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 1bea_1_A DATA FIRST_RESID 5 DATA SEQUENCE ScVPGWAIPH NPLPScRWYV TSRTcGIGPR LPWPELKRRc cRELADIPAY DATA SEQUENCE cRcTALSILM DGAIPPGPDA QLEGRLEDLP GcPREVQRGF AATLVTEAEc DATA SEQUENCE NLATISGVAE cPWILG 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 S HA 0.000 nan 4.470 nan 0.000 0.327 5 S C 0.000 174.723 174.600 0.205 0.000 1.055 5 S CA 0.000 58.273 58.200 0.121 0.000 1.107 5 S CB 0.000 63.256 63.200 0.094 0.000 0.593 6 c N 4.198 122.917 118.600 0.198 0.000 2.861 6 c HA 0.734 5.289 4.570 -0.026 0.000 0.542 6 c C 0.376 174.549 174.090 0.139 0.000 1.074 6 c CA -0.119 56.303 56.329 0.154 0.000 1.232 6 c CB -1.776 40.824 42.510 0.150 0.000 1.433 6 c HN 0.541 nan 8.230 nan 0.000 0.606 7 V N -1.014 119.007 119.914 0.177 0.000 2.789 7 V HA 0.671 4.775 4.120 -0.026 0.000 0.311 7 V C -3.058 173.047 176.094 0.019 0.000 1.073 7 V CA -2.950 59.411 62.300 0.103 0.000 0.921 7 V CB 1.720 33.622 31.823 0.132 0.000 1.009 7 V HN 0.106 nan 8.190 nan 0.000 0.426 8 P HA 0.369 nan 4.420 nan 0.000 0.264 8 P C 1.023 177.980 177.300 -0.571 0.000 1.183 8 P CA 1.999 64.905 63.100 -0.322 0.000 0.763 8 P CB 0.845 32.361 31.700 -0.307 0.000 0.807 9 G N 1.356 109.819 108.800 -0.563 0.000 3.400 9 G HA2 -0.257 3.688 3.960 -0.026 0.000 0.209 9 G HA3 -0.257 3.688 3.960 -0.026 0.000 0.209 9 G C 0.887 175.944 174.900 0.262 0.000 1.411 9 G CA -0.044 44.881 45.100 -0.292 0.000 0.917 9 G HN 0.478 nan 8.290 nan 0.000 0.570 10 W N 0.726 121.966 121.300 -0.099 0.000 1.813 10 W HA 0.337 4.981 4.660 -0.026 0.000 0.283 10 W C 2.894 179.395 176.519 -0.030 0.000 0.901 10 W CA 0.733 58.056 57.345 -0.036 0.000 1.032 10 W CB -0.524 28.921 29.460 -0.026 0.000 1.137 10 W HN 0.490 nan 8.180 nan 0.000 0.494 11 A N -0.277 122.654 122.820 0.185 0.000 2.123 11 A HA 0.164 4.469 4.320 -0.026 0.000 0.214 11 A C 0.560 178.155 177.584 0.018 0.000 1.152 11 A CA 0.643 52.723 52.037 0.071 0.000 0.728 11 A CB -0.506 18.537 19.000 0.071 0.000 0.814 11 A HN 0.226 nan 8.150 nan 0.000 0.464 12 I N 0.439 121.027 120.570 0.030 0.000 2.474 12 I HA 0.313 4.468 4.170 -0.026 0.000 0.294 12 I C -2.587 173.505 176.117 -0.042 0.000 1.005 12 I CA -2.682 58.608 61.300 -0.018 0.000 1.113 12 I CB 2.247 40.234 38.000 -0.021 0.000 1.289 12 I HN -0.068 nan 8.210 nan 0.000 0.436 13 P HA 0.061 nan 4.420 nan 0.000 0.270 13 P C -0.866 176.398 177.300 -0.060 0.000 1.223 13 P CA 0.008 63.095 63.100 -0.022 0.000 0.785 13 P CB 0.319 32.023 31.700 0.008 0.000 0.923 14 H N 1.199 120.275 119.070 0.009 0.000 2.690 14 H HA 0.140 4.681 4.556 -0.024 0.000 0.365 14 H C 0.482 175.801 175.328 -0.015 0.000 1.142 14 H CA 0.569 56.610 56.048 -0.011 0.000 1.417 14 H CB -0.082 29.670 29.762 -0.016 0.000 1.446 14 H HN 0.368 nan 8.280 nan 0.000 0.599 15 N N 1.987 120.754 118.700 0.112 0.000 2.629 15 N HA -0.138 4.587 4.740 -0.026 0.000 0.278 15 N C -2.629 172.885 175.510 0.006 0.000 1.102 15 N CA 0.208 53.281 53.050 0.038 0.000 0.759 15 N CB -0.701 37.808 38.487 0.036 0.000 0.911 15 N HN 0.472 nan 8.380 nan 0.000 0.553 16 P HA 0.186 nan 4.420 nan 0.000 0.276 16 P C 0.652 177.925 177.300 -0.045 0.000 1.244 16 P CA -0.449 62.635 63.100 -0.026 0.000 0.801 16 P CB 0.647 32.328 31.700 -0.032 0.000 1.006 17 L N -1.111 120.090 121.223 -0.037 0.000 3.762 17 L HA -0.196 4.129 4.340 -0.026 0.000 0.460 17 L C -1.272 175.556 176.870 -0.071 0.000 1.255 17 L CA -0.456 54.360 54.840 -0.040 0.000 0.783 17 L CB -1.956 40.077 42.059 -0.043 0.000 1.600 17 L HN 0.320 nan 8.230 nan 0.000 0.862 18 P HA -0.149 nan 4.420 nan 0.000 0.216 18 P C 1.565 178.770 177.300 -0.158 0.000 1.150 18 P CA 1.560 64.580 63.100 -0.134 0.000 0.843 18 P CB 0.228 31.906 31.700 -0.036 0.000 0.787 19 S N -1.713 113.983 115.700 -0.007 0.000 2.436 19 S HA -0.086 4.368 4.470 -0.026 0.000 0.228 19 S C 1.912 176.583 174.600 0.119 0.000 1.014 19 S CA 0.814 59.073 58.200 0.099 0.000 0.950 19 S CB -1.033 62.228 63.200 0.101 0.000 0.784 19 S HN 0.234 nan 8.310 nan 0.000 0.504 20 c N 1.111 119.746 118.600 0.057 0.000 2.457 20 c HA 0.086 4.640 4.570 -0.026 0.000 0.278 20 c C 2.710 176.842 174.090 0.069 0.000 1.309 20 c CA 0.243 56.648 56.329 0.125 0.000 1.735 20 c CB -1.057 41.484 42.510 0.051 0.000 1.992 20 c HN 0.593 nan 8.230 nan 0.000 0.493 21 R N -0.081 120.346 120.500 -0.121 0.000 2.112 21 R HA -0.226 4.099 4.340 -0.026 0.000 0.242 21 R C 2.109 178.321 176.300 -0.147 0.000 1.137 21 R CA 2.355 58.292 56.100 -0.272 0.000 0.944 21 R CB -0.421 29.498 30.300 -0.635 0.000 0.857 21 R HN 0.731 nan 8.270 nan 0.000 0.435 22 W N -0.959 120.404 121.300 0.105 0.000 2.402 22 W HA -0.189 4.456 4.660 -0.024 0.000 0.286 22 W C 2.129 178.754 176.519 0.177 0.000 1.221 22 W CA 0.030 57.435 57.345 0.100 0.000 1.257 22 W CB -0.319 29.176 29.460 0.059 0.000 1.120 22 W HN 0.248 nan 8.180 nan 0.000 0.551 23 Y N 0.853 121.336 120.300 0.305 0.000 2.200 23 Y HA -0.199 4.335 4.550 -0.026 0.000 0.290 23 Y C 2.110 178.242 175.900 0.388 0.000 1.137 23 Y CA 1.239 59.520 58.100 0.301 0.000 1.163 23 Y CB -0.968 37.651 38.460 0.266 0.000 0.988 23 Y HN -0.228 nan 8.280 nan 0.000 0.518 24 V N 0.322 120.382 119.914 0.243 0.000 2.358 24 V HA -0.281 3.823 4.120 -0.026 0.000 0.246 24 V C 2.509 178.715 176.094 0.186 0.000 1.047 24 V CA 2.554 64.993 62.300 0.232 0.000 1.035 24 V CB -1.264 30.661 31.823 0.170 0.000 0.658 24 V HN 0.663 nan 8.190 nan 0.000 0.452 25 T N -3.462 111.224 114.554 0.220 0.000 2.995 25 T HA -0.101 4.233 4.350 -0.026 0.000 0.269 25 T C 1.971 176.792 174.700 0.202 0.000 1.091 25 T CA 1.351 63.578 62.100 0.211 0.000 1.128 25 T CB -0.187 68.862 68.868 0.302 0.000 0.891 25 T HN 0.353 nan 8.240 nan 0.000 0.492 26 S N 1.473 117.321 115.700 0.246 0.000 2.348 26 S HA -0.060 4.395 4.470 -0.026 0.000 0.221 26 S C 2.141 176.993 174.600 0.420 0.000 1.033 26 S CA 1.422 59.766 58.200 0.238 0.000 1.010 26 S CB -0.339 62.928 63.200 0.112 0.000 0.891 26 S HN 0.606 nan 8.310 nan 0.000 0.442 27 R N 0.576 121.274 120.500 0.331 0.000 2.062 27 R HA -0.102 4.222 4.340 -0.026 0.000 0.231 27 R C 2.595 178.829 176.300 -0.110 0.000 1.136 27 R CA 2.017 58.106 56.100 -0.017 0.000 0.948 27 R CB -0.619 29.349 30.300 -0.553 0.000 0.845 27 R HN 0.585 nan 8.270 nan 0.000 0.430 28 T N -2.687 111.810 114.554 -0.096 0.000 2.937 28 T HA -0.040 4.294 4.350 -0.026 0.000 0.260 28 T C 2.009 176.715 174.700 0.009 0.000 1.051 28 T CA 1.001 63.069 62.100 -0.055 0.000 1.141 28 T CB -0.292 68.569 68.868 -0.013 0.000 0.879 28 T HN 0.372 nan 8.240 nan 0.000 0.459 29 c N 0.761 119.393 118.600 0.053 0.000 2.865 29 c HA 0.680 5.234 4.570 -0.026 0.000 0.280 29 c C 2.259 176.391 174.090 0.071 0.000 1.255 29 c CA -0.431 55.935 56.329 0.062 0.000 1.705 29 c CB -0.673 41.885 42.510 0.081 0.000 2.080 29 c HN 0.886 nan 8.230 nan 0.000 0.591 30 G N 1.559 110.420 108.800 0.103 0.000 2.143 30 G HA2 -0.243 3.701 3.960 -0.026 0.000 0.249 30 G HA3 -0.243 3.701 3.960 -0.026 0.000 0.249 30 G C -0.177 174.767 174.900 0.074 0.000 0.981 30 G CA 0.597 45.764 45.100 0.113 0.000 0.665 30 G HN 0.810 nan 8.290 nan 0.000 0.528 31 I N -2.686 117.926 120.570 0.071 0.000 2.545 31 I HA 1.007 5.162 4.170 -0.026 0.000 0.292 31 I C 0.341 176.461 176.117 0.006 0.000 1.040 31 I CA -0.379 60.931 61.300 0.017 0.000 1.068 31 I CB 2.189 40.202 38.000 0.021 0.000 1.251 31 I HN 0.980 nan 8.210 nan 0.000 0.424 32 G N 4.052 112.773 108.800 -0.132 0.000 2.341 32 G HA2 0.550 4.495 3.960 -0.026 0.000 0.299 32 G HA3 0.550 4.495 3.960 -0.026 0.000 0.299 32 G C -3.238 171.443 174.900 -0.364 0.000 1.274 32 G CA -0.716 44.245 45.100 -0.231 0.000 0.853 32 G HN 0.630 nan 8.290 nan 0.000 0.493 33 P HA 0.357 nan 4.420 nan 0.000 0.274 33 P C -0.454 176.687 177.300 -0.265 0.000 1.237 33 P CA -0.396 62.495 63.100 -0.348 0.000 0.793 33 P CB 0.760 32.272 31.700 -0.314 0.000 0.977 34 R N 1.001 121.373 120.500 -0.213 0.000 4.556 34 R HA 0.278 4.603 4.340 -0.026 0.000 0.197 34 R C -0.479 175.721 176.300 -0.168 0.000 1.791 34 R CA -0.397 55.594 56.100 -0.182 0.000 1.526 34 R CB -0.549 29.670 30.300 -0.135 0.000 1.410 34 R HN 0.277 nan 8.270 nan 0.000 0.826 35 L N 1.258 122.357 121.223 -0.207 0.000 2.362 35 L HA 0.503 4.828 4.340 -0.026 0.000 0.271 35 L C -2.189 174.550 176.870 -0.218 0.000 1.002 35 L CA -2.886 51.853 54.840 -0.167 0.000 0.818 35 L CB 1.778 43.756 42.059 -0.134 0.000 1.298 35 L HN 0.095 nan 8.230 nan 0.000 0.420 36 P HA -0.016 nan 4.420 nan 0.000 0.266 36 P C 0.184 177.420 177.300 -0.106 0.000 1.193 36 P CA 0.212 63.249 63.100 -0.106 0.000 0.770 36 P CB 0.325 32.015 31.700 -0.017 0.000 0.836 37 W N 3.193 124.499 121.300 0.011 0.000 2.318 37 W HA -0.152 4.492 4.660 -0.026 0.000 0.313 37 W C -0.586 175.911 176.519 -0.036 0.000 1.221 37 W CA 1.670 59.029 57.345 0.023 0.000 1.266 37 W CB -2.538 26.953 29.460 0.053 0.000 1.150 37 W HN 0.546 nan 8.180 nan 0.000 0.496 38 P HA -0.215 nan 4.420 nan 0.000 0.218 38 P C 1.204 178.499 177.300 -0.008 0.000 1.148 38 P CA 1.957 65.099 63.100 0.070 0.000 0.822 38 P CB -0.007 31.733 31.700 0.067 0.000 0.784 39 E N -0.446 119.744 120.200 -0.016 0.000 2.152 39 E HA -0.080 4.255 4.350 -0.026 0.000 0.192 39 E C 1.853 178.408 176.600 -0.074 0.000 0.983 39 E CA 0.868 57.242 56.400 -0.043 0.000 0.818 39 E CB -1.126 28.550 29.700 -0.040 0.000 0.758 39 E HN 0.129 nan 8.360 nan 0.000 0.467 40 L N 0.285 121.447 121.223 -0.101 0.000 2.093 40 L HA -0.094 4.230 4.340 -0.026 0.000 0.208 40 L C 2.572 179.244 176.870 -0.329 0.000 1.085 40 L CA 1.344 56.109 54.840 -0.125 0.000 0.755 40 L CB -0.265 41.755 42.059 -0.064 0.000 0.904 40 L HN 0.112 nan 8.230 nan 0.000 0.435 41 K N 0.015 120.105 120.400 -0.516 0.000 2.001 41 K HA -0.219 4.086 4.320 -0.026 0.000 0.208 41 K C 2.305 178.744 176.600 -0.269 0.000 1.048 41 K CA 1.177 57.039 56.287 -0.708 0.000 0.932 41 K CB -0.048 32.167 32.500 -0.475 0.000 0.715 41 K HN 0.072 nan 8.250 nan 0.000 0.437 42 R N 0.710 121.121 120.500 -0.150 0.000 2.115 42 R HA -0.172 4.153 4.340 -0.026 0.000 0.239 42 R C 2.393 178.662 176.300 -0.053 0.000 1.133 42 R CA 2.137 58.194 56.100 -0.072 0.000 0.935 42 R CB -0.131 30.142 30.300 -0.046 0.000 0.853 42 R HN 0.218 nan 8.270 nan 0.000 0.433 43 R N -0.464 120.006 120.500 -0.050 0.000 2.127 43 R HA -0.168 4.157 4.340 -0.026 0.000 0.238 43 R C 2.638 178.938 176.300 0.001 0.000 1.134 43 R CA 1.392 57.484 56.100 -0.014 0.000 0.975 43 R CB -0.664 29.638 30.300 0.003 0.000 0.865 43 R HN 0.436 nan 8.270 nan 0.000 0.447 44 c N 0.004 118.601 118.600 -0.006 0.000 2.476 44 c HA -0.081 4.474 4.570 -0.026 0.000 0.278 44 c C 2.864 176.967 174.090 0.021 0.000 1.274 44 c CA 0.453 56.806 56.329 0.039 0.000 1.713 44 c CB -0.973 41.609 42.510 0.121 0.000 2.039 44 c HN 0.621 nan 8.230 nan 0.000 0.484 45 c N 0.775 119.376 118.600 0.001 0.000 2.413 45 c HA -0.087 4.467 4.570 -0.026 0.000 0.277 45 c C 2.980 177.068 174.090 -0.004 0.000 1.228 45 c CA 1.312 57.642 56.329 0.002 0.000 1.731 45 c CB -1.511 40.996 42.510 -0.006 0.000 2.042 45 c HN 0.670 nan 8.230 nan 0.000 0.468 46 R N 1.056 121.552 120.500 -0.007 0.000 2.103 46 R HA -0.165 4.160 4.340 -0.026 0.000 0.242 46 R C 1.946 178.243 176.300 -0.005 0.000 1.142 46 R CA 1.820 57.917 56.100 -0.005 0.000 0.960 46 R CB -0.604 29.693 30.300 -0.004 0.000 0.858 46 R HN 0.654 nan 8.270 nan 0.000 0.439 47 E N -0.111 120.088 120.200 -0.001 0.000 2.106 47 E HA -0.177 4.157 4.350 -0.026 0.000 0.192 47 E C 1.874 178.466 176.600 -0.014 0.000 0.984 47 E CA 0.855 57.252 56.400 -0.004 0.000 0.806 47 E CB -0.097 29.604 29.700 0.002 0.000 0.750 47 E HN 0.078 nan 8.360 nan 0.000 0.458 48 L N 0.478 121.693 121.223 -0.014 0.000 2.141 48 L HA -0.037 4.288 4.340 -0.026 0.000 0.209 48 L C 2.049 178.901 176.870 -0.031 0.000 1.094 48 L CA 1.654 56.479 54.840 -0.025 0.000 0.763 48 L CB -0.489 41.558 