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 1dvu_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 0.000 174.992 174.990 0.004 0.000 1.270 10 C CA 0.000 59.025 59.018 0.011 0.000 1.963 10 C CB 0.000 27.768 27.740 0.047 0.000 2.134 11 P HA 0.086 nan 4.420 nan 0.000 0.229 11 P C 0.093 177.376 177.300 -0.029 0.000 1.160 11 P CA 0.598 63.729 63.100 0.051 0.000 0.777 11 P CB 0.498 32.290 31.700 0.155 0.000 0.814 12 L N -0.059 121.033 121.223 -0.219 0.000 2.409 12 L HA 0.632 4.972 4.340 0.001 0.000 0.272 12 L C -1.015 175.743 176.870 -0.186 0.000 0.980 12 L CA -0.754 53.932 54.840 -0.256 0.000 0.826 12 L CB 2.127 43.837 42.059 -0.581 0.000 1.268 12 L HN -0.231 nan 8.230 nan 0.000 0.407 13 M N 5.256 124.761 119.600 -0.157 0.000 2.446 13 M HA 0.611 5.092 4.480 0.001 0.000 0.294 13 M C -1.972 174.205 176.300 -0.205 0.000 1.158 13 M CA -0.568 54.593 55.300 -0.231 0.000 0.899 13 M CB 2.255 34.696 32.600 -0.264 0.000 1.687 13 M HN 0.391 nan 8.290 nan 0.000 0.455 14 V N 4.106 123.882 119.914 -0.231 0.000 2.604 14 V HA 0.575 4.695 4.120 0.001 0.000 0.305 14 V C -0.657 175.328 176.094 -0.181 0.000 1.043 14 V CA -0.791 61.406 62.300 -0.173 0.000 0.888 14 V CB 2.179 33.919 31.823 -0.139 0.000 0.995 14 V HN 0.838 nan 8.190 nan 0.000 0.429 15 K N 3.219 123.535 120.400 -0.140 0.000 2.443 15 K HA 0.796 5.116 4.320 0.001 0.000 0.252 15 K C -1.846 174.688 176.600 -0.111 0.000 0.933 15 K CA -0.471 55.744 56.287 -0.120 0.000 0.792 15 K CB 2.164 34.606 32.500 -0.096 0.000 1.185 15 K HN 0.483 nan 8.250 nan 0.000 0.425 16 V N 5.556 125.393 119.914 -0.128 0.000 2.531 16 V HA 0.505 4.625 4.120 0.001 0.000 0.301 16 V C -0.686 175.314 176.094 -0.157 0.000 1.034 16 V CA -0.884 61.320 62.300 -0.160 0.000 0.865 16 V CB 1.425 33.105 31.823 -0.238 0.000 0.995 16 V HN 0.680 nan 8.190 nan 0.000 0.424 17 L N 3.065 124.218 121.223 -0.117 0.000 2.341 17 L HA 0.653 4.993 4.340 0.001 0.000 0.267 17 L C -0.573 176.265 176.870 -0.053 0.000 1.009 17 L CA -0.524 54.272 54.840 -0.074 0.000 0.819 17 L CB 2.157 44.206 42.059 -0.017 0.000 1.323 17 L HN 0.540 nan 8.230 nan 0.000 0.425 18 D N 1.142 121.539 120.400 -0.004 0.000 2.373 18 D HA 0.362 5.002 4.640 0.001 0.000 0.227 18 D C 0.391 176.803 176.300 0.187 0.000 1.091 18 D CA -0.287 53.781 54.000 0.113 0.000 0.840 18 D CB 2.175 43.059 40.800 0.139 0.000 1.060 18 D HN 0.612 nan 8.370 nan 0.000 0.502 19 A N 3.319 126.290 122.820 0.252 0.000 2.206 19 A HA 0.035 4.356 4.320 0.001 0.000 0.211 19 A C 1.848 179.555 177.584 0.205 0.000 1.158 19 A CA 0.390 52.546 52.037 0.198 0.000 0.761 19 A CB 0.187 19.296 19.000 0.182 0.000 0.801 19 A HN 0.482 nan 8.150 nan 0.000 0.473 20 V N -0.510 119.585 119.914 0.301 0.000 2.500 20 V HA -0.060 4.061 4.120 0.001 0.000 0.243 20 V C 2.294 178.504 176.094 0.192 0.000 1.039 20 V CA 1.585 64.034 62.300 0.248 0.000 1.053 20 V CB -0.496 31.535 31.823 0.347 0.000 0.695 20 V HN 0.519 nan 8.190 nan 0.000 0.463 21 R N -0.049 120.575 120.500 0.207 0.000 2.334 21 R HA 0.297 4.637 4.340 0.001 0.000 0.212 21 R C 1.334 177.698 176.300 0.105 0.000 0.897 21 R CA 0.627 56.813 56.100 0.142 0.000 1.056 21 R CB 0.502 30.887 30.300 0.143 0.000 1.046 21 R HN 0.514 nan 8.270 nan 0.000 0.513 22 G N 2.255 111.120 108.800 0.108 0.000 2.298 22 G HA2 -0.281 3.680 3.960 0.001 0.000 0.287 22 G HA3 -0.281 3.680 3.960 0.001 0.000 0.287 22 G C -0.149 174.788 174.900 0.062 0.000 1.075 22 G CA 0.565 45.711 45.100 0.077 0.000 0.960 22 G HN 0.447 nan 8.290 nan 0.000 0.502 23 S N -1.845 113.894 115.700 0.066 0.000 2.638 23 S HA 0.871 5.341 4.470 0.001 0.000 0.274 23 S C -3.195 171.420 174.600 0.025 0.000 1.157 23 S CA -1.528 56.699 58.200 0.046 0.000 0.826 23 S CB 2.811 66.044 63.200 0.054 0.000 1.139 23 S HN 0.082 nan 8.310 nan 0.000 0.474 24 P HA 0.392 nan 4.420 nan 0.000 0.272 24 P C -1.081 176.186 177.300 -0.055 0.000 1.223 24 P CA -0.191 62.891 63.100 -0.029 0.000 