0.515 53.657 53.050 0.153 0.000 0.704 24 N CB -0.725 37.815 38.487 0.088 0.000 0.968 24 N HN 0.617 nan 8.380 nan 0.000 0.547 25 W N 1.716 123.025 121.300 0.014 0.000 2.264 25 W HA 0.024 4.684 4.660 0.000 0.000 0.331 25 W C -1.217 175.186 176.519 -0.194 0.000 1.364 25 W CA -1.221 56.058 57.345 -0.109 0.000 1.253 25 W CB 0.510 29.857 29.460 -0.188 0.000 1.215 25 W HN 0.169 nan 8.180 nan 0.000 0.561 26 P HA -0.221 nan 4.420 nan 0.000 0.213 26 P C 0.025 176.915 177.300 -0.683 0.000 1.170 26 P CA 1.563 64.111 63.100 -0.920 0.000 0.902 26 P CB -0.118 30.651 31.700 -1.550 0.000 0.789 27 F N -0.097 119.719 119.950 -0.223 0.000 2.404 27 F HA 0.396 4.923 4.527 0.000 0.000 0.358 27 F C 0.915 176.799 175.800 0.141 0.000 1.120 27 F CA -0.510 57.497 58.000 0.011 0.000 1.144 27 F CB 0.063 39.086 39.000 0.038 0.000 1.133 27 F HN -0.226 nan 8.300 nan 0.000 0.495 28 L N 1.378 122.728 121.223 0.211 0.000 2.183 28 L HA 0.659 4.999 4.340 0.000 0.000 0.253 28 L C -0.164 176.756 176.870 0.083 0.000 1.048 28 L CA -0.993 53.922 54.840 0.125 0.000 0.890 28 L CB 1.338 43.445 42.059 0.080 0.000 1.476 28 L HN 0.566 nan 8.230 nan 0.000 0.455 29 E N -0.282 119.945 120.200 0.044 0.000 3.335 29 E HA -0.181 4.169 4.350 0.000 0.000 0.245 29 E C -0.012 176.600 176.600 0.020 0.000 1.424 29 E CA 1.350 57.766 56.400 0.028 0.000 2.044 29 E CB -1.133 28.586 29.700 0.031 0.000 2.060 29 E HN 0.918 nan 8.360 nan 0.000 0.514 30 G N -0.213 108.597 108.800 0.017 0.000 2.346 30 G HA2 0.381 4.341 3.960 0.000 0.000 0.275 30 G HA3 0.381 4.341 3.960 0.000 0.000 0.275 30 G C -0.204 174.706 174.900 0.016 0.000 1.190 30 G CA 0.688 45.794 45.100 0.011 0.000 1.015 30 G HN 0.625 nan 8.290 nan 0.000 0.441 31 C N 1.544 120.849 119.300 0.009 0.000 3.306 31 C HA 0.671 5.131 4.460 0.000 0.000 0.335 31 C C 1.309 176.294 174.990 -0.009 0.000 1.382 31 C CA 0.327 59.350 59.018 0.009 0.000 1.254 31 C CB 1.075 28.841 27.740 0.043 0.000 1.555 31 C HN 1.022 nan 8.230 nan 0.000 0.463 32 A N 0.245 123.053 122.820 -0.020 0.000 1.984 32 A HA 0.157 4.477 4.320 0.000 0.000 0.214 32 A C 1.309 178.875 177.584 -0.029 0.000 1.173 32 A CA 1.442 53.469 52.037 -0.017 0.000 0.673 32 A CB -0.522 18.471 19.000 -0.011 0.000 0.830 32 A HN 1.814 nan 8.150 nan 0.000 0.453 33 C N -1.959 117.316 119.300 -0.041 0.000 2.913 33 C HA 0.499 4.959 4.460 0.000 0.000 0.246 33 C C 0.620 175.539 174.990 -0.117 0.000 1.857 33 C CA -0.325 58.628 59.018 -0.108 0.000 1.690 33 C CB -1.722 25.942 27.740 -0.126 0.000 3.235 33 C HN 0.324 nan 8.230 nan 0.000 0.475 34 T N 3.825 118.330 114.554 -0.082 0.000 2.908 34 T HA 0.181 4.531 4.350 0.000 0.000 0.301 34 T C -0.706 173.745 174.700 -0.415 0.000 1.019 34 T CA 0.099 62.124 62.100 -0.125 0.000 1.152 34 T CB 0.687 69.524 68.868 -0.051 0.000 0.966 34 T HN 0.389 nan 8.240 nan 0.000 0.540 35 P HA -0.208 nan 4.420 nan 0.000 0.226 35 P C 0.949 177.850 177.300 -0.664 0.000 1.154 35 P CA 1.577 63.980 63.100 -1.161 0.000 0.901 35 P CB 0.043 31.211 31.700 -0.886 0.000 0.788 36 E N -1.571 118.418 120.200 -0.351 0.000 2.510 36 E HA -0.136 4.214 4.350 0.000 0.000 0.202 36 E C 1.726 178.230 176.600 -0.160 0.000 1.072 36 E CA 0.407 56.691 56.400 -0.193 0.000 0.883 36 E CB -0.104 29.527 29.700 -0.115 0.000 0.818 36 E HN 0.258 nan 