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 2zct_1_H DATA FIRST_RESID 5 DATA SEQUENCE IPLIGERFPE MEVTTDHGVI KLPDHYVSQG KWFVLFSHPA DFTPVXTTEF DATA SEQUENCE VSFARRYEDF QRLGVDLIGL SVDSVFSHIK WKEWIERHIG VRIPFPIIAD DATA SEQUENCE PQGTVARRLG LLXXXXATHT VRGVFIVDAR GVIRTMLYYP MELGRLVDEI DATA SEQUENCE LRIVKALKLG DSLKRAVPAD WPNNEIIGEG LIVPPPTTED QARARMESGQ DATA SEQUENCE YRSLDWWFCW DTPASRDDVE EARRYLRRAA EKPAKLLYE 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 5 I HA 0.000 nan 4.170 nan 0.000 0.288 5 I C 0.000 176.164 176.117 0.079 0.000 1.063 5 I CA 0.000 61.322 61.300 0.036 0.000 1.566 5 I CB 0.000 38.026 38.000 0.044 0.000 1.214 6 P HA 0.111 nan 4.420 nan 0.000 0.257 6 P C -0.621 176.759 177.300 0.134 0.000 1.162 6 P CA 0.349 63.492 63.100 0.071 0.000 0.762 6 P CB 0.105 31.815 31.700 0.017 0.000 0.753 7 L N 3.480 124.753 121.223 0.082 0.000 2.399 7 L HA 0.389 4.728 4.340 -0.000 0.000 0.265 7 L C 1.350 178.271 176.870 0.085 0.000 1.089 7 L CA -1.346 53.543 54.840 0.083 0.000 0.802 7 L CB 0.484 42.571 42.059 0.046 0.000 1.180 7 L HN 0.262 nan 8.230 nan 0.000 0.454 8 I N 1.468 122.086 120.570 0.081 0.000 2.775 8 I HA -0.083 4.087 4.170 -0.000 0.000 0.290 8 I C 1.295 177.435 176.117 0.038 0.000 1.203 8 I CA 1.520 62.858 61.300 0.064 0.000 1.433 8 I CB 0.406 38.438 38.000 0.053 0.000 1.354 8 I HN 0.982 nan 8.210 nan 0.000 0.579 9 G N 4.424 113.239 108.800 0.025 0.000 2.241 9 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.244 9 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.244 9 G C 0.138 175.043 174.900 0.008 0.000 0.998 9 G CA -0.278 44.827 45.100 0.008 0.000 0.621 9 G HN 0.627 nan 8.290 nan 0.000 0.519 10 E N 0.378 120.590 120.200 0.021 0.000 2.319 10 E HA 0.514 4.864 4.350 -0.000 0.000 0.268 10 E C 0.597 177.210 176.600 0.023 0.000 1.050 10 E CA -0.833 55.577 56.400 0.016 0.000 0.878 10 E CB 0.969 30.677 29.700 0.014 0.000 1.066 10 E HN 0.332 nan 8.360 nan 0.000 0.406 11 R N 1.791 122.303 120.500 0.020 0.000 2.537 11 R HA 0.019 4.359 4.340 -0.000 0.000 0.280 11 R C -0.566 175.776 176.300 0.070 0.000 1.058 11 R CA -0.226 55.903 56.100 0.047 0.000 1.057 11 R CB 0.248 30.572 30.300 0.040 0.000 0.973 11 R HN 0.442 nan 8.270 nan 0.000 0.438 12 F N 6.926 126.866 119.950 -0.016 0.000 2.602 12 F HA 0.101 4.628 4.527 -0.000 0.000 0.385 12 F C -1.702 174.095 175.800 -0.006 0.000 1.063 12 F CA -1.374 56.617 58.000 -0.014 0.000 1.233 12 F CB 0.415 39.446 39.000 0.052 0.000 1.067 12 F HN 0.520 nan 8.300 nan 0.000 0.564 13 P HA -0.089 nan 4.420 nan 0.000 0.262 13 P C -0.810 176.428 177.300 -0.104 0.000 1.182 13 P CA 0.354 63.261 63.100 -0.322 0.000 0.761 13 P CB 0.351 31.774 31.700 -0.461 0.000 0.795 14 E N 3.626 123.823 120.200 -0.005 0.000 2.366 14 E HA 0.188 4.537 4.350 -0.000 0.000 0.266 14 E C 0.061 176.678 176.600 0.030 0.000 1.015 14 E CA 0.479 56.912 56.400 0.055 0.000 0.906 14 E CB 0.169 29.888 29.700 0.031 0.000 0.979 14 E HN 0.420 nan 8.360 nan 0.000 0.443 15 M N 1.074 120.714 119.600 0.067 0.000 2.471 15 M HA 0.420 4.900 4.480 -0.000 0.000 0.284 15 M C -1.068 175.249 176.300 0.027 0.000 1.203 15 M CA -0.867 54.454 55.300 0.035 0.000 0.915 15 M CB 1.984 34.602 32.600 0.030 0.000 1.734 15 M HN 0.040 nan 8.290 nan 0.000 0.485 16 E N 2.201 122.402 120.200 0.001 0.000 2.227 16 E HA 0.583 4.933 4.350 -0.000 0.000 0.282 16 E C -0.939 175.647 176.600 -0.022 0.000 1.015 16 E CA -0.632 55.757 56.400 -0.019 0.000 0.823 16 E CB 2.407 32.094 29.700 -0.022 0.000 1.081 16 E HN 0.604 nan 8.360 nan 0.000 0.396 17 V N 0.327 120.215 119.914 -0.043 0.000 2.876 17 V HA 0.546 4.666 4.120 -0.000 0.000 0.312 17 V C -0.246 175.809 176.094 -0.066 0.000 1.085 17 V CA -0.785 61.489 62.300 -0.043 0.000 0.945 17 V CB 2.012 33.815 31.823 -0.034 0.000 1.017 17 V HN 0.481 nan 8.190 nan 0.000 0.428 18 T N 3.689 118.209 114.554 -0.056 0.000 2.767 18 T HA 0.670 5.019 4.350 -0.000 0.000 0.288 18 T C 0.265 174.926 174.700 -0.065 0.000 0.963 18 T CA 0.248 62.306 62.100 -0.069 0.000 1.019 18 T CB 1.019 69.843 68.868 -0.073 0.000 0.923 18 T HN 1.272 nan 8.240 nan 0.000 0.468 19 T N -0.965 113.545 114.554 -0.073 0.000 2.926 19 T HA 0.384 4.733 4.350 -0.000 0.000 0.289 19 T C 0.700 175.381 174.700 -0.030 0.000 1.054 19 T CA -0.889 61.177 62.100 -0.057 0.000 1.015 19 T CB 1.414 70.209 68.868 -0.121 0.000 1.167 19 T HN 0.441 nan 8.240 nan 0.000 0.526 20 D N -1.092 119.312 120.400 0.006 0.000 2.378 20 D HA -0.070 4.570 4.640 -0.000 0.000 0.227 20 D C 0.962 177.373 176.300 0.184 0.000 1.012 20 D CA 0.755 54.791 54.000 0.060 0.000 0.905 20 D CB -0.621 40.238 40.800 0.098 0.000 0.895 20 D HN 0.851 nan 8.370 nan 0.000 0.532 21 H N -0.970 118.065 119.070 -0.060 0.000 2.705 21 H HA 0.430 4.985 4.556 -0.000 0.000 0.269 21 H C 0.895 176.180 175.328 -0.071 0.000 0.998 21 H CA -0.156 55.854 56.048 -0.062 0.000 1.193 21 H CB 1.091 30.814 29.762 -0.066 0.000 1.485 21 H HN 0.294 nan 8.280 nan 0.000 0.521 22 G N 0.566 109.388 108.800 0.035 0.000 2.354 22 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.582 22 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.582 22 G C -1.309 173.548 174.900 -0.071 0.000 1.316 22 G CA -0.836 44.250 45.100 -0.024 0.000 0.995 22 G HN 0.034 nan 8.290 nan 0.000 0.573 23 V N 1.171 121.039 119.914 -0.076 0.000 2.530 23 V HA 0.634 4.753 4.120 -0.000 0.000 0.282 23 V C 1.010 177.020 176.094 -0.141 0.000 1.048 23 V CA 0.514 62.759 62.300 -0.092 0.000 0.997 23 V CB 0.631 32.418 31.823 -0.061 0.000 0.987 23 V HN 1.050 nan 8.190 nan 0.000 0.477 24 I N 1.563 122.024 120.570 -0.182 0.000 3.074 24 I HA 0.689 4.858 4.170 -0.000 0.000 0.310 24 I C -0.802 175.215 176.117 -0.166 0.000 1.153 24 I CA -1.249 59.896 61.300 -0.259 0.000 0.993 24 I CB 2.359 40.009 38.000 -0.584 0.000 1.237 24 I HN 0.436 nan 8.210 nan 0.000 0.443 25 K N 3.598 123.922 120.400 -0.126 0.000 2.213 25 K HA 0.661 4.981 4.320 -0.000 0.000 0.270 25 K C -1.538 175.017 176.600 -0.075 0.000 1.002 25 K CA -0.567 55.682 56.287 -0.064 0.000 0.868 25 K CB 1.333 33.818 32.500 -0.025 0.000 1.093 25 K HN 0.647 nan 8.250 nan 0.000 0.454 26 L N 6.434 127.643 121.223 -0.024 0.000 2.325 26 L HA 0.440 4.780 4.340 -0.000 0.000 0.278 26 L C -1.546 175.433 176.870 0.181 0.000 1.023 26 L CA -2.071 52.769 54.840 0.000 0.000 0.811 26 L CB 1.904 43.970 42.059 0.011 0.000 1.249 26 L HN 0.632 nan 8.230 nan 0.000 0.431 27 P HA 0.017 nan 4.420 nan 0.000 0.249 27 P C 0.290 177.639 177.300 0.082 0.000 1.229 27 P CA 0.255 63.450 63.100 0.158 0.000 0.788 27 P CB 0.362 32.275 31.700 0.355 0.000 1.072 28 D N -0.014 120.413 120.400 0.045 0.000 2.157 28 D HA -0.244 4.396 4.640 -0.000 0.000 0.191 28 D C 1.868 178.129 176.300 -0.065 0.000 1.004 28 D CA 1.483 55.486 54.000 0.005 0.000 0.854 28 D CB -1.220 39.580 40.800 -0.001 0.000 0.936 28 D HN 0.311 nan 8.370 nan 0.000 0.446 29 H N -1.245 117.665 119.070 -0.265 0.000 2.357 29 H HA -0.196 4.360 4.556 -0.000 0.000 0.296 29 H C 1.551 176.585 175.328 -0.490 0.000 1.108 29 H CA 1.806 57.579 56.048 -0.458 0.000 1.273 29 H CB -0.178 29.138 29.762 -0.743 0.000 1.367 29 H HN 0.353 nan 8.280 nan 0.000 0.498 30 Y N -1.929 118.316 120.300 -0.092 0.000 2.343 30 Y HA -0.025 4.524 4.550 -0.000 0.000 0.294 30 Y C 2.666 178.570 175.900 0.006 0.000 1.122 30 Y CA 0.557 58.629 58.100 -0.047 0.000 1.173 30 Y CB -0.055 38.408 38.460 0.005 0.000 1.077 30 Y HN -0.000 nan 8.280 nan 0.000 0.542 31 V N -0.459 119.547 119.914 0.153 0.000 2.282 31 V HA -0.340 3.779 4.120 -0.000 0.000 0.249 31 V C 2.174 178.289 176.094 0.034 0.000 1.057 31 V CA 2.306 64.660 62.300 0.090 0.000 1.032 31 V CB -0.924 30.941 31.823 0.071 0.000 0.645 31 V HN 0.358 nan 8.190 nan 0.000 0.447 32 S N -0.760 114.928 115.700 -0.021 0.000 2.440 32 S HA -0.267 4.203 4.470 -0.000 0.000 0.240 32 S C 1.757 176.328 174.600 -0.048 0.000 1.014 32 S CA 1.461 59.629 58.200 -0.053 0.000 0.980 32 S CB -0.305 62.827 63.200 -0.114 0.000 0.775 32 S HN 0.726 nan 8.310 nan 0.000 0.499 33 Q N -0.485 119.293 119.800 -0.036 0.000 2.282 33 Q HA 0.276 4.616 