0.784 24 P CB 0.339 32.027 31.700 -0.020 0.000 0.923 25 A N 3.822 126.543 122.820 -0.165 0.000 2.391 25 A HA 0.394 4.714 4.320 0.001 0.000 0.316 25 A C 0.098 177.554 177.584 -0.213 0.000 1.381 25 A CA -0.455 51.369 52.037 -0.354 0.000 0.998 25 A CB -0.861 17.670 19.000 -0.781 0.000 1.147 25 A HN 0.443 nan 8.150 nan 0.000 0.545 26 I N 1.997 122.552 120.570 -0.024 0.000 2.532 26 I HA 0.175 4.345 4.170 0.001 0.000 0.292 26 I C 0.309 176.446 176.117 0.034 0.000 1.014 26 I CA -0.525 60.777 61.300 0.003 0.000 1.340 26 I CB 0.658 38.677 38.000 0.030 0.000 1.422 26 I HN 0.721 nan 8.210 nan 0.000 0.528 27 N N 2.181 120.880 118.700 -0.002 0.000 2.747 27 N HA -0.135 4.606 4.740 0.001 0.000 0.249 27 N C -0.794 174.719 175.510 0.006 0.000 1.107 27 N CA 0.340 53.392 53.050 0.005 0.000 0.707 27 N CB -1.106 37.396 38.487 0.024 0.000 1.054 27 N HN 0.272 nan 8.380 nan 0.000 0.555 28 V N 0.655 120.539 119.914 -0.050 0.000 2.461 28 V HA 0.528 4.649 4.120 0.001 0.000 0.275 28 V C 1.043 177.099 176.094 -0.063 0.000 1.047 28 V CA -0.699 61.556 62.300 -0.074 0.000 0.955 28 V CB 1.493 33.186 31.823 -0.217 0.000 0.988 28 V HN 0.370 nan 8.190 nan 0.000 0.471 29 A N 5.487 128.295 122.820 -0.020 0.000 2.450 29 A HA 0.607 4.927 4.320 0.001 0.000 0.255 29 A C -0.359 177.215 177.584 -0.017 0.000 1.096 29 A CA -0.154 51.874 52.037 -0.016 0.000 0.778 29 A CB 0.396 19.443 19.000 0.078 0.000 1.031 29 A HN 0.701 nan 8.150 nan 0.000 0.494 30 V N 3.959 123.806 119.914 -0.111 0.000 2.577 30 V HA 0.386 4.506 4.120 0.001 0.000 0.303 30 V C -0.968 174.986 176.094 -0.234 0.000 1.042 30 V CA -0.508 61.737 62.300 -0.092 0.000 0.872 30 V CB 1.679 33.435 31.823 -0.113 0.000 0.998 30 V HN 1.001 nan 8.190 nan 0.000 0.423 31 H N 2.029 121.038 119.070 -0.102 0.000 2.529 31 H HA 0.743 5.300 4.556 0.002 0.000 0.348 31 H C -0.638 174.527 175.328 -0.270 0.000 1.079 31 H CA -0.495 55.416 56.048 -0.229 0.000 1.198 31 H CB 2.080 31.710 29.762 -0.220 0.000 1.521 31 H HN 0.442 nan 8.280 nan 0.000 0.514 32 V N 4.304 124.052 119.914 -0.276 0.000 2.513 32 V HA 0.449 4.570 4.120 0.001 0.000 0.299 32 V C -0.744 175.194 176.094 -0.259 0.000 1.035 32 V CA -0.688 61.563 62.300 -0.081 0.000 0.889 32 V CB 0.899 32.812 31.823 0.151 0.000 0.988 32 V HN 0.539 nan 8.190 nan 0.000 0.440 33 F N 2.428 122.468 119.950 0.149 0.000 2.588 33 F HA 0.740 5.268 4.527 0.001 0.000 0.314 33 F C 0.073 175.980 175.800 0.179 0.000 1.069 33 F CA -0.824 57.288 58.000 0.187 0.000 0.931 33 F CB 2.025 41.061 39.000 0.060 0.000 1.260 33 F HN 0.325 nan 8.300 nan 0.000 0.465 34 R N 1.601 122.311 120.500 0.350 0.000 2.599 34 R HA 0.421 4.761 4.340 0.001 0.000 0.295 34 R C -1.051 175.288 176.300 0.064 0.000 0.963 34 R CA -0.903 55.130 56.100 -0.112 0.000 0.883 34 R CB 1.609 31.653 30.300 -0.427 0.000 1.171 34 R HN 0.709 nan 8.270 nan 0.000 0.450 35 K N 2.576 122.848 120.400 -0.214 0.000 2.339 35 K HA 0.267 4.587 4.320 0.001 0.000 0.286 35 K C -0.588 175.814 176.600 -0.330 0.000 1.050 35 K CA -0.093 55.878 56.287 -0.527 0.000 0.956 35 K CB 1.062 33.063 32.500 -0.832 0.000 0.990 35 K HN 0.667 nan 8.250 nan 0.000 0.475 36 A N 3.221 125.889 122.820 -0.253 0.000 2.272 36 A HA 0.424 4.744 4.320 0.001 0.000 0.275 36 A C 1.139 178.617 177.584 -0.176 0.000 1.096 36 A CA 0.305 52.247 52.037 -0.159 0.000 0.822 36 A CB 0.597 19.544 19.000 -0.088 0.000 1.088 36 A HN 0.928 nan 8.150 nan 0.000 0.495 37 A N 0.272 123.019 122.820 -0.123 0.000 2.032 37 A HA -0.144 4.177 4.320 0.001 0.000 0.221 37 A C 1.210 178.726 177.584 -0.114 0.000 1.165 37 A CA 1.911 53.882 52.037 -0.111 0.000 0.645 37 A CB -0.567 18.388 19.000 -0.075 0.000 0.807 37 A HN 0.842 nan 8.150 nan 0.000 0.453 38 D N -1.458 118.875 120.400 -0.112 0.000 2.370 38 D HA 0.044 4.685 4.640 0.001 0.000 0.230 38 D C -0.602 175.610 176.300 -0.147 0.000 1.143 38 D CA 0.412 54.349 54.000 -0.106 0.000 0.834 38 D CB -0.426 40.328 40.800 -0.076 0.000 0.944 38 D HN 0.371 nan 8.370 nan 0.000 0.504 39 D N -0.099 120.176 120.400 -0.208 0.000 3.012 39 D HA -0.129 4.511 4.640 0.001 0.000 0.222 39 D C -0.505 175.572 176.300 -0.371 0.000 1.167 39 D CA 0.967 54.789 54.000 -0.297 0.000 0.854 39 D CB -1.652 39.016 40.800 -0.220 0.000 1.107 39 D HN 0.304 nan 8.370 nan 0.000 0.421 40 T N -0.228 114.146 114.554 -0.300 0.000 2.902 40 T HA 0.375 4.726 4.350 0.001 0.000 0.283 40 T C 0.194 174.745 174.700 -0.249 0.000 1.009 40 T CA -0.412 61.546 62.100 -0.237 0.000 1.051 40 T CB 0.937 69.752 68.868 -0.088 0.000 0.999 40 T HN 0.047 nan 8.240 nan 0.000 0.474 41 W N 3.416 124.678 121.300 -0.062 0.000 2.387 41 W HA 0.317 4.977 4.660 -0.000 0.000 0.310 41 W C 0.728 177.302 176.519 0.092 0.000 1.181 41 W CA -0.791 56.529 57.345 -0.042 0.000 1.333 41 W CB 0.264 29.592 29.460 -0.220 0.000 1.286 41 W HN 0.643 nan 8.180 nan 0.000 0.455 42 E N 4.237 124.678 120.200 0.403 0.000 2.191 42 E HA 0.458 4.808 4.350 0.001 0.000 0.278 42 E C -2.539 174.340 176.600 0.464 0.000 0.972 42 E CA -2.625 53.987 56.400 0.352 0.000 0.804 42 E CB 1.249 31.069 29.700 0.199 0.000 1.110 42 E HN 0.052 nan 8.360 nan 0.000 0.394 43 P HA -0.082 nan 4.420 nan 0.000 0.264 43 P C -1.170 176.228 177.300 0.164 0.000 1.183 43 P CA 0.255 63.440 63.100 0.141 0.000 0.763 43 P CB 0.213 31.971 31.700 0.096 0.000 0.807 44 F N 3.204 123.099 119.950 -0.092 0.000 2.581 44 F HA 0.590 5.118 4.527 0.000 0.000 0.278 44 F C 0.116 175.891 175.800 -0.040 0.000 1.000 44 F CA 0.606 58.612 58.000 0.009 0.000 1.230 44 F CB 0.416 39.496 39.000 0.132 0.000 1.008 44 F HN 0.388 nan 8.300 nan 0.000 0.695 45 A N -0.322 122.438 122.820 -0.100 0.000 2.567 45 A HA 0.650 4.971 4.320 0.001 0.000 0.291 45 A C -1.138 176.322 177.584 -0.206 0.000 1.048 45 A CA 0.065 51.983 52.037 -0.199 0.000 0.661 45 A CB 0.513 19.395 19.000 -0.196 0.000 1.288 45 A HN 0.582 nan 8.150 nan 0.000 0.424 46 S N -0.813 114.744 115.700 -0.239 0.000 2.611 46 S HA 0.980 5.451 4.470 0.001 0.000 0.268 46 S C -0.206 174.231 174.600 -0.271 0.000 1.156 46 S CA 0.079 58.070 58.200 -0.348 0.000 0.817 46 S CB 1.069 63.933 63.200 -0.560 0.000 1.122 46 S HN 2.753 nan 8.310 nan 0.000 0.466 47 G N 0.310 108.936 108.800 -0.290 0.000 2.340 47 G HA2 0.547 4.507 3.960 0.001 0.000 0.299 47 G HA3 0.547 4.507 3.960 0.001 0.000 0.299 47 G C -2.399 172.402 174.900 -0.165 0.000 1.291 47 G CA -0.913 44.075 45.100 -0.188 0.000 0.841 47 G HN 0.727 nan 8.290 nan 0.000 0.500 48 K N 0.495 120.830 120.400 -0.109 0.000 2.371 48 K HA 0.595 4.915 4.320 0.001 0.000 0.251 48 K C 0.059 176.617 176.600 -0.070 0.000 0.934 48 K CA -0.655 55.582 56.287 -0.084 0.000 0.798 48 K CB 2.130 34.596 32.500 -0.057 0.000 1.204 48 K HN 0.838 nan 8.250 nan 0.000 0.427 49 T N -0.694 113.814 114.554 -0.077 0.000 2.932 49 T HA 0.050 4.400 4.350 0.001 0.000 0.312 49 T C 0.822 175.498 174.700 -0.040 0.000 1.071 49 T CA -0.598 61.460 62.100 -0.069 0.000 1.128 49 T CB 0.746 69.553 68.868 -0.101 0.000 0.984 49 T HN 0.581 nan 8.240 nan 0.000 0.549 50 S N 1.566 117.255 115.700 -0.018 0.000 2.646 50 S HA 0.248 4.719 4.470 0.001 0.000 0.273 50 S C 1.119 175.715 174.600 -0.008 0.000 1.168 50 S CA -0.873 57.325 58.200 -0.005 0.000 1.013 50 S CB 0.404 63.614 63.200 0.017 0.000 1.098 50 S HN 0.726 nan 8.310 nan 0.000 0.544 51 E N 0.843 121.041 120.200 -0.003 0.000 2.333 51 E HA -0.066 4.284 4.350 0.001 0.000 0.198 51 E C 1.879 178.479 176.600 -0.000 0.000 1.007 51 E CA 1.254 57.653 56.400 -0.001 0.000 0.845 51 E CB -0.498 29.201 29.700 -0.001 0.000 0.766 51 E HN 0.747 nan 8.360 nan 0.000 0.507 52 S N -1.095 114.607 115.700 0.004 0.000 2.556 52 S HA 0.269 4.740 4.470 0.001 0.000 0.216 52 S C 1.505 176.102 174.600 -0.005 0.000 0.970 52 S CA 0.439 58.644 58.200 0.008 0.000 0.912 52 S CB 0.356 63.571 63.200 0.025 0.000 0.790 52 S HN 0.245 nan 8.310 nan 0.000 0.504 53 G N 0.753 109.539 108.800 -0.023 