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 1dvz_1_B DATA FIRST_RESID 10 DATA SEQUENCE CPLMVKVLDA VRGSPAINVA VHVFRKAADD TWEPFASGKT SESGELHGLT DATA SEQUENCE TEEQFVEGIY 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 0.000 174.999 174.990 0.016 0.000 1.270 10 C CA 0.000 59.032 59.018 0.022 0.000 1.963 10 C CB 0.000 27.775 27.740 0.058 0.000 2.134 11 P HA 0.001 nan 4.420 nan 0.000 0.218 11 P C -0.038 177.238 177.300 -0.040 0.000 1.149 11 P CA 0.873 64.007 63.100 0.056 0.000 0.817 11 P CB 0.259 32.027 31.700 0.112 0.000 0.785 12 L N -1.007 120.066 121.223 -0.249 0.000 2.381 12 L HA 0.590 4.930 4.340 0.001 0.000 0.274 12 L C -0.976 175.785 176.870 -0.182 0.000 0.988 12 L CA -0.574 54.101 54.840 -0.276 0.000 0.824 12 L CB 1.542 43.239 42.059 -0.603 0.000 1.263 12 L HN -0.212 nan 8.230 nan 0.000 0.410 13 M N 5.147 124.658 119.600 -0.147 0.000 2.457 13 M HA 0.616 5.097 4.480 0.001 0.000 0.300 13 M C -1.926 174.255 176.300 -0.199 0.000 1.141 13 M CA -0.593 54.577 55.300 -0.216 0.000 0.901 13 M CB 2.272 34.733 32.600 -0.231 0.000 1.687 13 M HN 0.377 nan 8.290 nan 0.000 0.449 14 V N 3.898 123.671 119.914 -0.235 0.000 2.604 14 V HA 0.593 4.713 4.120 0.001 0.000 0.305 14 V C -0.682 175.299 176.094 -0.189 0.000 1.043 14 V CA -0.814 61.379 62.300 -0.177 0.000 0.888 14 V CB 2.223 33.959 31.823 -0.144 0.000 0.995 14 V HN 0.839 nan 8.190 nan 0.000 0.429 15 K N 3.156 123.470 120.400 -0.143 0.000 2.443 15 K HA 0.804 5.125 4.320 0.001 0.000 0.252 15 K C -1.991 174.542 176.600 -0.112 0.000 0.933 15 K CA -0.462 55.752 56.287 -0.123 0.000 0.792 15 K CB 2.263 34.704 32.500 -0.097 0.000 1.185 15 K HN 0.478 nan 8.250 nan 0.000 0.425 16 V N 5.119 124.956 119.914 -0.127 0.000 2.588 16 V HA 0.495 4.615 4.120 0.001 0.000 0.304 16 V C -0.846 175.160 176.094 -0.147 0.000 1.042 16 V CA -1.025 61.182 62.300 -0.154 0.000 0.877 16 V CB 1.525 33.207 31.823 -0.234 0.000 0.996 16 V HN 0.618 nan 8.190 nan 0.000 0.425 17 L N 2.929 124.088 121.223 -0.107 0.000 2.333 17 L HA 0.651 4.991 4.340 0.001 0.000 0.269 17 L C -0.379 176.466 176.870 -0.042 0.000 1.010 17 L CA -0.295 54.507 54.840 -0.063 0.000 0.818 17 L CB 1.943 43.996 42.059 -0.010 0.000 1.306 17 L HN 0.662 nan 8.230 nan 0.000 0.430 18 D N 1.057 121.463 120.400 0.010 0.000 2.373 18 D HA 0.422 5.063 4.640 0.001 0.000 0.227 18 D C 0.429 176.843 176.300 0.191 0.000 1.091 18 D CA -0.284 53.790 54.000 0.125 0.000 0.840 18 D CB 2.082 42.973 40.800 0.151 0.000 1.060 18 D HN 0.632 nan 8.370 nan 0.000 0.502 19 A N 3.320 126.295 122.820 0.259 0.000 2.208 19 A HA 0.048 4.369 4.320 0.001 0.000 0.209 19 A C 1.818 179.524 177.584 0.204 0.000 1.161 19 A CA 0.372 52.529 52.037 0.200 0.000 0.782 19 A CB 0.214 19.324 19.000 0.183 0.000 0.816 19 A HN 0.480 nan 8.150 nan 0.000 0.477 20 V N -0.486 119.608 119.914 0.300 0.000 2.500 20 V HA -0.050 4.070 4.120 0.001 0.000 0.243 20 V C 2.256 178.464 176.094 0.190 0.000 1.039 20 V CA 1.509 63.956 62.300 0.245 0.000 1.053 20 V CB -0.496 31.532 31.823 0.341 0.000 0.695 20 V HN 0.511 nan 8.190 nan 0.000 0.463 21 R N 0.091 120.714 120.500 0.205 0.000 2.334 21 R HA 0.294 4.634 4.340 0.001 0.000 0.212 21 R C 1.345 177.708 176.300 0.104 0.000 0.897 21 R CA 0.618 56.802 56.100 0.140 0.000 1.056 21 R CB 0.440 30.823 30.300 0.139 0.000 1.046 21 R HN 0.513 nan 8.270 nan 0.000 0.513 22 G N 2.279 111.144 108.800 0.108 0.000 2.314 22 G HA2 -0.288 3.673 3.960 0.001 0.000 0.292 22 G HA3 -0.288 3.673 3.960 0.001 0.000 0.292 22 G C -0.130 174.807 174.900 0.062 0.000 1.059 22 G CA 0.615 45.761 45.100 0.077 0.000 0.982 22 G HN 0.456 nan 8.290 nan 0.000 0.505 23 S N -1.891 113.850 115.700 0.067 0.000 2.625 23 S HA 0.869 5.340 4.470 0.001 0.000 0.271 23 S C -3.255 171.363 174.600 0.030 0.000 1.161 23 S CA -1.547 56.681 58.200 0.048 0.000 0.820 23 S CB 2.843 66.076 63.200 0.055 0.000 1.137 23 S HN 0.071 nan 8.310 nan 0.000 0.470 24 P HA 0.388 nan 4.420 nan 