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 2f9d_1_B DATA FIRST_RESID 12 DATA SEQUENCE RLPPEVNRIL YIRNLPYKIT AEEMYDIFGK YGPIRQIRVG NTPETRGTAY DATA SEQUENCE VVYEDIFDAK NACDHLSGFN VCNRYLVVLY YNANRAFQKM DTKKKEEQLK DATA SEQUENCE LLKEKYGINT DPPK 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 12 R HA 0.000 nan 4.340 nan 0.000 0.208 12 R C 0.000 176.335 176.300 0.059 0.000 0.893 12 R CA 0.000 56.140 56.100 0.067 0.000 0.921 12 R CB 0.000 30.323 30.300 0.039 0.000 0.687 13 L N 2.200 123.450 121.223 0.045 0.000 2.325 13 L HA 0.884 5.225 4.340 0.002 0.000 0.278 13 L C -1.927 174.914 176.870 -0.048 0.000 1.023 13 L CA -1.980 52.860 54.840 0.001 0.000 0.811 13 L CB 0.443 42.493 42.059 -0.016 0.000 1.249 13 L HN 0.352 nan 8.230 nan 0.000 0.431 14 P HA 0.116 nan 4.420 nan 0.000 0.266 14 P C -1.946 175.285 177.300 -0.116 0.000 1.193 14 P CA -0.823 62.235 63.100 -0.071 0.000 0.770 14 P CB 0.011 31.670 31.700 -0.068 0.000 0.836 15 P HA -0.201 nan 4.420 nan 0.000 0.219 15 P C 1.113 178.331 177.300 -0.136 0.000 1.146 15 P CA 1.374 64.419 63.100 -0.092 0.000 0.808 15 P CB 0.029 31.698 31.700 -0.052 0.000 0.779 16 E N 0.936 121.036 120.200 -0.165 0.000 2.274 16 E HA -0.061 4.290 4.350 0.002 0.000 0.194 16 E C 0.984 177.280 176.600 -0.507 0.000 0.996 16 E CA 0.309 56.587 56.400 -0.204 0.000 0.840 16 E CB -1.143 28.498 29.700 -0.098 0.000 0.772 16 E HN 0.165 nan 8.360 nan 0.000 0.491 17 V N 1.354 120.822 119.914 -0.744 0.000 2.740 17 V HA 0.267 4.388 4.120 0.002 0.000 0.303 17 V C -0.320 175.452 176.094 -0.537 0.000 1.054 17 V CA -0.149 61.410 62.300 -1.235 0.000 1.106 17 V CB 0.637 31.944 31.823 -0.859 0.000 0.957 17 V HN 0.373 nan 8.190 nan 0.000 0.486 18 N N 3.786 122.303 118.700 -0.305 0.000 2.516 18 N HA 0.317 5.059 4.740 0.002 0.000 0.268 18 N C 0.317 175.903 175.510 0.127 0.000 1.096 18 N CA -0.692 52.354 53.050 -0.007 0.000 0.954 18 N CB 2.007 40.570 38.487 0.126 0.000 1.676 18 N HN 0.735 nan 8.380 nan 0.000 0.490 19 R N 1.074 121.611 120.500 0.063 0.000 2.293 19 R HA 0.131 4.473 4.340 0.002 0.000 0.219 19 R C 0.217 176.622 176.300 0.175 0.000 1.091 19 R CA 0.952 57.123 56.100 0.118 0.000 1.004 19 R CB -0.110 30.230 30.300 0.066 0.000 0.865 19 R HN 0.471 nan 8.270 nan 0.000 0.469 20 I N 1.408 122.058 120.570 0.134 0.000 2.336 20 I HA 0.159 4.330 4.170 0.002 0.000 0.292 20 I C -0.718 175.567 176.117 0.281 0.000 0.991 20 I CA -0.811 60.565 61.300 0.127 0.000 1.227 20 I CB 1.395 39.337 38.000 -0.097 0.000 1.366 20 I HN -0.195 nan 8.210 nan 0.000 0.466 21 L N 7.154 128.517 121.223 0.233 0.000 2.322 21 L HA 0.386 4.728 4.340 0.002 0.000 0.281 21 L C -0.661 176.332 176.870 0.206 0.000 1.014 21 L CA -0.600 54.357 54.840 0.195 0.000 0.815 21 L CB 1.057 43.183 42.059 0.112 0.000 1.247 21 L HN 0.350 nan 8.230 nan 0.000 0.421 22 Y N 4.653 124.980 120.300 0.045 0.000 2.320 22 Y HA 0.626 5.177 4.550 0.002 0.000 0.334 22 Y C -0.386 175.419 175.900 -0.158 0.000 1.055 22 Y CA -1.257 56.756 58.100 -0.145 0.000 1.143 22 Y CB 1.302 39.703 38.460 -0.099 0.000 1.193 22 Y HN 0.516 nan 8.280 nan 0.000 0.477 23 I N 5.816 125.984 120.570 -0.670 0.000 2.509 23 I HA 0.650 4.821 4.170 0.002 0.000 0.293 23 I C -1.428 174.284 176.117 -0.675 0.000 1.020 23 I CA -0.560 60.433 61.300 -0.511 0.000 1.088 23 I CB 1.555 39.437 38.000 -0.197 0.000 1.267 23 I HN 0.651 nan 8.210 nan 0.000 0.430 24 R N 3.888 124.130 120.500 -0.431 0.000 2.892 24 R HA 0.443 4.785 4.340 0.002 0.000 0.265 24 R C -0.216 176.008 176.300 -0.126 0.000 1.025 24 R CA -1.101 54.812 56.100 -0.310 0.000 0.982 24 R CB 1.158 31.312 30.300 -0.244 0.000 1.185 24 R HN 0.842 nan 8.270 nan 0.000 0.484 25 N N 0.516 119.170 118.700 -0.077 0.000 2.754 25 N HA -0.148 4.593 4.740 0.002 0.000 0.248 25 N C -1.279 174.213 175.510 -0.030 0.000 1.093 25 N CA 0.514 53.539 53.050 -0.041 0.000 0.699 25 N CB -1.051 37.427 38.487 -0.015 0.000 1.016 25 N HN 0.406 nan 8.380 nan 0.000 