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 1fh2_1_A 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 0.000 175.011 174.990 0.036 0.000 1.270 10 C CA 0.000 59.023 59.018 0.008 0.000 1.963 10 C CB 0.000 27.735 27.740 -0.008 0.000 2.134 11 P HA 0.133 nan 4.420 nan 0.000 0.240 11 P C -0.109 177.260 177.300 0.115 0.000 1.190 11 P CA 0.446 63.635 63.100 0.148 0.000 0.781 11 P CB 0.595 32.471 31.700 0.294 0.000 0.931 12 L N 0.454 121.651 121.223 -0.043 0.000 2.482 12 L HA 0.489 4.829 4.340 0.001 0.000 0.269 12 L C -1.302 175.551 176.870 -0.028 0.000 0.967 12 L CA -0.766 54.028 54.840 -0.077 0.000 0.851 12 L CB 1.610 43.438 42.059 -0.385 0.000 1.242 12 L HN -0.228 nan 8.230 nan 0.000 0.404 13 M N 5.164 124.776 119.600 0.019 0.000 2.446 13 M HA 0.741 5.221 4.480 0.001 0.000 0.294 13 M C -1.251 175.040 176.300 -0.016 0.000 1.158 13 M CA -0.903 54.408 55.300 0.018 0.000 0.899 13 M CB 2.456 35.103 32.600 0.079 0.000 1.687 13 M HN 0.190 nan 8.290 nan 0.000 0.455 14 V N 1.763 121.640 119.914 -0.060 0.000 2.604 14 V HA 0.675 4.795 4.120 0.001 0.000 0.305 14 V C -0.794 175.241 176.094 -0.098 0.000 1.043 14 V CA -0.686 61.569 62.300 -0.075 0.000 0.888 14 V CB 2.197 33.968 31.823 -0.087 0.000 0.995 14 V HN 0.801 nan 8.190 nan 0.000 0.429 15 K N 3.062 123.413 120.400 -0.081 0.000 2.397 15 K HA 0.788 5.109 4.320 0.001 0.000 0.253 15 K C -1.711 174.832 176.600 -0.094 0.000 0.932 15 K CA -0.397 55.839 56.287 -0.085 0.000 0.795 15 K CB 2.058 34.528 32.500 -0.051 0.000 1.159 15 K HN 0.442 nan 8.250 nan 0.000 0.424 16 V N 5.566 125.406 119.914 -0.123 0.000 2.588 16 V HA 0.530 4.650 4.120 0.001 0.000 0.304 16 V C -0.765 175.240 176.094 -0.147 0.000 1.042 16 V CA -0.840 61.368 62.300 -0.152 0.000 0.877 16 V CB 1.425 33.110 31.823 -0.229 0.000 0.996 16 V HN 0.681 nan 8.190 nan 0.000 0.425 17 L N 3.086 124.245 121.223 -0.106 0.000 2.354 17 L HA 0.647 4.987 4.340 0.001 0.000 0.269 17 L C -0.775 176.071 176.870 -0.041 0.000 1.005 17 L CA -0.594 54.209 54.840 -0.062 0.000 0.819 17 L CB 2.265 44.319 42.059 -0.009 0.000 1.311 17 L HN 0.556 nan 8.230 nan 0.000 0.423 18 D N 1.440 121.842 120.400 0.004 0.000 2.373 18 D HA 0.358 4.998 4.640 0.001 0.000 0.227 18 D C 0.392 176.806 176.300 0.190 0.000 1.091 18 D CA -0.311 53.759 54.000 0.118 0.000 0.840 18 D CB 2.192 43.074 40.800 0.137 0.000 1.060 18 D HN 0.613 nan 8.370 nan 0.000 0.502 19 A N 3.334 126.303 122.820 0.249 0.000 2.208 19 A HA 0.057 4.378 4.320 0.001 0.000 0.209 19 A C 1.842 179.545 177.584 0.198 0.000 1.161 19 A CA 0.285 52.437 52.037 0.191 0.000 0.782 19 A CB 0.177 19.280 19.000 0.173 0.000 0.816 19 A HN 0.482 nan 8.150 nan 0.000 0.477 20 V N -0.612 119.476 119.914 0.289 0.000 2.500 20 V HA -0.064 4.057 4.120 0.001 0.000 0.243 20 V C 2.306 178.510 176.094 0.183 0.000 1.039 20 V CA 1.726 64.167 62.300 0.234 0.000 1.053 20 V CB -0.492 31.521 31.823 0.316 0.000 0.695 20 V HN 0.521 nan 8.190 nan 0.000 0.463 21 R N -0.151 120.468 120.500 0.200 0.000 2.334 21 R HA 0.319 4.659 4.340 0.001 0.000 0.212 21 R C 1.330 177.691 176.300 0.101 0.000 0.897 21 R CA 0.601 56.784 56.100 0.139 0.000 1.056 21 R CB 0.518 30.903 30.300 0.142 0.000 1.046 21 R HN 0.502 nan 8.270 nan 0.000 0.513 22 G N 1.846 110.707 108.800 0.102 0.000 2.314 22 G HA2 -0.290 3.671 3.960 0.001 0.000 0.292 22 G HA3 -0.290 3.671 3.960 0.001 0.000 0.292 22 G C -0.212 174.722 174.900 0.058 0.000 1.059 22 G CA 0.600 45.744 45.100 0.072 0.000 0.982 22 G HN 0.432 nan 8.290 nan 0.000 0.505 23 S N -1.781 113.955 115.700 0.060 0.000 2.596 23 S HA 0.860 5.330 4.470 0.001 0.000 0.270 23 S C -3.107 171.505 174.600 0.021 0.000 1.155 23 S CA -1.415 56.810 58.200 0.042 0.000 0.827 23 S CB 2.838 66.069 63.200 0.052 0.000 1.130 23 S HN 0.101 nan 8.310 nan 0.000 0.467 24 P HA 0.374 nan 4.420 nan 0.000 0.269 24 P C -1.007 176.261 177.300 -0.052 0.000 1.215 24 P CA -0.167 62.911 63.100 -0.036 0.000 