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 1bmz_1_B DATA FIRST_RESID 10 DATA SEQUENCE CPLMVKVLDA VRGSPAINVA VHVFRKAADD TWEPFASGKT SESGELHGLT DATA SEQUENCE TEEEFVEGIY KVEIDTKSYW KALGISPFHE HAEVVFTAND SGPRRYTIAA DATA SEQUENCE LLSPYSYSTT AVVT VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 10 C HA 0.000 nan 4.460 nan 0.000 0.325 10 C C 0.000 175.001 174.990 0.018 0.000 1.270 10 C CA 0.000 59.031 59.018 0.021 0.000 1.963 10 C CB 0.000 27.773 27.740 0.055 0.000 2.134 11 P HA 0.166 nan 4.420 nan 0.000 0.251 11 P C -0.100 177.186 177.300 -0.024 0.000 1.223 11 P CA 0.339 63.479 63.100 0.067 0.000 0.796 11 P CB 0.550 32.378 31.700 0.214 0.000 1.068 12 L N 0.271 121.378 121.223 -0.194 0.000 2.441 12 L HA 0.575 4.915 4.340 0.000 0.000 0.270 12 L C -1.120 175.654 176.870 -0.159 0.000 0.973 12 L CA -0.683 54.013 54.840 -0.241 0.000 0.842 12 L CB 1.930 43.629 42.059 -0.599 0.000 1.239 12 L HN -0.222 nan 8.230 nan 0.000 0.406 13 M N 5.063 124.593 119.600 -0.117 0.000 2.464 13 M HA 0.652 5.132 4.480 0.000 0.000 0.308 13 M C -1.802 174.392 176.300 -0.175 0.000 1.127 13 M CA -0.614 54.577 55.300 -0.183 0.000 0.913 13 M CB 2.295 34.795 32.600 -0.166 0.000 1.689 13 M HN 0.372 nan 8.290 nan 0.000 0.445 14 V N 4.338 124.119 119.914 -0.223 0.000 2.604 14 V HA 0.591 4.711 4.120 0.000 0.000 0.305 14 V C -0.430 175.553 176.094 -0.185 0.000 1.043 14 V CA -0.877 61.322 62.300 -0.168 0.000 0.888 14 V CB 2.181 33.919 31.823 -0.141 0.000 0.995 14 V HN 0.713 nan 8.190 nan 0.000 0.429 15 K N 3.020 123.338 120.400 -0.136 0.000 2.471 15 K HA 0.731 5.051 4.320 0.000 0.000 0.252 15 K C -1.891 174.645 176.600 -0.107 0.000 0.938 15 K CA -0.407 55.809 56.287 -0.118 0.000 0.796 15 K CB 2.241 34.689 32.500 -0.086 0.000 1.161 15 K HN 0.491 nan 8.250 nan 0.000 0.425 16 V N 5.590 125.430 119.914 -0.124 0.000 2.531 16 V HA 0.501 4.621 4.120 0.000 0.000 0.301 16 V C -0.257 175.750 176.094 -0.146 0.000 1.034 16 V CA -0.907 61.302 62.300 -0.151 0.000 0.865 16 V CB 1.704 33.391 31.823 -0.227 0.000 0.995 16 V HN 0.630 nan 8.190 nan 0.000 0.424 17 L N 3.062 124.221 121.223 -0.106 0.000 2.333 17 L HA 0.662 5.002 4.340 0.000 0.000 0.269 17 L C -0.651 176.187 176.870 -0.054 0.000 1.010 17 L CA -0.598 54.203 54.840 -0.065 0.000 0.818 17 L CB 2.172 44.225 42.059 -0.011 0.000 1.306 17 L HN 0.554 nan 8.230 nan 0.000 0.430 18 D N 1.039 121.436 120.400 -0.004 0.000 2.392 18 D HA 0.357 4.998 4.640 0.000 0.000 0.228 18 D C 0.373 176.781 176.300 0.179 0.000 1.074 18 D CA -0.338 53.721 54.000 0.099 0.000 0.838 18 D CB 2.210 43.081 40.800 0.118 0.000 1.067 18 D HN 0.600 nan 8.370 nan 0.000 0.511 19 A N 3.271 126.241 122.820 0.249 0.000 2.167 19 A HA 0.032 4.352 4.320 0.000 0.000 0.214 19 A C 1.827 179.538 177.584 0.211 0.000 1.151 19 A CA 0.489 52.647 52.037 0.202 0.000 0.735 19 A CB 0.160 19.273 19.000 0.189 0.000 0.802 19 A HN 0.480 nan 8.150 nan 0.000 0.467 20 V N -0.495 119.605 119.914 0.311 0.000 2.599 20 V HA -0.067 4.053 4.120 0.000 0.000 0.245 20 V C 2.269 178.481 176.094 0.197 0.000 1.046 20 V CA 1.619 64.073 62.300 0.257 0.000 1.065 20 V CB -0.544 31.494 31.823 0.358 0.000 0.703 20 V HN 0.527 nan 8.190 nan 0.000 0.464 21 R N 0.150 120.774 120.500 0.207 0.000 2.308 21 R HA 0.324 4.664 4.340 0.000 0.000 0.202 21 R C 1.367 177.730 176.300 0.105 0.000 0.898 21 R CA 0.621 56.806 56.100 0.142 0.000 1.046 21 R CB 0.434 30.818 30.300 0.140 0.000 1.026 21 R HN 0.501 nan 8.270 nan 0.000 0.512 22 G N 2.203 111.068 108.800 0.107 0.000 2.298 22 G HA2 -0.282 3.678 3.960 0.000 0.000 0.287 22 G HA3 -0.282 3.678 3.960 0.000 0.000 0.287 22 G C -0.141 174.795 174.900 0.061 0.000 1.075 22 G CA 0.526 45.672 45.100 0.076 0.000 0.960 22 G HN 0.459 nan 8.290 nan 0.000 0.502 23 S N -1.477 114.262 115.700 0.064 0.000 2.656 23 S HA 0.885 5.355 4.470 0.000 0.000 0.273 23 S C -3.145 171.470 174.600 0.027 0.000 1.168 23 S CA -1.088 57.139 58.200 0.045 0.000 0.817 23 S CB 