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 1fuq_1_A DATA FIRST_RESID 4 DATA SEQUENCE VRSEKDSMGA IDVPADKLWG AQTQRSLEHF RISTEKMPTS LIHALALTKR DATA SEQUENCE AAAKVNEDLG LLSEEKASAI RQAADEVLAG QHDDEFPLAI WQTGSGTQSN DATA SEQUENCE MNMNEVLANR ASELLGGVRG MERKVHPNDD VNKSQSSNDV FPTAMHVAAL DATA SEQUENCE LALRKQLIPQ LKTLTQTLNE KSRAFADIVK IGRTHLQDAT PLTLGQEISG DATA SEQUENCE WVAMLEHNLK HIEYSLPHVA ELALGGTAVG TGLNTHPEYA RRVADELAVI DATA SEQUENCE TCAPFVTAPN KFEALATCDA LVQAHGALKG LAASLMKIAN DVRWLASGPR DATA SEQUENCE CGIGEISIPE NEPGSSIMPG KVNPTQCEAL TMLCCQVMGN DVAINMGGAS DATA SEQUENCE GNFELNVFRP MVIHNFLQSV RLLADGMESF NKHCAVGIEP NRERINQLLN DATA SEQUENCE ESLMLVTALN THIGYDKAAE IAKKAHKEGL TLKAAALALG YLSEAEFDSW DATA SEQUENCE VRPEQM 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 4 V HA 0.000 nan 4.120 nan 0.000 0.244 4 V C 0.000 176.066 176.094 -0.047 0.000 1.182 4 V CA 0.000 62.272 62.300 -0.046 0.000 1.235 4 V CB 0.000 31.807 31.823 -0.026 0.000 1.184 5 R N 0.265 120.733 120.500 -0.053 0.000 2.837 5 R HA 0.822 5.162 4.340 -0.000 0.000 0.271 5 R C -1.146 175.137 176.300 -0.029 0.000 0.993 5 R CA 0.001 56.073 56.100 -0.047 0.000 0.931 5 R CB 2.244 32.502 30.300 -0.070 0.000 1.206 5 R HN 1.217 nan 8.270 nan 0.000 0.474 6 S N 1.205 116.894 115.700 -0.018 0.000 2.498 6 S HA 0.325 4.795 4.470 -0.000 0.000 0.324 6 S C -1.058 173.543 174.600 0.002 0.000 1.071 6 S CA -0.622 57.576 58.200 -0.004 0.000 1.113 6 S CB 0.781 63.981 63.200 -0.001 0.000 0.976 6 S HN 0.530 nan 8.310 nan 0.000 0.462 7 E N 2.851 123.059 120.200 0.013 0.000 2.249 7 E HA 0.538 4.888 4.350 -0.000 0.000 0.263 7 E C -0.711 175.908 176.600 0.032 0.000 0.950 7 E CA -0.816 55.599 56.400 0.024 0.000 0.827 7 E CB 2.080 31.802 29.700 0.036 0.000 1.220 7 E HN 0.741 nan 8.360 nan 0.000 0.411 8 K N 0.112 120.532 120.400 0.034 0.000 2.536 8 K HA 0.477 4.797 4.320 -0.000 0.000 0.269 8 K C -1.426 175.195 176.600 0.036 0.000 0.965 8 K CA -0.788 55.519 56.287 0.033 0.000 0.860 8 K CB 1.938 34.452 32.500 0.024 0.000 1.423 8 K HN 0.404 nan 8.250 nan 0.000 0.438 9 D N -0.299 120.121 120.400 0.033 0.000 2.837 9 D HA 0.167 4.807 4.640 -0.000 0.000 0.294 9 D C 0.699 177.014 176.300 0.024 0.000 1.158 9 D CA -0.311 53.708 54.000 0.032 0.000 1.073 9 D CB 0.444 41.267 40.800 0.039 0.000 1.419 9 D HN 0.455 nan 8.370 nan 0.000 0.584 10 S N -0.905 114.807 115.700 0.021 0.000 2.419 10 S HA -0.181 4.289 4.470 -0.000 0.000 0.235 10 S C 1.690 176.300 174.600 0.017 0.000 1.019 10 S CA 0.903 59.112 58.200 0.015 0.000 0.982 10 S CB -0.653 62.554 63.200 0.012 0.000 0.789 10 S HN 0.481 nan 8.310 nan 0.000 0.490 11 M N 1.232 120.847 119.600 0.024 0.000 2.558 11 M HA 0.283 4.763 4.480 -0.000 0.000 0.255 11 M C 1.281 177.595 176.300 0.024 0.000 1.113 11 M CA 0.591 55.906 55.300 0.026 0.000 1.097 11 M CB 0.035 32.658 32.600 0.038 0.000 1.426 11 M HN 0.646 nan 8.290 nan 0.000 0.488 12 G N 0.145 108.959 108.800 0.023 0.000 2.293 12 G HA2 0.256 4.216 3.960 -0.000 0.000 0.282 12 G HA3 0.256 4.216 3.960 -0.000 0.000 0.282 12 G C -1.772 173.142 174.900 0.024 0.000 1.299 12 G CA -0.552 44.561 45.100 0.021 0.000 1.018 12 G HN 0.373 nan 8.290 nan 0.000 0.478 13 A N -0.767 122.065 122.820 0.021 0.000 2.281 13 A HA 0.954 5.274 4.320 -0.000 0.000 0.329 13 A C -0.256 177.342 177.584 0.023 0.000 1.122 13 A CA -0.077 51.973 52.037 0.022 0.000 0.850 13 A CB 1.370 20.380 19.000 0.016 0.000 1.207 13 A HN 2.074 nan 8.150 nan 0.000 0.495 14 I N -0.129 120.456 120.570 0.026 0.000 2.842 14 I HA 0.280 4.450 4.170 -0.000 0.000 0.297 14 I C -1.761 174.373 176.117 0.029 0.000 1.380 14 I CA -0.735 60.581 61.300 0.027 0.000 1.018 14 I CB 2.144 40.162 38.000 0.030 0.000 1.311 14 I HN 0.585 nan 8.210 nan 0.000 0.439 15 D N 6.203 126.618 120.400 0.025 0.000 2.312 15 D HA 0.398 5.038 4.640 -0.000 0.000 0.252 15 D C -0.367 175.957 176.300 0.039 0.000 1.150 15 D CA 0.181 54.193 54.000 0.020 0.000 0.870 15 D CB 1.824 42.630 40.800 0.011 0.000 1.153 15 D HN 0.339 nan 8.370 nan 0.000 0.457 16 V N 0.075 119.998 119.914 0.015 0.000 2.628 16 V HA 0.628 4.748 4.120 -0.000 0.000 0.306 16 V C -2.709 173.320 176.094 -0.109 0.000 1.045 16 V CA -2.470 59.831 62.300 0.002 0.000 0.905 16 V CB 2.149 33.953 31.823 -0.031 0.000 0.997 16 V HN 0.262 nan 8.190 nan 0.000 0.436 17 P HA 0.093 nan 4.420 nan 0.000 0.264 17 P C 0.819 177.970 177.300 -0.248 0.000 1.193 17 P CA 0.656 63.647 63.100 -0.181 0.000 0.763 17 P CB 1.270 32.858 31.700 -0.186 0.000 0.810 18 A N 4.508 127.232 122.820 -0.161 0.000 1.986 18 A HA -0.211 4.109 4.320 -0.000 0.000 0.220 18 A C 1.518 178.997 177.584 -0.174 0.000 1.171 18 A CA 1.996 53.945 52.037 -0.147 0.000 0.640 18 A CB -1.037 17.907 19.000 -0.094 0.000 0.811 18 A HN 0.625 nan 8.150 nan 0.000 0.451 19 D N -0.909 119.383 120.400 -0.180 0.000 2.336 19 D HA 0.022 4.662 4.640 -0.000 0.000 0.229 19 D C 0.037 176.184 176.300 -0.254 0.000 1.061 19 D CA 0.356 54.254 54.000 -0.170 0.000 0.875 19 D CB 0.032 40.762 40.800 -0.116 0.000 0.904 19 D HN 0.101 nan 8.370 nan 0.000 0.525 20 K N 0.451 120.597 120.400 -0.424 0.000 2.203 20 K HA 0.372 4.692 4.320 -0.000 0.000 0.251 20 K C 0.854 177.132 176.600 -0.537 0.000 0.944 20 K CA -0.758 55.134 56.287 -0.659 0.000 0.829 20 K CB 2.350 33.961 32.500 -1.482 0.000 1.125 20 K HN -0.023 nan 8.250 nan 0.000 0.430 21 L N 0.554 121.543 121.223 -0.390 0.000 2.592 21 L HA 0.125 4.465 4.340 -0.000 0.000 0.227 21 L C 0.436 177.228 176.870 -0.131 0.000 1.127 21 L CA -0.205 54.495 54.840 -0.233 0.000 0.884 21 L CB -0.095 41.847 42.059 -0.195 0.000 1.065 21 L HN 0.555 nan 8.230 nan 0.000 0.457 22 W N -0.088 121.130 121.300 -0.137 0.000 2.129 22 W HA 0.613 5.273 4.660 -0.000 0.000 0.349 22 W C 0.619 177.098 176.519 -0.068 0.000 1.279 22 W CA -0.931 56.344 57.345 -0.118 0.000 1.306 22 W CB -0.164 29.217 29.460 -0.132 0.000 1.140 22 W HN -0.152 nan 8.180 nan 0.000 0.613 23 G N -0.181 108.805 108.800 0.310 0.000 2.736 23 G HA2 0.451 4.411 3.960 -0.000 0.000 0.229 23 G HA3 0.451 4.411 3.960 -0.000 0.000 0.229 23 G C 0.639 175.675 174.900 0.227 0.000 1.380 23 G CA -0.466 44.752 45.100 0.197 0.000 1.040 23 G HN 0.941 nan 8.290 nan 0.000 0.568 24 A N -1.115 121.782 122.820 0.129 0.000 1.898 24 A HA -0.046 4.274 4.320 -0.000 0.000 0.216 24 A C 2.264 179.896 177.584 0.079 0.000 1.181 24 A CA 2.010 54.106 52.037 0.100 0.000 0.620 24 A CB -0.676 18.364 19.000 0.067 0.000 0.819 24 A HN 0.631 nan 8.150 nan 0.000 0.442 25 Q N -0.843 118.998 119.800 0.069 0.000 2.084 25 Q HA -0.142 4.198 4.340 -0.000 0.000 0.202 25 Q C 2.175 178.185 176.000 0.016 0.000 0.978 25 Q CA 1.957 57.790 55.803 0.049 0.000 0.844 25 Q CB -0.463 28.303 28.738 0.047 0.000 0.898 25 Q HN 0.677 nan 8.270 nan 0.000 0.426 26 T N 0.721 115.268 114.554 -0.013 0.000 2.777 26 T HA -0.193 4.157 4.350 -0.000 0.000 0.266 26 T C 1.758 176.317 174.700 -0.236 0.000 1.040 26 T CA 1.449 63.448 62.100 -0.168 0.000 1.141 26 T CB -0.175 68.513 68.868 -0.299 0.000 0.868 26 T HN 0.168 nan 8.240 nan 0.000 0.444 27 Q N 1.234 120.985 119.800 -0.082 0.000 2.084 27 Q HA -0.000 4.340 4.340 -0.000 0.000 0.202 27 Q C 2.334 178.286 176.000 -0.080 0.000 0.978 27 Q CA 1.556 57.353 55.803 -0.009 0.000 0.844 27 Q CB -0.201 28.640 28.738 0.171 0.000 0.898 27 Q HN 0.390 nan 8.270 nan 0.000 0.426 28 R N -0.814 119.645 120.500 -0.069 0.000 2.081 28 R HA -0.068 4.272 4.340 -0.000 0.000 0.235 28 R C 2.388 178.549 176.300 -0.232 0.000 1.131 28 R CA 1.528 57.527 56.100 -0.168 0.000 0.960 28 R CB -0.189 30.106 30.300 -0.008 0.000 0.856 28 R HN 0.230 nan 8.270 nan 0.000 0.436 29 S N 1.106 116.797 115.700 -0.016 0.000 2.383 29 S HA -0.124 4.346 4.470 -0.000 0.000 0.227 29 S C 1.747 176.392 174.600 0.076 0.000 1.026 29 S CA 0.728 59.025 58.200 0.162 0.000 0.981 29 S CB -0.211 63.072 63.200 0.138 0.000 0.818 29 S HN 0.136 nan 8.310 nan 0.000 0.472 30 L N 2.042 123.217 121.223 -0.080 0.000 2.127 30 L HA -0.096 4.244 4.340 -0.000 0.000 0.211 30 L C 1.997 178.819 176.870 -0.081 0.000 1.089 30 L CA 1.732 56.512 54.840 -0.101 0.000 0.757 30 L CB -0.599 41.352 42.059 -0.180 0.000 0.899 30 L HN 0.318 nan 8.230 nan 0.000 0.434 31 E N -2.357 117.739 120.200 -0.173 0.000 2.250 31 E HA -0.092 4.258 4.350 -0.000 0.000 0.192 31 E C 1.745 178.219 176.600 -0.211 0.000 0.986 31 E CA 0.753 57.027 56.400 -0.210 0.000 0.849 31 E CB -0.061 29.462 29.700 -0.295 0.000 0.797 31 E HN 0.684 nan 8.360 nan 0.000 0.482 32 H N -1.112 117.869 119.070 -0.147 0.000 2.497 32 H HA 0.094 4.650 4.556 -0.000 0.000 0.282 32 H C 0.069 175.030 175.328 -0.612 0.000 1.003 32 H CA 0.198 56.006 56.048 -0.400 0.000 1.307 32 H CB 0.396 29.823 29.762 -0.560 0.000 1.437 32 H HN -0.001 nan 8.280 nan 0.000 0.544 33 F N 1.060 