0.780 24 P CB 0.251 31.930 31.700 -0.034 0.000 0.898 25 A N 3.602 126.330 122.820 -0.153 0.000 2.294 25 A HA 0.438 4.759 4.320 0.001 0.000 0.316 25 A C 0.070 177.531 177.584 -0.205 0.000 1.359 25 A CA -0.542 51.312 52.037 -0.304 0.000 0.956 25 A CB -0.615 17.933 19.000 -0.754 0.000 1.155 25 A HN 0.439 nan 8.150 nan 0.000 0.544 26 I N 1.759 122.316 120.570 -0.021 0.000 2.440 26 I HA 0.195 4.366 4.170 0.001 0.000 0.294 26 I C 0.722 176.846 176.117 0.011 0.000 0.995 26 I CA -0.383 60.910 61.300 -0.012 0.000 1.306 26 I CB 1.089 39.102 38.000 0.020 0.000 1.407 26 I HN 0.898 nan 8.210 nan 0.000 0.501 27 N N 2.142 120.823 118.700 -0.032 0.000 2.776 27 N HA -0.147 4.593 4.740 0.001 0.000 0.250 27 N C -0.742 174.755 175.510 -0.021 0.000 1.112 27 N CA 0.272 53.309 53.050 -0.021 0.000 0.733 27 N CB -0.629 37.865 38.487 0.011 0.000 1.097 27 N HN 0.287 nan 8.380 nan 0.000 0.558 28 V N 0.647 120.511 119.914 -0.084 0.000 2.488 28 V HA 0.563 4.684 4.120 0.001 0.000 0.277 28 V C 0.990 177.023 176.094 -0.103 0.000 1.046 28 V CA -0.070 62.162 62.300 -0.113 0.000 0.986 28 V CB 1.171 32.837 31.823 -0.262 0.000 0.989 28 V HN 0.331 nan 8.190 nan 0.000 0.475 29 A N 5.579 128.360 122.820 -0.064 0.000 2.401 29 A HA 0.662 4.982 4.320 0.001 0.000 0.259 29 A C -0.416 177.103 177.584 -0.108 0.000 1.103 29 A CA -0.264 51.719 52.037 -0.091 0.000 0.789 29 A CB 0.582 19.574 19.000 -0.013 0.000 1.035 29 A HN 0.694 nan 8.150 nan 0.000 0.491 30 V N 4.132 123.914 119.914 -0.221 0.000 2.638 30 V HA 0.415 4.535 4.120 0.001 0.000 0.306 30 V C -0.598 175.276 176.094 -0.366 0.000 1.052 30 V CA -0.614 61.575 62.300 -0.185 0.000 0.885 30 V CB 1.735 33.465 31.823 -0.155 0.000 0.999 30 V HN 0.964 nan 8.190 nan 0.000 0.424 31 H N 2.652 121.645 119.070 -0.129 0.000 2.529 31 H HA 0.639 5.195 4.556 0.001 0.000 0.348 31 H C -1.170 173.963 175.328 -0.324 0.000 1.079 31 H CA -0.527 55.358 56.048 -0.271 0.000 1.198 31 H CB 2.551 32.133 29.762 -0.300 0.000 1.521 31 H HN 0.407 nan 8.280 nan 0.000 0.514 32 V N 4.390 124.128 119.914 -0.294 0.000 2.513 32 V HA 0.361 4.481 4.120 0.001 0.000 0.299 32 V C -0.522 175.392 176.094 -0.299 0.000 1.035 32 V CA -0.600 61.625 62.300 -0.126 0.000 0.889 32 V CB 1.035 32.934 31.823 0.128 0.000 0.988 32 V HN 0.480 nan 8.190 nan 0.000 0.440 33 F N 2.626 122.664 119.950 0.147 0.000 2.593 33 F HA 0.757 5.284 4.527 0.001 0.000 0.320 33 F C 0.119 176.031 175.800 0.187 0.000 1.060 33 F CA -0.829 57.287 58.000 0.193 0.000 0.940 33 F CB 1.966 41.023 39.000 0.096 0.000 1.268 33 F HN 0.356 nan 8.300 nan 0.000 0.475 34 R N 1.812 122.513 120.500 0.335 0.000 2.621 34 R HA 0.411 4.751 4.340 0.001 0.000 0.292 34 R C -1.147 175.127 176.300 -0.043 0.000 0.969 34 R CA -0.864 55.150 56.100 -0.143 0.000 0.887 34 R CB 1.710 31.698 30.300 -0.519 0.000 1.180 34 R HN 0.734 nan 8.270 nan 0.000 0.450 35 K N 2.556 122.754 120.400 -0.336 0.000 2.322 35 K HA 0.306 4.626 4.320 0.001 0.000 0.283 35 K C -0.706 175.672 176.600 -0.371 0.000 1.042 35 K CA -0.042 55.868 56.287 -0.628 0.000 0.958 35 K CB 1.151 33.123 32.500 -0.879 0.000 0.984 35 K HN 0.672 nan 8.250 nan 0.000 0.473 36 A N 2.976 125.616 122.820 -0.299 0.000 2.248 36 A HA 0.555 4.875 4.320 0.001 0.000 0.316 36 A C 1.031 178.512 177.584 -0.172 0.000 1.101 36 A CA 0.162 52.095 52.037 -0.175 0.000 0.875 36 A CB 0.735 19.677 19.000 -0.096 0.000 1.207 36 A HN 0.883 nan 8.150 nan 0.000 0.504 37 A N 0.333 123.084 122.820 -0.115 0.000 1.903 37 A HA -0.215 4.106 4.320 0.001 0.000 0.219 37 A C 1.337 178.857 177.584 -0.107 0.000 1.191 37 A CA 2.228 54.206 52.037 -0.099 0.000 0.638 37 A CB -0.866 18.095 19.000 -0.065 0.000 0.823 37 A HN 0.843 nan 8.150 nan 0.000 0.451 38 D N -1.231 119.108 120.400 -0.102 0.000 2.363 38 D HA -0.004 4.637 4.640 0.001 0.000 0.226 38 D C -0.508 175.710 176.300 -0.137 0.000 1.020 38 D CA 0.776 54.718 54.000 -0.098 0.000 0.892 38 D CB -0.415 40.341 40.800 -0.073 0.000 0.900 38 D HN 0.378 nan 8.370 nan 0.000 0.531 39 D N -0.060 120.222 120.400 -0.196 0.000 2.775 39 D HA -0.141 4.499 4.640 0.001 0.000 0.235 39 D C -0.587 175.516 176.300 -0.329 0.000 1.120 39 D CA 0.951 54.786 54.000 -0.275 0.000 0.708 39 D CB -1.680 38.999 40.800 -0.203 0.000 1.084 39 D HN 0.320 nan 8.370 nan 0.000 0.434 40 T N -1.275 113.085 114.554 -0.324 0.000 2.924 40 T HA 0.553 4.903 4.350 0.001 0.000 0.291 40 T C -0.887 173.608 174.700 -0.342 0.000 1.045 40 T CA -0.569 61.358 62.100 -0.288 0.000 1.015 40 T CB 0.821 69.621 68.868 -0.113 0.000 1.103 40 T HN 0.133 nan 8.240 nan 0.000 0.496 41 W N 2.718 123.975 121.300 -0.071 0.000 2.358 41 W HA 0.443 5.104 4.660 0.001 0.000 0.307 41 W C 0.708 177.269 176.519 0.069 0.000 1.203 41 W CA -0.530 56.786 57.345 -0.048 0.000 1.279 41 W CB 0.436 29.771 29.460 -0.207 0.000 1.264 41 W HN 0.587 nan 8.180 nan 0.000 0.474 42 E N 4.887 125.303 120.200 0.359 0.000 2.231 42 E HA 0.296 4.646 4.350 0.001 0.000 0.277 42 E C -2.120 174.747 176.600 0.445 0.000 0.999 42 E CA -2.465 54.127 56.400 0.320 0.000 0.827 42 E CB 1.281 31.091 29.700 0.183 0.000 1.101 42 E HN -0.016 nan 8.360 nan 0.000 0.393 43 P HA 0.000 nan 4.420 nan 0.000 0.267 43 P C -0.841 176.569 177.300 0.182 0.000 1.205 43 P CA 0.402 63.615 63.100 0.188 0.000 0.765 43 P CB 0.351 32.124 31.700 0.122 0.000 0.828 44 F N 2.935 122.842 119.950 -0.073 0.000 2.619 44 F HA 0.588 5.115 4.527 0.001 0.000 0.281 44 F C 0.059 175.836 175.800 -0.040 0.000 1.065 44 F CA 0.477 58.484 58.000 0.012 0.000 1.304 44 F CB 0.516 39.589 39.000 0.122 0.000 1.059 44 F HN 0.416 nan 8.300 nan 0.000 0.648 45 A N -0.257 122.515 122.820 -0.080 0.000 2.597 45 A HA 0.636 4.956 4.320 0.001 0.000 0.292 45 A C -1.091 176.385 177.584 -0.180 0.000 1.057 45 A CA 0.053 51.978 52.037 -0.188 0.000 0.674 45 A CB 0.518 19.397 19.000 -0.201 0.000 1.278 45 A HN 0.496 nan 8.150 nan 0.000 0.416 46 S N -0.539 115.037 115.700 -0.205 0.000 2.625 46 S HA 1.002 5.473 4.470 0.001 0.000 0.271 46 S C -0.170 174.277 174.600 -0.255 0.000 1.161 46 S CA -0.036 57.983 58.200 -0.301 0.000 0.820 46 S CB 1.299 64.266 63.200 -0.388 0.000 1.137 46 S HN 2.728 nan 8.310 nan 0.000 0.470 47 G N 0.179 108.800 108.800 -0.298 0.000 2.320 47 G HA2 0.514 4.475 3.960 0.001 0.000 0.296 47 G HA3 0.514 4.475 3.960 0.001 0.000 0.296 47 G C -2.360 172.419 174.900 -0.203 0.000 1.306 47 G CA -0.890 44.086 45.100 -0.207 0.000 0.836 47 G HN 0.715 nan 8.290 nan 0.000 0.517 48 K N 0.292 120.601 120.400 -0.153 0.000 2.371 48 K HA 0.631 4.952 4.320 0.001 0.000 0.251 48 K C 0.126 176.645 176.600 -0.134 0.000 0.934 48 K CA -0.625 55.582 56.287 -0.132 0.000 0.798 48 K CB 2.038 34.480 32.500 -0.096 0.000 1.204 48 K HN 0.813 nan 8.250 nan 0.000 0.427 49 T N -0.742 113.729 114.554 -0.139 0.000 2.918 49 T HA 0.101 4.452 4.350 0.001 0.000 0.302 49 T C 0.795 175.424 174.700 -0.118 0.000 1.045 49 T CA -0.720 61.290 62.100 -0.150 0.000 1.114 49 T CB 0.963 69.733 68.868 -0.164 0.000 0.965 49 T HN 0.567 nan 8.240 nan 0.000 0.540 50 S N 1.367 116.992 115.700 -0.126 0.000 2.640 50 S HA 0.195 4.665 4.470 0.001 0.000 0.262 50 S C 1.056 175.617 174.600 -0.064 0.000 1.232 50 S CA -0.736 57.412 58.200 -0.086 0.000 0.988 50 S CB 0.280 63.430 63.200 -0.084 0.000 1.034 50 S HN 0.797 nan 8.310 nan 0.000 0.569 51 E N 0.356 120.533 120.200 -0.039 0.000 2.338 51 E HA -0.081 4.269 4.350 0.001 0.000 0.197 51 E C 1.471 178.055 176.600 -0.026 0.000 1.007 51 E CA 1.067 57.452 56.400 -0.025 0.000 0.849 51 E CB -0.163 29.530 29.700 -0.013 0.000 0.774 51 E HN 0.769 nan 8.360 nan 0.000 0.506 52 S N -1.162 114.519 115.700 -0.033 0.000 2.634 52 S HA 0.212 4.683 4.470 0.001 0.000 0.221 52 S C 1.381 175.949 174.600 -0.054 0.000 0.952 52 S CA 0.225 58.408 58.200 -0.029 0.000 0.930 52 S CB 0.595 63.790 63.200 -0.009 0.000 0.780 52 S HN 0.287 nan 8.310 nan 0.000 0.498 53 G N 0.672 109.424 108.800 -0.080 0.000 2.148 53 G HA2 -0.238 3.723 3.960 0.001 0.000 0.254 53 G HA3 -0.238 3.723 3.960 0.001 0.000 0.254 53 G C -0.310 174.507 174.900 -0.139 0.000 0.981 53 G CA 0.252 45.284 45.100 -0.112 0.000 0.670 53 G HN 0.629 nan 8.290 nan 0.000 0.528 54 E N -1.009 119.091 120.200 -0.167 0.000 2.221 54 E HA 0.721 5.071 4.350 0.001 0.000 0.268 54 E C -0.885 175.493 176.600 -0.371 0.000 0.933 54 E CA -1.077 55.169 56.400 -0.257 0.000 0.809 54 E CB 2.303 31.840 29.700 -0.272 0.000 1.190 54 E HN 0.177 nan 8.360 nan 0.000 0.406 55 L N 2.632 123.618 121.223 -0.395 0.000 2.406 55 L HA 0.379 4.719 4.340 0.001 0.000 0.272 55 L C -1.518 175.137 176.870 -0.359 0.000 0.980 55 L CA -0.183 54.437 54.840 -0.367 0.000 0.831 55 L CB 0.920 42.850 42.059 -0.216 0.000 1.253 55 L HN 0.626 nan 8.230 nan 0.000 0.406 56 H N 2.260 121.291 119.070 -0.065 0.000 2.869 56 H HA 0.806 5.362 4.556 0.001 0.000 0.342 56 H C 0.784 176.069 175.328 -0.071 0.000 1.250 56 H CA -0.874 55.136 56.048 -0.063 0.000 1.217 56 H CB 1.075 30.808 29.762 -0.049 0.000 1.917 56 H HN 0.694 nan 8.280 nan 0.000 0.586 57 G N -0.313 108.543 108.800 0.093 0.000 2.153 57 G HA2 -0.287 3.674 3.960 0.001 0.000 0.252 57 G HA3 -0.287 3.674 3.960 0.001 0.000 0.252 57 G C 0.704 175.575 174.900 -0.047 0.000 0.994 57 G CA 0.622 45.728 45.100 0.010 0.000 0.698 57 G HN 0.520 nan 8.290 nan 0.000 0.521 58 L N -0.995 120.188 121.223 -0.066 0.000 2.141 58 L HA 0.211 4.552 4.340 0.001 0.000 0.209 58 L C 1.633 178.413 176.870 -0.152 0.000 1.094 58 L CA 1.819 56.592 54.840 -0.112 0.000 0.763 58 L CB -0.012 41.986 42.059 -0.101 0.000 0.908 58 L HN 0.483 nan 8.230 nan 0.000 0.437 59 T N -2.091 112.388 114.554 -0.125 0.000 2.711 59 T HA 0.379 4.729 4.350 0.001 0.000 0.302 59 T C -0.892 173.782 174.700 -0.044 0.000 1.373 59 T CA -0.246 61.782 62.100 -0.120 0.000 1.000 59 T CB 1.660 70.479 68.868 -0.081 0.000 1.483 59 T HN 0.129 nan 8.240 nan 0.000 0.499 60 T N -0.844 113.724 114.554 0.023 0.000 2.942 60 T HA 0.554 4.904 4.350 0.001 0.000 0.289 60 T C 0.981 175.777 174.700 0.160 0.000 1.044 60 T CA -0.600 61.539 62.100 0.066 0.000 1.023 60 T CB 1.725 70.621 68.868 0.047 0.000 1.123 60 T HN 0.668 nan 8.240 nan 0.000 0.512 61 E N 0.022 120.312 120.200 0.151 0.000 2.085 61 E HA -0.219 4.131 4.350 0.001 0.000 0.194 61 E C 1.834 178.547 176.600 0.189 0.000 0.994 61 E CA 1.568 58.086 56.400 0.197 0.000 0.801 61 E CB -0.015 29.763 29.700 0.130 0.000 0.743 61 E HN 0.848 nan 8.360 nan 0.000 0.453 62 E N 0.972 121.253 120.200 0.135 0.000 2.085 62 E HA -0.241 4.109 4.350 0.001 0.000 0.194 62 E C 1.768 178.463 176.600 0.159 0.000 0.994 62 E CA 1.768 58.239 56.400 0.118 0.000 0.801 62 E CB -0.049 29.699 29.700 0.080 0.000 0.743 62 E HN 0.227 nan 8.360 nan 0.000 0.453 63 E N -1.456 118.861 120.200 0.195 0.000 2.299 63 E HA -0.066 4.285 4.350 0.001 0.000 0.193 63 E C -0.127 176.751 176.600 0.462 0.000 0.998 63 E CA -0.076 56.478 56.400 0.258 0.000 0.851 63 E CB -0.069 29.737 29.700 0.176 0.000 0.795 63 E HN 0.212 nan 8.360 nan 0.000 0.492 64 F N 2.933 123.030 119.950 0.245 0.000 2.626 64 F HA 0.154 4.681 4.527 0.000 0.000 0.353 64 F C 0.014 175.909 175.800 0.159 0.000 1.230 64 F CA -1.354 56.784 58.000 0.230 0.000 1.298 64 F CB -0.605 38.478 39.000 0.138 0.000 1.670 64 F HN -0.224 nan 8.300 nan 0.000 0.633 65 V N 0.770 120.800 119.914 0.192 0.000 3.336 65 V HA 0.331 4.451 4.120 0.001 0.000 0.304 65 V C 0.644 176.715 176.094 -0.038 0.000 1.073 65 V CA -1.172 61.160 62.300 0.053 0.000 1.074 65 V CB 0.497 32.377 31.823 0.096 0.000 1.161 65 V HN 0.476 nan 8.190 nan 0.000 0.460 66 E N 0.262 120.436 120.200 -0.043 0.000 2.481 66 E HA 0.418 4.768 4.350 0.001 0.000 0.263 66 E C 0.253 176.834 176.600 -0.031 0.000 0.992 66 E CA 1.159 57.531 56.400 -0.046 0.000 0.938 66 E CB 0.189 29.870 29.700 -0.032 0.000 0.933 66 E HN 1.206 nan 8.360 nan 0.000 0.453 67 G N 2.522 111.301 108.800 -0.035 