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 1yfu_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLTYGAPFNF PRWIDEHAHL LKPPVGNRQV WQDSDFIVTV VGGPNHRTDY DATA SEQUENCE HDDPLEEFFY QLRGNAYLNL WVDGRRERAD LKEGDIFLLP PHVRHSPQRP DATA SEQUENCE EAGSACLVIE RQRPAGMLDG FEWYCDACGH LVHRVEVQLK SIVTDLPPLF DATA SEQUENCE ESFYASEDKR RCPHCGQVHP GRAA 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.221 176.300 -0.132 0.000 1.140 1 M CA 0.000 55.244 55.300 -0.093 0.000 0.988 1 M CB 0.000 32.555 32.600 -0.075 0.000 1.302 2 L N 2.077 123.233 121.223 -0.111 0.000 2.384 2 L HA 0.250 4.627 4.340 0.061 0.000 0.258 2 L C 0.423 177.184 176.870 -0.183 0.000 1.266 2 L CA -0.229 54.531 54.840 -0.133 0.000 1.162 2 L CB -0.639 41.383 42.059 -0.060 0.000 1.375 2 L HN 1.004 nan 8.230 nan 0.000 0.420 3 T N -0.280 114.064 114.554 -0.351 0.000 2.778 3 T HA -0.218 4.169 4.350 0.061 0.000 0.269 3 T C 0.986 175.428 174.700 -0.429 0.000 1.050 3 T CA 1.724 63.540 62.100 -0.473 0.000 1.137 3 T CB -0.274 68.117 68.868 -0.795 0.000 0.860 3 T HN 0.412 nan 8.240 nan 0.000 0.468 4 Y N 1.272 121.507 120.300 -0.109 0.000 2.571 4 Y HA 0.491 5.078 4.550 0.062 0.000 0.275 4 Y C 1.570 177.509 175.900 0.067 0.000 1.179 4 Y CA -0.698 57.336 58.100 -0.109 0.000 1.242 4 Y CB -0.540 37.583 38.460 -0.562 0.000 1.126 4 Y HN 0.360 nan 8.280 nan 0.000 0.524 5 G N 0.551 109.438 108.800 0.145 0.000 2.796 5 G HA2 0.074 4.071 3.960 0.061 0.000 0.571 5 G HA3 0.074 4.071 3.960 0.061 0.000 0.571 5 G C -0.159 174.852 174.900 0.186 0.000 1.370 5 G CA -0.745 44.468 45.100 0.188 0.000 0.856 5 G HN 0.606 nan 8.290 nan 0.000 0.538 6 A N 0.273 123.214 122.820 0.201 0.000 2.257 6 A HA 0.874 5.231 4.320 0.061 0.000 0.289 6 A C -1.427 176.321 177.584 0.273 0.000 1.095 6 A CA -0.403 51.739 52.037 0.176 0.000 0.836 6 A CB -0.166 18.916 19.000 0.136 0.000 1.111 6 A HN 0.836 nan 8.150 nan 0.000 0.497 7 P HA 0.458 nan 4.420 nan 0.000 0.269 7 P C -0.947 176.492 177.300 0.232 0.000 1.215 7 P CA 0.381 63.545 63.100 0.107 0.000 0.780 7 P CB 0.182 31.897 31.700 0.024 0.000 0.898 8 F N -1.758 118.256 119.950 0.107 0.000 2.654 8 F HA 0.413 4.976 4.527 0.061 0.000 0.308 8 F C -0.657 175.221 175.800 0.130 0.000 1.108 8 F CA -1.367 56.705 58.000 0.120 0.000 0.957 8 F CB 1.021 40.107 39.000 0.145 0.000 1.309 8 F HN 0.096 nan 8.300 nan 0.000 0.446 9 N N 2.314 121.221 118.700 0.346 0.000 2.438 9 N HA -0.040 4.737 4.740 0.061 0.000 0.267 9 N C 0.347 176.114 175.510 0.429 0.000 1.222 9 N CA 0.163 53.378 53.050 0.274 0.000 0.930 9 N CB 0.310 38.940 38.487 0.238 0.000 1.083 9 N HN 0.738 nan 8.380 nan 0.000 0.476 10 F N 6.923 126.913 119.950 0.067 0.000 2.113 10 F HA 0.104 4.667 4.527 0.061 0.000 0.297 10 F C -0.903 175.022 175.800 0.208 0.000 1.103 10 F CA 0.338 58.394 58.000 0.093 0.000 1.248 10 F CB -1.324 37.632 39.000 -0.072 0.000 0.999 10 F HN 0.511 nan 8.300 nan 0.000 0.475 11 P HA -0.199 nan 4.420 nan 0.000 0.216 11 P C 1.766 179.127 177.300 0.102 0.000 1.153 11 P CA 2.033 65.148 63.100 0.025 0.000 0.858 11 P CB -0.187 31.538 31.700 0.042 0.000 0.789 12 R N -1.697 118.920 120.500 0.194 0.000 2.075 12 R HA -0.159 4.217 4.340 0.061 0.000 0.232 12 R C 2.231 178.686 176.300 0.259 0.000 1.126 12 R CA 1.541 57.757 56.100 0.193 0.000 0.963 12 R CB -0.928 29.498 30.300 0.209 0.000 0.858 12 R HN 0.193 nan 8.270 nan 0.000 0.435 13 W N 1.225 122.652 121.300 0.212 0.000 2.338 13 W HA -0.182 4.515 4.660 0.061 0.000 0.304 13 W C 1.649 178.281 176.519 0.188 0.000 1.212 13 W CA 1.607 59.103 57.345 0.252 0.000 1.264 13 W CB -0.191 29.517 29.460 0.413 0.000 1.142 13 W HN 0.040 nan 8.180 nan 0.000 0.512 14 I N 0.407 121.176 120.570 0.333 0.000 2.179 14 I HA -0.321 3.886 4.170 0.061 0.000 0.242 14 I C 2.088 178.185 176.117 -0.033 0.000 1.088 14 I CA 1.735 63.079 61.300 0.073 0.000 1.357 14 I CB -0.741 37.197 38.000 -0.103 0.000 1.051 14 I HN -0.079 nan 8.210 nan 0.000 0.409 15 D N 1.004 121.403 120.400 -0.001 0.000 2.104 15 D HA -0.193 4.484 4.640 0.061 0.000 0.194 15 D C 2.035 178.303 176.300 -0.053 0.000 0.994 15 D CA 1.319 55.306 54.000 -0.021 0.000 0.830 15 D CB -0.316 40.486 40.800 0.004 0.000 0.959 15 D HN 0.428 nan 8.370 nan 0.000 0.452 16 E N -0.522 119.640 120.200 -0.064 0.000 2.333 16 E HA -0.149 4.238 4.350 0.061 0.000 0.198 16 E C 0.725 177.097 176.600 -0.381 0.000 1.007 16 E CA 0.724 57.019 56.400 -0.174 0.000 0.845 16 E CB -0.065 29.515 29.700 -0.200 0.000 0.766 16 E HN 0.478 nan 8.360 nan 0.000 0.507 17 H N -1.168 117.631 119.070 -0.452 0.000 2.528 17 H HA 0.331 4.924 4.556 0.061 0.000 0.282 17 H C 1.329 176.339 175.328 -0.529 0.000 1.097 17 H CA 0.255 55.914 56.048 -0.649 0.000 1.121 17 H CB 0.483 29.682 29.762 -0.937 0.000 1.590 17 H HN 0.132 nan 8.280 nan 0.000 0.553 18 A N 0.709 123.405 122.820 -0.207 0.000 1.917 18 A HA -0.303 4.053 4.320 0.061 0.000 0.219 18 A C 1.929 179.438 177.584 -0.124 0.000 1.182 18 A CA 2.178 54.143 52.037 -0.120 0.000 0.633 18 A CB -0.838 18.136 19.000 -0.043 0.000 0.819 18 A HN 0.791 nan 8.150 nan 0.000 0.448 19 H N -1.319 117.700 119.070 -0.085 0.000 2.518 19 H HA 0.102 4.694 4.556 0.061 0.000 0.292 19 H C 1.329 176.627 175.328 -0.049 0.000 1.068 19 H CA 1.454 57.462 56.048 -0.067 0.000 1.275 19 H CB -0.404 29.308 29.762 -0.083 0.000 1.375 19 H HN 0.426 nan 8.280 nan 0.000 0.563 20 L N 0.206 121.162 121.223 -0.445 0.000 2.590 20 L HA 0.186 4.563 4.340 0.061 0.000 0.227 20 L C 0.768 177.565 176.870 -0.121 0.000 1.099 20 L CA 0.011 54.704 54.840 -0.244 0.000 0.872 20 L CB 0.300 42.177 42.059 -0.304 0.000 1.088 20 L HN 0.270 nan 8.230 nan 0.000 0.479 21 L N 1.873 123.022 121.223 -0.122 0.000 2.968 21 L HA 0.181 4.558 4.340 0.061 0.000 0.235 21 L C 0.050 176.898 176.870 -0.038 0.000 1.323 21 L CA 0.084 54.887 54.840 -0.062 0.000 1.159 21 L CB -0.706 41.315 42.059 -0.064 0.000 1.523 21 L HN 0.253 nan 8.230 nan 0.000 0.468 22 K N -1.813 118.571 120.400 -0.027 0.000 2.607 22 K HA 0.581 4.938 4.320 0.061 0.000 