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 1dvx_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 0.000 175.005 174.990 0.025 0.000 1.270 10 C CA 0.000 59.032 59.018 0.024 0.000 1.963 10 C CB 0.000 27.772 27.740 0.054 0.000 2.134 11 P HA 0.108 nan 4.420 nan 0.000 0.231 11 P C 0.102 177.430 177.300 0.047 0.000 1.168 11 P CA 0.551 63.716 63.100 0.108 0.000 0.779 11 P CB 0.483 32.333 31.700 0.250 0.000 0.844 12 L N 0.143 121.264 121.223 -0.170 0.000 2.376 12 L HA 0.607 4.947 4.340 0.001 0.000 0.275 12 L C -0.924 175.847 176.870 -0.165 0.000 0.987 12 L CA -0.742 53.964 54.840 -0.223 0.000 0.828 12 L CB 1.907 43.621 42.059 -0.574 0.000 1.249 12 L HN -0.215 nan 8.230 nan 0.000 0.409 13 M N 5.147 124.666 119.600 -0.134 0.000 2.518 13 M HA 0.634 5.114 4.480 0.001 0.000 0.300 13 M C -1.898 174.287 176.300 -0.192 0.000 1.175 13 M CA -0.619 54.555 55.300 -0.210 0.000 0.890 13 M CB 2.326 34.786 32.600 -0.233 0.000 1.710 13 M HN 0.379 nan 8.290 nan 0.000 0.453 14 V N 3.839 123.616 119.914 -0.228 0.000 2.540 14 V HA 0.558 4.678 4.120 0.001 0.000 0.302 14 V C -0.678 175.306 176.094 -0.184 0.000 1.035 14 V CA -0.823 61.373 62.300 -0.173 0.000 0.873 14 V CB 2.156 33.893 31.823 -0.144 0.000 0.992 14 V HN 0.816 nan 8.190 nan 0.000 0.428 15 K N 3.202 123.517 120.400 -0.142 0.000 2.426 15 K HA 0.796 5.117 4.320 0.001 0.000 0.254 15 K C -1.806 174.727 176.600 -0.112 0.000 0.936 15 K CA -0.472 55.742 56.287 -0.122 0.000 0.801 15 K CB 2.163 34.606 32.500 -0.095 0.000 1.139 15 K HN 0.498 nan 8.250 nan 0.000 0.424 16 V N 5.375 125.212 119.914 -0.128 0.000 2.487 16 V HA 0.475 4.595 4.120 0.001 0.000 0.298 16 V C -0.720 175.283 176.094 -0.152 0.000 1.028 16 V CA -1.025 61.181 62.300 -0.158 0.000 0.860 16 V CB 1.438 33.120 31.823 -0.235 0.000 0.991 16 V HN 0.608 nan 8.190 nan 0.000 0.427 17 L N 3.004 124.160 121.223 -0.113 0.000 2.333 17 L HA 0.661 5.001 4.340 0.001 0.000 0.269 17 L C -0.366 176.471 176.870 -0.055 0.000 1.010 17 L CA -0.301 54.497 54.840 -0.070 0.000 0.818 17 L CB 1.956 44.006 42.059 -0.015 0.000 1.306 17 L HN 0.653 nan 8.230 nan 0.000 0.430 18 D N 0.908 121.307 120.400 -0.003 0.000 2.392 18 D HA 0.424 5.064 4.640 0.001 0.000 0.228 18 D C 0.434 176.841 176.300 0.179 0.000 1.074 18 D CA -0.320 53.743 54.000 0.105 0.000 0.838 18 D CB 2.100 42.976 40.800 0.126 0.000 1.067 18 D HN 0.626 nan 8.370 nan 0.000 0.511 19 A N 3.328 126.295 122.820 0.246 0.000 2.167 19 A HA 0.034 4.354 4.320 0.001 0.000 0.214 19 A C 1.854 179.561 177.584 0.204 0.000 1.151 19 A CA 0.427 52.581 52.037 0.195 0.000 0.735 19 A CB 0.172 19.280 19.000 0.180 0.000 0.802 19 A HN 0.481 nan 8.150 nan 0.000 0.467 20 V N -0.457 119.636 119.914 0.299 0.000 2.500 20 V HA -0.068 4.052 4.120 0.001 0.000 0.243 20 V C 2.294 178.501 176.094 0.189 0.000 1.039 20 V CA 1.612 64.062 62.300 0.249 0.000 1.053 20 V CB -0.496 31.540 31.823 0.355 0.000 0.695 20 V HN 0.521 nan 8.190 nan 0.000 0.463 21 R N -0.041 120.579 120.500 0.199 0.000 2.334 21 R HA 0.288 4.628 4.340 0.001 0.000 0.212 21 R C 1.351 177.711 176.300 0.101 0.000 0.897 21 R CA 0.620 56.802 56.100 0.137 0.000 1.056 21 R CB 0.447 30.829 30.300 0.135 0.000 1.046 21 R HN 0.514 nan 8.270 nan 0.000 0.513 22 G N 2.263 111.126 108.800 0.104 0.000 2.314 22 G HA2 -0.288 3.672 3.960 0.001 0.000 0.292 22 G HA3 -0.288 3.672 3.960 0.001 0.000 0.292 22 G C -0.130 174.805 174.900 0.059 0.000 1.059 22 G CA 0.621 45.765 45.100 0.074 0.000 0.982 22 G HN 0.453 nan 8.290 nan 0.000 0.505 23 S N -1.869 113.869 115.700 0.062 0.000 2.638 23 S HA 0.872 5.342 4.470 0.001 0.000 0.274 23 S C -3.218 171.396 174.600 0.023 0.000 1.157 23 S CA -1.581 56.645 58.200 0.043 0.000 0.826 23 S CB 2.919 66.149 63.200 0.051 0.000 1.139 23 S HN 0.063 nan 8.310 nan 0.000 0.474 24 P HA 0.379 nan 4.420 nan 0.000 0.272 24 P C -1.084 176.184 177.300 -0.054 0.000 1.223 24 P CA -0.172 62.910 63.100 -0.030 