0.000 2.315 67 G HA2 0.203 4.163 3.960 0.001 0.000 0.294 67 G HA3 0.203 4.163 3.960 0.001 0.000 0.294 67 G C -1.398 173.373 174.900 -0.214 0.000 1.300 67 G CA -0.975 44.014 45.100 -0.185 0.000 0.843 67 G HN 0.468 nan 8.290 nan 0.000 0.527 68 I N 0.846 121.199 120.570 -0.362 0.000 2.339 68 I HA 0.465 4.635 4.170 0.001 0.000 0.290 68 I C -0.892 175.004 176.117 -0.368 0.000 0.994 68 I CA -0.613 60.539 61.300 -0.246 0.000 1.191 68 I CB 1.259 39.172 38.000 -0.145 0.000 1.343 68 I HN 0.385 nan 8.210 nan 0.000 0.458 69 Y N 4.875 124.971 120.300 -0.340 0.000 2.509 69 Y HA 0.511 5.061 4.550 0.000 0.000 0.341 69 Y C -0.018 175.742 175.900 -0.233 0.000 1.038 69 Y CA -0.822 57.083 58.100 -0.326 0.000 1.089 69 Y CB 1.917 39.964 38.460 -0.688 0.000 1.241 69 Y HN 0.389 nan 8.280 nan 0.000 0.468 70 K N 1.635 122.035 120.400 0.000 0.000 2.426 70 K HA 0.690 5.011 4.320 0.001 0.000 0.254 70 K C -2.080 174.558 176.600 0.063 0.000 0.936 70 K CA -0.581 55.620 56.287 -0.144 0.000 0.801 70 K CB 1.291 33.305 32.500 -0.810 0.000 1.139 70 K HN 0.509 nan 8.250 nan 0.000 0.424 71 V N 3.984 123.969 119.914 0.119 0.000 2.347 71 V HA 0.273 4.394 4.120 0.001 0.000 0.280 71 V C -0.384 175.734 176.094 0.041 0.000 1.021 71 V CA -0.632 61.733 62.300 0.108 0.000 0.847 71 V CB 1.154 33.059 31.823 0.137 0.000 0.990 71 V HN 0.817 nan 8.190 nan 0.000 0.444 72 E N 5.100 125.329 120.200 0.048 0.000 2.151 72 E HA 0.583 4.933 4.350 0.001 0.000 0.275 72 E C -1.222 175.368 176.600 -0.016 0.000 0.936 72 E CA -0.609 55.773 56.400 -0.029 0.000 0.777 72 E CB 1.332 30.999 29.700 -0.056 0.000 1.108 72 E HN 0.656 nan 8.360 nan 0.000 0.401 73 I N 3.610 124.147 120.570 -0.056 0.000 2.378 73 I HA 0.138 4.308 4.170 0.001 0.000 0.291 73 I C -0.278 175.831 176.117 -0.013 0.000 0.992 73 I CA -0.798 60.467 61.300 -0.059 0.000 1.154 73 I CB 1.493 39.417 38.000 -0.126 0.000 1.315 73 I HN 0.502 nan 8.210 nan 0.000 0.448 74 D N 4.779 125.193 120.400 0.023 0.000 2.508 74 D HA 0.021 4.661 4.640 0.001 0.000 0.224 74 D C 1.413 177.743 176.300 0.051 0.000 1.171 74 D CA -0.144 53.903 54.000 0.078 0.000 1.006 74 D CB 0.624 41.484 40.800 0.101 0.000 1.073 74 D HN 0.673 nan 8.370 nan 0.000 0.513 75 T N 0.192 114.779 114.554 0.055 0.000 2.951 75 T HA -0.143 4.208 4.350 0.001 0.000 0.268 75 T C 1.765 176.583 174.700 0.197 0.000 1.073 75 T CA 0.742 62.880 62.100 0.063 0.000 1.134 75 T CB -0.003 68.930 68.868 0.108 0.000 0.884 75 T HN 0.302 nan 8.240 nan 0.000 0.479 76 K N 1.236 121.758 120.400 0.203 0.000 2.026 76 K HA -0.085 4.235 4.320 0.001 0.000 0.208 76 K C 2.511 179.215 176.600 0.175 0.000 1.048 76 K CA 1.573 57.988 56.287 0.214 0.000 0.929 76 K CB -0.346 32.229 32.500 0.124 0.000 0.713 76 K HN 0.336 nan 8.250 nan 0.000 0.439 77 S N 0.047 115.819 115.700 0.121 0.000 2.382 77 S HA -0.168 4.302 4.470 0.001 0.000 0.228 77 S C 1.576 176.215 174.600 0.064 0.000 1.027 77 S CA 1.196 59.447 58.200 0.085 0.000 0.991 77 S CB -0.483 62.759 63.200 0.069 0.000 0.823 77 S HN 0.426 nan 8.310 nan 0.000 0.469 78 Y N 0.899 121.144 120.300 -0.092 0.000 2.097 78 Y HA -0.214 4.336 4.550 0.001 0.000 0.282 78 Y C 1.883 177.658 175.900 -0.209 0.000 1.152 78 Y CA 1.415 59.377 58.100 -0.230 0.000 1.136 78 Y CB -0.557 37.645 38.460 -0.431 0.000 0.975 78 Y HN 0.282 nan 8.280 nan 0.000 0.498 79 W N 0.714 122.038 121.300 0.040 0.000 2.388 79 W HA -0.097 4.564 4.660 0.001 0.000 0.294 79 W C 2.418 178.895 176.519 -0.071 0.000 1.212 79 W CA 0.996 58.313 57.345 -0.046 0.000 1.271 79 W CB -0.148 29.354 29.460 0.070 0.000 1.126 79 W HN -0.130 nan 8.180 nan 0.000 0.535 80 K N 0.173 120.685 120.400 0.187 0.000 2.097 80 K HA -0.139 4.181 4.320 0.001 0.000 0.206 80 K C 2.147 178.766 176.600 0.032 0.000 1.049 80 K CA 1.379 57.725 56.287 0.099 0.000 0.933 80 K CB -0.522 32.024 32.500 0.078 0.000 0.717 80 K HN 0.121 nan 8.250 nan 0.000 0.442 81 A N 1.055 123.859 122.820 -0.027 0.000 2.121 