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 2idl_1_A DATA FIRST_RESID 0 DATA SEQUENCE AMIQAVFERA EDGELRSAEI TGHAESGEYG LDVVCASVST LAINFINSIE DATA SEQUENCE KFAGYEPILE LNEDEGGYLM VEIPKDLPSH QREMTQLFFE SFFLGMANLS DATA SEQUENCE ENYSEFVQTR VIT 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 0 A HA 0.000 nan 4.320 nan 0.000 0.244 0 A C 0.000 177.675 177.584 0.152 0.000 1.274 0 A CA 0.000 52.071 52.037 0.057 0.000 0.836 0 A CB 0.000 18.975 19.000 -0.042 0.000 0.831 1 M N 2.565 122.242 119.600 0.129 0.000 2.077 1 M HA 0.608 5.170 4.480 0.137 0.000 0.348 1 M C -0.973 175.399 176.300 0.119 0.000 1.252 1 M CA -0.173 55.208 55.300 0.135 0.000 1.096 1 M CB -0.334 32.326 32.600 0.100 0.000 1.568 1 M HN 0.467 nan 8.290 nan 0.000 0.456 2 I N 5.114 125.765 120.570 0.136 0.000 2.331 2 I HA 0.293 4.545 4.170 0.137 0.000 0.292 2 I C -0.176 176.005 176.117 0.106 0.000 0.998 2 I CA -0.408 60.969 61.300 0.128 0.000 1.267 2 I CB 1.157 39.237 38.000 0.134 0.000 1.386 2 I HN 0.578 nan 8.210 nan 0.000 0.476 3 Q N 5.260 125.116 119.800 0.093 0.000 2.340 3 Q HA 0.742 5.164 4.340 0.137 0.000 0.268 3 Q C -1.019 175.008 176.000 0.044 0.000 1.031 3 Q CA -0.822 55.024 55.803 0.071 0.000 0.804 3 Q CB 2.769 31.549 28.738 0.070 0.000 1.286 3 Q HN 0.768 nan 8.270 nan 0.000 0.448 4 A N 2.261 125.107 122.820 0.043 0.000 2.343 4 A HA 0.717 5.120 4.320 0.137 0.000 0.316 4 A C -0.944 176.672 177.584 0.052 0.000 1.104 4 A CA -0.538 51.502 52.037 0.004 0.000 0.768 4 A CB 1.261 20.299 19.000 0.062 0.000 1.213 4 A HN 0.457 nan 8.150 nan 0.000 0.456 5 V N 2.888 122.778 119.914 -0.040 0.000 2.443 5 V HA 0.447 4.650 4.120 0.137 0.000 0.293 5 V C -1.089 174.960 176.094 -0.075 0.000 1.021 5 V CA -0.234 62.083 62.300 0.028 0.000 0.848 5 V CB 0.994 32.827 31.823 0.016 0.000 0.998 5 V HN 0.766 nan 8.190 nan 0.000 0.424 6 F N 2.528 122.457 119.950 -0.034 0.000 2.443 6 F HA 0.489 5.097 4.527 0.135 0.000 0.335 6 F C 0.531 176.235 175.800 -0.160 0.000 1.104 6 F CA -0.361 57.568 58.000 -0.118 0.000 1.013 6 F CB 1.623 40.525 39.000 -0.164 0.000 1.136 6 F HN 0.482 nan 8.300 nan 0.000 0.470 7 E N 4.462 124.642 120.200 -0.033 0.000 2.156 7 E HA 0.400 4.833 4.350 0.137 0.000 0.279 7 E C -0.926 175.593 176.600 -0.135 0.000 0.965 7 E CA -0.688 55.675 56.400 -0.062 0.000 0.789 7 E CB 0.932 30.614 29.700 -0.029 0.000 1.098 7 E HN 0.638 nan 8.360 nan 0.000 0.397 8 R N 2.377 122.799 120.500 -0.131 0.000 2.562 8 R HA 0.502 4.924 4.340 0.137 0.000 0.298 8 R C -0.364 175.882 176.300 -0.091 0.000 0.961 8 R CA -0.601 55.408 56.100 -0.152 0.000 0.881 8 R CB 1.955 32.141 30.300 -0.189 0.000 1.159 8 R HN 0.614 nan 8.270 nan 0.000 0.450 9 A N 1.450 124.225 122.820 -0.075 0.000 2.310 9 A HA 0.026 4.428 4.320 0.137 0.000 0.260 9 A C 1.215 178.771 177.584 -0.047 0.000 1.112 9 A CA -0.032 51.978 52.037 -0.045 0.000 0.804 9 A CB 0.205 19.188 19.000 -0.028 0.000 1.081 9 A HN 0.978 nan 8.150 nan 0.000 0.499 10 E N -0.367 119.814 120.200 -0.032 0.000 2.204 10 E HA -0.241 4.192 4.350 0.137 0.000 0.195 10 E C 0.521 177.102 176.600 -0.033 0.000 0.990 10 E CA 1.542 57.924 56.400 -0.030 0.000 0.821 10 E CB -0.297 29.391 29.700 -0.020 0.000 0.750 10 E HN 0.701 nan 8.360 nan 0.000 0.477 11 D N -0.554 119.828 120.400 -0.031 0.000 2.340 11 D HA 0.091 4.813 4.640 0.137 0.000 0.220 11 D C 1.381 177.655 176.300 -0.044 0.000 1.039 11 D CA 0.646 54.627 54.000 -0.031 0.000 0.866 11 D CB 0.567 41.355 40.800 -0.020 0.000 0.913 11 D HN 0.394 nan 8.370 nan 0.000 0.523 12 G N -0.103 108.660 108.800 -0.061 0.000 2.213 12 G HA2 -0.257 3.785 3.960 0.137 0.000 0.226 12 G HA3 -0.257 3.785 3.960 0.137 0.000 0.226 12 G C -0.040 174.796 174.900 -0.105 0.000 0.992 12 G CA -0.157 44.889 45.100 -0.090 0.000 0.632 12 G HN 0.405 nan 8.290 nan 0.000 0.511 13 E N 0.568 120.724 120.200 -0.073 0.000 2.384 13 E HA 0.363 4.796 4.350 0.137 0.000 0.266 13 E C 0.531 177.057 176.600 -0.123 0.000 1.012 