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 1bm7_1_B DATA FIRST_RESID 10 DATA SEQUENCE CPLMVKVLDA VRGSPAINVA VHVFRKAADD TWEPFASGKT SESGELHGLT DATA SEQUENCE TEEEFVEGIY KVEIDTKSYW KALGISPFHE HAEVVFTAND SGPRRYTIAA DATA SEQUENCE LLSPYSYSTT AVVT 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 10 C HA 0.000 nan 4.460 nan 0.000 0.325 10 C C 0.000 174.992 174.990 0.003 0.000 1.270 10 C CA 0.000 59.017 59.018 -0.002 0.000 1.963 10 C CB 0.000 27.741 27.740 0.002 0.000 2.134 11 P HA 0.172 nan 4.420 nan 0.000 0.249 11 P C -0.066 177.228 177.300 -0.009 0.000 1.229 11 P CA 0.528 63.669 63.100 0.069 0.000 0.788 11 P CB 0.461 32.320 31.700 0.263 0.000 1.072 12 L N 0.177 121.283 121.223 -0.195 0.000 2.441 12 L HA 0.556 4.896 4.340 0.000 0.000 0.270 12 L C -1.001 175.805 176.870 -0.108 0.000 0.973 12 L CA -0.732 53.987 54.840 -0.202 0.000 0.842 12 L CB 2.024 43.759 42.059 -0.540 0.000 1.239 12 L HN -0.212 nan 8.230 nan 0.000 0.406 13 M N 5.016 124.582 119.600 -0.057 0.000 2.530 13 M HA 0.682 5.163 4.480 0.000 0.000 0.307 13 M C -1.829 174.407 176.300 -0.107 0.000 1.161 13 M CA -0.699 54.547 55.300 -0.090 0.000 0.903 13 M CB 2.227 34.797 32.600 -0.050 0.000 1.711 13 M HN 0.390 nan 8.290 nan 0.000 0.451 14 V N 3.783 123.602 119.914 -0.158 0.000 2.604 14 V HA 0.559 4.679 4.120 0.000 0.000 0.305 14 V C -0.791 175.203 176.094 -0.165 0.000 1.043 14 V CA -0.773 61.448 62.300 -0.132 0.000 0.888 14 V CB 2.133 33.888 31.823 -0.113 0.000 0.995 14 V HN 0.826 nan 8.190 nan 0.000 0.429 15 K N 3.212 123.536 120.400 -0.126 0.000 2.397 15 K HA 0.820 5.140 4.320 0.000 0.000 0.253 15 K C -1.912 174.622 176.600 -0.110 0.000 0.932 15 K CA -0.476 55.738 56.287 -0.123 0.000 0.795 15 K CB 2.218 34.663 32.500 -0.092 0.000 1.159 15 K HN 0.476 nan 8.250 nan 0.000 0.424 16 V N 5.493 125.329 119.914 -0.130 0.000 2.531 16 V HA 0.486 4.606 4.120 0.000 0.000 0.301 16 V C -0.660 175.345 176.094 -0.149 0.000 1.034 16 V CA -0.879 61.329 62.300 -0.152 0.000 0.865 16 V CB 1.494 33.183 31.823 -0.224 0.000 0.995 16 V HN 0.696 nan 8.190 nan 0.000 0.424 17 L N 2.873 124.031 121.223 -0.108 0.000 2.319 17 L HA 0.683 5.023 4.340 0.000 0.000 0.267 17 L C -0.650 176.187 176.870 -0.056 0.000 1.011 17 L CA -0.610 54.190 54.840 -0.068 0.000 0.818 17 L CB 2.109 44.160 42.059 -0.013 0.000 1.316 17 L HN 0.538 nan 8.230 nan 0.000 0.432 18 D N 0.742 121.142 120.400 -0.001 0.000 2.349 18 D HA 0.377 5.017 4.640 0.000 0.000 0.232 18 D C 0.332 176.742 176.300 0.183 0.000 1.071 18 D CA -0.320 53.745 54.000 0.108 0.000 0.832 18 D CB 2.260 43.142 40.800 0.137 0.000 1.086 18 D HN 0.609 nan 8.370 nan 0.000 0.504 19 A N 3.296 126.267 122.820 0.252 0.000 2.169 19 A HA 0.028 4.349 4.320 0.000 0.000 0.212 19 A C 1.860 179.566 177.584 0.203 0.000 1.153 19 A CA 0.476 52.631 52.037 0.197 0.000 0.756 19 A CB 0.181 19.290 19.000 0.181 0.000 0.813 19 A HN 0.481 nan 8.150 nan 0.000 0.471 20 V N -0.827 119.269 119.914 0.302 0.000 2.599 20 V HA -0.042 4.078 4.120 0.000 0.000 0.245 20 V C 2.353 178.567 176.094 0.200 0.000 1.046 20 V CA 1.724 64.174 62.300 0.250 0.000 1.065 20 V CB -0.465 31.559 31.823 0.335 0.000 0.703 20 V HN 0.495 nan 8.190 nan 0.000 0.464 21 R N -0.170 120.458 120.500 0.213 0.000 2.308 21 R HA 0.335 4.675 4.340 0.000 0.000 0.202 21 R C 1.370 177.735 176.300 0.107 0.000 0.898 21 R CA 0.674 56.861 56.100 0.146 0.000 1.046 21 R CB 0.522 30.909 30.300 0.144 0.000 1.026 21 R HN 0.494 nan 8.270 nan 0.000 0.512 22 G N 1.376 110.242 108.800 0.110 0.000 2.256 22 G HA2 -0.276 3.684 3.960 0.000 0.000 0.272 22 G HA3 -0.276 3.684 3.960 0.000 0.000 0.272 22 G C -0.200 174.737 174.900 0.062 0.000 1.076 22 G CA 0.428 45.574 45.100 0.078 0.000 0.882 22 G HN 0.425 nan 8.290 nan 0.000 0.497 23 S N -1.916 113.824 115.700 0.066 0.000 2.671 23 S HA 0.887 5.357 4.470 0.000 0.000 0.277 23 S C -3.233 171.383 174.600 0.027 0.000 1.165 23 S CA -1.618 56.610 58.200 0.046 0.000 0.822 23 S CB 