0.552 26 L N -1.984 119.230 121.223 -0.016 0.000 2.334 26 L HA 0.818 5.159 4.340 0.002 0.000 0.277 26 L C -1.990 174.890 176.870 0.017 0.000 1.075 26 L CA -2.073 52.779 54.840 0.019 0.000 0.804 26 L CB -0.270 41.822 42.059 0.056 0.000 1.174 26 L HN -0.136 nan 8.230 nan 0.000 0.438 27 P HA 0.035 nan 4.420 nan 0.000 0.266 27 P C 0.284 177.653 177.300 0.114 0.000 1.195 27 P CA 0.333 63.417 63.100 -0.026 0.000 0.768 27 P CB 0.141 31.833 31.700 -0.013 0.000 0.838 28 Y N 0.674 120.972 120.300 -0.003 0.000 2.224 28 Y HA -0.206 4.345 4.550 0.002 0.000 0.289 28 Y C 1.897 177.801 175.900 0.006 0.000 1.146 28 Y CA 0.573 58.673 58.100 0.000 0.000 1.182 28 Y CB -0.102 38.357 38.460 -0.001 0.000 0.983 28 Y HN 0.254 nan 8.280 nan 0.000 0.524 29 K N 0.813 121.315 120.400 0.170 0.000 2.487 29 K HA 0.067 4.389 4.320 0.002 0.000 0.192 29 K C 0.040 176.686 176.600 0.077 0.000 1.027 29 K CA 0.010 56.357 56.287 0.100 0.000 1.054 29 K CB -0.523 32.019 32.500 0.069 0.000 0.824 29 K HN 0.202 nan 8.250 nan 0.000 0.510 30 I N 1.787 122.408 120.570 0.085 0.000 2.710 30 I HA -0.110 4.062 4.170 0.002 0.000 0.286 30 I C 0.556 176.721 176.117 0.080 0.000 1.181 30 I CA 0.314 61.662 61.300 0.080 0.000 1.430 30 I CB 0.561 38.617 38.000 0.093 0.000 1.367 30 I HN 0.251 nan 8.210 nan 0.000 0.577 31 T N 3.805 118.407 114.554 0.080 0.000 2.881 31 T HA 0.550 4.901 4.350 0.002 0.000 0.278 31 T C 1.092 175.857 174.700 0.107 0.000 0.982 31 T CA -0.220 61.928 62.100 0.080 0.000 0.989 31 T CB 1.618 70.526 68.868 0.067 0.000 1.058 31 T HN 0.699 nan 8.240 nan 0.000 0.529 32 A N 0.274 123.161 122.820 0.112 0.000 1.883 32 A HA -0.082 4.240 4.320 0.002 0.000 0.217 32 A C 2.280 180.011 177.584 0.246 0.000 1.186 32 A CA 2.024 54.166 52.037 0.175 0.000 0.624 32 A CB -1.293 17.794 19.000 0.146 0.000 0.822 32 A HN 1.046 nan 8.150 nan 0.000 0.444 33 E N -0.252 120.039 120.200 0.152 0.000 2.085 33 E HA -0.245 4.107 4.350 0.002 0.000 0.194 33 E C 1.934 178.633 176.600 0.165 0.000 0.994 33 E CA 1.584 58.066 56.400 0.136 0.000 0.801 33 E CB -0.129 29.612 29.700 0.068 0.000 0.743 33 E HN 0.765 nan 8.360 nan 0.000 0.453 34 E N -0.244 120.038 120.200 0.136 0.000 2.077 34 E HA -0.192 4.159 4.350 0.002 0.000 0.193 34 E C 2.185 178.882 176.600 0.162 0.000 0.989 34 E CA 1.103 57.578 56.400 0.126 0.000 0.800 34 E CB -0.050 29.711 29.700 0.102 0.000 0.746 34 E HN 0.323 nan 8.360 nan 0.000 0.452 35 M N -0.249 119.466 119.600 0.193 0.000 2.080 35 M HA -0.187 4.294 4.480 0.002 0.000 0.260 35 M C 2.033 178.472 176.300 0.232 0.000 1.068 35 M CA 1.634 57.077 55.300 0.238 0.000 1.109 35 M CB -0.783 31.884 32.600 0.112 0.000 1.342 35 M HN 0.204 nan 8.290 nan 0.000 0.405 36 Y N 0.494 120.874 120.300 0.133 0.000 2.242 36 Y HA -0.247 4.304 4.550 0.003 0.000 0.291 36 Y C 2.363 178.317 175.900 0.089 0.000 1.137 36 Y CA 1.680 59.840 58.100 0.099 0.000 1.181 36 Y CB -0.445 38.044 38.460 0.049 0.000 0.989 36 Y HN 0.294 nan 8.280 nan 0.000 0.527 37 D N 0.161 120.689 120.400 0.213 0.000 2.104 37 D HA -0.188 4.453 4.640 0.002 0.000 0.194 37 D C 2.047 178.368 176.300 0.035 0.000 0.994 37 D CA 1.557 55.623 54.000 0.110 0.000 0.830 37 D CB -0.269 40.582 40.800 0.085 0.000 0.959 37 D HN 0.297 nan 8.370 nan 0.000 0.452 38 I N -0.741 119.818 120.570 -0.018 0.000 2.133 38 I HA -0.236 3.935 4.170 0.002 0.000 0.238 38 I C 2.035 177.965 176.117 -0.311 0.000 1.074 38 I CA 0.816 61.950 61.300 -0.277 0.000 1.342 38 I CB -0.280 37.433 38.000 -0.479 0.000 1.053 38 I HN -0.031 nan 8.210 nan 0.000 0.404 39 F N 0.605 120.562 119.950 0.012 0.000 2.234 39 F HA 0.022 4.550 4.527 0.002 0.000 0.296 39 F C 2.503 178.441 175.800 0.231 0.000 1.089 39 F CA 1.058 59.123 58.000 0.109 0.000 1.343 39 F CB -1.116 37.832 39.000 -0.086 0.000 1.040 39 F HN -0.001 nan 8.300 nan 0.000 0.498 40 G N -0.136 108.816 108.800 0.253 0.000 2.625 40 G HA2 -0.236 3.725 3.960 0.002 0.000 0.214 40 G HA3 -0.236 3.725 3.960 0.002 0.000 