42.059 -0.021 0.000 0.908 48 L HN 0.024 nan 8.230 nan 0.000 0.437 49 A N -1.573 121.234 122.820 -0.022 0.000 2.067 49 A HA -0.114 4.190 4.320 -0.026 0.000 0.217 49 A C 1.836 179.402 177.584 -0.030 0.000 1.156 49 A CA 1.231 53.254 52.037 -0.024 0.000 0.683 49 A CB -0.484 18.508 19.000 -0.014 0.000 0.808 49 A HN 0.426 nan 8.150 nan 0.000 0.455 50 D N -0.261 120.123 120.400 -0.027 0.000 2.348 50 D HA 0.062 4.687 4.640 -0.026 0.000 0.216 50 D C 0.386 176.658 176.300 -0.046 0.000 0.970 50 D CA 0.487 54.471 54.000 -0.027 0.000 0.889 50 D CB 0.017 40.808 40.800 -0.016 0.000 0.912 50 D HN 0.425 nan 8.370 nan 0.000 0.524 51 I N 2.193 122.725 120.570 -0.064 0.000 2.428 51 I HA 0.121 4.276 4.170 -0.026 0.000 0.289 51 I C -2.077 173.944 176.117 -0.160 0.000 1.019 51 I CA -2.171 59.067 61.300 -0.104 0.000 1.351 51 I CB 1.410 39.353 38.000 -0.094 0.000 1.412 51 I HN -0.310 nan 8.210 nan 0.000 0.513 52 P HA -0.060 nan 4.420 nan 0.000 0.264 52 P C 0.353 177.401 177.300 -0.421 0.000 1.183 52 P CA 0.105 62.957 63.100 -0.414 0.000 0.763 52 P CB 0.695 31.873 31.700 -0.870 0.000 0.807 53 A N 4.472 127.175 122.820 -0.194 0.000 1.927 53 A HA -0.270 4.035 4.320 -0.026 0.000 0.220 53 A C 1.883 179.441 177.584 -0.043 0.000 1.185 53 A CA 2.315 54.312 52.037 -0.066 0.000 0.639 53 A CB -2.023 17.001 19.000 0.040 0.000 0.820 53 A HN 0.721 nan 8.150 nan 0.000 0.451 54 Y N -2.049 118.269 120.300 0.029 0.000 2.403 54 Y HA -0.101 4.441 4.550 -0.013 0.000 0.291 54 Y C 2.016 177.950 175.900 0.057 0.000 1.143 54 Y CA 0.486 58.609 58.100 0.039 0.000 1.257 54 Y CB -1.422 37.054 38.460 0.026 0.000 0.984 54 Y HN 0.208 nan 8.280 nan 0.000 0.550 55 c N 0.400 118.859 118.600 -0.235 0.000 2.906 55 c HA 0.252 4.807 4.570 -0.026 0.000 0.274 55 c C 2.441 176.504 174.090 -0.045 0.000 1.257 55 c CA -0.493 55.780 56.329 -0.093 0.000 1.695 55 c CB -1.151 41.245 42.510 -0.190 0.000 1.958 55 c HN 0.531 nan 8.230 nan 0.000 0.619 56 R N 0.202 120.669 120.500 -0.054 0.000 2.091 56 R HA -0.159 4.166 4.340 -0.026 0.000 0.238 56 R C 2.023 178.312 176.300 -0.019 0.000 1.136 56 R CA 1.907 57.983 56.100 -0.041 0.000 0.959 56 R CB -0.456 29.818 30.300 -0.043 0.000 0.856 56 R HN 0.514 nan 8.270 nan 0.000 0.437 57 c N -0.503 118.114 118.600 0.027 0.000 2.440 57 c HA -0.051 4.503 4.570 -0.026 0.000 0.278 57 c C 2.602 176.703 174.090 0.018 0.000 1.295 57 c CA 0.925 57.243 56.329 -0.018 0.000 1.738 57 c CB -0.747 41.802 42.510 0.065 0.000 1.987 57 c HN 0.554 nan 8.230 nan 0.000 0.492 58 T N 1.282 115.939 114.554 0.173 0.000 2.777 58 T HA -0.100 4.235 4.350 -0.026 0.000 0.266 58 T C 2.179 176.919 174.700 0.068 0.000 1.040 58 T CA 1.612 63.836 62.100 0.207 0.000 1.141 58 T CB -0.419 68.571 68.868 0.204 0.000 0.868 58 T HN 0.634 nan 8.240 nan 0.000 0.444 59 A N 1.519 124.350 122.820 0.017 0.000 1.883 59 A HA -0.046 4.258 4.320 -0.026 0.000 0.217 59 A C 2.338 179.894 177.584 -0.046 0.000 1.186 59 A CA 1.276 53.301 52.037 -0.019 0.000 0.624 59 A CB -1.009 17.969 19.000 -0.036 0.000 0.822 59 A HN 0.446 nan 8.150 nan 0.000 0.444 60 L N -0.609 120.568 121.223 -0.076 0.000 2.013 60 L HA -0.223 4.101 4.340 -0.026 0.000 0.212 60 L C 2.988 179.779 176.870 -0.132 0.000 1.073 60 L CA 1.968 56.735 54.840 -0.122 0.000 0.753 60 L CB -0.565 41.389 42.059 -0.175 0.000 0.890 60 L HN 0.563 nan 8.230 nan 0.000 0.432 61 S N -0.051 115.562 115.700 -0.144 0.000 2.368 61 S HA -0.172 4.283 4.470 -0.026 0.000 0.225 61 S C 1.918 176.496 174.600 -0.037 0.000 1.030 61 S CA 1.162 59.289 58.200 -0.121 0.000 0.999 61 S CB -0.198 62.953 63.200 -0.081 0.000 0.844 61 S HN 0.306 nan 8.310 nan 0.000 0.459 62 I N 0.885 121.449 120.570 -0.011 0.000 2.226 62 I HA -0.147 4.008 4.170 -0.026 0.000 0.245 62 I C 2.330 178.428 176.117 -0.033 0.000 1.100 62 I CA 0.937 62.233 61.300 -0.006 0.000 1.374 62 I CB -0.305 37.694 38.000 -0.001 0.000 1.057 62 I HN 0.344 nan 8.210 nan 0.000 0.413 63 L N 0.323 121.514 