0.000 2.148 53 G HA2 -0.240 3.721 3.960 0.001 0.000 0.254 53 G HA3 -0.240 3.721 3.960 0.001 0.000 0.254 53 G C -0.295 174.565 174.900 -0.066 0.000 0.981 53 G CA 0.346 45.410 45.100 -0.061 0.000 0.670 53 G HN 0.641 nan 8.290 nan 0.000 0.528 54 E N -1.037 119.148 120.200 -0.026 0.000 2.221 54 E HA 0.721 5.071 4.350 0.001 0.000 0.268 54 E C -0.865 175.702 176.600 -0.054 0.000 0.933 54 E CA -1.129 55.235 56.400 -0.059 0.000 0.809 54 E CB 2.259 31.988 29.700 0.047 0.000 1.190 54 E HN 0.209 nan 8.360 nan 0.000 0.406 55 L N 2.384 123.494 121.223 -0.189 0.000 2.415 55 L HA 0.361 4.701 4.340 0.001 0.000 0.268 55 L C -1.593 175.135 176.870 -0.237 0.000 0.984 55 L CA -0.242 54.521 54.840 -0.128 0.000 0.853 55 L CB 0.597 42.578 42.059 -0.130 0.000 1.215 55 L HN 0.548 nan 8.230 nan 0.000 0.419 56 H N 2.593 121.621 119.070 -0.070 0.000 2.693 56 H HA 0.750 5.307 4.556 0.001 0.000 0.348 56 H C 0.897 176.181 175.328 -0.074 0.000 1.222 56 H CA -0.227 55.780 56.048 -0.068 0.000 1.270 56 H CB 1.551 31.280 29.762 -0.055 0.000 1.798 56 H HN 0.729 nan 8.280 nan 0.000 0.592 57 G N 0.210 109.049 108.800 0.065 0.000 2.198 57 G HA2 -0.289 3.671 3.960 0.001 0.000 0.260 57 G HA3 -0.289 3.671 3.960 0.001 0.000 0.260 57 G C 0.804 175.672 174.900 -0.054 0.000 1.025 57 G CA 0.683 45.781 45.100 -0.003 0.000 0.769 57 G HN 0.527 nan 8.290 nan 0.000 0.507 58 L N -1.256 119.919 121.223 -0.080 0.000 2.141 58 L HA 0.183 4.524 4.340 0.001 0.000 0.209 58 L C 1.719 178.513 176.870 -0.126 0.000 1.094 58 L CA 1.893 56.668 54.840 -0.108 0.000 0.763 58 L CB 0.001 41.996 42.059 -0.106 0.000 0.908 58 L HN 0.498 nan 8.230 nan 0.000 0.437 59 T N -2.271 112.219 114.554 -0.107 0.000 2.665 59 T HA 0.394 4.745 4.350 0.001 0.000 0.303 59 T C -0.960 173.721 174.700 -0.032 0.000 1.334 59 T CA -0.200 61.852 62.100 -0.080 0.000 1.011 59 T CB 1.653 70.542 68.868 0.034 0.000 1.573 59 T HN 0.132 nan 8.240 nan 0.000 0.492 60 T N -1.014 113.562 114.554 0.037 0.000 2.930 60 T HA 0.486 4.836 4.350 0.001 0.000 0.290 60 T C 1.123 175.913 174.700 0.150 0.000 1.052 60 T CA -0.218 61.920 62.100 0.064 0.000 1.017 60 T CB 1.676 70.574 68.868 0.050 0.000 1.137 60 T HN 0.793 nan 8.240 nan 0.000 0.511 61 E N 0.342 120.627 120.200 0.142 0.000 2.265 61 E HA -0.196 4.155 4.350 0.001 0.000 0.196 61 E C 1.518 178.231 176.600 0.188 0.000 0.996 61 E CA 1.099 57.618 56.400 0.199 0.000 0.832 61 E CB -0.097 29.692 29.700 0.148 0.000 0.756 61 E HN 0.718 nan 8.360 nan 0.000 0.491 62 E N 1.545 121.830 120.200 0.142 0.000 2.072 62 E HA -0.214 4.136 4.350 0.001 0.000 0.190 62 E C 2.127 178.822 176.600 0.158 0.000 0.982 62 E CA 1.538 58.011 56.400 0.121 0.000 0.803 62 E CB -0.015 29.735 29.700 0.083 0.000 0.755 62 E HN 0.444 nan 8.360 nan 0.000 0.453 63 Q N -1.122 118.798 119.800 0.200 0.000 2.212 63 Q HA -0.050 4.290 4.340 0.001 0.000 0.199 63 Q C 0.068 176.356 176.000 0.480 0.000 0.950 63 Q CA 0.211 56.179 55.803 0.275 0.000 0.863 63 Q CB -0.061 28.793 28.738 0.193 0.000 0.944 63 Q HN 0.255 nan 8.270 nan 0.000 0.465 64 F N 3.641 123.746 119.950 0.259 0.000 2.678 64 F HA 0.170 4.697 4.527 0.000 0.000 0.358 64 F C -0.126 175.748 175.800 0.124 0.000 1.256 64 F CA -1.154 56.961 58.000 0.192 0.000 1.278 64 F CB -0.416 38.627 39.000 0.073 0.000 1.681 64 F HN -0.084 nan 8.300 nan 0.000 0.661 65 V N 0.699 120.655 119.914 0.071 0.000 3.214 65 V HA 0.351 4.472 4.120 0.001 0.000 0.306 65 V C 0.451 176.458 176.094 -0.145 0.000 1.078 65 V CA -1.226 61.056 62.300 -0.030 0.000 1.077 65 V CB 0.607 32.452 31.823 0.037 0.000 1.121 65 V HN 0.428 nan 8.190 nan 0.000 0.468 66 E N 0.940 121.073 120.200 -0.112 0.000 2.442 66 E HA 0.465 4.815 4.350 0.001 0.000 0.262 66 E C 0.364 176.895 176.600 -0.114 0.000 1.004 66 E CA 0.939 57.271 56.400 -0.113 0.000 0.928 66 E CB 0.480 30.141 29.700 -0.066 0.000 0.937 66 E HN 1.218 nan 8.360 nan 0.000 0.446 67 G N 1.399 110.125 108.800 -0.123 0.000 