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 2wh2_1_W DATA FIRST_RESID 1 DATA SEQUENCE MEAKAIARYV RISPRKVRLV VDLIRGKSLE EARNILRYTN KRGAYFVAKV DATA SEQUENCE LESAAANAVN NHDMLEDRLY VKAAYVDEGP ALKRVLPRAR GRADIIKKRT DATA SEQUENCE SHITVILGEK HGK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.311 176.300 0.019 0.000 1.140 1 M CA 0.000 55.323 55.300 0.039 0.000 0.988 1 M CB 0.000 32.632 32.600 0.054 0.000 1.302 2 E N 1.689 121.875 120.200 -0.022 0.000 2.390 2 E HA 0.847 5.197 4.350 0.000 0.000 0.280 2 E C -1.950 174.543 176.600 -0.178 0.000 0.992 2 E CA -1.210 55.152 56.400 -0.063 0.000 0.790 2 E CB 1.867 31.550 29.700 -0.029 0.000 1.248 2 E HN 0.938 nan 8.360 nan 0.000 0.447 3 A N 2.412 125.112 122.820 -0.200 0.000 2.335 3 A HA 0.493 4.813 4.320 0.000 0.000 0.304 3 A C -0.624 176.866 177.584 -0.156 0.000 1.118 3 A CA -0.851 51.018 52.037 -0.280 0.000 0.757 3 A CB 1.156 19.935 19.000 -0.369 0.000 1.188 3 A HN 0.489 nan 8.150 nan 0.000 0.460 4 K N 0.802 121.134 120.400 -0.113 0.000 2.138 4 K HA 0.557 4.877 4.320 0.000 0.000 0.251 4 K C 0.802 177.363 176.600 -0.065 0.000 1.015 4 K CA 0.458 56.701 56.287 -0.073 0.000 0.917 4 K CB 1.437 33.917 32.500 -0.033 0.000 1.021 4 K HN 0.775 nan 8.250 nan 0.000 0.485 5 A N 1.910 124.692 122.820 -0.064 0.000 2.195 5 A HA 0.437 4.757 4.320 0.000 0.000 0.212 5 A C -0.352 177.206 177.584 -0.043 0.000 2.368 5 A CA -0.242 51.763 52.037 -0.054 0.000 1.424 5 A CB -0.034 18.926 19.000 -0.067 0.000 1.095 5 A HN 0.763 nan 8.150 nan 0.000 0.516 6 I N -1.128 119.418 120.570 -0.040 0.000 7.754 6 I HA -0.104 4.066 4.170 0.000 0.000 0.126 6 I C -0.289 175.795 176.117 -0.054 0.000 1.845 6 I CA 0.354 61.637 61.300 -0.028 0.000 2.038 6 I CB -1.247 36.737 38.000 -0.027 0.000 3.707 6 I HN 0.737 nan 8.210 nan 0.000 0.169 7 A N 7.491 130.283 122.820 -0.046 0.000 2.431 7 A HA 0.740 5.060 4.320 0.000 0.000 0.318 7 A C 0.196 177.734 177.584 -0.076 0.000 1.330 7 A CA -0.660 51.335 52.037 -0.070 0.000 0.804 7 A CB 0.651 19.620 19.000 -0.052 0.000 1.135 7 A HN 0.612 nan 8.150 nan 0.000 0.483 8 R N 0.900 121.292 120.500 -0.179 0.000 2.560 8 R HA 0.453 4.793 4.340 0.000 0.000 0.270 8 R C -0.610 175.702 176.300 0.019 0.000 1.074 8 R CA -0.617 55.328 56.100 -0.259 0.000 1.140 8 R CB 0.342 30.236 30.300 -0.676 0.000 1.073 8 R HN 0.731 nan 8.270 nan 0.000 0.527 9 Y N -1.595 118.750 120.300 0.074 0.000 3.234 9 Y HA -0.196 4.354 4.550 0.000 0.000 0.207 9 Y C -0.404 175.469 175.900 -0.046 0.000 1.316 9 Y CA -0.708 57.434 58.100 0.071 0.000 1.309 9 Y CB -1.616 36.850 38.460 0.010 0.000 1.408 9 Y HN 0.247 nan 8.280 nan 0.000 0.544 10 V N 1.903 121.843 119.914 0.044 0.000 2.368 10 V HA 0.145 4.265 4.120 0.000 0.000 0.266 10 V C 1.045 177.002 176.094 -0.228 0.000 1.045 10 V CA -0.715 61.447 62.300 -0.230 0.000 0.899 10 V CB 1.290 32.838 31.823 -0.459 0.000 1.006 10 V HN 0.249 nan 8.190 nan 0.000 0.470 11 R N 5.414 125.803 120.500 -0.184 0.000 2.710 11 R HA 0.275 4.615 4.340 0.000 0.000 0.301 11 R C -0.655 175.586 176.300 -0.099 0.000 1.331 11 R CA 0.401 56.440 56.100 -0.103 0.000 0.996 11 R CB -0.716 29.562 30.300 -0.036 0.000 1.075 11 R HN 0.796 nan 8.270 nan 0.000 0.500 12 I N 0.456 120.973 120.570 -0.088 0.000 2.718 12 I HA -0.024 4.146 4.170 0.000 0.000 0.287 12 I C -0.909 175.192 176.117 -0.027 0.000 1.645 12 I CA -0.291 60.994 61.300 -0.025 0.000 1.030 12 I CB 1.898 39.899 38.000 0.001 0.000 1.470 12 I HN 0.326 nan 8.210 nan 0.000 0.455 13 S N 7.055 122.754 115.700 -0.002 0.000 2.560 13 S HA 0.306 4.776 4.470 0.000 0.000 0.284 13 S C -1.812 172.785 174.600 -0.004 0.000 1.327 13 S CA -0.498 57.696 58.200 -0.011 0.000 1.055 13 S CB 1.164 64.363 63.200 -0.001 0.000 0.868 13 S HN 0.544 nan 8.310 nan 0.000 0.506 14 P HA -0.083 nan 4.420 nan 0.000 0.213 14 P C 1.410 178.717 177.300 0.011 0.000 1.170 14 P CA 1.328 64.423 63.100 -0.007 0.000 0.898 14 P CB 0.045 31.729 31.700 -0.027 0.000 