3.064 66.295 63.200 0.052 0.000 1.146 23 S HN 0.296 nan 8.310 nan 0.000 0.475 24 P HA 0.370 nan 4.420 nan 0.000 0.275 24 P C -0.839 176.436 177.300 -0.041 0.000 1.228 24 P CA -0.132 62.953 63.100 -0.026 0.000 0.786 24 P CB 0.576 32.265 31.700 -0.019 0.000 0.927 25 A N 4.747 127.479 122.820 -0.148 0.000 2.415 25 A HA 0.377 4.697 4.320 0.000 0.000 0.309 25 A C 0.484 177.963 177.584 -0.175 0.000 1.356 25 A CA -0.535 51.317 52.037 -0.308 0.000 0.998 25 A CB -0.928 17.596 19.000 -0.792 0.000 1.145 25 A HN 0.453 nan 8.150 nan 0.000 0.545 26 I N 1.752 122.327 120.570 0.008 0.000 2.440 26 I HA 0.190 4.360 4.170 0.000 0.000 0.294 26 I C 0.661 176.805 176.117 0.047 0.000 0.995 26 I CA -0.368 60.941 61.300 0.016 0.000 1.306 26 I CB 0.793 38.814 38.000 0.036 0.000 1.407 26 I HN 0.808 nan 8.210 nan 0.000 0.501 27 N N 2.175 120.876 118.700 0.002 0.000 2.747 27 N HA -0.142 4.599 4.740 0.000 0.000 0.249 27 N C -0.901 174.616 175.510 0.012 0.000 1.107 27 N CA 0.310 53.365 53.050 0.007 0.000 0.707 27 N CB -0.748 37.754 38.487 0.025 0.000 1.054 27 N HN 0.294 nan 8.380 nan 0.000 0.555 28 V N 0.371 120.260 119.914 -0.042 0.000 2.498 28 V HA 0.629 4.749 4.120 0.000 0.000 0.279 28 V C 0.948 177.005 176.094 -0.062 0.000 1.048 28 V CA -0.351 61.908 62.300 -0.068 0.000 0.967 28 V CB 1.372 33.065 31.823 -0.217 0.000 0.988 28 V HN 0.349 nan 8.190 nan 0.000 0.473 29 A N 5.421 128.229 122.820 -0.020 0.000 2.409 29 A HA 0.652 4.972 4.320 0.000 0.000 0.262 29 A C -0.414 177.154 177.584 -0.027 0.000 1.113 29 A CA -0.232 51.793 52.037 -0.021 0.000 0.790 29 A CB 0.471 19.517 19.000 0.076 0.000 1.046 29 A HN 0.700 nan 8.150 nan 0.000 0.496 30 V N 3.522 123.362 119.914 -0.124 0.000 2.588 30 V HA 0.410 4.530 4.120 0.000 0.000 0.304 30 V C -0.956 174.977 176.094 -0.270 0.000 1.042 30 V CA -0.538 61.695 62.300 -0.111 0.000 0.877 30 V CB 1.747 33.493 31.823 -0.129 0.000 0.996 30 V HN 0.991 nan 8.190 nan 0.000 0.425 31 H N 1.765 120.770 119.070 -0.109 0.000 2.609 31 H HA 0.703 5.259 4.556 0.001 0.000 0.344 31 H C -0.692 174.432 175.328 -0.340 0.000 1.040 31 H CA -0.464 55.441 56.048 -0.239 0.000 1.216 31 H CB 2.058 31.717 29.762 -0.172 0.000 1.529 31 H HN 0.453 nan 8.280 nan 0.000 0.519 32 V N 4.650 124.355 119.914 -0.350 0.000 2.483 32 V HA 0.399 4.519 4.120 0.000 0.000 0.295 32 V C -0.635 175.181 176.094 -0.463 0.000 1.035 32 V CA -0.606 61.578 62.300 -0.195 0.000 0.896 32 V CB 0.661 32.541 31.823 0.094 0.000 0.986 32 V HN 0.537 nan 8.190 nan 0.000 0.447 33 F N 2.840 122.890 119.950 0.168 0.000 2.561 33 F HA 0.718 5.246 4.527 0.001 0.000 0.321 33 F C 0.176 176.122 175.800 0.244 0.000 1.065 33 F CA -0.810 57.324 58.000 0.223 0.000 0.934 33 F CB 1.891 40.950 39.000 0.099 0.000 1.215 33 F HN 0.296 nan 8.300 nan 0.000 0.471 34 R N 1.640 122.361 120.500 0.368 0.000 2.562 34 R HA 0.402 4.742 4.340 0.000 0.000 0.298 34 R C -0.962 175.338 176.300 -0.000 0.000 0.961 34 R CA -0.944 55.089 56.100 -0.112 0.000 0.881 34 R CB 1.517 31.578 30.300 -0.399 0.000 1.159 34 R HN 0.686 nan 8.270 nan 0.000 0.450 35 K N 2.386 122.593 120.400 -0.322 0.000 2.383 35 K HA 0.222 4.542 4.320 0.000 0.000 0.286 35 K C -0.601 175.776 176.600 -0.372 0.000 1.051 35 K CA -0.041 55.873 56.287 -0.621 0.000 0.974 35 K CB 0.999 33.010 32.500 -0.815 0.000 0.968 35 K HN 0.649 nan 8.250 nan 0.000 0.475 36 A N 3.355 125.999 122.820 -0.294 0.000 2.304 36 A HA 0.412 4.732 4.320 0.000 0.000 0.271 36 A C 1.197 178.669 177.584 -0.185 0.000 1.091 36 A CA 0.291 52.223 52.037 -0.175 0.000 0.812 36 A CB 0.717 19.654 19.000 -0.105 0.000 1.056 36 A HN 0.949 nan 8.150 nan 0.000 0.489 37 A N 0.856 123.599 122.820 -0.127 0.000 1.958 37 A HA -0.185 4.135 4.320 0.000 0.000 0.221 37 A C 1.347 178.862 177.584 -0.116 0.000 1.178 37 A CA 1.993 53.962 52.037 -0.112 0.000 0.642 37 A CB -0.593 18.362 19.000 -0.075 0.000 0.816 37 A HN 0.893 nan 8.150 nan 0.000 0.453 38 D N -1.739 118.595 120.400 -0.109 0.000 