121.059 119.950 0.082 0.000 2.471 33 F HA 0.327 4.854 4.527 -0.000 0.000 0.318 33 F C 0.068 175.895 175.800 0.045 0.000 1.308 33 F CA -0.579 57.456 58.000 0.060 0.000 1.162 33 F CB 0.495 39.520 39.000 0.042 0.000 1.383 33 F HN -0.146 nan 8.300 nan 0.000 0.552 34 R N 1.882 122.459 120.500 0.128 0.000 4.390 34 R HA 0.399 4.739 4.340 -0.000 0.000 0.229 34 R C -0.567 175.798 176.300 0.108 0.000 1.674 34 R CA -0.054 56.103 56.100 0.096 0.000 1.526 34 R CB -0.002 30.323 30.300 0.042 0.000 1.418 34 R HN 0.407 nan 8.270 nan 0.000 0.790 35 I N 0.525 121.202 120.570 0.177 0.000 2.330 35 I HA 0.126 4.296 4.170 -0.000 0.000 0.289 35 I C 0.779 177.017 176.117 0.202 0.000 1.001 35 I CA -0.209 61.187 61.300 0.159 0.000 1.193 35 I CB 1.541 39.659 38.000 0.197 0.000 1.345 35 I HN 0.412 nan 8.210 nan 0.000 0.461 36 S N 4.164 119.917 115.700 0.088 0.000 3.245 36 S HA -0.265 4.205 4.470 -0.000 0.000 0.631 36 S C 1.058 175.743 174.600 0.142 0.000 2.821 36 S CA 1.556 59.814 58.200 0.096 0.000 3.266 36 S CB -0.731 62.511 63.200 0.070 0.000 0.314 36 S HN 0.958 nan 8.310 nan 0.000 1.621 37 T N -1.329 113.319 114.554 0.157 0.000 3.040 37 T HA 0.458 4.808 4.350 -0.000 0.000 0.266 37 T C -0.060 174.713 174.700 0.123 0.000 1.005 37 T CA 0.393 62.566 62.100 0.123 0.000 0.906 37 T CB 0.094 69.018 68.868 0.093 0.000 1.082 37 T HN 0.501 nan 8.240 nan 0.000 0.531 38 E N 2.393 122.696 120.200 0.171 0.000 2.290 38 E HA 0.456 4.806 4.350 -0.000 0.000 0.277 38 E C 0.041 176.603 176.600 -0.064 0.000 1.035 38 E CA -0.098 56.338 56.400 0.060 0.000 0.873 38 E CB 0.640 30.334 29.700 -0.010 0.000 1.029 38 E HN 0.188 nan 8.360 nan 0.000 0.419 39 K N 1.857 122.232 120.400 -0.042 0.000 2.313 39 K HA 0.457 4.777 4.320 -0.000 0.000 0.235 39 K C 0.071 176.638 176.600 -0.055 0.000 1.035 39 K CA -1.048 55.205 56.287 -0.056 0.000 0.868 39 K CB 0.775 33.279 32.500 0.008 0.000 1.232 39 K HN 0.413 nan 8.250 nan 0.000 0.459 40 M N 3.219 122.793 119.600 -0.043 0.000 2.252 40 M HA 0.113 4.593 4.480 -0.000 0.000 0.348 40 M C -1.835 174.454 176.300 -0.019 0.000 1.334 40 M CA -1.391 53.893 55.300 -0.027 0.000 1.071 40 M CB -0.602 31.988 32.600 -0.016 0.000 1.763 40 M HN 0.243 nan 8.290 nan 0.000 0.452 41 P HA 0.165 nan 4.420 nan 0.000 0.274 41 P C 0.360 177.597 177.300 -0.106 0.000 1.231 41 P CA -0.151 62.928 63.100 -0.035 0.000 0.790 41 P CB 0.392 32.081 31.700 -0.017 0.000 0.951 42 T N 0.813 115.283 114.554 -0.140 0.000 2.699 42 T HA -0.174 4.176 4.350 -0.000 0.000 0.268 42 T C 1.914 176.349 174.700 -0.441 0.000 1.036 42 T CA 2.436 64.362 62.100 -0.289 0.000 1.147 42 T CB -0.821 67.877 68.868 -0.284 0.000 0.862 42 T HN 0.665 nan 8.240 nan 0.000 0.446 43 S N 1.663 117.198 115.700 -0.275 0.000 2.383 43 S HA -0.073 4.397 4.470 -0.000 0.000 0.229 43 S C 1.978 176.498 174.600 -0.133 0.000 1.030 43 S CA 0.876 58.960 58.200 -0.194 0.000 1.002 43 S CB -0.675 62.476 63.200 -0.082 0.000 0.829 43 S HN 0.302 nan 8.310 nan 0.000 0.467 44 L N 1.313 122.457 121.223 -0.131 0.000 2.109 44 L HA 0.145 4.485 4.340 -0.000 0.000 0.207 44 L C 2.147 178.927 176.870 -0.149 0.000 1.086 44 L CA 1.278 56.039 54.840 -0.131 0.000 0.760 44 L CB -0.664 41.326 42.059 -0.115 0.000 0.910 44 L HN 0.216 nan 8.230 nan 0.000 0.437 45 I N -0.581 119.872 120.570 -0.194 0.000 2.226 45 I HA -0.312 3.858 4.170 -0.000 0.000 0.245 45 I C 2.512 178.573 176.117 -0.094 0.000 1.100 45 I CA 1.586 62.722 61.300 -0.273 0.000 1.374 45 I CB -1.553 36.199 38.000 -0.415 0.000 1.057 45 I HN 0.457 nan 8.210 nan 0.000 0.413 46 H N 0.460 119.440 119.070 -0.150 0.000 2.357 46 H HA -0.043 4.513 4.556 -0.000 0.000 0.301 46 H C 2.260 177.536 175.328 -0.086 0.000 1.082 46 H CA 0.958 56.950 56.048 -0.093 0.000 1.342 46 H CB 0.220 29.952 29.762 -0.050 0.000 1.389 46 H HN 0.335 nan 8.280 nan 0.000 0.511 47 A N 1.103 123.942 122.820 0.031 0.000 1.972 47 A HA -0.147 4.173 4.320 -0.000 0.000 0.219 47 A C 2.254 179.789 177.584 -0.082 0.000 1.169 47 A CA 1.064 53.076 52.037 -0.042 0.000 0.635 47 A CB -0.463 18.491 19.000 -0.078 0.000 0.810 47 A HN 0.251 nan 8.150 nan 0.000 0.446 48 L N -0.398 120.773 121.223 -0.087 0.000 2.044 48 L HA 0.027 4.367 4.340 -0.000 0.000 0.205 48 L C 2.729 179.576 176.870 -0.038 0.000 1.075 48 L CA 1.999 56.794 54.840 -0.075 0.000 0.747 48 L CB -0.995 41.020 42.059 -0.072 0.000 0.903 48 L HN 0.341 nan 8.230 nan 0.000 0.435 49 A N -0.684 122.118 122.820 -0.030 0.000 1.902 49 A HA -0.184 4.136 4.320 -0.000 0.000 0.217 49 A C 2.286 179.860 177.584 -0.016 0.000 1.181 49 A CA 1.932 53.966 52.037 -0.004 0.000 0.623 49 A CB -0.858 18.142 19.000 0.000 0.000 0.818 49 A HN 0.475 nan 8.150 nan 0.000 0.443 50 L N -0.742 120.461 121.223 -0.033 0.000 2.083 50 L HA -0.157 4.183 4.340 -0.000 0.000 0.209 50 L C 2.756 179.588 176.870 -0.062 0.000 1.083 50 L CA 1.698 56.511 54.840 -0.045 0.000 0.752 50 L CB -0.727 41.302 42.059 -0.050 0.000 0.899 50 L HN 0.360 nan 8.230 nan 0.000 0.433 51 T N -0.848 113.662 114.554 -0.075 0.000 2.777 51 T HA -0.130 4.220 4.350 -0.000 0.000 0.266 51 T C 1.932 176.612 174.700 -0.034 0.000 1.040 51 T CA 0.906 62.958 62.100 -0.081 0.000 1.141 51 T CB -0.015 68.799 68.868 -0.090 0.000 0.868 51 T HN 0.147 nan 8.240 nan 0.000 0.444 52 K N 1.151 121.545 120.400 -0.010 0.000 2.097 52 K HA 0.042 4.362 4.320 -0.000 0.000 0.205 52 K C 2.354 178.961 176.600 0.013 0.000 1.050 52 K CA 0.878 57.175 56.287 0.016 0.000 0.938 52 K CB -0.348 32.171 32.500 0.031 0.000 0.718 52 K HN 0.293 nan 8.250 nan 0.000 0.442 53 R N 0.781 121.281 120.500 -0.001 0.000 2.073 53 R HA -0.092 4.248 4.340 -0.000 0.000 0.234 53 R C 2.157 178.451 176.300 -0.009 0.000 1.134 53 R CA 1.480 57.578 56.100 -0.002 0.000 0.952 53 R CB -0.178 30.117 30.300 -0.009 0.000 0.850 53 R HN 0.150 nan 8.270 nan 0.000 0.433 54 A N 0.674 123.477 122.820 -0.028 0.000 1.898 54 A HA -0.068 4.252 4.320 -0.000 0.000 0.216 54 A C 2.342 179.905 177.584 -0.036 0.000 1.181 54 A CA 1.577 53.587 52.037 -0.045 0.000 0.620 54 A CB -0.700 18.252 19.000 -0.080 0.000 0.819 54 A HN 0.541 nan 8.150 nan 0.000 0.442 55 A N -0.105 122.712 122.820 -0.006 0.000 1.933 55 A HA 0.154 4.474 4.320 -0.000 0.000 0.218 55 A C 2.479 180.116 177.584 0.089 0.000 1.175 55 A CA 2.047 54.126 52.037 0.069 0.000 0.628 55 A CB -0.939 18.136 19.000 0.125 0.000 0.814 55 A HN 1.022 nan 8.150 nan 0.000 0.444 56 A N -0.244 122.606 122.820 0.050 0.000 1.902 56 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 56 A C 2.081 179.684 177.584 0.032 0.000 1.181 56 A CA 2.289 54.351 52.037 0.042 0.000 0.623 56 A CB -0.413 18.604 19.000 0.027 0.000 0.818 56 A HN 0.434 nan 8.150 nan 0.000 0.443 57 K N -0.235 120.174 120.400 0.016 0.000 2.026 57 K HA -0.074 4.246 4.320 -0.000 0.000 0.208 57 K C 1.715 178.319 176.600 0.007 0.000 1.048 57 K CA 1.821 58.111 56.287 0.005 0.000 0.929 57 K CB -0.566 31.929 32.500 -0.008 0.000 0.713 57 K HN 0.209 nan 8.250 nan 0.000 0.439 58 V N 1.511 121.430 119.914 0.008 0.000 2.358 58 V HA -0.219 3.901 4.120 -0.000 0.000 0.246 58 V C 1.953 178.088 176.094 0.068 0.000 1.047 58 V CA 1.864 64.172 62.300 0.014 0.000 1.035 58 V CB -0.658 31.134 31.823 -0.052 0.000 0.658 58 V HN 0.371 nan 8.190 nan 0.000 0.452 59 N N 0.110 118.878 118.700 0.113 0.000 2.104 59 N HA -0.204 4.536 4.740 -0.000 0.000 0.190 59 N C 1.925 177.455 175.510 0.033 0.000 1.024 59 N CA 1.666 54.772 53.050 0.093 0.000 0.853 59 N CB -0.250 38.289 38.487 0.087 0.000 1.008 59 N HN 0.651 nan 8.380 nan 0.000 0.424 60 E N 0.698 120.913 120.200 0.025 0.000 2.051 60 E HA -0.180 4.170 4.350 -0.000 0.000 0.192 60 E C 0.735 177.333 176.600 -0.004 0.000 0.991 60 E CA 1.215 57.620 56.400 0.009 0.000 0.799 60 E CB 0.066 29.771 29.700 0.008 0.000 0.748 60 E HN 0.204 nan 8.360 nan 0.000 0.449 61 D N 0.474 120.870 120.400 -0.007 0.000 2.149 61 D HA -0.144 4.496 4.640 -0.000 0.000 0.198 61 D C 1.887 178.160 176.300 -0.046 0.000 0.990 61 D CA 0.837 54.825 54.000 -0.020 0.000 0.839 61 D CB -0.131 40.658 40.800 -0.018 0.000 0.948 61 D HN 0.268 nan 8.370 nan 0.000 0.460 62 L N -0.707 120.479 121.223 -0.063 0.000 2.552 62 L HA 0.139 4.479 4.340 -0.000 0.000 0.227 62 L C 1.365 178.174 176.870 -0.102 0.000 1.146 62 L CA 0.432 55.186 54.840 -0.143 0.000 0.858 62 L CB -0.220 41.720 42.059 -0.199 0.000 0.969 62 L HN 0.140 nan 8.230 nan 0.000 0.451 63 G N 0.185 108.955 108.800 -0.050 0.000 2.137 63 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.237 63 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.237 63 G C 0.617 175.504 174.900 -0.021 0.000 1.002 63 G CA 0.244 45.326 45.100 -0.031 0.000 0.702 63 G HN 0.351 nan 8.290 nan 0.000 0.515 64 L N -1.662 119.551 121.223 -0.018 0.000 2.554 64 L HA 0.535 4.875 4.340 -0.000 0.000 