0.214 40 G C 1.682 176.687 174.900 0.174 0.000 1.132 40 G CA 0.453 45.692 45.100 0.231 0.000 0.782 40 G HN 0.305 nan 8.290 nan 0.000 0.538 41 K N -0.291 120.147 120.400 0.063 0.000 2.211 41 K HA -0.078 4.244 4.320 0.002 0.000 0.203 41 K C 1.248 177.676 176.600 -0.287 0.000 1.050 41 K CA 0.758 56.929 56.287 -0.194 0.000 0.945 41 K CB -0.189 32.047 32.500 -0.439 0.000 0.732 41 K HN 0.459 nan 8.250 nan 0.000 0.451 42 Y N -0.173 120.205 120.300 0.130 0.000 2.466 42 Y HA 0.251 4.803 4.550 0.002 0.000 0.272 42 Y C 0.935 176.912 175.900 0.128 0.000 1.169 42 Y CA 0.297 58.450 58.100 0.088 0.000 1.285 42 Y CB 1.129 39.591 38.460 0.002 0.000 1.078 42 Y HN 0.237 nan 8.280 nan 0.000 0.523 43 G N -0.687 108.299 108.800 0.311 0.000 2.351 43 G HA2 0.003 3.964 3.960 0.002 0.000 0.353 43 G HA3 0.003 3.964 3.960 0.002 0.000 0.353 43 G C -3.081 172.007 174.900 0.314 0.000 1.358 43 G CA -1.602 43.655 45.100 0.262 0.000 0.995 43 G HN -0.265 nan 8.290 nan 0.000 0.611 44 P HA 0.191 nan 4.420 nan 0.000 0.257 44 P C 0.247 177.654 177.300 0.179 0.000 1.162 44 P CA 0.086 63.293 63.100 0.178 0.000 0.762 44 P CB 0.235 32.019 31.700 0.140 0.000 0.753 45 I N 4.157 124.798 120.570 0.118 0.000 2.395 45 I HA 0.163 4.334 4.170 0.002 0.000 0.289 45 I C 1.612 177.742 176.117 0.021 0.000 1.023 45 I CA -0.085 61.193 61.300 -0.036 0.000 1.350 45 I CB 1.577 39.529 38.000 -0.079 0.000 1.409 45 I HN 0.363 nan 8.210 nan 0.000 0.507 46 R N 5.352 125.822 120.500 -0.050 0.000 2.075 46 R HA 0.040 4.381 4.340 0.002 0.000 0.220 46 R C -0.063 176.224 176.300 -0.021 0.000 1.118 46 R CA 1.229 57.320 56.100 -0.014 0.000 0.986 46 R CB 0.384 30.670 30.300 -0.024 0.000 0.884 46 R HN 0.799 nan 8.270 nan 0.000 0.439 47 Q N -1.399 118.345 119.800 -0.092 0.000 2.776 47 Q HA 0.371 4.712 4.340 0.002 0.000 0.289 47 Q C -1.458 174.426 176.000 -0.193 0.000 0.912 47 Q CA -0.851 54.905 55.803 -0.078 0.000 0.789 47 Q CB 0.997 29.713 28.738 -0.038 0.000 1.498 47 Q HN 0.072 nan 8.270 nan 0.000 0.408 48 I N 0.522 120.986 120.570 -0.177 0.000 2.608 48 I HA 0.604 4.775 4.170 0.002 0.000 0.295 48 I C -0.864 175.201 176.117 -0.088 0.000 1.049 48 I CA -0.891 60.276 61.300 -0.222 0.000 1.063 48 I CB 2.355 40.117 38.000 -0.396 0.000 1.248 48 I HN 0.504 nan 8.210 nan 0.000 0.424 49 R N 4.475 124.949 120.500 -0.043 0.000 2.513 49 R HA 0.656 4.997 4.340 0.002 0.000 0.301 49 R C -1.130 175.190 176.300 0.033 0.000 0.968 49 R CA -0.790 55.325 56.100 0.024 0.000 0.872 49 R CB 2.570 32.920 30.300 0.083 0.000 1.177 49 R HN 0.501 nan 8.270 nan 0.000 0.444 50 V N -0.403 119.523 119.914 0.019 0.000 2.513 50 V HA 0.762 4.884 4.120 0.002 0.000 0.299 50 V C 0.504 176.612 176.094 0.023 0.000 1.035 50 V CA -0.769 61.535 62.300 0.006 0.000 0.889 50 V CB 1.729 33.551 31.823 -0.002 0.000 0.988 50 V HN 0.786 nan 8.190 nan 0.000 0.440 51 G N 3.044 111.855 108.800 0.017 0.000 2.380 51 G HA2 0.289 4.251 3.960 0.002 0.000 0.242 51 G HA3 0.289 4.251 3.960 0.002 0.000 0.242 51 G C 0.278 175.169 174.900 -0.014 0.000 1.298 51 G CA 0.146 45.257 45.100 0.018 0.000 0.878 51 G HN 1.494 nan 8.290 nan 0.000 0.542 52 N N -0.301 118.389 118.700 -0.017 0.000 2.475 52 N HA 0.161 4.902 4.740 0.002 0.000 0.272 52 N C 0.001 175.484 175.510 -0.045 0.000 1.482 52 N CA -0.358 52.667 53.050 -0.041 0.000 0.863 52 N CB 1.109 39.584 38.487 -0.021 0.000 1.400 52 N HN 0.551 nan 8.380 nan 0.000 0.489 53 T N -3.713 110.815 114.554 -0.043 0.000 2.916 53 T HA 0.467 4.819 4.350 0.002 0.000 0.292 53 T C -2.165 172.499 174.700 -0.061 0.000 1.055 53 T CA -1.846 60.230 62.100 -0.040 0.000 1.009 53 T CB 2.132 70.992 68.868 -0.013 0.000 1.118 53 T HN -0.325 nan 8.240 nan 0.000 0.497 54 P HA -0.125 nan 4.420 nan 0.000 0.218 54 P C 1.141 178.425 177.300 -0.026 0.000 1.154 54 P CA 1.256 64.323 63.100 -0.055 0.000 0.872 54 P CB 0.120 31.802 31.700 -0.029 0.000 0.790 55 E N -1.749 118.448 120.200 -0.006 0.000 2.358 55 E HA -0.071 4.280 