2.874 66.107 63.200 0.055 0.000 1.150 23 S HN 0.073 nan 8.310 nan 0.000 0.479 24 P HA 0.419 nan 4.420 nan 0.000 0.272 24 P C -1.121 176.152 177.300 -0.046 0.000 1.223 24 P CA -0.259 62.824 63.100 -0.029 0.000 0.784 24 P CB 0.351 32.037 31.700 -0.024 0.000 0.923 25 A N 3.573 126.302 122.820 -0.153 0.000 2.316 25 A HA 0.393 4.713 4.320 0.000 0.000 0.311 25 A C 0.067 177.550 177.584 -0.168 0.000 1.339 25 A CA -0.415 51.435 52.037 -0.311 0.000 0.960 25 A CB -0.911 17.641 19.000 -0.746 0.000 1.152 25 A HN 0.443 nan 8.150 nan 0.000 0.547 26 I N 1.885 122.461 120.570 0.009 0.000 2.396 26 I HA 0.193 4.363 4.170 0.000 0.000 0.292 26 I C 0.538 176.682 176.117 0.045 0.000 0.999 26 I CA -0.342 60.967 61.300 0.014 0.000 1.310 26 I CB 0.858 38.878 38.000 0.034 0.000 1.404 26 I HN 0.788 nan 8.210 nan 0.000 0.496 27 N N 2.494 121.193 118.700 -0.001 0.000 2.754 27 N HA -0.140 4.600 4.740 0.000 0.000 0.248 27 N C -0.922 174.594 175.510 0.011 0.000 1.093 27 N CA 0.342 53.394 53.050 0.004 0.000 0.699 27 N CB -0.817 37.681 38.487 0.018 0.000 1.016 27 N HN 0.286 nan 8.380 nan 0.000 0.552 28 V N 0.301 120.190 119.914 -0.042 0.000 2.498 28 V HA 0.645 4.765 4.120 0.000 0.000 0.279 28 V C 0.985 177.043 176.094 -0.060 0.000 1.048 28 V CA -0.422 61.839 62.300 -0.064 0.000 0.967 28 V CB 1.384 33.083 31.823 -0.207 0.000 0.988 28 V HN 0.367 nan 8.190 nan 0.000 0.473 29 A N 5.326 128.135 122.820 -0.018 0.000 2.409 29 A HA 0.623 4.943 4.320 0.000 0.000 0.262 29 A C -0.395 177.170 177.584 -0.033 0.000 1.113 29 A CA -0.197 51.828 52.037 -0.019 0.000 0.790 29 A CB 0.433 19.484 19.000 0.085 0.000 1.046 29 A HN 0.698 nan 8.150 nan 0.000 0.496 30 V N 3.845 123.675 119.914 -0.140 0.000 2.531 30 V HA 0.366 4.486 4.120 0.000 0.000 0.301 30 V C -0.942 174.967 176.094 -0.309 0.000 1.034 30 V CA -0.499 61.725 62.300 -0.127 0.000 0.865 30 V CB 1.604 33.349 31.823 -0.130 0.000 0.995 30 V HN 0.988 nan 8.190 nan 0.000 0.424 31 H N 2.115 121.138 119.070 -0.078 0.000 2.505 31 H HA 0.710 5.266 4.556 0.001 0.000 0.338 31 H C -0.615 174.576 175.328 -0.228 0.000 1.057 31 H CA -0.461 55.477 56.048 -0.184 0.000 1.202 31 H CB 2.015 31.706 29.762 -0.119 0.000 1.466 31 H HN 0.447 nan 8.280 nan 0.000 0.499 32 V N 4.767 124.520 119.914 -0.269 0.000 2.459 32 V HA 0.408 4.529 4.120 0.000 0.000 0.295 32 V C -0.670 175.236 176.094 -0.313 0.000 1.029 32 V CA -0.648 61.601 62.300 -0.084 0.000 0.874 32 V CB 0.656 32.575 31.823 0.160 0.000 0.985 32 V HN 0.528 nan 8.190 nan 0.000 0.438 33 F N 2.642 122.691 119.950 0.165 0.000 2.593 33 F HA 0.749 5.276 4.527 0.001 0.000 0.320 33 F C 0.149 176.090 175.800 0.236 0.000 1.060 33 F CA -0.920 57.224 58.000 0.239 0.000 0.940 33 F CB 1.875 40.973 39.000 0.164 0.000 1.268 33 F HN 0.304 nan 8.300 nan 0.000 0.475 34 R N 1.428 122.167 120.500 0.399 0.000 2.621 34 R HA 0.403 4.743 4.340 0.000 0.000 0.292 34 R C -1.120 175.143 176.300 -0.062 0.000 0.969 34 R CA -0.920 55.108 56.100 -0.120 0.000 0.887 34 R CB 1.656 31.696 30.300 -0.433 0.000 1.180 34 R HN 0.705 nan 8.270 nan 0.000 0.450 35 K N 2.429 122.576 120.400 -0.423 0.000 2.379 35 K HA 0.249 4.569 4.320 0.000 0.000 0.284 35 K C -0.542 175.813 176.600 -0.408 0.000 1.044 35 K CA -0.007 55.851 56.287 -0.715 0.000 0.974 35 K CB 1.053 32.990 32.500 -0.938 0.000 0.962 35 K HN 0.645 nan 8.250 nan 0.000 0.474 36 A N 3.236 125.863 122.820 -0.321 0.000 2.271 36 A HA 0.464 4.784 4.320 0.000 0.000 0.288 36 A C 1.166 178.632 177.584 -0.197 0.000 1.094 36 A CA 0.253 52.175 52.037 -0.192 0.000 0.828 36 A CB 0.680 19.610 19.000 -0.115 0.000 1.091 36 A HN 0.924 nan 8.150 nan 0.000 0.493 37 A N 0.519 123.258 122.820 -0.134 0.000 1.948 37 A HA -0.183 4.137 4.320 0.000 0.000 0.220 37 A C 1.304 178.817 177.584 -0.119 0.000 1.177 37 A CA 2.038 54.005 52.037 -0.115 0.000 0.636 37 A CB -0.666 18.288 19.000 -0.078 0.000 0.815 37 A HN 0.861 nan 8.150 nan 0.000 0.449 38 D N -1.296 119.036 120.400 -0.113 0.000 