13 E CA -0.182 56.180 56.400 -0.064 0.000 0.901 13 E CB 0.862 30.556 29.700 -0.010 0.000 0.967 13 E HN 0.374 nan 8.360 nan 0.000 0.435 14 L N 4.067 125.172 121.223 -0.197 0.000 2.410 14 L HA 0.075 4.498 4.340 0.137 0.000 0.273 14 L C 1.672 178.388 176.870 -0.257 0.000 1.152 14 L CA 0.025 54.594 54.840 -0.451 0.000 0.855 14 L CB 0.457 41.945 42.059 -0.952 0.000 1.129 14 L HN 0.452 nan 8.230 nan 0.000 0.463 15 R N 0.987 121.379 120.500 -0.180 0.000 2.257 15 R HA 0.220 4.642 4.340 0.137 0.000 0.195 15 R C 0.083 176.550 176.300 0.279 0.000 0.921 15 R CA 0.417 56.577 56.100 0.101 0.000 1.069 15 R CB 0.896 31.226 30.300 0.050 0.000 1.115 15 R HN 0.763 nan 8.270 nan 0.000 0.571 16 S N -0.916 114.888 115.700 0.173 0.000 2.588 16 S HA 0.773 5.326 4.470 0.137 0.000 0.269 16 S C -1.549 173.149 174.600 0.162 0.000 1.157 16 S CA -0.690 57.698 58.200 0.313 0.000 0.824 16 S CB 2.342 65.634 63.200 0.154 0.000 1.126 16 S HN 0.154 nan 8.310 nan 0.000 0.464 17 A N 0.611 123.483 122.820 0.087 0.000 2.449 17 A HA 0.838 5.240 4.320 0.137 0.000 0.302 17 A C -0.922 176.503 177.584 -0.266 0.000 1.048 17 A CA -0.543 51.255 52.037 -0.398 0.000 0.708 17 A CB 1.685 20.120 19.000 -0.943 0.000 1.274 17 A HN 0.910 nan 8.150 nan 0.000 0.410 18 E N 2.100 122.113 120.200 -0.312 0.000 2.199 18 E HA 0.658 5.091 4.350 0.137 0.000 0.265 18 E C -1.615 174.824 176.600 -0.269 0.000 0.882 18 E CA -0.400 55.839 56.400 -0.267 0.000 0.759 18 E CB 1.130 30.746 29.700 -0.139 0.000 1.148 18 E HN 0.603 nan 8.360 nan 0.000 0.412 19 I N 3.413 123.803 120.570 -0.300 0.000 2.498 19 I HA 0.343 4.596 4.170 0.137 0.000 0.290 19 I C -0.359 175.728 176.117 -0.049 0.000 1.032 19 I CA -0.710 60.477 61.300 -0.187 0.000 1.073 19 I CB 2.215 40.044 38.000 -0.285 0.000 1.251 19 I HN 0.520 nan 8.210 nan 0.000 0.426 20 T N 0.441 115.055 114.554 0.100 0.000 2.893 20 T HA 0.703 5.135 4.350 0.137 0.000 0.291 20 T C 0.511 175.353 174.700 0.236 0.000 1.028 20 T CA -0.064 62.161 62.100 0.209 0.000 0.995 20 T CB 1.952 70.928 68.868 0.180 0.000 1.051 20 T HN 1.086 nan 8.240 nan 0.000 0.470 21 G N 1.575 110.478 108.800 0.172 0.000 2.176 21 G HA2 -0.255 3.788 3.960 0.137 0.000 0.232 21 G HA3 -0.255 3.788 3.960 0.137 0.000 0.232 21 G C 0.579 175.527 174.900 0.080 0.000 0.986 21 G CA 0.415 45.573 45.100 0.096 0.000 0.643 21 G HN 1.334 nan 8.290 nan 0.000 0.522 22 H N -0.177 118.907 119.070 0.023 0.000 2.529 22 H HA 0.686 5.324 4.556 0.138 0.000 0.277 22 H C 1.088 176.418 175.328 0.003 0.000 1.004 22 H CA 0.548 56.603 56.048 0.011 0.000 1.167 22 H CB -0.373 29.400 29.762 0.019 0.000 1.445 22 H HN 0.843 nan 8.280 nan 0.000 0.554 23 A N 1.566 124.204 122.820 -0.303 0.000 2.407 23 A HA 0.077 4.479 4.320 0.137 0.000 0.248 23 A C 0.376 177.904 177.584 -0.094 0.000 1.082 23 A CA -0.418 51.492 52.037 -0.212 0.000 0.785 23 A CB 0.299 19.181 19.000 -0.197 0.000 1.020 23 A HN 0.557 nan 8.150 nan 0.000 0.489 24 E N 1.242 121.403 120.200 -0.065 0.000 2.351 24 E HA 0.303 4.735 4.350 0.137 0.000 0.266 24 E C -0.324 176.246 176.600 -0.050 0.000 1.031 24 E CA 0.232 56.605 56.400 -0.046 0.000 0.911 24 E CB 0.353 30.034 29.700 -0.031 0.000 0.986 24 E HN 0.542 nan 8.360 nan 0.000 0.446 25 S N 1.787 117.456 115.700 -0.052 0.000 2.627 25 S HA 0.873 5.425 4.470 0.137 0.000 0.283 25 S C -0.687 173.874 174.600 -0.065 0.000 1.127 25 S CA 0.202 58.371 58.200 -0.050 0.000 0.863 25 S CB 1.810 64.980 63.200 -0.049 0.000 1.121 25 S HN 0.912 nan 8.310 nan 0.000 0.479 26 G N 1.664 110.425 108.800 -0.065 0.000 2.440 26 G HA2 0.069 4.111 3.960 0.137 0.000 0.684 26 G HA3 0.069 4.111 3.960 0.137 0.000 0.684 26 G C -0.586 174.294 174.900 -0.033 0.000 1.309 26 G CA 0.196 45.277 45.100 -0.033 0.000 0.931 26 G HN 0.823 nan 8.290 nan 0.000 0.612 27 E N -1.687 118.595 120.200 0.137 0.000 2.538 27 E HA 0.448 4.881 4.350 0.137 0.000 0.207 27 E C 0.383 177.050 176.600 0.113 0.000 1.002 27 E CA 0.292 56.760 