2.413 38 D HA 0.110 4.750 4.640 0.000 0.000 0.237 38 D C -0.418 175.798 176.300 -0.141 0.000 1.171 38 D CA 0.543 54.481 54.000 -0.102 0.000 0.839 38 D CB -0.447 40.310 40.800 -0.073 0.000 0.950 38 D HN 0.318 nan 8.370 nan 0.000 0.499 39 D N 0.168 120.448 120.400 -0.200 0.000 3.039 39 D HA -0.160 4.480 4.640 0.000 0.000 0.222 39 D C -0.251 175.832 176.300 -0.360 0.000 1.179 39 D CA 1.631 55.459 54.000 -0.287 0.000 0.880 39 D CB -1.200 39.470 40.800 -0.216 0.000 1.115 39 D HN 0.588 nan 8.370 nan 0.000 0.416 40 T N -3.759 110.621 114.554 -0.290 0.000 2.943 40 T HA 0.553 4.903 4.350 0.000 0.000 0.284 40 T C 0.045 174.573 174.700 -0.287 0.000 1.015 40 T CA -0.818 61.139 62.100 -0.238 0.000 1.042 40 T CB 0.994 69.816 68.868 -0.078 0.000 1.055 40 T HN 0.183 nan 8.240 nan 0.000 0.500 41 W N 1.734 123.005 121.300 -0.047 0.000 2.416 41 W HA 0.345 5.005 4.660 -0.001 0.000 0.318 41 W C 0.464 177.059 176.519 0.126 0.000 1.150 41 W CA -0.736 56.608 57.345 -0.002 0.000 1.392 41 W CB 0.532 29.909 29.460 -0.137 0.000 1.311 41 W HN 0.510 nan 8.180 nan 0.000 0.436 42 E N 4.383 124.807 120.200 0.373 0.000 2.313 42 E HA 0.192 4.542 4.350 0.000 0.000 0.276 42 E C -2.161 174.716 176.600 0.461 0.000 1.031 42 E CA -1.931 54.666 56.400 0.327 0.000 0.857 42 E CB 0.730 30.549 29.700 0.199 0.000 1.040 42 E HN -0.018 nan 8.360 nan 0.000 0.408 43 P HA -0.030 nan 4.420 nan 0.000 0.268 43 P C -0.411 176.990 177.300 0.169 0.000 1.205 43 P CA 0.411 63.623 63.100 0.186 0.000 0.771 43 P CB 0.318 32.114 31.700 0.159 0.000 0.858 44 F N 3.051 122.933 119.950 -0.114 0.000 2.577 44 F HA 0.601 5.128 4.527 -0.000 0.000 0.282 44 F C -0.176 175.595 175.800 -0.049 0.000 0.957 44 F CA 0.423 58.419 58.000 -0.007 0.000 1.168 44 F CB 0.410 39.479 39.000 0.115 0.000 0.958 44 F HN 0.355 nan 8.300 nan 0.000 0.702 45 A N -0.089 122.645 122.820 -0.144 0.000 2.608 45 A HA 0.687 5.007 4.320 0.000 0.000 0.292 45 A C -1.147 176.301 177.584 -0.227 0.000 1.066 45 A CA 0.092 51.990 52.037 -0.232 0.000 0.676 45 A CB 0.734 19.606 19.000 -0.213 0.000 1.277 45 A HN 0.572 nan 8.150 nan 0.000 0.413 46 S N -0.631 114.917 115.700 -0.253 0.000 2.588 46 S HA 0.974 5.444 4.470 0.000 0.000 0.269 46 S C -0.213 174.217 174.600 -0.284 0.000 1.157 46 S CA 0.004 57.985 58.200 -0.364 0.000 0.824 46 S CB 1.175 64.038 63.200 -0.562 0.000 1.126 46 S HN 2.688 nan 8.310 nan 0.000 0.464 47 G N 0.446 109.064 108.800 -0.303 0.000 2.341 47 G HA2 0.567 4.528 3.960 0.000 0.000 0.299 47 G HA3 0.567 4.528 3.960 0.000 0.000 0.299 47 G C -2.345 172.453 174.900 -0.170 0.000 1.274 47 G CA -0.891 44.092 45.100 -0.196 0.000 0.853 47 G HN 0.734 nan 8.290 nan 0.000 0.493 48 K N 0.506 120.837 120.400 -0.114 0.000 2.427 48 K HA 0.587 4.907 4.320 0.000 0.000 0.252 48 K C -0.044 176.509 176.600 -0.078 0.000 0.931 48 K CA -0.632 55.602 56.287 -0.088 0.000 0.793 48 K CB 2.111 34.577 32.500 -0.058 0.000 1.211 48 K HN 0.824 nan 8.250 nan 0.000 0.426 49 T N -0.560 113.942 114.554 -0.085 0.000 2.932 49 T HA 0.074 4.424 4.350 0.000 0.000 0.312 49 T C 0.813 175.484 174.700 -0.047 0.000 1.071 49 T CA -0.630 61.420 62.100 -0.082 0.000 1.128 49 T CB 0.796 69.598 68.868 -0.111 0.000 0.984 49 T HN 0.565 nan 8.240 nan 0.000 0.549 50 S N 1.899 117.583 115.700 -0.027 0.000 2.632 50 S HA 0.211 4.681 4.470 0.000 0.000 0.267 50 S C 1.130 175.726 174.600 -0.007 0.000 1.193 50 S CA -0.864 57.332 58.200 -0.006 0.000 1.003 50 S CB 0.323 63.536 63.200 0.022 0.000 1.073 50 S HN 0.741 nan 8.310 nan 0.000 0.553 51 E N 0.755 120.956 120.200 0.001 0.000 2.338 51 E HA -0.065 4.285 4.350 0.000 0.000 0.197 51 E C 1.686 178.288 176.600 0.003 0.000 1.007 51 E CA 1.181 57.582 56.400 0.003 0.000 0.849 51 E CB -0.364 29.338 29.700 0.004 0.000 0.774 51 E HN 0.742 nan 8.360 nan 0.000 0.506 52 S N -1.112 114.591 115.700 0.006 0.000 2.572 52 S HA 0.304 4.774 4.470 0.000 0.000 0.228 52 S C 1.430 176.025 174.600 -0.008 0.000 0.963 52 S CA 0.368 58.573 