8.360 nan 0.000 0.548 37 R N -0.782 119.580 120.500 -0.230 0.000 2.310 37 R HA 0.209 4.549 4.340 0.000 0.000 0.199 37 R C 1.995 178.210 176.300 -0.142 0.000 0.891 37 R CA 0.167 56.181 56.100 -0.142 0.000 1.060 37 R CB -0.021 30.204 30.300 -0.125 0.000 1.188 37 R HN 0.177 nan 8.270 nan 0.000 0.607 38 M N 0.740 120.129 119.600 -0.352 0.000 2.077 38 M HA 0.032 4.512 4.480 0.000 0.000 0.261 38 M C 2.295 178.603 176.300 0.012 0.000 1.070 38 M CA 1.772 56.889 55.300 -0.306 0.000 1.125 38 M CB -0.943 31.120 32.600 -0.895 0.000 1.339 38 M HN 0.043 nan 8.290 nan 0.000 0.409 39 A N -0.168 122.602 122.820 -0.083 0.000 1.933 39 A HA -0.144 4.176 4.320 0.000 0.000 0.218 39 A C 2.097 179.702 177.584 0.035 0.000 1.175 39 A CA 1.335 53.392 52.037 0.033 0.000 0.628 39 A CB -0.588 18.424 19.000 0.020 0.000 0.814 39 A HN 0.431 nan 8.150 nan 0.000 0.444 40 E N -0.098 120.126 120.200 0.040 0.000 2.130 40 E HA -0.168 4.182 4.350 0.000 0.000 0.196 40 E C 1.521 178.269 176.600 0.246 0.000 0.998 40 E CA 1.313 57.777 56.400 0.107 0.000 0.806 40 E CB -0.269 29.470 29.700 0.066 0.000 0.738 40 E HN 0.523 nan 8.360 nan 0.000 0.459 41 A N -0.477 122.504 122.820 0.269 0.000 2.833 41 A HA 0.437 4.757 4.320 0.000 0.000 0.293 41 A C 1.204 178.903 177.584 0.193 0.000 1.338 41 A CA 0.624 52.919 52.037 0.429 0.000 0.959 41 A CB -0.294 19.003 19.000 0.495 0.000 1.094 41 A HN 0.201 nan 8.150 nan 0.000 0.569 42 G N -1.215 107.480 108.800 -0.174 0.000 2.155 42 G HA2 -0.297 3.663 3.960 0.000 0.000 0.257 42 G HA3 -0.297 3.663 3.960 0.000 0.000 0.257 42 G C -0.004 174.644 174.900 -0.420 0.000 0.983 42 G CA 0.518 45.183 45.100 -0.726 0.000 0.676 42 G HN 0.392 nan 8.290 nan 0.000 0.528 43 F N -0.565 119.349 119.950 -0.060 0.000 2.370 43 F HA 0.821 5.348 4.527 -0.000 0.000 0.319 43 F C 0.810 176.571 175.800 -0.066 0.000 1.129 43 F CA -0.767 57.217 58.000 -0.028 0.000 1.109 43 F CB 1.151 40.147 39.000 -0.006 0.000 1.262 43 F HN 0.070 nan 8.300 nan 0.000 0.534 44 I N 0.102 120.736 120.570 0.107 0.000 2.894 44 I HA 0.246 4.416 4.170 0.000 0.000 0.302 44 I C -1.433 174.473 176.117 -0.351 0.000 1.188 44 I CA -0.814 60.317 61.300 -0.282 0.000 1.014 44 I CB 1.850 39.745 38.000 -0.174 0.000 1.242 44 I HN 0.436 nan 8.210 nan 0.000 0.430 45 H N 5.247 123.786 119.070 -0.885 0.000 2.604 45 H HA 0.428 4.984 4.556 -0.000 0.000 0.306 45 H C -0.884 174.332 175.328 -0.186 0.000 1.075 45 H CA -1.134 54.614 56.048 -0.499 0.000 1.357 45 H CB 0.842 30.242 29.762 -0.602 0.000 1.426 45 H HN 0.591 nan 8.280 nan 0.000 0.470 46 C N 7.072 126.391 119.300 0.032 0.000 3.188 46 C HA 0.455 4.915 4.460 0.000 0.000 0.230 46 C C -2.814 172.127 174.990 -0.083 0.000 1.239 46 C CA -2.071 56.911 59.018 -0.061 0.000 1.494 46 C CB -0.179 27.578 27.740 0.028 0.000 1.798 46 C HN 0.554 nan 8.230 nan 0.000 0.458 47 P HA 0.365 nan 4.420 nan 0.000 0.275 47 P C 0.383 177.637 177.300 -0.077 0.000 1.228 47 P CA 0.923 63.913 63.100 -0.184 0.000 0.786 47 P CB 1.560 33.065 31.700 -0.325 0.000 0.927 48 T N -0.912 113.630 114.554 -0.022 0.000 2.804 48 T HA 0.334 4.684 4.350 0.000 0.000 0.272 48 T C 1.081 175.773 174.700 -0.013 0.000 0.986 48 T CA -0.358 61.733 62.100 -0.013 0.000 0.999 48 T CB 0.723 69.594 68.868 0.005 0.000 1.307 48 T HN 0.135 nan 8.240 