0.787 15 R N -0.182 120.321 120.500 0.006 0.000 2.153 15 R HA -0.201 4.139 4.340 0.000 0.000 0.252 15 R C 2.153 178.468 176.300 0.024 0.000 1.158 15 R CA 1.494 57.602 56.100 0.013 0.000 0.975 15 R CB -0.540 29.765 30.300 0.007 0.000 0.871 15 R HN 0.228 nan 8.270 nan 0.000 0.450 16 K N 0.201 120.619 120.400 0.029 0.000 2.002 16 K HA -0.131 4.189 4.320 0.000 0.000 0.209 16 K C 2.265 178.898 176.600 0.055 0.000 1.048 16 K CA 1.843 58.156 56.287 0.044 0.000 0.930 16 K CB -0.784 31.748 32.500 0.055 0.000 0.714 16 K HN 0.297 nan 8.250 nan 0.000 0.438 17 V N -0.517 119.434 119.914 0.062 0.000 2.591 17 V HA -0.083 4.037 4.120 0.000 0.000 0.249 17 V C 2.241 178.368 176.094 0.055 0.000 1.053 17 V CA 0.943 63.287 62.300 0.073 0.000 1.068 17 V CB -0.578 31.297 31.823 0.085 0.000 0.689 17 V HN 0.124 nan 8.190 nan 0.000 0.462 18 R N -0.169 120.359 120.500 0.046 0.000 2.133 18 R HA -0.153 4.187 4.340 0.000 0.000 0.247 18 R C 2.182 178.505 176.300 0.038 0.000 1.151 18 R CA 1.963 58.089 56.100 0.043 0.000 0.971 18 R CB -0.734 29.588 30.300 0.035 0.000 0.866 18 R HN 0.406 nan 8.270 nan 0.000 0.447 19 L N -0.048 121.197 121.223 0.037 0.000 2.127 19 L HA -0.162 4.178 4.340 0.000 0.000 0.211 19 L C 2.117 179.008 176.870 0.034 0.000 1.089 19 L CA 1.470 56.330 54.840 0.033 0.000 0.757 19 L CB -0.412 41.666 42.059 0.033 0.000 0.899 19 L HN 0.018 nan 8.230 nan 0.000 0.434 20 V N -2.207 117.731 119.914 0.040 0.000 2.331 20 V HA -0.145 3.975 4.120 0.000 0.000 0.242 20 V C 2.377 178.488 176.094 0.029 0.000 1.034 20 V CA 0.994 63.317 62.300 0.038 0.000 1.027 20 V CB -0.363 31.489 31.823 0.049 0.000 0.667 20 V HN 0.144 nan 8.190 nan 0.000 0.457 21 V N 0.939 120.870 119.914 0.029 0.000 2.250 21 V HA -0.358 3.762 4.120 0.000 0.000 0.250 21 V C 2.342 178.440 176.094 0.007 0.000 1.060 21 V CA 2.518 64.825 62.300 0.013 0.000 1.030 21 V CB -0.935 30.899 31.823 0.019 0.000 0.643 21 V HN 0.556 nan 8.190 nan 0.000 0.445 22 D N -0.247 120.164 120.400 0.018 0.000 2.203 22 D HA -0.177 4.463 4.640 0.000 0.000 0.199 22 D C 1.764 178.072 176.300 0.012 0.000 0.997 22 D CA 1.028 55.037 54.000 0.016 0.000 0.863 22 D CB -0.377 40.436 40.800 0.022 0.000 0.928 22 D HN 0.331 nan 8.370 nan 0.000 0.458 23 L N 0.446 121.678 121.223 0.016 0.000 2.551 23 L HA 0.039 4.379 4.340 0.000 0.000 0.228 23 L C 1.677 178.555 176.870 0.013 0.000 1.153 23 L CA 0.906 55.757 54.840 0.018 0.000 0.851 23 L CB -0.199 41.875 42.059 0.024 0.000 0.959 23 L HN 0.205 nan 8.230 nan 0.000 0.451 24 I N -4.887 115.684 120.570 0.002 0.000 4.557 24 I HA 0.223 4.393 4.170 0.000 0.000 0.333 24 I C 0.919 177.020 176.117 -0.026 0.000 1.332 24 I CA -0.593 60.704 61.300 -0.005 0.000 1.240 24 I CB -0.089 37.905 38.000 -0.009 0.000 1.312 24 I HN -0.108 nan 8.210 nan 0.000 0.457 25 R N 2.992 123.473 120.500 -0.031 0.000 2.504 25 R HA 0.192 4.532 4.340 0.000 0.000 0.291 25 R C 0.875 177.144 176.300 -0.053 0.000 0.974 25 R CA 1.415 57.482 56.100 -0.056 0.000 1.077 25 R CB -0.020 30.258 30.300 -0.037 0.000 0.926 25 R HN 0.599 nan 8.270 nan 0.000 0.407 26 G N 4.025 112.762 108.800 -0.106 0.000 2.351 26 G HA2 -0.300 3.660 3.960 0.000 0.000 0.297 26 G HA3 -0.300 3.660 3.960 0.000 0.000 0.297 26 G C -0.774 174.139 174.900 0.021 0.000 1.054 26 G CA 0.444 45.491 45.100 -0.087 0.000 1.123 26 G HN 0.607 nan 8.290 nan 0.000 0.512 27 K N 0.105 120.522 120.400 0.029 0.000 2.501 27 K HA 0.541 4.861 4.320 0.000 0.000 0.252 27 K C 0.509 177.182 176.600 0.121 0.000 0.934 27 K CA -0.349 55.987 56.287 0.081 0.000 0.797 27 K CB 1.823 34.349 32.500 0.043 0.000 1.270 27 K HN 0.670 nan 8.250 nan 0.000 0.431 28 S N 2.054 117.838 115.700 0.139 0.000 2.715 28 S HA -0.119 4.351 4.470 0.000 0.000 0.318 28 S C 1.297 175.956 174.600 0.098 0.000 1.242 28 S CA -0.420 57.860 58.200 0.134 0.000 1.044 28 S CB 0.224 63.473 63.200 0.082 0.000 0.760 28 S HN 0.688 nan 8.310 nan 0.000 0.501 29 L N 2.654 123.940 121.223 