4.340 -0.000 0.000 0.206 33 Q C 1.157 177.192 176.000 0.058 0.000 0.878 33 Q CA 0.229 56.028 55.803 -0.007 0.000 0.944 33 Q CB 0.549 29.275 28.738 -0.020 0.000 1.100 33 Q HN 0.556 nan 8.270 nan 0.000 0.509 34 G N 2.020 110.866 108.800 0.076 0.000 2.198 34 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.260 34 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.260 34 G C -0.169 174.839 174.900 0.182 0.000 1.025 34 G CA 0.471 45.637 45.100 0.110 0.000 0.769 34 G HN 0.139 nan 8.290 nan 0.000 0.507 35 K N -0.966 119.565 120.400 0.218 0.000 2.164 35 K HA 0.572 4.891 4.320 -0.000 0.000 0.258 35 K C 0.121 176.944 176.600 0.372 0.000 0.951 35 K CA -0.855 55.614 56.287 0.303 0.000 0.844 35 K CB 0.774 33.451 32.500 0.296 0.000 1.099 35 K HN 0.189 nan 8.250 nan 0.000 0.435 36 W N 3.401 124.750 121.300 0.083 0.000 2.129 36 W HA 0.308 4.968 4.660 -0.000 0.000 0.349 36 W C 0.037 176.562 176.519 0.010 0.000 1.279 36 W CA -0.040 57.320 57.345 0.024 0.000 1.306 36 W CB 0.160 29.610 29.460 -0.017 0.000 1.140 36 W HN 0.418 nan 8.180 nan 0.000 0.613 37 F N -1.029 118.894 119.950 -0.046 0.000 2.613 37 F HA 0.756 5.283 4.527 -0.000 0.000 0.310 37 F C -1.432 174.248 175.800 -0.200 0.000 1.085 37 F CA -1.725 56.073 58.000 -0.337 0.000 0.945 37 F CB 0.669 39.104 39.000 -0.941 0.000 1.298 37 F HN -0.058 nan 8.300 nan 0.000 0.455 38 V N 3.966 123.814 119.914 -0.110 0.000 2.347 38 V HA 0.392 4.512 4.120 -0.000 0.000 0.280 38 V C -0.501 175.547 176.094 -0.075 0.000 1.021 38 V CA -0.629 61.615 62.300 -0.093 0.000 0.847 38 V CB 1.370 33.148 31.823 -0.076 0.000 0.990 38 V HN 0.860 nan 8.190 nan 0.000 0.444 39 L N 7.384 128.607 121.223 -0.000 0.000 2.265 39 L HA 0.695 5.034 4.340 -0.000 0.000 0.289 39 L C -0.926 175.971 176.870 0.045 0.000 1.033 39 L CA -0.328 54.475 54.840 -0.062 0.000 0.814 39 L CB 0.583 42.715 42.059 0.121 0.000 1.203 39 L HN 0.665 nan 8.230 nan 0.000 0.423 40 F N 1.907 121.797 119.950 -0.099 0.000 2.507 40 F HA 0.745 5.272 4.527 -0.000 0.000 0.325 40 F C -0.280 175.520 175.800 -0.001 0.000 1.116 40 F CA -0.790 57.166 58.000 -0.073 0.000 0.930 40 F CB 1.310 40.224 39.000 -0.143 0.000 1.146 40 F HN 0.218 nan 8.300 nan 0.000 0.447 41 S N 2.075 117.791 115.700 0.025 0.000 2.537 41 S HA 0.549 5.019 4.470 -0.000 0.000 0.301 41 S C -1.162 173.250 174.600 -0.314 0.000 1.092 41 S CA -0.713 57.491 58.200 0.007 0.000 1.048 41 S CB 0.958 64.232 63.200 0.124 0.000 1.053 41 S HN 0.654 nan 8.310 nan 0.000 0.501 42 H N 0.937 120.155 119.070 0.247 0.000 2.771 42 H HA 0.262 4.818 4.556 -0.000 0.000 0.361 42 H C -2.276 173.158 175.328 0.177 0.000 1.108 42 H CA -1.793 54.392 56.048 0.228 0.000 1.201 42 H CB 1.855 31.794 29.762 0.295 0.000 1.681 42 H HN 0.275 nan 8.280 nan 0.000 0.534 43 P HA -0.018 nan 4.420 nan 0.000 0.218 43 P C -0.117 177.262 177.300 0.131 0.000 1.149 43 P CA 1.112 64.316 63.100 0.173 0.000 0.817 43 P CB 0.732 32.545 31.700 0.189 0.000 0.785 44 A N -1.853 121.023 122.820 0.093 0.000 2.567 44 A HA 0.424 4.744 4.320 -0.000 0.000 0.291 44 A C -1.564 175.848 177.584 -0.286 0.000 1.048 44 A CA -0.715 51.312 52.037 -0.016 0.000 0.661 44 A CB 0.180 19.165 19.000 -0.026 0.000 1.288 44 A HN -0.222 nan 8.150 nan 0.000 0.424 45 D N -0.412 119.726 120.400 -0.438 0.000 2.358 45 D HA 0.566 5.206 4.640 -0.000 0.000 0.244 45 D C 0.226 175.793 176.300 -1.222 0.000 1.163 45 D CA 0.394 53.598 54.000 -1.327 0.000 0.945 45 D CB -0.138 40.298 40.800 -0.606 0.000 1.152 45 D HN 0.581 nan 8.370 nan 0.000 0.451 46 F N -1.481 117.185 119.950 -2.140 0.000 3.074 46 F HA -0.239 4.288 4.527 -0.000 0.000 0.287 46 F C 0.410 175.819 175.800 -0.652 0.000 0.932 46 F CA 0.502 57.829 58.000 -1.123 0.000 0.995 46 F CB -2.021 36.568 39.000 -0.685 0.000 0.966 46 F HN 0.185 nan 8.300 nan 0.000 0.721 47 T N -2.373 111.901 114.554 -0.468 0.000 2.829 47 T HA 0.535 4.885 4.350 -0.000 0.000 0.280 47 T C -1.205 173.470 174.700 -0.041 0.000 0.999 47 T CA -1.674 60.316 62.100 -0.185 0.000 0.983 47 T CB 2.809 71.592 68.868 -0.141 0.000 0.968 47 T HN -0.139 nan 8.240 nan 0.000 0.446 48 P HA -0.002 nan 4.420 nan 0.000 0.215 48 P C 1.049 178.379 177.300 0.050 0.000 1.157 48 P CA 0.319 63.432 63.100 0.021 0.000 0.859 48 P CB -0.095 31.607 31.700 0.004 0.000 0.786 52 T N 1.460 116.058 114.554 0.074 0.000 2.788 52 T HA -0.054 4.295 4.350 -0.000 0.000 0.268 52 T C 1.531 176.283 174.700 0.087 0.000 1.044 52 T CA 1.875 64.026 62.100 0.086 0.000 1.139 52 T CB -0.313 68.594 68.868 0.065 0.000 0.867 52 T HN 0.485 nan 8.240 nan 0.000 0.454 53 E N 0.254 120.513 120.200 0.098 0.000 2.072 53 E HA 0.012 4.362 4.350 -0.000 0.000 0.191 53 E C 1.908 178.739 176.600 0.385 0.000 0.985 53 E CA 0.859 57.350 56.400 0.151 0.000 0.801 53 E CB -0.257 29.589 29.700 0.244 0.000 0.750 53 E HN 0.408 nan 8.360 nan 0.000 0.452 54 F N 0.674 120.722 119.950 0.164 0.000 2.126 54 F HA -0.195 4.332 4.527 -0.000 0.000 0.299 54 F C 2.292 178.228 175.800 0.227 0.000 1.096 54 F CA 0.669 58.827 58.000 0.263 0.000 1.255 54 F CB -1.005 37.964 39.000 -0.053 0.000 0.997 54 F HN -0.100 nan 8.300 nan 0.000 0.479 55 V N -1.245 118.850 119.914 0.302 0.000 2.358 55 V HA -0.247 3.872 4.120 -0.000 0.000 0.246 55 V C 2.563 178.751 176.094 0.156 0.000 1.047 55 V CA 1.850 64.260 62.300 0.183 0.000 1.035 55 V CB -0.847 31.059 31.823 0.138 0.000 0.658 55 V HN 0.385 nan 8.190 nan 0.000 0.452 56 S N -0.575 115.189 115.700 0.107 0.000 2.356 56 S HA -0.173 4.297 4.470 -0.000 0.000 0.223 56 S C 1.903 176.519 174.600 0.025 0.000 1.032 56 S CA 1.688 59.886 58.200 -0.004 0.000 1.005 56 S CB -0.416 62.695 63.200 -0.148 0.000 0.867 56 S HN 0.519 nan 8.310 nan 0.000 0.449 57 F N 1.772 121.771 119.950 0.082 0.000 2.102 57 F HA -0.050 4.477 4.527 -0.000 0.000 0.298 57 F C 2.695 178.669 175.800 0.290 0.000 1.105 57 F CA 1.006 59.062 58.000 0.092 0.000 1.239 57 F CB -0.641 38.203 39.000 -0.260 0.000 0.991 57 F HN 0.294 nan 8.300 nan 0.000 0.474 58 A N 0.147 123.267 122.820 0.500 0.000 1.908 58 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 58 A C 2.268 180.003 177.584 0.251 0.000 1.181 58 A CA 1.452 53.674 52.037 0.308 0.000 0.627 58 A CB -0.587 18.474 19.000 0.103 0.000 0.818 58 A HN 0.209 nan 8.150 nan 0.000 0.445 59 R N -0.615 120.004 120.500 0.198 0.000 2.152 59 R HA -0.041 4.299 4.340 -0.000 0.000 0.232 59 R C 1.449 177.857 176.300 0.180 0.000 1.117 59 R CA 1.274 57.463 56.100 0.149 0.000 0.981 59 R CB -0.245 30.111 30.300 0.094 0.000 0.870 59 R HN 0.523 nan 8.270 nan 0.000 0.451 60 R N -0.882 119.767 120.500 0.248 0.000 2.427 60 R HA 0.039 4.379 4.340 -0.000 0.000 0.262 60 R C 1.216 177.756 176.300 0.401 0.000 0.943 60 R CA -0.200 56.039 56.100 0.231 0.000 1.081 60 R CB 0.028 30.412 30.300 0.140 0.000 1.166 60 R HN 0.144 nan 8.270 nan 0.000 0.534 61 Y N 2.012 122.499 120.300 0.312 0.000 2.165 61 Y HA -0.254 4.296 4.550 -0.000 0.000 0.286 61 Y C 2.221 178.276 175.900 0.258 0.000 1.155 61 Y CA 1.854 60.159 58.100 0.341 0.000 1.164 61 Y CB 0.100 38.713 38.460 0.255 0.000 0.978 61 Y HN 0.098 nan 8.280 nan 0.000 0.513 62 E N -0.372 119.955 120.200 0.212 0.000 2.110 62 E HA -0.237 4.113 4.350 -0.000 0.000 0.193 62 E C 1.638 178.252 176.600 0.022 0.000 0.988 62 E CA 1.518 57.962 56.400 0.074 0.000 0.804 62 E CB -0.112 29.649 29.700 0.102 0.000 0.745 62 E HN 0.497 nan 8.360 nan 0.000 0.458 63 D N -0.241 120.172 120.400 0.021 0.000 2.097 63 D HA -0.158 4.482 4.640 -0.000 0.000 0.195 63 D C 1.729 177.940 176.300 -0.148 0.000 0.989 63 D CA 0.977 54.935 54.000 -0.069 0.000 0.827 63 D CB -0.439 40.274 40.800 -0.146 0.000 0.966 63 D HN 0.232 nan 8.370 nan 0.000 0.456 64 F N 1.113 121.023 119.950 -0.067 0.000 2.102 64 F HA -0.183 4.344 4.527 -0.000 0.000 0.298 64 F C 2.684 178.402 175.800 -0.137 0.000 1.105 64 F CA 0.837 58.776 58.000 -0.103 0.000 1.239 64 F CB -0.179 38.779 39.000 -0.070 0.000 0.991 64 F HN -0.127 nan 8.300 nan 0.000 0.474 65 Q N 0.499 120.280 119.800 -0.032 0.000 2.077 65 Q HA -0.203 4.137 4.340 -0.000 0.000 0.206 65 Q C 2.280 178.262 176.000 -0.031 0.000 