0.000 0.784 24 P CB 0.351 32.038 31.700 -0.021 0.000 0.923 25 A N 3.913 126.636 122.820 -0.161 0.000 2.391 25 A HA 0.388 4.709 4.320 0.001 0.000 0.316 25 A C 0.111 177.570 177.584 -0.209 0.000 1.381 25 A CA -0.446 51.386 52.037 -0.342 0.000 0.998 25 A CB -0.858 17.680 19.000 -0.769 0.000 1.147 25 A HN 0.442 nan 8.150 nan 0.000 0.545 26 I N 1.981 122.539 120.570 -0.021 0.000 2.532 26 I HA 0.163 4.333 4.170 0.001 0.000 0.292 26 I C 0.326 176.464 176.117 0.035 0.000 1.014 26 I CA -0.531 60.772 61.300 0.004 0.000 1.340 26 I CB 0.643 38.661 38.000 0.031 0.000 1.422 26 I HN 0.719 nan 8.210 nan 0.000 0.528 27 N N 2.197 120.895 118.700 -0.003 0.000 2.725 27 N HA -0.136 4.604 4.740 0.001 0.000 0.249 27 N C -0.799 174.715 175.510 0.007 0.000 1.103 27 N CA 0.349 53.402 53.050 0.005 0.000 0.707 27 N CB -1.073 37.429 38.487 0.025 0.000 1.043 27 N HN 0.270 nan 8.380 nan 0.000 0.553 28 V N 0.622 120.504 119.914 -0.053 0.000 2.461 28 V HA 0.524 4.644 4.120 0.001 0.000 0.275 28 V C 1.038 177.092 176.094 -0.066 0.000 1.047 28 V CA -0.720 61.533 62.300 -0.079 0.000 0.955 28 V CB 1.500 33.184 31.823 -0.232 0.000 0.988 28 V HN 0.369 nan 8.190 nan 0.000 0.471 29 A N 5.498 128.305 122.820 -0.022 0.000 2.450 29 A HA 0.603 4.923 4.320 0.001 0.000 0.255 29 A C -0.348 177.218 177.584 -0.030 0.000 1.096 29 A CA -0.158 51.865 52.037 -0.024 0.000 0.778 29 A CB 0.372 19.415 19.000 0.072 0.000 1.031 29 A HN 0.697 nan 8.150 nan 0.000 0.494 30 V N 3.988 123.822 119.914 -0.133 0.000 2.588 30 V HA 0.388 4.508 4.120 0.001 0.000 0.304 30 V C -0.922 175.008 176.094 -0.275 0.000 1.042 30 V CA -0.509 61.721 62.300 -0.117 0.000 0.877 30 V CB 1.637 33.383 31.823 -0.128 0.000 0.996 30 V HN 0.993 nan 8.190 nan 0.000 0.425 31 H N 2.041 121.036 119.070 -0.126 0.000 2.529 31 H HA 0.730 5.287 4.556 0.001 0.000 0.348 31 H C -0.649 174.479 175.328 -0.334 0.000 1.079 31 H CA -0.497 55.391 56.048 -0.268 0.000 1.198 31 H CB 2.056 31.663 29.762 -0.257 0.000 1.521 31 H HN 0.440 nan 8.280 nan 0.000 0.514 32 V N 4.460 124.173 119.914 -0.334 0.000 2.513 32 V HA 0.439 4.560 4.120 0.001 0.000 0.299 32 V C -0.720 175.183 176.094 -0.319 0.000 1.035 32 V CA -0.676 61.540 62.300 -0.139 0.000 0.889 32 V CB 0.804 32.696 31.823 0.114 0.000 0.988 32 V HN 0.539 nan 8.190 nan 0.000 0.440 33 F N 2.543 122.584 119.950 0.151 0.000 2.593 33 F HA 0.750 5.278 4.527 0.001 0.000 0.320 33 F C 0.097 176.008 175.800 0.185 0.000 1.060 33 F CA -0.857 57.262 58.000 0.199 0.000 0.940 33 F CB 1.983 41.042 39.000 0.098 0.000 1.268 33 F HN 0.326 nan 8.300 nan 0.000 0.475 34 R N 1.628 122.342 120.500 0.356 0.000 2.599 34 R HA 0.405 4.745 4.340 0.001 0.000 0.295 34 R C -1.065 175.261 176.300 0.043 0.000 0.963 34 R CA -0.930 55.101 56.100 -0.115 0.000 0.883 34 R CB 1.655 31.693 30.300 -0.436 0.000 1.171 34 R HN 0.731 nan 8.270 nan 0.000 0.450 35 K N 3.016 123.278 120.400 -0.231 0.000 2.383 35 K HA 0.271 4.592 4.320 0.001 0.000 0.286 35 K C -0.574 175.822 176.600 -0.339 0.000 1.051 35 K CA -0.095 55.861 56.287 -0.552 0.000 0.974 35 K CB 0.988 32.975 32.500 -0.855 0.000 0.968 35 K HN 0.657 nan 8.250 nan 0.000 0.475 36 A N 3.578 126.242 122.820 -0.261 0.000 2.259 36 A HA 0.449 4.769 4.320 0.001 0.000 0.278 36 A C 1.194 178.672 177.584 -0.177 0.000 1.107 36 A CA 0.315 52.255 52.037 -0.162 0.000 0.828 36 A CB 0.365 19.310 19.000 -0.092 0.000 1.111 36 A HN 0.954 nan 8.150 nan 0.000 0.498 37 A N 0.124 122.871 122.820 -0.121 0.000 1.986 37 A HA -0.148 4.172 4.320 0.001 0.000 0.220 37 A C 1.291 178.806 177.584 -0.115 0.000 1.171 37 A CA 1.985 53.956 52.037 -0.109 0.000 0.640 37 A CB -0.603 18.353 19.000 -0.073 0.000 0.811 37 A HN 0.859 nan 8.150 nan 0.000 0.451 38 D N -1.211 119.121 120.400 -0.113 0.000 2.434 38 D HA 0.031 4.671 4.640 0.001 0.000 0.232 38 D C -0.645 175.565 176.300 -0.150 0.000 1.166 38 D CA 0.426 54.362 54.000 -0.108 0.000 0.830 38 D CB -0.555 