2.325 38 D HA 0.099 4.739 4.640 0.000 0.000 0.234 38 D C -0.648 175.566 176.300 -0.144 0.000 1.122 38 D CA 0.541 54.479 54.000 -0.104 0.000 0.850 38 D CB -0.526 40.230 40.800 -0.075 0.000 0.921 38 D HN 0.327 nan 8.370 nan 0.000 0.513 39 D N 0.406 120.682 120.400 -0.206 0.000 2.723 39 D HA -0.140 4.501 4.640 0.000 0.000 0.236 39 D C -0.409 175.678 176.300 -0.355 0.000 1.138 39 D CA 1.391 55.214 54.000 -0.295 0.000 0.676 39 D CB -1.509 39.160 40.800 -0.217 0.000 1.069 39 D HN 0.545 nan 8.370 nan 0.000 0.430 40 T N -3.922 110.431 114.554 -0.336 0.000 2.932 40 T HA 0.630 4.980 4.350 0.000 0.000 0.289 40 T C -0.148 174.343 174.700 -0.348 0.000 1.039 40 T CA -0.949 60.985 62.100 -0.276 0.000 1.024 40 T CB 1.183 69.996 68.868 -0.090 0.000 1.090 40 T HN 0.173 nan 8.240 nan 0.000 0.496 41 W N 1.365 122.637 121.300 -0.047 0.000 2.387 41 W HA 0.421 5.081 4.660 -0.001 0.000 0.310 41 W C 0.712 177.318 176.519 0.143 0.000 1.181 41 W CA -0.561 56.783 57.345 -0.001 0.000 1.333 41 W CB 0.532 29.887 29.460 -0.176 0.000 1.286 41 W HN 0.629 nan 8.180 nan 0.000 0.455 42 E N 4.287 124.726 120.200 0.399 0.000 2.249 42 E HA 0.226 4.576 4.350 0.000 0.000 0.280 42 E C -2.114 174.758 176.600 0.454 0.000 1.016 42 E CA -2.010 54.592 56.400 0.337 0.000 0.830 42 E CB 1.229 31.043 29.700 0.190 0.000 1.081 42 E HN -0.063 nan 8.360 nan 0.000 0.395 43 P HA -0.045 nan 4.420 nan 0.000 0.268 43 P C -0.805 176.563 177.300 0.114 0.000 1.204 43 P CA 0.482 63.628 63.100 0.076 0.000 0.768 43 P CB 0.391 32.136 31.700 0.074 0.000 0.842 44 F N 3.379 123.241 119.950 -0.146 0.000 2.531 44 F HA 0.606 5.133 4.527 -0.000 0.000 0.273 44 F C -0.041 175.724 175.800 -0.058 0.000 0.960 44 F CA 0.490 58.477 58.000 -0.021 0.000 1.207 44 F CB 0.328 39.389 39.000 0.102 0.000 1.012 44 F HN 0.354 nan 8.300 nan 0.000 0.738 45 A N -0.226 122.510 122.820 -0.140 0.000 2.608 45 A HA 0.674 4.994 4.320 0.000 0.000 0.292 45 A C -1.150 176.306 177.584 -0.213 0.000 1.066 45 A CA 0.086 51.989 52.037 -0.223 0.000 0.676 45 A CB 0.704 19.576 19.000 -0.215 0.000 1.277 45 A HN 0.523 nan 8.150 nan 0.000 0.413 46 S N -0.670 114.884 115.700 -0.244 0.000 2.625 46 S HA 0.990 5.460 4.470 0.000 0.000 0.271 46 S C -0.177 174.260 174.600 -0.271 0.000 1.161 46 S CA -0.074 57.911 58.200 -0.358 0.000 0.820 46 S CB 1.264 64.126 63.200 -0.563 0.000 1.137 46 S HN 2.679 nan 8.310 nan 0.000 0.470 47 G N 0.257 108.881 108.800 -0.294 0.000 2.340 47 G HA2 0.545 4.505 3.960 0.000 0.000 0.299 47 G HA3 0.545 4.505 3.960 0.000 0.000 0.299 47 G C -2.359 172.440 174.900 -0.169 0.000 1.291 47 G CA -0.895 44.093 45.100 -0.187 0.000 0.841 47 G HN 0.716 nan 8.290 nan 0.000 0.500 48 K N 0.502 120.834 120.400 -0.114 0.000 2.378 48 K HA 0.592 4.912 4.320 0.000 0.000 0.252 48 K C 0.027 176.576 176.600 -0.084 0.000 0.931 48 K CA -0.626 55.608 56.287 -0.088 0.000 0.794 48 K CB 2.083 34.549 32.500 -0.057 0.000 1.181 48 K HN 0.826 nan 8.250 nan 0.000 0.425 49 T N -0.626 113.872 114.554 -0.092 0.000 2.926 49 T HA 0.071 4.421 4.350 0.000 0.000 0.307 49 T C 0.843 175.505 174.700 -0.063 0.000 1.059 49 T CA -0.630 61.411 62.100 -0.099 0.000 1.122 49 T CB 0.844 69.636 68.868 -0.125 0.000 0.972 49 T HN 0.573 nan 8.240 nan 0.000 0.545 50 S N 1.781 117.450 115.700 -0.052 0.000 2.625 50 S HA 0.183 4.654 4.470 0.000 0.000 0.262 50 S C 1.111 175.701 174.600 -0.017 0.000 1.223 50 S CA -0.799 57.389 58.200 -0.020 0.000 0.993 50 S CB 0.242 63.447 63.200 0.008 0.000 1.051 50 S HN 0.758 nan 8.310 nan 0.000 0.562 51 E N 0.595 120.794 120.200 -0.003 0.000 2.409 51 E HA -0.065 4.285 4.350 0.000 0.000 0.198 51 E C 1.529 178.128 176.600 -0.001 0.000 1.024 51 E CA 1.111 57.512 56.400 0.001 0.000 0.861 51 E CB -0.224 29.480 29.700 0.005 0.000 0.788 51 E HN 0.744 nan 8.360 nan 0.000 0.521 52 S N -1.337 114.362 115.700 -0.002 0.000 2.572 52 S HA 0.292 4.762 4.470 0.000 0.000 0.228 52 S C 1.384 175.967 174.600 -0.029 0.000 0.963 52 S CA 0.315 