0.105 0.000 2.010 29 L HA -0.227 4.113 4.340 0.000 0.000 0.219 29 L C 2.454 179.353 176.870 0.047 0.000 1.077 29 L CA 2.717 57.596 54.840 0.065 0.000 0.773 29 L CB -1.252 40.842 42.059 0.060 0.000 0.892 29 L HN 1.012 nan 8.230 nan 0.000 0.436 30 E N -0.766 119.462 120.200 0.048 0.000 2.049 30 E HA -0.342 4.008 4.350 0.000 0.000 0.198 30 E C 2.061 178.686 176.600 0.042 0.000 1.007 30 E CA 1.518 57.942 56.400 0.040 0.000 0.809 30 E CB -0.259 29.464 29.700 0.039 0.000 0.749 30 E HN 0.676 nan 8.360 nan 0.000 0.450 31 E N 0.563 120.790 120.200 0.045 0.000 2.055 31 E HA -0.298 4.052 4.350 0.000 0.000 0.209 31 E C 1.863 178.489 176.600 0.043 0.000 1.036 31 E CA 2.178 58.605 56.400 0.045 0.000 0.849 31 E CB -0.654 29.074 29.700 0.046 0.000 0.767 31 E HN 0.362 nan 8.360 nan 0.000 0.461 32 A N 0.858 123.700 122.820 0.037 0.000 1.896 32 A HA -0.348 3.972 4.320 0.000 0.000 0.220 32 A C 2.275 179.875 177.584 0.027 0.000 1.206 32 A CA 2.536 54.589 52.037 0.027 0.000 0.647 32 A CB -0.891 18.119 19.000 0.016 0.000 0.828 32 A HN 0.368 nan 8.150 nan 0.000 0.455 33 R N -0.649 119.867 120.500 0.026 0.000 2.117 33 R HA -0.175 4.165 4.340 0.000 0.000 0.243 33 R C 2.094 178.410 176.300 0.026 0.000 1.143 33 R CA 1.700 57.812 56.100 0.020 0.000 0.968 33 R CB -0.603 29.709 30.300 0.020 0.000 0.863 33 R HN 0.751 nan 8.270 nan 0.000 0.444 34 N N 0.476 119.206 118.700 0.051 0.000 2.062 34 N HA -0.100 4.640 4.740 0.000 0.000 0.191 34 N C 1.973 177.548 175.510 0.108 0.000 1.042 34 N CA 0.963 54.069 53.050 0.092 0.000 0.845 34 N CB -0.089 38.455 38.487 0.094 0.000 1.024 34 N HN 0.077 nan 8.380 nan 0.000 0.424 35 I N 1.609 122.227 120.570 0.080 0.000 2.053 35 I HA -0.355 3.815 4.170 0.000 0.000 0.236 35 I C 2.198 178.352 176.117 0.063 0.000 1.038 35 I CA 1.365 62.710 61.300 0.076 0.000 1.304 35 I CB -0.546 37.485 38.000 0.050 0.000 1.023 35 I HN 0.188 nan 8.210 nan 0.000 0.395 36 L N -0.002 121.240 121.223 0.032 0.000 1.997 36 L HA -0.296 4.044 4.340 0.000 0.000 0.216 36 L C 2.748 179.603 176.870 -0.024 0.000 1.074 36 L CA 1.635 56.483 54.840 0.012 0.000 0.763 36 L CB -0.832 41.231 42.059 0.007 0.000 0.890 36 L HN 0.276 nan 8.230 nan 0.000 0.434 37 R N 0.122 120.586 120.500 -0.059 0.000 2.159 37 R HA -0.253 4.087 4.340 0.000 0.000 0.252 37 R C 1.360 177.423 176.300 -0.395 0.000 1.144 37 R CA 2.050 58.021 56.100 -0.215 0.000 0.961 37 R CB -0.532 29.647 30.300 -0.202 0.000 0.877 37 R HN 0.376 nan 8.270 nan 0.000 0.444 38 Y N -0.537 119.765 120.300 0.004 0.000 2.681 38 Y HA 0.343 4.893 4.550 0.000 0.000 0.267 38 Y C -0.279 175.623 175.900 0.003 0.000 1.166 38 Y CA -0.231 57.869 58.100 0.001 0.000 1.209 38 Y CB 0.582 39.043 38.460 0.001 0.000 1.161 38 Y HN -0.097 nan 8.280 nan 0.000 0.534 39 T N 0.730 115.335 114.554 0.084 0.000 2.806 39 T HA 0.037 4.387 4.350 0.000 0.000 0.290 39 T C 0.259 174.985 174.700 0.045 0.000 0.966 39 T CA -0.480 61.660 62.100 0.066 0.000 1.060 39 T CB 0.373 69.269 68.868 0.046 0.000 0.927 39 T HN 0.156 nan 8.240 nan 0.000 0.485 40 N N 4.056 122.785 118.700 0.048 0.000 3.298 40 N HA 0.117 4.857 4.740 0.000 0.000 0.292 40 N C -0.894 174.633 175.510 0.028 0.000 1.271 40 N CA -0.210 52.861 53.050 0.035 0.000 1.184 40 N CB -0.148 38.362 38.487 0.039 0.000 1.452 40 N HN 0.328 nan 8.380 nan 0.000 0.534 41 K N 0.685 121.099 120.400 0.024 0.000 2.542 41 K HA 0.126 4.446 4.320 0.000 0.000 0.259 41 K C 0.368 176.985 176.600 0.029 0.000 0.932 41 K CA -0.627 55.678 56.287 0.031 0.000 0.820 41 K CB 1.465 33.990 32.500 0.041 0.000 1.345 41 K HN 0.179 nan 8.250 nan 0.000 0.432 42 R N 1.226 121.749 120.500 0.038 0.000 2.139 42 R HA -0.141 4.199 4.340 0.000 0.000 0.243 42 R C 1.581 177.906 176.300 0.041 0.000 1.145 42 R CA 2.397 58.517 56.100 0.034 0.000 0.976 42 R CB -0.420 29.930 30.300 0.083 0.000 0.866 42 R HN 0.853 nan 8.270 nan 0.000 0.449 43 G N -0.145 108.717 108.800 0.104 0.000 2.422 43 G HA2 -0.269 