0.287 22 K C -3.131 173.470 176.600 0.002 0.000 0.996 22 K CA -1.980 54.301 56.287 -0.011 0.000 0.876 22 K CB 0.956 33.453 32.500 -0.006 0.000 1.496 22 K HN -0.348 nan 8.250 nan 0.000 0.415 23 P HA -0.007 nan 4.420 nan 0.000 0.266 23 P C -1.856 175.457 177.300 0.022 0.000 1.193 23 P CA -0.741 62.369 63.100 0.018 0.000 0.770 23 P CB 0.154 31.866 31.700 0.019 0.000 0.836 24 P HA -0.007 nan 4.420 nan 0.000 0.245 24 P C 0.960 178.282 177.300 0.037 0.000 1.203 24 P CA 0.551 63.672 63.100 0.034 0.000 0.792 24 P CB 0.267 31.990 31.700 0.038 0.000 0.997 25 V N 0.823 120.756 119.914 0.031 0.000 2.229 25 V HA -0.008 4.149 4.120 0.061 0.000 0.243 25 V C 2.428 178.538 176.094 0.027 0.000 1.042 25 V CA 2.570 64.888 62.300 0.030 0.000 1.000 25 V CB -1.708 30.126 31.823 0.019 0.000 0.637 25 V HN 0.339 nan 8.190 nan 0.000 0.446 26 G N 1.193 109.999 108.800 0.011 0.000 2.458 26 G HA2 -0.314 3.683 3.960 0.061 0.000 0.237 26 G HA3 -0.314 3.683 3.960 0.061 0.000 0.237 26 G C 0.267 175.176 174.900 0.015 0.000 1.113 26 G CA 0.552 45.657 45.100 0.009 0.000 0.655 26 G HN 0.837 nan 8.290 nan 0.000 0.513 27 N N -1.063 117.655 118.700 0.029 0.000 2.647 27 N HA 0.742 5.518 4.740 0.061 0.000 0.266 27 N C -1.185 174.360 175.510 0.059 0.000 1.373 27 N CA -0.847 52.233 53.050 0.050 0.000 0.807 27 N CB 2.177 40.704 38.487 0.067 0.000 1.513 27 N HN 0.414 nan 8.380 nan 0.000 0.505 28 R N 0.488 121.050 120.500 0.103 0.000 2.508 28 R HA 0.207 4.584 4.340 0.061 0.000 0.283 28 R C -1.525 174.893 176.300 0.197 0.000 1.120 28 R CA -0.373 55.812 56.100 0.142 0.000 0.958 28 R CB 1.224 31.592 30.300 0.113 0.000 1.215 28 R HN 0.737 nan 8.270 nan 0.000 0.427 29 Q N 3.201 123.083 119.800 0.137 0.000 2.314 29 Q HA 0.202 4.578 4.340 0.061 0.000 0.258 29 Q C 0.098 176.118 176.000 0.034 0.000 0.954 29 Q CA -0.292 55.561 55.803 0.082 0.000 0.890 29 Q CB 1.426 30.212 28.738 0.081 0.000 1.210 29 Q HN 0.618 nan 8.270 nan 0.000 0.410 30 V N 4.261 124.056 119.914 -0.197 0.000 2.283 30 V HA -0.052 4.105 4.120 0.061 0.000 0.243 30 V C 0.458 176.222 176.094 -0.550 0.000 1.039 30 V CA 1.017 62.935 62.300 -0.637 0.000 1.016 30 V CB -0.145 30.895 31.823 -1.305 0.000 0.650 30 V HN 0.676 nan 8.190 nan 0.000 0.449 31 W N -0.277 120.991 121.300 -0.053 0.000 2.781 31 W HA 0.588 5.284 4.660 0.061 0.000 0.345 31 W C -0.397 176.120 176.519 -0.003 0.000 1.085 31 W CA -0.778 56.548 57.345 -0.032 0.000 1.198 31 W CB 1.326 30.678 29.460 -0.180 0.000 1.423 31 W HN 0.082 nan 8.180 nan 0.000 0.532 32 Q N 0.838 120.813 119.800 0.292 0.000 2.215 32 Q HA 0.168 4.545 4.340 0.061 0.000 0.256 32 Q C 0.046 176.177 176.000 0.220 0.000 0.972 32 Q CA -0.310 55.616 55.803 0.205 0.000 0.889 32 Q CB 1.154 29.996 28.738 0.173 0.000 1.281 32 Q HN 0.516 nan 8.270 nan 0.000 0.456 33 D N 0.224 120.721 120.400 0.162 0.000 2.751 33 D HA -0.146 4.531 4.640 0.061 0.000 0.233 33 D C -0.471 175.947 176.300 0.196 0.000 1.149 33 D CA 1.183 55.278 54.000 0.158 0.000 0.682 33 D CB -1.248 39.643 40.800 0.151 0.000 1.068 33 D HN 0.551 nan 8.370 nan 0.000 0.429 34 S N -1.283 114.480 115.700 0.105 0.000 2.638 34 S HA 0.456 4.962 4.470 0.061 0.000 0.298 34 S C 0.757 175.368 174.600 0.019 0.000 1.111 34 S CA -0.684 57.496 58.200 -0.032 0.000 1.027 34 S CB 2.974 65.874 63.200 -0.500 0.000 1.064 34 S HN -0.076 nan 8.310 nan 0.000 0.525 35 D N 0.043 120.448 120.400 0.009 0.000 2.123 35 D HA 0.021 4.698 4.640 0.061 0.000 0.200 35 D C -0.300 176.166 176.300 0.276 0.000 0.976 35 D CA 0.848 54.919 54.000 0.118 0.000 0.831 35 D CB -0.125 40.740 40.800 0.109 0.000 0.974 35 D HN 0.426 nan 8.370 nan 0.000 0.469 36 F N 1.220 121.107 119.950 -0.105 0.000 2.445 36 F HA 0.240 4.805 4.527 0.063 0.000 0.359 36 F C 0.356 176.125 175.800 -0.052 0.000 1.101 36 F CA -1.332 56.613 58.000 -0.091 0.000 1.177 36 F CB 0.385 39.304 39.000 -0.135 0.000 1.110 36 F HN -0.093 nan 8.300 nan 0.000 0.522 37 I N 5.436 126.089 120.570 0.138 0.000 2.291 37 I HA 0.152 4.359 4.170 0.061 0.000 0.292 37 I C -0.087 176.087 176.117 0.095 0.000 1.064 37 I CA -0.519 60.842 61.300 0.102 0.000 1.269 37 I CB 0.371 38.415 38.000 0.072 0.000 1.418 37 I HN 0.076 nan 8.210 nan 0.000 0.485 38 V N 6.867 126.856 119.914 0.124 0.000 2.347 38 V HA 0.477 4.633 4.120 0.061 0.000 0.280 38 V C 0.338 176.440 176.094 0.013 0.000 1.021 38 V CA -0.242 62.110 62.300 0.087 0.000 0.847 38 V CB 1.516 33.438 31.823 0.164 0.000 0.990 38 V HN 0.793 nan 8.190 nan 0.000 0.444 39 T N 3.876 118.450 114.554 0.034 0.000 2.893 39 T HA 0.629 5.016 4.350 0.061 0.000 0.291 39 T C -0.601 174.159 174.700 0.100 0.000 1.028 39 T CA -0.534 61.600 62.100 0.057 0.000 0.995 39 T CB 2.188 71.096 68.868 0.066 0.000 1.051 39 T HN 0.265 nan 8.240 nan 0.000 0.470 40 V N 2.797 122.801 119.914 0.150 0.000 2.384 40 V HA 0.485 4.642 4.120 0.061 0.000 0.287 40 V C -0.402 175.766 176.094 0.122 0.000 1.020 40 V CA -0.679 61.726 62.300 0.175 0.000 0.850 40 V CB 1.599 33.600 31.823 0.297 0.000 0.987 40 V HN 0.733 nan 8.190 nan 0.000 0.436 41 V N 4.646 124.614 119.914 0.089 0.000 2.417 41 V HA 0.751 4.908 4.120 0.061 0.000 0.291 41 V C 0.802 176.915 176.094 0.032 0.000 1.024 41 V CA 0.076 62.415 62.300 0.065 0.000 0.861 41 V CB 1.253 33.124 31.823 0.080 0.000 0.985 41 V HN 0.913 nan 8.190 nan 0.000 0.436 42 G N 2.713 111.520 108.800 0.011 0.000 2.882 42 G HA2 0.860 4.857 3.960 0.061 0.000 0.164 42 G HA3 0.860 4.857 3.960 0.061 0.000 0.164 42 G C 0.007 174.891 174.900 -0.027 0.000 1.429 42 G CA -0.156 44.937 45.100 -0.013 0.000 1.059 42 G HN 1.208 nan 8.290 nan 0.000 0.581 43 G N -1.857 106.923 108.800 -0.033 0.000 2.488 43 G HA2 0.572 4.568 3.960 0.061 0.000 0.301 43 G HA3 0.572 4.568 3.960 0.061 0.000 0.301 43 G C -3.429 171.453 174.900 -0.030 0.000 1.339 43 G CA -0.716 44.355 45.100 -0.048 0.000 0.803 43 G HN 0.497 nan 8.290 nan 0.000 0.482 44 P HA 0.441 nan 4.420 nan 0.000 0.277 44 P C -0.855 176.403 177.300 -0.071 0.000 1.240 44 P CA -0.370 62.697 63.100 -0.055 0.000 0.798 44 P CB 1.170 32.871 31.700 0.001 0.000 0.979 45 N N 0.330 118.924 118.700 -0.177 0.000 2.554 45 N HA 0.291 5.068 4.740 0.061 0.000 0.271 45 N C -1.861 173.458 175.510 -0.319 0.000 1.081 45 N CA -0.427 52.535 53.050 -0.147 0.000 0.994 45 N CB 0.729 39.158 38.487 -0.097 0.000 1.641 45 N HN 0.383 nan 8.380 nan 0.000 0.511 46 H N 0.817 119.854 119.070 -0.057 0.000 2.622 46 H HA 0.743 5.335 4.556 0.060 0.000 0.363 46 H C -0.341 174.950 175.328 -0.061 0.000 1.151 46 H CA -0.694 55.312 56.048 -0.070 0.000 1.184 46 H CB 1.430 31.172 29.762 -0.033 0.000 1.643 46 H HN 0.554 nan 8.280 nan 0.000 0.531 47 R N -0.308 120.218 120.500 0.042 0.000 2.710 47 R HA 0.348 4.725 4.340 0.061 0.000 0.270 47 R C -0.661 175.664 176.300 0.042 0.000 1.021 47 R CA -0.680 55.425 56.100 0.009 0.000 0.889 47 R CB 1.017 31.249 30.300 -0.113 0.000 1.243 47 R HN 0.716 nan 8.270 nan 0.000 0.464 48 T N -3.777 110.874 114.554 0.161 0.000 3.023 48 T HA 0.037 4.424 4.350 0.061 0.000 0.253 48 T C 0.262 175.038 174.700 0.126 0.000 1.038 48 T CA -0.118 62.161 62.100 0.300 0.000 0.962 48 T CB -0.171 69.101 68.868 0.672 0.000 1.018 48 T HN 0.681 nan 8.240 nan 0.000 0.521 49 D N 0.809 121.096 120.400 -0.189 0.000 2.302 49 D HA 0.104 4.781 4.640 0.061 0.000 0.248 49 D C -1.105 174.948 176.300 -0.412 0.000 1.094 49 D CA -0.419 53.148 54.000 -0.721 0.000 0.897 49 D CB 0.939 41.269 40.800 -0.784 0.000 1.200 49 D HN 0.275 nan 8.370 nan 0.000 0.429 50 Y N 0.093 120.212 120.300 -0.302 0.000 2.360 50 Y HA 0.203 4.795 4.550 0.071 0.000 0.337 50 Y C 0.487 176.292 175.900 -0.158 0.000 1.039 50 Y CA -0.782 57.266 58.100 -0.087 0.000 1.109 50 Y CB 1.595 40.154 38.460 0.165 0.000 1.201 50 Y HN 0.464 nan 8.280 nan 0.000 0.458 51 H N 2.739 121.600 119.070 -0.348 0.000 2.458 51 H HA 0.164 4.756 4.556 0.061 0.000 0.330 51 H C -1.225 173.858 175.328 -0.407 0.000 1.111 51 H CA -0.815 54.875 56.048 -0.598 0.000 1.245 51 H CB 1.172 30.526 29.762 -0.680 0.000 1.456 51 H HN 0.657 nan 8.280 nan 0.000 0.488 52 D N 4.538 124.701 120.400 -0.395 0.000 2.477 52 D HA 0.054 4.730 4.640 0.061 0.000 0.239 52 D C -1.010 175.005 176.300 -0.475 0.000 1.102 52 D CA -0.518 53.324 54.000 -0.262 0.000 0.901 52 D CB 0.486 41.229 40.800 -0.094 0.000 1.026 52 D HN 0.484 nan 8.370 nan 0.000 0.515 53 D N 3.703 123.725 120.400 -0.629 0.000 2.295 53 D HA 0.150 4.826 4.640 0.061 0.000 0.248 53 D C -1.518 174.527 176.300 -0.425 0.000 1.154 53 D CA -2.035 51.633 54.000 -0.553 0.000 0.857 53 D CB 2.114 42.644 40.800 -0.450 0.000 1.117 53 D HN 0.197 nan 8.370 nan 0.000 0.468 54 P HA -0.025 nan 4.420 nan 0.000 0.230 54 P C 0.168 177.229 177.300 -0.399 0.000 1.158 54 P CA 0.584 63.407 63.100 -0.463 0.000 0.769 54 P CB 0.583 32.221 31.700 -0.104 0.000 0.807 55 L N -1.256 119.802 121.223 -0.276 0.000 2.257 55 L HA 0.407 4.784 4.340 0.061 0.000 0.257 55 L C 0.611 177.364 176.870 -0.196 0.000 1.033 55 L CA -1.413 53.308 54.840 -0.199 0.000 0.835 55 L CB 1.542 43.525 42.059 -0.127 0.000 1.398 55 L HN -0.293 nan 8.230 nan 0.000 0.429 56 E N 0.357 120.457 120.200 -0.168 0.000 2.408 56 E HA 0.178 4.564 4.350 0.061 0.000 0.259 56 E C -0.967 175.540 176.600 -0.156 0.000 1.110 56 E CA 0.007 56.309 56.400 -0.163 0.000 0.929 56 E CB 0.641 30.252 29.700 -0.150 0.000 0.971 56 E HN 0.361 nan 8.360 nan 0.000 0.438 57 E N 1.247 121.352 120.200 -0.159 0.000 2.241 57 E HA 0.215 4.602 4.350 0.061 0.000 0.263 57 E C -1.545 174.940 176.600 -0.192 0.000 0.882 57 E CA -0.525 55.754 56.400 -0.201 0.000 0.769 57 E CB 1.301 30.879 29.700 -0.203 0.000 1.185 57 E HN 0.274 nan 8.360 nan 0.000 0.415 58 F N 3.764 123.490 119.950 -0.373 0.000 2.421 58 F HA 0.554 5.118 4.527 0.062 0.000 0.337 58 F C -1.427 174.181 175.800 -0.321 0.000 1.105 58 F CA -0.540 57.320 58.000 -0.235 0.000 1.049 58 F CB 0.525 39.420 39.000 -0.175 0.000 1.139 58 F HN 0.314 nan 8.300 nan 0.000 0.479 59 F N 5.990 125.439 119.950 -0.835 0.000 2.540 59 F HA 0.402 4.966 4.527 0.063 0.000 0.317 59 F C -1.372 174.030 175.800 -0.664 0.000 1.104 59 F CA -0.882 56.817 58.000 -0.501 0.000 0.913 59 F CB 1.732 40.673 39.000 -0.099 0.000 1.170 59 F HN 0.358 nan 8.300 nan 0.000 0.450 60 Y N 3.153 123.315 120.300 -0.230 0.000 2.344 60 Y HA 0.312 4.899 4.550 0.061 0.000 0.328 60 Y C -0.840 175.085 175.900 0.041 0.000 1.067 60 Y CA -1.769 56.276 58.100 -0.092 0.000 1.247 60 Y CB 1.022 39.516 38.460 0.057 0.000 1.113 60 Y HN 0.622 nan 8.280 nan 0.000 0.465 61 Q N 5.872 125.841 119.800 0.283 0.000 2.381 61 Q HA 0.287 4.664 4.340 0.061 0.000 0.243 61 Q C 0.068 176.041 176.000 -0.044 0.000 1.154 61 Q CA 0.360 56.217 55.803 0.090 0.000 0.899 61 Q CB 0.224 29.010 28.738 0.081 0.000 1.396 61 Q HN 0.920 nan 8.270 nan 0.000 0.485 62 L N 2.259 123.355 121.223 -0.211 0.000 2.044 62 L HA 0.029 4.405 4.340 0.061 0.000 0.205 62 L C 0.574 177.353 176.870 -0.152 0.000 1.075 62 L CA 1.066 55.718 54.840 -0.314 0.000 0.747 62 L CB -0.034 41.812 42.059 -0.354 0.000 0.903 62 L HN 0.435 nan 8.230 nan 0.000 0.435 63 R N -0.729 119.710 120.500 -0.103 0.000 2.628 63 R HA 0.550 4.926 4.340 0.061 0.000 0.288 63 R C -0.093 176.185 176.300 -0.037 0.000 0.980 63 R CA -0.087 55.974 56.100 -0.064 0.000 0.891 63 R CB 1.873 32.130 30.300 -0.072 0.000 1.188 63 R HN 0.163 nan 8.270 nan 0.000 0.450 64 G N 2.122 110.909 108.800 -0.022 0.000 2.750 64 G HA2 -0.259 3.737 3.960 0.061 0.000 0.228 64 G HA3 -0.259 3.737 3.960 0.061 0.000 0.228 64 G C -1.042 173.856 174.900 -0.003 0.000 1.367 64 G CA -0.725 44.368 45.100 -0.011 0.000 0.871 64 G HN 0.625 nan 8.290 nan 0.000 0.560 65 N N 0.032 118.735 118.700 0.004 0.000 2.312 65 N HA 0.798 5.575 4.740 0.061 0.000 0.296 65 N C 0.088 175.608 175.510 0.017 0.000 1.193 65 N CA 0.181 53.239 53.050 0.014 0.000 0.773 65 N CB 2.108 40.609 38.487 0.025 0.000 1.435 65 N HN 1.599 nan 8.380 nan 0.000 0.484 66 A N 0.311 123.144 122.820 0.021 0.000 2.568 66 A HA 0.778 5.135 4.320 0.061 0.000 0.291 66 A C -2.143 175.475 