58.513 58.200 -0.003 0.000 0.939 52 S CB 0.608 63.819 63.200 0.019 0.000 0.804 52 S HN 0.218 nan 8.310 nan 0.000 0.480 53 G N 0.698 109.467 108.800 -0.051 0.000 2.153 53 G HA2 -0.248 3.713 3.960 0.000 0.000 0.252 53 G HA3 -0.248 3.713 3.960 0.000 0.000 0.252 53 G C -0.285 174.543 174.900 -0.120 0.000 0.994 53 G CA 0.371 45.417 45.100 -0.091 0.000 0.698 53 G HN 0.629 nan 8.290 nan 0.000 0.521 54 E N -1.112 119.012 120.200 -0.126 0.000 2.221 54 E HA 0.719 5.069 4.350 0.000 0.000 0.268 54 E C -0.876 175.541 176.600 -0.305 0.000 0.933 54 E CA -1.084 55.167 56.400 -0.247 0.000 0.809 54 E CB 2.152 31.674 29.700 -0.296 0.000 1.190 54 E HN 0.181 nan 8.360 nan 0.000 0.406 55 L N 2.785 123.754 121.223 -0.423 0.000 2.457 55 L HA 0.361 4.701 4.340 0.000 0.000 0.266 55 L C -1.612 175.047 176.870 -0.352 0.000 0.979 55 L CA -0.193 54.469 54.840 -0.296 0.000 0.857 55 L CB 0.610 42.556 42.059 -0.190 0.000 1.213 55 L HN 0.593 nan 8.230 nan 0.000 0.418 56 H N 2.444 121.475 119.070 -0.065 0.000 2.713 56 H HA 0.765 5.321 4.556 0.001 0.000 0.340 56 H C 0.832 176.116 175.328 -0.073 0.000 1.271 56 H CA -0.441 55.569 56.048 -0.065 0.000 1.306 56 H CB 1.205 30.936 29.762 -0.052 0.000 1.839 56 H HN 0.707 nan 8.280 nan 0.000 0.627 57 G N 0.100 108.947 108.800 0.080 0.000 2.249 57 G HA2 -0.281 3.679 3.960 0.000 0.000 0.273 57 G HA3 -0.281 3.679 3.960 0.000 0.000 0.273 57 G C 0.605 175.475 174.900 -0.050 0.000 1.036 57 G CA 0.711 45.812 45.100 0.000 0.000 0.824 57 G HN 0.499 nan 8.290 nan 0.000 0.504 58 L N -0.549 120.631 121.223 -0.072 0.000 2.179 58 L HA 0.160 4.500 4.340 0.000 0.000 0.208 58 L C 1.734 178.524 176.870 -0.133 0.000 1.096 58 L CA 1.774 56.551 54.840 -0.105 0.000 0.779 58 L CB -0.223 41.780 42.059 -0.094 0.000 0.922 58 L HN 0.575 nan 8.230 nan 0.000 0.443 59 T N -3.790 110.695 114.554 -0.116 0.000 2.681 59 T HA 0.485 4.835 4.350 0.000 0.000 0.296 59 T C -0.400 174.278 174.700 -0.036 0.000 1.157 59 T CA -0.556 61.491 62.100 -0.087 0.000 1.025 59 T CB 1.817 70.680 68.868 -0.009 0.000 1.441 59 T HN 0.018 nan 8.240 nan 0.000 0.504 60 T N -1.980 112.596 114.554 0.037 0.000 2.916 60 T HA 0.592 4.942 4.350 0.000 0.000 0.292 60 T C 0.595 175.393 174.700 0.163 0.000 1.055 60 T CA -0.635 61.505 62.100 0.067 0.000 1.009 60 T CB 2.237 71.135 68.868 0.050 0.000 1.118 60 T HN 0.586 nan 8.240 nan 0.000 0.497 61 E N -0.069 120.227 120.200 0.160 0.000 2.347 61 E HA -0.064 4.286 4.350 0.000 0.000 0.196 61 E C 1.808 178.532 176.600 0.207 0.000 1.008 61 E CA 0.827 57.366 56.400 0.231 0.000 0.852 61 E CB -0.075 29.731 29.700 0.176 0.000 0.783 61 E HN 0.624 nan 8.360 nan 0.000 0.505 62 E N 0.432 120.724 120.200 0.153 0.000 2.072 62 E HA -0.186 4.164 4.350 0.000 0.000 0.191 62 E C 1.755 178.456 176.600 0.169 0.000 0.985 62 E CA 1.081 57.559 56.400 0.129 0.000 0.801 62 E CB -0.063 29.690 29.700 0.088 0.000 0.750 62 E HN 0.508 nan 8.360 nan 0.000 0.452 63 E N -0.874 119.450 120.200 0.207 0.000 2.285 63 E HA -0.119 4.231 4.350 0.000 0.000 0.194 63 E C 0.063 176.966 176.600 0.505 0.000 0.997 63 E CA -0.077 56.489 56.400 0.276 0.000 0.845 63 E CB 0.006 29.810 29.700 0.173 0.000 0.782 63 E HN -0.029 nan 8.360 nan 0.000 0.491 64 F N 3.507 123.614 119.950 0.262 0.000 2.567 64 F HA 0.168 4.695 4.527 0.000 0.000 0.352 64 F C -0.035 175.861 175.800 0.160 0.000 1.229 64 F CA -1.224 56.916 58.000 0.233 0.000 1.228 64 F CB -0.171 38.910 39.000 0.136 0.000 1.568 64 F HN -0.173 nan 8.300 nan 0.000 0.634 65 V N 1.326 121.313 119.914 0.121 0.000 3.262 65 V HA 0.467 4.587 4.120 0.000 0.000 0.313 65 V C 0.343 176.375 176.094 -0.103 0.000 1.070 65 V CA -1.151 61.146 62.300 -0.004 0.000 1.049 65 V CB 0.794 32.654 31.823 0.062 0.000 1.157 65 V HN 0.466 nan 8.190 nan 0.000 0.454 66 E N 0.696 120.847 120.200 -0.080 0.000 2.437 66 E HA 0.476 4.826 4.350 0.000 0.000 0.263 66 E C 0.320 176.887 176.600 -0.054 0.000 1.030 66 E CA 0.957 57.313 56.400 -0.074 0.000 0.934 66 E