121.223 -0.053 0.000 2.046 63 L HA -0.198 4.126 4.340 -0.026 0.000 0.208 63 L C 2.400 179.227 176.870 -0.071 0.000 1.077 63 L CA 1.832 56.630 54.840 -0.069 0.000 0.747 63 L CB -0.296 41.714 42.059 -0.083 0.000 0.896 63 L HN 0.125 nan 8.230 nan 0.000 0.432 64 M N -0.845 118.709 119.600 -0.076 0.000 2.077 64 M HA -0.130 4.335 4.480 -0.026 0.000 0.261 64 M C 1.054 177.327 176.300 -0.045 0.000 1.070 64 M CA 1.877 57.135 55.300 -0.070 0.000 1.125 64 M CB -0.251 32.294 32.600 -0.092 0.000 1.339 64 M HN 0.204 nan 8.290 nan 0.000 0.409 65 D N -0.696 119.684 120.400 -0.033 0.000 2.433 65 D HA 0.293 4.917 4.640 -0.026 0.000 0.211 65 D C 0.742 177.039 176.300 -0.004 0.000 1.114 65 D CA 0.641 54.634 54.000 -0.013 0.000 0.837 65 D CB 0.557 41.358 40.800 0.002 0.000 0.984 65 D HN 0.412 nan 8.370 nan 0.000 0.505 66 G N 0.784 109.579 108.800 -0.008 0.000 2.781 66 G HA2 0.272 4.216 3.960 -0.026 0.000 0.683 66 G HA3 0.272 4.216 3.960 -0.026 0.000 0.683 66 G C -0.740 174.166 174.900 0.010 0.000 1.390 66 G CA -0.512 44.586 45.100 -0.004 0.000 0.850 66 G HN 0.616 nan 8.290 nan 0.000 0.557 67 A N -0.303 122.522 122.820 0.008 0.000 2.574 67 A HA 0.745 5.049 4.320 -0.026 0.000 0.297 67 A C -0.838 176.749 177.584 0.005 0.000 1.062 67 A CA -0.523 51.520 52.037 0.011 0.000 0.686 67 A CB 1.691 20.698 19.000 0.011 0.000 1.285 67 A HN 1.439 nan 8.150 nan 0.000 0.403 68 I N 3.539 124.110 120.570 0.002 0.000 2.437 68 I HA 0.335 4.490 4.170 -0.026 0.000 0.279 68 I C -2.201 173.907 176.117 -0.014 0.000 1.028 68 I CA -1.946 59.352 61.300 -0.004 0.000 1.142 68 I CB 1.165 39.163 38.000 -0.004 0.000 1.266 68 I HN 0.468 nan 8.210 nan 0.000 0.461 69 P HA 0.372 nan 4.420 nan 0.000 0.275 69 P C -2.745 174.526 177.300 -0.048 0.000 1.227 69 P CA -1.308 61.762 63.100 -0.050 0.000 0.781 69 P CB -0.079 31.583 31.700 -0.063 0.000 0.906 70 P HA 0.504 nan 4.420 nan 0.000 0.278 70 P C -0.025 177.243 177.300 -0.054 0.000 1.238 70 P CA 0.218 63.292 63.100 -0.043 0.000 0.794 70 P CB 0.770 32.451 31.700 -0.031 0.000 0.955 71 G N 1.926 110.703 108.800 -0.039 0.000 2.347 71 G HA2 0.193 4.138 3.960 -0.026 0.000 0.303 71 G HA3 0.193 4.138 3.960 -0.026 0.000 0.303 71 G C -2.566 172.316 174.900 -0.030 0.000 1.481 71 G CA -0.803 44.273 45.100 -0.039 0.000 0.914 71 G HN 0.172 nan 8.290 nan 0.000 0.638 72 P HA -0.058 nan 4.420 nan 0.000 0.214 72 P C 0.979 178.265 177.300 -0.023 0.000 1.169 72 P CA 1.854 64.941 63.100 -0.021 0.000 0.908 72 P CB 0.213 31.902 31.700 -0.018 0.000 0.791 73 D N -1.061 119.321 120.400 -0.030 0.000 2.306 73 D HA 0.173 4.797 4.640 -0.026 0.000 0.239 73 D C 0.531 176.810 176.300 -0.034 0.000 1.105 73 D CA 1.077 55.057 54.000 -0.032 0.000 0.950 73 D CB -0.959 39.816 40.800 -0.041 0.000 1.036 73 D HN 0.099 nan 8.370 nan 0.000 0.428 74 A N 1.608 124.401 122.820 -0.045 0.000 1.726 74 A HA -0.165 4.139 4.320 -0.026 0.000 0.224 74 A C 0.258 177.824 177.584 -0.030 0.000 1.317 74 A CA 0.960 52.973 52.037 -0.040 0.000 0.685 74 A CB -2.013 16.966 19.000 -0.035 0.000 1.175 74 A HN 0.418 nan 8.150 nan 0.000 0.230 75 Q N 2.641 122.421 119.800 -0.034 0.000 2.212 75 Q HA 0.776 5.100 4.340 -0.026 0.000 0.238 75 Q C 0.379 176.373 176.000 -0.010 0.000 0.955 75 Q CA -1.025 54.764 55.803 -0.024 0.000 0.906 75 Q CB 1.030 29.749 28.738 -0.032 0.000 1.215 75 Q HN 1.211 nan 8.270 nan 0.000 0.478 76 L N 2.282 123.501 121.223 -0.007 0.000 2.477 76 L HA 0.220 4.545 4.340 -0.026 0.000 0.272 76 L C -0.722 176.150 176.870 0.003 0.000 1.157 76 L CA 0.516 55.355 54.840 -0.002 0.000 0.889 76 L CB 0.431 42.488 42.059 -0.004 0.000 1.158 76 L HN 0.897 nan 8.230 nan 0.000 0.473 77 E N 3.334 123.542 120.200 0.012 0.000 2.249 77 E HA 0.557 4.892 4.350 -0.026 0.000 0.280 77 E C 0.574 177.172 176.600 -0.004 0.000 1.016 77 E CA 0.725 57.136 56.400 0.018 0.000 0.830 77 E CB 1.277 31.001 29.700 0.040 0.000 1.081 77 E HN 0.903 nan 8.360 nan 0.000 0.395 78 G N 3.557 112.346 