0.225 64 L C 0.800 177.672 176.870 0.002 0.000 1.104 64 L CA 0.169 55.004 54.840 -0.008 0.000 0.866 64 L CB 0.292 42.344 42.059 -0.010 0.000 1.047 64 L HN 0.263 nan 8.230 nan 0.000 0.468 65 L N -0.484 120.743 121.223 0.006 0.000 2.422 65 L HA 0.399 4.739 4.340 -0.000 0.000 0.264 65 L C 0.083 176.958 176.870 0.009 0.000 0.984 65 L CA -0.449 54.398 54.840 0.012 0.000 0.819 65 L CB 2.149 44.220 42.059 0.020 0.000 1.330 65 L HN 0.004 nan 8.230 nan 0.000 0.410 66 S N 1.729 117.435 115.700 0.010 0.000 2.576 66 S HA 0.162 4.632 4.470 -0.000 0.000 0.276 66 S C 0.934 175.537 174.600 0.006 0.000 1.339 66 S CA 0.172 58.376 58.200 0.007 0.000 1.039 66 S CB 0.898 64.103 63.200 0.008 0.000 0.902 66 S HN 0.824 nan 8.310 nan 0.000 0.516 67 E N 1.734 121.936 120.200 0.004 0.000 2.097 67 E HA -0.311 4.039 4.350 -0.000 0.000 0.196 67 E C 1.879 178.480 176.600 0.003 0.000 1.000 67 E CA 1.869 58.270 56.400 0.003 0.000 0.804 67 E CB -0.283 29.418 29.700 0.002 0.000 0.740 67 E HN 0.970 nan 8.360 nan 0.000 0.454 68 E N 0.599 120.800 120.200 0.002 0.000 2.085 68 E HA -0.245 4.105 4.350 -0.000 0.000 0.194 68 E C 2.013 178.612 176.600 -0.001 0.000 0.994 68 E CA 1.384 57.784 56.400 -0.000 0.000 0.801 68 E CB -0.178 29.522 29.700 -0.001 0.000 0.743 68 E HN 0.179 nan 8.360 nan 0.000 0.453 69 K N 0.635 121.035 120.400 0.000 0.000 2.044 69 K HA 0.052 4.372 4.320 -0.000 0.000 0.204 69 K C 2.428 179.030 176.600 0.004 0.000 1.049 69 K CA 0.850 57.136 56.287 -0.001 0.000 0.945 69 K CB -0.188 32.313 32.500 0.002 0.000 0.724 69 K HN 0.196 nan 8.250 nan 0.000 0.440 70 A N 1.997 124.821 122.820 0.008 0.000 1.865 70 A HA -0.230 4.090 4.320 -0.000 0.000 0.217 70 A C 2.292 179.881 177.584 0.008 0.000 1.191 70 A CA 2.519 54.562 52.037 0.011 0.000 0.623 70 A CB -0.914 18.093 19.000 0.012 0.000 0.826 70 A HN 0.418 nan 8.150 nan 0.000 0.444 71 S N 0.105 115.809 115.700 0.006 0.000 2.382 71 S HA 0.032 4.502 4.470 -0.000 0.000 0.228 71 S C 2.051 176.654 174.600 0.006 0.000 1.027 71 S CA 1.402 59.605 58.200 0.005 0.000 0.991 71 S CB -0.673 62.529 63.200 0.003 0.000 0.823 71 S HN 0.946 nan 8.310 nan 0.000 0.469 72 A N 1.787 124.609 122.820 0.003 0.000 1.930 72 A HA 0.194 4.514 4.320 -0.000 0.000 0.217 72 A C 2.201 179.789 177.584 0.006 0.000 1.175 72 A CA 1.179 53.217 52.037 0.002 0.000 0.627 72 A CB -0.720 18.277 19.000 -0.006 0.000 0.815 72 A HN 0.569 nan 8.150 nan 0.000 0.443 73 I N -0.794 119.780 120.570 0.007 0.000 2.252 73 I HA -0.240 3.930 4.170 -0.000 0.000 0.245 73 I C 2.709 178.836 176.117 0.017 0.000 1.102 73 I CA 1.110 62.417 61.300 0.012 0.000 1.385 73 I CB -0.300 37.709 38.000 0.015 0.000 1.064 73 I HN 0.277 nan 8.210 nan 0.000 0.414 74 R N 0.256 120.765 120.500 0.014 0.000 2.092 74 R HA -0.209 4.131 4.340 -0.000 0.000 0.231 74 R C 2.258 178.568 176.300 0.017 0.000 1.119 74 R CA 1.308 57.415 56.100 0.013 0.000 0.970 74 R CB -0.377 29.927 30.300 0.008 0.000 0.864 74 R HN 0.466 nan 8.270 nan 0.000 0.440 75 Q N 0.507 120.318 119.800 0.018 0.000 2.119 75 Q HA -0.105 4.235 4.340 -0.000 0.000 0.201 75 Q C 2.016 178.042 176.000 0.043 0.000 0.972 75 Q CA 1.502 57.320 55.803 0.024 0.000 0.847 75 Q CB -0.012 28.738 28.738 0.020 0.000 0.903 75 Q HN 0.356 nan 8.270 nan 0.000 0.433 76 A N 0.606 123.452 122.820 0.043 0.000 1.930 76 A HA -0.078 4.242 4.320 -0.000 0.000 0.217 76 A C 2.257 179.892 177.584 0.085 0.000 1.175 76 A CA 1.496 53.570 52.037 0.062 0.000 0.627 76 A CB -0.913 18.100 19.000 0.021 0.000 0.815 76 A HN 0.538 nan 8.150 nan 0.000 0.443 77 A N 0.265 123.119 122.820 0.056 0.000 1.877 77 A HA -0.203 4.117 4.320 -0.000 0.000 0.216 77 A C 1.742 179.349 177.584 0.039 0.000 1.186 77 A CA 1.861 53.929 52.037 0.052 0.000 0.620 77 A CB -0.623 18.393 19.000 0.026 0.000 0.822 77 A HN 0.462 nan 8.150 nan 0.000 0.443 78 D N -0.163 120.252 120.400 0.026 0.000 2.178 78 D HA -0.132 4.508 4.640 -0.000 0.000 0.201 78 D C 1.830 178.138 176.300 0.012 0.000 0.980 78 D CA 1.311 55.312 54.000 0.002 0.000 0.842 78 D CB -0.365 40.437 40.800 0.002 0.000 0.948 78 D HN 0.668 nan 8.370 nan 0.000 0.472 79 E N 0.243 120.488 120.200 0.074 0.000 2.150 79 E HA -0.086 4.264 4.350 -0.000 0.000 0.193 79 E C 2.266 178.929 176.600 0.105 0.000 0.985 79 E CA 0.389 56.842 56.400 0.089 0.000 0.814 79 E CB 0.220 30.056 29.700 0.227 0.000 0.752 79 E HN 0.114 nan 8.360 nan 0.000 0.466 80 V N 1.566 121.610 119.914 0.218 0.000 2.358 80 V HA -0.232 3.888 4.120 -0.000 0.000 0.246 80 V C 2.287 178.356 176.094 -0.043 0.000 1.047 80 V CA 1.374 63.812 62.300 0.230 0.000 1.035 80 V CB -0.400 31.568 31.823 0.241 0.000 0.658 80 V HN 0.253 nan 8.190 nan 0.000 0.452 81 L N 0.391 121.497 121.223 -0.194 0.000 2.191 81 L HA -0.115 4.225 4.340 -0.000 0.000 0.212 81 L C 2.394 179.072 176.870 -0.319 0.000 1.103 81 L CA 1.415 55.957 54.840 -0.497 0.000 0.769 81 L CB -0.662 41.222 42.059 -0.290 0.000 0.908 81 L HN 0.352 nan 8.230 nan 0.000 0.438 82 A N -0.276 122.466 122.820 -0.130 0.000 2.238 82 A HA 0.297 4.617 4.320 -0.000 0.000 0.208 82 A C 1.725 179.292 177.584 -0.028 0.000 1.177 82 A CA 0.652 52.650 52.037 -0.065 0.000 0.804 82 A CB -0.568 18.402 19.000 -0.048 0.000 0.823 82 A HN 0.514 nan 8.150 nan 0.000 0.482 83 G N -0.841 107.962 108.800 0.006 0.000 2.147 83 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.244 83 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.244 83 G C 0.584 175.486 174.900 0.003 0.000 1.005 83 G CA 0.602 45.745 45.100 0.072 0.000 0.713 83 G HN 0.602 nan 8.290 nan 0.000 0.515 84 Q N -1.240 118.494 119.800 -0.111 0.000 2.424 84 Q HA 0.110 4.450 4.340 -0.000 0.000 0.204 84 Q C 0.893 176.628 176.000 -0.441 0.000 0.933 84 Q CA 0.962 56.572 55.803 -0.322 0.000 0.929 84 Q CB 0.270 28.703 28.738 -0.507 0.000 1.037 84 Q HN 0.856 nan 8.270 nan 0.000 0.511 85 H N -0.583 118.581 119.070 0.157 0.000 2.651 85 H HA 0.120 4.676 4.556 -0.000 0.000 0.241 85 H C -0.045 175.467 175.328 0.307 0.000 1.225 85 H CA -0.395 55.769 56.048 0.193 0.000 0.942 85 H CB 0.646 30.535 29.762 0.212 0.000 1.996 85 H HN 0.082 nan 8.280 nan 0.000 0.600 86 D N 0.809 121.400 120.400 0.318 0.000 2.178 86 D HA -0.168 4.472 4.640 -0.000 0.000 0.201 86 D C 1.695 178.188 176.300 0.322 0.000 0.980 86 D CA 1.320 55.518 54.000 0.330 0.000 0.842 86 D CB 0.029 40.949 40.800 0.199 0.000 0.948 86 D HN 0.684 nan 8.370 nan 0.000 0.472 87 D N 0.199 120.739 120.400 0.233 0.000 2.349 87 D HA -0.089 4.551 4.640 -0.000 0.000 0.224 87 D C 0.745 177.178 176.300 0.223 0.000 1.029 87 D CA 0.296 54.417 54.000 0.202 0.000 0.879 87 D CB 0.086 40.976 40.800 0.149 0.000 0.906 87 D HN 0.095 nan 8.370 nan 0.000 0.528 88 E N 0.100 120.366 120.200 0.109 0.000 2.489 88 E HA 0.068 4.418 4.350 -0.000 0.000 0.193 88 E C -0.370 175.904 176.600 -0.543 0.000 1.057 88 E CA -0.009 56.319 56.400 -0.119 0.000 0.866 88 E CB -0.031 29.434 29.700 -0.391 0.000 0.916 88 E HN 0.390 nan 8.360 nan 0.000 0.500 89 F N 1.503 121.551 119.950 0.162 0.000 2.550 89 F HA 0.265 4.792 4.527 -0.000 0.000 0.348 89 F C -1.528 174.241 175.800 -0.052 0.000 1.219 89 F CA -1.823 56.191 58.000 0.024 0.000 1.203 89 F CB 1.486 40.514 39.000 0.046 0.000 1.436 89 F HN -0.144 nan 8.300 nan 0.000 0.541 90 P HA 0.064 nan 4.420 nan 0.000 0.255 90 P C 0.124 177.349 177.300 -0.124 0.000 1.248 90 P CA 0.448 63.467 63.100 -0.135 0.000 0.807 90 P CB 0.633 32.145 31.700 -0.313 0.000 1.150 91 L N 0.636 121.785 121.223 -0.122 0.000 2.453 91 L HA 0.259 4.599 4.340 -0.000 0.000 0.272 91 L C 1.093 177.911 176.870 -0.085 0.000 1.182 91 L CA -0.669 54.107 54.840 -0.105 0.000 0.858 91 L CB 0.204 42.194 42.059 -0.116 0.000 1.120 91 L HN -0.026 nan 8.230 nan 0.000 0.474 92 A N 3.596 126.370 122.820 -0.077 0.000 2.366 92 A HA 0.228 4.548 4.320 -0.000 0.000 0.249 92 A C 1.232 178.642 177.584 -0.289 0.000 1.084 92 A CA -0.474 51.498 52.037 -0.108 0.000 0.794 92 A CB 0.393 19.420 19.000 0.045 0.000 1.034 92 A HN 0.712 nan 8.150 nan 0.000 0.491 93 I N -0.738 119.496 120.570 -0.560 0.000 2.315 93 I HA -0.172 3.998 4.170 -0.000 0.000 0.248 93 I C 0.691 176.303 176.117 -0.843 0.000 1.117 93 I CA 0.901 61.703 61.300 -0.830 0.000 1.404 93 I CB -0.877 36.302 38.000 -1.368 0.000 1.071 93 I HN 0.759 nan 8.210 nan 0.000 0.419 94 W N 3.974 125.190 121.300 -0.140 0.000 1.564 94 W HA 0.249 4.909 4.660 -0.000 0.000 0.480 94 W C 1.067 177.445 176.519 -0.234 0.000 0.699 94 W CA -0.636 56.630 57.345 -0.131 0.000 1.985 94 W CB -0.805 28.628 29.460 -0.046 0.000 1.738 94 W HN 0.263 nan 8.180 nan 0.000 0.218 95 Q N -0.880 118.683 119.800 -0.396 0.000 3.375 95 Q HA 0.532 4.872 4.340 -0.000 0.000 0.295 95 Q C -0.086 175.458 176.000 -0.760 0.000 0.996 95 Q CA -1.079 54.109 55.803 -1.025 0.000 0.801 95 Q CB 0.263 