CB 0.542 30.215 29.700 -0.044 0.000 0.943 66 E HN 1.232 nan 8.360 nan 0.000 0.444 67 G N 1.278 110.044 108.800 -0.056 0.000 2.341 67 G HA2 0.218 4.178 3.960 0.000 0.000 0.293 67 G HA3 0.218 4.178 3.960 0.000 0.000 0.293 67 G C -1.454 173.313 174.900 -0.221 0.000 1.298 67 G CA -1.079 43.900 45.100 -0.202 0.000 0.868 67 G HN 0.384 nan 8.290 nan 0.000 0.540 68 I N 0.825 121.176 120.570 -0.365 0.000 2.339 68 I HA 0.481 4.651 4.170 0.000 0.000 0.290 68 I C -0.886 175.015 176.117 -0.359 0.000 0.994 68 I CA -0.643 60.507 61.300 -0.250 0.000 1.191 68 I CB 1.292 39.194 38.000 -0.163 0.000 1.343 68 I HN 0.402 nan 8.210 nan 0.000 0.458 69 Y N 5.157 125.246 120.300 -0.352 0.000 2.468 69 Y HA 0.489 5.040 4.550 0.001 0.000 0.342 69 Y C -0.004 175.725 175.900 -0.286 0.000 1.021 69 Y CA -0.844 57.066 58.100 -0.317 0.000 1.079 69 Y CB 1.813 39.852 38.460 -0.702 0.000 1.226 69 Y HN 0.361 nan 8.280 nan 0.000 0.460 70 K N 2.234 122.603 120.400 -0.051 0.000 2.463 70 K HA 0.648 4.968 4.320 0.000 0.000 0.255 70 K C -2.038 174.576 176.600 0.024 0.000 0.942 70 K CA -0.548 55.590 56.287 -0.249 0.000 0.814 70 K CB 1.318 33.181 32.500 -1.061 0.000 1.122 70 K HN 0.550 nan 8.250 nan 0.000 0.425 71 V N 4.219 124.185 119.914 0.087 0.000 2.350 71 V HA 0.252 4.372 4.120 0.000 0.000 0.276 71 V C -0.242 175.874 176.094 0.037 0.000 1.028 71 V CA -0.614 61.753 62.300 0.112 0.000 0.860 71 V CB 1.199 33.117 31.823 0.158 0.000 0.990 71 V HN 0.797 nan 8.190 nan 0.000 0.453 72 E N 5.405 125.636 120.200 0.052 0.000 2.158 72 E HA 0.531 4.881 4.350 0.000 0.000 0.271 72 E C -1.261 175.327 176.600 -0.021 0.000 0.911 72 E CA -0.637 55.736 56.400 -0.044 0.000 0.767 72 E CB 1.403 31.060 29.700 -0.072 0.000 1.120 72 E HN 0.646 nan 8.360 nan 0.000 0.405 73 I N 3.743 124.274 120.570 -0.065 0.000 2.339 73 I HA 0.110 4.280 4.170 0.000 0.000 0.290 73 I C -0.087 176.028 176.117 -0.003 0.000 0.994 73 I CA -0.716 60.551 61.300 -0.057 0.000 1.191 73 I CB 1.344 39.268 38.000 -0.128 0.000 1.343 73 I HN 0.469 nan 8.210 nan 0.000 0.458 74 D N 4.994 125.416 120.400 0.037 0.000 2.545 74 D HA -0.001 4.639 4.640 0.000 0.000 0.227 74 D C 1.519 177.857 176.300 0.063 0.000 1.150 74 D CA 0.024 54.076 54.000 0.087 0.000 1.046 74 D CB 0.528 41.390 40.800 0.104 0.000 1.098 74 D HN 0.671 nan 8.370 nan 0.000 0.502 75 T N -0.395 114.200 114.554 0.069 0.000 2.857 75 T HA -0.151 4.200 4.350 0.000 0.000 0.266 75 T C 1.828 176.658 174.700 0.216 0.000 1.048 75 T CA 0.715 62.867 62.100 0.088 0.000 1.139 75 T CB 0.007 68.960 68.868 0.143 0.000 0.874 75 T HN 0.246 nan 8.240 nan 0.000 0.455 76 K N 1.037 121.560 120.400 0.206 0.000 2.032 76 K HA -0.108 4.212 4.320 0.000 0.000 0.209 76 K C 2.585 179.287 176.600 0.169 0.000 1.048 76 K CA 1.623 58.032 56.287 0.203 0.000 0.927 76 K CB -0.355 32.208 32.500 0.105 0.000 0.712 76 K HN 0.349 nan 8.250 nan 0.000 0.441 77 S N -0.062 115.709 115.700 0.118 0.000 2.382 77 S HA -0.168 4.302 4.470 0.000 0.000 0.228 77 S C 1.571 176.204 174.600 0.055 0.000 1.027 77 S CA 1.216 59.463 58.200 0.080 0.000 0.991 77 S CB -0.451 62.790 63.200 0.068 0.000 0.823 77 S HN 0.424 nan 8.310 nan 0.000 0.469 78 Y N 0.829 121.070 120.300 -0.098 0.000 2.128 78 Y HA -0.216 4.334 4.550 0.000 0.000 0.284 78 Y C 1.830 177.585 175.900 -0.242 0.000 1.154 78 Y CA 1.484 59.435 58.100 -0.248 0.000 1.149 78 Y CB -0.508 37.685 38.460 -0.445 0.000 0.976 78 Y HN 0.295 nan 8.280 nan 0.000 0.505 79 W N 0.642 121.971 121.300 0.048 0.000 2.418 79 W HA -0.099 4.561 4.660 -0.000 0.000 0.292 79 W C 2.296 178.770 176.519 -0.074 0.000 1.213 79 W CA 0.626 57.947 57.345 -0.040 0.000 1.283 79 W CB -0.096 29.407 29.460 0.071 0.000 1.119 79 W HN -0.188 nan 8.180 nan 0.000 0.542 80 K N 0.407 120.908 120.400 0.169 0.000 2.097 80 K HA -0.119 4.201 4.320 0.000 0.000 0.206 80 K C 2.082 178.694 176.600 0.019 0.000 1.049 80 K CA 1.487 57.827 56.287 0.088 0.000 0.933 80 K CB -1.010 31.529 32.500 0.065 0.000 0.717 