0.989 65 Q CA 1.596 57.338 55.803 -0.101 0.000 0.853 65 Q CB -0.626 27.985 28.738 -0.211 0.000 0.907 65 Q HN 0.442 nan 8.270 nan 0.000 0.418 66 R N 0.034 120.520 120.500 -0.024 0.000 2.120 66 R HA -0.038 4.302 4.340 -0.000 0.000 0.234 66 R C 2.233 178.524 176.300 -0.016 0.000 1.123 66 R CA 0.667 56.760 56.100 -0.011 0.000 0.975 66 R CB -0.242 30.056 30.300 -0.003 0.000 0.866 66 R HN 0.230 nan 8.270 nan 0.000 0.446 67 L N -0.151 121.053 121.223 -0.031 0.000 2.554 67 L HA 0.083 4.423 4.340 -0.000 0.000 0.226 67 L C 0.816 177.643 176.870 -0.071 0.000 1.137 67 L CA 0.397 55.196 54.840 -0.069 0.000 0.863 67 L CB 0.018 42.008 42.059 -0.116 0.000 0.985 67 L HN 0.462 nan 8.230 nan 0.000 0.451 68 G N 0.673 109.467 108.800 -0.009 0.000 2.225 68 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.264 68 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.264 68 G C -0.205 174.748 174.900 0.087 0.000 1.060 68 G CA 0.134 45.258 45.100 0.041 0.000 0.833 68 G HN 0.133 nan 8.290 nan 0.000 0.498 69 V N 0.434 120.399 119.914 0.085 0.000 2.444 69 V HA 0.500 4.620 4.120 -0.000 0.000 0.294 69 V C -0.272 175.866 176.094 0.072 0.000 1.022 69 V CA -1.207 61.175 62.300 0.136 0.000 0.850 69 V CB 1.880 33.824 31.823 0.202 0.000 0.992 69 V HN 0.256 nan 8.190 nan 0.000 0.426 70 D N 3.319 123.727 120.400 0.014 0.000 2.340 70 D HA 0.645 5.285 4.640 -0.000 0.000 0.251 70 D C -0.471 175.702 176.300 -0.212 0.000 1.080 70 D CA -0.171 53.788 54.000 -0.067 0.000 0.971 70 D CB 2.178 42.953 40.800 -0.042 0.000 1.137 70 D HN 0.299 nan 8.370 nan 0.000 0.475 71 L N 1.352 122.460 121.223 -0.193 0.000 2.346 71 L HA 0.606 4.946 4.340 -0.000 0.000 0.274 71 L C -0.384 176.239 176.870 -0.412 0.000 1.007 71 L CA -0.785 53.835 54.840 -0.368 0.000 0.818 71 L CB 2.197 43.979 42.059 -0.462 0.000 1.284 71 L HN 0.202 nan 8.230 nan 0.000 0.424 72 I N 1.317 121.469 120.570 -0.695 0.000 2.586 72 I HA 0.547 4.716 4.170 -0.000 0.000 0.288 72 I C -0.064 175.328 176.117 -1.209 0.000 1.147 72 I CA -0.152 60.741 61.300 -0.678 0.000 1.047 72 I CB 1.755 39.526 38.000 -0.381 0.000 1.244 72 I HN 0.631 nan 8.210 nan 0.000 0.429 73 G N 6.015 114.175 108.800 -1.066 0.000 2.547 73 G HA2 0.616 4.576 3.960 -0.000 0.000 0.291 73 G HA3 0.616 4.576 3.960 -0.000 0.000 0.291 73 G C -1.544 173.157 174.900 -0.332 0.000 1.211 73 G CA -0.508 44.010 45.100 -0.969 0.000 0.950 73 G HN 0.597 nan 8.290 nan 0.000 0.504 74 L N -0.149 121.061 121.223 -0.022 0.000 2.505 74 L HA 0.739 5.079 4.340 -0.000 0.000 0.266 74 L C -0.549 176.487 176.870 0.276 0.000 0.954 74 L CA -0.437 54.465 54.840 0.104 0.000 0.852 74 L CB 2.163 44.274 42.059 0.086 0.000 1.282 74 L HN 0.639 nan 8.230 nan 0.000 0.403 75 S N 3.146 119.021 115.700 0.292 0.000 2.540 75 S HA 0.677 5.147 4.470 -0.000 0.000 0.275 75 S C -1.047 173.764 174.600 0.352 0.000 1.123 75 S CA -0.539 57.872 58.200 0.351 0.000 0.907 75 S CB 1.775 65.196 63.200 0.369 0.000 1.081 75 S HN 0.515 nan 8.310 nan 0.000 0.476 76 V N 4.897 124.961 119.914 0.250 0.000 2.153 76 V HA 0.427 4.547 4.120 -0.000 0.000 0.250 76 V C -0.257 175.934 176.094 0.162 0.000 1.334 76 V CA 0.170 62.574 62.300 0.173 0.000 1.249 76 V CB -0.894 30.998 31.823 0.114 0.000 1.371 76 V HN 0.741 nan 8.190 nan 0.000 0.498 77 D N 0.384 120.901 120.400 0.196 0.000 2.692 77 D HA 0.304 4.944 4.640 -0.000 0.000 0.290 77 D C -0.317 175.889 176.300 -0.156 0.000 1.281 77 D CA -0.297 53.762 54.000 0.098 0.000 0.804 77 D CB 2.316 43.239 40.800 0.206 0.000 1.331 77 D HN 0.418 nan 8.370 nan 0.000 0.432 78 S N -0.824 114.776 115.700 -0.167 0.000 2.614 78 S HA 0.157 4.627 4.470 -0.000 0.000 0.265 78 S C 1.317 175.579 174.600 -0.564 0.000 1.303 78 S CA -0.517 57.521 58.200 -0.270 0.000 1.000 78 S CB 1.389 64.574 63.200 -0.025 0.000 0.935 78 S HN 0.305 nan 8.310 nan 0.000 0.551 79 V N 1.676 121.223 119.914 -0.610 0.000 2.392 79 V HA -0.127 3.993 4.120 -0.000 0.000 0.249 79 V C 1.728 177.586 176.094 -0.393 0.000 1.059 79 V CA 1.946 63.906 62.300 -0.567 0.000 1.051 79 V CB -1.160 30.327 31.823 -0.559 0.000 0.658 79 V HN 0.852 nan 8.190 nan 0.000 0.455 80 F N 0.123 120.074 119.950 0.001 0.000 2.134 80 F HA -0.139 4.388 4.527 -0.000 0.000 0.299 80 F C 2.897 178.784 175.800 0.144 0.000 1.097 80 F CA 1.629 59.671 58.000 0.071 0.000 1.264 80 F CB -1.126 37.909 39.000 0.057 0.000 1.001 80 F HN 0.178 nan 8.300 nan 0.000 0.479 81 S N -0.558 115.312 115.700 0.283 0.000 2.370 81 S HA -0.230 4.240 4.470 -0.000 0.000 0.226 81 S C 2.041 176.890 174.600 0.414 0.000 1.033 81 S CA 1.585 59.996 58.200 0.353 0.000 1.011 81 S CB -0.442 62.928 63.200 0.283 0.000 0.852 81 S HN 0.357 nan 8.310 nan 0.000 0.457 82 H N 1.380 120.576 119.070 0.210 0.000 2.319 82 H HA 0.004 4.559 4.556 -0.000 0.000 0.299 82 H C 2.122 177.562 175.328 0.186 0.000 1.092 82 H CA 1.697 57.884 56.048 0.232 0.000 1.302 82 H CB -0.856 28.988 29.762 0.136 0.000 1.373 82 H HN 0.437 nan 8.280 nan 0.000 0.497 83 I N 0.373 121.113 120.570 0.284 0.000 2.226 83 I HA -0.247 3.922 4.170 -0.000 0.000 0.245 83 I C 2.247 178.514 176.117 0.249 0.000 1.100 83 I CA 1.113 62.540 61.300 0.211 0.000 1.374 83 I CB -0.145 37.964 38.000 0.182 0.000 1.057 83 I HN 0.084 nan 8.210 nan 0.000 0.413 84 K N -0.041 120.557 120.400 0.330 0.000 2.057 84 K HA -0.223 4.097 4.320 -0.000 0.000 0.207 84 K C 1.770 178.652 176.600 0.470 0.000 1.049 84 K CA 1.275 57.818 56.287 0.426 0.000 0.931 84 K CB -0.744 32.079 32.500 0.537 0.000 0.714 84 K HN 0.412 nan 8.250 nan 0.000 0.440 85 W N 2.622 123.883 121.300 -0.065 0.000 2.335 85 W HA -0.154 4.505 4.660 -0.000 0.000 0.311 85 W C 1.730 178.234 176.519 -0.024 0.000 1.213 85 W CA 1.419 58.453 57.345 -0.518 0.000 1.274 85 W CB -0.374 28.650 29.460 -0.727 0.000 1.148 85 W HN 0.031 nan 8.180 nan 0.000 0.498 86 K N -0.112 120.356 120.400 0.113 0.000 2.057 86 K HA -0.179 4.141 4.320 -0.000 0.000 0.207 86 K C 1.964 178.619 176.600 0.091 0.000 1.049 86 K CA 1.776 58.055 56.287 -0.014 0.000 0.931 86 K CB -0.393 32.054 32.500 -0.088 0.000 0.714 86 K HN 0.172 nan 8.250 nan 0.000 0.440 87 E N -0.182 120.120 120.200 0.169 0.000 2.097 87 E HA -0.249 4.101 4.350 -0.000 0.000 0.196 87 E C 1.716 178.462 176.600 0.243 0.000 1.000 87 E CA 1.409 57.914 56.400 0.175 0.000 0.804 87 E CB -0.163 29.663 29.700 0.211 0.000 0.740 87 E HN 0.409 nan 8.360 nan 0.000 0.454 88 W N 1.331 122.780 121.300 0.248 0.000 2.355 88 W HA -0.190 4.470 4.660 -0.000 0.000 0.309 88 W C 1.890 178.591 176.519 0.304 0.000 1.206 88 W CA 1.504 59.081 57.345 0.386 0.000 1.284 88 W CB -0.193 29.582 29.460 0.524 0.000 1.145 88 W HN -0.043 nan 8.180 nan 0.000 0.502 89 I N 0.342 121.222 120.570 0.517 0.000 2.127 89 I HA -0.337 3.833 4.170 -0.000 0.000 0.241 89 I C 2.480 178.597 176.117 0.001 0.000 1.075 89 I CA 2.109 63.580 61.300 0.286 0.000 1.334 89 I CB -0.861 37.252 38.000 0.188 0.000 1.040 89 I HN 0.093 nan 8.210 nan 0.000 0.405 90 E N 1.186 121.373 120.200 -0.021 0.000 2.058 90 E HA -0.303 4.047 4.350 -0.000 0.000 0.194 90 E C 2.384 178.894 176.600 -0.150 0.000 0.997 90 E CA 1.460 57.814 56.400 -0.077 0.000 0.801 90 E CB -0.051 29.610 29.700 -0.065 0.000 0.746 90 E HN 0.282 nan 8.360 nan 0.000 0.450 91 R N -0.750 119.622 120.500 -0.214 0.000 2.081 91 R HA -0.147 4.193 4.340 -0.000 0.000 0.235 91 R C 2.061 177.993 176.300 -0.613 0.000 1.131 91 R CA 1.813 57.672 56.100 -0.402 0.000 0.960 91 R CB -0.101 29.922 30.300 -0.463 0.000 0.856 91 R HN 0.370 nan 8.270 nan 0.000 0.436 92 H N -1.140 117.612 119.070 -0.531 0.000 2.553 92 H HA 0.140 4.696 4.556 -0.000 0.000 0.276 92 H C 1.766 176.881 175.328 -0.356 0.000 0.979 92 H CA 0.929 56.612 56.048 -0.607 0.000 1.268 92 H CB 0.645 29.640 29.762 -1.278 0.000 1.450 92 H HN 0.254 nan 8.280 nan 0.000 0.527 93 I N -0.761 119.701 120.570 -0.181 0.000 3.939 93 I HA 0.121 4.291 4.170 -0.000 0.000 0.313 93 I C 1.339 177.432 176.117 -0.041 0.000 1.274 93 I CA 0.596 61.875 61.300 -0.035 0.000 1.301 93 I CB 0.764 38.803 38.000 0.065 0.000 1.105 93 I HN 0.253 nan 8.210 nan 0.000 0.427 94 G N 2.076 110.826 108.800 -0.084 0.000 2.136 94 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.242 94 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.242 94 G C 0.019 174.890 174.900 -0.047 0.000 0.989 94 G CA 0.012 45.068 45.100 -0.073 0.000 0.682 94 G HN 0.171 nan 8.290 nan 0.000 0.522 95 V N 0.655 120.547 119.914 -0.037 0.000 2.448 95 V HA 0.539 4.659 4.120 -0.000 0.000 0.295 95 V C 0.756 176.811 176.094 -0.065 0.000 1.025 95 V CA -0.990 61.291 62.300 -0.032 0.000 0.859 95 V CB 1.710 33.534 31.823 0.002 0.000 0.988 95 V HN 0.439 nan 8.190 nan 0.000 0.431 96 R N 4.571 125.018 120.500 -0.088 0.000 2.340 96 R HA 0.380 4.720 4.340 -0.000 0.000 0.300 96 R C -0.689 175.479 176.300 -0.220 0.000 1.069 96 R CA -0.629 55.389 56.100 -0.135 0.000 0.984 96 R CB 0.583 30.808 30.300 -0.125 0.000 1.003 96 R HN 0.524 nan 8.270 nan 0.000 0.459 97 I N 8.455 128.836 120.570 -0.315 0.000 2.322 97 I HA 0.144 4.314 4.170 -0.000 0.000 0.292 97 I C -1.372 174.343 176.117 -0.671 0.000 1.060 97 I CA -2.586 58.350 61.300 -0.608 0.000 1.309 97 I CB 1.089 38.627 38.000 -0.770 0.000 1.415 97 I HN 0.614 nan 8.210 nan 0.000 0.492 98 P HA 0.020 nan 4.420 nan 0.000 0.245 98 P C 0.049 177.152 177.300 -0.328 0.000 1.203 98 P CA 0.447 63.222 63.100 -0.542 0.000 0.792 98 P CB 0.159 31.318 31.700 -0.902 0.000 0.997 99 F N 0.746 120.541 119.950 -0.259 0.000 2.399 99 F HA 0.742 5.269 4.527 -0.000 0.000 0.328 99 F C -2.600 172.897 175.800 -0.505 0.000 1.084 99 F CA -4.141 53.723 58.000 -0.227 0.000 1.053 99 F CB -0.747 38.150 39.000 -0.171 0.000 1.209 99 F HN -0.301 nan 8.300 nan 0.000 0.502 100 P HA 0.259 nan 4.420 nan 0.000 0.272 100 P C -0.740 176.360 177.300 -0.334 0.000 1.223 100 P CA 0.081 62.724 63.100 -0.763 0.000 0.784 100 P CB 1.358 32.693 31.700 -0.608 0.000 0.923 101 I N 2.689 123.090 120.570 -0.281 0.000 2.418 101 I HA 0.321 4.491 4.170 -0.000 0.000 0.287 101 I C 0.692 176.809 176.117 0.001 0.000 1.008 101 I CA -1.113 60.075 61.300 -0.186 0.000 1.104 101 I CB 1.362 39.193 38.000 -0.282 0.000 1.264 101 I HN 0.163 nan 8.210 nan 0.000 0.438 102 I N 5.452 126.017 120.570 -0.008 0.000 2.662 102 I HA 0.063 4.232 4.170 -0.000 0.000 0.285 102 I C 0.934 177.202 176.117 0.251 0.000 1.161 102 I CA 0.285 61.624 61.300 0.065 0.000 1.415 102 I CB 0.601 38.613 38.000 0.021 0.000 1.385 102 I HN 0.662 nan 8.210 nan 0.000 0.552 103 A N 5.228 128.126 122.820 0.131 0.000 2.350 103 A HA 0.201 4.521 4.320 -0.000 0.000 0.293 103 A C 0.045 177.635 177.584 0.009 0.000 1.231 103 A CA -0.211 51.809 52.037 -0.028 0.000 0.883 103 A CB -0.018 18.835 19.000 -0.244 0.000 1.133 103 A HN 0.713 nan 8.150 nan 0.000 0.533 104 D N 3.444 123.885 120.400 0.068 0.000 2.943 104 D HA 0.299 4.939 4.640 -0.000 0.000 0.347 104 D C -2.544 173.780 176.300 0.041 0.000 1.305 104 D CA -1.629 52.405 54.000 0.058 0.000 0.870 104 D CB 0.737 41.595 40.800 0.097 0.000 1.081 104 D HN 0.295 nan 8.370 nan 0.000 0.492 105 P HA 0.134 nan 4.420 nan 0.000 0.277 105 P C 0.269 177.578 177.300 0.014 0.000 1.240 105 P CA 0.155 63.262 63.100 0.012 0.000 0.798 105 P CB 1.247 32.946 31.700 -0.003 0.000 0.979 106 Q N 0.428 120.239 119.800 0.018 0.000 2.404 106 Q HA -0.218 4.122 4.340 -0.000 0.000 0.151 106 Q C 1.022 177.033 176.000 0.019 0.000 0.589 106 Q CA 1.339 57.151 55.803 0.015 0.000 1.298 106 Q CB -2.327 26.417 28.738 0.010 0.000 1.175 106 Q HN 0.957 nan 8.270 nan 0.000 1.025 107 G N -0.176 108.642 108.800 0.029 0.000 2.225 107 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.267 107 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.267 107 G C 0.519 175.437 174.900 0.029 0.000 1.024 107 G CA 1.343 46.466 45.100 0.038 0.000 0.784 107 G HN 0.399 nan 8.290 nan 0.000 0.507 108 T N -0.310 114.257 114.554 0.020 0.000 2.746 108 T HA -0.095 4.255 4.350 -0.000 0.000 0.267 108 T C 2.604 177.309 174.700 0.008 0.000 1.039 108 T CA 1.685 63.791 62.100 0.010 0.000 1.142 108 T CB -0.089 68.782 68.868 0.004 0.000 0.866 108 T HN 0.314 nan 8.240 nan 0.000 0.444 109 V N 1.693 121.618 119.914 0.017 0.000 2.307 109 V HA -0.109 4.011 4.120 -0.000 0.000 0.245 109 V C 2.919 179.025 176.094 0.020 0.000 1.045 109 V CA 1.550 63.859 62.300 0.014 0.000 1.024 109 V CB -1.264 30.580 31.823 0.034 0.000 0.651 109 V HN 0.512 nan 8.190 nan 0.000 0.449 110 A N -0.100 122.751 122.820 0.052 0.000 1.908 110 A HA -0.284 4.036 4.320 -0.000 0.000 0.218 110 A C 2.407 180.026 177.584 0.059 0.000 1.181 110 A CA 2.243 54.327 52.037 0.078 0.000 0.627 110 A CB -0.578 18.479 19.000 0.094 0.000 0.818 110 A HN 0.467 nan 8.150 nan 0.000 0.445 111 R N -1.099 119.421 120.500 0.034 0.000 2.075 111 R HA -0.136 4.204 4.340 -0.000 0.000 0.232 111 R C 2.419 178.720 176.300 0.002 0.000 1.126 111 R CA 1.624 57.736 56.100 0.021 0.000 0.963 111 R CB -0.177 30.130 30.300 0.011 0.000 0.858 111 R HN 0.445 nan 8.270 nan 0.000 0.435 112 R N 0.547 121.034 120.500 -0.021 0.000 2.152 112 R HA -0.040 4.300 4.340 -0.000 0.000 0.232 112 R C 1.507 177.750 176.300 -0.095 0.000 1.117 112 R CA 1.314 57.378 56.100 -0.060 0.000 0.981 112 R CB -0.219 30.034 30.300 -0.078 0.000 0.870 112 R HN 0.259 nan 8.270 nan 0.000 0.451 113 L N -0.762 120.416 121.223 -0.075 0.000 2.592 113 L HA 0.304 4.643 4.340 -0.000 0.000 0.227 113 L C 0.993 177.923 176.870 0.100 0.000 1.127 113 L CA 0.375 55.169 54.840 -0.077 0.000 0.884 113 L CB 0.141 42.126 42.059 -0.124 0.000 1.065 113 L HN 0.536 nan 8.230 nan 0.000 0.457 114 G N 0.501 109.344 108.800 0.072 0.000 2.160 114 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.251 114 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.251 114 G C 0.638 175.613 174.900 0.125 0.000 1.008 114 G CA 0.303 45.454 45.100 0.085 0.000 0.724 114 G HN 0.367 nan 8.290 nan 0.000 0.514 115 L N -1.205 120.114 121.223 0.161 0.000 2.591 115 L HA 0.489 4.829 4.340 -0.000 0.000 0.228 115 L C 1.442 178.380 176.870 0.114 0.000 1.133 115 L CA 0.300 55.251 54.840 0.184 0.000 0.880 115 L CB 0.032 42.236 42.059 0.243 0.000 1.033 115 L HN 0.313 nan 8.230 nan 0.000 0.450 122 T N -2.171 112.208 114.554 -0.292 0.000 3.144 122 T HA 0.150 4.500 4.350 -0.000 0.000 0.249 122 T C 0.911 175.618 174.700 0.012 0.000 1.089 122 T CA 1.072 63.121 62.100 -0.086 0.000 0.989 122 T CB -0.550 68.316 68.868 -0.003 0.000 0.992 122 T HN 0.627 nan 8.240 nan 0.000 0.540 123 H N 2.386 121.487 119.070 0.052 0.000 2.489 123 H HA -0.046 4.510 4.556 -0.000 0.000 0.295 123 H C 2.501 177.871 175.328 0.070 0.000 1.082 123 H CA 1.782 57.863 56.048 0.056 0.000 1.295 123 H CB -0.880 28.907 29.762 0.042 0.000 1.380 123 H HN 0.682 nan 8.280 nan 0.000 0.548 124 T N -1.912 112.738 114.554 0.160 0.000 3.148 124 T HA 0.094 4.444 4.350 -0.000 0.000 0.253 124 T C 0.987 175.781 174.700 0.156 0.000 1.134 124 T CA -0.036 62.148 62.100 0.139 0.000 1.051 124 T CB -0.469 68.455 68.868 0.094 0.000 0.959 124 T HN -0.046 nan 8.240 nan 0.000 0.525 125 V N 2.927 122.930 119.914 0.148 0.000 2.229 125 V HA 0.389 4.509 4.120 -0.000 0.000 0.245 125 V C 0.824 177.002 176.094 0.139 0.000 1.243 125 V CA -0.174 62.219 62.300 0.155 0.000 1.176 125 V CB -0.589 31.318 31.823 0.140 0.000 1.323 125 V HN 0.372 nan 8.190 nan 0.000 0.499 126 R N 1.972 122.560 120.500 0.147 0.000 2.526 126 R HA 0.209 4.549 4.340 -0.000 0.000 0.346 126 R C 0.888 177.197 176.300 0.015 0.000 0.926 126 R CA 0.155 56.302 56.100 0.078 0.000 1.147 126 R CB 1.170 31.547 30.300 0.129 0.000 1.629 126 R HN 0.629 nan 8.270 nan 0.000 0.516 127 G N 0.999 109.802 108.800 0.006 0.000 2.491 127 G HA2 0.305 4.265 3.960 -0.000 0.000 0.242 127 G HA3 0.305 4.265 3.960 -0.000 0.000 0.242 127 G C -0.255 174.415 174.900 -0.383 0.000 1.266 127 G CA -0.013 44.794 45.100 -0.488 0.000 0.844 127 G HN -0.082 nan 8.290 nan 0.000 0.571 128 V N 2.134 121.674 119.914 -0.623 0.000 2.448 128 V HA 0.467 4.587 4.120 -0.000 0.000 0.295 128 V C -0.884 174.900 176.094 -0.517 0.000 1.025 128 V CA -0.517 61.610 62.300 -0.289 0.000 0.859 128 V CB 1.139 32.899 31.823 -0.105 0.000 0.988 128 V HN 0.538 nan 8.190 nan 0.000 0.431 129 F N 4.979 