0.000 0.272 24 P C -1.067 176.206 177.300 -0.045 0.000 1.223 24 P CA -0.183 62.903 63.100 -0.024 0.000 0.784 24 P CB 0.350 32.040 31.700 -0.017 0.000 0.923 25 A N 3.982 126.710 122.820 -0.154 0.000 2.391 25 A HA 0.369 4.689 4.320 0.001 0.000 0.316 25 A C 0.143 177.609 177.584 -0.197 0.000 1.381 25 A CA -0.413 51.424 52.037 -0.334 0.000 0.998 25 A CB -0.912 17.624 19.000 -0.773 0.000 1.147 25 A HN 0.444 nan 8.150 nan 0.000 0.545 26 I N 2.023 122.590 120.570 -0.004 0.000 2.532 26 I HA 0.163 4.333 4.170 0.001 0.000 0.292 26 I C 0.327 176.471 176.117 0.045 0.000 1.014 26 I CA -0.526 60.782 61.300 0.014 0.000 1.340 26 I CB 0.652 38.673 38.000 0.036 0.000 1.422 26 I HN 0.725 nan 8.210 nan 0.000 0.528 27 N N 2.204 120.905 118.700 0.002 0.000 2.747 27 N HA -0.135 4.605 4.740 0.001 0.000 0.249 27 N C -0.787 174.729 175.510 0.010 0.000 1.107 27 N CA 0.338 53.393 53.050 0.008 0.000 0.707 27 N CB -1.068 37.435 38.487 0.027 0.000 1.054 27 N HN 0.270 nan 8.380 nan 0.000 0.555 28 V N 0.678 120.563 119.914 -0.048 0.000 2.461 28 V HA 0.526 4.646 4.120 0.001 0.000 0.275 28 V C 1.058 177.114 176.094 -0.063 0.000 1.047 28 V CA -0.678 61.578 62.300 -0.074 0.000 0.955 28 V CB 1.483 33.172 31.823 -0.223 0.000 0.988 28 V HN 0.367 nan 8.190 nan 0.000 0.471 29 A N 5.452 128.260 122.820 -0.020 0.000 2.440 29 A HA 0.611 4.932 4.320 0.001 0.000 0.251 29 A C -0.360 177.210 177.584 -0.023 0.000 1.089 29 A CA -0.156 51.870 52.037 -0.018 0.000 0.779 29 A CB 0.417 19.463 19.000 0.077 0.000 1.022 29 A HN 0.716 nan 8.150 nan 0.000 0.492 30 V N 3.832 123.675 119.914 -0.117 0.000 2.577 30 V HA 0.375 4.495 4.120 0.001 0.000 0.303 30 V C -1.021 174.923 176.094 -0.250 0.000 1.042 30 V CA -0.514 61.726 62.300 -0.101 0.000 0.872 30 V CB 1.688 33.440 31.823 -0.118 0.000 0.998 30 V HN 1.000 nan 8.190 nan 0.000 0.423 31 H N 2.063 121.066 119.070 -0.111 0.000 2.529 31 H HA 0.737 5.294 4.556 0.001 0.000 0.348 31 H C -0.632 174.515 175.328 -0.302 0.000 1.079 31 H CA -0.496 55.401 56.048 -0.251 0.000 1.198 31 H CB 2.080 31.697 29.762 -0.241 0.000 1.521 31 H HN 0.444 nan 8.280 nan 0.000 0.514 32 V N 4.541 124.274 119.914 -0.303 0.000 2.513 32 V HA 0.425 4.545 4.120 0.001 0.000 0.299 32 V C -0.727 175.206 176.094 -0.268 0.000 1.035 32 V CA -0.664 61.578 62.300 -0.098 0.000 0.889 32 V CB 0.739 32.654 31.823 0.153 0.000 0.988 32 V HN 0.538 nan 8.190 nan 0.000 0.440 33 F N 2.641 122.684 119.950 0.156 0.000 2.577 33 F HA 0.734 5.262 4.527 0.001 0.000 0.318 33 F C 0.114 176.024 175.800 0.182 0.000 1.065 33 F CA -0.846 57.273 58.000 0.197 0.000 0.929 33 F CB 1.967 41.027 39.000 0.100 0.000 1.237 33 F HN 0.315 nan 8.300 nan 0.000 0.468 34 R N 1.665 122.367 120.500 0.336 0.000 2.599 34 R HA 0.392 4.733 4.340 0.001 0.000 0.295 34 R C -0.969 175.346 176.300 0.025 0.000 0.963 34 R CA -0.900 55.115 56.100 -0.142 0.000 0.883 34 R CB 1.555 31.574 30.300 -0.468 0.000 1.171 34 R HN 0.712 nan 8.270 nan 0.000 0.450 35 K N 2.663 122.917 120.400 -0.243 0.000 2.383 35 K HA 0.210 4.531 4.320 0.001 0.000 0.286 35 K C -0.496 175.893 176.600 -0.352 0.000 1.051 35 K CA -0.024 55.916 56.287 -0.578 0.000 0.974 35 K CB 0.943 32.955 32.500 -0.813 0.000 0.968 35 K HN 0.664 nan 8.250 nan 0.000 0.475 36 A N 3.301 125.954 122.820 -0.280 0.000 2.259 36 A HA 0.423 4.743 4.320 0.001 0.000 0.278 36 A C 1.132 178.605 177.584 -0.185 0.000 1.107 36 A CA 0.339 52.272 52.037 -0.173 0.000 0.828 36 A CB 0.513 19.451 19.000 -0.103 0.000 1.111 36 A HN 0.917 nan 8.150 nan 0.000 0.498 37 A N 0.053 122.797 122.820 -0.127 0.000 2.024 37 A HA -0.119 4.201 4.320 0.001 0.000 0.220 37 A C 1.200 178.714 177.584 -0.117 0.000 1.164 37 A CA 1.885 53.855 52.037 -0.113 0.000 0.643 37 A CB -0.522 18.432 19.000 -0.077 0.000 0.806 37 A HN 0.839 nan 8.150 nan 0.000 0.451 38 D N -1.417 118.912 120.400 -0.118 0.000 2.460 38 D HA 0.050 4.691 4.640 0.001 0.000 0.229 38 D C -0.653 175.555 176.300 -0.154 0.000 