28.491 28.738 -0.851 0.000 2.066 95 Q HN -0.112 nan 8.270 nan 0.000 0.424 96 T N 0.785 114.889 114.554 -0.751 0.000 2.928 96 T HA 0.123 4.473 4.350 -0.000 0.000 0.305 96 T C 1.166 175.651 174.700 -0.359 0.000 1.035 96 T CA 0.362 62.223 62.100 -0.398 0.000 1.145 96 T CB 0.653 69.345 68.868 -0.294 0.000 0.963 96 T HN 0.722 nan 8.240 nan 0.000 0.545 97 G N 1.504 110.137 108.800 -0.278 0.000 2.535 97 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.218 97 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.218 97 G C 1.508 176.268 174.900 -0.234 0.000 1.122 97 G CA 0.645 45.586 45.100 -0.265 0.000 0.769 97 G HN 0.754 nan 8.290 nan 0.000 0.549 98 S N -1.161 114.386 115.700 -0.255 0.000 2.524 98 S HA 0.373 4.843 4.470 -0.000 0.000 0.216 98 S C 1.773 176.068 174.600 -0.508 0.000 0.987 98 S CA 0.852 58.914 58.200 -0.231 0.000 0.909 98 S CB 0.194 63.312 63.200 -0.138 0.000 0.781 98 S HN 1.389 nan 8.310 nan 0.000 0.521 99 G N 1.064 109.417 108.800 -0.744 0.000 2.147 99 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.244 99 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.244 99 G C 0.637 175.165 174.900 -0.619 0.000 1.005 99 G CA 0.527 44.889 45.100 -1.230 0.000 0.713 99 G HN 0.466 nan 8.290 nan 0.000 0.515 100 T N 0.009 114.350 114.554 -0.355 0.000 2.720 100 T HA -0.163 4.187 4.350 -0.000 0.000 0.268 100 T C 2.277 176.893 174.700 -0.139 0.000 1.037 100 T CA 2.059 64.053 62.100 -0.177 0.000 1.144 100 T CB -0.132 68.664 68.868 -0.121 0.000 0.864 100 T HN 0.429 nan 8.240 nan 0.000 0.444 101 Q N 0.935 120.624 119.800 -0.186 0.000 2.061 101 Q HA -0.050 4.290 4.340 -0.000 0.000 0.204 101 Q C 2.692 178.639 176.000 -0.088 0.000 0.984 101 Q CA 1.670 57.394 55.803 -0.132 0.000 0.846 101 Q CB -0.562 28.056 28.738 -0.201 0.000 0.902 101 Q HN 0.395 nan 8.270 nan 0.000 0.421 102 S N 0.305 115.934 115.700 -0.118 0.000 2.402 102 S HA -0.124 4.346 4.470 -0.000 0.000 0.229 102 S C 1.611 176.262 174.600 0.084 0.000 1.021 102 S CA 1.064 59.270 58.200 0.009 0.000 0.974 102 S CB -0.337 62.892 63.200 0.048 0.000 0.800 102 S HN 0.429 nan 8.310 nan 0.000 0.484 103 N N 1.363 120.093 118.700 0.051 0.000 2.142 103 N HA -0.031 4.709 4.740 -0.000 0.000 0.186 103 N C 1.642 177.197 175.510 0.075 0.000 1.023 103 N CA 1.256 54.359 53.050 0.088 0.000 0.852 103 N CB -0.202 38.324 38.487 0.065 0.000 0.998 103 N HN 0.130 nan 8.380 nan 0.000 0.424 104 M N 0.514 120.140 119.600 0.043 0.000 2.175 104 M HA -0.031 4.449 4.480 -0.000 0.000 0.264 104 M C 1.768 178.112 176.300 0.073 0.000 1.063 104 M CA 0.846 56.175 55.300 0.049 0.000 1.119 104 M CB -1.582 31.034 32.600 0.027 0.000 1.377 104 M HN 0.303 nan 8.290 nan 0.000 0.415 105 N N 0.694 119.442 118.700 0.081 0.000 2.104 105 N HA -0.179 4.561 4.740 -0.000 0.000 0.190 105 N C 1.577 177.208 175.510 0.202 0.000 1.024 105 N CA 1.467 54.584 53.050 0.110 0.000 0.853 105 N CB -0.165 38.405 38.487 0.138 0.000 1.008 105 N HN 0.171 nan 8.380 nan 0.000 0.424 106 M N 0.915 120.672 119.600 0.263 0.000 2.132 106 M HA 0.012 4.492 4.480 -0.000 0.000 0.263 106 M C 1.392 177.791 176.300 0.164 0.000 1.065 106 M CA 1.298 56.774 55.300 0.293 0.000 1.122 106 M CB -0.676 32.048 32.600 0.207 0.000 1.365 106 M HN 0.079 nan 8.290 nan 0.000 0.411 107 N N 0.451 119.220 118.700 0.116 0.000 2.120 107 N HA -0.162 4.578 4.740 -0.000 0.000 0.188 107 N C 1.641 177.192 175.510 0.068 0.000 1.024 107 N CA 1.767 54.865 53.050 0.081 0.000 0.852 107 N CB -0.339 38.189 38.487 0.068 0.000 1.003 107 N HN 0.580 nan 8.380 nan 0.000 0.424 108 E N 0.192 120.436 120.200 0.074 0.000 2.046 108 E HA -0.052 4.298 4.350 -0.000 0.000 0.190 108 E C 2.034 178.654 176.600 0.033 0.000 0.982 108 E CA 0.681 57.118 56.400 0.062 0.000 0.800 108 E CB 0.028 29.782 29.700 0.090 0.000 0.756 108 E HN 0.033 nan 8.360 nan 0.000 0.449 109 V N 1.286 121.218 119.914 0.031 0.000 2.343 109 V HA -0.241 3.879 4.120 -0.000 0.000 0.247 109 V C 2.226 178.287 176.094 -0.054 0.000 1.051 109 V CA 1.287 63.561 62.300 -0.045 0.000 1.036 109 V CB -0.317 31.445 31.823 -0.102 0.000 0.654 109 V HN 0.199 nan 8.190 nan 0.000 0.451 110 L N 0.125 121.353 121.223 0.009 0.000 2.093 110 L HA -0.041 4.299 4.340 -0.000 0.000 0.208 110 L C 2.520 179.381 176.870 -0.014 0.000 1.085 110 L CA 2.173 57.016 54.840 0.004 0.000 0.755 110 L CB -1.221 40.864 42.059 0.043 0.000 0.904 110 L HN 0.285 nan 8.230 nan 0.000 0.435 111 A N -0.694 122.121 122.820 -0.008 0.000 1.855 111 A HA -0.185 4.135 4.320 -0.000 0.000 0.215 111 A C 2.151 179.704 177.584 -0.052 0.000 1.191 111 A CA 1.639 53.659 52.037 -0.028 0.000 0.613 111 A CB -0.610 18.383 19.000 -0.012 0.000 0.829 111 A HN 0.452 nan 8.150 nan 0.000 0.442 112 N N -0.390 118.281 118.700 -0.048 0.000 2.069 112 N HA -0.184 4.556 4.740 -0.000 0.000 0.191 112 N C 1.886 177.355 175.510 -0.068 0.000 1.031 112 N CA 1.720 54.733 53.050 -0.062 0.000 0.852 112 N CB -0.411 38.036 38.487 -0.066 0.000 1.018 112 N HN 0.468 nan 8.380 nan 0.000 0.423 113 R N 1.150 121.602 120.500 -0.079 0.000 2.075 113 R HA 0.125 4.465 4.340 -0.000 0.000 0.232 113 R C 1.876 178.152 176.300 -0.040 0.000 1.126 113 R CA 1.505 57.562 56.100 -0.071 0.000 0.963 113 R CB -0.883 29.344 30.300 -0.122 0.000 0.858 113 R HN 0.166 nan 8.270 nan 0.000 0.435 114 A N -0.583 122.214 122.820 -0.038 0.000 2.019 114 A HA -0.126 4.194 4.320 -0.000 0.000 0.219 114 A C 2.244 179.804 177.584 -0.039 0.000 1.164 114 A CA 1.783 53.803 52.037 -0.028 0.000 0.644 114 A CB -0.852 18.133 19.000 -0.026 0.000 0.805 114 A HN 0.465 nan 8.150 nan 0.000 0.449 115 S N -0.364 115.303 115.700 -0.055 0.000 2.338 115 S HA -0.190 4.280 4.470 -0.000 0.000 0.218 115 S C 1.906 176.480 174.600 -0.042 0.000 1.032 115 S CA 1.585 59.747 58.200 -0.063 0.000 0.999 115 S CB -0.380 62.774 63.200 -0.077 0.000 0.905 115 S HN 0.674 nan 8.310 nan 0.000 0.439 116 E N 0.402 120.581 120.200 -0.037 0.000 2.097 116 E HA -0.164 4.186 4.350 -0.000 0.000 0.196 116 E C 1.980 178.571 176.600 -0.015 0.000 1.000 116 E CA 1.163 57.548 56.400 -0.025 0.000 0.804 116 E CB -0.276 29.412 29.700 -0.021 0.000 0.740 116 E HN 0.311 nan 8.360 nan 0.000 0.454 117 L N 0.303 121.519 121.223 -0.012 0.000 2.261 117 L HA -0.126 4.214 4.340 -0.000 0.000 0.216 117 L C 1.684 178.549 176.870 -0.008 0.000 1.114 117 L CA 1.413 56.250 54.840 -0.004 0.000 0.777 117 L CB -0.265 41.795 42.059 0.002 0.000 0.910 117 L HN 0.155 nan 8.230 nan 0.000 0.440 118 L N -0.986 120.228 121.223 -0.016 0.000 2.912 118 L HA 0.273 4.613 4.340 -0.000 0.000 0.240 118 L C 1.225 178.086 176.870 -0.016 0.000 1.262 118 L CA 0.208 55.038 54.840 -0.016 0.000 1.058 118 L CB -0.600 41.446 42.059 -0.022 0.000 1.383 118 L HN 0.416 nan 8.230 nan 0.000 0.512 119 G N 0.136 108.928 108.800 -0.013 0.000 2.203 119 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.263 119 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.263 119 G C 0.522 175.413 174.900 -0.016 0.000 1.012 119 G CA 0.226 45.319 45.100 -0.012 0.000 0.749 119 G HN 0.564 nan 8.290 nan 0.000 0.512 120 G N -1.978 106.808 108.800 -0.023 0.000 2.671 120 G HA2 0.754 4.714 3.960 -0.000 0.000 0.275 120 G HA3 0.754 4.714 3.960 -0.000 0.000 0.275 120 G C -0.314 174.569 174.900 -0.029 0.000 1.368 120 G CA 0.045 45.128 45.100 -0.028 0.000 1.044 120 G HN 1.199 nan 8.290 nan 0.000 0.543 121 V N -0.512 119.382 119.914 -0.033 0.000 2.864 121 V HA 0.694 4.814 4.120 -0.000 0.000 0.314 121 V C 0.114 176.183 176.094 -0.042 0.000 1.073 121 V CA -1.104 61.176 62.300 -0.034 0.000 0.956 121 V CB 1.867 33.674 31.823 -0.027 0.000 1.023 121 V HN 1.009 nan 8.190 nan 0.000 0.435 122 R N 4.060 124.532 120.500 -0.047 0.000 2.531 122 R HA 0.787 5.127 4.340 -0.000 0.000 0.273 122 R C 0.343 176.614 176.300 -0.049 0.000 1.070 122 R CA 0.569 56.636 56.100 -0.056 0.000 1.112 122 R CB 0.829 31.086 30.300 -0.071 0.000 1.049 122 R HN 1.743 nan 8.270 nan 0.000 0.508 123 G N 2.143 110.916 108.800 -0.044 0.000 2.500 123 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.209 123 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.209 123 G C 0.606 175.501 174.900 -0.007 0.000 1.283 123 G CA -0.153 44.930 45.100 -0.028 0.000 0.960 123 G HN 0.679 nan 8.290 nan 0.000 0.528 124 M N -0.549 119.054 119.600 0.005 0.000 2.192 124 M HA -0.049 4.431 4.480 -0.000 0.000 0.256 124 M C 1.284 177.604 176.300 0.033 0.000 1.076 124 M CA 2.574 57.889 55.300 0.024 0.000 1.075 124 M CB -1.420 31.191 32.600 0.019 0.000 1.368 124 M HN 0.473 nan 8.290 nan 0.000 0.406 125 E N 1.850 122.058 120.200 0.013 0.000 2.403 125 E HA 0.110 4.460 4.350 -0.000 0.000 0.188 125 E C 0.209 176.806 176.600 -0.005 0.000 1.056 125 E CA -0.104 56.305 56.400 0.014 0.000 0.892 125 E CB -0.282 29.420 29.700 