4.350 0.002 0.000 0.195 55 E C 1.411 178.026 176.600 0.025 0.000 1.010 55 E CA 1.440 57.849 56.400 0.015 0.000 0.856 55 E CB -0.151 29.561 29.700 0.019 0.000 0.795 55 E HN 0.393 nan 8.360 nan 0.000 0.504 56 T N -3.045 111.516 114.554 0.011 0.000 2.959 56 T HA 0.220 4.571 4.350 0.002 0.000 0.254 56 T C 0.841 175.546 174.700 0.009 0.000 1.003 56 T CA -0.538 61.579 62.100 0.029 0.000 0.950 56 T CB 0.165 69.057 68.868 0.040 0.000 1.090 56 T HN -0.156 nan 8.240 nan 0.000 0.503 57 R N 1.296 121.767 120.500 -0.048 0.000 2.566 57 R HA 0.345 4.687 4.340 0.002 0.000 0.273 57 R C 1.392 177.751 176.300 0.098 0.000 0.981 57 R CA 1.699 57.731 56.100 -0.112 0.000 1.091 57 R CB -0.253 29.779 30.300 -0.447 0.000 0.924 57 R HN 0.634 nan 8.270 nan 0.000 0.411 58 G N 1.591 110.507 108.800 0.193 0.000 2.132 58 G HA2 -0.266 3.696 3.960 0.002 0.000 0.234 58 G HA3 -0.266 3.696 3.960 0.002 0.000 0.234 58 G C -0.078 174.847 174.900 0.041 0.000 0.989 58 G CA 0.255 45.508 45.100 0.255 0.000 0.676 58 G HN 0.828 nan 8.290 nan 0.000 0.522 59 T N -3.112 111.427 114.554 -0.025 0.000 2.864 59 T HA 1.019 5.370 4.350 0.002 0.000 0.299 59 T C -0.411 174.186 174.700 -0.172 0.000 1.166 59 T CA 0.214 62.207 62.100 -0.178 0.000 1.007 59 T CB 2.362 71.130 68.868 -0.167 0.000 1.219 59 T HN 2.050 nan 8.240 nan 0.000 0.506 60 A N 0.643 123.270 122.820 -0.321 0.000 2.599 60 A HA 0.737 5.058 4.320 0.002 0.000 0.290 60 A C -2.281 175.070 177.584 -0.389 0.000 1.101 60 A CA -1.065 50.824 52.037 -0.247 0.000 0.674 60 A CB 1.000 19.871 19.000 -0.215 0.000 1.277 60 A HN 0.845 nan 8.150 nan 0.000 0.419 61 Y N 0.003 120.266 120.300 -0.062 0.000 2.328 61 Y HA 0.532 5.084 4.550 0.002 0.000 0.336 61 Y C -0.073 175.694 175.900 -0.223 0.000 0.960 61 Y CA -0.611 57.456 58.100 -0.054 0.000 1.134 61 Y CB 2.240 40.696 38.460 -0.006 0.000 1.166 61 Y HN 0.422 nan 8.280 nan 0.000 0.464 62 V N 5.038 124.852 119.914 -0.166 0.000 2.398 62 V HA 0.455 4.577 4.120 0.002 0.000 0.286 62 V C -0.562 175.390 176.094 -0.237 0.000 1.026 62 V CA -0.864 61.206 62.300 -0.385 0.000 0.868 62 V CB 1.541 32.920 31.823 -0.741 0.000 0.982 62 V HN 0.498 nan 8.190 nan 0.000 0.443 63 V N 5.696 125.431 119.914 -0.298 0.000 2.378 63 V HA 0.454 4.575 4.120 0.002 0.000 0.288 63 V C -0.763 175.182 176.094 -0.248 0.000 1.016 63 V CA -0.841 61.354 62.300 -0.175 0.000 0.840 63 V CB 1.046 32.788 31.823 -0.135 0.000 0.994 63 V HN 0.699 nan 8.190 nan 0.000 0.431 64 Y N 1.725 122.018 120.300 -0.012 0.000 2.335 64 Y HA 0.291 4.843 4.550 0.003 0.000 0.323 64 Y C 1.430 177.340 175.900 0.018 0.000 1.224 64 Y CA -0.335 57.780 58.100 0.024 0.000 1.241 64 Y CB 1.234 39.727 38.460 0.056 0.000 1.235 64 Y HN 0.632 nan 8.280 nan 0.000 0.492 65 E N 0.504 120.823 120.200 0.199 0.000 2.208 65 E HA -0.112 4.239 4.350 0.002 0.000 0.193 65 E C -0.559 176.115 176.600 0.123 0.000 0.988 65 E CA 0.868 57.343 56.400 0.124 0.000 0.828 65 E CB 0.248 30.015 29.700 0.113 0.000 0.763 65 E HN 0.630 nan 8.360 nan 0.000 0.478 66 D N -1.470 119.030 120.400 0.166 0.000 2.649 66 D HA 0.162 4.803 4.640 0.002 0.000 0.249 66 D C 0.379 176.718 176.300 0.064 0.000 1.112 66 D CA -0.390 53.688 54.000 0.130 0.000 0.850 66 D CB 1.041 41.949 40.800 0.179 0.000 1.399 66 D HN -0.020 nan 8.370 nan 0.000 0.503 67 I N 3.019 123.546 120.570 -0.073 0.000 2.493 67 I HA -0.140 4.032 4.170 0.002 0.000 0.254 67 I C 0.844 176.773 176.117 -0.314 0.000 1.160 67 I CA 1.112 62.269 61.300 -0.238 0.000 1.445 67 I CB 0.043 37.808 38.000 -0.390 0.000 1.086 67 I HN 0.485 nan 8.210 nan 0.000 0.433 68 F N 0.595 120.552 119.950 0.013 0.000 2.293 68 F HA -0.145 4.383 4.527 0.002 0.000 0.297 68 F C 2.141 177.931 175.800 -0.016 0.000 1.089 68 F CA 0.735 58.739 58.000 0.007 0.000 1.377 68 F CB -0.604 38.408 39.000 0.019 0.000 1.051 68 F HN 0.079 nan 8.300 nan 0.000 0.511 69 D N 0.700 121.173 120.400 0.123 0.000 2.097 69 D HA -0.172 4.470 4.640 0.002 0.000 0.195 69 D C 