1.170 38 D CA 0.305 54.238 54.000 -0.112 0.000 0.827 38 D CB -0.486 40.265 40.800 -0.082 0.000 0.973 38 D HN 0.328 nan 8.370 nan 0.000 0.496 39 D N -0.093 120.177 120.400 -0.216 0.000 2.911 39 D HA -0.131 4.509 4.640 0.001 0.000 0.227 39 D C -0.549 175.519 176.300 -0.386 0.000 1.164 39 D CA 0.955 54.770 54.000 -0.308 0.000 0.782 39 D CB -1.591 39.074 40.800 -0.225 0.000 1.094 39 D HN 0.312 nan 8.370 nan 0.000 0.425 40 T N -0.325 114.030 114.554 -0.331 0.000 2.895 40 T HA 0.401 4.751 4.350 0.001 0.000 0.283 40 T C 0.121 174.642 174.700 -0.299 0.000 1.014 40 T CA -0.446 61.492 62.100 -0.271 0.000 1.037 40 T CB 0.994 69.797 68.868 -0.108 0.000 1.006 40 T HN 0.046 nan 8.240 nan 0.000 0.468 41 W N 3.426 124.684 121.300 -0.071 0.000 2.416 41 W HA 0.330 4.989 4.660 -0.001 0.000 0.318 41 W C 0.722 177.291 176.519 0.083 0.000 1.150 41 W CA -0.788 56.527 57.345 -0.050 0.000 1.392 41 W CB 0.259 29.574 29.460 -0.241 0.000 1.311 41 W HN 0.636 nan 8.180 nan 0.000 0.436 42 E N 4.133 124.561 120.200 0.380 0.000 2.191 42 E HA 0.461 4.811 4.350 0.001 0.000 0.278 42 E C -2.518 174.356 176.600 0.456 0.000 0.972 42 E CA -2.599 54.004 56.400 0.339 0.000 0.804 42 E CB 1.267 31.079 29.700 0.186 0.000 1.110 42 E HN 0.049 nan 8.360 nan 0.000 0.394 43 P HA -0.090 nan 4.420 nan 0.000 0.264 43 P C -1.177 176.228 177.300 0.175 0.000 1.183 43 P CA 0.283 63.482 63.100 0.165 0.000 0.763 43 P CB 0.205 31.973 31.700 0.113 0.000 0.807 44 F N 3.292 123.194 119.950 -0.081 0.000 2.531 44 F HA 0.591 5.118 4.527 0.000 0.000 0.273 44 F C 0.129 175.905 175.800 -0.040 0.000 0.960 44 F CA 0.636 58.643 58.000 0.011 0.000 1.207 44 F CB 0.318 39.395 39.000 0.128 0.000 1.012 44 F HN 0.381 nan 8.300 nan 0.000 0.738 45 A N -0.341 122.412 122.820 -0.111 0.000 2.586 45 A HA 0.684 5.004 4.320 0.001 0.000 0.291 45 A C -1.125 176.327 177.584 -0.221 0.000 1.062 45 A CA 0.086 51.992 52.037 -0.218 0.000 0.666 45 A CB 0.638 19.503 19.000 -0.224 0.000 1.281 45 A HN 0.620 nan 8.150 nan 0.000 0.421 46 S N -0.983 114.567 115.700 -0.250 0.000 2.611 46 S HA 0.962 5.432 4.470 0.001 0.000 0.268 46 S C -0.231 174.202 174.600 -0.279 0.000 1.156 46 S CA 0.157 58.141 58.200 -0.360 0.000 0.817 46 S CB 0.983 63.839 63.200 -0.574 0.000 1.122 46 S HN 2.761 nan 8.310 nan 0.000 0.466 47 G N 0.370 108.993 108.800 -0.296 0.000 2.341 47 G HA2 0.550 4.510 3.960 0.001 0.000 0.299 47 G HA3 0.550 4.510 3.960 0.001 0.000 0.299 47 G C -2.386 172.413 174.900 -0.167 0.000 1.274 47 G CA -0.895 44.090 45.100 -0.191 0.000 0.853 47 G HN 0.737 nan 8.290 nan 0.000 0.493 48 K N 0.458 120.792 120.400 -0.110 0.000 2.422 48 K HA 0.596 4.916 4.320 0.001 0.000 0.251 48 K C -0.012 176.545 176.600 -0.072 0.000 0.933 48 K CA -0.643 55.593 56.287 -0.085 0.000 0.798 48 K CB 2.139 34.605 32.500 -0.057 0.000 1.238 48 K HN 0.837 nan 8.250 nan 0.000 0.428 49 T N -0.624 113.882 114.554 -0.079 0.000 2.932 49 T HA 0.059 4.409 4.350 0.001 0.000 0.312 49 T C 0.808 175.484 174.700 -0.041 0.000 1.071 49 T CA -0.604 61.452 62.100 -0.073 0.000 1.128 49 T CB 0.746 69.551 68.868 -0.105 0.000 0.984 49 T HN 0.574 nan 8.240 nan 0.000 0.549 50 S N 1.792 117.481 115.700 -0.019 0.000 2.632 50 S HA 0.237 4.708 4.470 0.001 0.000 0.267 50 S C 1.177 175.774 174.600 -0.005 0.000 1.193 50 S CA -0.871 57.327 58.200 -0.003 0.000 1.003 50 S CB 0.372 63.585 63.200 0.021 0.000 1.073 50 S HN 0.730 nan 8.310 nan 0.000 0.553 51 E N 0.902 121.102 120.200 0.000 0.000 2.265 51 E HA -0.085 4.265 4.350 0.001 0.000 0.196 51 E C 1.948 178.549 176.600 0.002 0.000 0.996 51 E CA 1.392 57.793 56.400 0.001 0.000 0.832 51 E CB -0.524 29.177 29.700 0.001 0.000 0.756 51 E HN 0.759 nan 8.360 nan 0.000 0.491 52 S N -1.057 114.647 115.700 0.006 0.000 2.575 52 S HA 0.268 4.738 4.470 0.001 0.000 0.215 52 S C 1.495 176.092 174.600 -0.005 0.000 0.966 52 S CA 0.433 58.638 58.200 0.009 0.000 0.911 52 S CB 0.360 63.576 63.200 0.027 0.000 0.780 52 S