40.198 40.800 -0.078 0.000 0.960 38 D HN 0.369 nan 8.370 nan 0.000 0.497 39 D N -0.227 120.046 120.400 -0.212 0.000 2.911 39 D HA -0.134 4.507 4.640 0.001 0.000 0.227 39 D C -0.574 175.504 176.300 -0.370 0.000 1.164 39 D CA 0.932 54.751 54.000 -0.302 0.000 0.782 39 D CB -1.640 39.027 40.800 -0.221 0.000 1.094 39 D HN 0.304 nan 8.370 nan 0.000 0.425 40 T N -0.312 114.050 114.554 -0.321 0.000 2.888 40 T HA 0.410 4.761 4.350 0.001 0.000 0.284 40 T C 0.074 174.604 174.700 -0.282 0.000 1.017 40 T CA -0.452 61.494 62.100 -0.256 0.000 1.022 40 T CB 1.021 69.829 68.868 -0.100 0.000 1.013 40 T HN 0.045 nan 8.240 nan 0.000 0.465 41 W N 3.416 124.674 121.300 -0.071 0.000 2.387 41 W HA 0.340 5.000 4.660 -0.001 0.000 0.310 41 W C 0.708 177.272 176.519 0.075 0.000 1.181 41 W CA -0.781 56.533 57.345 -0.051 0.000 1.333 41 W CB 0.318 29.636 29.460 -0.236 0.000 1.286 41 W HN 0.630 nan 8.180 nan 0.000 0.455 42 E N 4.194 124.626 120.200 0.387 0.000 2.191 42 E HA 0.463 4.813 4.350 0.001 0.000 0.278 42 E C -2.532 174.355 176.600 0.479 0.000 0.972 42 E CA -2.615 53.993 56.400 0.347 0.000 0.804 42 E CB 1.289 31.107 29.700 0.197 0.000 1.110 42 E HN 0.051 nan 8.360 nan 0.000 0.394 43 P HA -0.092 nan 4.420 nan 0.000 0.264 43 P C -1.146 176.261 177.300 0.178 0.000 1.183 43 P CA 0.265 63.477 63.100 0.187 0.000 0.763 43 P CB 0.203 31.980 31.700 0.128 0.000 0.807 44 F N 3.186 123.085 119.950 -0.085 0.000 2.581 44 F HA 0.587 5.114 4.527 0.000 0.000 0.278 44 F C 0.152 175.923 175.800 -0.049 0.000 1.000 44 F CA 0.634 58.638 58.000 0.007 0.000 1.230 44 F CB 0.414 39.488 39.000 0.123 0.000 1.008 44 F HN 0.393 nan 8.300 nan 0.000 0.695 45 A N -0.333 122.419 122.820 -0.113 0.000 2.567 45 A HA 0.647 4.967 4.320 0.001 0.000 0.291 45 A C -1.145 176.306 177.584 -0.223 0.000 1.048 45 A CA 0.058 51.967 52.037 -0.214 0.000 0.661 45 A CB 0.504 19.374 19.000 -0.216 0.000 1.288 45 A HN 0.574 nan 8.150 nan 0.000 0.424 46 S N -0.782 114.768 115.700 -0.250 0.000 2.587 46 S HA 0.979 5.449 4.470 0.001 0.000 0.269 46 S C -0.205 174.226 174.600 -0.281 0.000 1.154 46 S CA 0.079 58.061 58.200 -0.363 0.000 0.824 46 S CB 1.092 63.955 63.200 -0.562 0.000 1.118 46 S HN 2.744 nan 8.310 nan 0.000 0.462 47 G N 0.392 109.012 108.800 -0.300 0.000 2.340 47 G HA2 0.554 4.514 3.960 0.001 0.000 0.299 47 G HA3 0.554 4.514 3.960 0.001 0.000 0.299 47 G C -2.384 172.413 174.900 -0.172 0.000 1.291 47 G CA -0.908 44.075 45.100 -0.194 0.000 0.841 47 G HN 0.727 nan 8.290 nan 0.000 0.500 48 K N 0.427 120.759 120.400 -0.113 0.000 2.422 48 K HA 0.593 4.913 4.320 0.001 0.000 0.251 48 K C -0.035 176.521 176.600 -0.074 0.000 0.933 48 K CA -0.663 55.571 56.287 -0.088 0.000 0.798 48 K CB 2.164 34.628 32.500 -0.060 0.000 1.238 48 K HN 0.834 nan 8.250 nan 0.000 0.428 49 T N -0.767 113.739 114.554 -0.081 0.000 2.932 49 T HA 0.069 4.419 4.350 0.001 0.000 0.312 49 T C 0.832 175.506 174.700 -0.042 0.000 1.071 49 T CA -0.596 61.461 62.100 -0.073 0.000 1.128 49 T CB 0.775 69.579 68.868 -0.106 0.000 0.984 49 T HN 0.584 nan 8.240 nan 0.000 0.549 50 S N 1.690 117.379 115.700 -0.019 0.000 2.607 50 S HA 0.251 4.721 4.470 0.001 0.000 0.272 50 S C 1.170 175.765 174.600 -0.008 0.000 1.166 50 S CA -0.869 57.328 58.200 -0.005 0.000 1.021 50 S CB 0.366 63.577 63.200 0.018 0.000 1.113 50 S HN 0.730 nan 8.310 nan 0.000 0.531 51 E N 0.949 121.148 120.200 -0.002 0.000 2.265 51 E HA -0.081 4.270 4.350 0.001 0.000 0.196 51 E C 1.959 178.559 176.600 -0.000 0.000 0.996 51 E CA 1.394 57.794 56.400 -0.001 0.000 0.832 51 E CB -0.541 29.159 29.700 -0.001 0.000 0.756 51 E HN 0.756 nan 8.360 nan 0.000 0.491 52 S N -0.942 114.761 115.700 0.005 0.000 2.605 52 S HA 0.261 4.731 4.470 0.001 0.000 0.217 52 S C 1.479 176.076 174.600 -0.006 0.000 0.958 52 S CA 0.445 58.650 58.200 0.008 0.000 0.919 52 S CB 0.266 63.481 63.200 0.026 0.000 0.780 52 S HN 0.262 nan 8.310 nan 0.000 0.507 53 G N 