2.369 178.460 176.300 -0.349 0.000 0.989 69 D CA 1.538 55.519 54.000 -0.031 0.000 0.827 69 D CB -0.717 40.094 40.800 0.018 0.000 0.966 69 D HN 0.234 nan 8.370 nan 0.000 0.456 70 A N 0.972 123.552 122.820 -0.400 0.000 1.902 70 A HA -0.210 4.111 4.320 0.002 0.000 0.217 70 A C 2.062 179.534 177.584 -0.187 0.000 1.181 70 A CA 1.619 53.365 52.037 -0.486 0.000 0.623 70 A CB -0.503 18.454 19.000 -0.071 0.000 0.818 70 A HN 0.120 nan 8.150 nan 0.000 0.443 71 K N -0.108 120.281 120.400 -0.017 0.000 2.063 71 K HA -0.217 4.104 4.320 0.002 0.000 0.208 71 K C 2.009 178.579 176.600 -0.050 0.000 1.048 71 K CA 1.720 58.060 56.287 0.087 0.000 0.928 71 K CB -0.357 32.201 32.500 0.096 0.000 0.713 71 K HN 0.646 nan 8.250 nan 0.000 0.442 72 N N -0.227 118.440 118.700 -0.055 0.000 2.120 72 N HA -0.157 4.585 4.740 0.002 0.000 0.188 72 N C 1.742 177.099 175.510 -0.254 0.000 1.024 72 N CA 1.020 54.063 53.050 -0.012 0.000 0.852 72 N CB -0.027 38.561 38.487 0.167 0.000 1.003 72 N HN 0.258 nan 8.380 nan 0.000 0.424 73 A N 0.612 123.110 122.820 -0.537 0.000 1.877 73 A HA -0.180 4.141 4.320 0.002 0.000 0.216 73 A C 2.701 179.955 177.584 -0.549 0.000 1.186 73 A CA 1.353 52.827 52.037 -0.938 0.000 0.620 73 A CB -1.292 17.321 19.000 -0.645 0.000 0.822 73 A HN 0.601 nan 8.150 nan 0.000 0.443 74 C N -0.229 118.838 119.300 -0.388 0.000 2.429 74 C HA -0.107 4.354 4.460 0.002 0.000 0.277 74 C C 2.247 177.034 174.990 -0.338 0.000 1.262 74 C CA 1.460 60.247 59.018 -0.385 0.000 1.733 74 C CB -1.361 25.982 27.740 -0.661 0.000 2.010 74 C HN 0.638 nan 8.230 nan 0.000 0.483 75 D N -0.845 119.349 120.400 -0.343 0.000 2.178 75 D HA -0.097 4.545 4.640 0.002 0.000 0.201 75 D C 1.591 177.610 176.300 -0.469 0.000 0.980 75 D CA 1.537 55.299 54.000 -0.397 0.000 0.842 75 D CB -0.471 40.046 40.800 -0.473 0.000 0.948 75 D HN 0.709 nan 8.370 nan 0.000 0.472 76 H N -1.344 117.608 119.070 -0.197 0.000 2.639 76 H HA 0.173 4.731 4.556 0.002 0.000 0.267 76 H C 1.319 176.594 175.328 -0.089 0.000 0.958 76 H CA -0.051 55.929 56.048 -0.114 0.000 1.221 76 H CB 0.662 30.404 29.762 -0.033 0.000 1.446 76 H HN -0.064 nan 8.280 nan 0.000 0.512 77 L N 0.094 121.246 121.223 -0.118 0.000 2.513 77 L HA 0.107 4.448 4.340 0.002 0.000 0.222 77 L C 0.832 177.729 176.870 0.045 0.000 1.096 77 L CA 0.536 55.315 54.840 -0.103 0.000 0.857 77 L CB -0.192 41.696 42.059 -0.284 0.000 1.026 77 L HN 0.040 nan 8.230 nan 0.000 0.469 78 S N 0.226 115.925 115.700 -0.002 0.000 2.673 78 S HA 0.244 4.715 4.470 0.002 0.000 0.308 78 S C 1.488 176.141 174.600 0.087 0.000 1.246 78 S CA 0.816 59.030 58.200 0.022 0.000 1.077 78 S CB -0.172 63.007 63.200 -0.035 0.000 0.814 78 S HN 0.762 nan 8.310 nan 0.000 0.503 79 G N 4.037 112.906 108.800 0.114 0.000 2.184 79 G HA2 -0.293 3.669 3.960 0.002 0.000 0.264 79 G HA3 -0.293 3.669 3.960 0.002 0.000 0.264 79 G C 0.074 175.139 174.900 0.274 0.000 0.975 79 G CA 0.179 45.366 45.100 0.145 0.000 0.642 79 G HN 0.878 nan 8.290 nan 0.000 0.536 80 F N 1.938 121.947 119.950 0.099 0.000 2.578 80 F HA 0.457 4.985 4.527 0.002 0.000 0.381 80 F C 0.648 176.483 175.800 0.058 0.000 1.069 80 F CA -0.741 57.302 58.000 0.071 0.000 1.231 80 F CB 0.486 39.479 39.000 -0.013 0.000 1.086 80 F HN 0.094 nan 8.300 nan 0.000 0.564 81 N N 5.413 123.766 118.700 -0.579 0.000 2.405 81 N HA 0.244 4.985 4.740 0.002 0.000 0.260 81 N C -1.393 173.750 175.510 -0.613 0.000 1.152 81 N CA 0.028 52.726 53.050 -0.587 0.000 0.948 81 N CB 0.894 39.096 38.487 -0.474 0.000 1.111 81 N HN 0.491 nan 8.380 nan 0.000 0.485 82 V N 4.865 124.584 119.914 -0.326 0.000 2.686 82 V HA 0.494 4.615 4.120 0.002 0.000 0.306 82 V C 0.340 176.335 176.094 -0.166 0.000 1.065 82 V CA -0.410 61.793 62.300 -0.160 0.000 0.894 82 V CB 0.265 32.121 31.823 0.054 0.000 1.004 82 V HN 1.046 nan 8.190 nan 0.000 0.424 83 C N 4.375 123.592 119.300 -0.138 0.000 0.168 83 C HA -0.242 4.219 4.460 0.002 0.000 0.017 83 C C 1.322 176.185 