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 1i4z_1_G DATA FIRST_RESID 1 DATA SEQUENCE GFPIPDPYVW DPSFRTFYSI IDDEHKTLFN GIFHLAIDDN ADNLGELRRC DATA SEQUENCE TGKHFLNEQV LMQASQYQFY DEHKKEHETF IHALDNWKGD VKWAKSWYVN DATA SEQUENCE HIKTIDFKYK GKI 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.965 3.960 0.008 0.000 0.244 1 G C 0.000 174.620 174.900 -0.467 0.000 0.946 1 G CA 0.000 44.908 45.100 -0.320 0.000 0.502 2 F N 2.293 122.188 119.950 -0.092 0.000 2.458 2 F HA 0.583 5.116 4.527 0.010 0.000 0.330 2 F C -1.656 174.122 175.800 -0.036 0.000 1.082 2 F CA -2.482 55.460 58.000 -0.097 0.000 0.995 2 F CB 1.554 40.458 39.000 -0.160 0.000 1.170 2 F HN -0.179 nan 8.300 nan 0.000 0.478 3 P HA 0.139 nan 4.420 nan 0.000 0.276 3 P C -0.622 176.790 177.300 0.187 0.000 1.235 3 P CA -0.119 63.054 63.100 0.122 0.000 0.772 3 P CB 0.782 32.524 31.700 0.071 0.000 0.871 4 I N 5.187 125.877 120.570 0.201 0.000 2.436 4 I HA 0.174 4.348 4.170 0.008 0.000 0.289 4 I C -1.672 174.611 176.117 0.277 0.000 1.083 4 I CA -2.469 59.005 61.300 0.290 0.000 1.372 4 I CB -0.634 37.534 38.000 0.280 0.000 1.408 4 I HN 0.207 nan 8.210 nan 0.000 0.516 5 P HA 0.083 nan 4.420 nan 0.000 0.269 5 P C -0.449 177.005 177.300 0.257 0.000 1.211 5 P CA 0.168 63.401 63.100 0.222 0.000 0.781 5 P CB 0.643 32.439 31.700 0.160 0.000 0.877 6 D N 0.834 121.351 120.400 0.195 0.000 2.613 6 D HA 0.179 4.824 4.640 0.008 0.000 0.230 6 D C -2.372 174.027 176.300 0.164 0.000 1.365 6 D CA -1.253 52.864 54.000 0.196 0.000 0.976 6 D CB 0.895 41.784 40.800 0.149 0.000 1.415 6 D HN 0.226 nan 8.370 nan 0.000 0.589 7 P HA 0.125 nan 4.420 nan 0.000 0.271 7 P C -0.367 177.175 177.300 0.404 0.000 1.218 7 P CA -0.310 62.993 63.100 0.339 0.000 0.780 7 P CB 0.506 32.469 31.700 0.439 0.000 0.901 8 Y N 2.023 122.562 120.300 0.399 0.000 2.733 8 Y HA 0.221 4.776 4.550 0.009 0.000 0.359 8 Y C -0.360 175.856 175.900 0.527 0.000 1.242 8 Y CA 0.462 58.822 58.100 0.435 0.000 1.715 8 Y CB -0.227 38.432 38.460 0.331 0.000 1.365 8 Y HN 0.061 nan 8.280 nan 0.000 0.488 9 V N 5.844 125.857 119.914 0.166 0.000 2.888 9 V HA 0.111 4.236 4.120 0.008 0.000 0.309 9 V C -0.815 175.029 176.094 -0.417 0.000 1.114 9 V CA -1.539 60.762 62.300 0.002 0.000 0.940 9 V CB 1.629 33.434 31.823 -0.029 0.000 1.021 9 V HN 0.704 nan 8.190 nan 0.000 0.426 10 W N 4.161 124.866 121.300 -0.992 0.000 2.193 10 W HA 0.416 5.080 4.660 0.007 0.000 0.338 10 W C -0.039 176.149 176.519 -0.552 0.000 1.310 10 W CA 0.686 57.206 57.345 -1.376 0.000 1.243 10 W CB 0.585 29.474 29.460 -0.952 0.000 1.165 10 W HN 0.827 nan 8.180 nan 0.000 0.566 11 D N 3.481 123.443 120.400 -0.731 0.000 2.596 11 D HA 0.362 5.007 4.640 0.008 0.000 0.234 11 D C -2.409 173.267 176.300 -1.041 0.000 1.181 11 D CA -1.886 51.833 54.000 -0.468 0.000 0.856 11 D CB 1.894 42.582 40.800 -0.186 0.000 1.498 11 D HN 0.027 nan 8.370 nan 0.000 0.446 12 P HA -0.209 nan 4.420 nan 0.000 0.219 12 P C 1.247 178.288 177.300 -0.431 0.000 1.144 12 P CA 1.651 64.494 63.100 -0.428 0.000 0.806 12 P CB 0.054 31.701 31.700 -0.088 0.000 0.771 13 S N -2.065 113.369 115.700 -0.444 0.000 2.474 13 S HA -0.109 4.366 4.470 0.008 0.000 0.235 13 S C 1.437 175.712 174.600 -0.542 0.000 0.997 13 S CA 0.777 58.710 58.200 -0.445 0.000 0.949 13 S CB -1.474 61.412 63.200 -0.522 0.000 0.766 13 S HN 0.088 nan 8.310 nan 0.000 0.517 14 F N 1.698 121.256 119.950 -0.652 0.000 2.797 14 F HA 0.362 4.893 4.527 0.007 0.000 0.302 14 F C 1.303 177.018 175.800 -0.142 0.000 1.130 14 F CA -0.510 57.157 58.000 -0.554 0.000 1.387 14 F CB -0.049 38.329 39.000 -1.037 0.000 1.107 14 F HN -0.085 nan 8.300 nan 0.000 0.577 15 R N 0.349 120.773 120.500 -0.126 0.000 2.538 15 R HA 0.023 4.368 4.340 0.008 0.000 0.282 15 R C 1.410 177.411 176.300 -0.498 0.000 1.009 15 R CA 0.883 56.844 56.100 -0.231 0.000 1.063 15 R CB 0.280 30.181 30.300 -0.666 0.000 0.945 15 R HN 0.170 nan 8.270 nan 0.000 