80 K HN 0.175 nan 8.250 nan 0.000 0.442 81 A N 0.601 123.392 122.820 -0.050 0.000 2.070 81 A HA -0.094 4.226 4.320 0.000 0.000 0.220 81 A C 1.785 179.307 177.584 -0.103 0.000 1.159 81 A CA 1.075 53.058 52.037 -0.090 0.000 0.656 81 A CB -0.202 18.715 19.000 -0.138 0.000 0.800 81 A HN 0.124 nan 8.150 nan 0.000 0.453 82 L N -1.330 119.830 121.223 -0.105 0.000 2.592 82 L HA 0.297 4.637 4.340 0.000 0.000 0.227 82 L C 1.666 178.557 176.870 0.036 0.000 1.127 82 L CA 0.995 55.806 54.840 -0.050 0.000 0.884 82 L CB -0.258 41.786 42.059 -0.026 0.000 1.065 82 L HN 0.536 nan 8.230 nan 0.000 0.457 83 G N -0.037 108.789 108.800 0.042 0.000 2.148 83 G HA2 -0.287 3.673 3.960 0.000 0.000 0.254 83 G HA3 -0.287 3.673 3.960 0.000 0.000 0.254 83 G C 0.328 175.273 174.900 0.075 0.000 0.981 83 G CA 0.201 45.332 45.100 0.051 0.000 0.670 83 G HN 0.300 nan 8.290 nan 0.000 0.528 84 I N 0.893 121.537 120.570 0.125 0.000 2.392 84 I HA 0.473 4.644 4.170 0.000 0.000 0.295 84 I C 0.562 176.741 176.117 0.103 0.000 0.985 84 I CA -0.612 60.758 61.300 0.116 0.000 1.221 84 I CB 1.987 40.085 38.000 0.162 0.000 1.366 84 I HN 0.069 nan 8.210 nan 0.000 0.467 85 S N 7.341 123.071 115.700 0.050 0.000 2.411 85 S HA 0.409 4.880 4.470 0.000 0.000 0.294 85 S C -2.159 172.399 174.600 -0.071 0.000 1.115 85 S CA -1.310 56.907 58.200 0.028 0.000 1.071 85 S CB 0.395 63.619 63.200 0.041 0.000 0.967 85 S HN 0.350 nan 8.310 nan 0.000 0.488 86 P HA 0.244 nan 4.420 nan 0.000 0.281 86 P C 0.325 177.420 177.300 -0.343 0.000 1.264 86 P CA -0.634 62.316 63.100 -0.250 0.000 0.824 86 P CB 0.732 32.474 31.700 0.070 0.000 1.092 87 F N 1.026 120.522 119.950 -0.758 0.000 2.179 87 F HA 0.059 4.587 4.527 0.001 0.000 0.292 87 F C 0.909 176.428 175.800 -0.469 0.000 1.089 87 F CA 0.846 58.403 58.000 -0.738 0.000 1.295 87 F CB -0.602 37.789 39.000 -1.016 0.000 1.041 87 F HN 0.307 nan 8.300 nan 0.000 0.487 88 H N 0.551 119.564 119.070 -0.094 0.000 2.562 88 H HA 0.154 4.711 4.556 0.000 0.000 0.352 88 H C 1.235 176.461 175.328 -0.170 0.000 1.125 88 H CA -0.133 55.841 56.048 -0.122 0.000 1.379 88 H CB 0.712 30.560 29.762 0.144 0.000 1.464 88 H HN 0.045 nan 8.280 nan 0.000 0.563 89 E N 1.626 121.712 120.200 -0.189 0.000 2.106 89 E HA -0.073 4.277 4.350 0.000 0.000 0.192 89 E C 0.355 176.812 176.600 -0.237 0.000 0.984 89 E CA 1.228 57.455 56.400 -0.289 0.000 0.806 89 E CB 0.132 29.536 29.700 -0.494 0.000 0.750 89 E HN 0.811 nan 8.360 nan 0.000 0.458 90 H N -3.681 115.423 119.070 0.058 0.000 2.868 90 H HA 0.598 5.154 4.556 0.000 0.000 0.278 90 H C -1.384 173.876 175.328 -0.113 0.000 1.454 90 H CA -0.730 55.311 56.048 -0.012 0.000 1.145 90 H CB 0.699 30.445 29.762 -0.027 0.000 1.808 90 H HN -0.034 nan 8.280 nan 0.000 0.500 91 A N 1.037 123.826 122.820 -0.052 0.000 2.317 91 A HA 0.509 4.830 4.320 0.000 0.000 0.327 91 A C -0.481 177.031 177.584 -0.119 0.000 1.178 91 A CA -0.686 51.099 52.037 -0.421 0.000 0.817 91 A CB 1.077 19.443 19.000 -1.056 0.000 1.189 91 A HN 0.571 nan 8.150 nan 0.000 0.489 92 E N 1.167 121.368 120.200 0.002 0.000 2.266 92 E HA 0.551 4.901 4.350 0.000 0.000 0.268 92 E C -1.486 175.158 176.600 0.073 0.000 0.879 92 E CA -0.853 55.549 56.400 0.003 0.000 0.762 92 E CB 2.439 32.134 29.700 -0.008 0.000 1.199 92 E HN 0.306 nan 8.360 nan 0.000 0.422 93 V N 2.374 122.335 119.914 0.080 0.000 2.443 93 V HA 0.280 4.401 4.120 0.000 0.000 0.293 93 V C -0.470 175.754 176.094 0.218 0.000 1.021 93 V CA -0.803 61.598 62.300 0.169 0.000 0.848 93 V CB 1.750 33.678 31.823 0.175 0.000 0.998 93 V HN 0.427 nan 8.190 nan 0.000 0.424 94 V N 6.649 126.694 119.914 0.220 0.000 2.448 94 V HA 0.722 4.842 4.120 0.000 0.000 0.295 94 V C -0.569 175.713 176.094 0.313 0.000 1.025 94 V CA -0.501 61.915 62.300 0.193 0.000 0.859 94 V CB 1.253 33.161 31.823 0.142 0.000 0.988 94 V HN 0.824 nan 8.190 nan 0.000 0.431 95 F N 1.256 121.282 119.950 0.126 0.000 2.654 95 F HA 0.744 5.271 4.527 0.001 0.000 0.308 