174.990 -0.210 0.000 0.171 83 C CA 0.956 59.892 59.018 -0.137 0.000 0.499 83 C CB -1.497 26.183 27.740 -0.100 0.000 3.212 83 C HN 1.025 nan 8.230 nan 0.000 1.118 84 N N 2.719 121.302 118.700 -0.194 0.000 2.378 84 N HA 0.203 4.945 4.740 0.002 0.000 0.243 84 N C 0.138 175.456 175.510 -0.320 0.000 1.137 84 N CA 0.285 53.191 53.050 -0.239 0.000 0.862 84 N CB -0.247 38.152 38.487 -0.146 0.000 1.116 84 N HN 0.721 nan 8.380 nan 0.000 0.499 85 R N -1.207 119.056 120.500 -0.394 0.000 2.888 85 R HA 0.479 4.821 4.340 0.002 0.000 0.264 85 R C -1.357 174.621 176.300 -0.536 0.000 1.045 85 R CA -0.752 55.126 56.100 -0.371 0.000 0.962 85 R CB 0.860 31.064 30.300 -0.161 0.000 1.210 85 R HN -0.148 nan 8.270 nan 0.000 0.479 86 Y N 1.124 121.400 120.300 -0.040 0.000 2.345 86 Y HA 0.342 4.894 4.550 0.003 0.000 0.331 86 Y C 0.215 176.119 175.900 0.006 0.000 0.959 86 Y CA -1.019 57.068 58.100 -0.022 0.000 1.204 86 Y CB 1.534 39.977 38.460 -0.029 0.000 1.135 86 Y HN 0.260 nan 8.280 nan 0.000 0.477 87 L N 3.557 124.877 121.223 0.160 0.000 2.529 87 L HA 0.110 4.451 4.340 0.002 0.000 0.287 87 L C -0.190 176.736 176.870 0.092 0.000 1.241 87 L CA -0.191 54.723 54.840 0.123 0.000 0.857 87 L CB 0.107 42.267 42.059 0.169 0.000 1.113 87 L HN 0.337 nan 8.230 nan 0.000 0.504 88 V N 3.705 123.634 119.914 0.026 0.000 2.409 88 V HA 0.371 4.492 4.120 0.002 0.000 0.291 88 V C -0.199 175.868 176.094 -0.046 0.000 1.020 88 V CA -0.507 61.788 62.300 -0.008 0.000 0.848 88 V CB 1.961 33.767 31.823 -0.029 0.000 0.990 88 V HN 0.502 nan 8.190 nan 0.000 0.430 89 V N 7.623 127.518 119.914 -0.032 0.000 2.487 89 V HA 0.754 4.875 4.120 0.002 0.000 0.298 89 V C -1.068 174.976 176.094 -0.083 0.000 1.028 89 V CA -0.239 62.031 62.300 -0.050 0.000 0.860 89 V CB 1.574 33.400 31.823 0.005 0.000 0.991 89 V HN 0.720 nan 8.190 nan 0.000 0.427 90 L N 5.795 126.989 121.223 -0.048 0.000 2.354 90 L HA 0.595 4.937 4.340 0.002 0.000 0.264 90 L C -0.884 175.998 176.870 0.021 0.000 1.008 90 L CA -0.880 53.950 54.840 -0.017 0.000 0.819 90 L CB 2.357 44.479 42.059 0.104 0.000 1.339 90 L HN 0.617 nan 8.230 nan 0.000 0.420 91 Y N 0.317 120.678 120.300 0.101 0.000 2.497 91 Y HA -0.016 4.535 4.550 0.002 0.000 0.334 91 Y C 0.231 176.239 175.900 0.180 0.000 1.199 91 Y CA 0.139 58.314 58.100 0.126 0.000 1.425 91 Y CB 0.324 38.829 38.460 0.076 0.000 1.291 91 Y HN 0.392 nan 8.280 nan 0.000 0.562 92 Y N 4.261 124.731 120.300 0.283 0.000 2.683 92 Y HA -0.051 4.501 4.550 0.002 0.000 0.340 92 Y C 0.035 176.014 175.900 0.132 0.000 1.245 92 Y CA 0.020 58.239 58.100 0.197 0.000 1.485 92 Y CB 0.369 38.928 38.460 0.165 0.000 1.328 92 Y HN 0.647 nan 8.280 nan 0.000 0.603 93 N N 3.961 122.271 118.700 -0.649 0.000 2.572 93 N HA 0.223 4.965 4.740 0.002 0.000 0.287 93 N C -0.300 174.744 175.510 -0.776 0.000 1.136 93 N CA 0.301 53.063 53.050 -0.481 0.000 0.900 93 N CB 1.698 40.072 38.487 -0.189 0.000 1.484 93 N HN 0.868 nan 8.380 nan 0.000 0.526 94 A N 3.507 125.987 122.820 -0.567 0.000 1.940 94 A HA -0.206 4.116 4.320 0.002 0.000 0.219 94 A C 1.876 179.453 177.584 -0.012 0.000 1.176 94 A CA 1.400 53.312 52.037 -0.207 0.000 0.631 94 A CB -0.430 18.666 19.000 0.160 0.000 0.814 94 A HN 0.803 nan 8.150 nan 0.000 0.446 95 N N -0.026 118.641 118.700 -0.055 0.000 2.058 95 N HA -0.192 4.550 4.740 0.002 0.000 0.191 95 N C 2.029 177.517 175.510 -0.036 0.000 1.037 95 N CA 1.628 54.674 53.050 -0.006 0.000 0.848 95 N CB -0.426 38.049 38.487 -0.021 0.000 1.021 95 N HN 0.568 nan 8.380 nan 0.000 0.422 96 R N 0.681 121.110 120.500 -0.118 0.000 2.083 96 R HA -0.104 4.237 4.340 0.002 0.000 0.237 96 R C 2.083 178.252 176.300 -0.218 0.000 1.137 96 R CA 1.556 57.566 56.100 -0.151 0.000 0.951 96 R CB -0.535 29.660 30.300 -0.175 0.000 0.851 96 R HN 0.254 nan 8.270 nan 0.000 0.434 97 A N 0.312 122.932 122.820 -0.333 0.000 1.958 97 A HA -0.171 4.151 4.320 0.002 0.000 0.221 97 A C 1.411 178.688 177.584 -0.513 0.000 1.178 