58.200 0.007 0.000 0.939 52 S CB 0.437 63.651 63.200 0.024 0.000 0.804 52 S HN 0.234 nan 8.310 nan 0.000 0.480 53 G N 0.556 109.339 108.800 -0.027 0.000 2.155 53 G HA2 -0.255 3.705 3.960 0.000 0.000 0.257 53 G HA3 -0.255 3.705 3.960 0.000 0.000 0.257 53 G C -0.247 174.605 174.900 -0.081 0.000 0.983 53 G CA 0.408 45.469 45.100 -0.066 0.000 0.676 53 G HN 0.628 nan 8.290 nan 0.000 0.528 54 E N -1.065 119.103 120.200 -0.054 0.000 2.212 54 E HA 0.721 5.071 4.350 0.000 0.000 0.270 54 E C -0.800 175.708 176.600 -0.153 0.000 0.956 54 E CA -1.057 55.272 56.400 -0.118 0.000 0.825 54 E CB 2.010 31.689 29.700 -0.035 0.000 1.167 54 E HN 0.162 nan 8.360 nan 0.000 0.400 55 L N 2.621 123.657 121.223 -0.311 0.000 2.406 55 L HA 0.369 4.709 4.340 0.000 0.000 0.270 55 L C -1.606 175.033 176.870 -0.384 0.000 0.982 55 L CA -0.239 54.457 54.840 -0.240 0.000 0.843 55 L CB 0.645 42.595 42.059 -0.182 0.000 1.225 55 L HN 0.578 nan 8.230 nan 0.000 0.412 56 H N 2.510 121.538 119.070 -0.070 0.000 2.676 56 H HA 0.727 5.283 4.556 0.000 0.000 0.352 56 H C 0.784 176.067 175.328 -0.075 0.000 1.193 56 H CA -0.150 55.857 56.048 -0.068 0.000 1.243 56 H CB 1.682 31.411 29.762 -0.055 0.000 1.751 56 H HN 0.747 nan 8.280 nan 0.000 0.567 57 G N 0.508 109.347 108.800 0.065 0.000 2.249 57 G HA2 -0.281 3.679 3.960 0.000 0.000 0.273 57 G HA3 -0.281 3.679 3.960 0.000 0.000 0.273 57 G C 0.717 175.582 174.900 -0.058 0.000 1.036 57 G CA 0.646 45.744 45.100 -0.003 0.000 0.824 57 G HN 0.523 nan 8.290 nan 0.000 0.504 58 L N -0.634 120.536 121.223 -0.088 0.000 2.109 58 L HA 0.117 4.457 4.340 0.000 0.000 0.207 58 L C 1.780 178.564 176.870 -0.144 0.000 1.086 58 L CA 1.925 56.691 54.840 -0.123 0.000 0.760 58 L CB -0.274 41.709 42.059 -0.128 0.000 0.910 58 L HN 0.587 nan 8.230 nan 0.000 0.437 59 T N -3.752 110.730 114.554 -0.118 0.000 2.647 59 T HA 0.465 4.815 4.350 0.000 0.000 0.295 59 T C -0.408 174.275 174.700 -0.028 0.000 1.126 59 T CA -0.465 61.584 62.100 -0.086 0.000 1.040 59 T CB 1.789 70.666 68.868 0.015 0.000 1.472 59 T HN 0.048 nan 8.240 nan 0.000 0.500 60 T N -1.705 112.874 114.554 0.042 0.000 2.916 60 T HA 0.557 4.907 4.350 0.000 0.000 0.292 60 T C 0.481 175.274 174.700 0.154 0.000 1.055 60 T CA -0.714 61.426 62.100 0.067 0.000 1.009 60 T CB 2.074 70.970 68.868 0.048 0.000 1.118 60 T HN 0.389 nan 8.240 nan 0.000 0.497 61 E N 0.591 120.879 120.200 0.147 0.000 2.204 61 E HA -0.088 4.262 4.350 0.000 0.000 0.194 61 E C 1.653 178.369 176.600 0.194 0.000 0.989 61 E CA 1.094 57.617 56.400 0.205 0.000 0.824 61 E CB -0.105 29.687 29.700 0.154 0.000 0.756 61 E HN 0.785 nan 8.360 nan 0.000 0.477 62 E N 0.572 120.858 120.200 0.143 0.000 2.058 62 E HA -0.187 4.163 4.350 0.000 0.000 0.194 62 E C 1.971 178.670 176.600 0.165 0.000 0.997 62 E CA 1.432 57.906 56.400 0.123 0.000 0.801 62 E CB -0.177 29.575 29.700 0.085 0.000 0.746 62 E HN 0.334 nan 8.360 nan 0.000 0.450 63 E N -0.203 120.122 120.200 0.208 0.000 2.299 63 E HA -0.099 4.251 4.350 0.000 0.000 0.193 63 E C -0.054 176.851 176.600 0.510 0.000 0.998 63 E CA -0.043 56.531 56.400 0.290 0.000 0.851 63 E CB 0.082 29.897 29.700 0.193 0.000 0.795 63 E HN 0.166 nan 8.360 nan 0.000 0.492 64 F N 3.613 123.725 119.950 0.270 0.000 2.652 64 F HA 0.149 4.676 4.527 -0.000 0.000 0.352 64 F C 0.023 175.914 175.800 0.152 0.000 1.259 64 F CA -1.136 56.998 58.000 0.223 0.000 1.249 64 F CB -0.274 38.801 39.000 0.125 0.000 1.628 64 F HN -0.181 nan 8.300 nan 0.000 0.654 65 V N 1.043 120.997 119.914 0.066 0.000 3.170 65 V HA 0.430 4.550 4.120 0.000 0.000 0.309 65 V C 0.358 176.362 176.094 -0.149 0.000 1.071 65 V CA -1.139 61.137 62.300 -0.040 0.000 1.063 65 V CB 0.764 32.608 31.823 0.035 0.000 1.123 65 V HN 0.450 nan 8.190 nan 0.000 0.464 66 E N 0.781 120.914 120.200 -0.112 0.000 2.442 66 E HA 0.491 4.842 4.350 0.000 0.000 0.262 66 E C 0.303 176.841 176.600 -0.104 0.000 1.004 66 E CA 0.895 57.232 56.400 -0.104 0.000 0.928 66 E CB 