nan 0.000 0.586 49 E N 0.566 120.760 120.200 -0.009 0.000 2.046 49 E HA 0.040 4.390 4.350 0.000 0.000 0.190 49 E C 2.080 178.677 176.600 -0.005 0.000 0.982 49 E CA 1.153 57.547 56.400 -0.009 0.000 0.800 49 E CB -0.211 29.484 29.700 -0.008 0.000 0.756 49 E HN 0.540 nan 8.360 nan 0.000 0.449 50 N N 0.470 119.170 118.700 -0.000 0.000 2.376 50 N HA -0.043 4.697 4.740 0.000 0.000 0.177 50 N C -0.090 175.426 175.510 0.009 0.000 1.024 50 N CA 0.610 53.661 53.050 0.003 0.000 0.893 50 N CB 0.350 38.839 38.487 0.004 0.000 0.980 50 N HN 0.084 nan 8.380 nan 0.000 0.439 51 E N 0.841 121.052 120.200 0.019 0.000 2.546 51 E HA 0.212 4.562 4.350 0.000 0.000 0.227 51 E C -1.840 174.793 176.600 0.055 0.000 1.009 51 E CA -1.657 54.768 56.400 0.042 0.000 0.813 51 E CB 1.556 31.290 29.700 0.057 0.000 1.269 51 E HN 0.205 nan 8.360 nan 0.000 0.432 52 P HA -0.048 nan 4.420 nan 0.000 0.224 52 P C 0.699 178.085 177.300 0.143 0.000 1.157 52 P CA 0.677 63.805 63.100 0.047 0.000 0.799 52 P CB 0.347 32.041 31.700 -0.009 0.000 0.809 53 D N -0.767 119.695 120.400 0.103 0.000 2.325 53 D HA 0.014 4.654 4.640 0.000 0.000 0.225 53 D C 0.285 176.830 176.300 0.409 0.000 1.096 53 D CA -0.398 53.648 54.000 0.077 0.000 0.844 53 D CB -0.571 40.236 40.800 0.012 0.000 0.925 53 D HN 0.056 nan 8.370 nan 0.000 0.513 54 L N 1.473 122.941 121.223 0.409 0.000 2.418 54 L HA 0.435 4.775 4.340 0.000 0.000 0.274 54 L C -0.117 177.067 176.870 0.522 0.000 1.135 54 L CA -0.085 54.999 54.840 0.405 0.000 0.870 54 L CB 0.578 42.776 42.059 0.231 0.000 1.154 54 L HN 0.159 nan 8.230 nan 0.000 0.462 55 A N 5.344 128.480 122.820 0.526 0.000 2.350 55 A HA 0.771 5.091 4.320 0.000 0.000 0.318 55 A C -0.947 176.893 177.584 0.426 0.000 1.132 55 A CA -0.562 51.738 52.037 0.438 0.000 0.811 55 A CB 1.320 20.479 19.000 0.265 0.000 1.313 55 A HN 0.691 nan 8.150 nan 0.000 0.454 56 Q N 0.272 120.333 119.800 0.435 0.000 2.271 56 Q HA 0.424 4.764 4.340 0.000 0.000 0.268 56 Q C -1.195 174.903 176.000 0.163 0.000 1.021 56 Q CA -0.583 55.414 55.803 0.324 0.000 0.802 56 Q CB 1.912 30.756 28.738 0.177 0.000 1.282 56 Q HN 1.010 nan 8.270 nan 0.000 0.431 57 C N 5.132 124.344 119.300 -0.147 0.000 2.648 57 C HA 0.174 4.635 4.460 0.000 0.000 0.419 57 C C 1.665 176.414 174.990 -0.401 0.000 1.352 57 C CA -0.203 58.506 59.018 -0.514 0.000 1.816 57 C CB -0.937 26.432 27.740 -0.619 0.000 2.598 57 C HN 0.944 nan 8.230 nan 0.000 0.598 58 F N 4.222 123.819 119.950 -0.588 0.000 2.367 58 F HA 0.126 4.653 4.527 0.000 0.000 0.298 58 F C 1.366 176.599 175.800 -0.945 0.000 1.094 58 F CA 0.842 58.439 58.000 -0.672 0.000 1.409 58 F CB -0.938 37.754 39.000 -0.514 0.000 1.064 58 F HN 0.560 nan 8.300 nan 0.000 0.528 59 F N 1.369 120.195 119.950 -1.873 0.000 2.274 59 F HA 0.029 4.556 4.527 -0.000 0.000 0.288 59 F C 2.422 177.760 175.800 -0.770 0.000 1.069 59 F CA 1.052 58.123 58.000 -1.549 0.000 1.343 59 F CB -0.482 37.609 39.000 -1.514 0.000 1.089 59 F HN 0.213 nan 8.300 nan 0.000 0.517 60 C N -2.213 116.833 119.300 -0.423 0.000 2.780 60 C HA 0.316 4.776 4.460 0.000 0.000 0.267 60 C C 1.230 176.255 174.990 0.059 0.000 1.266 60 C CA -0.448 58.511 59.018 -0.097 0.000 1.709 60 C CB -1.725 26.064 27.740 0.081 0.000 1.975 60 C HN 0.524 nan 8.230 nan 0.000 0.582 