97 A CA 1.409 53.180 52.037 -0.443 0.000 0.642 97 A CB -0.522 18.155 19.000 -0.539 0.000 0.816 97 A HN 0.409 nan 8.150 nan 0.000 0.453 98 F N -0.416 119.487 119.950 -0.079 0.000 2.819 98 F HA 0.228 4.756 4.527 0.002 0.000 0.294 98 F C 1.789 177.570 175.800 -0.033 0.000 1.166 98 F CA -0.142 57.836 58.000 -0.036 0.000 1.374 98 F CB -0.023 38.964 39.000 -0.023 0.000 0.956 98 F HN 0.253 nan 8.300 nan 0.000 0.509 99 Q N 0.411 120.229 119.800 0.031 0.000 2.096 99 Q HA -0.221 4.120 4.340 0.002 0.000 0.204 99 Q C 1.883 177.906 176.000 0.038 0.000 0.982 99 Q CA 1.524 57.341 55.803 0.023 0.000 0.850 99 Q CB 0.064 28.792 28.738 -0.016 0.000 0.901 99 Q HN 0.210 nan 8.270 nan 0.000 0.422 100 K N 0.080 120.500 120.400 0.033 0.000 2.504 100 K HA -0.021 4.300 4.320 0.002 0.000 0.195 100 K C 0.407 177.039 176.600 0.053 0.000 1.036 100 K CA 0.319 56.628 56.287 0.037 0.000 0.984 100 K CB 0.042 32.559 32.500 0.028 0.000 0.788 100 K HN 0.322 nan 8.250 nan 0.000 0.488 101 M N 1.205 120.853 119.600 0.080 0.000 2.249 101 M HA 0.183 4.665 4.480 0.002 0.000 0.351 101 M C -0.253 176.076 176.300 0.048 0.000 1.180 101 M CA -0.897 54.446 55.300 0.071 0.000 1.127 101 M CB 0.823 33.479 32.600 0.094 0.000 1.546 101 M HN -0.082 nan 8.290 nan 0.000 0.461 102 D N 1.511 121.932 120.400 0.034 0.000 2.362 102 D HA -0.065 4.576 4.640 0.002 0.000 0.238 102 D C 0.805 177.116 176.300 0.019 0.000 1.212 102 D CA 0.137 54.151 54.000 0.023 0.000 0.902 102 D CB 0.749 41.560 40.800 0.018 0.000 1.180 102 D HN 0.858 nan 8.370 nan 0.000 0.445 103 T N 0.522 115.084 114.554 0.013 0.000 2.653 103 T HA -0.305 4.046 4.350 0.002 0.000 0.267 103 T C 1.645 176.347 174.700 0.004 0.000 1.037 103 T CA 2.475 64.580 62.100 0.009 0.000 1.159 103 T CB -0.171 68.700 68.868 0.006 0.000 0.859 103 T HN 0.433 nan 8.240 nan 0.000 0.449 104 K N 0.266 120.667 120.400 0.001 0.000 2.001 104 K HA 0.074 4.395 4.320 0.002 0.000 0.208 104 K C 2.388 178.982 176.600 -0.011 0.000 1.048 104 K CA 1.160 57.444 56.287 -0.005 0.000 0.932 104 K CB -0.252 32.245 32.500 -0.005 0.000 0.715 104 K HN 0.095 nan 8.250 nan 0.000 0.437 105 K N 1.120 121.517 120.400 -0.005 0.000 2.103 105 K HA -0.125 4.196 4.320 0.002 0.000 0.207 105 K C 1.806 178.391 176.600 -0.026 0.000 1.048 105 K CA 1.504 57.785 56.287 -0.011 0.000 0.930 105 K CB -0.116 32.389 32.500 0.008 0.000 0.716 105 K HN 0.068 nan 8.250 nan 0.000 0.444 106 K N 0.476 120.874 120.400 -0.004 0.000 2.097 106 K HA -0.179 4.143 4.320 0.002 0.000 0.206 106 K C 1.971 178.545 176.600 -0.043 0.000 1.049 106 K CA 1.671 57.955 56.287 -0.005 0.000 0.933 106 K CB -0.052 32.470 32.500 0.036 0.000 0.717 106 K HN 0.213 nan 8.250 nan 0.000 0.442 107 E N 0.242 120.422 120.200 -0.033 0.000 2.072 107 E HA -0.179 4.173 4.350 0.002 0.000 0.191 107 E C 1.767 178.332 176.600 -0.060 0.000 0.985 107 E CA 1.240 57.616 56.400 -0.039 0.000 0.801 107 E CB 0.174 29.859 29.700 -0.025 0.000 0.750 107 E HN 0.395 nan 8.360 nan 0.000 0.452 108 E N 0.474 120.636 120.200 -0.064 0.000 2.028 108 E HA -0.258 4.094 4.350 0.002 0.000 0.191 108 E C 2.139 178.669 176.600 -0.115 0.000 0.988 108 E CA 0.993 57.348 56.400 -0.075 0.000 0.799 108 E CB -0.475 29.187 29.700 -0.063 0.000 0.755 108 E HN 0.152 nan 8.360 nan 0.000 0.447 109 Q N 1.290 120.992 119.800 -0.163 0.000 2.135 109 Q HA -0.087 4.254 4.340 0.002 0.000 0.204 109 Q C 2.253 178.071 176.000 -0.303 0.000 0.981 109 Q CA 1.221 56.853 55.803 -0.285 0.000 0.856 109 Q CB -0.324 28.145 28.738 -0.449 0.000 0.902 109 Q HN 0.342 nan 8.270 nan 0.000 0.425 110 L N -0.270 120.820 121.223 -0.222 0.000 2.044 110 L HA -0.134 4.207 4.340 0.002 0.000 0.205 110 L C 2.346 179.162 176.870 -0.089 0.000 1.075 110 L CA 1.294 56.050 54.840 -0.140 0.000 0.747 110 L CB -0.440 41.576 42.059 -0.072 0.000 0.903 110 L HN 0.157 nan 8.230 nan 0.000 0.435 111 K N 0.588 120.939 120.400 -0.081 0.000 2.103 111 K HA -0.211 4.110 4.320 0.002 0.000 0.207 111 K