0.753 109.538 108.800 -0.024 0.000 2.153 53 G HA2 -0.242 3.718 3.960 0.001 0.000 0.252 53 G HA3 -0.242 3.718 3.960 0.001 0.000 0.252 53 G C -0.295 174.563 174.900 -0.071 0.000 0.994 53 G CA 0.362 45.424 45.100 -0.063 0.000 0.698 53 G HN 0.645 nan 8.290 nan 0.000 0.521 54 E N -1.100 119.080 120.200 -0.033 0.000 2.235 54 E HA 0.725 5.076 4.350 0.001 0.000 0.265 54 E C -0.901 175.658 176.600 -0.068 0.000 0.940 54 E CA -1.158 55.200 56.400 -0.071 0.000 0.819 54 E CB 2.264 31.975 29.700 0.018 0.000 1.206 54 E HN 0.202 nan 8.360 nan 0.000 0.409 55 L N 2.279 123.380 121.223 -0.204 0.000 2.406 55 L HA 0.364 4.704 4.340 0.001 0.000 0.270 55 L C -1.578 175.138 176.870 -0.256 0.000 0.982 55 L CA -0.244 54.511 54.840 -0.141 0.000 0.843 55 L CB 0.652 42.627 42.059 -0.138 0.000 1.225 55 L HN 0.552 nan 8.230 nan 0.000 0.412 56 H N 2.583 121.611 119.070 -0.071 0.000 2.693 56 H HA 0.749 5.306 4.556 0.001 0.000 0.348 56 H C 0.819 176.102 175.328 -0.075 0.000 1.222 56 H CA -0.291 55.716 56.048 -0.067 0.000 1.270 56 H CB 1.470 31.200 29.762 -0.054 0.000 1.798 56 H HN 0.739 nan 8.280 nan 0.000 0.592 57 G N 0.282 109.122 108.800 0.067 0.000 2.249 57 G HA2 -0.280 3.681 3.960 0.001 0.000 0.273 57 G HA3 -0.280 3.681 3.960 0.001 0.000 0.273 57 G C 0.678 175.543 174.900 -0.057 0.000 1.036 57 G CA 0.687 45.785 45.100 -0.004 0.000 0.824 57 G HN 0.518 nan 8.290 nan 0.000 0.504 58 L N -1.378 119.794 121.223 -0.085 0.000 2.156 58 L HA 0.219 4.559 4.340 0.001 0.000 0.208 58 L C 1.715 178.501 176.870 -0.140 0.000 1.095 58 L CA 1.792 56.561 54.840 -0.117 0.000 0.770 58 L CB 0.099 42.087 42.059 -0.120 0.000 0.914 58 L HN 0.509 nan 8.230 nan 0.000 0.439 59 T N -2.246 112.237 114.554 -0.118 0.000 2.665 59 T HA 0.397 4.747 4.350 0.001 0.000 0.303 59 T C -0.979 173.701 174.700 -0.034 0.000 1.334 59 T CA -0.137 61.908 62.100 -0.093 0.000 1.011 59 T CB 1.614 70.490 68.868 0.012 0.000 1.573 59 T HN 0.131 nan 8.240 nan 0.000 0.492 60 T N -0.954 113.623 114.554 0.039 0.000 2.916 60 T HA 0.561 4.912 4.350 0.001 0.000 0.292 60 T C 0.779 175.574 174.700 0.159 0.000 1.064 60 T CA -0.665 61.477 62.100 0.069 0.000 1.011 60 T CB 1.705 70.604 68.868 0.052 0.000 1.152 60 T HN 0.631 nan 8.240 nan 0.000 0.510 61 E N -0.011 120.279 120.200 0.150 0.000 2.153 61 E HA -0.162 4.189 4.350 0.001 0.000 0.194 61 E C 1.665 178.377 176.600 0.186 0.000 0.988 61 E CA 1.059 57.577 56.400 0.197 0.000 0.811 61 E CB 0.020 29.805 29.700 0.142 0.000 0.746 61 E HN 0.761 nan 8.360 nan 0.000 0.466 62 E N 1.135 121.420 120.200 0.141 0.000 2.072 62 E HA -0.211 4.140 4.350 0.001 0.000 0.191 62 E C 1.973 178.670 176.600 0.161 0.000 0.985 62 E CA 1.272 57.745 56.400 0.122 0.000 0.801 62 E CB 0.019 29.769 29.700 0.084 0.000 0.750 62 E HN 0.216 nan 8.360 nan 0.000 0.452 63 Q N -1.098 118.824 119.800 0.203 0.000 2.187 63 Q HA -0.072 4.268 4.340 0.001 0.000 0.199 63 Q C 0.094 176.391 176.000 0.494 0.000 0.957 63 Q CA 0.280 56.252 55.803 0.282 0.000 0.857 63 Q CB -0.066 28.790 28.738 0.196 0.000 0.929 63 Q HN 0.252 nan 8.270 nan 0.000 0.453 64 F N 3.649 123.757 119.950 0.263 0.000 2.661 64 F HA 0.180 4.707 4.527 0.000 0.000 0.356 64 F C -0.131 175.739 175.800 0.117 0.000 1.244 64 F CA -1.245 56.870 58.000 0.191 0.000 1.290 64 F CB -0.432 38.613 39.000 0.074 0.000 1.677 64 F HN -0.086 nan 8.300 nan 0.000 0.649 65 V N 0.661 120.629 119.914 0.090 0.000 3.214 65 V HA 0.364 4.484 4.120 0.001 0.000 0.306 65 V C 0.457 176.471 176.094 -0.133 0.000 1.078 65 V CA -1.211 61.074 62.300 -0.025 0.000 1.077 65 V CB 0.607 32.456 31.823 0.044 0.000 1.121 65 V HN 0.432 nan 8.190 nan 0.000 0.468 66 E N 0.955 121.089 120.200 -0.110 0.000 2.467 66 E HA 0.456 4.807 4.350 0.001 0.000 0.264 66 E C 0.370 176.915 176.600 -0.092 0.000 1.020 66 E CA 0.935 57.271 56.400 -0.106 0.000 0.945 66 E CB 0.395 30.056 29.700 -0.064 0.000 0.942 66 E HN 1.248 nan 8.360 nan 0.000 0.449 67 G