0.414 16 T N -0.799 113.634 114.554 -0.201 0.000 3.023 16 T HA 0.119 4.474 4.350 0.008 0.000 0.253 16 T C 0.422 174.977 174.700 -0.242 0.000 1.038 16 T CA -0.296 61.727 62.100 -0.129 0.000 0.962 16 T CB 0.140 69.302 68.868 0.489 0.000 1.018 16 T HN 0.606 nan 8.240 nan 0.000 0.521 17 F N -0.581 119.322 119.950 -0.078 0.000 2.840 17 F HA -0.142 4.389 4.527 0.007 0.000 0.310 17 F C -0.674 174.992 175.800 -0.223 0.000 0.688 17 F CA -0.261 57.632 58.000 -0.178 0.000 1.286 17 F CB -2.701 36.128 39.000 -0.285 0.000 1.612 17 F HN 0.322 nan 8.300 nan 0.000 0.335 18 Y N 0.047 120.479 120.300 0.220 0.000 2.478 18 Y HA 0.507 5.056 4.550 -0.002 0.000 0.329 18 Y C 1.432 177.397 175.900 0.109 0.000 0.967 18 Y CA -0.599 57.592 58.100 0.151 0.000 1.255 18 Y CB 1.291 39.834 38.460 0.138 0.000 1.103 18 Y HN -0.037 nan 8.280 nan 0.000 0.497 19 S N 2.613 118.442 115.700 0.215 0.000 2.378 19 S HA -0.207 4.268 4.470 0.008 0.000 0.229 19 S C 1.984 176.620 174.600 0.061 0.000 1.052 19 S CA 1.694 59.962 58.200 0.113 0.000 1.084 19 S CB -0.090 63.159 63.200 0.081 0.000 0.950 19 S HN 0.606 nan 8.310 nan 0.000 0.440 20 I N 1.358 121.966 120.570 0.064 0.000 2.179 20 I HA -0.104 4.071 4.170 0.008 0.000 0.242 20 I C 2.229 178.351 176.117 0.010 0.000 1.088 20 I CA 1.146 62.457 61.300 0.019 0.000 1.357 20 I CB -1.367 36.639 38.000 0.010 0.000 1.051 20 I HN 0.273 nan 8.210 nan 0.000 0.409 21 I N 0.877 121.476 120.570 0.048 0.000 2.286 21 I HA -0.303 3.872 4.170 0.008 0.000 0.248 21 I C 2.126 178.149 176.117 -0.157 0.000 1.115 21 I CA 1.354 62.663 61.300 0.015 0.000 1.392 21 I CB -0.376 37.715 38.000 0.153 0.000 1.065 21 I HN 0.205 nan 8.210 nan 0.000 0.418 22 D N 0.676 121.091 120.400 0.025 0.000 2.144 22 D HA -0.164 4.481 4.640 0.008 0.000 0.200 22 D C 1.765 177.890 176.300 -0.292 0.000 0.978 22 D CA 1.146 55.176 54.000 0.049 0.000 0.833 22 D CB -0.302 40.600 40.800 0.170 0.000 0.961 22 D HN 0.335 nan 8.370 nan 0.000 0.470 23 D N 0.847 121.102 120.400 -0.241 0.000 2.144 23 D HA -0.095 4.550 4.640 0.008 0.000 0.200 23 D C 1.855 178.019 176.300 -0.227 0.000 0.978 23 D CA 0.633 54.460 54.000 -0.288 0.000 0.833 23 D CB -0.038 40.664 40.800 -0.162 0.000 0.961 23 D HN 0.401 nan 8.370 nan 0.000 0.470 24 E N -0.104 120.014 120.200 -0.137 0.000 2.153 24 E HA -0.153 4.202 4.350 0.008 0.000 0.194 24 E C 1.901 178.458 176.600 -0.071 0.000 0.988 24 E CA 0.652 57.014 56.400 -0.065 0.000 0.811 24 E CB -0.176 29.582 29.700 0.096 0.000 0.746 24 E HN 0.560 nan 8.360 nan 0.000 0.466 25 H N 0.838 119.866 119.070 -0.070 0.000 2.357 25 H HA -0.034 4.528 4.556 0.010 0.000 0.301 25 H C 1.981 177.388 175.328 0.131 0.000 1.082 25 H CA 0.980 57.108 56.048 0.132 0.000 1.342 25 H CB 0.184 30.177 29.762 0.385 0.000 1.389 25 H HN 0.018 nan 8.280 nan 0.000 0.511 26 K N 0.135 120.391 120.400 -0.240 0.000 2.147 26 K HA -0.124 4.201 4.320 0.008 0.000 0.205 26 K C 2.327 178.912 176.600 -0.024 0.000 1.049 26 K CA 1.732 57.839 56.287 -0.300 0.000 0.936 26 K CB -0.142 31.998 32.500 -0.599 0.000 0.722 26 K HN 0.428 nan 8.250 nan 0.000 0.446 27 T N -0.123 114.416 114.554 -0.026 0.000 2.851 27 T HA -0.012 4.343 4.350 0.008 0.000 0.262 27 T C 2.009 176.739 174.700 0.050 0.000 1.043 27 T CA 0.468 62.571 62.100 0.005 0.000 1.140 27 T CB -0.326 68.529 68.868 -0.023 0.000 0.872 27 T HN 0.064 nan 8.240 nan 0.000 0.446 28 L N -0.868 120.385 121.223 0.050 0.000 2.083 28 L HA 0.072 4.417 4.340 0.008 0.000 0.209 28 L C 2.551 179.407 176.870 -0.022 0.000 1.083 28 L CA 1.269 56.069 54.840 -0.066 0.000 0.752 28 L CB -0.515 41.410 42.059 -0.222 0.000 0.899 28 L HN 0.178 nan 8.230 nan 0.000 0.433 29 F N 0.413 120.377 119.950 0.023 0.000 2.102 29 F HA -0.261 4.271 4.527 0.008 0.000 0.298 29 F C 2.417 178.338 175.800 0.202 0.000 1.105 29 F CA 2.105 60.193 58.000 0.146 0.000 1.239 29 F CB -0.523 38.513 39.000 0.060 0.000 0.991 29 F HN 0.188 nan 8.300 nan 0.000 0.474 30 