HN 0.260 nan 8.310 nan 0.000 0.514 53 G N 0.794 109.580 108.800 -0.023 0.000 2.155 53 G HA2 -0.241 3.720 3.960 0.001 0.000 0.257 53 G HA3 -0.241 3.720 3.960 0.001 0.000 0.257 53 G C -0.292 174.565 174.900 -0.071 0.000 0.983 53 G CA 0.333 45.396 45.100 -0.061 0.000 0.676 53 G HN 0.638 nan 8.290 nan 0.000 0.528 54 E N -1.071 119.108 120.200 -0.035 0.000 2.235 54 E HA 0.727 5.077 4.350 0.001 0.000 0.265 54 E C -0.859 175.690 176.600 -0.085 0.000 0.940 54 E CA -1.128 55.225 56.400 -0.078 0.000 0.819 54 E CB 2.267 31.981 29.700 0.023 0.000 1.206 54 E HN 0.229 nan 8.360 nan 0.000 0.409 55 L N 2.247 123.330 121.223 -0.234 0.000 2.406 55 L HA 0.361 4.701 4.340 0.001 0.000 0.270 55 L C -1.594 175.103 176.870 -0.288 0.000 0.982 55 L CA -0.195 54.547 54.840 -0.163 0.000 0.843 55 L CB 0.716 42.687 42.059 -0.146 0.000 1.225 55 L HN 0.553 nan 8.230 nan 0.000 0.412 56 H N 2.588 121.616 119.070 -0.070 0.000 2.693 56 H HA 0.760 5.317 4.556 0.001 0.000 0.348 56 H C 0.835 176.117 175.328 -0.076 0.000 1.222 56 H CA -0.317 55.690 56.048 -0.069 0.000 1.270 56 H CB 1.446 31.175 29.762 -0.055 0.000 1.798 56 H HN 0.737 nan 8.280 nan 0.000 0.592 57 G N 0.174 109.014 108.800 0.066 0.000 2.249 57 G HA2 -0.281 3.679 3.960 0.001 0.000 0.273 57 G HA3 -0.281 3.679 3.960 0.001 0.000 0.273 57 G C 0.693 175.557 174.900 -0.059 0.000 1.036 57 G CA 0.710 45.807 45.100 -0.006 0.000 0.824 57 G HN 0.505 nan 8.290 nan 0.000 0.504 58 L N -1.369 119.802 121.223 -0.087 0.000 2.109 58 L HA 0.210 4.551 4.340 0.001 0.000 0.207 58 L C 1.726 178.506 176.870 -0.149 0.000 1.086 58 L CA 1.817 56.584 54.840 -0.121 0.000 0.760 58 L CB 0.050 42.038 42.059 -0.118 0.000 0.910 58 L HN 0.492 nan 8.230 nan 0.000 0.437 59 T N -2.192 112.287 114.554 -0.125 0.000 2.671 59 T HA 0.410 4.760 4.350 0.001 0.000 0.300 59 T C -0.939 173.739 174.700 -0.037 0.000 1.238 59 T CA -0.184 61.856 62.100 -0.100 0.000 1.020 59 T CB 1.673 70.551 68.868 0.017 0.000 1.503 59 T HN 0.145 nan 8.240 nan 0.000 0.497 60 T N -0.902 113.673 114.554 0.036 0.000 2.930 60 T HA 0.554 4.904 4.350 0.001 0.000 0.290 60 T C 0.841 175.630 174.700 0.150 0.000 1.052 60 T CA -0.664 61.474 62.100 0.064 0.000 1.017 60 T CB 1.677 70.574 68.868 0.047 0.000 1.137 60 T HN 0.639 nan 8.240 nan 0.000 0.511 61 E N 0.090 120.372 120.200 0.138 0.000 2.118 61 E HA -0.189 4.162 4.350 0.001 0.000 0.195 61 E C 1.712 178.420 176.600 0.180 0.000 0.992 61 E CA 1.284 57.794 56.400 0.182 0.000 0.804 61 E CB -0.009 29.769 29.700 0.130 0.000 0.741 61 E HN 0.791 nan 8.360 nan 0.000 0.458 62 E N 1.125 121.407 120.200 0.136 0.000 2.072 62 E HA -0.212 4.138 4.350 0.001 0.000 0.191 62 E C 1.987 178.682 176.600 0.159 0.000 0.985 62 E CA 1.290 57.762 56.400 0.120 0.000 0.801 62 E CB 0.015 29.765 29.700 0.083 0.000 0.750 62 E HN 0.214 nan 8.360 nan 0.000 0.452 63 Q N -1.130 118.790 119.800 0.200 0.000 2.187 63 Q HA -0.068 4.273 4.340 0.001 0.000 0.199 63 Q C 0.037 176.331 176.000 0.490 0.000 0.957 63 Q CA 0.286 56.257 55.803 0.280 0.000 0.857 63 Q CB -0.066 28.790 28.738 0.196 0.000 0.929 63 Q HN 0.256 nan 8.270 nan 0.000 0.453 64 F N 3.498 123.607 119.950 0.265 0.000 2.679 64 F HA 0.171 4.698 4.527 0.000 0.000 0.351 64 F C -0.130 175.738 175.800 0.113 0.000 1.279 64 F CA -1.158 56.959 58.000 0.194 0.000 1.227 64 F CB -0.391 38.654 39.000 0.075 0.000 1.623 64 F HN -0.097 nan 8.300 nan 0.000 0.666 65 V N 1.022 120.973 119.914 0.062 0.000 3.295 65 V HA 0.395 4.515 4.120 0.001 0.000 0.308 65 V C 0.427 176.423 176.094 -0.164 0.000 1.068 65 V CA -1.213 61.060 62.300 -0.044 0.000 1.062 65 V CB 0.653 32.494 31.823 0.031 0.000 1.162 65 V HN 0.439 nan 8.190 nan 0.000 0.456 66 E N 0.787 120.914 120.200 -0.122 0.000 2.437 66 E HA 0.476 4.827 4.350 0.001 0.000 0.263 66 E C 0.343 176.880 176.600 -0.106 0.000 1.030 66 E CA 0.899 57.229 56.400 -0.118 0.000 0.934 66 E CB 0.536 30.195 29.700 -0.069 0.000 0.943 66 E HN 1.237 nan 8.360 nan 