3.691 3.960 0.000 0.000 0.218 43 G HA3 -0.269 3.691 3.960 0.000 0.000 0.218 43 G C 1.513 176.470 174.900 0.095 0.000 1.146 43 G CA 0.691 45.887 45.100 0.160 0.000 0.769 43 G HN 0.485 nan 8.290 nan 0.000 0.547 44 A N 0.625 123.475 122.820 0.050 0.000 1.869 44 A HA -0.224 4.096 4.320 0.000 0.000 0.218 44 A C 2.205 179.811 177.584 0.037 0.000 1.203 44 A CA 2.086 54.145 52.037 0.037 0.000 0.638 44 A CB -1.033 17.979 19.000 0.020 0.000 0.831 44 A HN 0.542 nan 8.150 nan 0.000 0.450 45 Y N 0.028 120.222 120.300 -0.177 0.000 2.069 45 Y HA -0.294 4.256 4.550 0.000 0.000 0.278 45 Y C 1.945 177.726 175.900 -0.198 0.000 1.175 45 Y CA 1.876 59.819 58.100 -0.262 0.000 1.134 45 Y CB -1.067 37.121 38.460 -0.453 0.000 0.965 45 Y HN 0.273 nan 8.280 nan 0.000 0.498 46 F N -0.606 119.176 119.950 -0.280 0.000 2.102 46 F HA -0.181 4.346 4.527 0.000 0.000 0.298 46 F C 2.622 178.316 175.800 -0.176 0.000 1.105 46 F CA 1.597 59.382 58.000 -0.359 0.000 1.239 46 F CB -1.415 37.454 39.000 -0.219 0.000 0.991 46 F HN -0.101 nan 8.300 nan 0.000 0.474 47 V N 0.251 120.225 119.914 0.101 0.000 2.287 47 V HA -0.332 3.788 4.120 0.000 0.000 0.248 47 V C 2.649 178.754 176.094 0.018 0.000 1.053 47 V CA 1.741 64.071 62.300 0.050 0.000 1.027 47 V CB -1.548 30.302 31.823 0.044 0.000 0.646 47 V HN 0.370 nan 8.190 nan 0.000 0.447 48 A N -0.224 122.608 122.820 0.020 0.000 1.869 48 A HA -0.311 4.009 4.320 0.000 0.000 0.218 48 A C 2.300 179.894 177.584 0.017 0.000 1.203 48 A CA 2.311 54.362 52.037 0.023 0.000 0.638 48 A CB -0.653 18.377 19.000 0.050 0.000 0.831 48 A HN 0.419 nan 8.150 nan 0.000 0.450 49 K N -0.708 119.696 120.400 0.007 0.000 2.049 49 K HA -0.209 4.111 4.320 0.000 0.000 0.219 49 K C 2.107 178.707 176.600 -0.001 0.000 1.056 49 K CA 1.879 58.168 56.287 0.003 0.000 0.946 49 K CB -1.233 31.237 32.500 -0.050 0.000 0.723 49 K HN 0.548 nan 8.250 nan 0.000 0.453 50 V N 1.667 121.576 119.914 -0.009 0.000 2.453 50 V HA -0.118 4.002 4.120 0.000 0.000 0.247 50 V C 2.159 178.239 176.094 -0.024 0.000 1.048 50 V CA 1.259 63.547 62.300 -0.018 0.000 1.049 50 V CB -0.342 31.467 31.823 -0.024 0.000 0.672 50 V HN 0.329 nan 8.190 nan 0.000 0.457 51 L N 0.132 121.343 121.223 -0.020 0.000 2.127 51 L HA -0.157 4.183 4.340 0.000 0.000 0.211 51 L C 2.357 179.218 176.870 -0.016 0.000 1.089 51 L CA 2.717 57.542 54.840 -0.025 0.000 0.757 51 L CB -0.778 41.271 42.059 -0.016 0.000 0.899 51 L HN 0.477 nan 8.230 nan 0.000 0.434 52 E N -0.341 119.856 120.200 -0.005 0.000 2.051 52 E HA -0.149 4.201 4.350 0.000 0.000 0.189 52 E C 2.378 178.976 176.600 -0.002 0.000 0.979 52 E CA 1.335 57.736 56.400 0.001 0.000 0.803 52 E CB -0.147 29.559 29.700 0.011 0.000 0.761 52 E HN 0.398 nan 8.360 nan 0.000 0.451 53 S N -0.371 115.326 115.700 -0.005 0.000 2.402 53 S HA -0.222 4.248 4.470 0.000 0.000 0.233 53 S C 1.938 176.530 174.600 -0.014 0.000 1.030 53 S CA 1.382 59.578 58.200 -0.006 0.000 1.003 53 S CB -0.396 62.798 63.200 -0.011 0.000 0.813 53 S HN 0.368 nan 8.310 nan 0.000 0.477 54 A N 1.710 124.514 122.820 -0.026 0.000 1.841 54 A HA 0.111 4.431 4.320 0.000 0.000 0.216 54 A C 2.540 180.104 177.584 -0.033 0.000 1.199 54 A CA 2.163 54.175 52.037 -0.042 0.000 0.621 54 A CB -1.720 17.247 19.000 -0.056 0.000 0.835 54 A HN 0.815 nan 8.150 nan 0.000 0.445 55 A N -0.189 122.619 122.820 -0.020 0.000 1.869 55 A HA -0.025 4.295 4.320 0.000 0.000 0.218 55 A C 2.589 180.173 177.584 0.001 0.000 1.203 55 A CA 3.225 55.258 52.037 -0.007 0.000 0.638 55 A CB -1.447 17.555 19.000 0.003 0.000 0.831 55 A HN 1.380 nan 8.150 nan 0.000 0.450 56 A N 0.110 122.934 122.820 0.006 0.000 1.870 56 A HA -0.337 3.983 4.320 0.000 0.000 0.219 56 A C 1.920 179.521 177.584 0.028 0.000 1.224 56 A CA 2.202 54.249 52.037 0.015 0.000 0.650 56 A CB -1.312 17.696 19.000 0.013 0.000 0.836 56 A HN 0.770 nan 8.150 nan 0.000 0.454 57 N N -0.052 118.663 118.700 0.025 0.000 2.094 57 N HA -0.145 4.595 4.740 