177.584 0.057 0.000 1.159 66 A CA -0.632 51.397 52.037 -0.014 0.000 0.679 66 A CB 1.309 20.254 19.000 -0.092 0.000 1.285 66 A HN 0.724 nan 8.150 nan 0.000 0.428 67 Y N -2.239 117.984 120.300 -0.128 0.000 2.609 67 Y HA 0.764 5.349 4.550 0.059 0.000 0.336 67 Y C -1.679 174.121 175.900 -0.168 0.000 1.129 67 Y CA -1.418 56.585 58.100 -0.163 0.000 1.040 67 Y CB 1.027 39.411 38.460 -0.127 0.000 1.310 67 Y HN 0.525 nan 8.280 nan 0.000 0.460 68 L N 3.444 124.613 121.223 -0.089 0.000 2.325 68 L HA 0.462 4.838 4.340 0.061 0.000 0.281 68 L C -0.839 176.032 176.870 0.001 0.000 1.004 68 L CA -0.893 53.875 54.840 -0.120 0.000 0.823 68 L CB 1.463 43.408 42.059 -0.191 0.000 1.236 68 L HN 0.629 nan 8.230 nan 0.000 0.415 69 N N 4.432 123.131 118.700 -0.001 0.000 2.488 69 N HA 0.586 5.363 4.740 0.061 0.000 0.274 69 N C -0.626 174.958 175.510 0.123 0.000 1.111 69 N CA -0.044 53.033 53.050 0.046 0.000 0.974 69 N CB 1.569 40.062 38.487 0.011 0.000 1.089 69 N HN 0.418 nan 8.380 nan 0.000 0.465 70 L N 0.136 121.416 121.223 0.094 0.000 2.257 70 L HA 0.604 4.981 4.340 0.061 0.000 0.257 70 L C -0.770 176.059 176.870 -0.068 0.000 1.033 70 L CA -0.923 54.011 54.840 0.157 0.000 0.835 70 L CB 1.749 43.876 42.059 0.114 0.000 1.398 70 L HN 0.419 nan 8.230 nan 0.000 0.429 71 W N 0.963 122.275 121.300 0.021 0.000 2.483 71 W HA 0.588 5.248 4.660 0.001 0.000 0.291 71 W C -1.224 175.264 176.519 -0.053 0.000 0.997 71 W CA -0.378 56.894 57.345 -0.121 0.000 1.591 71 W CB 1.740 31.015 29.460 -0.309 0.000 1.434 71 W HN -0.039 nan 8.180 nan 0.000 0.420 72 V N 3.814 123.808 119.914 0.134 0.000 2.398 72 V HA 0.217 4.374 4.120 0.061 0.000 0.286 72 V C 0.346 176.495 176.094 0.091 0.000 1.026 72 V CA -0.662 61.700 62.300 0.104 0.000 0.868 72 V CB 1.557 33.417 31.823 0.062 0.000 0.982 72 V HN 0.508 nan 8.190 nan 0.000 0.443 73 D N 4.069 124.519 120.400 0.083 0.000 2.772 73 D HA -0.193 4.484 4.640 0.061 0.000 0.233 73 D C 1.198 177.548 176.300 0.084 0.000 1.143 73 D CA 1.301 55.339 54.000 0.063 0.000 0.700 73 D CB -0.874 39.952 40.800 0.043 0.000 1.076 73 D HN 1.428 nan 8.370 nan 0.000 0.430 74 G N -1.357 107.521 108.800 0.131 0.000 2.198 74 G HA2 -0.097 3.900 3.960 0.061 0.000 0.260 74 G HA3 -0.097 3.900 3.960 0.061 0.000 0.260 74 G C 0.322 175.395 174.900 0.289 0.000 1.025 74 G CA 1.326 46.532 45.100 0.175 0.000 0.769 74 G HN 0.989 nan 8.290 nan 0.000 0.507 75 R N -0.382 120.266 120.500 0.248 0.000 2.673 75 R HA 0.821 5.197 4.340 0.061 0.000 0.281 75 R C 0.198 176.341 176.300 -0.262 0.000 0.991 75 R CA -0.388 55.739 56.100 0.044 0.000 0.896 75 R CB 0.842 31.143 30.300 0.002 0.000 1.201 75 R HN 0.534 nan 8.270 nan 0.000 0.457 76 R N 2.278 122.416 120.500 -0.603 0.000 2.343 76 R HA 0.213 4.590 4.340 0.061 0.000 0.326 76 R C -0.569 175.512 176.300 -0.366 0.000 1.055 76 R CA -0.008 55.616 56.100 -0.793 0.000 0.961 76 R CB 0.459 30.311 30.300 -0.746 0.000 0.978 76 R HN 0.639 nan 8.270 nan 0.000 0.443 77 E N 2.355 122.388 120.200 -0.280 0.000 2.339 77 E HA 0.409 4.796 4.350 0.061 0.000 0.262 77 E C -0.727 175.809 176.600 -0.107 0.000 0.934 77 E CA -0.977 55.334 56.400 -0.148 0.000 0.802 77 E CB 2.427 32.073 29.700 -0.091 0.000 1.275 77 E HN 0.352 nan 8.360 nan 0.000 0.427 78 R N 0.080 120.526 120.500 -0.090 0.000 2.575 78 R HA 0.664 5.041 4.340 0.061 0.000 0.293 78 R C -1.565 174.669 176.300 -0.109 0.000 0.983 78 R CA -0.526 55.533 56.100 -0.068 0.000 0.887 78 R CB 1.594 31.845 30.300 -0.082 0.000 1.184 78 R HN 0.525 nan 8.270 nan 0.000 0.445 79 A N 4.281 127.015 122.820 -0.143 0.000 2.267 79 A HA 0.324 4.681 4.320 0.061 0.000 0.315 79 A C -0.947 176.483 177.584 -0.256 0.000 1.297 79 A CA -0.780 51.085 52.037 -0.286 0.000 0.865 79 A CB 0.778 19.464 19.000 -0.525 0.000 1.165 79 A HN 0.727 nan 8.150 nan 0.000 0.513 80 D N 2.189 122.467 120.400 -0.203 0.000 2.304 80 D HA 0.269 4.946 4.640 0.061 0.000 0.250 80 D C -0.350 175.845 176.300 -0.174 0.000 1.107 80 D CA 0.427 54.351 54.000 -0.127 0.000 0.885 80 D CB 1.478 42.216 40.800 -0.103 0.000 1.192 80 D HN 0.443 nan 8.370 nan 0.000 0.436 81 L N 3.316 124.467 121.223 -0.119 0.000 2.426 81 L HA 0.222 4.599 4.340 0.061 0.000 0.255 81 L C 0.661 177.510 176.870 -0.035 0.000 1.080 81 L CA -0.491 54.282 54.840 -0.111 0.000 0.960 81 L CB 0.370 42.351 42.059 -0.130 0.000 1.326 81 L HN 0.012 nan 8.230 nan 0.000 0.441 82 K N 1.377 121.761 120.400 -0.027 0.000 2.202 82 K HA 0.152 4.509 4.320 0.061 0.000 0.264 82 K C 0.229 176.843 176.600 0.024 0.000 1.010 82 K CA -0.555 55.731 56.287 -0.002 0.000 0.940 82 K CB 1.167 33.662 32.500 -0.009 0.000 0.983 82 K HN 0.352 nan 8.250 nan 0.000 0.475 83 E N 0.323 120.537 120.200 0.025 0.000 2.558 83 E HA -0.121 4.266 4.350 0.061 0.000 0.255 83 E C 0.626 177.270 176.600 0.073 0.000 0.968 83 E CA 1.052 57.474 56.400 0.037 0.000 0.939 83 E CB 0.018 29.729 29.700 0.018 0.000 0.921 83 E HN 0.779 nan 8.360 nan 0.000 0.477 84 G N 4.016 112.898 108.800 0.137 0.000 2.213 84 G HA2 -0.212 3.785 3.960 0.061 0.000 0.236 84 G HA3 -0.212 3.785 3.960 0.061 0.000 0.236 84 G C -0.196 174.859 174.900 0.258 0.000 0.991 84 G CA 0.085 45.328 45.100 0.238 0.000 0.629 84 G HN 0.629 nan 8.290 nan 0.000 0.517 85 D N 1.106 121.610 120.400 0.173 0.000 2.345 85 D HA 0.578 5.255 4.640 0.061 0.000 0.247 85 D C 1.115 177.488 176.300 0.120 0.000 1.108 85 D CA 0.349 54.409 54.000 0.099 0.000 0.894 85 D CB 1.212 42.030 40.800 0.031 0.000 1.203 85 D HN 0.772 nan 8.370 nan 0.000 0.430 86 I N -1.498 119.076 120.570 0.007 0.000 2.846 86 I HA 0.796 5.003 4.170 0.061 0.000 0.307 86 I C -1.008 175.158 176.117 0.082 0.000 1.053 86 I CA -1.035 60.219 61.300 -0.076 0.000 1.050 86 I CB 2.259 40.136 38.000 -0.205 0.000 1.239 86 I HN 0.141 nan 8.210 nan 0.000 0.439 87 F N 4.466 124.310 119.950 -0.176 0.000 2.688 87 F HA 0.679 5.241 4.527 0.059 0.000 0.308 87 F C -2.497 173.312 175.800 0.016 0.000 1.117 87 F CA -0.983 56.979 58.000 -0.064 0.000 0.976 87 F CB 1.983 40.924 39.000 -0.097 