N N -0.140 118.736 118.700 0.292 0.000 2.104 30 N HA -0.152 4.593 4.740 0.008 0.000 0.190 30 N C 2.134 177.841 175.510 0.330 0.000 1.024 30 N CA 1.477 54.663 53.050 0.226 0.000 0.853 30 N CB -0.554 38.011 38.487 0.131 0.000 1.008 30 N HN 0.244 nan 8.380 nan 0.000 0.424 31 G N 0.770 109.689 108.800 0.197 0.000 2.459 31 G HA2 -0.271 3.694 3.960 0.008 0.000 0.217 31 G HA3 -0.271 3.694 3.960 0.008 0.000 0.217 31 G C 1.450 176.419 174.900 0.114 0.000 1.183 31 G CA 1.074 46.249 45.100 0.125 0.000 0.776 31 G HN 0.454 nan 8.290 nan 0.000 0.552 32 I N -0.620 119.992 120.570 0.070 0.000 2.493 32 I HA 0.053 4.228 4.170 0.008 0.000 0.254 32 I C 2.286 178.437 176.117 0.056 0.000 1.160 32 I CA 0.722 62.018 61.300 -0.006 0.000 1.445 32 I CB -0.344 37.571 38.000 -0.143 0.000 1.086 32 I HN 0.173 nan 8.210 nan 0.000 0.433 33 F N 1.307 121.300 119.950 0.073 0.000 2.091 33 F HA -0.308 4.224 4.527 0.009 0.000 0.299 33 F C 2.309 178.044 175.800 -0.107 0.000 1.103 33 F CA 2.450 60.465 58.000 0.024 0.000 1.228 33 F CB -0.546 38.457 39.000 0.004 0.000 0.984 33 F HN 0.233 nan 8.300 nan 0.000 0.477 34 H N -0.803 118.426 119.070 0.264 0.000 2.436 34 H HA -0.030 4.530 4.556 0.008 0.000 0.294 34 H C 2.231 177.559 175.328 -0.000 0.000 1.048 34 H CA 1.100 57.219 56.048 0.117 0.000 1.353 34 H CB -0.156 29.710 29.762 0.173 0.000 1.414 34 H HN 0.239 nan 8.280 nan 0.000 0.536 35 L N 0.482 121.759 121.223 0.090 0.000 2.275 35 L HA -0.054 4.290 4.340 0.008 0.000 0.215 35 L C 2.048 178.937 176.870 0.032 0.000 1.119 35 L CA 1.305 56.159 54.840 0.022 0.000 0.790 35 L CB -0.689 41.327 42.059 -0.072 0.000 0.919 35 L HN 0.337 nan 8.230 nan 0.000 0.443 36 A N 0.123 122.921 122.820 -0.036 0.000 1.898 36 A HA -0.113 4.212 4.320 0.008 0.000 0.214 36 A C 2.118 179.654 177.584 -0.081 0.000 1.183 36 A CA 1.065 53.063 52.037 -0.066 0.000 0.622 36 A CB -0.345 18.556 19.000 -0.165 0.000 0.824 36 A HN 0.414 nan 8.150 nan 0.000 0.444 37 I N -0.736 119.751 120.570 -0.138 0.000 2.202 37 I HA -0.093 4.082 4.170 0.008 0.000 0.242 37 I C 0.359 176.468 176.117 -0.014 0.000 1.091 37 I CA 1.209 62.449 61.300 -0.100 0.000 1.368 37 I CB -0.034 37.895 38.000 -0.118 0.000 1.058 37 I HN 0.227 nan 8.210 nan 0.000 0.410 38 D N 0.123 120.537 120.400 0.023 0.000 2.386 38 D HA 0.075 4.720 4.640 0.008 0.000 0.247 38 D C -0.361 175.970 176.300 0.053 0.000 1.336 38 D CA -0.355 53.669 54.000 0.040 0.000 0.976 38 D CB 0.949 41.777 40.800 0.046 0.000 1.257 38 D HN -0.096 nan 8.370 nan 0.000 0.570 39 D N 2.479 122.922 120.400 0.072 0.000 2.379 39 D HA -0.059 4.586 4.640 0.008 0.000 0.243 39 D C 0.580 176.936 176.300 0.094 0.000 1.088 39 D CA 0.070 54.145 54.000 0.126 0.000 0.925 39 D CB -0.117 40.793 40.800 0.183 0.000 0.888 39 D HN 0.598 nan 8.370 nan 0.000 0.529 40 N N -1.066 117.661 118.700 0.045 0.000 2.297 40 N HA -0.020 4.725 4.740 0.008 0.000 0.232 40 N C 1.156 176.662 175.510 -0.006 0.000 1.311 40 N CA 0.143 53.206 53.050 0.022 0.000 0.897 40 N CB 0.854 39.347 38.487 0.011 0.000 1.137 40 N HN -0.102 nan 8.380 nan 0.000 0.449 41 A N 0.508 123.321 122.820 -0.011 0.000 1.969 41 A HA -0.181 4.144 4.320 0.008 0.000 0.218 41 A C 1.607 179.159 177.584 -0.053 0.000 1.169 41 A CA 1.673 53.689 52.037 -0.034 0.000 0.635 41 A CB -0.606 18.379 19.000 -0.024 0.000 0.810 41 A HN 0.822 nan 8.150 nan 0.000 0.445 42 D N 0.129 120.505 120.400 -0.041 0.000 2.078 42 D HA -0.131 4.513 4.640 0.008 0.000 0.193 42 D C 1.755 178.017 176.300 -0.063 0.000 0.990 42 D CA 1.462 55.434 54.000 -0.048 0.000 0.827 42 D CB -0.251 40.526 40.800 -0.038 0.000 0.975 42 D HN 0.332 nan 8.370 nan 0.000 0.451 43 N N 0.034 118.702 118.700 -0.054 0.000 2.149 43 N HA -0.130 4.615 4.740 0.008 0.000 0.188 43 N C 1.673 177.118 175.510 -0.109 0.000 1.019 43 N CA 0.360 53.377 53.050 -0.055 0.000 0.857 43 N CB -0.388 38.096 38.487 -0.006 0.000 0.997 43 N HN 0.149 nan 8.380 nan 0.000 0.426 44 L N 0.598 