0.644 30.307 29.700 -0.063 0.000 0.937 66 E HN 1.192 nan 8.360 nan 0.000 0.446 67 G N 1.435 110.164 108.800 -0.117 0.000 2.320 67 G HA2 0.306 4.266 3.960 0.000 0.000 0.296 67 G HA3 0.306 4.266 3.960 0.000 0.000 0.296 67 G C -1.467 173.241 174.900 -0.321 0.000 1.306 67 G CA -1.026 43.891 45.100 -0.304 0.000 0.836 67 G HN 0.384 nan 8.290 nan 0.000 0.517 68 I N 0.601 120.910 120.570 -0.435 0.000 2.377 68 I HA 0.516 4.686 4.170 0.000 0.000 0.293 68 I C -0.935 174.950 176.117 -0.387 0.000 0.987 68 I CA -0.673 60.462 61.300 -0.275 0.000 1.185 68 I CB 1.465 39.366 38.000 -0.165 0.000 1.341 68 I HN 0.421 nan 8.210 nan 0.000 0.455 69 Y N 4.435 124.526 120.300 -0.349 0.000 2.524 69 Y HA 0.525 5.075 4.550 0.000 0.000 0.344 69 Y C -0.200 175.527 175.900 -0.289 0.000 1.012 69 Y CA -0.940 56.964 58.100 -0.327 0.000 1.068 69 Y CB 1.988 40.038 38.460 -0.684 0.000 1.249 69 Y HN 0.370 nan 8.280 nan 0.000 0.468 70 K N 1.426 121.812 120.400 -0.023 0.000 2.463 70 K HA 0.702 5.022 4.320 0.000 0.000 0.255 70 K C -2.223 174.401 176.600 0.041 0.000 0.942 70 K CA -0.507 55.668 56.287 -0.185 0.000 0.814 70 K CB 1.256 33.211 32.500 -0.909 0.000 1.122 70 K HN 0.483 nan 8.250 nan 0.000 0.425 71 V N 3.888 123.864 119.914 0.103 0.000 2.370 71 V HA 0.328 4.448 4.120 0.000 0.000 0.279 71 V C -0.414 175.706 176.094 0.042 0.000 1.029 71 V CA -0.586 61.775 62.300 0.103 0.000 0.870 71 V CB 1.217 33.122 31.823 0.136 0.000 0.984 71 V HN 0.847 nan 8.190 nan 0.000 0.451 72 E N 4.847 125.076 120.200 0.049 0.000 2.155 72 E HA 0.534 4.885 4.350 0.000 0.000 0.264 72 E C -1.251 175.338 176.600 -0.018 0.000 0.886 72 E CA -0.611 55.768 56.400 -0.034 0.000 0.752 72 E CB 1.370 31.039 29.700 -0.051 0.000 1.133 72 E HN 0.652 nan 8.360 nan 0.000 0.414 73 I N 3.739 124.276 120.570 -0.055 0.000 2.312 73 I HA 0.105 4.276 4.170 0.000 0.000 0.290 73 I C -0.019 176.096 176.117 -0.003 0.000 1.008 73 I CA -0.622 60.646 61.300 -0.053 0.000 1.226 73 I CB 1.198 39.126 38.000 -0.121 0.000 1.371 73 I HN 0.457 nan 8.210 nan 0.000 0.468 74 D N 5.255 125.675 120.400 0.033 0.000 2.545 74 D HA -0.005 4.635 4.640 0.000 0.000 0.227 74 D C 1.496 177.836 176.300 0.067 0.000 1.150 74 D CA 0.001 54.051 54.000 0.084 0.000 1.046 74 D CB 0.574 41.434 40.800 0.100 0.000 1.098 74 D HN 0.672 nan 8.370 nan 0.000 0.502 75 T N -0.027 114.572 114.554 0.074 0.000 2.857 75 T HA -0.158 4.192 4.350 0.000 0.000 0.266 75 T C 1.830 176.670 174.700 0.235 0.000 1.048 75 T CA 0.781 62.936 62.100 0.092 0.000 1.139 75 T CB 0.025 68.977 68.868 0.139 0.000 0.874 75 T HN 0.261 nan 8.240 nan 0.000 0.455 76 K N 1.063 121.598 120.400 0.225 0.000 2.032 76 K HA -0.102 4.218 4.320 0.000 0.000 0.209 76 K C 2.608 179.320 176.600 0.186 0.000 1.048 76 K CA 1.565 57.986 56.287 0.224 0.000 0.927 76 K CB -0.355 32.218 32.500 0.123 0.000 0.712 76 K HN 0.333 nan 8.250 nan 0.000 0.441 77 S N -0.006 115.774 115.700 0.133 0.000 2.370 77 S HA -0.188 4.282 4.470 0.000 0.000 0.226 77 S C 1.568 176.214 174.600 0.076 0.000 1.033 77 S CA 1.377 59.634 58.200 0.094 0.000 1.011 77 S CB -0.524 62.725 63.200 0.081 0.000 0.852 77 S HN 0.409 nan 8.310 nan 0.000 0.457 78 Y N 1.027 121.285 120.300 -0.071 0.000 2.053 78 Y HA -0.263 4.286 4.550 -0.000 0.000 0.277 78 Y C 1.962 177.758 175.900 -0.173 0.000 1.159 78 Y CA 1.577 59.553 58.100 -0.206 0.000 1.125 78 Y CB -0.784 37.421 38.460 -0.425 0.000 0.969 78 Y HN 0.305 nan 8.280 nan 0.000 0.492 79 W N 0.652 121.963 121.300 0.019 0.000 2.363 79 W HA -0.185 4.475 4.660 -0.001 0.000 0.296 79 W C 2.327 178.797 176.519 -0.082 0.000 1.212 79 W CA 0.885 58.194 57.345 -0.061 0.000 1.260 79 W CB -0.203 29.302 29.460 0.074 0.000 1.131 79 W HN -0.112 nan 8.180 nan 0.000 0.530 80 K N 0.406 120.910 120.400 0.174 0.000 2.063 80 K HA -0.146 4.174 4.320 0.000 0.000 0.208 80 K C 2.098 178.715 176.600 0.028 0.000 1.048 80 K CA 1.645 57.988 56.287 0.093 0.000 0.928 80 K CB -1.346 31.196 32.500 0.071 0.000 0.713 