0.003 0.000 1.049 125 E HN 0.666 nan 8.360 nan 0.000 0.465 126 R N 0.578 121.063 120.500 -0.026 0.000 2.698 126 R HA 0.111 4.451 4.340 -0.000 0.000 0.266 126 R C 0.594 176.785 176.300 -0.182 0.000 1.026 126 R CA 0.172 56.215 56.100 -0.094 0.000 1.102 126 R CB 0.650 30.882 30.300 -0.112 0.000 0.978 126 R HN -0.179 nan 8.270 nan 0.000 0.436 127 K N 1.003 121.297 120.400 -0.177 0.000 2.314 127 K HA 0.084 4.404 4.320 -0.000 0.000 0.198 127 K C 0.023 176.434 176.600 -0.316 0.000 1.045 127 K CA 0.401 56.578 56.287 -0.184 0.000 0.988 127 K CB 0.493 32.939 32.500 -0.090 0.000 0.783 127 K HN 0.331 nan 8.250 nan 0.000 0.484 128 V N 2.321 122.028 119.914 -0.345 0.000 2.513 128 V HA 0.173 4.293 4.120 -0.000 0.000 0.299 128 V C -0.500 175.333 176.094 -0.436 0.000 1.035 128 V CA -0.962 61.156 62.300 -0.305 0.000 0.889 128 V CB 1.524 33.270 31.823 -0.129 0.000 0.988 128 V HN 0.203 nan 8.190 nan 0.000 0.440 129 H N 6.132 125.205 119.070 0.006 0.000 2.476 129 H HA 0.297 4.853 4.556 -0.000 0.000 0.328 129 H C -1.722 173.613 175.328 0.012 0.000 1.073 129 H CA -2.025 54.028 56.048 0.008 0.000 1.229 129 H CB 2.188 31.953 29.762 0.006 0.000 1.432 129 H HN 0.386 nan 8.280 nan 0.000 0.477 130 P HA -0.186 nan 4.420 nan 0.000 0.215 130 P C 0.536 177.881 177.300 0.074 0.000 1.157 130 P CA 1.458 64.603 63.100 0.076 0.000 0.874 130 P CB 0.692 32.434 31.700 0.070 0.000 0.790 131 N N -0.586 118.161 118.700 0.077 0.000 2.197 131 N HA -0.097 4.643 4.740 -0.000 0.000 0.184 131 N C 1.699 177.236 175.510 0.045 0.000 1.030 131 N CA 1.157 54.238 53.050 0.050 0.000 0.851 131 N CB -0.790 37.717 38.487 0.034 0.000 1.003 131 N HN 0.087 nan 8.380 nan 0.000 0.430 132 D N -0.197 120.239 120.400 0.060 0.000 2.183 132 D HA -0.072 4.568 4.640 -0.000 0.000 0.203 132 D C 0.933 177.269 176.300 0.059 0.000 0.969 132 D CA 1.024 55.051 54.000 0.045 0.000 0.842 132 D CB 0.201 41.014 40.800 0.023 0.000 0.957 132 D HN 0.161 nan 8.370 nan 0.000 0.484 133 D N -0.986 119.467 120.400 0.089 0.000 2.584 133 D HA -0.006 4.634 4.640 -0.000 0.000 0.254 133 D C 2.293 178.621 176.300 0.047 0.000 1.085 133 D CA 0.478 54.517 54.000 0.065 0.000 0.971 133 D CB -0.307 40.531 40.800 0.064 0.000 1.103 133 D HN 0.041 nan 8.370 nan 0.000 0.453 134 V N 1.373 121.315 119.914 0.048 0.000 2.407 134 V HA -0.192 3.928 4.120 -0.000 0.000 0.248 134 V C 1.640 177.762 176.094 0.046 0.000 1.055 134 V CA 1.509 63.836 62.300 0.044 0.000 1.049 134 V CB -0.596 31.253 31.823 0.044 0.000 0.662 134 V HN 0.098 nan 8.190 nan 0.000 0.455 135 N N 0.053 118.778 118.700 0.043 0.000 2.313 135 N HA 0.037 4.777 4.740 -0.000 0.000 0.207 135 N C 0.539 176.058 175.510 0.016 0.000 1.141 135 N CA -0.062 53.008 53.050 0.035 0.000 0.830 135 N CB -0.137 38.370 38.487 0.033 0.000 1.008 135 N HN 0.453 nan 8.380 nan 0.000 0.481 136 K N 0.179 120.588 120.400 0.015 0.000 2.447 136 K HA 0.013 4.333 4.320 -0.000 0.000 0.281 136 K C 0.065 176.628 176.600 -0.062 0.000 1.031 136 K CA 0.511 56.789 56.287 -0.014 0.000 1.019 136 K CB 0.205 32.705 32.500 -0.000 0.000 0.918 136 K HN 0.164 nan 8.250 nan 0.000 0.476 137 S N 1.039 116.658 115.700 -0.135 0.000 3.228 137 S HA -0.191 4.279 4.470 -0.000 0.000 0.282 137 S C -0.494 173.953 174.600 -0.255 0.000 1.286 137 S CA 1.298 59.311 58.200 -0.311 0.000 1.066 137 S CB -1.278 61.530 63.200 -0.653 0.000 1.277 137 S HN 0.848 nan 8.310 nan 0.000 0.661 138 Q N -0.124 119.622 119.800 -0.090 0.000 2.486 138 Q HA 0.831 5.171 4.340 -0.000 0.000 0.274 138 Q C -0.388 175.605 176.000 -0.012 0.000 1.076 138 Q CA -0.579 55.213 55.803 -0.018 0.000 0.872 138 Q CB 2.050 30.809 28.738 0.036 0.000 1.383 138 Q HN 0.198 nan 8.270 nan 0.000 0.478 139 S N -1.351 114.355 115.700 0.009 0.000 2.535 139 S HA 0.228 4.698 4.470 -0.000 0.000 0.272 139 S C -0.118 174.496 174.600 0.024 0.000 1.149 139 S CA -0.517 57.688 58.200 0.009 0.000 0.888 139 S CB 1.561 64.762 63.200 0.001 0.000 1.110 139 S HN 0.559 nan 8.310 nan 0.000 0.463 140 S N 3.117 118.829 115.700 0.020 0.000 2.402 140 S HA -0.140 4.330 4.470 -0.000 0.000 0.233 140 S C 1.676 176.303 174.600 0.044 0.000 1.030 140 S CA 1.789 60.006 58.200 0.028 0.000 1.003 140 S CB -0.519 62.673 63.200 -0.013 0.000 0.813 140 S HN 0.763 nan 8.310 nan 0.000 0.477 141 N N 2.046 120.761 118.700 0.025 0.000 2.104 141 N HA -0.120 4.620 4.740 -0.000 0.000 0.190 141 N C 1.302 176.829 175.510 0.029 0.000 1.024 141 N CA 1.634 54.701 53.050 0.027 0.000 0.853 141 N CB -0.424 38.074 38.487 0.018 0.000 1.008 141 N HN 0.661 nan 8.380 nan 0.000 0.424 142 D N -0.566 119.845 120.400 0.018 0.000 2.392 142 D HA 0.051 4.691 4.640 -0.000 0.000 0.206 142 D C 1.646 177.945 176.300 -0.001 0.000 1.046 142 D CA 0.072 54.071 54.000 -0.002 0.000 0.865 142 D CB -0.360 40.437 40.800 -0.006 0.000 0.969 142 D HN 0.019 nan 8.370 nan 0.000 0.509 143 V N 0.237 120.171 119.914 0.034 0.000 2.346 143 V HA -0.096 4.024 4.120 -0.000 0.000 0.244 143 V C 2.182 178.294 176.094 0.030 0.000 1.037 143 V CA 1.066 63.385 62.300 0.031 0.000 1.029 143 V CB -0.714 31.144 31.823 0.059 0.000 0.663 143 V HN 0.034 nan 8.190 nan 0.000 0.454 144 F N 1.556 121.468 119.950 -0.064 0.000 2.095 144 F HA -0.074 4.453 4.527 -0.000 0.000 0.298 144 F C -0.141 175.600 175.800 -0.099 0.000 1.104 144 F CA 1.864 59.819 58.000 -0.074 0.000 1.232 144 F CB -1.459 37.501 39.000 -0.068 0.000 0.987 144 F HN 0.244 nan 8.300 nan 0.000 0.475 145 P HA -0.119 nan 4.420 nan 0.000 0.217 145 P C 1.661 178.753 177.300 -0.346 0.000 1.150 145 P CA 2.199 65.171 63.100 -0.214 0.000 0.832 145 P CB -0.184 31.414 31.700 -0.169 0.000 0.787 146 T N -0.567 113.836 114.554 -0.253 0.000 2.737 146 T HA -0.125 4.225 4.350 -0.000 0.000 0.265 146 T C 1.903 176.458 174.700 -0.242 0.000 1.038 146 T CA 1.654 63.611 62.100 -0.239 0.000 1.144 146 T CB -0.962 67.802 68.868 -0.175 0.000 0.866 146 T HN 0.031 nan 8.240 nan 0.000 0.434 147 A N 1.176 123.836 122.820 -0.266 0.000 1.933 147 A HA -0.060 4.260 4.320 -0.000 0.000 0.218 147 A C 2.317 179.724 177.584 -0.294 0.000 1.175 147 A CA 1.498 53.365 52.037 -0.284 0.000 0.628 147 A CB -0.686 18.116 19.000 -0.331 0.000 0.814 147 A HN 0.465 nan 8.150 nan 0.000 0.444 148 M N -1.729 117.650 119.600 -0.368 0.000 2.117 148 M HA -0.141 4.339 4.480 -0.000 0.000 0.262 148 M C 2.167 178.445 176.300 -0.036 0.000 1.065 148 M CA 1.522 56.666 55.300 -0.259 0.000 1.114 148 M CB -0.438 32.000 32.600 -0.271 0.000 1.361 148 M HN 0.471 nan 8.290 nan 0.000 0.408 149 H N -0.517 118.444 119.070 -0.181 0.000 2.389 149 H HA -0.035 4.521 4.556 -0.000 0.000 0.299 149 H C 2.171 177.528 175.328 0.049 0.000 1.081 149 H CA 1.300 57.301 56.048 -0.078 0.000 1.345 149 H CB -0.582 29.160 29.762 -0.032 0.000 1.393 149 H HN 0.123 nan 8.280 nan 0.000 0.520 150 V N 0.574 120.521 119.914 0.055 0.000 2.307 150 V HA -0.230 3.890 4.120 -0.000 0.000 0.245 150 V C 2.619 178.795 176.094 0.135 0.000 1.045 150 V CA 1.668 63.990 62.300 0.036 0.000 1.024 150 V CB -1.068 30.601 31.823 -0.258 0.000 0.651 150 V HN 0.519 nan 8.190 nan 0.000 0.449 151 A N -0.073 122.764 122.820 0.029 0.000 1.898 151 A HA -0.070 4.250 4.320 -0.000 0.000 0.216 151 A C 2.418 180.049 177.584 0.078 0.000 1.181 151 A CA 2.031 54.088 52.037 0.033 0.000 0.620 151 A CB -0.768 18.215 19.000 -0.028 0.000 0.819 151 A HN 0.550 nan 8.150 nan 0.000 0.442 152 A N -0.420 122.437 122.820 0.061 0.000 1.845 152 A HA -0.046 4.274 4.320 -0.000 0.000 0.215 152 A C 2.144 179.794 177.584 0.110 0.000 1.195 152 A CA 1.763 53.852 52.037 0.087 0.000 0.616 152 A CB -0.787 18.100 19.000 -0.189 0.000 0.832 152 A HN 0.632 nan 8.150 nan 0.000 0.443 153 L N -0.061 121.210 121.223 0.080 0.000 2.012 153 L HA -0.142 4.198 4.340 -0.000 0.000 0.210 153 L C 2.359 179.256 176.870 0.044 0.000 1.073 153 L CA 1.731 56.593 54.840 0.037 0.000 0.748 153 L CB -0.476 41.570 42.059 -0.021 0.000 0.891 153 L HN 0.432 nan 8.230 nan 0.000 0.431 154 L N -1.090 120.198 121.223 0.109 0.000 2.093 154 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 154 L C 2.621 179.527 176.870 0.060 0.000 1.085 154 L CA 1.074 55.965 54.840 0.084 0.000 0.755 154 L CB -0.973 41.160 42.059 0.123 0.000 0.904 154 L HN 0.361 nan 8.230 nan 0.000 0.435 155 A N 0.195 123.059 122.820 0.074 0.000 1.930 155 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 155 A C 2.263 179.873 177.584 0.044 0.000 1.175 155 A CA 1.208 53.281 52.037 0.059 0.000 0.627 155 A CB -0.523 18.524 19.000 0.078 0.000 0.815 155 A HN 0.329 nan 8.150 nan 0.000 0.443 156 L N -1.299 119.961 121.223 0.061 0.000 2.027 156 L HA -0.156 4.184 4.340 -0.000 0.000 0.206 156 L C 2.907 179.781 176.870 0.006 0.000 1.074 156 L CA 1.518 56.380 54.840 0.036 0.000 0.745 156 L CB -0.455 41.641 42.059 0.062 0.000 