121.729 121.223 -0.152 0.000 2.027 44 L HA 0.067 4.412 4.340 0.008 0.000 0.206 44 L C 2.049 178.782 176.870 -0.228 0.000 1.074 44 L CA 1.810 56.488 54.840 -0.269 0.000 0.745 44 L CB -1.162 40.714 42.059 -0.306 0.000 0.898 44 L HN 0.161 nan 8.230 nan 0.000 0.433 45 G N -1.263 107.445 108.800 -0.155 0.000 2.422 45 G HA2 -0.332 3.633 3.960 0.008 0.000 0.218 45 G HA3 -0.332 3.633 3.960 0.008 0.000 0.218 45 G C 1.472 176.302 174.900 -0.117 0.000 1.146 45 G CA 0.901 45.925 45.100 -0.127 0.000 0.769 45 G HN 0.481 nan 8.290 nan 0.000 0.547 46 E N 0.041 120.178 120.200 -0.105 0.000 2.051 46 E HA -0.115 4.240 4.350 0.008 0.000 0.192 46 E C 2.287 178.826 176.600 -0.102 0.000 0.991 46 E CA 0.848 57.195 56.400 -0.088 0.000 0.799 46 E CB -0.432 29.224 29.700 -0.074 0.000 0.748 46 E HN 0.268 nan 8.360 nan 0.000 0.449 47 L N 0.748 121.892 121.223 -0.133 0.000 1.994 47 L HA -0.091 4.254 4.340 0.008 0.000 0.208 47 L C 2.410 179.165 176.870 -0.191 0.000 1.071 47 L CA 2.034 56.777 54.840 -0.161 0.000 0.745 47 L CB -0.851 41.075 42.059 -0.221 0.000 0.892 47 L HN 0.076 nan 8.230 nan 0.000 0.431 48 R N -0.012 120.356 120.500 -0.219 0.000 2.117 48 R HA -0.213 4.132 4.340 0.008 0.000 0.243 48 R C 2.535 178.744 176.300 -0.153 0.000 1.143 48 R CA 2.094 58.069 56.100 -0.208 0.000 0.968 48 R CB -0.597 29.585 30.300 -0.197 0.000 0.863 48 R HN 0.523 nan 8.270 nan 0.000 0.444 49 R N -0.830 119.598 120.500 -0.119 0.000 2.062 49 R HA -0.117 4.228 4.340 0.008 0.000 0.231 49 R C 2.369 178.620 176.300 -0.082 0.000 1.136 49 R CA 1.786 57.836 56.100 -0.084 0.000 0.948 49 R CB -1.036 29.224 30.300 -0.065 0.000 0.845 49 R HN 0.415 nan 8.270 nan 0.000 0.430 50 C N 0.813 120.061 119.300 -0.087 0.000 2.422 50 C HA -0.029 4.436 4.460 0.008 0.000 0.279 50 C C 2.500 177.427 174.990 -0.105 0.000 1.305 50 C CA 1.566 60.542 59.018 -0.069 0.000 1.757 50 C CB -0.949 26.753 27.740 -0.065 0.000 1.962 50 C HN 0.619 nan 8.230 nan 0.000 0.499 51 T N -0.245 114.185 114.554 -0.206 0.000 2.770 51 T HA 0.048 4.403 4.350 0.008 0.000 0.258 51 T C 1.942 176.363 174.700 -0.465 0.000 1.039 51 T CA 1.609 63.449 62.100 -0.434 0.000 1.143 51 T CB -0.754 67.862 68.868 -0.420 0.000 0.866 51 T HN 0.660 nan 8.240 nan 0.000 0.428 52 G N 1.557 110.218 108.800 -0.231 0.000 2.440 52 G HA2 -0.243 3.722 3.960 0.008 0.000 0.218 52 G HA3 -0.243 3.722 3.960 0.008 0.000 0.218 52 G C 1.517 176.407 174.900 -0.017 0.000 1.154 52 G CA 1.020 46.068 45.100 -0.087 0.000 0.767 52 G HN 0.441 nan 8.290 nan 0.000 0.552 53 K N -0.074 120.313 120.400 -0.021 0.000 2.025 53 K HA -0.157 4.168 4.320 0.008 0.000 0.207 53 K C 2.250 178.882 176.600 0.053 0.000 1.049 53 K CA 1.548 57.846 56.287 0.019 0.000 0.933 53 K CB -0.345 32.162 32.500 0.012 0.000 0.714 53 K HN 0.459 nan 8.250 nan 0.000 0.438 54 H N -0.409 118.658 119.070 -0.006 0.000 2.357 54 H HA -0.101 4.459 4.556 0.007 0.000 0.301 54 H C 1.689 177.147 175.328 0.217 0.000 1.082 54 H CA 1.970 58.067 56.048 0.082 0.000 1.342 54 H CB -0.110 29.714 29.762 0.104 0.000 1.389 54 H HN 0.140 nan 8.280 nan 0.000 0.511 55 F N -0.112 119.732 119.950 -0.176 0.000 2.171 55 F HA -0.099 4.432 4.527 0.007 0.000 0.300 55 F C 2.336 178.053 175.800 -0.139 0.000 1.090 55 F CA 0.827 58.603 58.000 -0.373 0.000 1.293 55 F CB -1.033 37.775 39.000 -0.319 0.000 1.013 55 F HN 0.301 nan 8.300 nan 0.000 0.486 56 L N 0.367 121.674 121.223 0.140 0.000 2.044 56 L HA -0.121 4.224 4.340 0.008 0.000 0.205 56 L C 1.982 178.883 176.870 0.050 0.000 1.075 56 L CA 1.744 56.655 54.840 0.118 0.000 0.747 56 L CB -0.996 41.120 42.059 0.095 0.000 0.903 56 L HN 0.045 nan 8.230 nan 0.000 0.435 57 N N -0.795 117.900 118.700 -0.009 0.000 2.104 57 N HA -0.257 4.488 4.740 0.008 0.000 0.190 57 N C 1.727 177.181 175.510 -0.093 0.000 1.024 57 N CA 1.470 54.493 53.050 -0.045 0.000 0.853 57 N CB -0.052 38.408 38.487 -0.045 0.000 1.008 57 N HN 0.497 nan 8.380 nan 0.000 0.424 58 