108.800 -0.019 0.000 2.574 78 G HA2 -0.371 3.573 3.960 -0.026 0.000 0.282 78 G HA3 -0.371 3.573 3.960 -0.026 0.000 0.282 78 G C -0.583 174.292 174.900 -0.042 0.000 1.257 78 G CA 0.372 45.447 45.100 -0.041 0.000 0.956 78 G HN 0.942 nan 8.290 nan 0.000 0.560 79 R N -2.358 118.115 120.500 -0.046 0.000 1.002 79 R HA -0.081 4.244 4.340 -0.026 0.000 0.430 79 R C -0.881 175.390 176.300 -0.048 0.000 1.355 79 R CA 0.492 56.569 56.100 -0.038 0.000 1.047 79 R CB -1.354 28.932 30.300 -0.023 0.000 3.187 79 R HN 1.038 nan 8.270 nan 0.000 0.514 80 L N 4.449 125.648 121.223 -0.041 0.000 2.275 80 L HA 0.498 4.823 4.340 -0.026 0.000 0.288 80 L C 0.585 177.446 176.870 -0.016 0.000 1.046 80 L CA -0.659 54.159 54.840 -0.036 0.000 0.805 80 L CB 1.447 43.489 42.059 -0.028 0.000 1.193 80 L HN 0.519 nan 8.230 nan 0.000 0.426 81 E N 1.349 121.544 120.200 -0.008 0.000 2.303 81 E HA 0.327 4.661 4.350 -0.026 0.000 0.254 81 E C -1.122 175.488 176.600 0.016 0.000 0.979 81 E CA -0.853 55.550 56.400 0.004 0.000 0.843 81 E CB 1.205 30.909 29.700 0.005 0.000 1.245 81 E HN 0.461 nan 8.360 nan 0.000 0.413 82 D N 0.248 120.659 120.400 0.018 0.000 2.382 82 D HA 0.250 4.874 4.640 -0.026 0.000 0.245 82 D C -0.405 175.914 176.300 0.033 0.000 1.120 82 D CA 0.321 54.335 54.000 0.024 0.000 0.890 82 D CB 0.640 41.452 40.800 0.019 0.000 1.201 82 D HN 0.011 nan 8.370 nan 0.000 0.433 83 L N 3.003 124.250 121.223 0.039 0.000 2.354 83 L HA 0.436 4.761 4.340 -0.026 0.000 0.269 83 L C -2.235 174.657 176.870 0.037 0.000 1.005 83 L CA -2.350 52.519 54.840 0.048 0.000 0.819 83 L CB 1.952 44.051 42.059 0.067 0.000 1.311 83 L HN 0.172 nan 8.230 nan 0.000 0.423 84 P HA -0.063 nan 4.420 nan 0.000 0.259 84 P C 0.555 177.870 177.300 0.024 0.000 1.155 84 P CA 0.779 63.894 63.100 0.025 0.000 0.759 84 P CB 0.296 32.010 31.700 0.023 0.000 0.753 85 G N 2.461 111.273 108.800 0.019 0.000 2.356 85 G HA2 -0.260 3.684 3.960 -0.026 0.000 0.296 85 G HA3 -0.260 3.684 3.960 -0.026 0.000 0.296 85 G C 0.138 175.050 174.900 0.020 0.000 1.022 85 G CA 0.089 45.200 45.100 0.017 0.000 0.961 85 G HN 0.828 nan 8.290 nan 0.000 0.510 86 c N 1.128 119.742 118.600 0.023 0.000 3.238 86 c HA 0.481 5.036 4.570 -0.026 0.000 0.308 86 c C -2.186 171.919 174.090 0.026 0.000 0.971 86 c CA -1.396 54.949 56.329 0.026 0.000 1.207 86 c CB 0.668 43.201 42.510 0.038 0.000 1.696 86 c HN 0.409 nan 8.230 nan 0.000 0.609 87 P HA 0.079 nan 4.420 nan 0.000 0.266 87 P C 0.845 178.156 177.300 0.018 0.000 1.195 87 P CA 0.380 63.490 63.100 0.017 0.000 0.768 87 P CB 0.543 32.251 31.700 0.013 0.000 0.838 88 R N 3.894 124.404 120.500 0.016 0.000 2.154 88 R HA -0.206 4.118 4.340 -0.026 0.000 0.248 88 R C 1.551 177.857 176.300 0.011 0.000 1.155 88 R CA 1.885 57.992 56.100 0.013 0.000 0.979 88 R CB -0.494 29.811 30.300 0.007 0.000 0.869 88 R HN 0.440 nan 8.270 nan 0.000 0.452 89 E N 0.773 120.979 120.200 0.010 0.000 2.153 89 E HA -0.129 4.206 4.350 -0.026 0.000 0.194 89 E C 2.109 178.717 176.600 0.014 0.000 0.988 89 E CA 1.435 57.840 56.400 0.008 0.000 0.811 89 E CB -0.398 29.306 29.700 0.007 0.000 0.746 89 E HN 0.393 nan 8.360 nan 0.000 0.466 90 V N 1.720 121.644 119.914 0.018 0.000 2.379 90 V HA -0.243 3.862 4.120 -0.026 0.000 0.245 90 V C 2.461 178.582 176.094 0.044 0.000 1.044 90 V CA 1.992 64.306 62.300 0.024 0.000 1.036 90 V CB -0.774 31.060 31.823 0.017 0.000 0.664 90 V HN 0.195 nan 8.190 nan 0.000 0.453 91 Q N -0.163 119.665 119.800 0.046 0.000 2.123 91 Q HA -0.108 4.217 4.340 -0.026 0.000 0.199 91 Q C 2.431 178.469 176.000 0.064 0.000 0.966 91 Q CA 1.039 56.888 55.803 0.075 0.000 0.845 91 Q CB -0.263 28.510 28.738 0.057 0.000 0.907 91 Q HN 0.534 nan 8.270 nan 0.000 0.439 92 R N 0.547 121.059 120.500 0.020 0.000 2.080 92 R HA -0.152 4.173 4.340 -0.026 0.000 0.236 92 R C 2.467 178.752 176.300 -0.025 0.000 1.137 92 R CA 1.517 57.607 56.100 -0.017 0.000 0.943 92 R CB -0.747 29.540 30.300 -0.021 0.000 