80 K HN 0.190 nan 8.250 nan 0.000 0.442 81 A N 1.162 123.961 122.820 -0.035 0.000 1.972 81 A HA -0.089 4.231 4.320 0.000 0.000 0.219 81 A C 1.980 179.514 177.584 -0.083 0.000 1.169 81 A CA 1.100 53.093 52.037 -0.073 0.000 0.635 81 A CB -0.493 18.433 19.000 -0.124 0.000 0.810 81 A HN 0.231 nan 8.150 nan 0.000 0.446 82 L N -0.779 120.381 121.223 -0.105 0.000 2.627 82 L HA 0.176 4.516 4.340 0.000 0.000 0.232 82 L C 1.530 178.423 176.870 0.038 0.000 1.150 82 L CA 0.401 55.211 54.840 -0.050 0.000 0.917 82 L CB -0.761 41.263 42.059 -0.058 0.000 1.104 82 L HN 0.572 nan 8.230 nan 0.000 0.445 83 G N 1.314 110.137 108.800 0.039 0.000 2.179 83 G HA2 -0.300 3.660 3.960 0.000 0.000 0.257 83 G HA3 -0.300 3.660 3.960 0.000 0.000 0.257 83 G C 0.104 175.049 174.900 0.074 0.000 1.010 83 G CA 0.235 45.365 45.100 0.049 0.000 0.736 83 G HN 0.381 nan 8.290 nan 0.000 0.513 84 I N 0.039 120.682 120.570 0.122 0.000 2.562 84 I HA 0.488 4.658 4.170 0.000 0.000 0.301 84 I C 0.509 176.683 176.117 0.095 0.000 1.003 84 I CA -0.767 60.599 61.300 0.111 0.000 1.127 84 I CB 2.111 40.198 38.000 0.145 0.000 1.304 84 I HN 0.070 nan 8.210 nan 0.000 0.446 85 S N 6.648 122.374 115.700 0.043 0.000 2.415 85 S HA 0.400 4.870 4.470 0.000 0.000 0.313 85 S C -2.160 172.403 174.600 -0.061 0.000 1.067 85 S CA -1.408 56.808 58.200 0.028 0.000 1.099 85 S CB 0.223 63.452 63.200 0.049 0.000 0.991 85 S HN 0.325 nan 8.310 nan 0.000 0.491 86 P HA 0.202 nan 4.420 nan 0.000 0.279 86 P C 0.343 177.447 177.300 -0.327 0.000 1.252 86 P CA -0.597 62.361 63.100 -0.235 0.000 0.811 86 P CB 0.715 32.447 31.700 0.053 0.000 1.035 87 F N 1.304 120.792 119.950 -0.770 0.000 2.179 87 F HA 0.064 4.591 4.527 0.001 0.000 0.292 87 F C 0.916 176.413 175.800 -0.506 0.000 1.089 87 F CA 0.752 58.272 58.000 -0.800 0.000 1.295 87 F CB -0.630 37.677 39.000 -1.156 0.000 1.041 87 F HN 0.305 nan 8.300 nan 0.000 0.487 88 H N 0.707 119.722 119.070 -0.092 0.000 2.562 88 H HA 0.141 4.697 4.556 0.000 0.000 0.352 88 H C 1.210 176.438 175.328 -0.166 0.000 1.125 88 H CA -0.070 55.900 56.048 -0.130 0.000 1.379 88 H CB 0.686 30.531 29.762 0.139 0.000 1.464 88 H HN 0.071 nan 8.280 nan 0.000 0.563 89 E N 1.680 121.772 120.200 -0.180 0.000 2.107 89 E HA -0.068 4.282 4.350 0.000 0.000 0.191 89 E C 0.351 176.838 176.600 -0.190 0.000 0.982 89 E CA 1.172 57.416 56.400 -0.259 0.000 0.809 89 E CB 0.160 29.582 29.700 -0.463 0.000 0.756 89 E HN 0.806 nan 8.360 nan 0.000 0.459 90 H N -3.686 115.418 119.070 0.056 0.000 2.868 90 H HA 0.580 5.135 4.556 -0.000 0.000 0.278 90 H C -1.379 173.874 175.328 -0.125 0.000 1.454 90 H CA -0.708 55.331 56.048 -0.016 0.000 1.145 90 H CB 0.639 30.385 29.762 -0.028 0.000 1.808 90 H HN -0.042 nan 8.280 nan 0.000 0.500 91 A N 1.162 123.935 122.820 -0.079 0.000 2.317 91 A HA 0.508 4.828 4.320 0.000 0.000 0.327 91 A C -0.444 177.087 177.584 -0.089 0.000 1.178 91 A CA -0.718 51.052 52.037 -0.445 0.000 0.817 91 A CB 1.069 19.442 19.000 -1.044 0.000 1.189 91 A HN 0.547 nan 8.150 nan 0.000 0.489 92 E N 1.476 121.699 120.200 0.038 0.000 2.222 92 E HA 0.535 4.885 4.350 0.000 0.000 0.267 92 E C -1.440 175.215 176.600 0.091 0.000 0.884 92 E CA -0.798 55.628 56.400 0.042 0.000 0.764 92 E CB 2.257 31.984 29.700 0.045 0.000 1.169 92 E HN 0.266 nan 8.360 nan 0.000 0.413 93 V N 2.188 122.159 119.914 0.095 0.000 2.443 93 V HA 0.269 4.389 4.120 0.000 0.000 0.293 93 V C -0.327 175.912 176.094 0.242 0.000 1.021 93 V CA -0.842 61.565 62.300 0.178 0.000 0.848 93 V CB 1.704 33.628 31.823 0.169 0.000 0.998 93 V HN 0.440 nan 8.190 nan 0.000 0.424 94 V N 6.622 126.681 119.914 0.241 0.000 2.417 94 V HA 0.744 4.864 4.120 0.000 0.000 0.291 94 V C -0.490 175.814 176.094 0.350 0.000 1.024 94 V CA -0.480 61.952 62.300 0.219 0.000 0.861 94 V CB 1.239 33.162 31.823 0.167 0.000 0.985 94 V HN 0.832 nan 8.190 nan 0.000 0.436 95 F N 1.135 121.168 119.950 0.137 0.000 2.693 95 F HA 0.729 5.257 4.527 0.000 0.000 0.309 