0.000 1.291 87 F HN 0.566 nan 8.300 nan 0.000 0.439 88 L N 6.253 127.111 121.223 -0.608 0.000 2.343 88 L HA 0.657 5.034 4.340 0.061 0.000 0.278 88 L C -1.862 174.450 176.870 -0.929 0.000 0.996 88 L CA -0.687 53.865 54.840 -0.479 0.000 0.831 88 L CB 1.368 43.332 42.059 -0.159 0.000 1.232 88 L HN 0.678 nan 8.230 nan 0.000 0.413 89 L N 8.338 129.144 121.223 -0.696 0.000 2.276 89 L HA 0.672 5.049 4.340 0.061 0.000 0.286 89 L C -2.257 174.454 176.870 -0.265 0.000 1.061 89 L CA -1.507 53.021 54.840 -0.521 0.000 0.807 89 L CB 0.833 42.749 42.059 -0.238 0.000 1.177 89 L HN 0.481 nan 8.230 nan 0.000 0.429 90 P HA 0.252 nan 4.420 nan 0.000 0.272 90 P C -2.628 174.602 177.300 -0.117 0.000 1.230 90 P CA -1.130 61.900 63.100 -0.118 0.000 0.788 90 P CB -0.157 31.508 31.700 -0.058 0.000 0.949 91 P HA -0.024 nan 4.420 nan 0.000 0.269 91 P C 0.063 177.264 177.300 -0.166 0.000 1.215 91 P CA 0.775 63.719 63.100 -0.258 0.000 0.780 91 P CB -0.089 31.428 31.700 -0.304 0.000 0.898 92 H N -2.613 116.426 119.070 -0.052 0.000 3.631 92 H HA -0.143 4.449 4.556 0.061 0.000 0.202 92 H C -0.122 175.218 175.328 0.021 0.000 1.029 92 H CA 0.454 56.481 56.048 -0.035 0.000 1.208 92 H CB -2.250 27.490 29.762 -0.036 0.000 1.124 92 H HN 0.160 nan 8.280 nan 0.000 0.329 93 V N 4.043 124.034 119.914 0.129 0.000 2.479 93 V HA 0.038 4.194 4.120 0.061 0.000 0.281 93 V C 1.188 177.460 176.094 0.298 0.000 1.031 93 V CA -0.082 62.323 62.300 0.175 0.000 1.038 93 V CB 0.812 32.718 31.823 0.138 0.000 0.981 93 V HN 0.108 nan 8.190 nan 0.000 0.478 94 R N 5.589 126.265 120.500 0.294 0.000 2.484 94 R HA 0.225 4.601 4.340 0.061 0.000 0.293 94 R C 0.096 176.721 176.300 0.542 0.000 1.023 94 R CA 0.165 56.488 56.100 0.372 0.000 1.037 94 R CB -0.156 30.338 30.300 0.323 0.000 0.951 94 R HN 0.975 nan 8.270 nan 0.000 0.418 95 H N -1.667 117.617 119.070 0.357 0.000 2.894 95 H HA 0.382 4.973 4.556 0.059 0.000 0.367 95 H C -1.350 173.999 175.328 0.036 0.000 1.144 95 H CA -0.736 55.449 56.048 0.228 0.000 1.180 95 H CB 1.884 31.745 29.762 0.165 0.000 1.758 95 H HN 0.381 nan 8.280 nan 0.000 0.541 96 S N 3.401 118.973 115.700 -0.212 0.000 2.653 96 S HA 0.372 4.879 4.470 0.061 0.000 0.272 96 S C -2.907 171.557 174.600 -0.227 0.000 1.221 96 S CA -1.296 56.653 58.200 -0.419 0.000 1.149 96 S CB 0.429 63.050 63.200 -0.964 0.000 1.029 96 S HN 0.439 nan 8.310 nan 0.000 0.481 97 P HA 0.239 nan 4.420 nan 0.000 0.271 97 P C -1.028 176.102 177.300 -0.284 0.000 1.220 97 P CA -0.226 62.788 63.100 -0.145 0.000 0.768 97 P CB 0.513 32.225 31.700 0.019 0.000 0.848 98 Q N 3.288 122.782 119.800 -0.510 0.000 2.330 98 Q HA 0.413 4.789 4.340 0.061 0.000 0.269 98 Q C -0.222 175.392 176.000 -0.643 0.000 1.022 98 Q CA -0.296 55.093 55.803 -0.690 0.000 0.796 98 Q CB 2.473 30.510 28.738 -1.168 0.000 1.271 98 Q HN 0.387 nan 8.270 nan 0.000 0.450 99 R N 2.820 123.004 120.500 -0.526 0.000 2.547 99 R HA 0.276 4.652 4.340 0.061 0.000 0.280 99 R C -1.901 174.186 176.300 -0.356 0.000 1.630 99 R CA -1.497 54.403 56.100 -0.334 0.000 1.470 99 R CB 1.139 31.319 30.300 -0.199 0.000 1.178 99 R HN 0.280 nan 8.270 nan 0.000 0.591 100 P HA -0.156 nan 4.420 nan 0.000 0.220 100 P C -0.461 176.832 177.300 -0.011 0.000 1.148 100 P CA 1.057 64.099 63.100 -0.097 0.000 0.803 100 P CB 0.353 32.132 31.700 0.132 0.000 0.782 101 E N 0.013 120.199 120.200 -0.024 0.000 2.227 101 E HA 0.471 4.858 4.350 0.061 0.000 0.282 101 E C -0.084 176.506 176.600 -0.017 0.000 1.015 101 E CA -0.852 55.544 56.400 -0.006 0.000 0.823 101 E CB 0.959 30.658 29.700 -0.001 0.000 1.081 101 E HN -0.002 nan 8.360 nan 0.000 0.396 102 A N 1.853 124.670 122.820 -0.006 0.000 2.351 102 A HA 0.510 4.867 4.320 0.061 0.000 0.257 102 A C 1.252 178.828 177.584 -0.014 0.000 1.087 102 A CA 0.389 52.421 52.037 -0.009 0.000 0.798 102 A CB 0.029 19.028 19.000 -0.001 0.000 1.033 102 A HN 0.839 nan 8.150 nan 0.000 0.488 103 G N 0.403 109.192 108.800 -0.019 0.000 2.184 103 G HA2 -0.218 3.778 3.960 0.061 0.000 0.264 103 G HA3 -0.218 3.778 3.960 0.061 0.000 0.264 103 G C 0.638 175.520 174.900 -0.031 0.000 0.975 103 G CA 1.031 46.116 45.100 -0.024 0.000 0.642 103 G HN 2.106 nan 8.290 nan 0.000 0.536 104 S N -0.364 115.318 115.700 -0.029 0.000 2.603 104 S HA 0.807 5.314 4.470 0.061 0.000 0.268 104 S C 0.077 174.655 174.600 -0.037 0.000 1.317 104 S CA 0.557 58.737 58.200 -0.032 0.000 1.012 104 S CB 2.230 65.413 63.200 -0.029 0.000 0.926 104 S HN 2.019 nan 8.310 nan 0.000 0.539 105 A N 0.657 123.451 122.820 -0.044 0.000 2.437 105 A HA 0.620 4.977 4.320 0.061 0.000 0.293 105 A C -0.816 176.745 177.584 -0.038 0.000 1.038 105 A CA -0.691 51.318 52.037 -0.047 0.000 0.708 105 A CB 1.056 20.001 19.000 -0.092 0.000 1.251 105 A HN 1.167 nan 8.150 nan 0.000 0.409 106 C N 3.841 123.150 119.300 0.014 0.000 2.441 106 C HA 0.734 5.231 4.460 0.061 0.000 0.318 106 C C -0.602 174.446 174.990 0.098 0.000 1.222 106 C CA -0.701 58.354 59.018 0.061 0.000 1.474 106 C CB 0.409 28.225 27.740 0.127 0.000 2.125 106 C HN 1.105 nan 8.230 nan 0.000 0.479 107 L N 7.302 128.600 121.223 0.124 0.000 2.319 107 L HA 0.690 5.066 4.340 0.061 0.000 0.280 107 L C -0.613 176.335 176.870 0.129 0.000 1.099 107 L CA 0.575 55.535 54.840 0.201 0.000 0.828 107 L CB 1.012 43.272 42.059 0.335 0.000 1.150 107 L HN 0.537 nan 8.230 nan 0.000 0.442 108 V N 7.096 127.046 119.914 0.061 0.000 2.531 108 V HA 0.500 4.657 4.120 0.061 0.000 0.301 108 V C -0.104 175.968 176.094 -0.036 0.000 1.034 108 V CA -0.443 61.780 62.300 -0.129 0.000 0.865 108 V CB 1.644 33.347 31.823 -0.200 0.000 0.995 108 V HN 0.643 nan 8.190 nan 0.000 0.424 109 I N 4.339 124.897 120.570 -0.019 0.000 2.465 109 I HA 0.602 4.808 4.170 0.061 0.000 0.291 109 I C -0.092 175.967 176.117 -0.097 0.000 1.014 109 I CA -0.309 60.990 61.300 -0.002 0.000 1.093 109 I CB 2.067 40.092 38.000 0.041 0.000 1.267 109 I HN 0.653 nan 8.210 nan 0.000 0.431 110 E N 5.059 125.205 120.200 -0.090 0.000 2.446 110 E HA 0.622 5.009 