81 A HA -0.064 4.257 4.320 0.001 0.000 0.218 81 A C 1.804 179.337 177.584 -0.084 0.000 1.154 81 A CA 0.982 52.980 52.037 -0.065 0.000 0.679 81 A CB -0.317 18.623 19.000 -0.099 0.000 0.795 81 A HN 0.175 nan 8.150 nan 0.000 0.458 82 L N -1.601 119.569 121.223 -0.088 0.000 2.592 82 L HA 0.223 4.563 4.340 0.001 0.000 0.227 82 L C 1.575 178.464 176.870 0.033 0.000 1.127 82 L CA 0.542 55.354 54.840 -0.046 0.000 0.884 82 L CB -0.113 41.920 42.059 -0.042 0.000 1.065 82 L HN 0.556 nan 8.230 nan 0.000 0.457 83 G N 1.062 109.887 108.800 0.042 0.000 2.157 83 G HA2 -0.264 3.696 3.960 0.001 0.000 0.248 83 G HA3 -0.264 3.696 3.960 0.001 0.000 0.248 83 G C 0.008 174.949 174.900 0.068 0.000 0.979 83 G CA -0.227 44.901 45.100 0.047 0.000 0.650 83 G HN 0.267 nan 8.290 nan 0.000 0.529 84 I N 1.169 121.806 120.570 0.112 0.000 2.412 84 I HA 0.542 4.713 4.170 0.001 0.000 0.296 84 I C 0.454 176.630 176.117 0.098 0.000 0.987 84 I CA -0.696 60.664 61.300 0.101 0.000 1.180 84 I CB 2.093 40.163 38.000 0.117 0.000 1.340 84 I HN 0.080 nan 8.210 nan 0.000 0.455 85 S N 7.854 123.584 115.700 0.051 0.000 2.404 85 S HA 0.512 4.982 4.470 0.001 0.000 0.309 85 S C -2.150 172.429 174.600 -0.035 0.000 1.076 85 S CA -1.279 56.941 58.200 0.034 0.000 1.095 85 S CB 0.311 63.531 63.200 0.032 0.000 0.972 85 S HN 0.381 nan 8.310 nan 0.000 0.484 86 P HA 0.306 nan 4.420 nan 0.000 0.284 86 P C 0.416 177.526 177.300 -0.316 0.000 1.287 86 P CA -0.723 62.230 63.100 -0.246 0.000 0.824 86 P CB 0.656 32.326 31.700 -0.050 0.000 1.180 87 F N 0.333 119.853 119.950 -0.718 0.000 2.149 87 F HA 0.038 4.566 4.527 0.001 0.000 0.294 87 F C 0.947 176.494 175.800 -0.422 0.000 1.095 87 F CA 0.988 58.559 58.000 -0.716 0.000 1.276 87 F CB -0.667 37.721 39.000 -1.020 0.000 1.023 87 F HN 0.284 nan 8.300 nan 0.000 0.480 88 H N 0.358 119.389 119.070 -0.065 0.000 2.511 88 H HA 0.177 4.734 4.556 0.001 0.000 0.346 88 H C 1.206 176.462 175.328 -0.120 0.000 1.128 88 H CA -0.203 55.793 56.048 -0.088 0.000 1.342 88 H CB 0.753 30.628 29.762 0.189 0.000 1.470 88 H HN 0.048 nan 8.280 nan 0.000 0.546 89 E N 1.284 121.417 120.200 -0.113 0.000 2.107 89 E HA -0.056 4.295 4.350 0.001 0.000 0.191 89 E C -0.074 176.466 176.600 -0.099 0.000 0.982 89 E CA 1.142 57.426 56.400 -0.192 0.000 0.809 89 E CB 0.097 29.547 29.700 -0.417 0.000 0.756 89 E HN 0.774 nan 8.360 nan 0.000 0.459 90 H N -3.008 116.100 119.070 0.063 0.000 2.917 90 H HA 0.658 5.215 4.556 0.001 0.000 0.299 90 H C -1.340 173.917 175.328 -0.118 0.000 1.418 90 H CA -0.735 55.305 56.048 -0.013 0.000 1.138 90 H CB 0.728 30.477 29.762 -0.021 0.000 1.830 90 H HN -0.002 nan 8.280 nan 0.000 0.514 91 A N 0.393 123.169 122.820 -0.074 0.000 2.318 91 A HA 0.621 4.941 4.320 0.001 0.000 0.324 91 A C -0.775 176.740 177.584 -0.114 0.000 1.170 91 A CA -0.710 51.070 52.037 -0.429 0.000 0.810 91 A CB 0.723 19.154 19.000 -0.948 0.000 1.198 91 A HN 0.640 nan 8.150 nan 0.000 0.484 92 E N 0.747 120.947 120.200 0.001 0.000 2.238 92 E HA 0.578 4.928 4.350 0.001 0.000 0.267 92 E C -1.480 175.159 176.600 0.066 0.000 0.887 92 E CA -0.813 55.602 56.400 0.025 0.000 0.769 92 E CB 2.547 32.274 29.700 0.045 0.000 1.187 92 E HN 0.335 nan 8.360 nan 0.000 0.416 93 V N 2.931 122.889 119.914 0.074 0.000 2.447 93 V HA 0.283 4.404 4.120 0.001 0.000 0.292 93 V C -0.719 175.520 176.094 0.241 0.000 1.021 93 V CA -0.771 61.618 62.300 0.147 0.000 0.850 93 V CB 1.613 33.509 31.823 0.122 0.000 1.005 93 V HN 0.403 nan 8.190 nan 0.000 0.426 94 V N 6.545 126.607 119.914 0.247 0.000 2.448 94 V HA 0.754 4.874 4.120 0.001 0.000 0.295 94 V C -0.554 175.766 176.094 0.376 0.000 1.025 94 V CA -0.547 61.901 62.300 0.247 0.000 0.859 94 V CB 1.357 33.275 31.823 0.159 0.000 0.988 94 V HN 0.814 nan 8.190 nan 0.000 0.431 95 F N 0.845 120.866 119.950 0.118 0.000 2.668 95 F HA 0.721 5.248 4.527 0.001 0.000 0.309 95 F C -0.385 175.475 175.800 0.101 0.000 1.117 95 F CA -0.995 57.057 58.000 0.087 0.000 0.951 95 F CB 1.147 40.170 39.000 0.038 0.000 1.323 95 F HN 0.242 nan 8.300 nan 0.000 0.451 96 T N 2.197 116.842 114.554 0.152 0.000 2.832 96 T HA 0.688 5.039 4.350 0.001 0.000 0.296 96 T C -0.080 174.680 174.700 0.100 0.000 0.968 96 T CA 0.107 62.239 62.100 0.052 0.000 1.107 96 T CB 0.886 69.796 68.868 0.071 0.000 0.916 96 T HN 0.924 nan 8.240 nan 0.000 0.517 97 A N 3.289 126.093 122.820 -0.027 0.000 2.355 97 A HA 0.676 4.997 4.320 0.001 0.000 0.324 97 A C 0.520 178.072 177.584 -0.053 0.000 1.117 97 A CA -1.035 50.944 52.037 -0.095 0.000 0.785 97 A CB 0.192 18.859 19.000 -0.556 0.000 1.254 97 A HN 0.967 nan 8.150 nan 0.000 0.453 98 N N 0.456 119.208 118.700 0.086 0.000 2.725 98 N HA -0.211 4.530 4.740 0.001 0.000 0.249 98 N C 0.195 175.714 175.510 0.015 0.000 1.103 98 N CA 0.940 54.004 53.050 0.023 0.000 0.707 98 N CB -0.549 37.853 38.487 -0.141 0.000 1.043 98 N HN 0.818 nan 8.380 nan 0.000 0.553 99 D N -0.869 119.558 120.400 0.046 0.000 2.347 99 D HA -0.032 4.608 4.640 0.001 0.000 0.213 99 D C 0.232 176.548 176.300 0.026 0.000 0.985 99 D CA 0.669 54.684 54.000 0.026 0.000 0.879 99 D CB -0.036 40.782 40.800 0.030 0.000 0.919 99 D HN 0.338 nan 8.370 nan 0.000 0.526 100 S N -0.063 115.658 115.700 0.036 0.000 2.499 100 S HA 0.588 5.059 4.470 0.001 0.000 0.238 100 S C 0.614 175.226 174.600 0.019 0.000 1.205 100 S CA -0.384 57.831 58.200 0.025 0.000 1.203 100 S CB 0.649 63.866 63.200 0.028 0.000 0.954 100 S HN 0.626 nan 8.310 nan 0.000 0.484 101 G N 2.160 110.969 108.800 0.016 0.000 2.707 101 G HA2 -0.028 3.933 3.960 0.001 0.000 0.686 101 G HA3 -0.028 3.933 3.960 0.001 0.000 0.686 101 G C -3.478 171.431 174.900 0.015 0.000 1.315 101 G CA -1.334 43.773 45.100 0.012 0.000 0.832 101 G HN 0.259 nan 8.290 nan 0.000 0.573 102 P HA 0.403 nan 4.420 nan 0.000 0.268 102 P C -0.057 177.251 177.300 0.013 0.000 1.204 102 P CA 0.080 63.198 63.100 0.030 0.000 0.768 102 P CB 0.623 32.349 31.700 0.044 0.000 0.842 103 R N 2.372 122.883 120.500 0.017 0.000 2.855 103 R HA 0.510 4.851 4.340 0.001 0.000 0.266 103 R C -0.051 176.161 176.300 -0.146 0.000 1.034 103 R CA -0.987 55.022 56.100 -0.150 0.000 0.944 103 R CB 1.836 31.903 30.300 -0.389 0.000 1.219 103 R HN 0.456 nan 8.270 nan 0.000 0.474 104 R N 0.915 121.271 120.500 -0.240 0.000 2.393 104 R HA 0.439 4.779 4.340 0.001 0.000 0.310 104 R C -0.884 175.260 176.300 -0.260 0.000 0.968 104 R CA -0.452 55.586 56.100 -0.103 0.000 0.867 104 R CB 1.148 31.423 30.300 -0.041 0.000 1.124 104 R HN 0.452 nan 8.270 nan 0.000 0.450 105 Y N 0.386 120.740 120.300 0.089 0.000 2.350 105 Y HA 0.293 4.843 4.550 0.000 0.000 0.338 105 Y C 0.105 175.992 175.900 -0.022 0.000 0.961 105 Y CA -0.708 57.408 58.100 0.025 0.000 1.100 105 Y CB 2.517 41.008 38.460 0.052 0.000 1.179 105 Y HN 0.417 nan 8.280 nan 0.000 0.454 106 T N 5.334 119.935 114.554 0.078 0.000 2.772 106 T HA 0.464 4.815 4.350 0.001 0.000 0.288 106 T C -0.488 174.208 174.700 -0.007 0.000 0.994 106 T CA -0.516 61.602 62.100 0.029 0.000 0.951 106 T CB 0.317 69.192 68.868 0.011 0.000 0.933 106 T HN 0.252 nan 8.240 nan 0.000 0.447 107 I N 3.458 124.010 120.570 -0.031 0.000 2.312 107 I HA 0.569 4.739 4.170 0.001 0.000 0.290 107 I C 0.463 176.554 176.117 -0.044 0.000 1.008 107 I CA -1.016 60.245 61.300 -0.064 0.000 1.226 107 I CB 0.489 38.436 38.000 -0.088 0.000 1.371 107 I HN 0.645 nan 8.210 nan 0.000 0.468 108 A N 5.543 128.344 122.820 -0.032 0.000 2.340 108 A HA 0.945 5.266 4.320 0.001 0.000 0.331 108 A C -0.415 177.161 177.584 -0.013 0.000 1.140 108 A CA -0.519 51.503 52.037 -0.025 0.000 0.801 108 A CB 1.501 20.493 19.000 -0.013 0.000 1.234 108 A HN 0.808 nan 8.150 nan 0.000 0.469 109 A N 1.160 123.967 122.820 -0.022 0.000 2.398 109 A HA 0.653 4.973 4.320 0.001 0.000 0.301 109 A C -1.426 176.165 177.584 0.012 0.000 1.041 109 A CA -0.398 51.639 52.037 -0.001 0.000 0.711 109 A CB 1.186 