124.902 119.950 -0.045 0.000 2.449 129 F HA 0.609 5.136 4.527 -0.000 0.000 0.342 129 F C 0.154 175.889 175.800 -0.109 0.000 1.127 129 F CA -0.675 57.304 58.000 -0.035 0.000 0.975 129 F CB 1.420 40.472 39.000 0.087 0.000 1.146 129 F HN 0.226 nan 8.300 nan 0.000 0.444 130 I N 4.512 125.111 120.570 0.048 0.000 2.312 130 I HA 0.440 4.610 4.170 -0.000 0.000 0.290 130 I C -0.851 175.199 176.117 -0.110 0.000 1.008 130 I CA -0.781 60.521 61.300 0.003 0.000 1.226 130 I CB 1.262 39.333 38.000 0.119 0.000 1.371 130 I HN 0.226 nan 8.210 nan 0.000 0.468 131 V N 5.370 125.049 119.914 -0.392 0.000 2.540 131 V HA 0.243 4.362 4.120 -0.000 0.000 0.302 131 V C -0.275 175.390 176.094 -0.714 0.000 1.035 131 V CA -0.776 61.146 62.300 -0.629 0.000 0.873 131 V CB 1.961 33.038 31.823 -1.244 0.000 0.992 131 V HN 0.790 nan 8.190 nan 0.000 0.428 132 D N 4.214 124.041 120.400 -0.955 0.000 2.447 132 D HA 0.369 5.009 4.640 -0.000 0.000 0.265 132 D C 1.111 176.881 176.300 -0.883 0.000 1.250 132 D CA -0.029 52.922 54.000 -1.748 0.000 1.046 132 D CB 1.219 40.876 40.800 -1.905 0.000 1.095 132 D HN 0.501 nan 8.370 nan 0.000 0.555 133 A N -0.593 121.764 122.820 -0.771 0.000 2.209 133 A HA -0.052 4.268 4.320 -0.000 0.000 0.212 133 A C 1.833 179.355 177.584 -0.103 0.000 1.158 133 A CA 0.560 52.490 52.037 -0.179 0.000 0.742 133 A CB -0.544 18.482 19.000 0.043 0.000 0.790 133 A HN 0.505 nan 8.150 nan 0.000 0.472 134 R N -1.356 119.039 120.500 -0.175 0.000 2.334 134 R HA 0.252 4.592 4.340 -0.000 0.000 0.216 134 R C 1.144 177.405 176.300 -0.064 0.000 0.905 134 R CA 0.498 56.545 56.100 -0.088 0.000 1.064 134 R CB 0.120 30.368 30.300 -0.087 0.000 1.046 134 R HN 0.573 nan 8.270 nan 0.000 0.508 135 G N 0.802 109.550 108.800 -0.087 0.000 2.136 135 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.242 135 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.242 135 G C 0.047 174.936 174.900 -0.019 0.000 0.989 135 G CA -0.012 45.091 45.100 0.005 0.000 0.682 135 G HN 0.143 nan 8.290 nan 0.000 0.522 136 V N 1.621 121.457 119.914 -0.130 0.000 2.439 136 V HA 0.452 4.572 4.120 -0.000 0.000 0.282 136 V C 1.182 177.198 176.094 -0.129 0.000 1.039 136 V CA -0.732 61.508 62.300 -0.098 0.000 0.913 136 V CB 1.581 33.335 31.823 -0.114 0.000 0.983 136 V HN 0.313 nan 8.190 nan 0.000 0.460 137 I N 6.420 126.981 120.570 -0.015 0.000 2.581 137 I HA 0.143 4.313 4.170 -0.000 0.000 0.285 137 I C 1.275 177.391 176.117 -0.002 0.000 1.129 137 I CA 0.045 61.363 61.300 0.030 0.000 1.397 137 I CB 0.382 38.481 38.000 0.166 0.000 1.399 137 I HN 0.619 nan 8.210 nan 0.000 0.537 138 R N 3.393 123.878 120.500 -0.025 0.000 2.225 138 R HA 0.283 4.623 4.340 -0.000 0.000 0.194 138 R C 0.044 176.380 176.300 0.060 0.000 0.957 138 R CA 0.429 56.533 56.100 0.007 0.000 1.042 138 R CB 0.375 30.680 30.300 0.008 0.000 1.004 138 R HN 0.526 nan 8.270 nan 0.000 0.509 139 T N 0.612 115.205 114.554 0.065 0.000 2.942 139 T HA 0.542 4.892 4.350 -0.000 0.000 0.327 139 T C -0.964 173.743 174.700 0.011 0.000 1.360 139 T CA -0.521 61.612 62.100 0.055 0.000 1.055 139 T CB 2.520 71.432 68.868 0.073 0.000 1.261 139 T HN -0.131 nan 8.240 nan 0.000 0.485 140 M N 2.889 122.476 119.600 -0.022 0.000 2.386 140 M HA 0.593 5.073 4.480 -0.000 0.000 0.293 140 M C -1.597 174.602 176.300 -0.169 0.000 1.120 140 M CA -0.662 54.518 55.300 -0.200 0.000 0.909 140 M CB 2.122 34.624 32.600 -0.164 0.000 1.661 140 M HN 0.307 nan 8.290 nan 0.000 0.452 141 L N 2.744 123.754 121.223 -0.355 0.000 2.386 141 L HA 0.550 4.890 4.340 -0.000 0.000 0.271 141 L C -1.583 175.088 176.870 -0.331 0.000 0.993 141 L CA -0.720 54.050 54.840 -0.117 0.000 0.819 141 L CB 1.710 43.840 42.059 0.117 0.000 1.294 141 L HN 0.622 nan 8.230 nan 0.000 0.414 142 Y N 1.770 122.095 120.300 0.041 0.000 2.787 142 Y HA 0.396 4.946 4.550 -0.000 0.000 0.352 142 Y C -0.784 175.147 175.900 0.053 0.000 1.027 142 Y CA -0.650 57.470 58.100 0.033 0.000 1.219 142 Y CB 0.503 38.944 38.460 -0.030 0.000 1.110 142 Y HN 0.322 nan 8.280 nan 0.000 0.614 143 Y N 3.991 124.325 120.300 0.056 0.000 2.304 143 Y HA 0.336 4.886 4.550 -0.000 0.000 0.328 143 Y C -1.869 174.068 175.900 0.061 0.000 1.123 143 Y CA -2.716 55.414 58.100 0.049 0.000 1.218 143 Y CB 0.573 39.046 38.460 0.023 0.000 1.207 143 Y HN 0.314 nan 8.280 nan 0.000 0.495 144 P HA 0.077 nan 4.420 nan 0.000 0.277 144 P C 0.379 177.756 177.300 0.127 0.000 1.271 144 P CA -0.408 62.771 63.100 0.132 0.000 0.795 144 P CB 0.801 32.548 31.700 0.079 0.000 1.101 145 M N -0.632 119.026 119.600 0.097 0.000 2.476 145 M HA -0.045 4.435 4.480 -0.000 0.000 0.262 145 M C 1.351 177.690 176.300 0.065 0.000 1.079 145 M CA 1.563 56.917 55.300 0.090 0.000 1.104 145 M CB -0.793 31.857 32.600 0.083 0.000 1.409 145 M HN 0.218 nan 8.290 nan 0.000 0.467 146 E N 1.312 121.540 120.200 0.046 0.000 2.489 146 E HA 0.100 4.450 4.350 -0.000 0.000 0.193 146 E C 0.073 176.707 176.600 0.057 0.000 1.057 146 E CA 0.127 56.546 56.400 0.033 0.000 0.866 146 E CB 0.273 29.977 29.700 0.007 0.000 0.916 146 E HN 0.613 nan 8.360 nan 0.000 0.500 147 L N 1.499 122.779 121.223 0.095 0.000 2.446 147 L HA 0.478 4.818 4.340 -0.000 0.000 0.268 147 L C -0.085 176.873 176.870 0.148 0.000 0.975 147 L CA -0.537 54.380 54.840 0.128 0.000 0.848 147 L CB 1.588 43.745 42.059 0.163 0.000 1.225 147 L HN 0.066 nan 8.230 nan 0.000 0.410 148 G N 4.217 113.065 108.800 0.080 0.000 2.484 148 G HA2 0.148 4.108 3.960 -0.000 0.000 0.235 148 G HA3 0.148 4.108 3.960 -0.000 0.000 0.235 148 G C 0.097 174.928 174.900 -0.116 0.000 1.282 148 G CA -0.328 44.775 45.100 0.005 0.000 0.857 148 G HN 0.707 nan 8.290 nan 0.000 0.571 149 R N -0.313 119.994 120.500 -0.321 0.000 2.707 149 R HA 0.236 4.576 4.340 -0.000 0.000 0.270 149 R C -0.298 175.745 176.300 -0.428 0.000 1.083 149 R CA -0.675 54.989 56.100 -0.726 0.000 1.182 149 R CB 0.604 30.498 30.300 -0.676 0.000 1.084 149 R HN 0.335 nan 8.270 nan 0.000 0.528 150 L N 2.710 123.691 121.223 -0.403 0.000 2.287 150 L HA 0.138 4.478 4.340 -0.000 0.000 0.280 150 L C 0.463 177.183 176.870 -0.251 0.000 1.055 150 L CA 0.126 54.843 54.840 -0.207 0.000 0.863 150 L CB 1.411 43.432 42.059 -0.062 0.000 1.245 150 L HN 0.515 nan 8.230 nan 0.000 0.432 151 V N 2.983 122.703 119.914 -0.324 0.000 2.626 151 V HA -0.150 3.970 4.120 -0.000 0.000 0.252 151 V C 1.623 177.559 176.094 -0.262 0.000 1.067 151 V CA 1.505 63.559 62.300 -0.411 0.000 1.081 151 V CB -0.616 30.804 31.823 -0.671 0.000 0.686 151 V HN 0.721 nan 8.190 nan 0.000 0.468 152 D N 0.143 120.419 120.400 -0.207 0.000 2.218 152 D HA -0.189 4.450 4.640 -0.000 0.000 0.204 152 D C 2.162 178.366 176.300 -0.160 0.000 0.976 152 D CA 1.358 55.242 54.000 -0.194 0.000 0.853 152 D CB 0.033 40.787 40.800 -0.076 0.000 0.939 152 D HN 0.520 nan 8.370 nan 0.000 0.481 153 E N 1.059 121.201 120.200 -0.096 0.000 2.150 153 E HA -0.101 4.249 4.350 -0.000 0.000 0.193 153 E C 2.087 178.661 176.600 -0.043 0.000 0.985 153 E CA 0.587 56.966 56.400 -0.036 0.000 0.814 153 E CB -0.319 29.388 29.700 0.013 0.000 0.752 153 E HN 0.307 nan 8.360 nan 0.000 0.466 154 I N 0.028 120.561 120.570 -0.061 0.000 2.315 154 I HA -0.231 3.939 4.170 -0.000 0.000 0.248 154 I C 2.214 178.302 176.117 -0.049 0.000 1.117 154 I CA 0.723 62.038 61.300 0.025 0.000 1.404 154 I CB -0.209 37.875 38.000 0.140 0.000 1.071 154 I HN 0.156 nan 8.210 nan 0.000 0.419 155 L N 0.233 121.265 121.223 -0.318 0.000 2.056 155 L HA -0.190 4.150 4.340 -0.000 0.000 0.207 155 L C 2.800 179.396 176.870 -0.456 0.000 1.078 155 L CA 1.224 55.628 54.840 -0.726 0.000 0.749 155 L CB -0.499 40.658 42.059 -1.504 0.000 0.901 155 L HN 0.198 nan 8.230 nan 0.000 0.433 156 R N 0.532 120.906 120.500 -0.209 0.000 2.081 156 R HA -0.163 4.177 4.340 -0.000 0.000 0.235 156 R C 2.298 178.642 176.300 0.074 0.000 1.131 156 R CA 1.453 57.612 56.100 0.098 0.000 0.960 156 R CB -0.232 30.157 30.300 0.149 0.000 0.856 156 R HN 0.292 nan 8.270 nan 0.000 0.436 157 I N 0.127 120.711 120.570 0.024 0.000 2.127 157 I HA -0.296 3.874 4.170 -0.000 0.000 0.241 157 I C 2.315 