4.350 0.061 0.000 0.267 110 E C -1.095 175.444 176.600 -0.102 0.000 0.955 110 E CA -1.172 55.169 56.400 -0.098 0.000 0.842 110 E CB 2.374 32.057 29.700 -0.028 0.000 1.504 110 E HN 0.429 nan 8.360 nan 0.000 0.438 111 R N 0.709 121.162 120.500 -0.079 0.000 2.778 111 R HA 0.292 4.668 4.340 0.061 0.000 0.277 111 R C -0.596 175.719 176.300 0.024 0.000 0.977 111 R CA -0.957 55.122 56.100 -0.035 0.000 0.950 111 R CB 1.334 31.593 30.300 -0.068 0.000 1.165 111 R HN 0.347 nan 8.270 nan 0.000 0.474 112 Q N 2.047 121.883 119.800 0.060 0.000 2.337 112 Q HA 0.066 4.443 4.340 0.061 0.000 0.270 112 Q C -0.345 175.681 176.000 0.045 0.000 1.002 112 Q CA 0.327 56.167 55.803 0.061 0.000 0.888 112 Q CB 0.748 29.528 28.738 0.070 0.000 1.222 112 Q HN 0.148 nan 8.270 nan 0.000 0.400 113 R N 3.447 123.974 120.500 0.045 0.000 2.340 113 R HA 0.305 4.682 4.340 0.061 0.000 0.300 113 R C -1.934 174.387 176.300 0.035 0.000 1.069 113 R CA -1.327 54.794 56.100 0.035 0.000 0.984 113 R CB -0.040 30.286 30.300 0.042 0.000 1.003 113 R HN 0.427 nan 8.270 nan 0.000 0.459 114 P HA 0.152 nan 4.420 nan 0.000 0.274 114 P C -0.860 176.456 177.300 0.027 0.000 1.237 114 P CA -0.552 62.563 63.100 0.027 0.000 0.793 114 P CB 0.796 32.508 31.700 0.021 0.000 0.977 115 A N 0.916 123.751 122.820 0.025 0.000 2.567 115 A HA 0.372 4.728 4.320 0.061 0.000 0.240 115 A C 1.475 179.073 177.584 0.022 0.000 1.053 115 A CA 0.949 53.001 52.037 0.024 0.000 0.755 115 A CB -1.515 17.498 19.000 0.021 0.000 0.978 115 A HN 0.942 nan 8.150 nan 0.000 0.507 116 G N 1.245 110.059 108.800 0.024 0.000 2.234 116 G HA2 -0.233 3.764 3.960 0.061 0.000 0.235 116 G HA3 -0.233 3.764 3.960 0.061 0.000 0.235 116 G C 0.360 175.275 174.900 0.026 0.000 0.997 116 G CA 0.370 45.483 45.100 0.022 0.000 0.623 116 G HN 1.163 nan 8.290 nan 0.000 0.514 117 M N 2.308 121.925 119.600 0.029 0.000 2.069 117 M HA 0.645 5.162 4.480 0.061 0.000 0.349 117 M C -0.120 176.204 176.300 0.040 0.000 1.194 117 M CA -0.452 54.868 55.300 0.033 0.000 1.081 117 M CB 0.228 32.843 32.600 0.025 0.000 1.500 117 M HN 0.171 nan 8.290 nan 0.000 0.438 118 L N 3.523 124.773 121.223 0.045 0.000 2.360 118 L HA 0.517 4.894 4.340 0.061 0.000 0.271 118 L C -0.566 176.334 176.870 0.051 0.000 1.057 118 L CA -0.867 54.003 54.840 0.051 0.000 0.803 118 L CB 1.479 43.563 42.059 0.042 0.000 1.207 118 L HN 0.589 nan 8.230 nan 0.000 0.445 119 D N 0.258 120.697 120.400 0.066 0.000 2.193 119 D HA 0.558 5.234 4.640 0.061 0.000 0.249 119 D C -0.086 176.198 176.300 -0.026 0.000 1.034 119 D CA 0.031 54.053 54.000 0.036 0.000 0.902 119 D CB 1.897 42.795 40.800 0.163 0.000 1.182 119 D HN 0.645 nan 8.370 nan 0.000 0.436 120 G N 0.604 109.301 108.800 -0.170 0.000 2.452 120 G HA2 0.598 4.595 3.960 0.061 0.000 0.324 120 G HA3 0.598 4.595 3.960 0.061 0.000 0.324 120 G C -1.431 173.208 174.900 -0.434 0.000 1.214 120 G CA -0.485 44.516 45.100 -0.165 0.000 0.947 120 G HN 0.297 nan 8.290 nan 0.000 0.478 121 F N 0.764 120.692 119.950 -0.037 0.000 2.536 121 F HA 0.463 5.027 4.527 0.061 0.000 0.322 121 F C 0.308 175.909 175.800 -0.331 0.000 1.144 121 F CA -0.657 57.246 58.000 -0.163 0.000 0.924 121 F CB 2.457 41.366 39.000 -0.152 0.000 1.181 121 F HN 0.660 nan 8.300 nan 0.000 0.438 122 E N 2.117 122.108 120.200 -0.348 0.000 2.446 122 E HA 0.485 4.872 4.350 0.061 0.000 0.276 122 E C -1.896 174.387 176.600 -0.530 0.000 0.969 122 E CA -0.976 55.208 56.400 -0.361 0.000 0.800 122 E CB 2.686 32.223 29.700 -0.272 0.000 1.341 122 E HN 0.470 nan 8.360 nan 0.000 0.460 123 W N 0.491 121.639 121.300 -0.254 0.000 2.936 123 W HA 0.427 5.121 4.660 0.057 0.000 0.338 123 W C -1.209 175.199 176.519 -0.184 0.000 1.121 123 W CA -0.792 56.480 57.345 -0.122 0.000 1.209 123 W CB 1.923 31.080 29.460 -0.504 0.000 1.420 123 W HN 0.542 nan 8.180 nan 0.000 0.516 124 Y N 0.530 121.115 120.300 0.476 0.000 2.509 124 Y HA 0.310 4.899 4.550 0.066 0.000 0.341 124 Y C 0.437 176.650 175.900 0.523 0.000 1.038 124 Y CA -0.663 57.664 58.100 0.378 0.000 1.089 124 Y CB 1.439 40.080 38.460 0.301 0.000 1.241 124 Y HN 0.256 nan 8.280 nan 0.000 0.468 125 C N 3.344 122.974 119.300 0.549 0.000 2.629 125 C HA 0.085 4.582 4.460 0.061 0.000 0.410 125 C C 1.200 176.418 174.990 0.380 0.000 1.339 125 C CA -0.372 58.913 59.018 0.446 0.000 1.810 125 C CB -0.762 27.192 27.740 0.358 0.000 2.549 125 C HN 0.858 nan 8.230 nan 0.000 0.589 126 D N 3.247 123.815 120.400 0.281 0.000 2.378 126 D HA -0.017 4.660 4.640 0.061 0.000 0.227 126 D C 1.667 178.065 176.300 0.164 0.000 1.012 126 D CA 1.139 55.262 54.000 0.206 0.000 0.905 126 D CB 0.301 41.170 40.800 0.115 0.000 0.895 126 D HN 0.789 nan 8.370 nan 0.000 0.532 127 A N 0.349 123.275 122.820 0.176 0.000 1.909 127 A HA -0.035 4.322 4.320 0.061 0.000 0.210 127 A C 2.246 179.932 177.584 0.170 0.000 1.273 127 A CA 0.825 52.950 52.037 0.147 0.000 0.654 127 A CB -0.286 18.792 19.000 0.130 0.000 0.945 127 A HN 0.441 nan 8.150 nan 0.000 0.471 128 C N -3.003 116.428 119.300 0.218 0.000 3.070 128 C HA 0.578 5.075 4.460 0.061 0.000 0.280 128 C C 1.788 176.921 174.990 0.238 0.000 1.264 128 C CA 0.319 59.473 59.018 0.227 0.000 1.690 128 C CB -0.151 27.773 27.740 0.306 0.000 2.049 128 C HN 1.722 nan 8.230 nan 0.000 0.636 129 G N 0.585 109.567 108.800 0.305 0.000 2.162 129 G HA2 -0.267 3.730 3.960 0.061 0.000 0.260 129 G HA3 -0.267 3.730 3.960 0.061 0.000 0.260 129 G C -0.115 174.977 174.900 0.321 0.000 0.976 129 G CA 0.707 46.041 45.100 0.390 0.000 0.655 129 G HN 0.957 nan 8.290 nan 0.000 0.533 130 H N -0.563 118.610 119.070 0.172 0.000 2.615 130 H HA 0.555 5.142 4.556 0.052 0.000 0.363 130 H C 0.716 176.112 175.328 0.114 0.000 1.148 130 H CA -0.416 55.677 56.048 0.075 0.000 1.401 130 H CB 0.776 30.551 29.762 0.021 0.000 1.461 130 H HN 0.316 nan 8.280 nan 0.000 0.588 131 L N 4.909 125.944 121.223 -0.312 0.000 2.462 131 L HA 0.005 4.382 4.340 0.061 0.000 0.272 131 L C -0.010 176.854 176.870 -0.009 0.000 1.166 131 L CA 0.408 55.008 