95 F C -0.428 175.432 175.800 0.102 0.000 1.108 95 F CA -0.843 57.215 58.000 0.096 0.000 0.957 95 F CB 1.362 40.395 39.000 0.056 0.000 1.309 95 F HN 0.236 nan 8.300 nan 0.000 0.446 96 T N 2.411 117.076 114.554 0.185 0.000 2.806 96 T HA 0.725 5.075 4.350 0.000 0.000 0.290 96 T C -0.029 174.773 174.700 0.169 0.000 0.966 96 T CA -0.004 62.143 62.100 0.078 0.000 1.060 96 T CB 1.081 69.997 68.868 0.079 0.000 0.927 96 T HN 0.933 nan 8.240 nan 0.000 0.485 97 A N 2.899 125.733 122.820 0.024 0.000 2.322 97 A HA 0.646 4.966 4.320 0.000 0.000 0.327 97 A C 0.675 178.242 177.584 -0.029 0.000 1.134 97 A CA -1.047 50.949 52.037 -0.069 0.000 0.831 97 A CB 0.127 18.809 19.000 -0.530 0.000 1.288 97 A HN 0.962 nan 8.150 nan 0.000 0.472 98 N N 0.466 119.222 118.700 0.093 0.000 2.628 98 N HA -0.279 4.461 4.740 0.000 0.000 0.247 98 N C 0.516 176.047 175.510 0.036 0.000 1.157 98 N CA 0.941 54.028 53.050 0.061 0.000 0.729 98 N CB -0.628 37.804 38.487 -0.092 0.000 1.083 98 N HN 0.810 nan 8.380 nan 0.000 0.554 99 D N -0.754 119.681 120.400 0.058 0.000 2.315 99 D HA -0.129 4.511 4.640 0.000 0.000 0.211 99 D C 0.172 176.493 176.300 0.035 0.000 0.977 99 D CA 1.166 55.188 54.000 0.037 0.000 0.894 99 D CB -0.109 40.722 40.800 0.051 0.000 0.910 99 D HN 0.296 nan 8.370 nan 0.000 0.490 100 S N -0.132 115.597 115.700 0.048 0.000 2.558 100 S HA 0.556 5.026 4.470 0.000 0.000 0.238 100 S C 0.365 174.985 174.600 0.033 0.000 1.183 100 S CA -0.273 57.949 58.200 0.036 0.000 1.185 100 S CB 0.902 64.124 63.200 0.037 0.000 1.003 100 S HN 0.747 nan 8.310 nan 0.000 0.478 101 G N 3.119 111.937 108.800 0.030 0.000 2.758 101 G HA2 -0.120 3.840 3.960 0.000 0.000 0.686 101 G HA3 -0.120 3.840 3.960 0.000 0.000 0.686 101 G C -3.322 171.604 174.900 0.044 0.000 1.389 101 G CA -1.332 43.786 45.100 0.029 0.000 0.845 101 G HN 0.178 nan 8.290 nan 0.000 0.572 102 P HA 0.305 nan 4.420 nan 0.000 0.264 102 P C 0.128 177.474 177.300 0.077 0.000 1.193 102 P CA 0.495 63.650 63.100 0.091 0.000 0.763 102 P CB 0.823 32.583 31.700 0.100 0.000 0.810 103 R N 2.131 122.695 120.500 0.106 0.000 2.836 103 R HA 0.550 4.890 4.340 0.000 0.000 0.269 103 R C -0.518 175.734 176.300 -0.079 0.000 1.010 103 R CA -0.897 55.148 56.100 -0.092 0.000 0.930 103 R CB 1.509 31.606 30.300 -0.338 0.000 1.218 103 R HN 0.198 nan 8.270 nan 0.000 0.473 104 R N 1.131 121.517 120.500 -0.191 0.000 2.229 104 R HA 0.342 4.683 4.340 0.000 0.000 0.328 104 R C -1.284 174.857 176.300 -0.265 0.000 1.009 104 R CA -0.225 55.819 56.100 -0.093 0.000 0.864 104 R CB 0.660 30.933 30.300 -0.045 0.000 1.085 104 R HN 0.438 nan 8.270 nan 0.000 0.453 105 Y N 0.671 120.993 120.300 0.037 0.000 2.335 105 Y HA 0.402 4.952 4.550 0.001 0.000 0.338 105 Y C 0.237 176.088 175.900 -0.082 0.000 0.977 105 Y CA -0.582 57.496 58.100 -0.036 0.000 1.114 105 Y CB 2.198 40.638 38.460 -0.034 0.000 1.182 105 Y HN 0.400 nan 8.280 nan 0.000 0.463 106 T N 5.375 119.944 114.554 0.025 0.000 2.770 106 T HA 0.497 4.848 4.350 0.000 0.000 0.283 106 T C -0.531 174.144 174.700 -0.042 0.000 0.988 106 T CA -0.532 61.558 62.100 -0.016 0.000 0.957 106 T CB 0.406 69.257 68.868 -0.027 0.000 0.930 106 T HN 0.270 nan 8.240 nan 0.000 0.443 107 I N 3.368 123.902 120.570 -0.060 0.000 2.330 107 I HA 0.601 4.771 4.170 0.000 0.000 0.289 107 I C 0.353 176.438 176.117 -0.054 0.000 1.001 107 I CA -0.872 60.383 61.300 -0.074 0.000 1.193 107 I CB 0.720 38.675 38.000 -0.075 0.000 1.345 107 I HN 0.650 nan 8.210 nan 0.000 0.461 108 A N 5.438 128.236 122.820 -0.038 0.000 2.340 108 A HA 0.962 5.282 4.320 0.000 0.000 0.331 108 A C -0.529 177.049 177.584 -0.010 0.000 1.140 108 A CA -0.529 51.489 52.037 -0.032 0.000 0.801 108 A CB 1.703 20.689 19.000 -0.024 0.000 1.234 108 A HN 0.810 nan 8.150 nan 0.000 0.469 109 A N 0.871 123.681 122.820 -0.018 0.000 2.422 109 A HA 0.672 4.992 4.320 0.000 0.000 0.302 109 A C -1.479 176.115 177.584 0.016 0.000 1.041 109 A CA -0.401 51.644 52.037 