178.427 176.117 -0.009 0.000 1.075 157 I CA 1.246 62.569 61.300 0.037 0.000 1.334 157 I CB -0.264 37.770 38.000 0.058 0.000 1.040 157 I HN 0.019 nan 8.210 nan 0.000 0.405 158 V N 0.853 120.728 119.914 -0.066 0.000 2.343 158 V HA -0.306 3.814 4.120 -0.000 0.000 0.247 158 V C 2.508 178.423 176.094 -0.299 0.000 1.051 158 V CA 2.029 64.183 62.300 -0.243 0.000 1.036 158 V CB -0.688 30.974 31.823 -0.268 0.000 0.654 158 V HN 0.367 nan 8.190 nan 0.000 0.451 159 K N 1.124 121.445 120.400 -0.133 0.000 2.032 159 K HA -0.142 4.177 4.320 -0.000 0.000 0.209 159 K C 2.068 178.636 176.600 -0.053 0.000 1.048 159 K CA 1.963 58.231 56.287 -0.032 0.000 0.927 159 K CB -0.783 31.842 32.500 0.208 0.000 0.712 159 K HN 0.388 nan 8.250 nan 0.000 0.441 160 A N 0.213 123.018 122.820 -0.026 0.000 1.898 160 A HA -0.076 4.244 4.320 -0.000 0.000 0.216 160 A C 2.006 179.490 177.584 -0.166 0.000 1.181 160 A CA 1.270 53.208 52.037 -0.165 0.000 0.620 160 A CB -0.569 18.384 19.000 -0.079 0.000 0.819 160 A HN 0.287 nan 8.150 nan 0.000 0.442 161 L N -0.036 121.138 121.223 -0.081 0.000 2.046 161 L HA -0.107 4.233 4.340 -0.000 0.000 0.208 161 L C 2.292 179.173 176.870 0.019 0.000 1.077 161 L CA 1.910 56.763 54.840 0.022 0.000 0.747 161 L CB -0.968 41.206 42.059 0.191 0.000 0.896 161 L HN 0.383 nan 8.230 nan 0.000 0.432 162 K N -0.910 119.410 120.400 -0.134 0.000 2.097 162 K HA -0.130 4.190 4.320 -0.000 0.000 0.205 162 K C 2.117 178.688 176.600 -0.050 0.000 1.050 162 K CA 0.946 57.173 56.287 -0.099 0.000 0.938 162 K CB -0.163 32.176 32.500 -0.268 0.000 0.718 162 K HN 0.232 nan 8.250 nan 0.000 0.442 163 L N -0.012 121.151 121.223 -0.100 0.000 2.027 163 L HA -0.122 4.218 4.340 -0.000 0.000 0.206 163 L C 2.555 179.360 176.870 -0.109 0.000 1.074 163 L CA 1.427 56.202 54.840 -0.109 0.000 0.745 163 L CB -0.790 41.151 42.059 -0.197 0.000 0.898 163 L HN 0.338 nan 8.230 nan 0.000 0.433 164 G N -0.427 108.289 108.800 -0.140 0.000 2.440 164 G HA2 -0.285 3.674 3.960 -0.000 0.000 0.218 164 G HA3 -0.285 3.674 3.960 -0.000 0.000 0.218 164 G C 1.130 176.013 174.900 -0.028 0.000 1.154 164 G CA 1.058 46.096 45.100 -0.104 0.000 0.767 164 G HN 0.301 nan 8.290 nan 0.000 0.552 165 D N 0.659 121.071 120.400 0.020 0.000 2.097 165 D HA -0.107 4.533 4.640 -0.000 0.000 0.195 165 D C 3.029 179.355 176.300 0.043 0.000 0.989 165 D CA 1.699 55.734 54.000 0.059 0.000 0.827 165 D CB -0.398 40.483 40.800 0.135 0.000 0.966 165 D HN 0.468 nan 8.370 nan 0.000 0.456 166 S N -0.354 115.367 115.700 0.035 0.000 2.414 166 S HA -0.042 4.427 4.470 -0.000 0.000 0.227 166 S C 1.631 176.245 174.600 0.024 0.000 1.022 166 S CA 0.351 58.572 58.200 0.034 0.000 0.958 166 S CB -0.060 63.159 63.200 0.032 0.000 0.797 166 S HN 0.046 nan 8.310 nan 0.000 0.493 167 L N 0.976 122.204 121.223 0.009 0.000 2.607 167 L HA 0.394 4.734 4.340 -0.000 0.000 0.228 167 L C 0.264 177.141 176.870 0.012 0.000 1.123 167 L CA 0.343 55.190 54.840 0.012 0.000 0.890 167 L CB -0.821 41.238 42.059 0.000 0.000 1.103 167 L HN 0.170 nan 8.230 nan 0.000 0.468 168 K N 0.913 121.317 120.400 0.007 0.000 3.244 168 K HA -0.197 4.122 4.320 -0.000 0.000 0.270 168 K C -0.279 176.313 176.600 -0.012 0.000 1.016 168 K CA 0.479 56.770 56.287 0.006 0.000 0.754 168 K CB -1.441 31.072 32.500 0.022 0.000 1.326 168 K HN 0.253 nan 8.250 nan 0.000 0.465 169 R N -0.814 119.664 120.500 -0.037 0.000 2.771 169 R HA 0.653 4.993 4.340 -0.000 0.000 0.274 169 R C -0.176 176.071 176.300 -0.087 0.000 0.987 169 R CA -0.432 55.632 56.100 -0.061 0.000 0.908 169 R CB 1.994 32.252 30.300 -0.069 0.000 1.213 169 R HN 0.252 nan 8.270 nan 0.000 0.468 170 A N 1.262 124.026 122.820 -0.093 0.000 2.286 170 A HA 0.603 4.923 4.320 -0.000 0.000 0.286 170 A C -0.403 177.085 177.584 -0.161 0.000 1.097 170 A CA -0.478 51.494 52.037 -0.110 0.000 0.821 170 A CB 0.887 19.829 19.000 -0.097 0.000 1.076 170 A HN 0.316 nan 8.150 nan 0.000 0.490 171 V N 3.462 123.271 119.914 -0.174 0.000 2.409 171 V HA 0.405 4.525 4.120 -0.000 0.000 0.291 171 V C -1.949 174.080 176.094 -0.108 0.000 1.020 171 V CA -1.156 60.996 62.300 -0.246 0.000 0.848 171 V CB 1.301 32.931 31.823 -0.321 0.000 0.990 171 V HN 0.933 nan 8.190 nan 0.000 0.430 172 P HA 0.306 nan 4.420 nan 0.000 0.274 172 P C -0.264 177.078 177.300 0.071 0.000 1.246 172 P CA -0.285 62.818 63.100 0.006 0.000 0.795 172 P CB 0.781 32.499 31.700 0.030 0.000 1.006 173 A N 1.537 124.383 122.820 0.042 0.000 2.587 173 A HA 0.017 4.337 4.320 -0.000 0.000 0.235 173 A C 0.803 178.437 177.584 0.085 0.000 1.044 173 A CA 0.715 52.785 52.037 0.055 0.000 0.754 173 A CB -0.932 18.088 19.000 0.033 0.000 0.968 173 A HN 0.744 nan 8.150 nan 0.000 0.509 174 D N -0.858 119.597 120.400 0.092 0.000 3.079 174 D HA -0.184 4.456 4.640 -0.000 0.000 0.214 174 D C -0.166 176.193 176.300 0.099 0.000 1.145 174 D CA 1.573 55.619 54.000 0.076 0.000 0.958 174 D CB -1.888 38.929 40.800 0.029 0.000 1.117 174 D HN 0.814 nan 8.370 nan 0.000 0.416 175 W N 3.115 124.403 121.300 -0.019 0.000 2.231 175 W HA 0.164 4.824 4.660 -0.000 0.000 0.341 175 W C -1.438 175.075 176.519 -0.009 0.000 1.298 175 W CA -0.597 56.736 57.345 -0.020 0.000 1.266 175 W CB 0.530 29.981 29.460 -0.016 0.000 1.172 175 W HN -0.114 nan 8.180 nan 0.000 0.568 176 P HA 0.042 nan 4.420 nan 0.000 0.253 176 P C -0.463 176.474 177.300 -0.604 0.000 1.459 176 P CA 0.483 62.654 63.100 -1.548 0.000 0.908 176 P CB 0.266 30.914 31.700 -1.754 0.000 1.470 177 N N 0.758 119.272 118.700 -0.311 0.000 2.538 177 N HA 0.045 4.785 4.740 -0.000 0.000 0.291 177 N C 0.126 175.580 175.510 -0.094 0.000 1.323 177 N CA -0.152 52.793 53.050 -0.175 0.000 0.934 177 N CB -0.253 38.152 38.487 -0.136 0.000 1.255 177 N HN 0.235 nan 8.380 nan 0.000 0.509 178 N N 1.196 119.854 118.700 -0.069 0.000 2.492 178 N HA -0.017 4.723 4.740 -0.000 0.000 0.262 178 N C 0.498 175.970 175.510 -0.062 0.000 1.202 178 N CA 0.379 53.411 53.050 -0.029 0.000 0.926 178 N CB 1.121 39.615 38.487 0.012 0.000 1.078 178 N HN 0.195 nan 8.380 nan 0.000 0.454 179 E N 2.788 122.961 120.200 -0.046 0.000 2.347 179 E HA -0.043 4.306 4.350 -0.000 0.000 0.196 179 E C 1.220 177.777 176.600 -0.072 0.000 1.008 179 E CA 0.713 57.082 56.400 -0.051 0.000 0.852 179 E CB 0.330 30.011 29.700 -0.032 0.000 0.783 179 E HN 0.676 nan 8.360 nan 0.000 0.505 180 I N 0.369 120.883 120.570 -0.094 0.000 2.556 180 I HA -0.038 4.132 4.170 -0.000 0.000 0.251 180 I C 2.151 178.105 176.117 -0.272 0.000 1.105 180 I CA 0.758 61.969 61.300 -0.148 0.000 1.436 180 I CB 0.184 38.110 38.000 -0.123 0.000 1.139 180 I HN 0.092 nan 8.210 nan 0.000 0.438 181 I N -2.457 117.889 120.570 -0.373 0.000 4.147 181 I HA 0.555 4.725 4.170 -0.000 0.000 0.329 181 I C 1.213 177.088 176.117 -0.403 0.000 1.424 181 I CA 0.047 60.895 61.300 -0.754 0.000 1.127 181 I CB 0.247 37.387 38.000 -1.434 0.000 1.128 181 I HN 0.235 nan 8.210 nan 0.000 0.417 182 G N 3.872 112.558 108.800 -0.191 0.000 2.634 182 G HA2 -0.416 3.544 3.960 -0.000 0.000 0.318 182 G HA3 -0.416 3.544 3.960 -0.000 0.000 0.318 182 G C 0.747 175.596 174.900 -0.084 0.000 1.207 182 G CA 0.966 45.999 45.100 -0.110 0.000 0.987 182 G HN 0.781 nan 8.290 nan 0.000 0.547 183 E N 1.902 122.080 120.200 -0.036 0.000 2.465 183 E HA 0.386 4.736 4.350 -0.000 0.000 0.191 183 E C 1.286 178.146 176.600 0.434 0.000 1.053 183 E CA 0.318 56.723 56.400 0.009 0.000 0.869 183 E CB -0.182 29.475 29.700 -0.071 0.000 0.977 183 E HN 0.910 nan 8.360 nan 0.000 0.483 184 G N 1.502 110.486 108.800 0.307 0.000 2.559 184 G HA2 0.302 4.261 3.960 -0.000 0.000 0.235 184 G HA3 0.302 4.261 3.960 -0.000 0.000 0.235 184 G C -0.453 174.663 174.900 0.361 0.000 1.266 184 G CA -0.252 45.107 45.100 0.431 0.000 0.847 184 G HN 0.160 nan 8.290 nan 0.000 0.583 185 L N 0.756 122.173 121.223 0.323 0.000 2.370 185 L HA 0.466 4.806 4.340 -0.000 0.000 0.266 185 L C -0.068 176.886 176.870 0.140 0.000 1.002 185 L CA -0.897 54.003 54.840 0.101 0.000 0.818 185 L CB 2.304 44.347 42.059 -0.027 0.000 1.325 185 L HN 0.348 nan 8.230 nan 0.000 0.418 186 I N 2.114 122.695 120.570 