54.840 -0.400 0.000 0.880 131 L CB 0.336 42.103 42.059 -0.487 0.000 1.142 131 L HN 0.677 nan 8.230 nan 0.000 0.473 132 V N 3.867 123.803 119.914 0.036 0.000 2.492 132 V HA 0.127 4.284 4.120 0.061 0.000 0.241 132 V C 0.091 176.373 176.094 0.313 0.000 1.041 132 V CA 0.792 63.242 62.300 0.250 0.000 1.057 132 V CB -0.482 31.567 31.823 0.378 0.000 0.711 132 V HN 0.948 nan 8.190 nan 0.000 0.468 133 H N -0.495 118.661 119.070 0.142 0.000 3.079 133 H HA 0.648 5.240 4.556 0.060 0.000 0.356 133 H C -0.775 174.643 175.328 0.151 0.000 1.221 133 H CA -0.863 55.298 56.048 0.189 0.000 1.185 133 H CB 1.385 31.355 29.762 0.348 0.000 1.882 133 H HN 0.133 nan 8.280 nan 0.000 0.543 134 R N 3.903 124.156 120.500 -0.413 0.000 2.564 134 R HA 0.643 5.020 4.340 0.061 0.000 0.284 134 R C -2.049 174.061 176.300 -0.316 0.000 1.031 134 R CA -0.790 55.156 56.100 -0.256 0.000 0.904 134 R CB 1.610 31.798 30.300 -0.186 0.000 1.199 134 R HN 0.353 nan 8.270 nan 0.000 0.443 135 V N 3.417 123.285 119.914 -0.077 0.000 2.588 135 V HA 0.387 4.544 4.120 0.061 0.000 0.304 135 V C -0.478 175.656 176.094 0.067 0.000 1.042 135 V CA -0.839 61.465 62.300 0.007 0.000 0.877 135 V CB 1.834 33.736 31.823 0.132 0.000 0.996 135 V HN 0.789 nan 8.190 nan 0.000 0.425 136 E N 2.475 122.699 120.200 0.041 0.000 2.204 136 E HA 0.719 5.106 4.350 0.061 0.000 0.276 136 E C -1.213 175.434 176.600 0.078 0.000 0.974 136 E CA -0.530 55.903 56.400 0.054 0.000 0.815 136 E CB 2.810 32.522 29.700 0.020 0.000 1.119 136 E HN 0.418 nan 8.360 nan 0.000 0.393 137 V N 2.198 122.175 119.914 0.106 0.000 3.012 137 V HA 0.175 4.332 4.120 0.061 0.000 0.307 137 V C -1.610 174.538 176.094 0.091 0.000 1.166 137 V CA -0.711 61.647 62.300 0.096 0.000 0.974 137 V CB 2.276 34.167 31.823 0.114 0.000 1.040 137 V HN 0.629 nan 8.190 nan 0.000 0.428 138 Q N 4.210 124.048 119.800 0.063 0.000 2.423 138 Q HA 0.404 4.781 4.340 0.061 0.000 0.235 138 Q C -0.913 175.125 176.000 0.063 0.000 1.100 138 Q CA -0.086 55.752 55.803 0.058 0.000 0.908 138 Q CB 0.861 29.623 28.738 0.041 0.000 1.312 138 Q HN 0.730 nan 8.270 nan 0.000 0.497 139 L N 4.261 125.536 121.223 0.087 0.000 2.485 139 L HA 0.180 4.557 4.340 0.061 0.000 0.279 139 L C 0.611 177.522 176.870 0.067 0.000 1.124 139 L CA 0.911 55.804 54.840 0.089 0.000 0.888 139 L CB 0.358 42.501 42.059 0.140 0.000 1.217 139 L HN 0.765 nan 8.230 nan 0.000 0.464 140 K N 1.941 122.371 120.400 0.049 0.000 2.306 140 K HA 0.186 4.543 4.320 0.061 0.000 0.200 140 K C 0.005 176.632 176.600 0.046 0.000 1.083 140 K CA 0.219 56.534 56.287 0.046 0.000 0.959 140 K CB 0.547 33.069 32.500 0.037 0.000 0.994 140 K HN 0.527 nan 8.250 nan 0.000 0.492 141 S N 0.540 116.261 115.700 0.035 0.000 2.736 141 S HA 0.340 4.847 4.470 0.061 0.000 0.285 141 S C 0.705 175.315 174.600 0.016 0.000 1.163 141 S CA -0.704 57.516 58.200 0.033 0.000 1.025 141 S CB 0.791 64.009 63.200 0.030 0.000 1.030 141 S HN 0.271 nan 8.310 nan 0.000 0.486 142 I N 4.243 124.828 120.570 0.025 0.000 2.264 142 I HA -0.144 4.062 4.170 0.061 0.000 0.248 142 I C 2.052 178.164 176.117 -0.008 0.000 1.111 142 I CA 1.064 62.367 61.300 0.004 0.000 1.382 142 I CB -0.207 37.814 38.000 0.035 0.000 1.060 142 I HN 0.522 nan 8.210 nan 0.000 0.418 143 V N 0.848 120.772 119.914 0.016 0.000 2.343 143 V HA -0.265 3.891 4.120 0.061 0.000 0.247 143 V C 2.477 178.572 176.094 0.002 0.000 1.051 143 V CA 2.589 64.900 62.300 0.019 0.000 1.036 143 V CB -1.062 30.780 31.823 0.033 0.000 0.654 143 V HN 0.658 nan 8.190 nan 0.000 0.451 144 T N -3.911 110.639 114.554 -0.006 0.000 3.015 144 T HA 0.027 4.414 4.350 0.061 0.000 0.250 144 T C 1.212 175.886 174.700 -0.045 0.000 1.057 144 T CA 0.526 62.617 62.100 -0.016 0.000 1.066 144 T CB 0.002 68.870 68.868 -0.002 0.000 0.959 144 T HN 0.379 nan 8.240 nan 0.000 0.488 145 D N 0.566 120.930 120.400 -0.061 0.000 2.346 145 D HA 0.241 4.917 4.640 0.061 0.000 0.206 145 D C 1.504 177.678 176.300 -0.210 0.000 1.001 145 D CA 0.181 54.124 54.000 -0.094 0.000 0.871 145 D CB 0.234 41.002 40.800 -0.053 0.000 0.943 145 D HN 0.251 nan 8.370 nan 0.000 0.518 146 L N 0.095 121.154 121.223 -0.272 0.000 2.349 146 L HA 0.190 4.567 4.340 0.061 0.000 0.200 146 L C -0.938 175.573 176.870 -0.598 0.000 1.064 146 L CA 0.593 55.087 54.840 -0.577 0.000 0.821 146 L CB -1.033 40.696 42.059 -0.551 0.000 1.027 146 L HN -0.116 nan 8.230 nan 0.000 0.476 147 P HA -0.141 nan 4.420 nan 0.000 0.216 147 P C -1.445 175.822 177.300 -0.055 0.000 1.154 147 P CA 1.950 65.037 63.100 -0.023 0.000 0.865 147 P CB -0.907 30.819 31.700 0.042 0.000 0.789 148 P HA -0.115 nan 4.420 nan 0.000 0.217 148 P C 1.712 178.947 177.300 -0.107 0.000 1.150 148 P CA 0.914 63.973 63.100 -0.068 0.000 0.832 148 P CB -0.392 31.272 31.700 -0.060 0.000 0.787 149 L N -1.734 119.350 121.223 -0.231 0.000 1.989 149 L HA -0.204 4.173 4.340 0.061 0.000 0.211 149 L C 2.120 178.918 176.870 -0.121 0.000 1.071 149 L CA 1.888 56.592 54.840 -0.227 0.000 0.749 149 L CB -0.651 41.136 42.059 -0.453 0.000 0.890 149 L HN -0.128 nan 8.230 nan 0.000 0.431 150 F N 0.451 120.347 119.950 -0.090 0.000 2.134 150 F HA -0.234 4.330 4.527 0.061 0.000 0.299 150 F C 2.617 178.002 175.800 -0.693 0.000 1.097 150 F CA 1.649 59.489 58.000 -0.266 0.000 1.264 150 F CB -1.020 37.912 39.000 -0.114 0.000 1.001 150 F HN 0.281 nan 8.300 nan 0.000 0.479 151 E N 0.577 120.720 120.200 -0.095 0.000 2.077 151 E HA -0.210 4.177 4.350 0.061 0.000 0.193 151 E C 2.257 178.819 176.600 -0.064 0.000 0.989 151 E CA 1.707 58.103 56.400 -0.007 0.000 0.800 151 E CB -0.108 29.645 29.700 0.088 0.000 0.746 151 E HN 0.412 nan 8.360 nan 0.000 0.452 152 S N -0.221 115.437 115.700 -0.071 0.000 2.423 152 S HA -0.164 4.342 4.470 0.061 0.000 0.231 152 S C 1.858 176.382 174.600 -0.127 0.000 1.014 152 S CA 0.794 58.956 58.200 -0.064 0.000 0.965 152 S CB -0.576 62.609 63.200 -0.025 0.000 0.785 152 S HN 0.459 nan 8.310 nan 0.000 0.495 153 F N 1.789 121.509 119.950 -0.383 0.000 2.128 153 F HA -0.000 4.562 4.527 0.060 0.000 0.295 153 F C 2.015 177.574 175.800 -0.402 0.000 1.100 153 F CA 1.043 58.698 58.000 -0.576 0.000 1.260 153 F CB -0.315 38.038 39.000 -1.078 0.000 1.009 153 F HN 0.077 nan 8.300 nan 0.000 0.476 154 Y N 0.556 120.726 120.300 -0.217 0.000 2.274 154 Y HA -0.032 4.554 4.550 0.059 0.000 0.290 154 Y C 2.467 178.226 175.900 -0.236 0.000 1.145 154 Y CA 0.494 58.451 58.100 -0.237 0.000 1.203 154 Y CB -1.698 36.751 38.460 -0.018 0.000 0.984 154 Y HN 0.177 nan 8.280 nan 0.000 0.533 155 A N -1.156 121.642 122.820 -0.037 0.000 2.238 155 A HA 0.173 4.529 4.320 0.061 0.000 0.208 155 A C 0.997 178.504 177.584 -0.128 0.000 1.177 155 A CA 0.580 52.583 52.037 -0.057 0.000 0.804 155 A CB -0.258 18.730 19.000 -0.020 0.000 0.823 155 A HN 0.153 nan 8.150 nan 0.000 0.482 156 S N -0.337 115.221 115.700 -0.236 0.000 2.733 156 S HA 0.312 4.818 4.470 0.061 0.000 0.307 156 S C 0.482 174.901 174.600 -0.301 0.000 1.127 156 S CA -0.531 57.523 58.200 -0.243 0.000 1.097 156 S CB 0.626 63.680 63.200 -0.245 0.000 1.003 156 S HN 0.443 nan 8.310 nan 0.000 0.477 157 E N 2.687 122.768 120.200 -0.198 0.000 2.204 157 E HA -0.177 4.210 4.350 0.061 0.000 0.195 157 E C 0.955 177.460 176.600 -0.157 0.000 0.990 157 E CA 1.184 57.481 56.400 -0.171 0.000 0.821 157 E CB 0.057 29.696 29.700 -0.101 0.000 0.750 157 E HN 0.802 nan 8.360 nan 0.000 0.477 158 D N 1.188 121.503 120.400 -0.143 0.000 2.084 158 D HA -0.159 4.518 4.640 0.061 0.000 0.194 158 D C 1.671 177.890 176.300 -0.135 0.000 0.990 158 D CA 1.373 55.311 54.000 -0.104 0.000 0.826 158 D CB 0.154 40.905 40.800 -0.081 0.000 0.971 158 D HN -0.025 nan 8.370 nan 0.000 0.453 159 K N -0.457 119.786 120.400 -0.260 0.000 2.148 159 K HA -0.016 4.340 4.320 0.061 0.000 0.204 159 K C 2.186 178.618 176.600 -0.280 0.000 1.050 159 K CA 0.769 56.817 56.287 -0.398 0.000 0.942 159 K CB -0.001 32.070 32.500 -0.716 0.000 0.724 159 K HN 0.088 nan 8.250 nan 0.000 0.446 160 R N 0.826 121.063 120.500 -0.439 0.000 2.313 160 R HA 0.041 4.417 4.340 0.061 0.000 0.199 160 R C 0.609 176.903 176.300 -0.009 0.000 0.958 160 R CA -0.023 55.866 56.100 -0.352 0.000 1.047 160 R CB 0.097 30.065 30.300 -0.553 0.000 0.955 160 R HN 0.021 nan 8.270 nan 0.000 0.481 161 R N 1.006 121.502 120.500 -0.005 0.000 2.248 161 R HA 0.078 4.455 4.340 0.061 0.000 0.328 161 R C -0.649 175.719 176.300 0.114 0.000 1.067 161 R CA -0.255 55.875 56.100 0.050 0.000 0.924 161 R CB 0.577 30.885 30.300 0.013 0.000 1.013 161 R HN 0.101 nan 8.270 nan 0.000 0.454 162 C N 8.106 127.493 119.300 0.145 0.000 2.648 162 C HA 0.201 4.698 4.460 0.061 0.000 0.415 162 C C -0.862 174.197 174.990 0.115 0.000 1.366 162 C CA -1.703 57.422 59.018 0.179 0.000 1.756 162 C CB 0.445 28.305 27.740 0.201 0.000 2.549 162 C HN 0.767 nan 8.230 nan 0.000 0.597 163 P HA -0.043 nan 4.420 nan 0.000 0.245 163 P C 0.584 177.859 177.300 -0.042 0.000 1.212 163 P CA 1.322 64.452 63.100 0.051 0.000 0.774 163 P CB 0.057 31.817 31.700 0.101 0.000 0.999 164 H N 0.286 119.234 119.070 -0.203 0.000 2.393 164 H HA 0.066 4.666 4.556 0.073 0.000 0.307 164 H C 1.726 176.994 175.328 -0.100 0.000 1.038 164 H CA 1.657 57.540 56.048 -0.275 0.000 1.351 164 H CB -0.191 29.281 29.762 -0.483 0.000 1.464 164 H HN 0.124 nan 8.280 nan 0.000 0.575 165 C N -0.675 118.604 119.300 -0.034 0.000 3.183 165 C HA 0.626 5.123 4.460 0.061 0.000 0.285 165 C C 1.860 176.844 174.990 -0.010 0.000 1.313 165 C CA 0.385 59.370 59.018 -0.054 0.000 1.711 165 C CB -0.049 27.725 27.740 0.057 0.000 2.135 165 C HN 0.812 nan 8.230 nan 0.000 0.651 166 G N 1.021 109.829 108.800 0.012 0.000 2.184 166 G HA2 -0.315 3.682 3.960 0.061 0.000 0.264 166 G HA3 -0.315 3.682 3.960 0.061 0.000 0.264 166 G C 0.016 174.940 174.900 0.040 0.000 0.975 166 G CA 0.780 45.892 45.100 0.019 0.000 0.642 166 G HN 0.890 nan 8.290 nan 0.000 0.536 167 Q N 0.748 120.587 119.800 0.065 0.000 2.289 167 Q HA 0.478 4.855 4.340 0.061 0.000 0.273 167 Q C 0.334 176.388 176.000 0.089 0.000 1.029 167 Q CA -0.039 55.807 55.803 0.072 0.000 0.896 167 Q CB 1.045 29.839 28.738 0.093 0.000 1.182 167 Q HN 0.403 nan 8.270 nan 0.000 0.385 168 V N 6.128 126.079 119.914 0.060 0.000 2.408 168 V HA 0.066 4.223 4.120 0.061 0.000 0.267 168 V C 0.455 176.605 176.094 0.094 0.000 1.047 168 V CA -0.545 61.790 62.300 0.058 0.000 0.937 168 V CB 0.512 32.339 31.823 0.007 0.000 0.999 168 V HN 0.824 nan 8.190 nan 0.000 0.472 169 H N 8.038 127.143 119.070 0.058 0.000 2.972 169 H HA 0.041 4.632 4.556 0.059 0.000 0.343 169 H C -1.716 173.644 175.328 0.054 0.000 1.054 169 H CA -1.054 55.069 56.048 0.125 0.000 1.412 169 H CB 1.674 31.594 29.762 0.263 0.000 1.385 169 H HN 0.383 nan 8.280 nan 0.000 0.600 170 P HA -0.074 nan 4.420 nan 0.000 0.218 170 P C 0.698 178.110 177.300 0.187 0.000 1.148 170 P CA 2.063 65.189 63.100 0.044 0.000 0.822 170 P CB 0.274 31.947 31.700 -0.046 0.000 0.784 171 G N -1.223 107.922 108.800 0.575 0.000 3.035 171 G HA2 -0.294 3.703 3.960 0.061 0.000 0.242 171 G HA3 -0.294 3.703 3.960 0.061 0.000 0.242 171 G C 1.193 176.291 174.900 0.331 0.000 1.524 171 G CA 0.201 45.544 45.100 0.405 0.000 1.038 171 G HN 0.256 nan 8.290 nan 0.000 0.561 172 R N 1.308 121.608 120.500 -0.333 0.000 2.066 172 R HA 0.378 4.755 4.340 0.061 0.000 0.232 172 R C 1.470 177.706 176.300 -0.107 0.000 1.131 172 R CA 1.807 57.518 56.100 -0.648 0.000 0.955 172 R CB -0.449 29.291 30.300 -0.933 0.000 0.851 172 R HN 1.151 nan 8.270 nan 0.000 0.432 173 A N 0.663 123.450 122.820 -0.055 0.000 2.288 173 A HA 0.638 4.995 4.320 0.061 0.000 0.320 173 A C -0.153 177.461 177.584 0.050 0.000 1.217 173 A CA -0.277 51.762 52.037 0.005 0.000 0.840 173 A CB 1.139 20.118 19.000 -0.034 0.000 1.179 173 A HN 0.504 nan 8.150 nan 0.000 0.504 174 A N 0.000 122.865 122.820 0.075 0.000 2.254 174 A HA 0.000 4.357 4.320 0.061 0.000 0.244 174 A CA 0.000 52.076 52.037 0.064 0.000 0.836 174 A CB 0.000 19.044 19.000 0.073 0.000 0.831 174 A HN 0.000 nan 8.150 nan 0.000 0.486