0.000 0.000 0.191 57 N C 2.015 177.570 175.510 0.075 0.000 1.023 57 N CA 1.045 54.130 53.050 0.058 0.000 0.857 57 N CB -0.310 38.198 38.487 0.035 0.000 1.013 57 N HN 0.563 nan 8.380 nan 0.000 0.426 58 A N 0.808 123.619 122.820 -0.015 0.000 1.873 58 A HA -0.140 4.180 4.320 0.000 0.000 0.218 58 A C 2.315 179.924 177.584 0.041 0.000 1.193 58 A CA 1.535 53.538 52.037 -0.058 0.000 0.629 58 A CB -0.875 18.093 19.000 -0.053 0.000 0.826 58 A HN 0.212 nan 8.150 nan 0.000 0.447 59 V N -0.262 119.680 119.914 0.046 0.000 3.235 59 V HA -0.040 4.080 4.120 0.000 0.000 0.259 59 V C 1.616 177.749 176.094 0.064 0.000 1.133 59 V CA 1.710 64.042 62.300 0.053 0.000 1.128 59 V CB -0.687 31.154 31.823 0.031 0.000 0.757 59 V HN 0.586 nan 8.190 nan 0.000 0.469 60 N N 0.489 119.234 118.700 0.075 0.000 2.402 60 N HA 0.054 4.794 4.740 0.000 0.000 0.174 60 N C 1.309 176.855 175.510 0.060 0.000 1.027 60 N CA 1.096 54.180 53.050 0.057 0.000 0.891 60 N CB -0.076 38.437 38.487 0.042 0.000 1.016 60 N HN 0.573 nan 8.380 nan 0.000 0.439 61 N N -1.029 117.751 118.700 0.133 0.000 2.184 61 N HA 0.088 4.828 4.740 0.000 0.000 0.206 61 N C -0.314 175.067 175.510 -0.215 0.000 1.151 61 N CA 0.218 53.268 53.050 -0.001 0.000 0.878 61 N CB 0.491 38.977 38.487 -0.002 0.000 1.014 61 N HN 0.265 nan 8.380 nan 0.000 0.512 62 H N -0.215 118.855 119.070 -0.000 0.000 3.394 62 H HA 0.018 4.574 4.556 0.000 0.000 0.256 62 H C -0.782 174.546 175.328 0.000 0.000 1.180 62 H CA -0.841 55.207 56.048 0.001 0.000 1.064 62 H CB -0.062 29.702 29.762 0.003 0.000 1.854 62 H HN 0.151 nan 8.280 nan 0.000 0.731 63 D N 1.280 121.746 120.400 0.110 0.000 2.859 63 D HA -0.272 4.368 4.640 0.000 0.000 0.215 63 D C 0.428 176.761 176.300 0.055 0.000 1.253 63 D CA 0.503 54.539 54.000 0.060 0.000 0.673 63 D CB -0.977 39.842 40.800 0.031 0.000 0.941 63 D HN 0.524 nan 8.370 nan 0.000 0.394 64 M N 0.180 119.815 119.600 0.058 0.000 2.561 64 M HA 0.122 4.602 4.480 0.000 0.000 0.238 64 M C 1.063 177.371 176.300 0.013 0.000 1.131 64 M CA -0.100 55.221 55.300 0.034 0.000 1.046 64 M CB 0.214 32.829 32.600 0.025 0.000 1.532 64 M HN 0.423 nan 8.290 nan 0.000 0.497 65 L N 1.468 122.700 121.223 0.014 0.000 2.794 65 L HA -0.251 4.089 4.340 0.000 0.000 0.613 65 L C 0.925 177.798 176.870 0.005 0.000 1.002 65 L CA -0.150 54.691 54.840 0.003 0.000 1.323 65 L CB -0.032 42.019 42.059 -0.013 0.000 1.787 65 L HN 0.461 nan 8.230 nan 0.000 0.859 66 E N 2.769 122.976 120.200 0.011 0.000 2.082 66 E HA -0.298 4.052 4.350 0.000 0.000 0.215 66 E C 0.996 177.606 176.600 0.017 0.000 1.048 66 E CA 2.462 58.871 56.400 0.016 0.000 0.869 66 E CB 0.014 29.724 29.700 0.016 0.000 0.773 66 E HN 0.846 nan 8.360 nan 0.000 0.466 67 D N -0.462 119.946 120.400 0.012 0.000 2.397 67 D HA -0.173 4.467 4.640 0.000 0.000 0.219 67 D C 1.424 177.731 176.300 0.011 0.000 0.975 67 D CA 0.659 54.668 54.000 0.015 0.000 0.940 67 D CB -0.016 40.791 40.800 0.011 0.000 0.884 67 D HN 0.144 nan 8.370 nan 0.000 0.505 68 R N -0.305 120.192 120.500 -0.005 0.000 2.397 68 R HA 0.215 4.555 4.340 0.000 0.000 0.241 68 R C 0.709 177.009 176.300 -0.001 0.000 0.914 68 R CA -0.195 55.885 56.100 -0.033 0.000 1.071 68 R CB 0.429 30.679 30.300 -0.083 0.000 1.116 68 R HN 0.207 nan 8.270 nan 0.000 0.524 69 L N 1.470 122.726 121.223 0.054 0.000 2.467 69 L HA 0.175 4.515 4.340 0.000 0.000 0.270 69 L C 0.065 177.080 176.870 0.241 0.000 1.205 69 L CA -0.021 54.901 54.840 0.136 0.000 0.828 69 L CB 0.167 42.278 42.059 0.086 0.000 1.101 69 L HN 0.154 nan 8.230 nan 0.000 0.479 70 Y N -1.479 118.818 120.300 -0.005 0.000 2.573 70 Y HA 0.385 4.935 4.550 0.000 0.000 0.328 70 Y C -0.984 174.906 175.900 -0.017 0.000 1.170 70 Y CA -1.665 56.434 58.100 -0.003 0.000 1.078 70 Y CB 0.896 39.362 38.460 0.009 0.000 1.341 70 Y HN 0.051 nan 8.280 nan 0.000 0.459 71 V N 4.822 124.625 119.914 -0.184 0.000 2.382 71 V HA -0.051 4.069 4.120 0.000 0.000 0.250 71 V C 1.362 