56.400 0.112 0.000 0.952 27 E CB 0.413 30.172 29.700 0.098 0.000 1.031 27 E HN 1.238 nan 8.360 nan 0.000 0.476 28 Y N -0.804 119.444 120.300 -0.086 0.000 3.321 28 Y HA 0.360 4.993 4.550 0.137 0.000 0.234 28 Y C 0.842 176.681 175.900 -0.102 0.000 0.930 28 Y CA 0.210 58.264 58.100 -0.075 0.000 1.217 28 Y CB 0.496 38.916 38.460 -0.067 0.000 1.278 28 Y HN 0.151 nan 8.280 nan 0.000 0.689 29 G N 0.745 109.495 108.800 -0.084 0.000 2.527 29 G HA2 -0.347 3.695 3.960 0.137 0.000 0.218 29 G HA3 -0.347 3.695 3.960 0.137 0.000 0.218 29 G C 0.910 175.657 174.900 -0.254 0.000 1.177 29 G CA 0.448 45.455 45.100 -0.155 0.000 0.695 29 G HN 0.347 nan 8.290 nan 0.000 0.517 30 L N 0.691 121.780 121.223 -0.225 0.000 2.109 30 L HA 0.116 4.539 4.340 0.137 0.000 0.207 30 L C 2.270 179.005 176.870 -0.225 0.000 1.086 30 L CA 1.504 56.138 54.840 -0.345 0.000 0.760 30 L CB -0.475 41.435 42.059 -0.249 0.000 0.910 30 L HN 0.130 nan 8.230 nan 0.000 0.437 31 D N 0.011 120.339 120.400 -0.121 0.000 2.263 31 D HA -0.118 4.605 4.640 0.137 0.000 0.208 31 D C 2.305 178.551 176.300 -0.090 0.000 0.971 31 D CA 0.792 54.744 54.000 -0.080 0.000 0.867 31 D CB 0.040 40.818 40.800 -0.037 0.000 0.929 31 D HN 0.073 nan 8.370 nan 0.000 0.492 32 V N 0.264 120.102 119.914 -0.127 0.000 2.358 32 V HA -0.190 4.012 4.120 0.137 0.000 0.246 32 V C 2.540 178.534 176.094 -0.167 0.000 1.047 32 V CA 0.976 63.204 62.300 -0.120 0.000 1.035 32 V CB -0.282 31.472 31.823 -0.116 0.000 0.658 32 V HN 0.080 nan 8.190 nan 0.000 0.452 33 V N -1.156 118.573 119.914 -0.309 0.000 2.358 33 V HA -0.253 3.949 4.120 0.137 0.000 0.246 33 V C 2.513 178.539 176.094 -0.113 0.000 1.047 33 V CA 2.040 64.134 62.300 -0.344 0.000 1.035 33 V CB -0.826 30.690 31.823 -0.512 0.000 0.658 33 V HN 0.621 nan 8.190 nan 0.000 0.452 34 C N 0.572 119.822 119.300 -0.082 0.000 2.429 34 C HA -0.074 4.468 4.460 0.137 0.000 0.277 34 C C 3.117 178.128 174.990 0.035 0.000 1.262 34 C CA 0.823 59.849 59.018 0.013 0.000 1.733 34 C CB -1.357 26.389 27.740 0.009 0.000 2.010 34 C HN 0.625 nan 8.230 nan 0.000 0.483 35 A N 0.324 123.146 122.820 0.002 0.000 1.930 35 A HA -0.118 4.285 4.320 0.137 0.000 0.217 35 A C 2.253 179.856 177.584 0.031 0.000 1.175 35 A CA 2.105 54.152 52.037 0.017 0.000 0.627 35 A CB -0.657 18.344 19.000 0.002 0.000 0.815 35 A HN 0.551 nan 8.150 nan 0.000 0.443 36 S N -0.361 115.360 115.700 0.035 0.000 2.356 36 S HA -0.126 4.427 4.470 0.137 0.000 0.223 36 S C 1.907 176.558 174.600 0.084 0.000 1.032 36 S CA 1.436 59.680 58.200 0.072 0.000 1.005 36 S CB -0.462 62.808 63.200 0.118 0.000 0.867 36 S HN 0.343 nan 8.310 nan 0.000 0.449 37 V N 1.806 121.768 119.914 0.081 0.000 2.295 37 V HA -0.160 4.043 4.120 0.137 0.000 0.246 37 V C 2.431 178.555 176.094 0.050 0.000 1.049 37 V CA 1.956 64.307 62.300 0.085 0.000 1.024 37 V CB -0.948 30.913 31.823 0.064 0.000 0.648 37 V HN 0.432 nan 8.190 nan 0.000 0.447 38 S N -0.398 115.327 115.700 0.042 0.000 2.382 38 S HA -0.212 4.340 4.470 0.137 0.000 0.228 38 S C 2.058 176.657 174.600 -0.001 0.000 1.027 38 S CA 1.921 60.139 58.200 0.029 0.000 0.991 38 S CB -0.456 62.794 63.200 0.083 0.000 0.823 38 S HN 0.681 nan 8.310 nan 0.000 0.469 39 T N 2.930 117.492 114.554 0.013 0.000 2.708 39 T HA 0.022 4.454 4.350 0.137 0.000 0.266 39 T C 1.752 176.434 174.700 -0.029 0.000 1.037 39 T CA 0.985 63.083 62.100 -0.004 0.000 1.146 39 T CB -0.447 68.431 68.868 0.017 0.000 0.865 39 T HN 0.251 nan 8.240 nan 0.000 0.435 40 L N 0.635 121.862 121.223 0.006 0.000 2.017 40 L HA -0.127 4.296 4.340 0.137 0.000 0.208 40 L C 3.054 179.727 176.870 -0.330 0.000 1.073 40 L CA 1.390 56.221 54.840 -0.015 0.000 0.745 40 L CB -0.700 41.485 42.059 0.210 0.000 0.894 40 L HN 0.251 nan 8.230 nan 0.000 0.432 41 A N 0.153 122.806 122.820 -0.277 0.000 1.877 41 A HA -0.173 4.230 4.320 0.137 0.000 0.216 41 A C 2.135 179.529 177.584 -0.316 0.000 1.186 41 A CA 1.425 53.182 52.037 -0.467 0.000 0.620 