95 F C -0.508 175.364 175.800 0.119 0.000 1.129 95 F CA -0.896 57.169 58.000 0.109 0.000 0.948 95 F CB 1.367 40.410 39.000 0.073 0.000 1.315 95 F HN 0.228 nan 8.300 nan 0.000 0.447 96 T N 2.226 116.876 114.554 0.159 0.000 2.806 96 T HA 0.743 5.093 4.350 0.000 0.000 0.290 96 T C -0.077 174.715 174.700 0.154 0.000 0.966 96 T CA -0.027 62.107 62.100 0.057 0.000 1.060 96 T CB 1.065 69.975 68.868 0.070 0.000 0.927 96 T HN 0.931 nan 8.240 nan 0.000 0.485 97 A N 2.973 125.806 122.820 0.021 0.000 2.322 97 A HA 0.641 4.961 4.320 0.000 0.000 0.327 97 A C 0.737 178.314 177.584 -0.012 0.000 1.134 97 A CA -0.987 51.028 52.037 -0.037 0.000 0.831 97 A CB 0.115 18.839 19.000 -0.460 0.000 1.288 97 A HN 0.978 nan 8.150 nan 0.000 0.472 98 N N 0.237 119.007 118.700 0.116 0.000 2.588 98 N HA -0.316 4.424 4.740 0.000 0.000 0.245 98 N C 0.558 176.094 175.510 0.044 0.000 1.211 98 N CA 1.057 54.155 53.050 0.080 0.000 0.760 98 N CB -0.683 37.766 38.487 -0.063 0.000 1.160 98 N HN 0.825 nan 8.380 nan 0.000 0.569 99 D N -0.365 120.068 120.400 0.055 0.000 2.228 99 D HA -0.141 4.499 4.640 0.000 0.000 0.203 99 D C 0.513 176.835 176.300 0.036 0.000 0.988 99 D CA 1.441 55.460 54.000 0.033 0.000 0.864 99 D CB -0.331 40.493 40.800 0.041 0.000 0.928 99 D HN 0.310 nan 8.370 nan 0.000 0.469 100 S N -0.177 115.556 115.700 0.055 0.000 2.526 100 S HA 0.565 5.035 4.470 0.000 0.000 0.245 100 S C 0.517 175.141 174.600 0.040 0.000 1.103 100 S CA -0.161 58.064 58.200 0.042 0.000 1.095 100 S CB 0.555 63.781 63.200 0.043 0.000 0.826 100 S HN 0.800 nan 8.310 nan 0.000 0.468 101 G N 2.994 111.818 108.800 0.040 0.000 2.699 101 G HA2 -0.101 3.859 3.960 0.000 0.000 0.686 101 G HA3 -0.101 3.859 3.960 0.000 0.000 0.686 101 G C -3.481 171.456 174.900 0.061 0.000 1.301 101 G CA -1.297 43.826 45.100 0.039 0.000 0.816 101 G HN 0.130 nan 8.290 nan 0.000 0.595 102 P HA 0.417 nan 4.420 nan 0.000 0.275 102 P C -0.373 176.979 177.300 0.086 0.000 1.227 102 P CA 0.007 63.177 63.100 0.117 0.000 0.781 102 P CB 1.108 32.881 31.700 0.123 0.000 0.906 103 R N 2.212 122.766 120.500 0.090 0.000 3.018 103 R HA 0.575 4.915 4.340 0.000 0.000 0.243 103 R C 0.063 176.305 176.300 -0.097 0.000 1.315 103 R CA -1.119 54.908 56.100 -0.122 0.000 1.039 103 R CB 0.716 30.766 30.300 -0.416 0.000 1.315 103 R HN 0.409 nan 8.270 nan 0.000 0.492 104 R N 0.936 121.314 120.500 -0.204 0.000 2.338 104 R HA 0.393 4.733 4.340 0.000 0.000 0.317 104 R C -0.883 175.267 176.300 -0.250 0.000 0.968 104 R CA -0.566 55.479 56.100 -0.093 0.000 0.849 104 R CB 0.346 30.617 30.300 -0.049 0.000 1.128 104 R HN 0.479 nan 8.270 nan 0.000 0.448 105 Y N 0.303 120.607 120.300 0.006 0.000 2.335 105 Y HA 0.365 4.915 4.550 0.001 0.000 0.338 105 Y C 0.443 176.279 175.900 -0.107 0.000 0.977 105 Y CA -0.438 57.627 58.100 -0.059 0.000 1.114 105 Y CB 2.147 40.569 38.460 -0.063 0.000 1.182 105 Y HN 0.322 nan 8.280 nan 0.000 0.463 106 T N 5.293 119.851 114.554 0.007 0.000 2.786 106 T HA 0.506 4.856 4.350 0.000 0.000 0.283 106 T C -0.559 174.104 174.700 -0.062 0.000 0.992 106 T CA -0.549 61.527 62.100 -0.039 0.000 0.954 106 T CB 0.503 69.344 68.868 -0.046 0.000 0.934 106 T HN 0.251 nan 8.240 nan 0.000 0.440 107 I N 3.193 123.713 120.570 -0.084 0.000 2.339 107 I HA 0.614 4.784 4.170 0.000 0.000 0.290 107 I C 0.356 176.430 176.117 -0.072 0.000 0.994 107 I CA -1.013 60.230 61.300 -0.096 0.000 1.191 107 I CB 0.728 38.665 38.000 -0.104 0.000 1.343 107 I HN 0.666 nan 8.210 nan 0.000 0.458 108 A N 5.405 128.195 122.820 -0.051 0.000 2.337 108 A HA 0.944 5.264 4.320 0.000 0.000 0.329 108 A C -0.465 177.109 177.584 -0.017 0.000 1.146 108 A CA -0.524 51.489 52.037 -0.040 0.000 0.800 108 A CB 1.561 20.544 19.000 -0.028 0.000 1.220 108 A HN 0.822 nan 8.150 nan 0.000 0.472 109 A N 1.193 123.998 122.820 -0.024 0.000 2.393 109 A HA 0.689 5.009 4.320 0.000 0.000 0.306 109 A C -1.380 176.212 177.584 0.014 0.000 1.050 109 A CA -0.417 51.624 52.037 