0.000 0.444 67 G N 1.200 109.936 108.800 -0.107 0.000 2.341 67 G HA2 0.175 4.135 3.960 0.001 0.000 0.293 67 G HA3 0.175 4.135 3.960 0.001 0.000 0.293 67 G C -1.378 173.377 174.900 -0.241 0.000 1.298 67 G CA -1.096 43.869 45.100 -0.225 0.000 0.868 67 G HN 0.386 nan 8.290 nan 0.000 0.540 68 I N 0.874 121.237 120.570 -0.346 0.000 2.321 68 I HA 0.467 4.638 4.170 0.001 0.000 0.291 68 I C -0.772 175.156 176.117 -0.315 0.000 0.998 68 I CA -0.606 60.557 61.300 -0.229 0.000 1.227 68 I CB 1.133 39.056 38.000 -0.128 0.000 1.368 68 I HN 0.388 nan 8.210 nan 0.000 0.466 69 Y N 4.964 125.044 120.300 -0.366 0.000 2.509 69 Y HA 0.513 5.064 4.550 0.001 0.000 0.341 69 Y C -0.007 175.734 175.900 -0.265 0.000 1.038 69 Y CA -0.890 57.016 58.100 -0.323 0.000 1.089 69 Y CB 1.794 39.868 38.460 -0.642 0.000 1.241 69 Y HN 0.383 nan 8.280 nan 0.000 0.468 70 K N 1.653 122.033 120.400 -0.034 0.000 2.426 70 K HA 0.690 5.010 4.320 0.001 0.000 0.254 70 K C -2.076 174.565 176.600 0.068 0.000 0.936 70 K CA -0.580 55.590 56.287 -0.194 0.000 0.801 70 K CB 1.337 33.258 32.500 -0.966 0.000 1.139 70 K HN 0.527 nan 8.250 nan 0.000 0.424 71 V N 4.043 124.037 119.914 0.134 0.000 2.347 71 V HA 0.255 4.375 4.120 0.001 0.000 0.280 71 V C -0.397 175.727 176.094 0.050 0.000 1.021 71 V CA -0.642 61.735 62.300 0.129 0.000 0.847 71 V CB 1.196 33.113 31.823 0.157 0.000 0.990 71 V HN 0.807 nan 8.190 nan 0.000 0.444 72 E N 5.148 125.383 120.200 0.058 0.000 2.133 72 E HA 0.537 4.888 4.350 0.001 0.000 0.274 72 E C -1.150 175.446 176.600 -0.006 0.000 0.930 72 E CA -0.586 55.799 56.400 -0.025 0.000 0.770 72 E CB 1.233 30.914 29.700 -0.032 0.000 1.104 72 E HN 0.650 nan 8.360 nan 0.000 0.403 73 I N 3.979 124.521 120.570 -0.047 0.000 2.330 73 I HA 0.097 4.267 4.170 0.001 0.000 0.289 73 I C -0.136 175.978 176.117 -0.004 0.000 1.001 73 I CA -0.698 60.573 61.300 -0.049 0.000 1.193 73 I CB 1.285 39.214 38.000 -0.119 0.000 1.345 73 I HN 0.501 nan 8.210 nan 0.000 0.461 74 D N 4.997 125.417 120.400 0.034 0.000 2.597 74 D HA -0.028 4.612 4.640 0.001 0.000 0.228 74 D C 1.544 177.881 176.300 0.063 0.000 1.120 74 D CA 0.061 54.108 54.000 0.078 0.000 1.083 74 D CB 0.497 41.353 40.800 0.092 0.000 1.116 74 D HN 0.671 nan 8.370 nan 0.000 0.487 75 T N -0.198 114.398 114.554 0.069 0.000 2.867 75 T HA -0.170 4.180 4.350 0.001 0.000 0.268 75 T C 1.826 176.663 174.700 0.228 0.000 1.057 75 T CA 0.834 62.990 62.100 0.093 0.000 1.136 75 T CB -0.051 68.904 68.868 0.146 0.000 0.874 75 T HN 0.280 nan 8.240 nan 0.000 0.466 76 K N 1.105 121.637 120.400 0.219 0.000 2.009 76 K HA -0.112 4.208 4.320 0.001 0.000 0.210 76 K C 2.595 179.303 176.600 0.179 0.000 1.049 76 K CA 1.691 58.109 56.287 0.219 0.000 0.929 76 K CB -0.401 32.173 32.500 0.125 0.000 0.714 76 K HN 0.340 nan 8.250 nan 0.000 0.440 77 S N -0.086 115.688 115.700 0.124 0.000 2.382 77 S HA -0.176 4.295 4.470 0.001 0.000 0.228 77 S C 1.574 176.212 174.600 0.063 0.000 1.027 77 S CA 1.270 59.522 58.200 0.085 0.000 0.991 77 S CB -0.462 62.782 63.200 0.072 0.000 0.823 77 S HN 0.420 nan 8.310 nan 0.000 0.469 78 Y N 0.810 121.055 120.300 -0.091 0.000 2.114 78 Y HA -0.192 4.358 4.550 0.000 0.000 0.284 78 Y C 1.839 177.599 175.900 -0.234 0.000 1.143 78 Y CA 1.351 59.307 58.100 -0.240 0.000 1.135 78 Y CB -0.583 37.609 38.460 -0.447 0.000 0.980 78 Y HN 0.290 nan 8.280 nan 0.000 0.499 79 W N 0.821 122.133 121.300 0.020 0.000 2.388 79 W HA -0.127 4.533 4.660 -0.000 0.000 0.294 79 W C 2.295 178.768 176.519 -0.077 0.000 1.212 79 W CA 0.720 58.031 57.345 -0.058 0.000 1.271 79 W CB -0.085 29.417 29.460 0.070 0.000 1.126 79 W HN -0.159 nan 8.180 nan 0.000 0.535 80 K N 0.374 120.873 120.400 0.165 0.000 2.063 80 K HA -0.135 4.185 4.320 0.001 0.000 0.208 80 K C 2.104 178.717 176.600 0.022 0.000 1.048 80 K CA 1.548 57.889 56.287 0.089 0.000 0.928 80 K CB -1.154 31.388 32.500 0.069 0.000 0.713 80 K HN 0.177 nan 8.250 nan 0.000 0.442 81 A N 