61 F N -0.405 119.471 119.950 -0.123 0.000 2.884 61 F HA -0.143 4.384 4.527 -0.000 0.000 0.294 61 F C 0.672 176.467 175.800 -0.008 0.000 0.723 61 F CA 0.998 58.961 58.000 -0.062 0.000 1.294 61 F CB -1.934 37.029 39.000 -0.061 0.000 1.551 61 F HN 0.287 nan 8.300 nan 0.000 0.363 62 K N 2.110 122.565 120.400 0.093 0.000 2.322 62 K HA 0.364 4.684 4.320 0.000 0.000 0.283 62 K C -0.016 176.680 176.600 0.159 0.000 1.042 62 K CA 0.194 56.550 56.287 0.116 0.000 0.958 62 K CB 0.561 33.122 32.500 0.101 0.000 0.984 62 K HN 0.265 nan 8.250 nan 0.000 0.473 63 E N 4.000 124.291 120.200 0.151 0.000 2.151 63 E HA 0.357 4.707 4.350 0.000 0.000 0.275 63 E C -0.793 175.877 176.600 0.117 0.000 0.936 63 E CA -0.569 55.934 56.400 0.173 0.000 0.777 63 E CB 1.101 30.881 29.700 0.134 0.000 1.108 63 E HN 0.398 nan 8.360 nan 0.000 0.401 64 L N 2.967 124.300 121.223 0.182 0.000 2.370 64 L HA 0.531 4.871 4.340 0.000 0.000 0.266 64 L C 0.112 177.034 176.870 0.087 0.000 1.002 64 L CA -0.749 54.094 54.840 0.006 0.000 0.818 64 L CB 1.713 43.717 42.059 -0.092 0.000 1.325 64 L HN 0.622 nan 8.230 nan 0.000 0.418 65 E N 0.328 120.406 120.200 -0.203 0.000 2.442 65 E HA 0.516 4.866 4.350 0.000 0.000 0.261 65 E C 0.154 176.504 176.600 -0.417 0.000 0.935 65 E CA -0.597 55.725 56.400 -0.130 0.000 0.856 65 E CB 1.887 31.576 29.700 -0.019 0.000 1.571 65 E HN 0.655 nan 8.360 nan 0.000 0.431 66 G N 0.335 109.028 108.800 -0.177 0.000 2.246 66 G HA2 -0.262 3.698 3.960 0.000 0.000 0.273 66 G HA3 -0.262 3.698 3.960 0.000 0.000 0.273 66 G C -0.771 174.019 174.900 -0.184 0.000 1.055 66 G CA 0.255 45.260 45.100 -0.159 0.000 0.851 66 G HN 0.366 nan 8.290 nan 0.000 0.500 67 W N 0.487 121.816 121.300 0.049 0.000 2.238 67 W HA 0.561 5.222 4.660 0.000 0.000 0.321 67 W C 0.891 177.436 176.519 0.044 0.000 1.293 67 W CA -0.392 56.998 57.345 0.075 0.000 1.204 67 W CB 0.670 30.245 29.460 0.192 0.000 1.167 67 W HN 0.194 nan 8.180 nan 0.000 0.553 68 E N 3.988 124.234 120.200 0.077 0.000 2.299 68 E HA 0.179 4.529 4.350 0.000 0.000 0.265 68 E C -1.769 174.403 176.600 -0.713 0.000 0.911 68 E CA -1.838 54.370 56.400 -0.320 0.000 0.789 68 E CB 2.062 31.678 29.700 -0.139 0.000 1.246 68 E HN 0.106 nan 8.360 nan 0.000 0.427 69 P HA -0.135 nan 4.420 nan 0.000 0.226 69 P C 0.351 177.465 177.300 -0.310 0.000 1.153 69 P CA 1.226 63.813 63.100 -0.855 0.000 0.777 69 P CB 0.110 31.491 31.700 -0.532 0.000 0.794 70 D N -1.954 118.324 120.400 -0.203 0.000 2.349 70 D HA -0.006 4.634 4.640 0.000 0.000 0.214 70 D C -0.097 176.187 176.300 -0.027 0.000 1.063 70 D CA -0.217 53.731 54.000 -0.085 0.000 0.847 70 D CB -0.768 39.995 40.800 -0.061 0.000 0.933 70 D HN -0.043 nan 8.370 nan 0.000 0.513 71 D N 1.073 121.474 120.400 0.001 0.000 2.424 71 D HA 0.134 4.774 4.640 0.000 0.000 0.244 71 D C -0.453 175.929 176.300 0.137 0.000 1.134 71 D CA 0.139 54.213 54.000 0.123 0.000 0.881 71 D CB 0.818 41.813 40.800 0.324 0.000 1.191 71 D HN 0.100 nan 8.370 nan 0.000 0.445 72 D N 2.192 122.683 120.400 0.150 0.000 2.396 72 D HA 0.195 4.835 4.640 0.000 0.000 0.225 72 D C -1.851 174.593 176.300 0.239 0.000 1.121 72 D CA -2.224 51.863 54.000 0.145 0.000 0.853 72 D CB 1.453 42.320 40.800 0.111 0.000 1.043 72 D HN -0.063 nan 8.370 nan 0.000 0.500 73 P HA -0.180 