0.846 92 R HN 0.407 nan 8.270 nan 0.000 0.431 93 G N 0.516 109.321 108.800 0.008 0.000 2.476 93 G HA2 -0.326 3.618 3.960 -0.026 0.000 0.218 93 G HA3 -0.326 3.618 3.960 -0.026 0.000 0.218 93 G C 1.218 176.135 174.900 0.028 0.000 1.164 93 G CA 0.836 45.943 45.100 0.011 0.000 0.768 93 G HN 0.351 nan 8.290 nan 0.000 0.560 94 F N 2.415 122.321 119.950 -0.073 0.000 2.259 94 F HA 0.263 4.775 4.527 -0.024 0.000 0.298 94 F C 2.663 178.401 175.800 -0.104 0.000 1.088 94 F CA 0.821 58.765 58.000 -0.092 0.000 1.358 94 F CB -0.288 38.645 39.000 -0.111 0.000 1.040 94 F HN 0.221 nan 8.300 nan 0.000 0.505 95 A N 0.458 123.097 122.820 -0.303 0.000 1.969 95 A HA 0.019 4.324 4.320 -0.026 0.000 0.218 95 A C 2.361 179.736 177.584 -0.349 0.000 1.169 95 A CA 1.362 53.170 52.037 -0.380 0.000 0.635 95 A CB -1.445 17.447 19.000 -0.179 0.000 0.810 95 A HN 0.441 nan 8.150 nan 0.000 0.445 96 A N -0.359 122.303 122.820 -0.263 0.000 2.121 96 A HA -0.018 4.286 4.320 -0.026 0.000 0.218 96 A C 2.175 179.616 177.584 -0.238 0.000 1.154 96 A CA 2.021 53.917 52.037 -0.235 0.000 0.679 96 A CB -0.990 17.899 19.000 -0.185 0.000 0.795 96 A HN 0.768 nan 8.150 nan 0.000 0.458 97 T N -3.248 111.129 114.554 -0.296 0.000 3.107 97 T HA 0.144 4.478 4.350 -0.026 0.000 0.249 97 T C 1.442 175.998 174.700 -0.240 0.000 1.096 97 T CA 0.314 62.272 62.100 -0.236 0.000 1.012 97 T CB -0.308 68.447 68.868 -0.189 0.000 0.977 97 T HN 0.033 nan 8.240 nan 0.000 0.527 98 L N 2.497 123.540 121.223 -0.299 0.000 2.042 98 L HA -0.024 4.301 4.340 -0.026 0.000 0.210 98 L C 2.985 179.801 176.870 -0.089 0.000 1.076 98 L CA 1.696 56.421 54.840 -0.193 0.000 0.749 98 L CB -1.359 40.595 42.059 -0.175 0.000 0.893 98 L HN 0.492 nan 8.230 nan 0.000 0.432 99 V N -4.099 115.758 119.914 -0.095 0.000 2.626 99 V HA -0.115 3.989 4.120 -0.026 0.000 0.252 99 V C 1.298 177.370 176.094 -0.037 0.000 1.067 99 V CA 0.609 62.875 62.300 -0.057 0.000 1.081 99 V CB -1.646 30.141 31.823 -0.061 0.000 0.686 99 V HN 0.380 nan 8.190 nan 0.000 0.468 100 T N 2.639 117.166 114.554 -0.046 0.000 2.908 100 T HA 0.008 4.343 4.350 -0.026 0.000 0.325 100 T C 1.216 175.915 174.700 -0.003 0.000 1.092 100 T CA 0.932 63.017 62.100 -0.024 0.000 1.125 100 T CB 0.649 69.500 68.868 -0.029 0.000 1.016 100 T HN 0.870 nan 8.240 nan 0.000 0.550 101 E N 1.346 121.548 120.200 0.004 0.000 2.338 101 E HA -0.056 4.279 4.350 -0.026 0.000 0.197 101 E C 2.110 178.724 176.600 0.023 0.000 1.007 101 E CA 0.882 57.289 56.400 0.013 0.000 0.849 101 E CB -0.208 29.498 29.700 0.011 0.000 0.774 101 E HN 0.644 nan 8.360 nan 0.000 0.506 102 A N 1.044 123.879 122.820 0.026 0.000 1.929 102 A HA -0.123 4.181 4.320 -0.026 0.000 0.216 102 A C 1.822 179.448 177.584 0.070 0.000 1.176 102 A CA 1.120 53.183 52.037 0.044 0.000 0.628 102 A CB -0.029 18.997 19.000 0.044 0.000 0.816 102 A HN 0.127 nan 8.150 nan 0.000 0.444 103 E N -1.153 119.084 120.200 0.062 0.000 3.416 103 E HA 0.087 4.422 4.350 -0.026 0.000 0.363 103 E C 1.839 178.483 176.600 0.072 0.000 0.572 103 E CA 0.567 57.026 56.400 0.099 0.000 1.746 103 E CB -0.789 28.957 29.700 0.076 0.000 2.273 103 E HN 0.359 nan 8.360 nan 0.000 0.514 104 c N 0.856 119.486 118.600 0.049 0.000 2.481 104 c HA 0.087 4.642 4.570 -0.026 0.000 0.275 104 c C 0.939 175.039 174.090 0.016 0.000 1.419 104 c CA -0.057 56.290 56.329 0.030 0.000 1.773 104 c CB -1.461 41.061 42.510 0.020 0.000 1.862 104 c HN 0.649 nan 8.230 nan 0.000 0.530 105 N N 0.406 119.113 118.700 0.011 0.000 2.671 105 N HA -0.184 4.540 4.740 -0.026 0.000 0.261 105 N C -1.111 174.401 175.510 0.003 0.000 1.053 105 N CA -0.119 52.935 53.050 0.007 0.000 0.732 105 N CB -0.750 37.744 38.487 0.012 0.000 0.887 105 N HN 0.531 nan 8.380 nan 0.000 0.546 106 L N 1.291 122.513 121.223 -0.003 0.000 2.365 106 L HA 0.704 5.029 4.340 -0.026 0.000 0.273 106 L C 0.586 177.455 176.870 -0.001 0.000 1.000 106 L CA -0.715 54.123 54.840 -0.003 0.000 0.819 106 L CB 