E N 1.119 121.223 120.200 -0.161 0.000 2.072 58 E HA -0.166 4.189 4.350 0.008 0.000 0.190 58 E C 1.832 178.384 176.600 -0.080 0.000 0.982 58 E CA 0.806 57.102 56.400 -0.174 0.000 0.803 58 E CB 0.184 29.777 29.700 -0.180 0.000 0.755 58 E HN 0.367 nan 8.360 nan 0.000 0.453 59 Q N -0.187 119.656 119.800 0.072 0.000 2.124 59 Q HA -0.133 4.212 4.340 0.008 0.000 0.202 59 Q C 2.220 178.334 176.000 0.190 0.000 0.977 59 Q CA 1.317 57.280 55.803 0.267 0.000 0.850 59 Q CB 0.163 29.137 28.738 0.394 0.000 0.901 59 Q HN 0.190 nan 8.270 nan 0.000 0.429 60 V N 0.700 120.647 119.914 0.055 0.000 2.453 60 V HA -0.204 3.921 4.120 0.008 0.000 0.247 60 V C 2.079 178.128 176.094 -0.076 0.000 1.048 60 V CA 0.965 63.253 62.300 -0.020 0.000 1.049 60 V CB -0.330 31.481 31.823 -0.021 0.000 0.672 60 V HN 0.387 nan 8.190 nan 0.000 0.457 61 L N -0.604 120.550 121.223 -0.115 0.000 2.012 61 L HA -0.173 4.172 4.340 0.008 0.000 0.210 61 L C 2.311 179.050 176.870 -0.219 0.000 1.073 61 L CA 2.240 56.956 54.840 -0.207 0.000 0.748 61 L CB -0.854 41.009 42.059 -0.327 0.000 0.891 61 L HN 0.328 nan 8.230 nan 0.000 0.431 62 M N -1.528 117.970 119.600 -0.170 0.000 2.175 62 M HA -0.217 4.268 4.480 0.008 0.000 0.264 62 M C 2.111 178.408 176.300 -0.005 0.000 1.063 62 M CA 1.406 56.666 55.300 -0.067 0.000 1.119 62 M CB -0.306 32.395 32.600 0.169 0.000 1.377 62 M HN 0.288 nan 8.290 nan 0.000 0.415 63 Q N 0.047 119.783 119.800 -0.107 0.000 2.224 63 Q HA -0.068 4.277 4.340 0.008 0.000 0.203 63 Q C 2.143 178.066 176.000 -0.129 0.000 0.970 63 Q CA 1.296 56.964 55.803 -0.226 0.000 0.865 63 Q CB -0.177 28.360 28.738 -0.335 0.000 0.922 63 Q HN 0.565 nan 8.270 nan 0.000 0.445 64 A N -0.077 122.682 122.820 -0.101 0.000 2.070 64 A HA -0.078 4.247 4.320 0.008 0.000 0.220 64 A C 1.835 179.386 177.584 -0.056 0.000 1.159 64 A CA 1.268 53.258 52.037 -0.078 0.000 0.656 64 A CB 0.097 19.049 19.000 -0.080 0.000 0.800 64 A HN 0.141 nan 8.150 nan 0.000 0.453 65 S N -0.994 114.681 115.700 -0.042 0.000 2.730 65 S HA 0.206 4.681 4.470 0.008 0.000 0.244 65 S C -0.172 174.437 174.600 0.016 0.000 1.022 65 S CA -0.296 57.900 58.200 -0.007 0.000 1.014 65 S CB 0.077 63.282 63.200 0.008 0.000 0.963 65 S HN 0.590 nan 8.310 nan 0.000 0.540 66 Q N 0.721 120.515 119.800 -0.009 0.000 2.452 66 Q HA -0.243 4.102 4.340 0.008 0.000 0.318 66 Q C -0.446 175.583 176.000 0.048 0.000 1.386 66 Q CA 0.317 56.111 55.803 -0.016 0.000 0.872 66 Q CB -1.765 26.952 28.738 -0.036 0.000 1.151 66 Q HN 0.776 nan 8.270 nan 0.000 0.417 67 Y N 0.471 120.754 120.300 -0.029 0.000 2.904 67 Y HA -0.244 4.312 4.550 0.009 0.000 0.336 67 Y C 1.608 177.485 175.900 -0.037 0.000 1.263 67 Y CA 1.193 59.307 58.100 0.023 0.000 1.547 67 Y CB 0.536 39.074 38.460 0.131 0.000 1.272 67 Y HN 0.392 nan 8.280 nan 0.000 0.596 68 Q N 4.116 123.530 119.800 -0.644 0.000 2.119 68 Q HA -0.129 4.216 4.340 0.008 0.000 0.201 68 Q C -0.059 175.276 176.000 -1.108 0.000 0.972 68 Q CA 1.175 56.431 55.803 -0.912 0.000 0.847 68 Q CB -0.013 28.029 28.738 -1.160 0.000 0.903 68 Q HN 0.764 nan 8.270 nan 0.000 0.433 69 F N -0.371 119.001 119.950 -0.963 0.000 2.975 69 F HA 0.158 4.689 4.527 0.008 0.000 0.311 69 F C 0.590 176.286 175.800 -0.173 0.000 1.239 69 F CA -0.727 56.968 58.000 -0.507 0.000 1.282 69 F CB 0.002 38.789 39.000 -0.354 0.000 1.071 69 F HN 0.094 nan 8.300 nan 0.000 0.516 70 Y N 0.705 120.987 120.300 -0.030 0.000 2.286 70 Y HA -0.126 4.429 4.550 0.008 0.000 0.293 70 Y C 1.734 177.744 175.900 0.184 0.000 1.124 70 Y CA 1.538 59.791 58.100 0.254 0.000 1.178 70 Y CB -0.027 38.540 38.460 0.179 0.000 1.010 70 Y HN 0.064 nan 8.280 nan 0.000 0.536 71 D N 0.476 120.954 120.400 0.131 0.000 2.092 71 D HA -0.221 4.424 4.640 0.008 0.000 0.193 71 D C 1.972 178.273 176.300 0.003 0.000 0.994 71 D CA 2.103 56.130 54.000 0.044 0.000 0.828 71 D CB -0.433 40.437 40.800 0.115 0.000 0.963 71 D HN 0.741 nan 8.370 nan 0.000 0.450 72 