0.019 0.000 2.395 186 I HA 0.180 4.350 4.170 -0.000 0.000 0.289 186 I C -0.101 175.980 176.117 -0.062 0.000 1.023 186 I CA -0.672 60.625 61.300 -0.005 0.000 1.350 186 I CB 1.675 39.599 38.000 -0.127 0.000 1.409 186 I HN 0.204 nan 8.210 nan 0.000 0.507 187 V N 8.348 128.193 119.914 -0.115 0.000 2.508 187 V HA 0.120 4.240 4.120 -0.000 0.000 0.281 187 V C -2.018 174.012 176.094 -0.107 0.000 1.041 187 V CA -1.483 60.699 62.300 -0.197 0.000 1.016 187 V CB 0.172 31.689 31.823 -0.511 0.000 0.984 187 V HN 0.602 nan 8.190 nan 0.000 0.478 188 P HA 0.108 nan 4.420 nan 0.000 0.262 188 P C -2.291 175.024 177.300 0.024 0.000 1.182 188 P CA -0.590 62.499 63.100 -0.018 0.000 0.761 188 P CB -0.211 31.488 31.700 -0.002 0.000 0.795 189 P HA 0.197 nan 4.420 nan 0.000 0.272 189 P C -2.518 174.906 177.300 0.207 0.000 1.230 189 P CA -1.406 61.787 63.100 0.154 0.000 0.788 189 P CB -0.706 31.103 31.700 0.182 0.000 0.949 190 P HA 0.101 nan 4.420 nan 0.000 0.269 190 P C 0.604 178.070 177.300 0.278 0.000 1.215 190 P CA 0.201 63.465 63.100 0.274 0.000 0.780 190 P CB 0.048 31.939 31.700 0.318 0.000 0.898 191 T N -3.908 110.736 114.554 0.150 0.000 3.091 191 T HA 0.235 4.585 4.350 -0.000 0.000 0.277 191 T C 0.336 175.062 174.700 0.043 0.000 0.996 191 T CA -0.094 62.074 62.100 0.114 0.000 0.897 191 T CB -0.546 68.372 68.868 0.082 0.000 1.109 191 T HN 0.555 nan 8.240 nan 0.000 0.534 192 T N -1.696 112.858 114.554 0.001 0.000 2.906 192 T HA 0.524 4.874 4.350 -0.000 0.000 0.295 192 T C 0.528 175.139 174.700 -0.148 0.000 1.075 192 T CA -0.745 61.321 62.100 -0.057 0.000 1.005 192 T CB 2.475 71.325 68.868 -0.029 0.000 1.136 192 T HN -0.037 nan 8.240 nan 0.000 0.498 193 E N 0.398 120.496 120.200 -0.171 0.000 2.077 193 E HA -0.160 4.190 4.350 -0.000 0.000 0.193 193 E C 1.184 177.685 176.600 -0.164 0.000 0.989 193 E CA 1.444 57.705 56.400 -0.231 0.000 0.800 193 E CB -0.015 29.583 29.700 -0.171 0.000 0.746 193 E HN 0.635 nan 8.360 nan 0.000 0.452 194 D N 0.383 120.727 120.400 -0.094 0.000 2.097 194 D HA -0.187 4.452 4.640 -0.000 0.000 0.195 194 D C 1.904 178.181 176.300 -0.039 0.000 0.989 194 D CA 0.963 54.930 54.000 -0.056 0.000 0.827 194 D CB -0.287 40.494 40.800 -0.032 0.000 0.966 194 D HN 0.164 nan 8.370 nan 0.000 0.456 195 Q N 0.228 120.012 119.800 -0.027 0.000 2.096 195 Q HA -0.162 4.178 4.340 -0.000 0.000 0.204 195 Q C 2.005 178.024 176.000 0.031 0.000 0.982 195 Q CA 1.681 57.493 55.803 0.016 0.000 0.850 195 Q CB -0.056 28.705 28.738 0.037 0.000 0.901 195 Q HN 0.211 nan 8.270 nan 0.000 0.422 196 A N 0.953 123.748 122.820 -0.043 0.000 1.902 196 A HA -0.202 4.118 4.320 -0.000 0.000 0.217 196 A C 2.102 179.686 177.584 0.000 0.000 1.181 196 A CA 1.490 53.509 52.037 -0.030 0.000 0.623 196 A CB -0.608 18.095 19.000 -0.496 0.000 0.818 196 A HN 0.397 nan 8.150 nan 0.000 0.443 197 R N -0.506 119.954 120.500 -0.066 0.000 2.073 197 R HA -0.094 4.246 4.340 -0.000 0.000 0.234 197 R C 2.346 178.659 176.300 0.020 0.000 1.134 197 R CA 1.378 57.463 56.100 -0.025 0.000 0.952 197 R CB -0.389 29.883 30.300 -0.047 0.000 0.850 197 R HN 0.451 nan 8.270 nan 0.000 0.433 198 A N 0.896 123.729 122.820 0.021 0.000 1.902 198 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 198 A C 2.167 179.788 177.584 0.061 0.000 1.181 198 A CA 1.555 53.612 52.037 0.033 0.000 0.623 198 A CB -0.541 18.478 19.000 0.030 0.000 0.818 198 A HN 0.381 nan 8.150 nan 0.000 0.443 199 R N -1.271 119.291 120.500 0.103 0.000 2.075 199 R HA -0.097 4.243 4.340 -0.000 0.000 0.232 199 R C 2.019 178.405 176.300 0.143 0.000 1.126 199 R CA 1.726 57.921 56.100 0.159 0.000 0.963 199 R CB -0.242 30.200 30.300 0.237 0.000 0.858 199 R HN 0.398 nan 8.270 nan 0.000 0.435 200 M N 0.454 120.135 119.600 0.135 0.000 2.175 200 M HA -0.107 4.373 4.480 -0.000 0.000 0.264 200 M C 1.711 178.047 176.300 0.060 0.000 1.063 200 M CA 1.607 56.974 55.300 0.111 0.000 1.119 200 M CB -0.677 32.000 32.600 0.128 0.000 1.377 200 M HN 0.210 nan 8.290 nan 0.000 0.415 201 E N 0.241 120.467 120.200 0.044 0.000 2.208 201 E HA -0.109 4.241 4.350 -0.000 0.000 0.193 201 E C 2.061 178.662 176.600 0.003 0.000 0.988 201 E CA 1.360 57.772 56.400 0.019 0.000 0.828 201 E CB -0.020 29.688 29.700 0.014 0.000 0.763 201 E HN 0.561 nan 8.360 nan 0.000 0.478 202 S N -0.059 115.641 115.700 0.001 0.000 2.399 202 S HA -0.081 4.389 4.470 -0.000 0.000 0.231 202 S C 1.905 176.469 174.600 -0.060 0.000 1.022 202 S CA 0.822 59.002 58.200 -0.034 0.000 0.983 202 S CB -0.501 62.670 63.200 -0.048 0.000 0.803 202 S HN 0.364 nan 8.310 nan 0.000 0.480 203 G N 1.824 110.598 108.800 -0.043 0.000 2.233 203 G HA2 -0.395 3.565 3.960 -0.000 0.000 0.270 203 G HA3 -0.395 3.565 3.960 -0.000 0.000 0.270 203 G C 0.681 175.505 174.900 -0.127 0.000 1.011 203 G CA 0.819 45.885 45.100 -0.058 0.000 0.762 203 G HN 0.901 nan 8.290 nan 0.000 0.511 204 Q N -1.622 118.040 119.800 -0.230 0.000 2.331 204 Q HA 0.226 4.566 4.340 -0.000 0.000 0.203 204 Q C 0.690 176.386 176.000 -0.506 0.000 0.944 204 Q CA 0.548 56.099 55.803 -0.419 0.000 0.892 204 Q CB 0.127 28.515 28.738 -0.583 0.000 0.983 204 Q HN 0.617 nan 8.270 nan 0.000 0.482 205 Y N 0.679 120.927 120.300 -0.085 0.000 2.487 205 Y HA 0.468 5.017 4.550 -0.000 0.000 0.337 205 Y C 0.025 175.786 175.900 -0.232 0.000 1.076 205 Y CA -1.591 56.416 58.100 -0.156 0.000 1.115 205 Y CB 1.242 39.644 38.460 -0.097 0.000 1.235 205 Y HN -0.169 nan 8.280 nan 0.000 0.468 206 R N 1.461 121.798 120.500 -0.272 0.000 2.623 206 R HA 0.343 4.683 4.340 -0.000 0.000 0.271 206 R C -0.551 175.596 176.300 -0.256 0.000 1.043 206 R CA 0.183 56.020 56.100 -0.438 0.000 1.083 206 R CB 0.392 30.068 30.300 -1.039 0.000 0.974 206 R HN 0.802 nan 8.270 nan 0.000 0.436 207 S N 1.308 116.968 115.700 -0.068 0.000 2.537 207 S HA 0.294 4.764 4.470 -0.000 0.000 0.271 207 S C -0.004 174.558 174.600 -0.064 0.000 1.148 207 S CA -1.034 57.175 58.200 0.016 0.000 0.868 207 S CB 1.213 64.428 63.200 0.025 0.000 1.115 207 S HN 0.511 nan 8.310 nan 0.000 0.461 208 L N 0.558 121.650 121.223 -0.218 0.000 2.470 208 L HA 0.470 4.810 4.340 -0.000 0.000 0.219 208 L C 0.262 176.929 176.870 -0.339 0.000 1.071 208 L CA 0.556 55.185 54.840 -0.351 0.000 0.850 208 L CB 0.079 41.728 42.059 -0.683 0.000 1.040 208 L HN 0.762 nan 8.230 nan 0.000 0.475 209 D N -2.433 117.719 120.400 -0.413 0.000 2.738 209 D HA 0.032 4.672 4.640 -0.000 0.000 0.308 209 D C -0.048 176.042 176.300 -0.350 0.000 1.311 209 D CA -0.538 53.200 54.000 -0.436 0.000 0.799 209 D CB 0.456 40.767 40.800 -0.815 0.000 1.332 209 D HN 0.018 nan 8.370 nan 0.000 0.441 210 W N 0.979 122.241 121.300 -0.064 0.000 2.421 210 W HA -0.005 4.655 4.660 -0.000 0.000 0.270 210 W C 1.081 177.666 176.519 0.110 0.000 1.233 210 W CA 0.451 57.832 57.345 0.061 0.000 1.226 210 W CB -0.794 28.749 29.460 0.138 0.000 1.121 210 W HN 0.503 nan 8.180 nan 0.000 0.579 211 W N -1.502 119.452 121.300 -0.575 0.000 3.278 211 W HA 0.371 5.031 4.660 -0.000 0.000 0.308 211 W C -0.509 175.915 176.519 -0.157 0.000 1.253 211 W CA -0.926 56.127 57.345 -0.486 0.000 1.759 211 W CB -1.511 27.336 29.460 -1.022 0.000 1.093 211 W HN -0.137 nan 8.180 nan 0.000 0.648 212 F N 2.263 121.829 119.950 -0.640 0.000 2.769 212 F HA 0.446 4.972 4.527 -0.000 0.000 0.358 212 F C -0.893 174.783 175.800 -0.207 0.000 1.285 212 F CA -0.380 57.322 58.000 -0.496 0.000 1.199 212 F CB 0.085 38.488 39.000 -0.994 0.000 1.558 212 F HN -0.322 nan 8.300 nan 0.000 0.583 213 C N 4.086 123.517 119.300 0.218 0.000 2.435 213 C HA 0.660 5.120 4.460 -0.000 0.000 0.333 213 C C -0.829 174.303 174.990 0.235 0.000 1.202 213 C CA -0.484 58.638 59.018 0.173 0.000 1.830 213 C CB 1.149 28.864 27.740 -0.041 0.000 2.326 213 C HN 0.866 nan 8.230 nan 0.000 0.507 214 W N 2.165 123.469 121.300 0.007 0.000 3.074 214 W HA 0.665 5.325 4.660 -0.000 0.000 0.332 214 W C -1.693 174.886 176.519 0.099 0.000 1.253 214 W CA -0.801 56.554 57.345 0.017 0.000 1.180 214 W CB 0.834 30.363 29.460 0.114 0.000 1.445 214 W HN 0.717 nan 8.180 nan 0.000 0.573 215 D N -0.445 120.099 120.400 0.240 