2.324 67 G HA2 0.213 4.173 3.960 0.001 0.000 0.293 67 G HA3 0.213 4.173 3.960 0.001 0.000 0.293 67 G C -1.398 173.335 174.900 -0.278 0.000 1.297 67 G CA -1.074 43.873 45.100 -0.254 0.000 0.853 67 G HN 0.385 nan 8.290 nan 0.000 0.535 68 I N 0.784 121.120 120.570 -0.390 0.000 2.336 68 I HA 0.486 4.656 4.170 0.001 0.000 0.292 68 I C -0.848 175.053 176.117 -0.359 0.000 0.991 68 I CA -0.629 60.514 61.300 -0.261 0.000 1.227 68 I CB 1.310 39.218 38.000 -0.153 0.000 1.366 68 I HN 0.396 nan 8.210 nan 0.000 0.466 69 Y N 4.742 124.827 120.300 -0.357 0.000 2.509 69 Y HA 0.510 5.060 4.550 0.001 0.000 0.341 69 Y C -0.054 175.711 175.900 -0.224 0.000 1.038 69 Y CA -0.908 57.011 58.100 -0.301 0.000 1.089 69 Y CB 1.868 39.947 38.460 -0.635 0.000 1.241 69 Y HN 0.380 nan 8.280 nan 0.000 0.468 70 K N 1.578 121.960 120.400 -0.031 0.000 2.426 70 K HA 0.703 5.023 4.320 0.001 0.000 0.254 70 K C -2.085 174.553 176.600 0.063 0.000 0.936 70 K CA -0.576 55.584 56.287 -0.212 0.000 0.801 70 K CB 1.341 33.227 32.500 -1.023 0.000 1.139 70 K HN 0.526 nan 8.250 nan 0.000 0.424 71 V N 3.998 123.984 119.914 0.119 0.000 2.347 71 V HA 0.269 4.389 4.120 0.001 0.000 0.280 71 V C -0.460 175.661 176.094 0.045 0.000 1.021 71 V CA -0.656 61.717 62.300 0.123 0.000 0.847 71 V CB 1.221 33.132 31.823 0.146 0.000 0.990 71 V HN 0.813 nan 8.190 nan 0.000 0.444 72 E N 5.038 125.272 120.200 0.057 0.000 2.133 72 E HA 0.569 4.920 4.350 0.001 0.000 0.274 72 E C -1.190 175.403 176.600 -0.012 0.000 0.930 72 E CA -0.586 55.794 56.400 -0.034 0.000 0.770 72 E CB 1.309 30.978 29.700 -0.053 0.000 1.104 72 E HN 0.649 nan 8.360 nan 0.000 0.403 73 I N 3.825 124.362 120.570 -0.055 0.000 2.355 73 I HA 0.118 4.288 4.170 0.001 0.000 0.288 73 I C -0.238 175.873 176.117 -0.009 0.000 0.999 73 I CA -0.751 60.518 61.300 -0.052 0.000 1.163 73 I CB 1.390 39.318 38.000 -0.121 0.000 1.316 73 I HN 0.503 nan 8.210 nan 0.000 0.454 74 D N 4.956 125.374 120.400 0.031 0.000 2.545 74 D HA -0.012 4.629 4.640 0.001 0.000 0.227 74 D C 1.499 177.834 176.300 0.059 0.000 1.150 74 D CA -0.005 54.039 54.000 0.075 0.000 1.046 74 D CB 0.539 41.394 40.800 0.090 0.000 1.098 74 D HN 0.672 nan 8.370 nan 0.000 0.502 75 T N -0.078 114.515 114.554 0.065 0.000 2.904 75 T HA -0.157 4.193 4.350 0.001 0.000 0.267 75 T C 1.805 176.635 174.700 0.216 0.000 1.059 75 T CA 0.774 62.924 62.100 0.084 0.000 1.137 75 T CB -0.042 68.905 68.868 0.132 0.000 0.879 75 T HN 0.287 nan 8.240 nan 0.000 0.467 76 K N 1.143 121.671 120.400 0.213 0.000 2.032 76 K HA -0.104 4.217 4.320 0.001 0.000 0.209 76 K C 2.555 179.259 176.600 0.174 0.000 1.048 76 K CA 1.631 58.047 56.287 0.216 0.000 0.927 76 K CB -0.374 32.200 32.500 0.124 0.000 0.712 76 K HN 0.338 nan 8.250 nan 0.000 0.441 77 S N -0.056 115.716 115.700 0.120 0.000 2.382 77 S HA -0.169 4.302 4.470 0.001 0.000 0.228 77 S C 1.568 176.203 174.600 0.058 0.000 1.027 77 S CA 1.214 59.463 58.200 0.082 0.000 0.991 77 S CB -0.449 62.792 63.200 0.070 0.000 0.823 77 S HN 0.425 nan 8.310 nan 0.000 0.469 78 Y N 0.769 121.014 120.300 -0.093 0.000 2.145 78 Y HA -0.180 4.371 4.550 0.001 0.000 0.286 78 Y C 1.824 177.586 175.900 -0.230 0.000 1.145 78 Y CA 1.308 59.265 58.100 -0.237 0.000 1.148 78 Y CB -0.537 37.660 38.460 -0.439 0.000 0.981 78 Y HN 0.288 nan 8.280 nan 0.000 0.507 79 W N 0.775 122.082 121.300 0.013 0.000 2.418 79 W HA -0.089 4.571 4.660 0.000 0.000 0.292 79 W C 2.354 178.827 176.519 -0.077 0.000 1.213 79 W CA 1.013 58.324 57.345 -0.057 0.000 1.283 79 W CB -0.120 29.384 29.460 0.072 0.000 1.119 79 W HN -0.122 nan 8.180 nan 0.000 0.542 80 K N 0.201 120.702 120.400 0.168 0.000 2.097 80 K HA -0.130 4.191 4.320 0.001 0.000 0.206 80 K C 2.187 178.801 176.600 0.023 0.000 1.049 80 K CA 1.376 57.718 56.287 0.091 0.000 0.933 80 K CB -0.542 32.001 32.500 0.072 0.000 0.717 80 K HN 0.120 nan 8.250 nan 0.000 0.442 81 A N 1.124 123.918 122.820 -0.043 0.000 2.067 