20.152 19.000 -0.056 0.000 1.240 109 A HN 1.489 nan 8.150 nan 0.000 0.420 110 L N 3.257 124.524 121.223 0.073 0.000 2.298 110 L HA 0.668 5.009 4.340 0.001 0.000 0.284 110 L C -1.205 175.767 176.870 0.171 0.000 1.013 110 L CA -0.268 54.628 54.840 0.093 0.000 0.824 110 L CB 0.853 42.967 42.059 0.092 0.000 1.221 110 L HN 0.626 nan 8.230 nan 0.000 0.418 111 L N 4.330 125.671 121.223 0.197 0.000 2.317 111 L HA 0.696 5.037 4.340 0.001 0.000 0.281 111 L C -0.079 177.128 176.870 0.560 0.000 1.024 111 L CA -0.364 54.703 54.840 0.379 0.000 0.810 111 L CB 1.771 44.019 42.059 0.315 0.000 1.240 111 L HN 0.632 nan 8.230 nan 0.000 0.427 112 S N 1.822 117.820 115.700 0.497 0.000 2.632 112 S HA 0.450 4.920 4.470 0.001 0.000 0.289 112 S C -2.096 172.467 174.600 -0.062 0.000 1.115 112 S CA -1.002 57.348 58.200 0.249 0.000 0.889 112 S CB 2.333 65.617 63.200 0.139 0.000 1.116 112 S HN 0.355 nan 8.310 nan 0.000 0.486 113 P HA -0.055 nan 4.420 nan 0.000 0.216 113 P C 0.098 177.251 177.300 -0.245 0.000 1.150 113 P CA 1.375 64.034 63.100 -0.736 0.000 0.837 113 P CB 0.044 31.427 31.700 -0.528 0.000 0.786 114 Y N -1.863 118.384 120.300 -0.089 0.000 2.584 114 Y HA 0.439 4.989 4.550 0.001 0.000 0.254 114 Y C 0.675 176.624 175.900 0.083 0.000 1.177 114 Y CA -0.084 57.995 58.100 -0.035 0.000 1.216 114 Y CB 0.536 38.902 38.460 -0.157 0.000 1.172 114 Y HN -0.165 nan 8.280 nan 0.000 0.529 115 S N 0.125 116.012 115.700 0.312 0.000 2.537 115 S HA 0.631 5.102 4.470 0.001 0.000 0.271 115 S C -1.712 173.057 174.600 0.280 0.000 1.148 115 S CA -0.523 57.824 58.200 0.244 0.000 0.868 115 S CB 0.700 63.968 63.200 0.113 0.000 1.115 115 S HN 0.194 nan 8.310 nan 0.000 0.461 116 Y N -0.042 120.315 120.300 0.095 0.000 2.597 116 Y HA 0.864 5.415 4.550 0.001 0.000 0.340 116 Y C -0.822 175.094 175.900 0.027 0.000 1.097 116 Y CA -0.969 57.165 58.100 0.055 0.000 1.037 116 Y CB 1.149 39.614 38.460 0.008 0.000 1.305 116 Y HN 0.462 nan 8.280 nan 0.000 0.463 117 S N 1.040 116.870 115.700 0.216 0.000 2.513 117 S HA 0.718 5.188 4.470 0.001 0.000 0.299 117 S C -1.022 173.690 174.600 0.186 0.000 1.087 117 S CA -0.760 57.515 58.200 0.124 0.000 1.012 117 S CB 1.865 65.109 63.200 0.074 0.000 1.044 117 S HN 0.832 nan 8.310 nan 0.000 0.485 118 T N 1.220 115.859 114.554 0.142 0.000 2.893 118 T HA 0.720 5.071 4.350 0.001 0.000 0.293 118 T C -1.019 173.712 174.700 0.053 0.000 1.027 118 T CA -0.250 61.913 62.100 0.105 0.000 0.988 118 T CB 1.793 70.742 68.868 0.135 0.000 1.043 118 T HN 0.546 nan 8.240 nan 0.000 0.461 119 T N 1.698 116.266 114.554 0.024 0.000 2.883 119 T HA 0.794 5.144 4.350 0.001 0.000 0.301 119 T C -1.603 173.086 174.700 -0.018 0.000 1.158 119 T CA -0.337 61.767 62.100 0.007 0.000 1.007 119 T CB 1.383 70.257 68.868 0.010 0.000 1.186 119 T HN 0.946 nan 8.240 nan 0.000 0.499 120 A N 2.197 125.003 122.820 -0.024 0.000 2.371 120 A HA 0.787 5.107 4.320 0.001 0.000 0.311 120 A C -1.174 176.401 177.584 -0.016 0.000 1.068 120 A CA -0.524 51.489 52.037 -0.040 0.000 0.744 120 A CB 1.478 20.431 19.000 -0.079 0.000 1.239 120 A HN 0.674 nan 8.150 nan 0.000 0.435 121 V N 2.651 122.556 119.914 -0.015 0.000 2.417 121 V HA 0.486 4.607 4.120 0.001 0.000 0.291 121 V C -0.451 175.614 176.094 -0.047 0.000 1.024 121 V CA -0.486 61.800 62.300 -0.022 0.000 0.861 121 V CB 1.491 33.302 31.823 -0.020 0.000 0.985 121 V HN 0.646 nan 8.190 nan 0.000 0.436 122 V N 4.656 124.524 119.914 -0.078 0.000 2.409 122 V HA 0.698 4.818 4.120 0.001 0.000 0.291 122 V C 0.324 176.319 176.094 -0.166 0.000 1.020 122 V CA -0.228 61.956 62.300 -0.193 0.000 0.848 122 V CB 1.739 33.459 31.823 -0.171 0.000 0.990 122 V HN 1.050 nan 8.190 nan 0.000 0.430 123 T N 0.000 114.437 114.554 -0.195 0.000 3.816 123 T HA 0.000 4.350 4.350 0.001 0.000 0.228 123 T CA 0.000 62.026 62.100 -0.124 0.000 1.349 123 T CB 0.000 68.820 68.868 -0.080 0.000 0.612 123 T HN 0.000 nan 8.240 nan 0.000 0.658