0.000 2.812 215 D HA 0.476 5.116 4.640 -0.000 0.000 0.318 215 D C -0.687 175.780 176.300 0.278 0.000 1.234 215 D CA -0.468 53.588 54.000 0.093 0.000 0.989 215 D CB 1.233 42.122 40.800 0.149 0.000 1.442 215 D HN 0.289 nan 8.370 nan 0.000 0.537 216 T N -2.372 112.292 114.554 0.183 0.000 3.401 216 T HA 0.437 4.787 4.350 -0.000 0.000 0.341 216 T C -1.918 172.880 174.700 0.162 0.000 1.674 216 T CA -0.937 61.303 62.100 0.232 0.000 1.600 216 T CB 0.744 69.747 68.868 0.225 0.000 0.974 216 T HN 0.280 nan 8.240 nan 0.000 0.672 217 P HA 0.308 nan 4.420 nan 0.000 0.240 217 P C 0.587 177.952 177.300 0.108 0.000 1.190 217 P CA -0.091 63.075 63.100 0.109 0.000 0.781 217 P CB 0.054 31.810 31.700 0.093 0.000 0.931 218 A N 1.196 124.106 122.820 0.150 0.000 2.425 218 A HA 0.418 4.738 4.320 -0.000 0.000 0.249 218 A C 0.816 178.481 177.584 0.134 0.000 1.084 218 A CA -0.162 51.973 52.037 0.164 0.000 0.781 218 A CB -0.053 19.131 19.000 0.307 0.000 1.019 218 A HN 0.318 nan 8.150 nan 0.000 0.490 219 S N 1.972 117.732 115.700 0.099 0.000 2.584 219 S HA 0.171 4.640 4.470 -0.000 0.000 0.270 219 S C 1.200 175.835 174.600 0.058 0.000 1.346 219 S CA 0.143 58.383 58.200 0.066 0.000 1.018 219 S CB 0.695 63.922 63.200 0.045 0.000 0.899 219 S HN 0.829 nan 8.310 nan 0.000 0.542 220 R N 0.706 121.225 120.500 0.031 0.000 2.103 220 R HA -0.162 4.177 4.340 -0.000 0.000 0.242 220 R C 1.127 177.420 176.300 -0.011 0.000 1.142 220 R CA 2.216 58.320 56.100 0.007 0.000 0.960 220 R CB -0.588 29.711 30.300 -0.002 0.000 0.858 220 R HN 0.783 nan 8.270 nan 0.000 0.439 221 D N 0.432 120.828 120.400 -0.006 0.000 2.117 221 D HA -0.155 4.484 4.640 -0.000 0.000 0.197 221 D C 1.467 177.753 176.300 -0.024 0.000 0.987 221 D CA 1.278 55.265 54.000 -0.023 0.000 0.829 221 D CB -0.372 40.419 40.800 -0.015 0.000 0.961 221 D HN 0.286 nan 8.370 nan 0.000 0.460 222 D N 0.065 120.477 120.400 0.020 0.000 2.117 222 D HA -0.085 4.554 4.640 -0.000 0.000 0.198 222 D C 2.329 178.671 176.300 0.070 0.000 0.982 222 D CA 0.379 54.416 54.000 0.061 0.000 0.828 222 D CB -0.189 40.682 40.800 0.118 0.000 0.967 222 D HN 0.071 nan 8.370 nan 0.000 0.464 223 V N 1.294 121.235 119.914 0.045 0.000 2.295 223 V HA -0.227 3.893 4.120 -0.000 0.000 0.246 223 V C 2.318 178.291 176.094 -0.201 0.000 1.049 223 V CA 1.665 63.899 62.300 -0.111 0.000 1.024 223 V CB -0.480 31.275 31.823 -0.114 0.000 0.648 223 V HN 0.178 nan 8.190 nan 0.000 0.447 224 E N -0.309 119.805 120.200 -0.144 0.000 2.118 224 E HA -0.276 4.074 4.350 -0.000 0.000 0.195 224 E C 2.266 178.729 176.600 -0.228 0.000 0.992 224 E CA 1.430 57.731 56.400 -0.165 0.000 0.804 224 E CB -0.105 29.526 29.700 -0.115 0.000 0.741 224 E HN 0.709 nan 8.360 nan 0.000 0.458 225 E N 0.619 120.678 120.200 -0.236 0.000 2.031 225 E HA -0.226 4.124 4.350 -0.000 0.000 0.193 225 E C 2.087 178.284 176.600 -0.672 0.000 0.994 225 E CA 1.099 57.258 56.400 -0.401 0.000 0.800 225 E CB -0.102 29.431 29.700 -0.279 0.000 0.752 225 E HN 0.214 nan 8.360 nan 0.000 0.447 226 A N 1.322 123.914 122.820 -0.380 0.000 1.908 226 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 226 A C 2.233 179.659 177.584 -0.262 0.000 1.181 226 A CA 1.693 53.588 52.037 -0.236 0.000 0.627 226 A CB -0.609 18.410 19.000 0.031 0.000 0.818 226 A HN 0.230 nan 8.150 nan 0.000 0.445 227 R N -0.932 119.389 120.500 -0.299 0.000 2.120 227 R HA -0.075 4.265 4.340 -0.000 0.000 0.234 227 R C 2.460 178.645 176.300 -0.192 0.000 1.123 227 R CA 1.167 57.128 56.100 -0.233 0.000 0.975 227 R CB -0.227 29.934 30.300 -0.233 0.000 0.866 227 R HN 0.509 nan 8.270 nan 0.000 0.446 228 R N -0.432 119.906 120.500 -0.269 0.000 2.081 228 R HA -0.172 4.168 4.340 -0.000 0.000 0.235 228 R C 1.865 178.085 176.300 -0.133 0.000 1.131 228 R CA 1.766 57.730 56.100 -0.226 0.000 0.960 228 R CB -0.313 29.806 30.300 -0.301 0.000 0.856 228 R HN 0.394 nan 8.270 nan 0.000 0.436 229 Y N 0.467 120.716 120.300 -0.085 0.000 2.128 229 Y HA -0.267 4.283 4.550 -0.000 0.000 0.284 229 Y C 2.404 178.259 175.900 -0.075 0.000 1.154 229 Y CA 0.796 58.842 58.100 -0.090 0.000 1.149 229 Y CB -0.218 38.184 38.460 -0.097 0.000 0.976 229 Y HN 0.054 nan 8.280 nan 0.000 0.505 230 L N -0.342 120.927 121.223 0.077 0.000 2.056 230 L HA -0.193 4.147 4.340 -0.000 0.000 0.207 230 L C 2.544 179.412 176.870 -0.004 0.000 1.078 230 L CA 1.167 56.021 54.840 0.023 0.000 0.749 230 L CB -0.484 41.569 42.059 -0.010 0.000 0.901 230 L HN 0.184 nan 8.230 nan 0.000 0.433 231 R N -0.211 120.274 120.500 -0.025 0.000 2.081 231 R HA -0.185 4.155 4.340 -0.000 0.000 0.235 231 R C 2.397 178.689 176.300 -0.014 0.000 1.131 231 R CA 1.370 57.453 56.100 -0.029 0.000 0.960 231 R CB -0.365 29.907 30.300 -0.048 0.000 0.856 231 R HN 0.294 nan 8.270 nan 0.000 0.436 232 R N 0.818 121.317 120.500 -0.002 0.000 2.081 232 R HA -0.122 4.218 4.340 -0.000 0.000 0.235 232 R C 2.210 178.511 176.300 0.002 0.000 1.131 232 R CA 1.545 57.648 56.100 0.006 0.000 0.960 232 R CB -0.269 30.046 30.300 0.025 0.000 0.856 232 R HN 0.217 nan 8.270 nan 0.000 0.436 233 A N 0.577 123.399 122.820 0.004 0.000 1.940 233 A HA -0.147 4.173 4.320 -0.000 0.000 0.219 233 A C 2.300 179.881 177.584 -0.005 0.000 1.176 233 A CA 1.849 53.882 52.037 -0.007 0.000 0.631 233 A CB -0.750 18.248 19.000 -0.005 0.000 0.814 233 A HN 0.557 nan 8.150 nan 0.000 0.446 234 A N -0.723 122.095 122.820 -0.004 0.000 2.067 234 A HA 0.074 4.394 4.320 -0.000 0.000 0.217 234 A C 1.155 178.737 177.584 -0.004 0.000 1.156 234 A CA 0.770 52.804 52.037 -0.005 0.000 0.683 234 A CB -0.238 18.756 19.000 -0.010 0.000 0.808 234 A HN 0.636 nan 8.150 nan 0.000 0.455 235 E N 0.759 120.957 120.200 -0.004 0.000 2.289 235 E HA 0.255 4.605 4.350 -0.000 0.000 0.278 235 E C -0.309 176.293 176.600 0.004 0.000 1.032 235 E CA -0.550 55.849 56.400 -0.002 0.000 0.854 235 E CB 0.466 30.163 29.700 -0.004 0.000 1.046 235 E HN 0.278 nan 8.360 nan 0.000 0.409 236 K N 5.292 125.696 120.400 0.007 0.000 2.276 236 K HA 0.248 4.568 4.320 -0.000 0.000 0.283 236 K C -2.252 174.357 176.600 0.016 0.000 1.044 236 K CA -1.666 54.629 56.287 0.013 0.000 0.944 236 K CB 0.623 33.133 32.500 0.017 0.000 1.012 236 K HN 0.317 nan 8.250 nan 0.000 0.472 237 P HA -0.010 nan 4.420 nan 0.000 0.265 237 P C -0.373 176.940 177.300 0.022 0.000 1.193 237 P CA -0.037 63.077 63.100 0.022 0.000 0.765 237 P CB 1.172 32.891 31.700 0.032 0.000 0.823 238 A N 3.512 126.341 122.820 0.015 0.000 1.969 238 A HA -0.096 4.224 4.320 -0.000 0.000 0.218 238 A C 0.975 178.564 177.584 0.009 0.000 1.169 238 A CA 1.305 53.349 52.037 0.011 0.000 0.635 238 A CB -0.351 18.652 19.000 0.005 0.000 0.810 238 A HN 0.531 nan 8.150 nan 0.000 0.445 239 K N 0.243 120.648 120.400 0.008 0.000 2.507 239 K HA 0.577 4.897 4.320 -0.000 0.000 0.252 239 K C -1.460 175.145 176.600 0.009 0.000 0.943 239 K CA -0.514 55.770 56.287 -0.004 0.000 0.808 239 K CB 1.011 33.502 32.500 -0.016 0.000 1.142 239 K HN 0.272 nan 8.250 nan 0.000 0.426 240 L N 5.598 126.828 121.223 0.011 0.000 2.350 240 L HA 0.243 4.582 4.340 -0.000 0.000 0.275 240 L C 1.427 178.304 176.870 0.011 0.000 1.099 240 L CA -0.487 54.392 54.840 0.064 0.000 0.808 240 L CB 0.911 43.094 42.059 0.206 0.000 1.149 240 L HN 0.687 nan 8.230 nan 0.000 0.442 241 L N 1.878 123.145 121.223 0.073 0.000 2.201 241 L HA -0.232 4.108 4.340 -0.000 0.000 0.212 241 L C 2.230 179.136 176.870 0.060 0.000 1.105 241 L CA 1.206 56.077 54.840 0.052 0.000 0.775 241 L CB -0.473 41.632 42.059 0.077 0.000 0.913 241 L HN 0.740 nan 8.230 nan 0.000 0.440 242 Y N 0.498 120.824 120.300 0.043 0.000 2.224 242 Y HA -0.049 4.500 4.550 -0.000 0.000 0.289 242 Y C 1.332 177.254 175.900 0.036 0.000 1.146 242 Y CA 0.068 58.198 58.100 0.050 0.000 1.182 242 Y CB -0.685 37.810 38.460 0.059 0.000 0.983 242 Y HN 0.121 nan 8.280 nan 0.000 0.524 243 E N 0.000 119.624 120.200 -0.960 0.000 2.725 243 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 243 E CA 0.000 55.971 56.400 -0.714 0.000 0.976 243 E CB 0.000 29.363 29.700 -0.562 0.000 0.812 243 E HN 0.000 nan 8.360 nan 0.000 0.440