E N -0.486 119.758 120.200 0.072 0.000 2.153 72 E HA -0.198 4.157 4.350 0.008 0.000 0.194 72 E C 1.917 178.541 176.600 0.041 0.000 0.988 72 E CA 1.317 57.753 56.400 0.061 0.000 0.811 72 E CB -0.613 29.132 29.700 0.074 0.000 0.746 72 E HN 0.520 nan 8.360 nan 0.000 0.466 73 H N 0.599 119.637 119.070 -0.054 0.000 2.357 73 H HA 0.011 4.572 4.556 0.009 0.000 0.301 73 H C 2.088 177.169 175.328 -0.412 0.000 1.082 73 H CA 1.533 57.489 56.048 -0.152 0.000 1.342 73 H CB 0.220 29.967 29.762 -0.025 0.000 1.389 73 H HN 0.095 nan 8.280 nan 0.000 0.511 74 K N 0.681 120.908 120.400 -0.288 0.000 1.991 74 K HA -0.236 4.089 4.320 0.008 0.000 0.212 74 K C 2.626 179.186 176.600 -0.067 0.000 1.049 74 K CA 2.198 58.298 56.287 -0.311 0.000 0.932 74 K CB -0.272 32.000 32.500 -0.381 0.000 0.717 74 K HN 0.267 nan 8.250 nan 0.000 0.441 75 K N 1.511 121.904 120.400 -0.012 0.000 2.089 75 K HA -0.216 4.109 4.320 0.008 0.000 0.210 75 K C 1.862 178.545 176.600 0.140 0.000 1.048 75 K CA 2.102 58.430 56.287 0.068 0.000 0.926 75 K CB -0.806 31.733 32.500 0.065 0.000 0.714 75 K HN 0.375 nan 8.250 nan 0.000 0.448 76 E N -0.230 120.054 120.200 0.139 0.000 2.106 76 E HA -0.138 4.217 4.350 0.008 0.000 0.192 76 E C 1.959 178.781 176.600 0.370 0.000 0.984 76 E CA 1.213 57.791 56.400 0.296 0.000 0.806 76 E CB -0.342 29.487 29.700 0.214 0.000 0.750 76 E HN 0.874 nan 8.360 nan 0.000 0.458 77 H N 0.709 119.801 119.070 0.037 0.000 2.321 77 H HA -0.047 4.513 4.556 0.007 0.000 0.300 77 H C 2.053 177.507 175.328 0.209 0.000 1.087 77 H CA 0.979 56.866 56.048 -0.268 0.000 1.319 77 H CB 0.207 29.735 29.762 -0.390 0.000 1.379 77 H HN 0.217 nan 8.280 nan 0.000 0.501 78 E N -0.208 120.186 120.200 0.323 0.000 2.160 78 E HA -0.192 4.163 4.350 0.008 0.000 0.195 78 E C 2.486 179.240 176.600 0.257 0.000 0.991 78 E CA 1.242 57.804 56.400 0.270 0.000 0.810 78 E CB -0.161 29.643 29.700 0.174 0.000 0.742 78 E HN 0.634 nan 8.360 nan 0.000 0.466 79 T N 0.627 115.340 114.554 0.265 0.000 2.708 79 T HA -0.169 4.186 4.350 0.008 0.000 0.266 79 T C 1.639 176.448 174.700 0.181 0.000 1.037 79 T CA 1.108 63.355 62.100 0.246 0.000 1.146 79 T CB -0.449 nan 68.868 nan 0.000 0.865 79 T HN 0.045 nan 8.240 nan 0.000 0.435 80 F N 0.802 120.658 119.950 -0.157 0.000 2.325 80 F HA 0.121 4.653 4.527 0.009 0.000 0.299 80 F C 1.969 177.794 175.800 0.042 0.000 1.090 80 F CA 0.139 57.974 58.000 -0.274 0.000 1.392 80 F CB 0.066 38.689 39.000 -0.627 0.000 1.053 80 F HN 0.107 nan 8.300 nan 0.000 0.521 81 I N -0.514 120.204 120.570 0.248 0.000 2.333 81 I HA -0.243 3.932 4.170 0.008 0.000 0.246 81 I C 2.312 178.455 176.117 0.044 0.000 1.106 81 I CA 1.412 62.785 61.300 0.123 0.000 1.411 81 I CB -1.357 36.788 38.000 0.241 0.000 1.082 81 I HN 0.174 nan 8.210 nan 0.000 0.420 82 H N 1.480 120.561 119.070 0.019 0.000 2.353 82 H HA -0.082 4.479 4.556 0.008 0.000 0.300 82 H C 2.174 177.470 175.328 -0.053 0.000 1.090 82 H CA 1.952 57.997 56.048 -0.005 0.000 1.327 82 H CB 0.145 29.920 29.762 0.022 0.000 1.383 82 H HN 0.272 nan 8.280 nan 0.000 0.508 83 A N 0.008 122.788 122.820 -0.067 0.000 1.902 83 A HA -0.111 4.214 4.320 0.008 0.000 0.217 83 A C 2.257 179.803 177.584 -0.062 0.000 1.181 83 A CA 1.558 53.509 52.037 -0.144 0.000 0.623 83 A CB -0.702 18.212 19.000 -0.145 0.000 0.818 83 A HN 0.388 nan 8.150 nan 0.000 0.443 84 L N 0.032 121.109 121.223 -0.244 0.000 2.093 84 L HA -0.117 4.227 4.340 0.008 0.000 0.208 84 L C 1.786 178.537 176.870 -0.198 0.000 1.085 84 L CA 1.833 56.462 54.840 -0.351 0.000 0.755 84 L CB -0.620 41.130 42.059 -0.514 0.000 0.904 84 L HN 0.317 nan 8.230 nan 0.000 0.435 85 D N -0.584 119.717 120.400 -0.165 0.000 2.183 85 D HA -0.074 4.571 4.640 0.008 0.000 0.203 85 D C 0.799 177.021 176.300 -0.131 0.000 0.969 85 D CA 0.987 54.906 54.000 -0.135 0.000 0.842 85 D CB -0.042 40.685 40.800 -0.121 0.000 0.957 85 D HN 0.377 nan 8.370 nan 0.000 0.484 86 N N 0.386 118.974 