81 A HA -0.070 4.250 4.320 0.001 0.000 0.219 81 A C 1.849 179.379 177.584 -0.091 0.000 1.158 81 A CA 1.064 53.053 52.037 -0.079 0.000 0.661 81 A CB -0.332 18.591 19.000 -0.128 0.000 0.801 81 A HN 0.177 nan 8.150 nan 0.000 0.452 82 L N -1.495 119.669 121.223 -0.099 0.000 2.607 82 L HA 0.241 4.582 4.340 0.001 0.000 0.228 82 L C 1.499 178.392 176.870 0.037 0.000 1.123 82 L CA 0.462 55.273 54.840 -0.048 0.000 0.890 82 L CB -0.048 41.976 42.059 -0.059 0.000 1.103 82 L HN 0.537 nan 8.230 nan 0.000 0.468 83 G N 1.269 110.097 108.800 0.047 0.000 2.137 83 G HA2 -0.265 3.696 3.960 0.001 0.000 0.237 83 G HA3 -0.265 3.696 3.960 0.001 0.000 0.237 83 G C 0.017 174.965 174.900 0.081 0.000 1.002 83 G CA -0.130 45.004 45.100 0.055 0.000 0.702 83 G HN 0.303 nan 8.290 nan 0.000 0.515 84 I N 1.631 122.278 120.570 0.129 0.000 2.406 84 I HA 0.404 4.575 4.170 0.001 0.000 0.290 84 I C 0.667 176.851 176.117 0.112 0.000 0.999 84 I CA -0.720 60.651 61.300 0.118 0.000 1.124 84 I CB 2.053 40.134 38.000 0.135 0.000 1.289 84 I HN 0.252 nan 8.210 nan 0.000 0.441 85 S N 7.430 123.172 115.700 0.070 0.000 2.422 85 S HA 0.435 4.905 4.470 0.001 0.000 0.283 85 S C -2.144 172.446 174.600 -0.016 0.000 1.163 85 S CA -1.064 57.168 58.200 0.053 0.000 1.054 85 S CB 0.224 63.461 63.200 0.062 0.000 0.967 85 S HN 0.399 nan 8.310 nan 0.000 0.499 86 P HA 0.307 nan 4.420 nan 0.000 0.280 86 P C 0.204 177.296 177.300 -0.346 0.000 1.272 86 P CA -0.770 62.194 63.100 -0.227 0.000 0.819 86 P CB 0.776 32.493 31.700 0.028 0.000 1.122 87 F N 0.465 119.967 119.950 -0.747 0.000 2.188 87 F HA 0.091 4.619 4.527 0.002 0.000 0.289 87 F C 0.961 176.479 175.800 -0.469 0.000 1.082 87 F CA 0.795 58.322 58.000 -0.788 0.000 1.282 87 F CB -0.783 37.546 39.000 -1.119 0.000 1.060 87 F HN 0.275 nan 8.300 nan 0.000 0.493 88 H N 0.698 119.694 119.070 -0.122 0.000 2.629 88 H HA 0.146 4.702 4.556 0.001 0.000 0.357 88 H C 1.235 176.471 175.328 -0.153 0.000 1.121 88 H CA 0.046 56.012 56.048 -0.137 0.000 1.406 88 H CB 0.557 30.420 29.762 0.168 0.000 1.456 88 H HN 0.085 nan 8.280 nan 0.000 0.579 89 E N 1.363 121.475 120.200 -0.147 0.000 2.107 89 E HA -0.054 4.297 4.350 0.001 0.000 0.191 89 E C 0.343 176.895 176.600 -0.080 0.000 0.982 89 E CA 1.088 57.373 56.400 -0.192 0.000 0.809 89 E CB 0.179 29.655 29.700 -0.373 0.000 0.756 89 E HN 0.815 nan 8.360 nan 0.000 0.459 90 H N -3.514 115.593 119.070 0.061 0.000 2.904 90 H HA 0.621 5.178 4.556 0.000 0.000 0.290 90 H C -1.414 173.861 175.328 -0.087 0.000 1.437 90 H CA -0.817 55.229 56.048 -0.003 0.000 1.147 90 H CB 0.819 30.570 29.762 -0.019 0.000 1.824 90 H HN -0.051 nan 8.280 nan 0.000 0.505 91 A N 1.005 123.818 122.820 -0.011 0.000 2.330 91 A HA 0.517 4.838 4.320 0.001 0.000 0.327 91 A C -0.597 176.949 177.584 -0.063 0.000 1.155 91 A CA -0.659 51.168 52.037 -0.349 0.000 0.803 91 A CB 1.232 19.684 19.000 -0.913 0.000 1.208 91 A HN 0.615 nan 8.150 nan 0.000 0.477 92 E N 0.862 121.093 120.200 0.051 0.000 2.222 92 E HA 0.561 4.912 4.350 0.001 0.000 0.267 92 E C -1.489 175.163 176.600 0.087 0.000 0.884 92 E CA -0.784 55.645 56.400 0.048 0.000 0.764 92 E CB 2.522 32.261 29.700 0.066 0.000 1.169 92 E HN 0.352 nan 8.360 nan 0.000 0.413 93 V N 2.966 122.930 119.914 0.084 0.000 2.443 93 V HA 0.310 4.431 4.120 0.001 0.000 0.293 93 V C -0.620 175.617 176.094 0.239 0.000 1.021 93 V CA -0.797 61.597 62.300 0.158 0.000 0.848 93 V CB 1.681 33.584 31.823 0.132 0.000 0.998 93 V HN 0.406 nan 8.190 nan 0.000 0.424 94 V N 6.609 126.676 119.914 0.254 0.000 2.448 94 V HA 0.742 4.862 4.120 0.001 0.000 0.295 94 V C -0.529 175.793 176.094 0.381 0.000 1.025 94 V CA -0.490 61.965 62.300 0.257 0.000 0.859 94 V CB 1.289 33.224 31.823 0.186 0.000 0.988 94 V HN 0.828 nan 8.190 nan 0.000 0.431 95 F N 1.252 121.292 119.950 0.150 0.000 2.686 95 F HA 0.793 5.321 4.527 0.001 0.000 0.311 95 F C -0.514 175.373 175.800 0.144 0.000 1.128 95 F CA -0.971 