nan 4.420 nan 0.000 0.215 73 P C 1.733 179.321 177.300 0.481 0.000 1.157 73 P CA 0.678 63.962 63.100 0.306 0.000 0.874 73 P CB 0.234 32.004 31.700 0.117 0.000 0.790 74 I N -0.230 120.553 120.570 0.354 0.000 2.194 74 I HA -0.254 3.916 4.170 0.000 0.000 0.246 74 I C 2.343 178.647 176.117 0.311 0.000 1.093 74 I CA 1.829 63.324 61.300 0.326 0.000 1.355 74 I CB -1.165 36.946 38.000 0.185 0.000 1.046 74 I HN 0.170 nan 8.210 nan 0.000 0.413 75 E N 0.582 120.933 120.200 0.251 0.000 2.046 75 E HA -0.187 4.163 4.350 0.000 0.000 0.190 75 E C 1.833 178.581 176.600 0.247 0.000 0.982 75 E CA 0.660 57.181 56.400 0.201 0.000 0.800 75 E CB 0.137 29.920 29.700 0.139 0.000 0.756 75 E HN 0.346 nan 8.360 nan 0.000 0.449 76 E N -0.404 119.979 120.200 0.306 0.000 2.463 76 E HA -0.175 4.175 4.350 0.000 0.000 0.201 76 E C 1.497 178.386 176.600 0.482 0.000 1.045 76 E CA 0.680 57.280 56.400 0.332 0.000 0.872 76 E CB -0.093 29.764 29.700 0.261 0.000 0.797 76 E HN 0.490 nan 8.360 nan 0.000 0.538 77 H N 0.300 119.622 119.070 0.421 0.000 2.399 77 H HA 0.070 4.626 4.556 -0.000 0.000 0.300 77 H C 1.847 177.327 175.328 0.254 0.000 1.048 77 H CA 0.624 56.923 56.048 0.418 0.000 1.370 77 H CB 0.491 30.503 29.762 0.417 0.000 1.428 77 H HN -0.055 nan 8.280 nan 0.000 0.534 78 K N 0.727 121.327 120.400 0.333 0.000 2.103 78 K HA -0.139 4.181 4.320 0.000 0.000 0.207 78 K C 1.992 178.675 176.600 0.139 0.000 1.048 78 K CA 1.188 57.583 56.287 0.180 0.000 0.930 78 K CB 0.109 32.677 32.500 0.114 0.000 0.716 78 K HN 0.233 nan 8.250 nan 0.000 0.444 79 K N 0.311 120.781 120.400 0.117 0.000 1.964 79 K HA -0.102 4.218 4.320 0.000 0.000 0.218 79 K C 2.021 178.595 176.600 -0.043 0.000 1.043 79 K CA 1.380 57.641 56.287 -0.043 0.000 0.966 79 K CB -0.225 32.151 32.500 -0.208 0.000 0.739 79 K HN 0.316 nan 8.250 nan 0.000 0.443 80 H N -1.001 118.145 119.070 0.128 0.000 2.546 80 H HA 0.042 4.598 4.556 0.000 0.000 0.277 80 H C 0.465 175.874 175.328 0.134 0.000 1.004 80 H CA 0.656 56.769 56.048 0.108 0.000 1.231 80 H CB 0.502 30.317 29.762 0.088 0.000 1.382 80 H HN 0.023 nan 8.280 nan 0.000 0.580 81 S N 0.379 116.249 115.700 0.283 0.000 2.606 81 S HA 0.083 4.553 4.470 0.000 0.000 0.156 81 S C 1.186 175.920 174.600 0.223 0.000 1.308 81 S CA -0.108 58.248 58.200 0.259 0.000 1.228 81 S CB -0.096 63.293 63.200 0.314 0.000 1.568 81 S HN 0.411 nan 8.310 nan 0.000 0.397 82 S N 0.548 116.336 115.700 0.146 0.000 2.402 82 S HA -0.001 4.469 4.470 0.000 0.000 0.229 82 S C 1.942 176.593 174.600 0.085 0.000 1.021 82 S CA 1.196 59.457 58.200 0.102 0.000 0.974 82 S CB -0.637 62.603 63.200 0.067 0.000 0.800 82 S HN 0.662 nan 8.310 nan 0.000 0.484 83 G N 0.477 109.333 108.800 0.093 0.000 2.534 83 G HA2 -0.051 3.909 3.960 0.000 0.000 0.217 83 G HA3 -0.051 3.909 3.960 0.000 0.000 0.217 83 G C 0.660 175.622 174.900 0.104 0.000 1.128 83 G CA 0.359 45.508 45.100 0.083 0.000 0.784 83 G HN 0.675 nan 8.290 nan 0.000 0.542 84 C N 2.186 121.566 119.300 0.133 0.000 2.519 84 C HA 0.444 4.904 4.460 0.000 0.000 0.402 84 C C 2.242 177.332 174.990 0.168 0.000 1.475 84 C CA -0.188 58.942 59.018 0.186 0.000 1.504 84 C CB -0.354 27.514 27.740 0.213 0.000 2.454 84 C HN 0.507 nan 8.230 nan 0.000 0.615 85 A N 5.088 128.068 122.820 0.267 0.000 2.121 85 A