C 1.929 178.482 176.600 -0.078 0.000 1.048 111 K CA 1.346 57.594 56.287 -0.065 0.000 0.930 111 K CB -0.430 32.036 32.500 -0.057 0.000 0.716 111 K HN 0.065 nan 8.250 nan 0.000 0.444 112 L N 0.186 121.350 121.223 -0.100 0.000 2.017 112 L HA -0.072 4.270 4.340 0.002 0.000 0.208 112 L C 1.943 178.740 176.870 -0.123 0.000 1.073 112 L CA 1.485 56.257 54.840 -0.113 0.000 0.745 112 L CB -0.293 41.696 42.059 -0.117 0.000 0.894 112 L HN 0.201 nan 8.230 nan 0.000 0.432 113 L N -0.474 120.701 121.223 -0.079 0.000 2.083 113 L HA -0.257 4.084 4.340 0.002 0.000 0.209 113 L C 2.635 179.514 176.870 0.015 0.000 1.083 113 L CA 1.530 56.385 54.840 0.024 0.000 0.752 113 L CB -0.550 41.565 42.059 0.092 0.000 0.899 113 L HN 0.301 nan 8.230 nan 0.000 0.433 114 K N -0.235 120.156 120.400 -0.015 0.000 2.097 114 K HA -0.182 4.139 4.320 0.002 0.000 0.206 114 K C 2.000 178.569 176.600 -0.051 0.000 1.049 114 K CA 1.192 57.471 56.287 -0.013 0.000 0.933 114 K CB 0.157 32.647 32.500 -0.018 0.000 0.717 114 K HN 0.301 nan 8.250 nan 0.000 0.442 115 E N 0.780 120.923 120.200 -0.095 0.000 2.015 115 E HA -0.159 4.192 4.350 0.002 0.000 0.191 115 E C 1.961 178.452 176.600 -0.181 0.000 0.991 115 E CA 1.017 57.347 56.400 -0.118 0.000 0.802 115 E CB -0.068 29.558 29.700 -0.122 0.000 0.759 115 E HN 0.192 nan 8.360 nan 0.000 0.447 116 K N 0.265 120.460 120.400 -0.341 0.000 2.062 116 K HA -0.052 4.269 4.320 0.002 0.000 0.205 116 K C 2.094 178.379 176.600 -0.526 0.000 1.051 116 K CA 1.220 57.151 56.287 -0.594 0.000 0.941 116 K CB -0.326 31.504 32.500 -1.117 0.000 0.719 116 K HN 0.339 nan 8.250 nan 0.000 0.440 117 Y N -0.764 119.530 120.300 -0.010 0.000 2.426 117 Y HA 0.265 4.816 4.550 0.002 0.000 0.249 117 Y C 0.961 176.860 175.900 -0.001 0.000 1.103 117 Y CA -0.117 57.980 58.100 -0.005 0.000 1.256 117 Y CB 0.625 39.083 38.460 -0.003 0.000 1.208 117 Y HN 0.153 nan 8.280 nan 0.000 0.519 118 G N 2.470 111.325 108.800 0.092 0.000 2.350 118 G HA2 -0.298 3.663 3.960 0.002 0.000 0.298 118 G HA3 -0.298 3.663 3.960 0.002 0.000 0.298 118 G C -0.314 174.634 174.900 0.081 0.000 1.037 118 G CA 0.420 45.557 45.100 0.061 0.000 1.074 118 G HN 0.413 nan 8.290 nan 0.000 0.511 119 I N -2.061 118.573 120.570 0.106 0.000 2.498 119 I HA 0.605 4.776 4.170 0.002 0.000 0.301 119 I C 0.284 176.446 176.117 0.076 0.000 0.984 119 I CA -2.248 59.114 61.300 0.103 0.000 1.204 119 I CB 1.224 39.316 38.000 0.153 0.000 1.362 119 I HN 0.158 nan 8.210 nan 0.000 0.471 120 N N 2.743 121.479 118.700 0.060 0.000 2.357 120 N HA -0.042 4.700 4.740 0.002 0.000 0.257 120 N C 0.541 176.075 175.510 0.041 0.000 1.250 120 N CA 0.799 53.871 53.050 0.038 0.000 0.862 120 N CB 0.584 39.084 38.487 0.023 0.000 1.066 120 N HN 0.828 nan 8.380 nan 0.000 0.468 121 T N 1.596 116.164 114.554 0.023 0.000 3.044 121 T HA 0.136 4.487 4.350 0.002 0.000 0.260 121 T C -0.769 173.934 174.700 0.005 0.000 1.019 121 T CA -0.263 61.847 62.100 0.017 0.000 0.921 121 T CB -0.058 68.816 68.868 0.009 0.000 1.053 121 T HN 0.545 nan 8.240 nan 0.000 0.533 122 D N 2.920 123.321 120.400 0.001 0.000 2.313 122 D HA 0.310 4.951 4.640 0.002 0.000 0.247 122 D C -2.363 173.931 176.300 -0.010 0.000 1.094 122 D CA -1.872 52.126 54.000 -0.004 0.000 0.925 122 D CB 0.898 41.697 40.800 -0.003 0.000 1.188 122 D HN 0.128 nan 8.370 nan 0.000 0.430 123 P HA 0.069 nan 4.420 nan 0.000 0.270 123 P C -2.429 174.863 177.300 -0.014 0.000 1.221 123 P CA -0.757 62.334 63.100 -0.014 0.000 0.788 123 P CB -0.460 31.235 31.700 -0.008 0.000 0.904 124 P HA 0.018 nan 4.420 nan 0.000 0.260 124 P C -1.675 175.628 177.300 0.006 0.000 1.207 124 P CA 0.140 63.239 63.100 -0.002 0.000 0.780 124 P CB 0.684 32.385 31.700 0.002 0.000 0.789 125 K N 0.000 120.405 120.400 0.009 0.000 2.780 125 K HA 0.000 4.321 4.320 0.002 0.000 0.191 125 K CA 0.000 56.292 56.287 0.008 0.000 0.838 125 K CB 0.000 32.503 32.500 0.005 0.000 1.064 125 K HN 0.000 nan 8.250 nan 0.000 0.543