N 1.152 109.893 108.800 -0.099 0.000 2.341 67 G HA2 0.201 4.162 3.960 0.001 0.000 0.293 67 G HA3 0.201 4.162 3.960 0.001 0.000 0.293 67 G C -1.384 173.363 174.900 -0.254 0.000 1.298 67 G CA -1.094 43.868 45.100 -0.230 0.000 0.868 67 G HN 0.384 nan 8.290 nan 0.000 0.540 68 I N 0.758 121.109 120.570 -0.364 0.000 2.336 68 I HA 0.488 4.659 4.170 0.001 0.000 0.292 68 I C -0.806 175.111 176.117 -0.335 0.000 0.991 68 I CA -0.636 60.522 61.300 -0.237 0.000 1.227 68 I CB 1.265 39.188 38.000 -0.127 0.000 1.366 68 I HN 0.398 nan 8.210 nan 0.000 0.466 69 Y N 4.630 124.723 120.300 -0.346 0.000 2.509 69 Y HA 0.508 5.058 4.550 0.001 0.000 0.341 69 Y C -0.063 175.687 175.900 -0.251 0.000 1.038 69 Y CA -0.942 56.972 58.100 -0.310 0.000 1.089 69 Y CB 1.868 39.945 38.460 -0.639 0.000 1.241 69 Y HN 0.386 nan 8.280 nan 0.000 0.468 70 K N 1.609 121.984 120.400 -0.042 0.000 2.463 70 K HA 0.693 5.013 4.320 0.001 0.000 0.255 70 K C -2.126 174.506 176.600 0.054 0.000 0.942 70 K CA -0.543 55.623 56.287 -0.201 0.000 0.814 70 K CB 1.230 33.160 32.500 -0.949 0.000 1.122 70 K HN 0.520 nan 8.250 nan 0.000 0.425 71 V N 4.099 124.084 119.914 0.118 0.000 2.347 71 V HA 0.269 4.389 4.120 0.001 0.000 0.280 71 V C -0.402 175.715 176.094 0.039 0.000 1.021 71 V CA -0.604 61.762 62.300 0.111 0.000 0.847 71 V CB 1.158 33.065 31.823 0.141 0.000 0.990 71 V HN 0.825 nan 8.190 nan 0.000 0.444 72 E N 5.224 125.450 120.200 0.044 0.000 2.145 72 E HA 0.541 4.892 4.350 0.001 0.000 0.270 72 E C -1.182 175.408 176.600 -0.016 0.000 0.906 72 E CA -0.607 55.775 56.400 -0.031 0.000 0.761 72 E CB 1.279 30.956 29.700 -0.039 0.000 1.116 72 E HN 0.657 nan 8.360 nan 0.000 0.408 73 I N 3.899 124.436 120.570 -0.055 0.000 2.330 73 I HA 0.111 4.281 4.170 0.001 0.000 0.289 73 I C -0.144 175.970 176.117 -0.005 0.000 1.001 73 I CA -0.735 60.532 61.300 -0.055 0.000 1.193 73 I CB 1.286 39.209 38.000 -0.128 0.000 1.345 73 I HN 0.502 nan 8.210 nan 0.000 0.461 74 D N 5.033 125.454 120.400 0.035 0.000 2.541 74 D HA -0.019 4.621 4.640 0.001 0.000 0.231 74 D C 1.517 177.859 176.300 0.070 0.000 1.163 74 D CA 0.041 54.091 54.000 0.084 0.000 1.077 74 D CB 0.540 41.399 40.800 0.099 0.000 1.110 74 D HN 0.673 nan 8.370 nan 0.000 0.499 75 T N -0.055 114.548 114.554 0.081 0.000 2.904 75 T HA -0.154 4.196 4.350 0.001 0.000 0.267 75 T C 1.825 176.670 174.700 0.242 0.000 1.059 75 T CA 0.760 62.925 62.100 0.107 0.000 1.137 75 T CB -0.039 68.925 68.868 0.160 0.000 0.879 75 T HN 0.275 nan 8.240 nan 0.000 0.467 76 K N 1.147 121.685 120.400 0.230 0.000 2.009 76 K HA -0.121 4.199 4.320 0.001 0.000 0.210 76 K C 2.601 179.312 176.600 0.185 0.000 1.049 76 K CA 1.731 58.154 56.287 0.226 0.000 0.929 76 K CB -0.417 32.161 32.500 0.129 0.000 0.714 76 K HN 0.344 nan 8.250 nan 0.000 0.440 77 S N -0.042 115.736 115.700 0.130 0.000 2.383 77 S HA -0.185 4.286 4.470 0.001 0.000 0.229 77 S C 1.586 176.227 174.600 0.069 0.000 1.030 77 S CA 1.342 59.596 58.200 0.090 0.000 1.002 77 S CB -0.477 62.769 63.200 0.077 0.000 0.829 77 S HN 0.421 nan 8.310 nan 0.000 0.467 78 Y N 0.789 121.043 120.300 -0.076 0.000 2.114 78 Y HA -0.189 4.361 4.550 0.000 0.000 0.284 78 Y C 1.869 177.645 175.900 -0.207 0.000 1.143 78 Y CA 1.313 59.282 58.100 -0.218 0.000 1.135 78 Y CB -0.608 37.600 38.460 -0.418 0.000 0.980 78 Y HN 0.282 nan 8.280 nan 0.000 0.499 79 W N 0.882 122.182 121.300 0.000 0.000 2.388 79 W HA -0.113 4.547 4.660 -0.000 0.000 0.294 79 W C 2.390 178.855 176.519 -0.089 0.000 1.212 79 W CA 1.094 58.394 57.345 -0.075 0.000 1.271 79 W CB -0.153 29.346 29.460 0.064 0.000 1.126 79 W HN -0.128 nan 8.180 nan 0.000 0.535 80 K N 0.164 120.666 120.400 0.170 0.000 2.097 80 K HA -0.141 4.179 4.320 0.001 0.000 0.206 80 K C 2.148 178.763 176.600 0.024 0.000 1.049 80 K CA 1.395 57.737 56.287 0.092 0.000 0.933 80 K CB -0.594 31.950 32.500 0.073 0.000 0.717 80 K HN 0.140 nan 8.250 nan 0.000 0.442 81 