0.008 0.000 0.724 109 A CB 1.237 20.210 19.000 -0.044 0.000 1.248 109 A HN 1.584 nan 8.150 nan 0.000 0.424 110 L N 3.027 124.296 121.223 0.078 0.000 2.325 110 L HA 0.729 5.069 4.340 0.000 0.000 0.281 110 L C -1.276 175.695 176.870 0.170 0.000 1.004 110 L CA -0.254 54.640 54.840 0.090 0.000 0.823 110 L CB 1.046 43.159 42.059 0.090 0.000 1.236 110 L HN 0.620 nan 8.230 nan 0.000 0.415 111 L N 4.062 125.398 121.223 0.188 0.000 2.334 111 L HA 0.764 5.104 4.340 0.000 0.000 0.276 111 L C -0.021 177.215 176.870 0.610 0.000 1.014 111 L CA -0.420 54.649 54.840 0.381 0.000 0.815 111 L CB 1.834 44.073 42.059 0.300 0.000 1.268 111 L HN 0.601 nan 8.230 nan 0.000 0.428 112 S N 1.062 117.113 115.700 0.585 0.000 2.627 112 S HA 0.442 4.912 4.470 0.000 0.000 0.283 112 S C -2.129 172.427 174.600 -0.073 0.000 1.127 112 S CA -0.888 57.488 58.200 0.293 0.000 0.863 112 S CB 2.445 65.749 63.200 0.173 0.000 1.121 112 S HN 0.346 nan 8.310 nan 0.000 0.479 113 P HA -0.073 nan 4.420 nan 0.000 0.216 113 P C 0.089 177.235 177.300 -0.257 0.000 1.153 113 P CA 1.463 64.124 63.100 -0.733 0.000 0.858 113 P CB 0.058 31.470 31.700 -0.480 0.000 0.789 114 Y N -1.938 118.303 120.300 -0.099 0.000 2.636 114 Y HA 0.474 5.024 4.550 0.000 0.000 0.260 114 Y C 0.706 176.671 175.900 0.110 0.000 1.177 114 Y CA -0.076 57.996 58.100 -0.047 0.000 1.209 114 Y CB 0.463 38.810 38.460 -0.187 0.000 1.166 114 Y HN -0.161 nan 8.280 nan 0.000 0.531 115 S N 0.008 115.918 115.700 0.350 0.000 2.552 115 S HA 0.641 5.111 4.470 0.000 0.000 0.272 115 S C -1.946 172.842 174.600 0.314 0.000 1.150 115 S CA -0.545 57.826 58.200 0.285 0.000 0.849 115 S CB 0.837 64.117 63.200 0.134 0.000 1.113 115 S HN 0.191 nan 8.310 nan 0.000 0.458 116 Y N 0.082 120.430 120.300 0.081 0.000 2.581 116 Y HA 0.808 5.358 4.550 -0.000 0.000 0.337 116 Y C -0.839 175.073 175.900 0.020 0.000 1.108 116 Y CA -0.718 57.410 58.100 0.047 0.000 1.033 116 Y CB 0.983 39.446 38.460 0.005 0.000 1.318 116 Y HN 0.712 nan 8.280 nan 0.000 0.459 117 S N 1.158 116.984 115.700 0.211 0.000 2.568 117 S HA 0.835 5.306 4.470 0.000 0.000 0.293 117 S C -1.060 173.652 174.600 0.187 0.000 1.089 117 S CA -0.542 57.722 58.200 0.106 0.000 0.945 117 S CB 1.995 65.227 63.200 0.053 0.000 1.077 117 S HN 1.141 nan 8.310 nan 0.000 0.485 118 T N 0.906 115.543 114.554 0.138 0.000 2.952 118 T HA 0.729 5.079 4.350 0.000 0.000 0.305 118 T C -0.951 173.782 174.700 0.054 0.000 1.064 118 T CA -0.162 62.005 62.100 0.111 0.000 1.008 118 T CB 1.613 70.574 68.868 0.154 0.000 1.078 118 T HN 1.241 nan 8.240 nan 0.000 0.459 119 T N 1.413 115.981 114.554 0.022 0.000 2.909 119 T HA 0.806 5.156 4.350 0.000 0.000 0.299 119 T C -0.876 173.808 174.700 -0.026 0.000 1.073 119 T CA -0.608 61.494 62.100 0.002 0.000 0.999 119 T CB 1.561 70.432 68.868 0.004 0.000 1.098 119 T HN 0.933 nan 8.240 nan 0.000 0.477 120 A N 2.717 125.516 122.820 -0.036 0.000 2.288 120 A HA 0.711 5.031 4.320 0.000 0.000 0.320 120 A C -0.437 177.120 177.584 -0.045 0.000 1.217 120 A CA -0.711 51.289 52.037 -0.063 0.000 0.840 120 A CB 0.970 19.920 19.000 -0.084 0.000 1.179 120 A HN 0.926 nan 8.150 nan 0.000 0.504 121 V N 4.086 123.969 119.914 -0.051 0.000 2.311 121 V HA 0.312 4.432 4.120 0.000 0.000 0.275 121 V C -0.213 175.824 176.094 -0.094 0.000 1.022 121 V CA -0.427 61.840 62.300 -0.056 0.000 0.830 121 V CB 1.092 32.887 31.823 -0.046 0.000 1.012 121 V HN 0.610 nan 8.190 nan 0.000 0.452 122 V N 5.295 125.137 119.914 -0.119 0.000 2.394 122 V HA 0.722 4.842 4.120 0.000 0.000 0.282 122 V C 0.465 176.448 176.094 -0.185 0.000 1.031 122 V CA -0.088 62.070 62.300 -0.237 0.000 0.881 122 V CB 1.704 33.376 31.823 -0.253 0.000 0.982 122 V HN 1.033 nan 8.190 nan 0.000 0.451 123 T N 0.000 114.429 114.554 -0.208 0.000 3.816 123 T HA 0.000 4.350 4.350 0.000 0.000 0.228 123 T CA 0.000 62.022 62.100 -0.129 0.000 1.349 123 T CB 0.000 68.818 68.868 -0.083 0.000 0.612 123 T HN 0.000 nan 8.240 nan 0.000 0.658