57.109 58.000 0.133 0.000 0.946 95 F CB 1.515 40.584 39.000 0.114 0.000 1.336 95 F HN 0.215 nan 8.300 nan 0.000 0.457 96 T N 1.950 116.611 114.554 0.178 0.000 2.767 96 T HA 0.699 5.050 4.350 0.001 0.000 0.284 96 T C -0.207 174.575 174.700 0.137 0.000 0.973 96 T CA -0.267 61.864 62.100 0.051 0.000 0.996 96 T CB 1.124 70.035 68.868 0.072 0.000 0.927 96 T HN 0.907 nan 8.240 nan 0.000 0.456 97 A N 3.368 126.166 122.820 -0.036 0.000 2.302 97 A HA 0.317 4.637 4.320 0.001 0.000 0.295 97 A C 1.422 179.020 177.584 0.024 0.000 1.235 97 A CA -0.590 51.391 52.037 -0.094 0.000 0.876 97 A CB 0.058 18.698 19.000 -0.599 0.000 1.133 97 A HN 0.827 nan 8.150 nan 0.000 0.533 98 N N 2.064 120.870 118.700 0.176 0.000 2.173 98 N HA -0.125 4.615 4.740 0.001 0.000 0.184 98 N C 0.170 175.727 175.510 0.077 0.000 1.025 98 N CA 1.436 54.555 53.050 0.116 0.000 0.852 98 N CB -0.067 38.503 38.487 0.138 0.000 0.998 98 N HN 0.826 nan 8.380 nan 0.000 0.427 99 D N 0.229 120.702 120.400 0.122 0.000 2.737 99 D HA -0.128 4.512 4.640 0.001 0.000 0.243 99 D C -1.189 175.148 176.300 0.061 0.000 1.109 99 D CA 0.666 54.716 54.000 0.083 0.000 0.702 99 D CB -1.433 39.379 40.800 0.021 0.000 1.068 99 D HN 0.384 nan 8.370 nan 0.000 0.432 100 S N 0.176 115.914 115.700 0.063 0.000 2.080 100 S HA 0.641 5.112 4.470 0.001 0.000 0.162 100 S C 0.432 175.051 174.600 0.033 0.000 1.618 100 S CA 0.367 58.592 58.200 0.041 0.000 1.200 100 S CB 1.300 64.522 63.200 0.037 0.000 1.135 100 S HN 1.182 nan 8.310 nan 0.000 0.455 101 G N 2.373 111.193 108.800 0.034 0.000 2.587 101 G HA2 0.077 4.038 3.960 0.001 0.000 0.686 101 G HA3 0.077 4.038 3.960 0.001 0.000 0.686 101 G C -3.373 171.544 174.900 0.029 0.000 1.236 101 G CA -1.244 43.871 45.100 0.025 0.000 0.820 101 G HN 0.427 nan 8.290 nan 0.000 0.645 102 P HA 0.295 nan 4.420 nan 0.000 0.257 102 P C -0.074 177.229 177.300 0.004 0.000 1.189 102 P CA 0.593 63.709 63.100 0.027 0.000 0.780 102 P CB 0.174 31.885 31.700 0.018 0.000 0.772 103 R N 3.415 123.926 120.500 0.019 0.000 2.538 103 R HA 0.459 4.799 4.340 0.001 0.000 0.292 103 R C -0.389 175.887 176.300 -0.042 0.000 1.008 103 R CA -0.929 55.127 56.100 -0.073 0.000 0.896 103 R CB 2.281 32.486 30.300 -0.159 0.000 1.187 103 R HN 0.272 nan 8.270 nan 0.000 0.440 104 R N 2.509 122.939 120.500 -0.117 0.000 2.460 104 R HA 0.344 4.685 4.340 0.001 0.000 0.303 104 R C -0.974 175.240 176.300 -0.144 0.000 0.968 104 R CA -0.715 55.371 56.100 -0.023 0.000 0.889 104 R CB 1.154 31.445 30.300 -0.015 0.000 1.123 104 R HN 0.510 nan 8.270 nan 0.000 0.455 105 Y N 0.230 120.523 120.300 -0.012 0.000 2.335 105 Y HA 0.306 4.856 4.550 0.001 0.000 0.338 105 Y C 0.445 176.269 175.900 -0.126 0.000 0.977 105 Y CA -0.408 57.652 58.100 -0.066 0.000 1.114 105 Y CB 2.051 40.480 38.460 -0.052 0.000 1.182 105 Y HN 0.320 nan 8.280 nan 0.000 0.463 106 T N 5.452 120.000 114.554 -0.010 0.000 2.791 106 T HA 0.484 4.835 4.350 0.001 0.000 0.288 106 T C -0.497 174.152 174.700 -0.086 0.000 0.999 106 T CA -0.516 61.547 62.100 -0.063 0.000 0.952 106 T CB 0.327 69.156 68.868 -0.066 0.000 0.938 106 T HN 0.269 nan 8.240 nan 0.000 0.444 107 I N 3.452 123.955 120.570 -0.111 0.000 2.330 107 I HA 0.585 4.756 4.170 0.001 0.000 0.289 107 I C 0.378 176.440 176.117 -0.092 0.000 1.001 107 I CA -0.868 60.360 61.300 -0.120 0.000 1.193 107 I CB 0.691 38.605 38.000 -0.143 0.000 1.345 107 I HN 0.637 nan 8.210 nan 0.000 0.461 108 A N 5.577 128.357 122.820 -0.067 0.000 2.337 108 A HA 0.925 5.246 4.320 0.001 0.000 0.329 108 A C -0.440 177.126 177.584 -0.029 0.000 1.146 108 A CA -0.551 51.454 52.037 -0.053 0.000 0.800 108 A CB 1.547 20.523 19.000 -0.040 0.000 1.220 108 A HN 0.792 nan 8.150 nan 0.000 0.472 109 A N 1.518 124.315 122.820 -0.037 0.000 2.359 109 A HA 0.632 4.952 4.320 0.001 0.000 0.303 109 A C -1.249 176.338 177.584 0.004 0.000 1.066 109 A CA -0.408 51.623 52.037 -0.010 0.000 0.730 109 A CB 0.958 