177.099 176.094 -0.594 0.000 1.069 71 V CA 0.599 62.719 62.300 -0.299 0.000 1.130 71 V CB -0.037 31.684 31.823 -0.171 0.000 1.165 71 V HN 0.848 nan 8.190 nan 0.000 0.483 72 K N 5.010 124.985 120.400 -0.707 0.000 2.000 72 K HA -0.080 4.240 4.320 0.000 0.000 0.218 72 K C 0.646 177.015 176.600 -0.386 0.000 1.053 72 K CA 2.021 57.887 56.287 -0.702 0.000 0.946 72 K CB -0.028 32.266 32.500 -0.343 0.000 0.723 72 K HN 0.810 nan 8.250 nan 0.000 0.446 73 A N -1.854 120.800 122.820 -0.277 0.000 2.610 73 A HA 0.787 5.107 4.320 0.000 0.000 0.291 73 A C -1.533 175.880 177.584 -0.283 0.000 1.086 73 A CA -0.476 51.438 52.037 -0.204 0.000 0.677 73 A CB 1.271 20.201 19.000 -0.116 0.000 1.278 73 A HN 0.592 nan 8.150 nan 0.000 0.414 74 A N -0.432 122.204 122.820 -0.307 0.000 2.586 74 A HA 0.999 5.319 4.320 0.000 0.000 0.290 74 A C -1.289 176.051 177.584 -0.407 0.000 1.086 74 A CA 0.050 51.798 52.037 -0.482 0.000 0.665 74 A CB 1.004 19.847 19.000 -0.261 0.000 1.279 74 A HN 2.528 nan 8.150 nan 0.000 0.423 75 Y N -3.525 116.768 120.300 -0.012 0.000 3.010 75 Y HA 0.623 5.173 4.550 0.000 0.000 0.399 75 Y C -1.419 174.485 175.900 0.006 0.000 1.189 75 Y CA -0.929 57.169 58.100 -0.003 0.000 1.175 75 Y CB 0.280 38.737 38.460 -0.004 0.000 1.619 75 Y HN 1.781 nan 8.280 nan 0.000 0.459 76 V N 1.477 121.592 119.914 0.335 0.000 2.733 76 V HA 0.712 4.832 4.120 0.000 0.000 0.306 76 V C -1.652 174.508 176.094 0.110 0.000 1.084 76 V CA -0.279 62.148 62.300 0.213 0.000 0.905 76 V CB 1.824 33.712 31.823 0.109 0.000 1.010 76 V HN 0.872 nan 8.190 nan 0.000 0.424 77 D N 3.317 123.765 120.400 0.081 0.000 2.326 77 D HA 0.407 5.047 4.640 0.000 0.000 0.248 77 D C -0.688 175.531 176.300 -0.135 0.000 1.001 77 D CA -0.251 53.728 54.000 -0.035 0.000 0.961 77 D CB 2.302 43.085 40.800 -0.029 0.000 1.183 77 D HN 0.822 nan 8.370 nan 0.000 0.502 78 E N -0.313 119.781 120.200 -0.176 0.000 2.313 78 E HA 0.477 4.827 4.350 0.000 0.000 0.276 78 E C -0.313 176.039 176.600 -0.413 0.000 1.031 78 E CA -0.406 55.858 56.400 -0.227 0.000 0.857 78 E CB 0.918 30.531 29.700 -0.144 0.000 1.040 78 E HN 0.450 nan 8.360 nan 0.000 0.408 79 G N 3.719 112.251 108.800 -0.448 0.000 2.471 79 G HA2 0.440 4.400 3.960 0.000 0.000 0.332 79 G HA3 0.440 4.400 3.960 0.000 0.000 0.332 79 G C -2.385 172.348 174.900 -0.279 0.000 1.176 79 G CA -1.807 42.984 45.100 -0.516 0.000 0.949 79 G HN 0.609 nan 8.290 nan 0.000 0.488 80 P HA 0.165 nan 4.420 nan 0.000 0.256 80 P C 0.367 177.560 177.300 -0.178 0.000 1.189 80 P CA 0.215 63.200 63.100 -0.193 0.000 0.808 80 P CB 0.344 31.921 31.700 -0.206 0.000 0.793 81 A N 5.062 127.804 122.820 -0.129 0.000 2.448 81 A HA 0.255 4.575 4.320 0.000 0.000 0.239 81 A C 0.064 177.598 177.584 -0.084 0.000 1.080 81 A CA -0.177 51.800 52.037 -0.100 0.000 0.779 81 A CB -0.102 18.851 19.000 -0.077 0.000 1.026 81 A HN 0.488 nan 8.150 nan 0.000 0.499 82 L N 1.729 122.912 121.223 -0.067 0.000 2.257 82 L HA 0.302 4.642 4.340 0.000 0.000 0.290 82 L C 0.299 177.147 176.870 -0.037 0.000 1.044 82 L CA 0.386 55.196 54.840 -0.051 0.000 0.810 82 L CB 1.015 43.049 42.059 -0.041 0.000 1.193 82 L HN 0.615 nan 8.230 nan 0.000 0.425 83 K N 4.994 125.374 120.400 -0.033 0.000 2.262 83 K HA 0.460 4.780 4.320 0.000 0.000 0.282 83 K C -0.289 176.300 176.600 -0.018 0.000 1.066 83 K CA -0.668 55.604 56.287 -0.025 0.000 0.901 83 K CB 1.042 33.527 32.500 -0.025 0.000 1.089 83 K HN 0.336 nan 8.250 nan 0.000 0.476 84 R N 1.518 122.009 120.500 -0.015 0.000 2.832 84 R HA 0.449 4.789 4.340 0.000 0.000 0.271 84 R C -0.304 175.991 176.300 -0.008 0.000 0.996 84 R CA -0.988 55.106 56.100 -0.010 0.000 0.977 84 R CB 1.593 31.889 30.300 -0.007 0.000 1.168 84 R HN 0.257 nan 8.270 nan 0.000 0.482 85 V N 2.321 122.232 119.914 -0.006 0.000 2.743 85 V HA 0.393 4.513 4.120 0.000 0.000 0.301 85 V C -0.347 175.745 176.094 -0.003 0.000 1.057 85 V CA -0.704 61.593 62.300 -0.005 0.000 1.006 85 V CB 1.492 