1.064 123.859 122.820 -0.042 0.000 2.070 81 A HA -0.075 4.246 4.320 0.001 0.000 0.220 81 A C 2.008 179.536 177.584 -0.094 0.000 1.159 81 A CA 1.051 53.041 52.037 -0.079 0.000 0.656 81 A CB -0.415 18.512 19.000 -0.122 0.000 0.800 81 A HN 0.204 nan 8.150 nan 0.000 0.453 82 L N -1.642 119.520 121.223 -0.103 0.000 2.607 82 L HA 0.247 4.588 4.340 0.001 0.000 0.228 82 L C 1.500 178.391 176.870 0.035 0.000 1.123 82 L CA 0.454 55.261 54.840 -0.055 0.000 0.890 82 L CB -0.037 41.978 42.059 -0.073 0.000 1.103 82 L HN 0.532 nan 8.230 nan 0.000 0.468 83 G N 1.343 110.171 108.800 0.047 0.000 2.137 83 G HA2 -0.265 3.695 3.960 0.001 0.000 0.237 83 G HA3 -0.265 3.695 3.960 0.001 0.000 0.237 83 G C -0.004 174.945 174.900 0.081 0.000 1.002 83 G CA -0.123 45.010 45.100 0.056 0.000 0.702 83 G HN 0.297 nan 8.290 nan 0.000 0.515 84 I N 1.608 122.257 120.570 0.131 0.000 2.406 84 I HA 0.393 4.563 4.170 0.001 0.000 0.290 84 I C 0.723 176.904 176.117 0.107 0.000 0.999 84 I CA -0.714 60.657 61.300 0.119 0.000 1.124 84 I CB 2.034 40.122 38.000 0.147 0.000 1.289 84 I HN 0.263 nan 8.210 nan 0.000 0.441 85 S N 7.558 123.295 115.700 0.061 0.000 2.422 85 S HA 0.397 4.867 4.470 0.001 0.000 0.283 85 S C -2.158 172.415 174.600 -0.045 0.000 1.163 85 S CA -1.074 57.150 58.200 0.040 0.000 1.054 85 S CB 0.118 63.351 63.200 0.055 0.000 0.967 85 S HN 0.385 nan 8.310 nan 0.000 0.499 86 P HA 0.273 nan 4.420 nan 0.000 0.278 86 P C 0.143 177.251 177.300 -0.319 0.000 1.258 86 P CA -0.729 62.250 63.100 -0.202 0.000 0.811 86 P CB 0.777 32.534 31.700 0.095 0.000 1.063 87 F N 0.723 120.272 119.950 -0.668 0.000 2.274 87 F HA 0.103 4.631 4.527 0.002 0.000 0.288 87 F C 0.898 176.422 175.800 -0.460 0.000 1.069 87 F CA 0.732 58.283 58.000 -0.749 0.000 1.343 87 F CB -0.617 37.739 39.000 -1.074 0.000 1.089 87 F HN 0.284 nan 8.300 nan 0.000 0.517 88 H N 0.636 119.636 119.070 -0.116 0.000 2.562 88 H HA 0.172 4.729 4.556 0.001 0.000 0.352 88 H C 1.207 176.439 175.328 -0.160 0.000 1.125 88 H CA -0.072 55.895 56.048 -0.135 0.000 1.379 88 H CB 0.620 30.471 29.762 0.149 0.000 1.464 88 H HN 0.054 nan 8.280 nan 0.000 0.563 89 E N 1.424 121.526 120.200 -0.162 0.000 2.152 89 E HA -0.057 4.294 4.350 0.001 0.000 0.192 89 E C 0.331 176.869 176.600 -0.103 0.000 0.983 89 E CA 1.079 57.355 56.400 -0.205 0.000 0.818 89 E CB 0.162 29.638 29.700 -0.373 0.000 0.758 89 E HN 0.812 nan 8.360 nan 0.000 0.467 90 H N -3.589 115.517 119.070 0.059 0.000 2.868 90 H HA 0.582 5.138 4.556 0.000 0.000 0.278 90 H C -1.456 173.809 175.328 -0.105 0.000 1.454 90 H CA -0.763 55.281 56.048 -0.008 0.000 1.145 90 H CB 0.695 30.444 29.762 -0.022 0.000 1.808 90 H HN -0.061 nan 8.280 nan 0.000 0.500 91 A N 1.071 123.876 122.820 -0.024 0.000 2.318 91 A HA 0.499 4.820 4.320 0.001 0.000 0.317 91 A C -0.586 176.951 177.584 -0.077 0.000 1.159 91 A CA -0.658 51.148 52.037 -0.384 0.000 0.799 91 A CB 1.143 19.585 19.000 -0.930 0.000 1.194 91 A HN 0.584 nan 8.150 nan 0.000 0.479 92 E N 1.032 121.259 120.200 0.045 0.000 2.199 92 E HA 0.552 4.902 4.350 0.001 0.000 0.269 92 E C -1.387 175.265 176.600 0.087 0.000 0.899 92 E CA -0.773 55.657 56.400 0.049 0.000 0.772 92 E CB 2.475 32.214 29.700 0.066 0.000 1.155 92 E HN 0.345 nan 8.360 nan 0.000 0.408 93 V N 3.320 123.287 119.914 0.088 0.000 2.409 93 V HA 0.270 4.390 4.120 0.001 0.000 0.290 93 V C -0.601 175.646 176.094 0.255 0.000 1.017 93 V CA -0.781 61.620 62.300 0.168 0.000 0.841 93 V CB 1.626 33.534 31.823 0.142 0.000 1.003 93 V HN 0.408 nan 8.190 nan 0.000 0.426 94 V N 6.760 126.828 119.914 0.258 0.000 2.417 94 V HA 0.724 4.845 4.120 0.001 0.000 0.291 94 V C -0.484 175.836 176.094 0.377 0.000 1.024 94 V CA -0.484 61.965 62.300 0.249 0.000 0.861 94 V CB 1.214 33.144 31.823 0.178 0.000 0.985 94 V HN 0.809 nan 8.190 nan 0.000 0.436 95 F N 1.284 121.329 119.950 0.158 0.000 2.686 95 F HA 0.788 5.315 4.527 0.001 0.000 0.311 95 F C -0.476 175.418 175.800 