41 A CB -0.493 18.438 19.000 -0.115 0.000 0.822 41 A HN 0.274 nan 8.150 nan 0.000 0.443 42 I N 0.420 120.882 120.570 -0.180 0.000 2.315 42 I HA -0.165 4.087 4.170 0.137 0.000 0.248 42 I C 2.153 178.158 176.117 -0.186 0.000 1.117 42 I CA 1.754 62.965 61.300 -0.149 0.000 1.404 42 I CB -1.710 36.235 38.000 -0.092 0.000 1.071 42 I HN 0.431 nan 8.210 nan 0.000 0.419 43 N N 1.060 119.657 118.700 -0.173 0.000 2.188 43 N HA -0.231 4.591 4.740 0.137 0.000 0.184 43 N C 1.844 177.209 175.510 -0.240 0.000 1.018 43 N CA 0.955 53.903 53.050 -0.171 0.000 0.858 43 N CB -0.321 38.106 38.487 -0.099 0.000 0.989 43 N HN 0.195 nan 8.380 nan 0.000 0.426 44 F N 1.101 120.783 119.950 -0.447 0.000 2.069 44 F HA -0.095 4.518 4.527 0.143 0.000 0.298 44 F C 1.890 177.427 175.800 -0.438 0.000 1.113 44 F CA 1.465 59.164 58.000 -0.502 0.000 1.214 44 F CB -0.616 37.877 39.000 -0.846 0.000 0.978 44 F HN 0.062 nan 8.300 nan 0.000 0.474 45 I N 0.565 120.805 120.570 -0.551 0.000 2.163 45 I HA -0.370 3.883 4.170 0.137 0.000 0.243 45 I C 2.132 177.934 176.117 -0.526 0.000 1.085 45 I CA 1.554 62.513 61.300 -0.569 0.000 1.347 45 I CB -0.698 37.125 38.000 -0.294 0.000 1.044 45 I HN 0.204 nan 8.210 nan 0.000 0.408 46 N N 0.363 118.819 118.700 -0.407 0.000 2.166 46 N HA -0.123 4.699 4.740 0.137 0.000 0.186 46 N C 2.018 177.233 175.510 -0.492 0.000 1.019 46 N CA 1.307 54.130 53.050 -0.380 0.000 0.856 46 N CB -0.308 38.012 38.487 -0.279 0.000 0.993 46 N HN 0.221 nan 8.380 nan 0.000 0.426 47 S N 1.037 116.411 115.700 -0.544 0.000 2.368 47 S HA 0.044 4.596 4.470 0.137 0.000 0.225 47 S C 2.080 176.294 174.600 -0.642 0.000 1.030 47 S CA 0.492 58.312 58.200 -0.635 0.000 0.999 47 S CB -0.079 62.556 63.200 -0.941 0.000 0.844 47 S HN 0.263 nan 8.310 nan 0.000 0.459 48 I N 1.569 121.713 120.570 -0.710 0.000 2.179 48 I HA -0.210 4.042 4.170 0.137 0.000 0.242 48 I C 2.532 178.315 176.117 -0.556 0.000 1.088 48 I CA 1.348 62.297 61.300 -0.586 0.000 1.357 48 I CB -0.403 37.096 38.000 -0.836 0.000 1.051 48 I HN 0.343 nan 8.210 nan 0.000 0.409 49 E N 0.562 120.429 120.200 -0.556 0.000 2.077 49 E HA -0.279 4.154 4.350 0.137 0.000 0.193 49 E C 2.139 178.510 176.600 -0.381 0.000 0.989 49 E CA 1.235 57.371 56.400 -0.440 0.000 0.800 49 E CB -0.056 29.426 29.700 -0.364 0.000 0.746 49 E HN 0.390 nan 8.360 nan 0.000 0.452 50 K N -0.008 120.082 120.400 -0.518 0.000 2.044 50 K HA -0.069 4.333 4.320 0.137 0.000 0.204 50 K C 1.671 177.963 176.600 -0.514 0.000 1.049 50 K CA 1.002 56.908 56.287 -0.635 0.000 0.945 50 K CB 0.088 31.946 32.500 -1.070 0.000 0.724 50 K HN -0.019 nan 8.250 nan 0.000 0.440 51 F N -0.129 119.777 119.950 -0.074 0.000 2.374 51 F HA 0.273 4.839 4.527 0.066 0.000 0.291 51 F C 2.134 177.984 175.800 0.083 0.000 1.084 51 F CA 0.505 58.537 58.000 0.054 0.000 1.413 51 F CB -0.345 38.772 39.000 0.195 0.000 1.099 51 F HN 0.051 nan 8.300 nan 0.000 0.534 52 A N -0.377 122.552 122.820 0.181 0.000 2.081 52 A HA 0.445 4.847 4.320 0.137 0.000 0.214 52 A C 2.012 179.653 177.584 0.096 0.000 1.158 52 A CA 0.886 53.010 52.037 0.145 0.000 0.724 52 A CB -0.985 18.114 19.000 0.164 0.000 0.826 52 A HN 0.596 nan 8.150 nan 0.000 0.463 53 G N -1.922 106.866 108.800 -0.020 0.000 2.136 53 G HA2 -0.270 3.772 3.960 0.137 0.000 0.242 53 G HA3 -0.270 3.772 3.960 0.137 0.000 0.242 53 G C -0.006 174.941 174.900 0.078 0.000 0.989 53 G CA 0.753 45.864 45.100 0.018 0.000 0.682 53 G HN 1.616 nan 8.290 nan 0.000 0.522 54 Y N -1.670 118.595 120.300 -0.057 0.000 2.638 54 Y HA 0.821 5.447 4.550 0.128 0.000 0.339 54 Y C -0.305 175.548 175.900 -0.077 0.000 1.084 54 Y CA -1.833 56.236 58.100 -0.052 0.000 1.068 54 Y CB 0.978 39.416 38.460 -0.037 0.000 1.294 54 Y HN 0.091 nan 8.280 nan 0.000 0.480 55 E N 4.043 124.255 120.200 0.020 0.000 2.174 55 E HA 0.331 4.764 4.350 0.137 0.000 0.282 55 E C -2.542 174.099 176.600 0.069 0.000 0.992 55 E CA -2.232 54.121 56.400 -0.079 0.000 0.803 