0.898 156 L HN 0.322 nan 8.230 nan 0.000 0.433 157 R N 0.016 120.515 120.500 -0.002 0.000 2.075 157 R HA -0.110 4.230 4.340 -0.000 0.000 0.232 157 R C 2.307 178.600 176.300 -0.011 0.000 1.126 157 R CA 1.230 57.319 56.100 -0.019 0.000 0.963 157 R CB -0.072 30.204 30.300 -0.039 0.000 0.858 157 R HN 0.300 nan 8.270 nan 0.000 0.435 158 K N -0.279 120.122 120.400 0.002 0.000 2.137 158 K HA -0.053 4.267 4.320 -0.000 0.000 0.202 158 K C 1.966 178.569 176.600 0.005 0.000 1.052 158 K CA 1.038 57.329 56.287 0.006 0.000 0.961 158 K CB 0.239 32.750 32.500 0.019 0.000 0.741 158 K HN 0.096 nan 8.250 nan 0.000 0.452 159 Q N 0.057 119.860 119.800 0.005 0.000 2.389 159 Q HA 0.098 4.438 4.340 -0.000 0.000 0.201 159 Q C 1.919 177.914 176.000 -0.009 0.000 0.956 159 Q CA 0.114 55.917 55.803 -0.000 0.000 0.871 159 Q CB 0.011 28.750 28.738 0.001 0.000 0.990 159 Q HN 0.042 nan 8.270 nan 0.000 0.554 160 L N 1.087 122.301 121.223 -0.015 0.000 1.976 160 L HA -0.134 4.206 4.340 -0.000 0.000 0.209 160 L C 2.057 178.913 176.870 -0.024 0.000 1.071 160 L CA 1.885 56.709 54.840 -0.026 0.000 0.746 160 L CB -0.760 41.276 42.059 -0.038 0.000 0.890 160 L HN 0.362 nan 8.230 nan 0.000 0.432 161 I N 0.374 120.930 120.570 -0.022 0.000 2.151 161 I HA -0.262 3.908 4.170 -0.000 0.000 0.243 161 I C -0.319 175.785 176.117 -0.021 0.000 1.080 161 I CA 1.423 62.707 61.300 -0.026 0.000 1.339 161 I CB -1.570 36.411 38.000 -0.030 0.000 1.039 161 I HN 0.269 nan 8.210 nan 0.000 0.409 162 P HA -0.147 nan 4.420 nan 0.000 0.216 162 P C 1.528 178.822 177.300 -0.009 0.000 1.153 162 P CA 1.133 64.225 63.100 -0.013 0.000 0.848 162 P CB -0.034 31.660 31.700 -0.010 0.000 0.787 163 Q N -0.828 118.968 119.800 -0.007 0.000 2.124 163 Q HA -0.141 4.199 4.340 -0.000 0.000 0.202 163 Q C 2.129 178.131 176.000 0.003 0.000 0.977 163 Q CA 1.087 56.890 55.803 -0.000 0.000 0.850 163 Q CB -1.305 27.433 28.738 0.000 0.000 0.901 163 Q HN 0.236 nan 8.270 nan 0.000 0.429 164 L N 1.286 122.506 121.223 -0.005 0.000 2.017 164 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 164 L C 2.066 178.937 176.870 0.002 0.000 1.073 164 L CA 1.913 56.751 54.840 -0.003 0.000 0.745 164 L CB -0.459 41.591 42.059 -0.015 0.000 0.894 164 L HN -0.038 nan 8.230 nan 0.000 0.432 165 K N -1.101 119.295 120.400 -0.007 0.000 2.063 165 K HA -0.131 4.189 4.320 -0.000 0.000 0.208 165 K C 1.929 178.529 176.600 -0.000 0.000 1.048 165 K CA 2.022 58.304 56.287 -0.008 0.000 0.928 165 K CB -0.496 31.994 32.500 -0.017 0.000 0.713 165 K HN 0.407 nan 8.250 nan 0.000 0.442 166 T N 1.193 115.748 114.554 0.001 0.000 2.708 166 T HA -0.142 4.208 4.350 -0.000 0.000 0.266 166 T C 1.586 176.296 174.700 0.016 0.000 1.037 166 T CA 1.238 63.340 62.100 0.003 0.000 1.146 166 T CB -0.260 68.607 68.868 -0.001 0.000 0.865 166 T HN 0.078 nan 8.240 nan 0.000 0.435 167 L N 1.213 122.456 121.223 0.034 0.000 2.083 167 L HA -0.076 4.264 4.340 -0.000 0.000 0.209 167 L C 2.428 179.341 176.870 0.072 0.000 1.083 167 L CA 1.824 56.704 54.840 0.067 0.000 0.752 167 L CB -1.247 40.868 42.059 0.095 0.000 0.899 167 L HN 0.209 nan 8.230 nan 0.000 0.433 168 T N -0.954 113.631 114.554 0.052 0.000 2.746 168 T HA -0.203 4.147 4.350 -0.000 0.000 0.267 168 T C 1.784 176.506 174.700 0.037 0.000 1.039 168 T CA 1.390 63.522 62.100 0.053 0.000 1.142 168 T CB -0.226 68.659 68.868 0.029 0.000 0.866 168 T HN 0.393 nan 8.240 nan 0.000 0.444 169 Q N 0.655 120.465 119.800 0.017 0.000 2.119 169 Q HA -0.107 4.233 4.340 -0.000 0.000 0.201 169 Q C 2.322 178.321 176.000 -0.002 0.000 0.972 169 Q CA 1.488 57.291 55.803 0.001 0.000 0.847 169 Q CB -0.512 28.221 28.738 -0.008 0.000 0.903 169 Q HN 0.474 nan 8.270 nan 0.000 0.433 170 T N 1.659 116.219 114.554 0.009 0.000 2.674 170 T HA -0.079 4.271 4.350 -0.000 0.000 0.265 170 T C 1.973 176.681 174.700 0.014 0.000 1.039 170 T CA 1.122 63.223 62.100 0.003 0.000 1.150 170 T CB -0.227 68.647 68.868 0.009 0.000 0.864 170 T HN 0.242 nan 8.240 nan 0.000 0.427 171 L N 1.272 122.536 121.223 0.068 0.000 2.201 171 L HA -0.057 4.283 4.340 -0.000 0.000 0.212 171 L C 2.602 179.495 176.870 0.038 0.000 1.105 171 L CA 0.911 55.819 54.840 0.113 0.000 0.775 171 L CB -0.568 41.634 42.059 0.238 0.000 0.913 171 L HN 0.389 nan 8.230 nan 0.000 0.440 172 N N 0.165 118.873 118.700 0.014 0.000 2.216 172 N HA -0.183 4.557 4.740 -0.000 0.000 0.183 172 N C 1.621 177.091 175.510 -0.067 0.000 1.017 172 N CA 0.944 53.983 53.050 -0.019 0.000 0.861 172 N CB 0.219 38.698 38.487 -0.013 0.000 0.986 172 N HN 0.446 nan 8.380 nan 0.000 0.428 173 E N 0.538 120.692 120.200 -0.078 0.000 2.072 173 E HA -0.134 4.216 4.350 -0.000 0.000 0.191 173 E C 1.915 178.378 176.600 -0.228 0.000 0.985 173 E CA 0.819 57.146 56.400 -0.122 0.000 0.801 173 E CB 0.134 29.773 29.700 -0.102 0.000 0.750 173 E HN 0.205 nan 8.360 nan 0.000 0.452 174 K N 0.617 120.863 120.400 -0.256 0.000 2.057 174 K HA -0.102 4.218 4.320 -0.000 0.000 0.207 174 K C 2.341 178.633 176.600 -0.513 0.000 1.049 174 K CA 0.841 56.820 56.287 -0.513 0.000 0.931 174 K CB -0.593 31.762 32.500 -0.241 0.000 0.714 174 K HN 0.001 nan 8.250 nan 0.000 0.440 175 S N 1.120 116.682 115.700 -0.230 0.000 2.359 175 S HA -0.198 4.272 4.470 -0.000 0.000 0.224 175 S C 2.134 176.645 174.600 -0.147 0.000 1.035 175 S CA 1.458 59.568 58.200 -0.150 0.000 1.018 175 S CB -0.042 63.102 63.200 -0.094 0.000 0.876 175 S HN 0.333 nan 8.310 nan 0.000 0.448 176 R N 0.435 120.839 120.500 -0.161 0.000 2.075 176 R HA 0.013 4.353 4.340 -0.000 0.000 0.232 176 R C 2.368 178.579 176.300 -0.148 0.000 1.126 176 R CA 1.381 57.406 56.100 -0.124 0.000 0.963 176 R CB -0.756 29.480 30.300 -0.107 0.000 0.858 176 R HN 0.457 nan 8.270 nan 0.000 0.435 177 A N 0.256 122.903 122.820 -0.288 0.000 1.969 177 A HA -0.077 4.243 4.320 -0.000 0.000 0.218 177 A C 1.081 178.614 177.584 -0.085 0.000 1.169 177 A CA 0.893 52.753 52.037 -0.295 0.000 0.635 177 A CB -0.204 18.477 19.000 -0.533 0.000 0.810 177 A HN 0.378 nan 8.150 nan 0.000 0.445 178 F N -0.822 119.112 119.950 -0.027 0.000 2.647 178 F HA 0.462 4.989 4.527 -0.000 0.000 0.300 178 F C 1.999 177.775 175.800 -0.039 0.000 1.106 178 F CA -0.836 57.145 58.000 -0.032 0.000 1.313 178 F CB -0.958 38.017 39.000 -0.041 0.000 1.007 178 F HN 0.213 nan 8.300 nan 0.000 0.536 179 A N 0.458 123.333 122.820 0.093 0.000 2.131 179 A HA -0.181 4.139 4.320 -0.000 0.000 0.220 179 A C 1.997 179.605 177.584 0.040 0.000 1.158 179 A CA 2.002 54.062 52.037 0.039 0.000 0.665 179 A CB -0.571 18.430 19.000 0.003 0.000 0.795 179 A HN 0.445 nan 8.150 nan 0.000 0.460 180 D N -0.928 119.507 120.400 0.059 0.000 2.379 180 D HA 0.088 4.728 4.640 -0.000 0.000 0.208 180 D C 0.337 176.657 176.300 0.033 0.000 1.065 180 D CA -0.166 53.857 54.000 0.039 0.000 0.848 180 D CB -0.201 40.621 40.800 0.037 0.000 0.949 180 D HN 0.443 nan 8.370 nan 0.000 0.509 181 I N 2.086 122.682 120.570 0.044 0.000 2.322 181 I HA 0.088 4.258 4.170 -0.000 0.000 0.292 181 I C 0.006 176.123 176.117 -0.000 0.000 1.060 181 I CA -0.623 60.684 61.300 0.011 0.000 1.309 181 I CB 1.666 39.654 38.000 -0.020 0.000 1.415 181 I HN -0.269 nan 8.210 nan 0.000 0.492 182 V N 7.836 127.748 119.914 -0.004 0.000 2.546 182 V HA 0.315 4.435 4.120 -0.000 0.000 0.284 182 V C 0.215 176.303 176.094 -0.010 0.000 1.050 182 V CA -0.285 62.012 62.300 -0.005 0.000 0.981 182 V CB 1.220 33.042 31.823 -0.002 0.000 0.990 182 V HN 0.811 nan 8.190 nan 0.000 0.474 183 K N 3.729 124.123 120.400 -0.010 0.000 2.466 183 K HA 0.739 5.059 4.320 -0.000 0.000 0.260 183 K C -1.092 175.506 176.600 -0.002 0.000 1.011 183 K CA -1.091 55.191 56.287 -0.008 0.000 0.871 183 K CB 1.998 34.491 32.500 -0.013 0.000 1.404 183 K HN 0.340 nan 8.250 nan 0.000 0.450 184 I N 1.613 122.185 120.570 0.003 0.000 2.496 184 I HA 0.259 4.429 4.170 -0.000 0.000 0.285 184 I C 0.301 176.422 176.117 0.006 0.000 1.080 184 I CA 0.547 61.850 61.300 0.005 0.000 1.404 184 I CB 0.985 38.989 38.000 0.007 0.000 1.403 184 I HN 0.767 nan 8.210 nan 0.000 0.539 185 G N 6.847 115.650 108.800 0.005 0.000 2.537 185 G HA2 0.523 4.483 3.960 -0.000 0.000 0.273 185 G HA3 0.523 4.483 3.960 -0.000 0.000 0.273 185 G C -0.650 174.256 174.900 0.010 0.000 1.189 185 G CA -0.667 44.437 45.100 0.007 0.000 0.881 185 G HN 0.645 nan 8.290 nan 0.000 0.535 186 R N -0.144 120.362 120.500 0.010 0.000 2.515 186 R HA 0.468 4.808 4.340 -0.000 0.000 0.291 186 R C -0.943 175.359 176.300 0.002 0.000 1.046 186 R CA -0.590 55.514 56.100 0.007 0.000 0.914 186 R CB 2.139 32.436 30.300 -0.005 0.000 1.191 186 R HN 0.725 nan 8.270 nan 0.000 0.435 187 T N -1.031 113.542 114.554 0.030 0.000 2.848 187 T HA 0.301 4.651 4.350 -0.000 0.000 0.285 187 T C 0.347 175.120 174.700 0.121 0.000 0.995 187 T CA -0.754 61.361 62.100 0.025 0.000 0.970 187 T CB 1.047 69.972 68.868 0.096 0.000 0.976 187 T HN 0.850 nan 8.240 nan 0.000 0.441 188 H N 1.403 120.448 119.070 -0.041 0.000 3.047 188 H HA -0.152 4.404 4.556 -0.000 0.000 0.263 188 H C 0.366 175.653 175.328 -0.069 0.000 1.168 188 H CA 0.572 56.590 56.048 -0.049 0.000 1.152 188 H CB -1.090 28.651 29.762 -0.035 0.000 1.278 188 H HN 0.684 nan 8.280 nan 0.000 0.339 189 L N -2.146 119.075 121.223 -0.004 0.000 4.950 189 L HA -0.233 4.107 4.340 -0.000 0.000 0.413 189 L C 0.610 177.465 176.870 -0.025 0.000 1.020 189 L CA 1.397 56.200 54.840 -0.062 0.000 1.239 189 L CB -1.095 40.897 42.059 -0.112 0.000 2.004 189 L HN 0.386 nan 8.230 nan 0.000 0.658 190 Q N 0.253 120.065 119.800 0.020 0.000 2.226 190 Q HA 0.389 4.729 4.340 -0.000 0.000 0.256 190 Q C -0.106 175.899 176.000 0.007 0.000 0.962 190 Q CA -0.733 55.074 55.803 0.008 0.000 0.887 190 Q CB 1.117 29.860 28.738 0.008 0.000 1.282 190 Q HN 0.107 nan 8.270 nan 0.000 0.449 191 D N 1.050 121.445 120.400 -0.008 0.000 2.487 191 D HA 0.282 4.922 4.640 -0.000 0.000 0.243 191 D C -0.308 175.992 176.300 -0.000 0.000 1.154 191 D CA 0.404 54.400 54.000 -0.007 0.000 0.876 191 D CB 0.676 41.464 40.800 -0.020 0.000 1.161 191 D HN 0.536 nan 8.370 nan 0.000 0.478 192 A N 1.938 124.762 122.820 0.007 0.000 2.548 192 A HA 0.728 5.048 4.320 -0.000 0.000 0.262 192 A C 0.101 177.689 177.584 0.007 0.000 1.271 192 A CA -0.675 51.370 52.037 0.013 0.000 0.839 192 A CB 0.468 19.483 19.000 0.026 0.000 1.381 192 A HN 0.476 nan 8.150 nan 0.000 0.468 193 T N 0.485 115.044 114.554 0.008 0.000 2.900 193 T HA 0.480 4.830 4.350 -0.000 0.000 0.307 193 T C -2.293 172.409 174.700 0.002 0.000 1.065 193 T CA -0.936 61.166 62.100 0.004 0.000 1.105 193 T CB 0.194 69.064 68.868 0.004 0.000 0.979 193 T HN 0.509 nan 8.240 nan 0.000 0.544 194 P HA 0.406 nan 4.420 nan 0.000 0.272 194 P C -0.537 176.761 177.300 -0.004 0.000 1.223 194 P CA -0.535 62.564 63.100 -0.001 0.000 0.784 194 P CB 0.657 32.357 31.700 -0.001 0.000 0.923 195 L N -1.309 119.910 121.223 -0.007 0.000 2.600 195 L HA 0.721 5.061 4.340 -0.000 0.000 0.257 195 L C -0.544 176.317 176.870 -0.016 0.000 1.048 195 L CA -0.939 53.894 54.840 -0.013 0.000 0.869 195 L CB 1.825 43.873 42.059 -0.018 0.000 1.482 195 L HN 0.389 nan 8.230 nan 0.000 0.408 196 T N -1.007 113.536 114.554 -0.019 0.000 2.922 196 T HA 0.340 4.690 4.350 -0.000 0.000 0.285 196 T C 0.853 175.537 174.700 -0.027 0.000 1.005 196 T CA -0.538 61.553 62.100 -0.014 0.000 1.061 196 T CB 1.597 70.464 68.868 -0.002 0.000 1.007 196 T HN 0.728 nan 8.240 nan 0.000 0.502 197 L N 2.998 124.211 121.223 -0.015 0.000 2.081 197 L HA 0.123 4.463 4.340 -0.000 0.000 0.212 197 L C 2.468 179.320 176.870 -0.030 0.000 1.080 197 L CA 2.503 57.327 54.840 -0.027 0.000 0.754 197 L CB -1.329 40.724 42.059 -0.011 0.000 0.893 197 L HN 1.001 nan 8.230 nan 0.000 0.433 198 G N -1.640 107.175 108.800 0.024 0.000 2.418 198 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.217 198 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.217 198 G C 1.465 176.315 174.900 -0.083 0.000 1.158 198 G CA 0.757 45.849 45.100 -0.012 0.000 0.771 198 G HN 0.539 nan 8.290 nan 0.000 0.545 199 Q N -0.320 119.436 119.800 -0.073 0.000 2.079 199 Q HA -0.062 4.278 4.340 -0.000 0.000 0.200 199 Q C 2.414 178.329 176.000 -0.142 0.000 0.974 199 Q CA 1.235 56.989 55.803 -0.081 0.000 0.840 199 Q CB -0.139 28.569 28.738 -0.051 0.000 0.898 199 Q HN 0.661 nan 8.270 nan 0.000 0.430 200 E N 0.766 120.855 120.200 -0.186 0.000 2.077 200 E HA -0.191 4.159 4.350 -0.000 0.000 0.193 200 E C 1.817 178.033 176.600 -0.641 0.000 0.989 200 E CA 0.880 57.102 56.400 -0.297 0.000 0.800 200 E CB 0.015 29.568 29.700 -0.245 0.000 0.746 200 E HN 0.350 nan 8.360 nan 0.000 0.452 201 I N 0.894 121.068 120.570 -0.660 0.000 2.546 201 I HA -0.194 3.976 4.170 -0.000 0.000 0.255 201 I C 2.543 178.440 176.117 -0.368 0.000 1.163 201 I CA 0.935 61.724 61.300 -0.851 0.000 1.457 201 I CB -0.241 37.476 38.000 -0.471 0.000 1.092 201 I HN 0.163 nan 8.210 nan 0.000 0.434 202 S N 0.931 116.504 115.700 -0.212 0.000 2.447 202 S HA -0.085 4.385 4.470 -0.000 0.000 0.233 202 S C 2.102 176.691 174.600 -0.018 0.000 1.006 202 S CA 1.006 59.161 58.200 -0.075 0.000 0.957 202 S CB -0.885 62.282 63.200 -0.055 0.000 0.773 202 S HN 0.470 nan 8.310 nan 0.000 0.507 203 G N 0.666 109.426 108.800 -0.067 0.000 2.402 203 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.216 203 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.216 203 G C 1.137 176.166 174.900 0.215 0.000 1.162 203 G CA 0.744 45.873 45.100 0.049 0.000 0.777 203 G HN 0.561 nan 8.290 nan 0.000 0.539 204 W N 0.802 122.134 121.300 0.052 0.000 2.358 204 W HA -0.008 4.652 4.660 -0.000 0.000 0.303 204 W C 2.578 179.129 176.519 0.055 0.000 1.208 204 W CA 0.442 57.819 57.345 0.055 0.000 1.274 204 W CB -1.377 28.126 29.460 0.071 0.000 1.138 204 W HN 0.056 nan 8.180 nan 0.000 0.515 205 V N 1.179 121.257 119.914 0.273 0.000 2.287 205 V HA -0.298 3.822 4.120 -0.000 0.000 0.248 205 V C 2.566 178.741 176.094 0.135 0.000 1.053 205 V CA 2.547 64.944 62.300 0.162 0.000 1.027 205 V CB -1.705 30.172 31.823 0.091 0.000 0.646 205 V HN 0.156 nan 8.190 nan 0.000 0.447 206 A N -0.751 122.154 122.820 0.143 0.000 1.972 206 A HA -0.238 4.082 4.320 -0.000 0.000 0.219 206 A C 2.228 179.983 177.584 0.285 0.000 1.169 206 A CA 2.222 54.368 52.037 0.182 0.000 0.635 206 A CB -0.499 18.614 19.000 0.188 0.000 0.810 206 A HN 0.525 nan 8.150 nan 0.000 0.446 207 M N -0.588 119.145 119.600 0.221 0.000 2.086 207 M HA -0.103 4.377 4.480 -0.000 0.000 0.261 207 M C 2.039 178.438 176.300 0.164 0.000 1.067 207 M CA 1.466 56.877 55.300 0.184 0.000 1.116 207 M CB -0.492 32.191 32.600 0.139 0.000 1.348 207 M HN 0.365 nan 8.290 nan 0.000 0.407 208 L N -0.462 120.837 121.223 0.128 0.000 2.093 208 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 208 L C 2.246 179.151 176.870 0.058 0.000 1.085 208 L CA 1.240 56.128 54.840 0.080 0.000 0.755 208 L CB -0.801 41.300 42.059 0.070 0.000 0.904 208 L HN 0.369 nan 8.230 nan 0.000 0.435 209 E N -0.789 119.440 120.200 0.048 0.000 2.072 209 E HA -0.199 4.151 4.350 -0.000 0.000 0.191 209 E C 2.164 178.718 176.600 -0.076 0.000 0.985 209 E CA 0.881 57.258 56.400 -0.039 0.000 0.801 209 E CB -0.088 29.560 29.700 -0.085 0.000 0.750 209 E HN 0.558 nan 8.360 nan 0.000 0.452 210 H N 0.633 119.703 119.070 -0.000 0.000 2.357 210 H HA -0.030 4.526 4.556 -0.000 0.000 0.301 210 H C 2.016 177.363 175.328 0.031 0.000 1.082 210 H CA 0.961 57.006 56.048 -0.005 0.000 1.342 210 H CB 0.015 29.822 29.762 0.074 0.000 1.389 210 H HN 0.169 nan 8.280 nan 0.000 0.511 211 N N 1.001 119.827 118.700 0.210 0.000 2.104 211 N HA -0.138 4.602 4.740 -0.000 0.000 0.190 211 N C 2.195 177.740 175.510 0.057 0.000 1.024 211 N CA 0.645 53.794 53.050 0.164 0.000 0.853 211 N CB -0.359 38.177 38.487 0.083 0.000 1.008 211 N HN 0.192 nan 8.380 nan 0.000 0.424 212 L N 2.543 123.758 121.223 -0.014 0.000 2.012 212 L HA -0.207 4.133 4.340 -0.000 0.000 0.210 212 L C 2.354 179.126 176.870 -0.163 0.000 1.073 212 L CA 1.859 56.654 54.840 -0.074 0.000 0.748 212 L CB -0.609 41.402 42.059 -0.080 0.000 0.891 212 L HN 0.211 nan 8.230 nan 0.000 0.431 213 K N -2.452 117.792 120.400 -0.259 0.000 2.097 213 K HA -0.210 4.110 4.320 -0.000 0.000 0.205 213 K C 2.038 178.206 176.600 -0.721 0.000 1.050 213 K CA 1.574 57.539 56.287 -0.537 0.000 0.938 213 K CB -0.809 31.360 32.500 -0.551 0.000 0.718 213 K HN 0.433 nan 8.250 nan 0.000 0.442 214 H N 1.141 120.063 119.070 -0.247 0.000 2.353 214 H HA 0.009 4.565 4.556 -0.000 0.000 0.300 214 H C 2.236 177.543 175.328 -0.034 0.000 1.090 214 H CA 1.581 57.607 56.048 -0.037 0.000 1.327 214 H CB -0.105 29.693 29.762 0.061 0.000 1.383 214 H HN 0.227 nan 8.280 nan 0.000 0.508 215 I N 0.761 121.357 120.570 0.044 0.000 2.315 215 I HA -0.194 3.976 4.170 -0.000 0.000 0.248 215 I C 2.216 178.326 176.117 -0.012 0.000 1.117 215 I CA 1.054 62.368 61.300 0.023 0.000 1.404 215 I CB -0.155 37.841 38.000 -0.006 0.000 1.071 215 I HN 0.231 nan 8.210 nan 0.000 0.419 216 E N 0.045 120.174 120.200 -0.118 0.000 2.150 216 E HA -0.206 4.144 4.350 -0.000 0.000 0.193 216 E C 1.991 178.579 176.600 -0.020 0.000 0.985 216 E CA 1.103 57.431 56.400 -0.120 0.000 0.814 216 E CB -0.070 29.499 29.700 -0.219 0.000 0.752 216 E HN 0.476 nan 8.360 nan 0.000 0.466 217 Y N 0.694 121.009 120.300 0.025 0.000 2.421 217 Y HA -0.122 4.428 4.550 -0.000 0.000 0.292 217 Y C 2.626 178.556 175.900 0.050 0.000 1.136 217 Y CA 1.042 59.162 58.100 0.034 0.000 1.255 217 Y CB -0.491 38.001 38.460 0.054 0.000 0.991 217 Y HN 0.055 nan 8.280 nan 0.000 0.552 218 S N -1.109 