HA -0.051 4.269 4.320 0.000 0.000 0.218 85 A C 1.664 179.222 177.584 -0.043 0.000 1.154 85 A CA 1.194 53.326 52.037 0.158 0.000 0.679 85 A CB -0.637 18.536 19.000 0.288 0.000 0.795 85 A HN 1.131 nan 8.150 nan 0.000 0.458 86 F N -0.041 119.743 119.950 -0.277 0.000 2.307 86 F HA -0.095 4.432 4.527 -0.000 0.000 0.301 86 F C 1.181 176.889 175.800 -0.154 0.000 1.076 86 F CA 1.166 58.945 58.000 -0.368 0.000 1.383 86 F CB 0.011 38.740 39.000 -0.452 0.000 1.055 86 F HN 0.140 nan 8.300 nan 0.000 0.526 87 L N -0.475 120.625 121.223 -0.204 0.000 2.567 87 L HA 0.086 4.426 4.340 0.000 0.000 0.225 87 L C 2.119 178.877 176.870 -0.187 0.000 1.119 87 L CA 0.775 55.467 54.840 -0.247 0.000 0.871 87 L CB -0.789 41.178 42.059 -0.153 0.000 1.036 87 L HN -0.001 nan 8.230 nan 0.000 0.459 88 S N -0.830 114.779 115.700 -0.151 0.000 2.470 88 S HA 0.034 4.504 4.470 0.000 0.000 0.225 88 S C 0.885 175.391 174.600 -0.156 0.000 1.006 88 S CA 0.181 58.311 58.200 -0.117 0.000 0.934 88 S CB -0.334 62.823 63.200 -0.072 0.000 0.778 88 S HN 0.267 nan 8.310 nan 0.000 0.517 89 V N 1.305 121.083 119.914 -0.227 0.000 2.446 89 V HA 0.339 4.459 4.120 0.000 0.000 0.276 89 V C 0.615 176.591 176.094 -0.197 0.000 1.030 89 V CA -0.279 61.877 62.300 -0.240 0.000 1.033 89 V CB 0.768 32.410 31.823 -0.302 0.000 0.993 89 V HN 0.086 nan 8.190 nan 0.000 0.477 90 K N 3.639 123.949 120.400 -0.150 0.000 2.166 90 K HA 0.125 4.445 4.320 0.000 0.000 0.201 90 K C 0.865 177.409 176.600 -0.094 0.000 1.052 90 K CA 0.837 57.059 56.287 -0.110 0.000 0.969 90 K CB 0.159 32.608 32.500 -0.085 0.000 0.761 90 K HN 0.902 nan 8.250 nan 0.000 0.459 91 K N 0.799 121.137 120.400 -0.102 0.000 2.098 91 K HA 0.215 4.535 4.320 0.000 0.000 0.258 91 K C -0.278 176.284 176.600 -0.063 0.000 0.973 91 K CA -0.868 55.375 56.287 -0.075 0.000 0.898 91 K CB 1.330 33.785 32.500 -0.075 0.000 1.057 91 K HN -0.317 nan 8.250 nan 0.000 0.447 92 Q N 0.772 120.572 119.800 0.000 0.000 2.382 92 Q HA 0.100 4.440 4.340 0.000 0.000 0.229 92 Q C 0.123 176.211 176.000 0.148 0.000 1.006 92 Q CA 0.001 55.865 55.803 0.103 0.000 0.916 92 Q CB 0.394 29.196 28.738 0.107 0.000 1.235 92 Q HN 0.694 nan 8.270 nan 0.000 0.512 93 F N 0.570 120.551 119.950 0.052 0.000 2.269 93 F HA -0.133 4.393 4.527 -0.000 0.000 0.301 93 F C 1.742 177.586 175.800 0.073 0.000 1.082 93 F CA 1.331 59.396 58.000 0.108 0.000 1.360 93 F CB 0.002 39.139 39.000 0.228 0.000 1.041 93 F HN 0.710 nan 8.300 nan 0.000 0.512 94 E N 0.021 120.339 120.200 0.198 0.000 2.187 94 E HA -0.262 4.088 4.350 0.000 0.000 0.199 94 E C 1.418 178.034 176.600 0.028 0.000 1.004 94 E CA 1.752 58.207 56.400 0.093 0.000 0.813 94 E CB -0.231 29.509 29.700 0.067 0.000 0.736 94 E HN 0.575 nan 8.360 nan 0.000 0.468 95 E N 0.040 120.244 120.200 0.007 0.000 2.474 95 E HA 0.107 4.457 4.350 0.000 0.000 0.195 95 E C 0.034 176.598 176.600 -0.059 0.000 1.039 95 E CA -0.225 56.159 56.400 -0.028 0.000 0.881 95 E CB 0.284 29.967 29.700 -0.028 0.000 0.970 95 E HN 0.140 nan 8.360 nan 0.000 0.486 96 L N 2.430 123.605 121.223 -0.080 0.000 2.453 96 L HA 0.069 4.409 4.340 0.000 0.000 0.272 96 L C 0.986 177.816 176.870 -0.066 0.000 1.182 96 L CA -0.266 54.513 54.840 -0.102 0.000 0.858 96 L CB 0.442 42.421 42.059 -0.133 0.000 1.120 96 L HN 0.114 