0.156 0.000 1.128 95 F CA -0.986 57.101 58.000 0.144 0.000 0.946 95 F CB 1.488 40.567 39.000 0.132 0.000 1.336 95 F HN 0.211 nan 8.300 nan 0.000 0.457 96 T N 1.954 116.615 114.554 0.178 0.000 2.767 96 T HA 0.682 5.033 4.350 0.001 0.000 0.284 96 T C -0.180 174.605 174.700 0.141 0.000 0.973 96 T CA -0.264 61.870 62.100 0.058 0.000 0.996 96 T CB 1.127 70.040 68.868 0.075 0.000 0.927 96 T HN 0.906 nan 8.240 nan 0.000 0.456 97 A N 3.463 126.266 122.820 -0.030 0.000 2.310 97 A HA 0.281 4.602 4.320 0.001 0.000 0.300 97 A C 1.477 179.070 177.584 0.014 0.000 1.269 97 A CA -0.574 51.394 52.037 -0.116 0.000 0.909 97 A CB -0.066 18.550 19.000 -0.641 0.000 1.144 97 A HN 0.831 nan 8.150 nan 0.000 0.540 98 N N 2.191 120.998 118.700 0.178 0.000 2.207 98 N HA -0.159 4.581 4.740 0.001 0.000 0.182 98 N C 0.876 176.435 175.510 0.082 0.000 1.020 98 N CA 1.555 54.676 53.050 0.119 0.000 0.858 98 N CB -0.008 38.564 38.487 0.141 0.000 0.991 98 N HN 0.850 nan 8.380 nan 0.000 0.427 99 D N -0.677 119.802 120.400 0.131 0.000 2.229 99 D HA -0.191 4.450 4.640 0.001 0.000 0.162 99 D C -0.638 175.705 176.300 0.072 0.000 1.436 99 D CA 1.228 55.281 54.000 0.089 0.000 1.324 99 D CB -1.871 38.940 40.800 0.019 0.000 1.258 99 D HN 0.392 nan 8.370 nan 0.000 0.477 100 S N 1.002 116.738 115.700 0.060 0.000 2.780 100 S HA 0.429 4.899 4.470 0.001 0.000 0.339 100 S C 0.837 175.458 174.600 0.036 0.000 1.183 100 S CA 1.090 59.315 58.200 0.041 0.000 1.358 100 S CB 0.242 63.464 63.200 0.036 0.000 1.167 100 S HN 1.358 nan 8.310 nan 0.000 0.556 101 G N 3.467 112.286 108.800 0.033 0.000 2.690 101 G HA2 -0.047 3.914 3.960 0.001 0.000 0.686 101 G HA3 -0.047 3.914 3.960 0.001 0.000 0.686 101 G C -3.170 171.749 174.900 0.031 0.000 1.277 101 G CA -1.094 44.021 45.100 0.025 0.000 0.799 101 G HN 0.632 nan 8.290 nan 0.000 0.613 102 P HA 0.334 nan 4.420 nan 0.000 0.261 102 P C 0.011 177.317 177.300 0.011 0.000 1.203 102 P CA 0.527 63.645 63.100 0.031 0.000 0.767 102 P CB 0.308 32.021 31.700 0.022 0.000 0.785 103 R N 3.138 123.656 120.500 0.030 0.000 2.564 103 R HA 0.481 4.821 4.340 0.001 0.000 0.284 103 R C -0.495 175.801 176.300 -0.007 0.000 1.031 103 R CA -0.950 55.116 56.100 -0.057 0.000 0.904 103 R CB 2.339 32.541 30.300 -0.163 0.000 1.199 103 R HN 0.283 nan 8.270 nan 0.000 0.443 104 R N 2.312 122.758 120.500 -0.089 0.000 2.445 104 R HA 0.349 4.690 4.340 0.001 0.000 0.308 104 R C -1.047 175.189 176.300 -0.107 0.000 0.961 104 R CA -0.710 55.395 56.100 0.008 0.000 0.862 104 R CB 1.226 31.526 30.300 0.000 0.000 1.144 104 R HN 0.521 nan 8.270 nan 0.000 0.447 105 Y N 0.305 120.608 120.300 0.005 0.000 2.331 105 Y HA 0.295 4.845 4.550 0.001 0.000 0.338 105 Y C 0.449 176.279 175.900 -0.117 0.000 0.976 105 Y CA -0.356 57.714 58.100 -0.051 0.000 1.137 105 Y CB 2.053 40.503 38.460 -0.016 0.000 1.172 105 Y HN 0.314 nan 8.280 nan 0.000 0.478 106 T N 5.506 120.052 114.554 -0.013 0.000 2.791 106 T HA 0.467 4.817 4.350 0.001 0.000 0.288 106 T C -0.486 174.158 174.700 -0.092 0.000 0.999 106 T CA -0.510 61.552 62.100 -0.064 0.000 0.952 106 T CB 0.275 69.104 68.868 -0.065 0.000 0.938 106 T HN 0.256 nan 8.240 nan 0.000 0.444 107 I N 3.542 124.042 120.570 -0.116 0.000 2.312 107 I HA 0.592 4.762 4.170 0.001 0.000 0.290 107 I C 0.415 176.475 176.117 -0.095 0.000 1.008 107 I CA -0.873 60.350 61.300 -0.128 0.000 1.226 107 I CB 0.562 38.473 38.000 -0.147 0.000 1.371 107 I HN 0.636 nan 8.210 nan 0.000 0.468 108 A N 5.575 128.353 122.820 -0.070 0.000 2.355 108 A HA 0.954 5.274 4.320 0.001 0.000 0.324 108 A C -0.544 177.023 177.584 -0.028 0.000 1.117 108 A CA -0.532 51.472 52.037 -0.055 0.000 0.785 108 A CB 1.672 20.646 19.000 -0.042 0.000 1.254 108 A HN 0.800 nan 8.150 nan 0.000 0.453 109 A N 1.172 123.974 122.820 -0.031 0.000 2.398 109 A HA 0.646 4.967 4.320 0.001 0.000 0.301 109 A C -1.469 176.122 177.584 0.011 0.000 1.041 109 A CA -0.402 51.636 52.037 0.003 0.000 0.711 