0.014 0.000 0.708 109 A CB 1.292 20.271 19.000 -0.034 0.000 1.257 109 A HN 1.673 nan 8.150 nan 0.000 0.414 110 L N 3.096 124.366 121.223 0.078 0.000 2.325 110 L HA 0.719 5.060 4.340 0.000 0.000 0.281 110 L C -1.298 175.672 176.870 0.168 0.000 1.004 110 L CA -0.268 54.626 54.840 0.089 0.000 0.823 110 L CB 0.967 43.078 42.059 0.087 0.000 1.236 110 L HN 0.610 nan 8.230 nan 0.000 0.415 111 L N 4.109 125.444 121.223 0.187 0.000 2.325 111 L HA 0.747 5.088 4.340 0.000 0.000 0.278 111 L C 0.053 177.274 176.870 0.586 0.000 1.023 111 L CA -0.404 54.661 54.840 0.376 0.000 0.811 111 L CB 1.727 43.973 42.059 0.311 0.000 1.249 111 L HN 0.606 nan 8.230 nan 0.000 0.431 112 S N 1.326 117.340 115.700 0.522 0.000 2.595 112 S HA 0.435 4.906 4.470 0.000 0.000 0.281 112 S C -2.090 172.421 174.600 -0.148 0.000 1.117 112 S CA -0.911 57.421 58.200 0.220 0.000 0.873 112 S CB 2.474 65.760 63.200 0.143 0.000 1.108 112 S HN 0.345 nan 8.310 nan 0.000 0.477 113 P HA -0.087 nan 4.420 nan 0.000 0.215 113 P C 0.125 177.218 177.300 -0.345 0.000 1.157 113 P CA 1.496 64.097 63.100 -0.831 0.000 0.874 113 P CB 0.053 31.419 31.700 -0.556 0.000 0.790 114 Y N -1.972 118.267 120.300 -0.102 0.000 2.607 114 Y HA 0.442 4.992 4.550 0.000 0.000 0.266 114 Y C 0.769 176.750 175.900 0.134 0.000 1.178 114 Y CA -0.039 58.047 58.100 -0.023 0.000 1.226 114 Y CB 0.426 38.785 38.460 -0.168 0.000 1.144 114 Y HN -0.153 nan 8.280 nan 0.000 0.528 115 S N 0.036 115.941 115.700 0.341 0.000 2.547 115 S HA 0.648 5.118 4.470 0.000 0.000 0.270 115 S C -1.835 172.949 174.600 0.306 0.000 1.150 115 S CA -0.545 57.825 58.200 0.283 0.000 0.850 115 S CB 0.842 64.124 63.200 0.136 0.000 1.118 115 S HN 0.192 nan 8.310 nan 0.000 0.461 116 Y N -0.278 120.061 120.300 0.065 0.000 2.544 116 Y HA 0.840 5.390 4.550 0.000 0.000 0.342 116 Y C -0.922 174.987 175.900 0.016 0.000 1.062 116 Y CA -0.853 57.268 58.100 0.034 0.000 1.023 116 Y CB 1.139 39.592 38.460 -0.012 0.000 1.308 116 Y HN 0.450 nan 8.280 nan 0.000 0.457 117 S N 1.497 117.308 115.700 0.185 0.000 2.513 117 S HA 0.742 5.212 4.470 0.000 0.000 0.299 117 S C -1.023 173.675 174.600 0.165 0.000 1.087 117 S CA -0.747 57.506 58.200 0.089 0.000 1.012 117 S CB 1.878 65.113 63.200 0.059 0.000 1.044 117 S HN 0.824 nan 8.310 nan 0.000 0.485 118 T N 1.237 115.867 114.554 0.126 0.000 2.912 118 T HA 0.682 5.032 4.350 0.000 0.000 0.299 118 T C -0.999 173.735 174.700 0.057 0.000 1.052 118 T CA -0.287 61.881 62.100 0.113 0.000 0.996 118 T CB 1.756 70.723 68.868 0.165 0.000 1.070 118 T HN 0.553 nan 8.240 nan 0.000 0.465 119 T N 1.915 116.486 114.554 0.029 0.000 2.906 119 T HA 0.810 5.160 4.350 0.000 0.000 0.295 119 T C -1.405 173.286 174.700 -0.016 0.000 1.075 119 T CA -0.354 61.752 62.100 0.009 0.000 1.005 119 T CB 1.353 70.225 68.868 0.007 0.000 1.136 119 T HN 0.942 nan 8.240 nan 0.000 0.498 120 A N 2.230 125.034 122.820 -0.025 0.000 2.355 120 A HA 0.763 5.083 4.320 0.000 0.000 0.317 120 A C -1.082 176.481 177.584 -0.035 0.000 1.094 120 A CA -0.539 51.468 52.037 -0.050 0.000 0.764 120 A CB 1.420 20.377 19.000 -0.072 0.000 1.230 120 A HN 0.692 nan 8.150 nan 0.000 0.448 121 V N 3.263 123.152 119.914 -0.042 0.000 2.378 121 V HA 0.419 4.539 4.120 0.000 0.000 0.288 121 V C -0.423 175.621 176.094 -0.085 0.000 1.016 121 V CA -0.430 61.841 62.300 -0.048 0.000 0.840 121 V CB 1.277 33.075 31.823 -0.040 0.000 0.994 121 V HN 0.647 nan 8.190 nan 0.000 0.431 122 V N 4.944 124.791 119.914 -0.111 0.000 2.459 122 V HA 0.783 4.903 4.120 0.000 0.000 0.295 122 V C 0.347 176.330 176.094 -0.184 0.000 1.029 122 V CA -0.185 61.980 62.300 -0.226 0.000 0.874 122 V CB 1.938 33.625 31.823 -0.225 0.000 0.985 122 V HN 1.029 nan 8.190 nan 0.000 0.438 123 T N 0.000 114.425 114.554 -0.215 0.000 3.816 123 T HA 0.000 4.350 4.350 0.000 0.000 0.228 123 T CA 0.000 62.020 62.100 -0.133 0.000 1.349 123 T CB 0.000 68.816 68.868 -0.086 0.000 0.612 123 T HN 0.000 nan 8.240 nan 0.000 0.658