55 E CB 1.161 30.850 29.700 -0.018 0.000 1.090 55 E HN 0.418 nan 8.360 nan 0.000 0.396 56 P HA 0.098 nan 4.420 nan 0.000 0.274 56 P C -0.315 177.032 177.300 0.079 0.000 1.237 56 P CA -0.427 62.732 63.100 0.099 0.000 0.793 56 P CB 0.766 32.451 31.700 -0.025 0.000 0.977 57 I N 2.010 122.650 120.570 0.117 0.000 2.517 57 I HA 0.154 4.407 4.170 0.137 0.000 0.285 57 I C 0.671 176.838 176.117 0.083 0.000 1.106 57 I CA 0.172 61.527 61.300 0.091 0.000 1.402 57 I CB -0.994 37.066 38.000 0.099 0.000 1.399 57 I HN 0.218 nan 8.210 nan 0.000 0.535 58 L N 6.083 127.344 121.223 0.063 0.000 2.381 58 L HA 0.540 4.962 4.340 0.137 0.000 0.268 58 L C -0.082 176.837 176.870 0.082 0.000 0.997 58 L CA -0.607 54.271 54.840 0.062 0.000 0.818 58 L CB 2.566 44.642 42.059 0.030 0.000 1.310 58 L HN 0.571 nan 8.230 nan 0.000 0.416 59 E N 3.524 123.793 120.200 0.113 0.000 2.224 59 E HA 0.614 5.046 4.350 0.137 0.000 0.265 59 E C -1.822 174.892 176.600 0.190 0.000 0.878 59 E CA -0.558 55.940 56.400 0.163 0.000 0.759 59 E CB 1.781 31.629 29.700 0.246 0.000 1.164 59 E HN 0.492 nan 8.360 nan 0.000 0.414 60 L N 4.075 125.395 121.223 0.162 0.000 2.362 60 L HA 0.527 4.950 4.340 0.137 0.000 0.275 60 L C -0.527 176.442 176.870 0.164 0.000 0.998 60 L CA -0.961 53.975 54.840 0.161 0.000 0.820 60 L CB 1.898 44.013 42.059 0.093 0.000 1.270 60 L HN 0.468 nan 8.230 nan 0.000 0.415 61 N N 1.960 120.781 118.700 0.200 0.000 2.480 61 N HA 0.162 4.985 4.740 0.137 0.000 0.289 61 N C 0.198 175.752 175.510 0.075 0.000 1.073 61 N CA -0.320 52.801 53.050 0.118 0.000 0.885 61 N CB 2.096 40.642 38.487 0.098 0.000 1.421 61 N HN 0.564 nan 8.380 nan 0.000 0.503 62 E N 0.684 120.899 120.200 0.026 0.000 2.347 62 E HA -0.026 4.407 4.350 0.137 0.000 0.196 62 E C -0.356 176.227 176.600 -0.029 0.000 1.008 62 E CA 0.619 57.008 56.400 -0.017 0.000 0.852 62 E CB 0.250 29.940 29.700 -0.017 0.000 0.783 62 E HN 0.608 nan 8.360 nan 0.000 0.505 63 D N 1.810 122.204 120.400 -0.010 0.000 2.361 63 D HA -0.059 4.663 4.640 0.137 0.000 0.239 63 D C 0.493 176.783 176.300 -0.016 0.000 1.200 63 D CA 0.132 54.123 54.000 -0.016 0.000 0.915 63 D CB 0.312 41.105 40.800 -0.013 0.000 1.170 63 D HN 0.112 nan 8.370 nan 0.000 0.444 64 E N -0.277 119.912 120.200 -0.018 0.000 2.103 64 E HA -0.281 4.152 4.350 0.137 0.000 0.186 64 E C 0.729 177.324 176.600 -0.009 0.000 1.392 64 E CA 0.567 56.959 56.400 -0.013 0.000 0.691 64 E CB -2.116 27.580 29.700 -0.008 0.000 1.068 64 E HN 0.844 nan 8.360 nan 0.000 0.328 65 G N -0.259 108.522 108.800 -0.031 0.000 2.241 65 G HA2 -0.048 3.994 3.960 0.137 0.000 0.244 65 G HA3 -0.048 3.994 3.960 0.137 0.000 0.244 65 G C 0.766 175.604 174.900 -0.103 0.000 0.998 65 G CA 0.524 45.599 45.100 -0.042 0.000 0.621 65 G HN 1.960 nan 8.290 nan 0.000 0.519 66 G N -1.326 107.420 108.800 -0.090 0.000 2.719 66 G HA2 0.367 4.409 3.960 0.137 0.000 0.686 66 G HA3 0.367 4.409 3.960 0.137 0.000 0.686 66 G C -0.796 174.118 174.900 0.024 0.000 1.201 66 G CA 0.121 45.114 45.100 -0.178 0.000 0.768 66 G HN 1.963 nan 8.290 nan 0.000 0.629 67 Y N 1.534 121.835 120.300 0.002 0.000 2.441 67 Y HA 0.725 5.358 4.550 0.138 0.000 0.334 67 Y C -0.892 175.123 175.900 0.192 0.000 1.061 67 Y CA -1.081 57.098 58.100 0.131 0.000 1.032 67 Y CB 1.760 40.257 38.460 0.061 0.000 1.266 67 Y HN 1.104 nan 8.280 nan 0.000 0.441 68 L N 8.194 129.199 121.223 -0.363 0.000 2.436 68 L HA 0.668 5.090 4.340 0.137 0.000 0.268 68 L C -2.012 174.556 176.870 -0.502 0.000 0.974 68 L CA -0.699 53.993 54.840 -0.247 0.000 0.826 68 L CB 1.773 43.800 42.059 -0.053 0.000 1.291 68 L HN 0.789 nan 8.230 nan 0.000 0.406 69 M N 6.295 125.740 119.600 -0.260 0.000 2.204 69 M HA 0.442 5.004 4.480 0.137 0.000 0.293 69 M C -2.248 174.067 176.300 0.026 0.000 0.994 69 M CA -0.490 54.736 55.300 -0.122 0.000 0.925 69 M CB 1.760 34.374 32.600 0.024 0.000 1.577 69 M HN 0.470 nan 8.290 nan 0.000 0.439 70 V N 5.500 125.454 119.914 0.067 