33.313 31.823 -0.004 0.000 1.024 85 V HN 0.507 nan 8.190 nan 0.000 0.473 86 L N 6.371 127.592 121.223 -0.003 0.000 2.611 86 L HA 0.588 4.928 4.340 0.000 0.000 0.263 86 L C -2.792 174.077 176.870 -0.001 0.000 0.969 86 L CA -1.839 53.001 54.840 -0.001 0.000 0.894 86 L CB 2.093 44.151 42.059 -0.001 0.000 1.229 86 L HN 0.429 nan 8.230 nan 0.000 0.416 87 P HA 0.275 nan 4.420 nan 0.000 0.271 87 P C -0.890 176.410 177.300 -0.000 0.000 1.220 87 P CA -0.087 63.013 63.100 -0.000 0.000 0.768 87 P CB 0.955 32.655 31.700 -0.000 0.000 0.848 88 R N 1.866 122.365 120.500 -0.001 0.000 2.923 88 R HA 0.660 5.000 4.340 0.000 0.000 0.252 88 R C 0.171 176.471 176.300 -0.000 0.000 1.130 88 R CA -1.202 54.898 56.100 -0.000 0.000 1.043 88 R CB 0.724 31.023 30.300 -0.001 0.000 1.205 88 R HN 0.534 nan 8.270 nan 0.000 0.495 89 A N 0.890 123.710 122.820 -0.000 0.000 2.547 89 A HA 0.046 4.366 4.320 0.000 0.000 0.233 89 A C 0.232 177.816 177.584 -0.000 0.000 1.067 89 A CA 0.333 52.370 52.037 -0.000 0.000 0.763 89 A CB -0.100 18.900 19.000 0.000 0.000 1.007 89 A HN 0.731 nan 8.150 nan 0.000 0.506 90 R N -0.032 120.468 120.500 -0.000 0.000 3.758 90 R HA -0.209 4.131 4.340 0.000 0.000 0.299 90 R C 0.974 177.274 176.300 -0.001 0.000 1.182 90 R CA 0.901 57.001 56.100 -0.000 0.000 0.809 90 R CB -2.470 27.830 30.300 -0.001 0.000 1.249 90 R HN 2.467 nan 8.270 nan 0.000 0.497 91 G N 0.497 109.297 108.800 -0.001 0.000 2.356 91 G HA2 -0.387 3.573 3.960 0.000 0.000 0.296 91 G HA3 -0.387 3.573 3.960 0.000 0.000 0.296 91 G C 0.723 175.622 174.900 -0.001 0.000 1.022 91 G CA 0.829 45.929 45.100 -0.001 0.000 0.961 91 G HN 0.575 nan 8.290 nan 0.000 0.510 92 R N 0.681 121.180 120.500 -0.001 0.000 2.055 92 R HA 0.386 4.726 4.340 0.000 0.000 0.226 92 R C 1.638 177.937 176.300 -0.002 0.000 1.135 92 R CA 1.362 57.461 56.100 -0.002 0.000 0.959 92 R CB -0.257 30.042 30.300 -0.002 0.000 0.854 92 R HN 1.870 nan 8.270 nan 0.000 0.431 93 A N 2.227 125.045 122.820 -0.002 0.000 1.641 93 A HA -0.123 4.197 4.320 0.000 0.000 0.211 93 A C -1.312 176.270 177.584 -0.003 0.000 1.300 93 A CA 0.688 52.723 52.037 -0.002 0.000 0.653 93 A CB -1.223 17.775 19.000 -0.002 0.000 1.164 93 A HN 0.520 nan 8.150 nan 0.000 0.206 94 D N 0.596 120.994 120.400 -0.003 0.000 2.268 94 D HA 0.700 5.340 4.640 0.000 0.000 0.249 94 D C 0.807 177.104 176.300 -0.005 0.000 1.008 94 D CA 0.318 54.315 54.000 -0.004 0.000 0.939 94 D CB 1.355 42.153 40.800 -0.004 0.000 1.170 94 D HN 1.041 nan 8.370 nan 0.000 0.468 95 I N -1.145 119.421 120.570 -0.007 0.000 2.354 95 I HA 0.490 4.660 4.170 0.000 0.000 0.292 95 I C -0.536 175.575 176.117 -0.009 0.000 0.989 95 I CA -0.834 60.461 61.300 -0.008 0.000 1.188 95 I CB 1.035 39.029 38.000 -0.010 0.000 1.342 95 I HN 0.043 nan 8.210 nan 0.000 0.457 96 I N 6.003 126.568 120.570 -0.009 0.000 2.713 96 I HA 0.329 4.499 4.170 0.000 0.000 0.300 96 I C 0.026 176.134 176.117 -0.014 0.000 1.009 96 I CA -0.165 61.130 61.300 -0.009 0.000 1.305 96 I CB 0.982 38.979 38.000 -0.006 0.000 1.430 96 I HN 0.569 nan 8.210 nan 0.000 0.546 97 K N 5.657 126.047 120.400 -0.016 0.000 2.521 97 K HA 0.271 4.591 4.320 0.000 0.000 0.248 97 K C -0.947 175.639 176.600 -0.023 0.000 0.978 97 K CA -0.873 55.400 56.287 -0.023 0.000 0.947 97 K CB 1.000 33.483 32.500 -0.027 0.000 1.165 97 K HN 0.269 nan 8.250 nan 0.000 0.445 98 K N 3.614 124.000 120.400 -0.023 0.000 2.166 98 K HA 0.116 4.436 4.320 0.000 0.000 0.273 98 K C 0.342 176.920 176.600 -0.038 0.000 1.095 98 K CA 0.045 56.319 56.287 -0.022 0.000 0.985 98 K CB 0.054 32.543 32.500 -0.018 0.000 1.172 98 K HN 0.342 nan 8.250 nan 0.000 0.401 99 R N 0.389 120.866 120.500 -0.038 0.000 2.738 99 R HA 0.131 4.471 4.340 0.000 0.000 0.268 99 R C 0.722 176.982 176.300 -0.067 0.000 1.062 99 R CA 0.256 56.323 56.100 -0.056 0.000 1.158 99 R CB 0.557 30.828 30.300 -0.048 0.000 1.046 99 R HN 0.389 nan 8.270 nan 0.000 0.493 100 T N -0.218 