A N 1.127 123.923 122.820 -0.040 0.000 2.070 81 A HA -0.073 4.247 4.320 0.001 0.000 0.220 81 A C 1.839 179.368 177.584 -0.091 0.000 1.159 81 A CA 1.050 53.041 52.037 -0.076 0.000 0.656 81 A CB -0.330 18.598 19.000 -0.121 0.000 0.800 81 A HN 0.182 nan 8.150 nan 0.000 0.453 82 L N -1.563 119.601 121.223 -0.099 0.000 2.607 82 L HA 0.263 4.603 4.340 0.001 0.000 0.228 82 L C 1.478 178.369 176.870 0.035 0.000 1.123 82 L CA 0.430 55.239 54.840 -0.052 0.000 0.890 82 L CB -0.074 41.941 42.059 -0.074 0.000 1.103 82 L HN 0.518 nan 8.230 nan 0.000 0.468 83 G N 1.300 110.127 108.800 0.044 0.000 2.147 83 G HA2 -0.267 3.694 3.960 0.001 0.000 0.244 83 G HA3 -0.267 3.694 3.960 0.001 0.000 0.244 83 G C 0.019 174.966 174.900 0.077 0.000 1.005 83 G CA -0.091 45.041 45.100 0.053 0.000 0.713 83 G HN 0.307 nan 8.290 nan 0.000 0.515 84 I N 1.532 122.176 120.570 0.124 0.000 2.433 84 I HA 0.416 4.586 4.170 0.001 0.000 0.292 84 I C 0.634 176.812 176.117 0.101 0.000 1.001 84 I CA -0.720 60.647 61.300 0.111 0.000 1.119 84 I CB 2.084 40.164 38.000 0.132 0.000 1.289 84 I HN 0.249 nan 8.210 nan 0.000 0.438 85 S N 7.326 123.059 115.700 0.054 0.000 2.400 85 S HA 0.443 4.913 4.470 0.001 0.000 0.295 85 S C -2.131 172.437 174.600 -0.053 0.000 1.113 85 S CA -1.128 57.093 58.200 0.034 0.000 1.064 85 S CB 0.279 63.506 63.200 0.045 0.000 0.990 85 S HN 0.388 nan 8.310 nan 0.000 0.502 86 P HA 0.261 nan 4.420 nan 0.000 0.278 86 P C 0.200 177.300 177.300 -0.334 0.000 1.266 86 P CA -0.706 62.252 63.100 -0.238 0.000 0.807 86 P CB 0.714 32.443 31.700 0.049 0.000 1.094 87 F N 0.484 120.026 119.950 -0.681 0.000 2.188 87 F HA 0.094 4.622 4.527 0.001 0.000 0.289 87 F C 0.963 176.506 175.800 -0.430 0.000 1.082 87 F CA 0.752 58.314 58.000 -0.730 0.000 1.282 87 F CB -0.764 37.621 39.000 -1.025 0.000 1.060 87 F HN 0.273 nan 8.300 nan 0.000 0.493 88 H N 0.818 119.823 119.070 -0.108 0.000 2.629 88 H HA 0.147 4.703 4.556 0.001 0.000 0.357 88 H C 1.238 176.476 175.328 -0.149 0.000 1.121 88 H CA 0.033 56.004 56.048 -0.128 0.000 1.406 88 H CB 0.574 30.436 29.762 0.166 0.000 1.456 88 H HN 0.084 nan 8.280 nan 0.000 0.579 89 E N 1.559 121.666 120.200 -0.154 0.000 2.107 89 E HA -0.064 4.286 4.350 0.001 0.000 0.191 89 E C 0.338 176.878 176.600 -0.101 0.000 0.982 89 E CA 1.125 57.402 56.400 -0.204 0.000 0.809 89 E CB 0.136 29.605 29.700 -0.386 0.000 0.756 89 E HN 0.820 nan 8.360 nan 0.000 0.459 90 H N -3.678 115.434 119.070 0.070 0.000 2.894 90 H HA 0.590 5.146 4.556 0.000 0.000 0.282 90 H C -1.420 173.858 175.328 -0.083 0.000 1.448 90 H CA -0.741 55.310 56.048 0.005 0.000 1.158 90 H CB 0.676 30.430 29.762 -0.014 0.000 1.818 90 H HN -0.053 nan 8.280 nan 0.000 0.493 91 A N 1.030 123.831 122.820 -0.032 0.000 2.318 91 A HA 0.522 4.842 4.320 0.001 0.000 0.324 91 A C -0.562 176.962 177.584 -0.100 0.000 1.170 91 A CA -0.653 51.136 52.037 -0.413 0.000 0.810 91 A CB 1.134 19.532 19.000 -1.004 0.000 1.198 91 A HN 0.601 nan 8.150 nan 0.000 0.484 92 E N 0.928 121.140 120.200 0.020 0.000 2.222 92 E HA 0.548 4.898 4.350 0.001 0.000 0.267 92 E C -1.479 175.168 176.600 0.079 0.000 0.884 92 E CA -0.772 55.653 56.400 0.041 0.000 0.764 92 E CB 2.510 32.250 29.700 0.066 0.000 1.169 92 E HN 0.342 nan 8.360 nan 0.000 0.413 93 V N 3.203 123.165 119.914 0.080 0.000 2.443 93 V HA 0.291 4.411 4.120 0.001 0.000 0.293 93 V C -0.597 175.645 176.094 0.246 0.000 1.021 93 V CA -0.777 61.618 62.300 0.158 0.000 0.848 93 V CB 1.626 33.525 31.823 0.127 0.000 0.998 93 V HN 0.410 nan 8.190 nan 0.000 0.424 94 V N 6.736 126.803 119.914 0.254 0.000 2.448 94 V HA 0.733 4.854 4.120 0.001 0.000 0.295 94 V C -0.482 175.844 176.094 0.386 0.000 1.025 94 V CA -0.482 61.968 62.300 0.251 0.000 0.859 94 V CB 1.253 33.180 31.823 0.174 0.000 0.988 94 V HN 0.817 nan 8.190 nan 0.000 0.431 95 F N 1.226 121.264 119.950 0.146 0.000 2.711 95 F HA 0.778 5.305 4.527 0.001 0.000 0.313 95 F