0.000 2.540 70 V HA 0.683 4.886 4.120 0.137 0.000 0.302 70 V C -1.248 174.974 176.094 0.212 0.000 1.035 70 V CA -0.187 62.199 62.300 0.142 0.000 0.873 70 V CB 2.060 34.002 31.823 0.198 0.000 0.992 70 V HN 1.008 nan 8.190 nan 0.000 0.428 71 E N 5.518 125.843 120.200 0.208 0.000 2.314 71 E HA 0.520 4.953 4.350 0.137 0.000 0.272 71 E C -1.419 175.336 176.600 0.259 0.000 0.884 71 E CA -0.832 55.714 56.400 0.242 0.000 0.753 71 E CB 1.805 31.606 29.700 0.168 0.000 1.213 71 E HN 0.636 nan 8.360 nan 0.000 0.432 72 I N 4.168 124.926 120.570 0.313 0.000 2.428 72 I HA 0.293 4.545 4.170 0.137 0.000 0.289 72 I C -2.033 174.176 176.117 0.154 0.000 1.019 72 I CA -2.618 58.855 61.300 0.289 0.000 1.351 72 I CB 0.347 38.558 38.000 0.351 0.000 1.412 72 I HN 0.467 nan 8.210 nan 0.000 0.513 73 P HA 0.098 nan 4.420 nan 0.000 0.266 73 P C 0.418 177.707 177.300 -0.019 0.000 1.195 73 P CA -0.040 63.060 63.100 -0.001 0.000 0.768 73 P CB 0.676 32.320 31.700 -0.093 0.000 0.838 74 K N 0.981 121.382 120.400 0.001 0.000 2.097 74 K HA -0.108 4.294 4.320 0.137 0.000 0.205 74 K C 0.788 177.379 176.600 -0.014 0.000 1.050 74 K CA 1.274 57.564 56.287 0.006 0.000 0.938 74 K CB -0.106 32.403 32.500 0.014 0.000 0.718 74 K HN 0.407 nan 8.250 nan 0.000 0.442 75 D N 0.764 121.145 120.400 -0.032 0.000 2.894 75 D HA 0.132 4.855 4.640 0.137 0.000 0.248 75 D C -0.768 175.500 176.300 -0.054 0.000 1.291 75 D CA -0.065 53.917 54.000 -0.030 0.000 0.840 75 D CB -0.039 40.753 40.800 -0.014 0.000 1.044 75 D HN 0.017 nan 8.370 nan 0.000 0.484 76 L N 2.204 123.374 121.223 -0.089 0.000 2.455 76 L HA 0.177 4.599 4.340 0.137 0.000 0.272 76 L C -1.601 175.237 176.870 -0.053 0.000 1.174 76 L CA -1.205 53.550 54.840 -0.141 0.000 0.869 76 L CB 0.431 42.363 42.059 -0.211 0.000 1.130 76 L HN -0.003 nan 8.230 nan 0.000 0.474 77 P HA 0.042 nan 4.420 nan 0.000 0.272 77 P C 0.451 177.824 177.300 0.122 0.000 1.230 77 P CA -0.402 62.758 63.100 0.101 0.000 0.788 77 P CB 0.789 32.636 31.700 0.245 0.000 0.949 78 S N 1.480 117.278 115.700 0.164 0.000 2.370 78 S HA -0.278 4.275 4.470 0.137 0.000 0.226 78 S C 1.862 176.553 174.600 0.152 0.000 1.033 78 S CA 1.713 59.986 58.200 0.122 0.000 1.011 78 S CB -1.914 61.343 63.200 0.094 0.000 0.852 78 S HN 0.755 nan 8.310 nan 0.000 0.457 79 H N 1.315 120.404 119.070 0.032 0.000 2.319 79 H HA -0.058 4.564 4.556 0.110 0.000 0.299 79 H C 2.203 177.574 175.328 0.073 0.000 1.092 79 H CA 1.453 57.528 56.048 0.046 0.000 1.302 79 H CB -0.555 29.235 29.762 0.047 0.000 1.373 79 H HN 0.433 nan 8.280 nan 0.000 0.497 80 Q N 0.183 119.727 119.800 -0.427 0.000 2.172 80 Q HA -0.049 4.373 4.340 0.137 0.000 0.200 80 Q C 2.488 178.488 176.000 -0.001 0.000 0.964 80 Q CA 0.693 56.362 55.803 -0.223 0.000 0.855 80 Q CB 0.022 28.580 28.738 -0.300 0.000 0.918 80 Q HN 0.480 nan 8.270 nan 0.000 0.444 81 R N 1.146 121.642 120.500 -0.007 0.000 2.070 81 R HA -0.186 4.237 4.340 0.137 0.000 0.233 81 R C 2.057 178.406 176.300 0.081 0.000 1.137 81 R CA 1.642 57.771 56.100 0.047 0.000 0.945 81 R CB 0.031 30.351 30.300 0.033 0.000 0.845 81 R HN 0.215 nan 8.270 nan 0.000 0.430 82 E N 0.103 120.336 120.200 0.054 0.000 2.077 82 E HA -0.244 4.188 4.350 0.137 0.000 0.193 82 E C 2.044 178.653 176.600 0.014 0.000 0.989 82 E CA 1.505 57.928 56.400 0.038 0.000 0.800 82 E CB -0.065 29.650 29.700 0.026 0.000 0.746 82 E HN 0.316 nan 8.360 nan 0.000 0.452 83 M N 0.014 119.617 119.600 0.004 0.000 2.117 83 M HA -0.162 4.401 4.480 0.137 0.000 0.262 83 M C 2.020 178.298 176.300 -0.037 0.000 1.065 83 M CA 1.733 56.978 55.300 -0.093 0.000 1.114 83 M CB -0.091 32.500 32.600 -0.015 0.000 1.361 83 M HN 0.096 nan 8.290 nan 0.000 0.408 84 T N 0.714 115.384 114.554 0.194 0.000 2.720 84 T HA -0.190 4.243 4.350 0.137 0.000 0.268 84 T C 1.771 176.726 174.700 0.426 0.000 1.037 84 T CA 1.374 63.703 62.100 0.382 0.000 1.144 84 T CB -0.254 68.866 68.868 0.420 0.000 0.864 84 T HN 0.456 nan 