118.700 -0.187 0.000 2.806 86 N HA 0.005 4.750 4.740 0.008 0.000 0.315 86 N C -0.612 174.859 175.510 -0.065 0.000 1.738 86 N CA -0.246 52.700 53.050 -0.172 0.000 0.993 86 N CB 0.661 38.943 38.487 -0.342 0.000 1.324 86 N HN 0.226 nan 8.380 nan 0.000 0.493 87 W N 1.563 122.727 121.300 -0.228 0.000 2.381 87 W HA -0.016 4.650 4.660 0.009 0.000 0.321 87 W C 0.805 177.223 176.519 -0.169 0.000 1.407 87 W CA 0.213 57.435 57.345 -0.204 0.000 1.274 87 W CB 0.601 29.960 29.460 -0.168 0.000 1.310 87 W HN 0.294 nan 8.180 nan 0.000 0.551 88 K N 3.476 123.474 120.400 -0.670 0.000 2.353 88 K HA 0.274 4.599 4.320 0.008 0.000 0.195 88 K C 1.134 177.276 176.600 -0.763 0.000 1.031 88 K CA 0.649 56.593 56.287 -0.571 0.000 1.079 88 K CB 0.096 32.321 32.500 -0.458 0.000 0.857 88 K HN 1.049 nan 8.250 nan 0.000 0.535 89 G N 0.848 108.744 108.800 -1.506 0.000 2.144 89 G HA2 -0.191 3.773 3.960 0.008 0.000 0.218 89 G HA3 -0.191 3.773 3.960 0.008 0.000 0.218 89 G C -0.164 174.290 174.900 -0.744 0.000 0.988 89 G CA 0.073 44.536 45.100 -1.062 0.000 0.659 89 G HN 0.495 nan 8.290 nan 0.000 0.522 90 D N 1.013 120.848 120.400 -0.941 0.000 2.508 90 D HA 0.532 5.177 4.640 0.008 0.000 0.224 90 D C 1.833 178.095 176.300 -0.062 0.000 1.171 90 D CA 0.739 54.507 54.000 -0.386 0.000 1.006 90 D CB 0.374 40.979 40.800 -0.325 0.000 1.073 90 D HN 0.726 nan 8.370 nan 0.000 0.513 91 V N 3.700 123.657 119.914 0.072 0.000 2.809 91 V HA -0.197 3.928 4.120 0.008 0.000 0.256 91 V C 2.294 178.492 176.094 0.173 0.000 1.080 91 V CA 1.510 63.956 62.300 0.242 0.000 1.102 91 V CB -0.395 31.520 31.823 0.152 0.000 0.705 91 V HN 0.273 nan 8.190 nan 0.000 0.475 92 K N -1.212 119.273 120.400 0.143 0.000 2.007 92 K HA -0.139 4.186 4.320 0.008 0.000 0.206 92 K C 1.870 178.604 176.600 0.224 0.000 1.047 92 K CA 1.772 58.141 56.287 0.138 0.000 0.937 92 K CB -0.331 32.236 32.500 0.110 0.000 0.718 92 K HN 0.841 nan 8.250 nan 0.000 0.438 93 W N 1.372 122.728 121.300 0.093 0.000 2.358 93 W HA -0.225 4.441 4.660 0.009 0.000 0.303 93 W C 1.930 178.625 176.519 0.292 0.000 1.208 93 W CA 1.907 59.355 57.345 0.172 0.000 1.274 93 W CB -0.282 29.255 29.460 0.128 0.000 1.138 93 W HN 0.081 nan 8.180 nan 0.000 0.515 94 A N 1.075 124.214 122.820 0.532 0.000 1.917 94 A HA -0.277 4.048 4.320 0.008 0.000 0.219 94 A C 1.976 179.624 177.584 0.107 0.000 1.182 94 A CA 2.305 54.575 52.037 0.389 0.000 0.633 94 A CB -0.846 18.534 19.000 0.633 0.000 0.819 94 A HN 0.440 nan 8.150 nan 0.000 0.448 95 K N 0.038 120.424 120.400 -0.023 0.000 2.097 95 K HA -0.119 4.206 4.320 0.008 0.000 0.206 95 K C 2.430 179.073 176.600 0.072 0.000 1.049 95 K CA 1.672 57.821 56.287 -0.230 0.000 0.933 95 K CB -0.203 32.104 32.500 -0.321 0.000 0.717 95 K HN 0.705 nan 8.250 nan 0.000 0.442 96 S N -0.030 115.702 115.700 0.054 0.000 2.388 96 S HA -0.136 4.339 4.470 0.008 0.000 0.223 96 S C 1.809 176.399 174.600 -0.018 0.000 1.034 96 S CA 0.086 58.324 58.200 0.062 0.000 0.963 96 S CB -0.715 62.521 63.200 0.060 0.000 0.827 96 S HN 0.499 nan 8.310 nan 0.000 0.481 97 W N 1.383 122.459 121.300 -0.373 0.000 2.318 97 W HA -0.215 4.450 4.660 0.008 0.000 0.313 97 W C 2.273 178.620 176.519 -0.286 0.000 1.221 97 W CA 1.727 58.798 57.345 -0.456 0.000 1.266 97 W CB -0.576 28.296 29.460 -0.981 0.000 1.150 97 W HN 0.350 nan 8.180 nan 0.000 0.496 98 Y N 0.081 120.365 120.300 -0.026 0.000 2.163 98 Y HA -0.230 4.324 4.550 0.008 0.000 0.288 98 Y C 2.351 178.143 175.900 -0.180 0.000 1.136 98 Y CA 2.301 60.314 58.100 -0.145 0.000 1.147 98 Y CB -1.001 37.280 38.460 -0.299 0.000 0.987 98 Y HN -0.184 nan 8.280 nan 0.000 0.509 99 V N 1.048 120.894 119.914 -0.114 0.000 2.392 99 V HA -0.339 3.786 4.120 0.008 0.000 0.249 99 V C 2.058 178.026 176.094 -0.211 0.000 1.059 99 V CA 2.300 64.569 62.300 -0.051 0.000 1.051 99 V CB -0.595 31.362 31.823 0.223 0.000 0.658 99 V HN 0.513 nan 8.190 nan 0.000 0.455 100 N N -1.102 117.453 118.700 -0.242 0.000 2.354 100 N HA -0.132 4.613 4.740 0.008 0.000 0.179 100 N C 1.790 176.992 175.510 -0.512 0.000 1.021 100 N CA 1.082 53.944 53.050 -0.313 0.000 0.887 100 N CB -0.092 38.291 38.487 -0.173 0.000 0.974 100 N HN 0.650 nan 8.380 nan 0.000 0.437 101 H N 1.839 120.466 119.070 -0.739 0.000 2.299 101 H HA 0.055 4.616 4.556 0.008 0.000 0.302 101 H C 2.166 177.125 175.328 -0.616 0.000 1.078 101 H CA 1.319 56.897 56.048 -0.784 0.000 1.323 101 H CB -0.379 28.872 29.762 -0.852 0.000 1.381 101 H HN 0.119 nan 8.280 nan 0.000 0.498 102 I N 0.247 120.394 120.570 -0.706 0.000 2.127 102 I HA -0.284 3.891 4.170 0.008 0.000 0.241 102 I C 1.763 177.299 176.117 -0.967 0.000 1.075 102 I CA 1.796 62.668 61.300 -0.714 0.000 1.334 102 I CB -0.175 37.410 38.000 -0.691 0.000 1.040 102 I HN 0.268 nan 8.210 nan 0.000 0.405 103 K N -0.375 119.315 120.400 -1.183 0.000 2.217 103 K HA -0.106 4.219 4.320 0.008 0.000 0.202 103 K C 1.858 177.795 176.600 -1.105 0.000 1.051 103 K CA 1.777 56.994 56.287 -1.782 0.000 0.952 103 K CB -0.049 31.210 32.500 -2.070 0.000 0.736 103 K HN 0.592 nan 8.250 nan 0.000 0.453 104 T N -1.965 112.168 114.554 -0.701 0.000 3.018 104 T HA 0.130 4.485 4.350 0.008 0.000 0.246 104 T C 1.718 176.200 174.700 -0.364 0.000 1.026 104 T CA -0.077 61.808 62.100 -0.359 0.000 1.081 104 T CB 0.211 68.955 68.868 -0.206 0.000 0.970 104 T HN -0.127 nan 8.240 nan 0.000 0.475 105 I N 1.600 121.841 120.570 -0.547 0.000 2.810 105 I HA 0.190 4.365 4.170 0.008 0.000 0.262 105 I C 1.824 177.568 176.117 -0.621 0.000 1.131 105 I CA 0.672 61.604 61.300 -0.613 0.000 1.453 105 I CB -0.831 36.670 38.000 -0.830 0.000 1.161 105 I HN 0.145 nan 8.210 nan 0.000 0.444 106 D N 1.274 121.268 120.400 -0.676 0.000 2.097 106 D HA -0.122 4.523 4.640 0.008 0.000 0.197 106 D C 2.280 178.152 176.300 -0.714 0.000 0.984 106 D CA 1.254 54.862 54.000 -0.653 0.000 0.826 106 D CB -0.392 40.233 40.800 -0.292 0.000 0.973 106 D HN 0.237 nan 8.370 nan 0.000 0.460 107 F N 1.161 120.780 119.950 -0.551 0.000 2.236 107 F HA -0.277 4.256 4.527 0.011 0.000 0.302 107 F C 2.730 178.400 175.800 -0.217 0.000 1.073 107 F CA 1.046 58.838 58.000 -0.347 0.000 1.336 107 F CB -0.083 38.758 39.000 -0.265 0.000 1.040 107 F HN 0.052 nan 8.300 nan 0.000 0.507 108 K N 0.803 121.196 120.400 -0.012 0.000 2.103 108 K HA -0.235 4.090 4.320 0.008 0.000 0.207 108 K C 1.388 178.170 176.600 0.302 0.000 1.048 108 K CA 1.814 58.173 56.287 0.119 0.000 0.930 108 K CB -2.020 30.537 32.500 0.096 0.000 0.716 108 K HN 0.671 nan 8.250 nan 0.000 0.444 109 Y N 0.778 121.221 120.300 0.237 0.000 2.578 109 Y HA 0.324 4.880 4.550 0.010 0.000 0.297 109 Y C 0.212 176.221 175.900 0.182 0.000 1.176 109 Y CA -0.793 57.306 58.100 -0.001 0.000 1.315 109 Y CB -1.064 37.086 38.460 -0.518 0.000 1.031 109 Y HN 0.096 nan 8.280 nan 0.000 0.524 110 K N 1.602 122.226 120.400 0.373 0.000 2.430 110 K HA 0.221 4.546 4.320 0.008 0.000 0.280 110 K C 1.218 177.976 176.600 0.264 0.000 1.063 110 K CA 0.946 57.418 56.287 0.309 0.000 1.071 110 K CB -0.216 32.303 32.500 0.032 0.000 0.899 110 K HN 0.643 nan 8.250 nan 0.000 0.473 111 G N 3.021 111.996 108.800 0.291 0.000 2.162 111 G HA2 -0.326 3.639 3.960 0.008 0.000 0.260 111 G HA3 -0.326 3.639 3.960 0.008 0.000 0.260 111 G C 0.546 175.601 174.900 0.257 0.000 0.976 111 G CA 0.401 45.632 45.100 0.219 0.000 0.655 111 G HN 0.659 nan 8.290 nan 0.000 0.533 112 K N -0.404 120.189 120.400 0.322 0.000 2.374 112 K HA 0.462 4.787 4.320 0.008 0.000 0.202 112 K C 1.075 177.766 176.600 0.151 0.000 1.040 112 K CA 0.658 57.102 56.287 0.262 0.000 1.085 112 K CB 0.520 33.258 32.500 0.396 0.000 0.873 112 K HN 0.745 nan 8.250 nan 0.000 0.539 113 I N 0.000 120.614 120.570 0.073 0.000 2.984 113 I HA 0.000 4.175 4.170 0.008 0.000 0.288 113 I CA 0.000 61.214 61.300 -0.144 0.000 1.566 113 I CB 0.000 37.729 38.000 -0.452 0.000 1.214 113 I HN 0.000 nan 8.210 nan 0.000 0.494