C -0.493 175.390 175.800 0.139 0.000 1.141 95 F CA -1.026 57.050 58.000 0.128 0.000 0.941 95 F CB 1.502 40.565 39.000 0.104 0.000 1.349 95 F HN 0.201 nan 8.300 nan 0.000 0.464 96 T N 1.938 116.598 114.554 0.177 0.000 2.749 96 T HA 0.682 5.033 4.350 0.001 0.000 0.287 96 T C -0.181 174.590 174.700 0.118 0.000 0.970 96 T CA -0.257 61.873 62.100 0.051 0.000 0.980 96 T CB 1.011 69.922 68.868 0.073 0.000 0.924 96 T HN 0.902 nan 8.240 nan 0.000 0.456 97 A N 3.357 126.142 122.820 -0.058 0.000 2.350 97 A HA 0.309 4.629 4.320 0.001 0.000 0.293 97 A C 1.376 178.954 177.584 -0.009 0.000 1.231 97 A CA -0.564 51.381 52.037 -0.153 0.000 0.883 97 A CB -0.123 18.467 19.000 -0.683 0.000 1.133 97 A HN 0.840 nan 8.150 nan 0.000 0.533 98 N N 2.461 121.255 118.700 0.156 0.000 2.135 98 N HA -0.145 4.595 4.740 0.001 0.000 0.186 98 N C 0.353 175.903 175.510 0.067 0.000 1.027 98 N CA 1.502 54.617 53.050 0.107 0.000 0.849 98 N CB -0.044 38.525 38.487 0.136 0.000 1.002 98 N HN 0.782 nan 8.380 nan 0.000 0.425 99 D N -0.781 119.684 120.400 0.108 0.000 2.872 99 D HA -0.140 4.500 4.640 0.001 0.000 0.248 99 D C -1.338 174.992 176.300 0.050 0.000 1.104 99 D CA 0.525 54.565 54.000 0.066 0.000 0.784 99 D CB -1.434 39.368 40.800 0.003 0.000 1.036 99 D HN 0.283 nan 8.370 nan 0.000 0.426 100 S N 0.942 116.674 115.700 0.053 0.000 2.235 100 S HA 0.648 5.119 4.470 0.001 0.000 0.152 100 S C 0.259 174.874 174.600 0.025 0.000 1.649 100 S CA 0.013 58.233 58.200 0.034 0.000 1.277 100 S CB 1.289 64.509 63.200 0.032 0.000 1.299 100 S HN 1.019 nan 8.310 nan 0.000 0.388 101 G N 2.613 111.428 108.800 0.025 0.000 2.539 101 G HA2 0.043 4.003 3.960 0.001 0.000 0.686 101 G HA3 0.043 4.003 3.960 0.001 0.000 0.686 101 G C -3.493 171.417 174.900 0.016 0.000 1.258 101 G CA -1.311 43.799 45.100 0.016 0.000 0.846 101 G HN 0.185 nan 8.290 nan 0.000 0.647 102 P HA 0.270 nan 4.420 nan 0.000 0.256 102 P C -0.102 177.190 177.300 -0.013 0.000 1.189 102 P CA 0.580 63.688 63.100 0.014 0.000 0.808 102 P CB 0.066 31.771 31.700 0.009 0.000 0.793 103 R N 3.515 124.009 120.500 -0.009 0.000 2.532 103 R HA 0.476 4.817 4.340 0.001 0.000 0.297 103 R C -0.231 176.013 176.300 -0.093 0.000 0.984 103 R CA -0.940 55.090 56.100 -0.116 0.000 0.884 103 R CB 2.226 32.391 30.300 -0.226 0.000 1.182 103 R HN 0.237 nan 8.270 nan 0.000 0.442 104 R N 2.519 122.932 120.500 -0.145 0.000 2.460 104 R HA 0.323 4.663 4.340 0.001 0.000 0.303 104 R C -0.932 175.273 176.300 -0.159 0.000 0.968 104 R CA -0.702 55.373 56.100 -0.042 0.000 0.889 104 R CB 1.072 31.360 30.300 -0.021 0.000 1.123 104 R HN 0.528 nan 8.270 nan 0.000 0.455 105 Y N 0.267 120.578 120.300 0.018 0.000 2.331 105 Y HA 0.287 4.837 4.550 0.001 0.000 0.338 105 Y C 0.437 176.276 175.900 -0.101 0.000 0.976 105 Y CA -0.346 57.732 58.100 -0.037 0.000 1.137 105 Y CB 2.041 40.505 38.460 0.006 0.000 1.172 105 Y HN 0.318 nan 8.280 nan 0.000 0.478 106 T N 5.538 120.094 114.554 0.004 0.000 2.791 106 T HA 0.449 4.799 4.350 0.001 0.000 0.288 106 T C -0.459 174.192 174.700 -0.080 0.000 0.999 106 T CA -0.507 61.562 62.100 -0.053 0.000 0.952 106 T CB 0.230 69.063 68.868 -0.059 0.000 0.938 106 T HN 0.259 nan 8.240 nan 0.000 0.444 107 I N 3.647 124.153 120.570 -0.106 0.000 2.307 107 I HA 0.539 4.709 4.170 0.001 0.000 0.289 107 I C 0.484 176.546 176.117 -0.093 0.000 1.021 107 I CA -0.902 60.326 61.300 -0.120 0.000 1.224 107 I CB 0.400 38.318 38.000 -0.137 0.000 1.376 107 I HN 0.621 nan 8.210 nan 0.000 0.470 108 A N 5.686 128.464 122.820 -0.069 0.000 2.324 108 A HA 0.930 5.250 4.320 0.001 0.000 0.330 108 A C -0.365 177.200 177.584 -0.032 0.000 1.165 108 A CA -0.508 51.496 52.037 -0.055 0.000 0.813 108 A CB 1.440 20.416 19.000 -0.041 0.000 1.197 108 A HN 0.791 nan 8.150 nan 0.000 0.484 109 A N 1.456 124.253 122.820 -0.038 0.000 2.398 109 A HA 0.647 4.968 4.320 0.001 0.000 0.301 109 A C -1.334 176.251 177.584 0.002 0.000 