8.240 nan 0.000 0.444 85 Q N 0.493 120.460 119.800 0.278 0.000 2.124 85 Q HA 0.073 4.495 4.340 0.137 0.000 0.202 85 Q C 2.489 178.621 176.000 0.221 0.000 0.977 85 Q CA 1.018 56.980 55.803 0.264 0.000 0.850 85 Q CB -0.623 28.196 28.738 0.136 0.000 0.901 85 Q HN 0.497 nan 8.270 nan 0.000 0.429 86 L N -0.545 120.722 121.223 0.073 0.000 2.017 86 L HA -0.174 4.248 4.340 0.137 0.000 0.208 86 L C 2.218 179.178 176.870 0.150 0.000 1.073 86 L CA 0.975 55.815 54.840 0.001 0.000 0.745 86 L CB -0.421 41.516 42.059 -0.203 0.000 0.894 86 L HN 0.110 nan 8.230 nan 0.000 0.432 87 F N -1.220 118.908 119.950 0.296 0.000 2.134 87 F HA -0.244 4.347 4.527 0.107 0.000 0.299 87 F C 2.328 178.463 175.800 0.559 0.000 1.097 87 F CA 1.097 59.334 58.000 0.395 0.000 1.264 87 F CB -0.927 38.295 39.000 0.370 0.000 1.001 87 F HN -0.025 nan 8.300 nan 0.000 0.479 88 F N 1.143 121.470 119.950 0.628 0.000 2.146 88 F HA -0.112 4.498 4.527 0.138 0.000 0.298 88 F C 2.380 178.302 175.800 0.203 0.000 1.096 88 F CA 1.208 59.412 58.000 0.341 0.000 1.275 88 F CB -0.622 38.573 39.000 0.325 0.000 1.008 88 F HN -0.067 nan 8.300 nan 0.000 0.480 89 E N -0.727 119.694 120.200 0.370 0.000 2.085 89 E HA -0.207 4.226 4.350 0.137 0.000 0.194 89 E C 2.447 179.185 176.600 0.231 0.000 0.994 89 E CA 1.316 57.833 56.400 0.195 0.000 0.801 89 E CB -0.811 28.958 29.700 0.115 0.000 0.743 89 E HN 0.281 nan 8.360 nan 0.000 0.453 90 S N 0.233 116.103 115.700 0.283 0.000 2.368 90 S HA -0.147 4.405 4.470 0.137 0.000 0.225 90 S C 1.729 176.514 174.600 0.308 0.000 1.030 90 S CA 0.784 59.143 58.200 0.264 0.000 0.999 90 S CB -0.304 63.075 63.200 0.299 0.000 0.844 90 S HN 0.248 nan 8.310 nan 0.000 0.459 91 F N 1.732 121.796 119.950 0.189 0.000 2.095 91 F HA -0.059 4.551 4.527 0.138 0.000 0.298 91 F C 1.802 177.648 175.800 0.076 0.000 1.104 91 F CA 1.310 59.395 58.000 0.143 0.000 1.232 91 F CB -1.404 37.604 39.000 0.012 0.000 0.987 91 F HN 0.378 nan 8.300 nan 0.000 0.475 92 F N 0.400 120.193 119.950 -0.260 0.000 2.102 92 F HA -0.172 4.436 4.527 0.135 0.000 0.298 92 F C 2.208 177.769 175.800 -0.398 0.000 1.105 92 F CA 1.690 59.175 58.000 -0.859 0.000 1.239 92 F CB -0.911 37.513 39.000 -0.960 0.000 0.991 92 F HN 0.052 nan 8.300 nan 0.000 0.474 93 L N 0.869 121.986 121.223 -0.176 0.000 2.013 93 L HA -0.074 4.349 4.340 0.137 0.000 0.212 93 L C 2.510 179.270 176.870 -0.184 0.000 1.073 93 L CA 2.369 57.103 54.840 -0.176 0.000 0.753 93 L CB -1.619 40.440 42.059 0.001 0.000 0.890 93 L HN 0.245 nan 8.230 nan 0.000 0.432 94 G N -0.860 107.911 108.800 -0.049 0.000 2.446 94 G HA2 -0.293 3.750 3.960 0.137 0.000 0.217 94 G HA3 -0.293 3.750 3.960 0.137 0.000 0.217 94 G C 1.482 176.361 174.900 -0.035 0.000 1.168 94 G CA 1.181 46.290 45.100 0.014 0.000 0.771 94 G HN 0.341 nan 8.290 nan 0.000 0.551 95 M N 1.047 120.590 119.600 -0.095 0.000 2.132 95 M HA 0.082 4.644 4.480 0.137 0.000 0.263 95 M C 3.043 179.203 176.300 -0.235 0.000 1.065 95 M CA 1.234 56.471 55.300 -0.105 0.000 1.122 95 M CB -1.276 31.284 32.600 -0.066 0.000 1.365 95 M HN 0.326 nan 8.290 nan 0.000 0.411 96 A N 0.875 123.389 122.820 -0.509 0.000 1.902 96 A HA -0.186 4.217 4.320 0.137 0.000 0.217 96 A C 2.016 179.462 177.584 -0.230 0.000 1.181 96 A CA 1.854 53.607 52.037 -0.473 0.000 0.623 96 A CB -0.744 17.825 19.000 -0.719 0.000 0.818 96 A HN 0.478 nan 8.150 nan 0.000 0.443 97 N N 0.029 118.620 118.700 -0.182 0.000 2.188 97 N HA -0.042 4.780 4.740 0.137 0.000 0.184 97 N C 1.644 177.110 175.510 -0.073 0.000 1.018 97 N CA 1.067 54.053 53.050 -0.107 0.000 0.858 97 N CB -0.478 37.961 38.487 -0.080 0.000 0.989 97 N HN 0.501 nan 8.380 nan 0.000 0.426 98 L N 0.964 122.170 121.223 -0.028 0.000 2.083 98 L HA -0.162 4.261 4.340 0.137 0.000 0.209 98 L C 2.312 179.229 176.870 0.078 0.000 1.083 98 L CA 1.303 56.182 54.840 0.065 0.000 0.752 98 L CB -0.522 41.631 42.059 0.156 0.000 0.899 98 L HN 0.247 nan 8.230 nan 0.000 0.433 