nan 8.230 nan 0.000 0.474 97 T N 0.464 114.986 114.554 -0.053 0.000 2.898 97 T HA 0.082 4.432 4.350 0.000 0.000 0.301 97 T C 1.060 175.754 174.700 -0.010 0.000 1.049 97 T CA -0.685 61.393 62.100 -0.036 0.000 1.095 97 T CB 0.994 69.844 68.868 -0.029 0.000 0.976 97 T HN 0.519 nan 8.240 nan 0.000 0.539 98 L N 3.454 124.666 121.223 -0.019 0.000 2.051 98 L HA 0.062 4.402 4.340 0.000 0.000 0.214 98 L C 2.480 179.400 176.870 0.084 0.000 1.076 98 L CA 2.762 57.611 54.840 0.015 0.000 0.758 98 L CB -1.333 40.721 42.059 -0.007 0.000 0.890 98 L HN 0.987 nan 8.230 nan 0.000 0.433 99 G N -1.188 107.634 108.800 0.038 0.000 2.480 99 G HA2 -0.276 3.684 3.960 0.000 0.000 0.216 99 G HA3 -0.276 3.684 3.960 0.000 0.000 0.216 99 G C 1.367 176.279 174.900 0.020 0.000 1.200 99 G CA 0.809 45.926 45.100 0.028 0.000 0.782 99 G HN 0.572 nan 8.290 nan 0.000 0.554 100 E N -0.255 119.947 120.200 0.004 0.000 2.130 100 E HA -0.208 4.142 4.350 0.000 0.000 0.196 100 E C 2.113 178.702 176.600 -0.019 0.000 0.998 100 E CA 1.243 57.627 56.400 -0.026 0.000 0.806 100 E CB -0.290 29.375 29.700 -0.058 0.000 0.738 100 E HN 0.550 nan 8.360 nan 0.000 0.459 101 F N 1.348 121.218 119.950 -0.134 0.000 2.113 101 F HA -0.112 4.416 4.527 0.001 0.000 0.297 101 F C 1.992 177.723 175.800 -0.116 0.000 1.103 101 F CA 1.027 58.930 58.000 -0.161 0.000 1.248 101 F CB -0.154 38.686 39.000 -0.266 0.000 0.999 101 F HN -0.124 nan 8.300 nan 0.000 0.475 102 L N 0.556 121.675 121.223 -0.174 0.000 2.079 102 L HA -0.246 4.095 4.340 0.000 0.000 0.210 102 L C 2.428 179.180 176.870 -0.197 0.000 1.081 102 L CA 1.670 56.364 54.840 -0.243 0.000 0.752 102 L CB -0.650 41.411 42.059 0.002 0.000 0.896 102 L HN 0.112 nan 8.230 nan 0.000 0.433 103 K N -0.271 120.066 120.400 -0.106 0.000 2.147 103 K HA -0.136 4.184 4.320 0.000 0.000 0.205 103 K C 1.995 178.589 176.600 -0.010 0.000 1.049 103 K CA 1.119 57.380 56.287 -0.044 0.000 0.936 103 K CB -0.051 32.436 32.500 -0.021 0.000 0.722 103 K HN 0.280 nan 8.250 nan 0.000 0.446 104 L N 0.044 121.248 121.223 -0.031 0.000 2.162 104 L HA -0.091 4.249 4.340 0.000 0.000 0.205 104 L C 2.071 179.123 176.870 0.303 0.000 1.086 104 L CA 0.927 55.893 54.840 0.211 0.000 0.778 104 L CB -0.403 41.785 42.059 0.214 0.000 0.928 104 L HN 0.165 nan 8.230 nan 0.000 0.446 105 D N 0.477 120.827 120.400 -0.084 0.000 2.144 105 D HA -0.213 4.427 4.640 0.000 0.000 0.199 105 D C 2.301 178.626 176.300 0.042 0.000 0.984 105 D CA 0.882 54.873 54.000 -0.015 0.000 0.834 105 D CB 0.051 40.565 40.800 -0.476 0.000 0.955 105 D HN 0.009 nan 8.370 nan 0.000 0.465 106 R N 0.709 121.198 120.500 -0.018 0.000 2.115 106 R HA -0.230 4.110 4.340 0.000 0.000 0.239 106 R C 1.953 178.265 176.300 0.021 0.000 1.133 106 R CA 1.934 58.044 56.100 0.017 0.000 0.935 106 R CB -0.632 29.671 30.300 0.006 0.000 0.853 106 R HN 0.114 nan 8.270 nan 0.000 0.433 107 E N 0.384 120.608 120.200 0.040 0.000 2.058 107 E HA -0.165 4.185 4.350 0.000 0.000 0.194 107 E C 2.180 178.691 176.600 -0.149 0.000 0.997 107 E CA 1.527 57.931 56.400 0.006 0.000 0.801 107 E CB -0.277 29.492 29.700 0.116 0.000 0.746 107 E HN 0.297 nan 8.360 nan 0.000 0.450 108 R N -0.215 120.095 120.500 -0.316 0.000 2.113 108 R HA -0.229 4.111 4.340 0.000 0.000 0.244 108 R C 2.118 178.363 