19.914 19.000 -0.072 0.000 1.211 109 A HN 1.425 nan 8.150 nan 0.000 0.439 110 L N 3.834 125.099 121.223 0.071 0.000 2.280 110 L HA 0.632 4.972 4.340 0.001 0.000 0.287 110 L C -1.032 175.943 176.870 0.175 0.000 1.023 110 L CA -0.211 54.685 54.840 0.092 0.000 0.819 110 L CB 0.628 42.741 42.059 0.091 0.000 1.212 110 L HN 0.603 nan 8.230 nan 0.000 0.420 111 L N 4.380 125.721 121.223 0.195 0.000 2.309 111 L HA 0.678 5.019 4.340 0.001 0.000 0.282 111 L C 0.091 177.318 176.870 0.595 0.000 1.036 111 L CA -0.339 54.733 54.840 0.387 0.000 0.806 111 L CB 1.565 43.814 42.059 0.317 0.000 1.220 111 L HN 0.594 nan 8.230 nan 0.000 0.429 112 S N 1.835 117.848 115.700 0.523 0.000 2.599 112 S HA 0.437 4.907 4.470 0.001 0.000 0.287 112 S C -2.046 172.504 174.600 -0.083 0.000 1.105 112 S CA -0.937 57.405 58.200 0.235 0.000 0.899 112 S CB 2.468 65.757 63.200 0.149 0.000 1.100 112 S HN 0.349 nan 8.310 nan 0.000 0.482 113 P HA -0.071 nan 4.420 nan 0.000 0.216 113 P C 0.051 177.234 177.300 -0.195 0.000 1.153 113 P CA 1.448 64.107 63.100 -0.734 0.000 0.858 113 P CB 0.066 31.457 31.700 -0.515 0.000 0.789 114 Y N -2.043 118.215 120.300 -0.071 0.000 2.660 114 Y HA 0.475 5.025 4.550 0.001 0.000 0.254 114 Y C 0.613 176.591 175.900 0.129 0.000 1.176 114 Y CA -0.119 57.987 58.100 0.010 0.000 1.195 114 Y CB 0.555 38.931 38.460 -0.140 0.000 1.190 114 Y HN -0.175 nan 8.280 nan 0.000 0.535 115 S N 0.173 116.070 115.700 0.328 0.000 2.543 115 S HA 0.636 5.106 4.470 0.001 0.000 0.274 115 S C -1.916 172.838 174.600 0.258 0.000 1.149 115 S CA -0.524 57.816 58.200 0.234 0.000 0.866 115 S CB 0.747 64.012 63.200 0.108 0.000 1.111 115 S HN 0.195 nan 8.310 nan 0.000 0.457 116 Y N 0.189 120.529 120.300 0.066 0.000 2.581 116 Y HA 0.819 5.369 4.550 0.000 0.000 0.337 116 Y C -0.800 175.110 175.900 0.016 0.000 1.108 116 Y CA -0.767 57.357 58.100 0.040 0.000 1.033 116 Y CB 0.980 39.438 38.460 -0.003 0.000 1.318 116 Y HN 0.703 nan 8.280 nan 0.000 0.459 117 S N 0.968 116.808 115.700 0.234 0.000 2.542 117 S HA 0.816 5.286 4.470 0.001 0.000 0.293 117 S C -1.061 173.655 174.600 0.194 0.000 1.089 117 S CA -0.591 57.687 58.200 0.131 0.000 0.961 117 S CB 1.991 65.232 63.200 0.068 0.000 1.062 117 S HN 1.083 nan 8.310 nan 0.000 0.483 118 T N 1.341 115.984 114.554 0.148 0.000 2.886 118 T HA 0.726 5.076 4.350 0.001 0.000 0.292 118 T C -1.182 173.550 174.700 0.052 0.000 1.012 118 T CA -0.202 61.962 62.100 0.107 0.000 0.982 118 T CB 1.520 70.468 68.868 0.134 0.000 1.018 118 T HN 0.805 nan 8.240 nan 0.000 0.451 119 T N 2.823 117.387 114.554 0.018 0.000 2.900 119 T HA 0.799 5.149 4.350 0.001 0.000 0.295 119 T C -1.002 173.679 174.700 -0.031 0.000 1.044 119 T CA -0.700 61.399 62.100 -0.001 0.000 0.995 119 T CB 1.666 70.535 68.868 0.000 0.000 1.072 119 T HN 0.872 nan 8.240 nan 0.000 0.473 120 A N 1.768 124.564 122.820 -0.039 0.000 2.343 120 A HA 0.783 5.103 4.320 0.001 0.000 0.316 120 A C -0.875 176.676 177.584 -0.054 0.000 1.104 120 A CA -0.650 51.346 52.037 -0.067 0.000 0.768 120 A CB 1.027 19.972 19.000 -0.092 0.000 1.213 120 A HN 0.663 nan 8.150 nan 0.000 0.456 121 V N 3.220 123.096 119.914 -0.064 0.000 2.378 121 V HA 0.418 4.539 4.120 0.001 0.000 0.288 121 V C -0.490 175.542 176.094 -0.104 0.000 1.016 121 V CA -0.493 61.767 62.300 -0.066 0.000 0.840 121 V CB 1.375 33.166 31.823 -0.053 0.000 0.994 121 V HN 0.630 nan 8.190 nan 0.000 0.431 122 V N 4.865 124.698 119.914 -0.135 0.000 2.357 122 V HA 0.671 4.791 4.120 0.001 0.000 0.284 122 V C 0.413 176.401 176.094 -0.178 0.000 1.018 122 V CA -0.213 61.940 62.300 -0.246 0.000 0.841 122 V CB 1.533 33.161 31.823 -0.326 0.000 0.991 122 V HN 1.023 nan 8.190 nan 0.000 0.437 123 T N 0.000 114.455 114.554 -0.165 0.000 3.816 123 T HA 0.000 4.350 4.350 0.001 0.000 0.228 123 T CA 0.000 62.038 62.100 -0.103 0.000 1.349 123 T CB 0.000 68.828 68.868 -0.067 0.000 0.612 123 T HN 0.000 nan 8.240 nan 0.000 0.658