1.041 109 A CA -0.408 51.624 52.037 -0.009 0.000 0.711 109 A CB 1.130 20.092 19.000 -0.064 0.000 1.240 109 A HN 1.485 nan 8.150 nan 0.000 0.420 110 L N 3.320 124.582 121.223 0.066 0.000 2.287 110 L HA 0.694 5.035 4.340 0.001 0.000 0.287 110 L C -1.122 175.845 176.870 0.162 0.000 1.022 110 L CA -0.260 54.631 54.840 0.084 0.000 0.814 110 L CB 0.888 42.999 42.059 0.087 0.000 1.217 110 L HN 0.611 nan 8.230 nan 0.000 0.420 111 L N 4.348 125.682 121.223 0.184 0.000 2.317 111 L HA 0.695 5.036 4.340 0.001 0.000 0.281 111 L C 0.014 177.237 176.870 0.589 0.000 1.024 111 L CA -0.374 54.689 54.840 0.372 0.000 0.810 111 L CB 1.671 43.906 42.059 0.294 0.000 1.240 111 L HN 0.603 nan 8.230 nan 0.000 0.427 112 S N 1.689 117.709 115.700 0.533 0.000 2.599 112 S HA 0.448 4.918 4.470 0.001 0.000 0.287 112 S C -2.056 172.499 174.600 -0.076 0.000 1.105 112 S CA -0.952 57.406 58.200 0.263 0.000 0.899 112 S CB 2.468 65.762 63.200 0.156 0.000 1.100 112 S HN 0.350 nan 8.310 nan 0.000 0.482 113 P HA -0.070 nan 4.420 nan 0.000 0.216 113 P C 0.094 177.254 177.300 -0.233 0.000 1.153 113 P CA 1.453 64.088 63.100 -0.775 0.000 0.858 113 P CB 0.063 31.444 31.700 -0.532 0.000 0.789 114 Y N -2.030 118.226 120.300 -0.072 0.000 2.584 114 Y HA 0.456 5.006 4.550 0.001 0.000 0.254 114 Y C 0.742 176.727 175.900 0.140 0.000 1.177 114 Y CA -0.078 58.030 58.100 0.014 0.000 1.216 114 Y CB 0.513 38.885 38.460 -0.148 0.000 1.172 114 Y HN -0.160 nan 8.280 nan 0.000 0.529 115 S N 0.021 115.915 115.700 0.324 0.000 2.547 115 S HA 0.664 5.134 4.470 0.001 0.000 0.270 115 S C -1.953 172.800 174.600 0.255 0.000 1.150 115 S CA -0.516 57.825 58.200 0.235 0.000 0.850 115 S CB 0.934 64.201 63.200 0.111 0.000 1.118 115 S HN 0.178 nan 8.310 nan 0.000 0.461 116 Y N -0.453 119.878 120.300 0.051 0.000 2.552 116 Y HA 0.832 5.382 4.550 0.000 0.000 0.337 116 Y C -1.064 174.843 175.900 0.011 0.000 1.094 116 Y CA -0.863 57.253 58.100 0.027 0.000 1.028 116 Y CB 1.001 39.443 38.460 -0.030 0.000 1.321 116 Y HN 0.456 nan 8.280 nan 0.000 0.456 117 S N 1.442 117.281 115.700 0.232 0.000 2.526 117 S HA 0.759 5.229 4.470 0.001 0.000 0.293 117 S C -1.105 173.604 174.600 0.182 0.000 1.092 117 S CA -0.773 57.504 58.200 0.129 0.000 0.980 117 S CB 1.942 65.183 63.200 0.069 0.000 1.048 117 S HN 0.852 nan 8.310 nan 0.000 0.483 118 T N 1.748 116.387 114.554 0.142 0.000 2.916 118 T HA 0.709 5.059 4.350 0.001 0.000 0.298 118 T C -1.222 173.508 174.700 0.050 0.000 1.031 118 T CA -0.224 61.938 62.100 0.102 0.000 0.993 118 T CB 1.328 70.277 68.868 0.135 0.000 1.045 118 T HN 0.542 nan 8.240 nan 0.000 0.454 119 T N 2.706 117.269 114.554 0.015 0.000 2.903 119 T HA 0.796 5.146 4.350 0.001 0.000 0.299 119 T C -0.999 173.680 174.700 -0.035 0.000 1.093 119 T CA -0.663 61.435 62.100 -0.003 0.000 1.002 119 T CB 1.664 70.531 68.868 -0.002 0.000 1.127 119 T HN 0.884 nan 8.240 nan 0.000 0.488 120 A N 1.650 124.444 122.820 -0.044 0.000 2.331 120 A HA 0.766 5.086 4.320 0.001 0.000 0.320 120 A C -0.776 176.776 177.584 -0.054 0.000 1.138 120 A CA -0.629 51.364 52.037 -0.072 0.000 0.790 120 A CB 0.875 19.818 19.000 -0.095 0.000 1.206 120 A HN 0.657 nan 8.150 nan 0.000 0.470 121 V N 3.402 123.279 119.914 -0.062 0.000 2.326 121 V HA 0.358 4.478 4.120 0.001 0.000 0.281 121 V C -0.423 175.613 176.094 -0.097 0.000 1.015 121 V CA -0.491 61.771 62.300 -0.063 0.000 0.823 121 V CB 1.166 32.959 31.823 -0.051 0.000 1.009 121 V HN 0.601 nan 8.190 nan 0.000 0.436 122 V N 5.126 124.966 119.914 -0.124 0.000 2.328 122 V HA 0.639 4.759 4.120 0.001 0.000 0.278 122 V C 0.487 176.480 176.094 -0.170 0.000 1.021 122 V CA -0.128 62.035 62.300 -0.228 0.000 0.838 122 V CB 1.356 33.019 31.823 -0.265 0.000 0.999 122 V HN 1.024 nan 8.190 nan 0.000 0.447 123 T N 0.000 114.456 114.554 -0.163 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 -0.104 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