176.300 -0.092 0.000 1.142 108 R CA 1.647 57.446 56.100 -0.502 0.000 0.953 108 R CB -0.385 29.687 30.300 -0.380 0.000 0.860 108 R HN 0.238 nan 8.270 nan 0.000 0.438 109 A N 1.088 123.911 122.820 0.005 0.000 1.902 109 A HA -0.173 4.147 4.320 0.000 0.000 0.217 109 A C 2.009 179.582 177.584 -0.019 0.000 1.181 109 A CA 1.622 53.683 52.037 0.040 0.000 0.623 109 A CB -0.354 18.689 19.000 0.070 0.000 0.818 109 A HN 0.354 nan 8.150 nan 0.000 0.443 110 K N -0.337 120.045 120.400 -0.030 0.000 2.152 110 K HA -0.154 4.166 4.320 0.000 0.000 0.206 110 K C 1.579 178.142 176.600 -0.062 0.000 1.048 110 K CA 1.453 57.717 56.287 -0.039 0.000 0.933 110 K CB -0.228 32.257 32.500 -0.024 0.000 0.721 110 K HN 0.422 nan 8.250 nan 0.000 0.447 111 N N 1.059 119.715 118.700 -0.073 0.000 2.244 111 N HA -0.148 4.592 4.740 0.000 0.000 0.183 111 N C 1.497 176.910 175.510 -0.162 0.000 1.016 111 N CA 1.027 54.047 53.050 -0.049 0.000 0.866 111 N CB -0.064 38.413 38.487 -0.018 0.000 0.980 111 N HN 0.190 nan 8.380 nan 0.000 0.430 112 K N 0.762 120.995 120.400 -0.279 0.000 2.148 112 K HA -0.004 4.316 4.320 0.000 0.000 0.204 112 K C 1.514 177.916 176.600 -0.331 0.000 1.050 112 K CA 0.758 56.685 56.287 -0.599 0.000 0.942 112 K CB 0.098 32.334 32.500 -0.439 0.000 0.724 112 K HN 0.018 nan 8.250 nan 0.000 0.446 113 I N 1.115 121.576 120.570 -0.181 0.000 2.252 113 I HA -0.152 4.018 4.170 0.000 0.000 0.245 113 I C 2.510 178.563 176.117 -0.106 0.000 1.102 113 I CA 1.318 62.548 61.300 -0.117 0.000 1.385 113 I CB -1.561 36.398 38.000 -0.069 0.000 1.064 113 I HN 0.175 nan 8.210 nan 0.000 0.414 114 A N 1.054 123.816 122.820 -0.097 0.000 1.972 114 A HA -0.245 4.075 4.320 0.000 0.000 0.219 114 A C 2.370 179.909 177.584 -0.076 0.000 1.169 114 A CA 2.056 54.054 52.037 -0.064 0.000 0.635 114 A CB -0.438 18.540 19.000 -0.036 0.000 0.810 114 A HN 0.333 nan 8.150 nan 0.000 0.446 115 K N 0.278 120.595 120.400 -0.138 0.000 2.098 115 K HA 0.007 4.327 4.320 0.000 0.000 0.203 115 K C 1.109 177.641 176.600 -0.115 0.000 1.051 115 K CA 1.244 57.454 56.287 -0.128 0.000 0.957 115 K CB -0.073 32.296 32.500 -0.219 0.000 0.738 115 K HN 0.479 nan 8.250 nan 0.000 0.447 116 E N 0.178 120.290 120.200 -0.148 0.000 2.303 116 E HA 0.055 4.405 4.350 0.000 0.000 0.211 116 E C -0.703 175.856 176.600 -0.070 0.000 1.223 116 E CA 0.205 56.542 56.400 -0.105 0.000 1.344 116 E CB 0.271 29.898 29.700 -0.121 0.000 1.299 116 E HN 0.240 nan 8.360 nan 0.000 0.441 117 T N -1.691 112.829 114.554 -0.056 0.000 3.941 117 T HA 0.092 4.442 4.350 0.000 0.000 0.320 117 T C 0.440 175.125 174.700 -0.026 0.000 0.912 117 T CA -0.430 61.648 62.100 -0.036 0.000 0.989 117 T CB -0.065 68.782 68.868 -0.035 0.000 1.177 117 T HN -0.001 nan 8.240 nan 0.000 0.507 118 N N 1.270 119.954 118.700 -0.025 0.000 2.460 118 N HA 0.257 4.997 4.740 0.000 0.000 0.193 118 N C 0.523 176.030 175.510 -0.005 0.000 1.080 118 N CA 0.110 53.153 53.050 -0.011 0.000 0.869 118 N CB 0.335 38.818 38.487 -0.007 0.000 1.201 118 N HN 0.373 nan 8.380 nan 0.000 0.457 119 N N 0.000 118.694 118.700 -0.010 0.000 1.763 119 N HA 0.000 4.740 4.740 0.000 0.000 0.220 119 N CA 0.000 53.047 53.050 -0.004 0.000 0.885 119 N CB 0.000 38.482 38.487 -0.009 0.000 1.341 119 N HN 0.000 nan 8.380 nan 0.000 0.667