1.759 43.812 42.059 -0.010 0.000 1.284 106 L HN 0.240 nan 8.230 nan 0.000 0.418 107 A N 1.736 124.560 122.820 0.006 0.000 2.407 107 A HA 0.571 4.875 4.320 -0.026 0.000 0.248 107 A C 0.406 178.001 177.584 0.019 0.000 1.082 107 A CA 0.183 52.229 52.037 0.015 0.000 0.785 107 A CB 0.346 19.359 19.000 0.022 0.000 1.020 107 A HN 0.794 nan 8.150 nan 0.000 0.489 108 T N -0.639 113.935 114.554 0.034 0.000 2.688 108 T HA 0.395 4.729 4.350 -0.026 0.000 0.249 108 T C 1.319 176.068 174.700 0.083 0.000 0.944 108 T CA 0.219 62.350 62.100 0.051 0.000 1.058 108 T CB -0.071 68.831 68.868 0.056 0.000 1.673 108 T HN 0.543 nan 8.240 nan 0.000 0.565 109 I N 1.329 121.968 120.570 0.115 0.000 2.454 109 I HA -0.116 4.038 4.170 -0.026 0.000 0.254 109 I C 2.301 178.473 176.117 0.092 0.000 1.156 109 I CA 1.786 63.165 61.300 0.131 0.000 1.433 109 I CB -0.141 37.951 38.000 0.152 0.000 1.082 109 I HN 0.766 nan 8.210 nan 0.000 0.432 110 S N -0.204 115.545 115.700 0.082 0.000 2.562 110 S HA 0.167 4.622 4.470 -0.026 0.000 0.221 110 S C 1.680 176.309 174.600 0.049 0.000 0.975 110 S CA 0.418 58.655 58.200 0.062 0.000 0.918 110 S CB 0.147 63.385 63.200 0.063 0.000 0.772 110 S HN 0.726 nan 8.310 nan 0.000 0.531 111 G N -0.060 108.771 108.800 0.051 0.000 2.179 111 G HA2 -0.234 3.710 3.960 -0.026 0.000 0.260 111 G HA3 -0.234 3.710 3.960 -0.026 0.000 0.260 111 G C 0.060 174.979 174.900 0.031 0.000 0.977 111 G CA 0.218 45.342 45.100 0.040 0.000 0.641 111 G HN 0.744 nan 8.290 nan 0.000 0.533 112 V N 0.416 120.349 119.914 0.032 0.000 2.815 112 V HA 0.779 4.883 4.120 -0.026 0.000 0.314 112 V C 0.951 177.056 176.094 0.019 0.000 1.064 112 V CA -0.194 62.120 62.300 0.023 0.000 0.952 112 V CB 1.891 33.727 31.823 0.023 0.000 1.020 112 V HN 1.077 nan 8.190 nan 0.000 0.439 113 A N 3.636 126.462 122.820 0.011 0.000 3.046 113 A HA 0.395 4.699 4.320 -0.026 0.000 0.259 113 A C 0.441 178.020 177.584 -0.008 0.000 1.843 113 A CA 0.320 52.357 52.037 0.001 0.000 1.451 113 A CB -0.842 18.158 19.000 -0.000 0.000 1.025 113 A HN 0.865 nan 8.150 nan 0.000 0.625 114 E N -1.269 118.928 120.200 -0.005 0.000 2.388 114 E HA 0.392 4.727 4.350 -0.026 0.000 0.280 114 E C -1.774 174.815 176.600 -0.019 0.000 1.019 114 E CA -0.867 55.521 56.400 -0.020 0.000 0.806 114 E CB 0.964 30.658 29.700 -0.009 0.000 1.246 114 E HN 0.103 nan 8.360 nan 0.000 0.443 115 c N 4.134 122.692 118.600 -0.071 0.000 2.621 115 c HA 0.345 4.900 4.570 -0.026 0.000 0.272 115 c C -1.140 172.851 174.090 -0.165 0.000 1.119 115 c CA -1.023 55.224 56.329 -0.138 0.000 1.593 115 c CB 0.072 42.417 42.510 -0.274 0.000 1.749 115 c HN 0.626 nan 8.230 nan 0.000 0.420 116 P HA -0.127 nan 4.420 nan 0.000 0.220 116 P C 1.305 178.659 177.300 0.091 0.000 1.144 116 P CA 1.660 64.788 63.100 0.047 0.000 0.800 116 P CB 0.009 31.776 31.700 0.112 0.000 0.772 117 W N -1.798 119.499 121.300 -0.005 0.000 2.915 117 W HA 0.178 4.828 4.660 -0.016 0.000 0.276 117 W C 1.287 177.801 176.519 -0.008 0.000 1.215 117 W CA -0.288 57.055 57.345 -0.004 0.000 1.514 117 W CB -1.236 28.223 29.460 -0.001 0.000 1.017 117 W HN -0.273 nan 8.180 nan 0.000 0.598 118 I N 2.902 122.878 120.570 -0.990 0.000 2.109 118 I HA -0.265 3.889 4.170 -0.026 0.000 0.233 118 I C 1.357 177.233 176.117 -0.402 0.000 1.005 118 I CA 1.050 61.757 61.300 -0.987 0.000 1.294 118 I CB -1.628 35.912 38.000 -0.766 0.000 1.005 118 I HN -0.052 nan 8.210 nan 0.000 0.392 119 L N 0.934 122.004 121.223 -0.254 0.000 2.562 119 L HA 0.329 4.654 4.340 -0.026 0.000 0.271 119 L C 0.794 177.631 176.870 -0.055 0.000 1.167 119 L CA 0.878 55.639 54.840 -0.132 0.000 0.917 119 L CB -0.478 41.518 42.059 -0.104 0.000 1.187 119 L HN 0.606 nan 8.230 nan 0.000 0.482 120 G N 0.000 108.783 108.800 -0.029 0.000 5.446 120 G HA2 0.000 3.945 3.960 -0.026 0.000 0.244 120 G HA3 0.000 3.945 3.960 -0.026 0.000 0.244 120 G CA 0.000 45.108 45.100 0.013 0.000 0.502 120 G HN 0.000 nan 8.290 nan 0.000 0.925