109 A CB 1.209 20.184 19.000 -0.041 0.000 1.240 109 A HN 1.555 nan 8.150 nan 0.000 0.420 110 L N 3.350 124.617 121.223 0.073 0.000 2.280 110 L HA 0.668 5.008 4.340 0.001 0.000 0.287 110 L C -1.098 175.875 176.870 0.172 0.000 1.023 110 L CA -0.266 54.628 54.840 0.091 0.000 0.819 110 L CB 0.729 42.841 42.059 0.089 0.000 1.212 110 L HN 0.607 nan 8.230 nan 0.000 0.420 111 L N 4.323 125.664 121.223 0.196 0.000 2.309 111 L HA 0.689 5.029 4.340 0.001 0.000 0.282 111 L C 0.094 177.325 176.870 0.602 0.000 1.036 111 L CA -0.345 54.728 54.840 0.389 0.000 0.806 111 L CB 1.588 43.837 42.059 0.317 0.000 1.220 111 L HN 0.607 nan 8.230 nan 0.000 0.429 112 S N 1.694 117.713 115.700 0.530 0.000 2.595 112 S HA 0.434 4.904 4.470 0.001 0.000 0.281 112 S C -2.060 172.466 174.600 -0.124 0.000 1.117 112 S CA -0.923 57.413 58.200 0.227 0.000 0.873 112 S CB 2.462 65.748 63.200 0.143 0.000 1.108 112 S HN 0.345 nan 8.310 nan 0.000 0.477 113 P HA -0.071 nan 4.420 nan 0.000 0.216 113 P C 0.102 177.275 177.300 -0.213 0.000 1.153 113 P CA 1.455 64.086 63.100 -0.781 0.000 0.858 113 P CB 0.065 31.451 31.700 -0.524 0.000 0.789 114 Y N -2.061 118.193 120.300 -0.077 0.000 2.584 114 Y HA 0.451 5.001 4.550 0.001 0.000 0.254 114 Y C 0.758 176.752 175.900 0.157 0.000 1.177 114 Y CA -0.084 58.028 58.100 0.020 0.000 1.216 114 Y CB 0.532 38.906 38.460 -0.144 0.000 1.172 114 Y HN -0.158 nan 8.280 nan 0.000 0.529 115 S N 0.022 115.921 115.700 0.332 0.000 2.565 115 S HA 0.671 5.142 4.470 0.001 0.000 0.269 115 S C -1.993 172.759 174.600 0.253 0.000 1.153 115 S CA -0.502 57.839 58.200 0.235 0.000 0.835 115 S CB 0.952 64.214 63.200 0.104 0.000 1.122 115 S HN 0.176 nan 8.310 nan 0.000 0.462 116 Y N -0.533 119.797 120.300 0.049 0.000 2.558 116 Y HA 0.810 5.360 4.550 0.000 0.000 0.333 116 Y C -1.061 174.847 175.900 0.013 0.000 1.125 116 Y CA -0.849 57.270 58.100 0.031 0.000 1.039 116 Y CB 0.955 39.404 38.460 -0.017 0.000 1.331 116 Y HN 0.449 nan 8.280 nan 0.000 0.456 117 S N 1.715 117.535 115.700 0.199 0.000 2.513 117 S HA 0.766 5.237 4.470 0.001 0.000 0.299 117 S C -0.955 173.746 174.600 0.168 0.000 1.087 117 S CA -0.740 57.526 58.200 0.109 0.000 1.012 117 S CB 1.906 65.143 63.200 0.062 0.000 1.044 117 S HN 0.842 nan 8.310 nan 0.000 0.485 118 T N 1.144 115.778 114.554 0.134 0.000 2.912 118 T HA 0.712 5.062 4.350 0.001 0.000 0.299 118 T C -0.965 173.766 174.700 0.051 0.000 1.052 118 T CA -0.287 61.875 62.100 0.103 0.000 0.996 118 T CB 1.815 70.768 68.868 0.141 0.000 1.070 118 T HN 0.574 nan 8.240 nan 0.000 0.465 119 T N 1.626 116.190 114.554 0.017 0.000 2.864 119 T HA 0.806 5.157 4.350 0.001 0.000 0.299 119 T C -1.619 173.061 174.700 -0.034 0.000 1.166 119 T CA -0.284 61.815 62.100 -0.002 0.000 1.007 119 T CB 1.406 70.273 68.868 -0.002 0.000 1.219 119 T HN 0.980 nan 8.240 nan 0.000 0.506 120 A N 1.886 124.680 122.820 -0.044 0.000 2.371 120 A HA 0.772 5.092 4.320 0.001 0.000 0.311 120 A C -1.203 176.343 177.584 -0.064 0.000 1.068 120 A CA -0.543 51.448 52.037 -0.076 0.000 0.744 120 A CB 1.544 20.483 19.000 -0.102 0.000 1.239 120 A HN 0.712 nan 8.150 nan 0.000 0.435 121 V N 2.827 122.696 119.914 -0.075 0.000 2.378 121 V HA 0.440 4.560 4.120 0.001 0.000 0.288 121 V C -0.535 175.488 176.094 -0.117 0.000 1.016 121 V CA -0.482 61.773 62.300 -0.076 0.000 0.840 121 V CB 1.315 33.103 31.823 -0.059 0.000 0.994 121 V HN 0.626 nan 8.190 nan 0.000 0.431 122 V N 5.003 124.829 119.914 -0.147 0.000 2.350 122 V HA 0.671 4.791 4.120 0.001 0.000 0.285 122 V C 0.369 176.355 176.094 -0.181 0.000 1.014 122 V CA -0.187 61.959 62.300 -0.256 0.000 0.831 122 V CB 1.654 33.278 31.823 -0.332 0.000 1.000 122 V HN 1.033 nan 8.190 nan 0.000 0.433 123 T N 0.000 114.456 114.554 -0.164 0.000 3.816 123 T HA 0.000 4.350 4.350 0.001 0.000 0.228 123 T CA 0.000 62.040 62.100 -0.101 0.000 1.349 123 T CB 0.000 68.829 68.868 -0.065 0.000 0.612 123 T HN 0.000 nan 8.240 nan 0.000 0.658