114.278 114.554 -0.097 0.000 2.907 100 T HA 0.497 4.847 4.350 0.000 0.000 0.292 100 T C -0.822 173.807 174.700 -0.118 0.000 1.043 100 T CA -0.599 61.439 62.100 -0.102 0.000 1.003 100 T CB 1.360 70.157 68.868 -0.118 0.000 1.084 100 T HN 0.485 nan 8.240 nan 0.000 0.483 101 S N 1.738 117.396 115.700 -0.070 0.000 2.600 101 S HA 0.546 5.016 4.470 0.000 0.000 0.300 101 S C -1.244 173.446 174.600 0.151 0.000 1.087 101 S CA -0.774 57.402 58.200 -0.040 0.000 0.965 101 S CB 1.022 64.200 63.200 -0.036 0.000 1.089 101 S HN 0.806 nan 8.310 nan 0.000 0.496 102 H N 0.942 120.025 119.070 0.022 0.000 2.887 102 H HA 0.383 4.939 4.556 0.000 0.000 0.300 102 H C -0.883 174.479 175.328 0.057 0.000 1.038 102 H CA -0.562 55.516 56.048 0.049 0.000 1.352 102 H CB 0.598 30.407 29.762 0.079 0.000 1.473 102 H HN 0.388 nan 8.280 nan 0.000 0.503 103 I N 3.576 124.225 120.570 0.132 0.000 2.281 103 I HA 0.138 4.308 4.170 0.000 0.000 0.293 103 I C 0.155 176.301 176.117 0.048 0.000 1.085 103 I CA -0.125 61.226 61.300 0.085 0.000 1.257 103 I CB 0.703 38.725 38.000 0.037 0.000 1.430 103 I HN 0.418 nan 8.210 nan 0.000 0.489 104 T N 5.790 120.379 114.554 0.059 0.000 2.829 104 T HA 0.541 4.891 4.350 0.000 0.000 0.282 104 T C -0.098 174.430 174.700 -0.288 0.000 0.990 104 T CA -0.447 61.617 62.100 -0.060 0.000 1.028 104 T CB 2.043 70.983 68.868 0.121 0.000 0.951 104 T HN 0.260 nan 8.240 nan 0.000 0.460 105 V N 5.177 124.957 119.914 -0.224 0.000 2.509 105 V HA 0.372 4.492 4.120 0.000 0.000 0.289 105 V C -0.113 175.862 176.094 -0.198 0.000 1.026 105 V CA -0.968 61.188 62.300 -0.241 0.000 0.872 105 V CB 1.053 32.785 31.823 -0.152 0.000 1.017 105 V HN 0.858 nan 8.190 nan 0.000 0.436 106 I N 2.581 123.012 120.570 -0.231 0.000 2.365 106 I HA 0.691 4.861 4.170 0.000 0.000 0.291 106 I C -0.814 175.201 176.117 -0.170 0.000 1.004 106 I CA -0.438 60.762 61.300 -0.167 0.000 1.311 106 I CB 1.307 39.225 38.000 -0.136 0.000 1.401 106 I HN 0.323 nan 8.210 nan 0.000 0.491 107 L N 5.308 126.451 121.223 -0.133 0.000 2.352 107 L HA 0.921 5.261 4.340 0.000 0.000 0.269 107 L C 0.396 177.236 176.870 -0.050 0.000 1.034 107 L CA 0.029 54.805 54.840 -0.107 0.000 0.806 107 L CB 1.683 43.702 42.059 -0.066 0.000 1.244 107 L HN 0.946 nan 8.230 nan 0.000 0.447 108 G N 0.883 109.723 108.800 0.066 0.000 2.766 108 G HA2 0.594 4.554 3.960 0.000 0.000 0.288 108 G HA3 0.594 4.554 3.960 0.000 0.000 0.288 108 G C -1.388 173.745 174.900 0.388 0.000 1.408 108 G CA -0.496 44.758 45.100 0.258 0.000 0.852 108 G HN 0.477 nan 8.290 nan 0.000 0.487 109 E N -0.357 119.963 120.200 0.200 0.000 2.232 109 E HA 0.469 4.819 4.350 0.000 0.000 0.265 109 E C -0.259 176.185 176.600 -0.259 0.000 1.001 109 E CA -0.710 55.689 56.400 -0.002 0.000 0.870 109 E CB 2.206 31.890 29.700 -0.026 0.000 1.175 109 E HN 0.274 nan 8.360 nan 0.000 0.407 110 K N 0.708 120.925 120.400 -0.304 0.000 2.842 110 K HA 0.104 4.424 4.320 0.000 0.000 0.310 110 K C -0.019 176.495 176.600 -0.144 0.000 0.992 110 K CA -0.353 55.734 56.287 -0.332 0.000 1.207 110 K CB -0.066 32.363 32.500 -0.119 0.000 1.478 110 K HN 0.591 nan 8.250 nan 0.000 0.601 111 H N -1.241 117.726 119.070 -0.172 0.000 3.095 111 H HA 0.086 4.642 4.556 0.000 0.000 0.351 111 H C 0.252 175.537 175.328 -0.072 0.000 1.123 111 H CA 0.827 56.815 56.048 -0.101 0.000 1.368 111 H CB -0.140 29.576 29.762 -0.076 0.000 1.293 111 H HN 0.591 nan 8.280 nan 0.000 0.606 112 G N -0.179 108.581 108.800 -0.066 0.000 5.414 112 G HA2 0.448 4.408 3.960 0.000 0.000 0.202 112 G HA3 0.448 4.408 3.960 0.000 0.000 0.202 112 G C 0.285 175.162 174.900 -0.037 0.000 0.727 112 G CA 0.134 45.168 45.100 -0.110 0.000 0.670 112 G HN 0.918 nan 8.290 nan 0.000 0.442 113 K N 0.000 120.405 120.400 0.009 0.000 2.780 113 K HA 0.000 4.320 4.320 0.000 0.000 0.191 113 K CA 0.000 56.300 56.287 0.022 0.000 0.838 113 K CB 0.000 32.528 32.500 0.046 0.000 1.064 113 K HN 0.000 nan 8.250 nan 0.000 0.543