99 S N -1.351 114.360 115.700 0.020 0.000 2.447 99 S HA -0.117 4.435 4.470 0.137 0.000 0.233 99 S C 1.721 176.319 174.600 -0.003 0.000 1.006 99 S CA 0.621 58.837 58.200 0.026 0.000 0.957 99 S CB -0.160 63.033 63.200 -0.012 0.000 0.773 99 S HN 0.378 nan 8.310 nan 0.000 0.507 100 E N 2.202 122.376 120.200 -0.044 0.000 2.033 100 E HA 0.026 4.458 4.350 0.137 0.000 0.189 100 E C 1.761 178.315 176.600 -0.078 0.000 0.979 100 E CA 0.980 57.345 56.400 -0.058 0.000 0.802 100 E CB -0.664 28.994 29.700 -0.070 0.000 0.763 100 E HN 0.567 nan 8.360 nan 0.000 0.449 101 N N -0.209 118.408 118.700 -0.138 0.000 2.244 101 N HA -0.125 4.698 4.740 0.137 0.000 0.183 101 N C 0.199 175.513 175.510 -0.328 0.000 1.016 101 N CA 0.851 53.730 53.050 -0.285 0.000 0.866 101 N CB -0.015 38.205 38.487 -0.445 0.000 0.980 101 N HN 0.130 nan 8.380 nan 0.000 0.430 102 Y N -0.532 119.802 120.300 0.057 0.000 2.617 102 Y HA 0.277 4.909 4.550 0.136 0.000 0.328 102 Y C 1.172 177.095 175.900 0.038 0.000 0.946 102 Y CA -1.153 57.018 58.100 0.118 0.000 1.241 102 Y CB -0.227 38.371 38.460 0.230 0.000 1.226 102 Y HN 0.024 nan 8.280 nan 0.000 0.582 103 S N -0.874 114.867 115.700 0.068 0.000 2.469 103 S HA -0.177 4.376 4.470 0.137 0.000 0.238 103 S C 1.495 176.047 174.600 -0.079 0.000 0.998 103 S CA 1.361 59.560 58.200 -0.001 0.000 0.957 103 S CB -0.030 63.153 63.200 -0.029 0.000 0.764 103 S HN 0.603 nan 8.310 nan 0.000 0.514 104 E N 0.168 120.228 120.200 -0.234 0.000 2.435 104 E HA 0.026 4.458 4.350 0.137 0.000 0.195 104 E C 0.545 176.789 176.600 -0.592 0.000 1.029 104 E CA 0.399 56.504 56.400 -0.493 0.000 0.865 104 E CB -0.395 28.851 29.700 -0.756 0.000 0.833 104 E HN 0.689 nan 8.360 nan 0.000 0.510 105 F N 0.258 120.256 119.950 0.081 0.000 2.778 105 F HA 0.236 4.846 4.527 0.137 0.000 0.314 105 F C 0.570 176.405 175.800 0.059 0.000 1.073 105 F CA -0.338 57.695 58.000 0.054 0.000 1.218 105 F CB 0.905 39.914 39.000 0.016 0.000 1.037 105 F HN -0.265 nan 8.300 nan 0.000 0.594 106 V N 1.305 121.352 119.914 0.223 0.000 2.588 106 V HA 0.454 4.657 4.120 0.137 0.000 0.304 106 V C -0.748 175.405 176.094 0.098 0.000 1.042 106 V CA -0.839 61.557 62.300 0.160 0.000 0.877 106 V CB 1.954 33.885 31.823 0.180 0.000 0.996 106 V HN 0.144 nan 8.190 nan 0.000 0.425 107 Q N 2.451 122.298 119.800 0.078 0.000 2.330 107 Q HA 0.642 5.065 4.340 0.137 0.000 0.269 107 Q C -1.272 174.763 176.000 0.058 0.000 1.022 107 Q CA -0.382 55.453 55.803 0.054 0.000 0.796 107 Q CB 2.242 31.010 28.738 0.050 0.000 1.271 107 Q HN 0.769 nan 8.270 nan 0.000 0.450 108 T N 4.369 118.948 114.554 0.042 0.000 2.824 108 T HA 0.604 5.037 4.350 0.137 0.000 0.282 108 T C -0.730 174.032 174.700 0.104 0.000 0.993 108 T CA -0.612 61.530 62.100 0.069 0.000 0.967 108 T CB 1.100 69.945 68.868 -0.038 0.000 0.960 108 T HN 0.531 nan 8.240 nan 0.000 0.441 109 R N 1.276 121.883 120.500 0.177 0.000 2.867 109 R HA 0.823 5.245 4.340 0.137 0.000 0.268 109 R C -1.437 174.999 176.300 0.227 0.000 1.014 109 R CA -0.992 55.207 56.100 0.165 0.000 0.946 109 R CB 2.185 32.545 30.300 0.099 0.000 1.208 109 R HN 0.347 nan 8.270 nan 0.000 0.477 110 V N 2.215 122.209 119.914 0.134 0.000 2.540 110 V HA 0.468 4.671 4.120 0.137 0.000 0.302 110 V C -0.385 175.718 176.094 0.016 0.000 1.035 110 V CA -0.782 61.551 62.300 0.055 0.000 0.873 110 V CB 1.949 33.726 31.823 -0.078 0.000 0.992 110 V HN 0.613 nan 8.190 nan 0.000 0.428 111 I N 3.987 124.559 120.570 0.004 0.000 2.377 111 I HA 0.705 4.958 4.170 0.137 0.000 0.293 111 I C 0.007 176.105 176.117 -0.031 0.000 0.987 111 I CA 0.549 61.845 61.300 -0.006 0.000 1.185 111 I CB 1.591 39.595 38.000 0.007 0.000 1.341 111 I HN 0.790 nan 8.210 nan 0.000 0.455 112 T N 0.000 114.536 114.554 -0.031 0.000 3.816 112 T HA 0.000 4.432 4.350 0.137 0.000 0.228 112 T CA 0.000 62.075 62.100 -0.042 0.000 1.349 112 T CB 0.000 68.835 68.868 -0.055 0.000 0.612 112 T HN 0.000 nan 8.240 nan 0.000 0.658