114.711 115.700 0.201 0.000 2.528 218 S HA 0.007 4.477 4.470 -0.000 0.000 0.219 218 S C 1.755 176.410 174.600 0.092 0.000 0.985 218 S CA 0.140 58.429 58.200 0.149 0.000 0.914 218 S CB -0.701 62.581 63.200 0.137 0.000 0.776 218 S HN 0.417 nan 8.310 nan 0.000 0.526 219 L N 1.141 122.400 121.223 0.061 0.000 2.083 219 L HA 0.037 4.377 4.340 -0.000 0.000 0.209 219 L C -0.659 176.215 176.870 0.007 0.000 1.083 219 L CA 1.045 55.889 54.840 0.007 0.000 0.752 219 L CB -1.978 40.067 42.059 -0.022 0.000 0.899 219 L HN 0.257 nan 8.230 nan 0.000 0.433 220 P HA -0.189 nan 4.420 nan 0.000 0.216 220 P C 1.454 178.818 177.300 0.108 0.000 1.150 220 P CA 1.396 64.527 63.100 0.052 0.000 0.837 220 P CB -0.038 31.695 31.700 0.055 0.000 0.786 221 H N -0.488 118.581 119.070 -0.001 0.000 2.428 221 H HA -0.021 4.535 4.556 -0.000 0.000 0.296 221 H C 1.609 176.908 175.328 -0.047 0.000 1.062 221 H CA 0.979 57.029 56.048 0.003 0.000 1.350 221 H CB -0.759 29.010 29.762 0.011 0.000 1.403 221 H HN -0.144 nan 8.280 nan 0.000 0.533 222 V N 0.494 120.351 119.914 -0.095 0.000 2.667 222 V HA -0.112 4.008 4.120 -0.000 0.000 0.252 222 V C 2.616 178.619 176.094 -0.152 0.000 1.065 222 V CA 1.268 63.324 62.300 -0.406 0.000 1.083 222 V CB -1.022 30.596 31.823 -0.341 0.000 0.692 222 V HN 0.545 nan 8.190 nan 0.000 0.468 223 A N -0.611 122.217 122.820 0.014 0.000 2.167 223 A HA -0.026 4.294 4.320 -0.000 0.000 0.214 223 A C 1.013 178.773 177.584 0.295 0.000 1.151 223 A CA 0.250 52.355 52.037 0.114 0.000 0.735 223 A CB -0.328 18.637 19.000 -0.059 0.000 0.802 223 A HN 0.611 nan 8.150 nan 0.000 0.467 224 E N 0.276 120.638 120.200 0.272 0.000 2.290 224 E HA 0.396 4.746 4.350 -0.000 0.000 0.277 224 E C -0.963 175.803 176.600 0.278 0.000 1.035 224 E CA -0.127 56.428 56.400 0.258 0.000 0.873 224 E CB 0.766 30.622 29.700 0.259 0.000 1.029 224 E HN 0.393 nan 8.360 nan 0.000 0.419 225 L N 1.768 123.079 121.223 0.147 0.000 2.322 225 L HA 0.359 4.699 4.340 -0.000 0.000 0.279 225 L C 0.997 177.845 176.870 -0.037 0.000 1.036 225 L CA -0.482 54.371 54.840 0.022 0.000 0.807 225 L CB 1.490 43.526 42.059 -0.037 0.000 1.226 225 L HN 0.638 nan 8.230 nan 0.000 0.433 226 A N 3.214 125.971 122.820 -0.105 0.000 2.072 226 A HA 0.164 4.484 4.320 -0.000 0.000 0.216 226 A C 0.963 178.513 177.584 -0.057 0.000 1.156 226 A CA 0.012 51.994 52.037 -0.093 0.000 0.701 226 A CB -0.080 18.844 19.000 -0.127 0.000 0.816 226 A HN 0.607 nan 8.150 nan 0.000 0.458 227 L N 0.236 121.429 121.223 -0.051 0.000 2.667 227 L HA 0.146 4.486 4.340 -0.000 0.000 0.278 227 L C 1.454 178.364 176.870 0.068 0.000 1.217 227 L CA 1.292 56.138 54.840 0.010 0.000 0.935 227 L CB 0.187 42.227 42.059 -0.032 0.000 1.193 227 L HN 0.612 nan 8.230 nan 0.000 0.493 228 G N 2.480 111.379 108.800 0.165 0.000 2.284 228 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.201 228 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.201 228 G C 0.876 175.806 174.900 0.050 0.000 0.998 228 G CA 0.054 45.276 45.100 0.204 0.000 0.651 228 G HN 0.819 nan 8.290 nan 0.000 0.489 229 G N -0.533 108.257 108.800 -0.017 0.000 2.443 229 G HA2 0.311 4.271 3.960 -0.000 0.000 0.219 229 G HA3 0.311 4.271 3.960 -0.000 0.000 0.219 229 G C 1.110 175.968 174.900 -0.070 0.000 1.131 229 G CA 2.076 47.116 45.100 -0.101 0.000 0.775 229 G HN 1.567 nan 8.290 nan 0.000 0.547 230 T N -1.373 113.165 114.554 -0.027 0.000 0.586 230 T HA -0.300 4.050 4.350 -0.000 0.000 0.774 230 T C 1.951 176.642 174.700 -0.015 0.000 0.992 230 T CA 1.607 63.694 62.100 -0.022 0.000 4.077 230 T CB -1.347 67.502 68.868 -0.032 0.000 2.303 230 T HN 1.107 nan 8.240 nan 0.000 0.398 231 A N -0.082 122.735 122.820 -0.005 0.000 1.865 231 A HA -0.022 4.298 4.320 -0.000 0.000 0.217 231 A C 2.204 179.805 177.584 0.027 0.000 1.191 231 A CA 3.884 55.927 52.037 0.010 0.000 0.623 231 A CB -0.674 18.333 19.000 0.012 0.000 0.826 231 A HN 1.727 nan 8.150 nan 0.000 0.444 232 V N -5.602 114.336 119.914 0.041 0.000 3.346 232 V HA 0.630 4.750 4.120 -0.000 0.000 0.309 232 V C 1.151 177.297 176.094 0.087 0.000 1.457 232 V CA 0.676 63.032 62.300 0.093 0.000 1.069 232 V CB -0.447 31.456 31.823 0.134 0.000 0.944 232 V HN 1.626 nan 8.190 nan 0.000 0.449 233 G N 1.364 110.119 108.800 -0.075 0.000 2.195 233 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.224 233 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.224 233 G C 0.976 175.604 174.900 -0.453 0.000 0.990 233 G CA 0.970 45.825 45.100 -0.407 0.000 0.639 233 G HN 0.992 nan 8.290 nan 0.000 0.514 234 T N -1.354 113.169 114.554 -0.051 0.000 2.995 234 T HA 0.365 4.715 4.350 -0.000 0.000 0.269 234 T C 2.528 177.231 174.700 0.005 0.000 1.091 234 T CA 1.850 63.995 62.100 0.075 0.000 1.128 234 T CB -0.091 68.867 68.868 0.150 0.000 0.891 234 T HN 2.262 nan 8.240 nan 0.000 0.492 235 G N 0.922 109.704 108.800 -0.029 0.000 2.132 235 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.234 235 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.234 235 G C -0.112 174.780 174.900 -0.012 0.000 0.989 235 G CA -0.020 45.069 45.100 -0.019 0.000 0.676 235 G HN 0.788 nan 8.290 nan 0.000 0.522 236 L N 0.602 121.822 121.223 -0.004 0.000 2.525 236 L HA 0.468 4.808 4.340 -0.000 0.000 0.278 236 L C 0.863 177.716 176.870 -0.027 0.000 1.218 236 L CA 1.101 55.937 54.840 -0.006 0.000 0.878 236 L CB -0.081 41.981 42.059 0.006 0.000 1.127 236 L HN 0.400 nan 8.230 nan 0.000 0.492 237 N N 1.260 119.942 118.700 -0.030 0.000 2.815 237 N HA -0.165 4.575 4.740 -0.000 0.000 0.248 237 N C -0.486 174.974 175.510 -0.083 0.000 1.110 237 N CA 1.075 54.097 53.050 -0.046 0.000 0.699 237 N CB -1.978 36.481 38.487 -0.048 0.000 1.040 237 N HN 1.001 nan 8.380 nan 0.000 0.555 238 T N -4.203 110.309 114.554 -0.070 0.000 2.900 238 T HA 0.456 4.806 4.350 -0.000 0.000 0.303 238 T C -0.419 174.288 174.700 0.011 0.000 1.142 238 T CA -0.820 61.219 62.100 -0.102 0.000 1.007 238 T CB 2.546 71.334 68.868 -0.133 0.000 1.156 238 T HN 0.241 nan 8.240 nan 0.000 0.490 239 H N 3.365 122.420 119.070 -0.024 0.000 2.683 239 H HA 0.340 4.896 4.556 -0.000 0.000 0.339 239 H C -1.271 174.106 175.328 0.082 0.000 1.081 239 H CA -1.456 54.615 56.048 0.039 0.000 1.432 239 H CB 1.251 31.051 29.762 0.064 0.000 1.462 239 H HN 0.371 nan 8.280 nan 0.000 0.557 240 P HA -0.189 nan 4.420 nan 0.000 0.222 240 P C 0.186 177.465 177.300 -0.035 0.000 1.142 240 P CA 1.411 64.400 63.100 -0.186 0.000 0.788 240 P CB 0.373 31.918 31.700 -0.258 0.000 0.767 241 E N -2.316 117.951 120.200 0.112 0.000 2.472 241 E HA -0.052 4.298 4.350 -0.000 0.000 0.196 241 E C 1.706 178.446 176.600 0.234 0.000 1.033 241 E CA -0.270 56.268 56.400 0.231 0.000 0.886 241 E CB -0.314 29.586 29.700 0.334 0.000 0.944 241 E HN 0.205 nan 8.360 nan 0.000 0.492 242 Y N 2.204 122.610 120.300 0.176 0.000 2.053 242 Y HA -0.354 4.196 4.550 -0.000 0.000 0.277 242 Y C 2.368 178.294 175.900 0.044 0.000 1.159 242 Y CA 2.128 60.285 58.100 0.096 0.000 1.125 242 Y CB -0.455 38.057 38.460 0.087 0.000 0.969 242 Y HN 0.026 nan 8.280 nan 0.000 0.492 243 A N 0.708 123.558 122.820 0.051 0.000 1.892 243 A HA -0.264 4.056 4.320 -0.000 0.000 0.218 243 A C 2.454 179.980 177.584 -0.096 0.000 1.188 243 A CA 2.096 54.102 52.037 -0.053 0.000 0.631 243 A CB -0.892 18.134 19.000 0.044 0.000 0.822 243 A HN 0.552 nan 8.150 nan 0.000 0.447 244 R N -0.530 119.947 120.500 -0.039 0.000 2.075 244 R HA -0.062 4.278 4.340 -0.000 0.000 0.232 244 R C 2.410 178.678 176.300 -0.053 0.000 1.126 244 R CA 1.404 57.487 56.100 -0.027 0.000 0.963 244 R CB -0.275 30.029 30.300 0.006 0.000 0.858 244 R HN 0.564 nan 8.270 nan 0.000 0.435 245 R N -0.239 120.217 120.500 -0.072 0.000 2.073 245 R HA -0.090 4.250 4.340 -0.000 0.000 0.234 245 R C 2.324 178.538 176.300 -0.144 0.000 1.134 245 R CA 1.407 57.456 56.100 -0.084 0.000 0.952 245 R CB -0.537 29.725 30.300 -0.063 0.000 0.850 245 R HN 0.082 nan 8.270 nan 0.000 0.433 246 V N 0.834 120.581 119.914 -0.278 0.000 2.407 246 V HA -0.204 3.916 4.120 -0.000 0.000 0.248 246 V C 2.134 178.120 176.094 -0.180 0.000 1.055 246 V CA 1.990 64.110 62.300 -0.301 0.000 1.049 246 V CB -0.273 31.213 31.823 -0.561 0.000 0.662 246 V HN 0.439 nan 8.190 nan 0.000 0.455 247 A N -0.680 122.058 122.820 -0.137 0.000 1.898 247 A HA -0.207 4.113 4.320 -0.000 0.000 0.216 247 A C 1.981 179.563 177.584 -0.005 0.000 1.181 247 A CA 1.855 53.858 52.037 -0.057 0.000 0.620 247 A CB -0.641 18.350 19.000 -0.014 0.000 0.819 247 A HN 0.591 nan 8.150 nan 0.000 0.442 248 D N -0.598 119.792 120.400 -0.018 0.000 2.117 248 D HA -0.137 4.503 4.640 -0.000 0.000 0.197 248 D C 1.931 178.233 176.300 0.003 0.000 0.987 248 D CA 1.632 55.635 54.000 0.005 0.000 0.829 248 D CB -0.267 40.530 40.800 -0.005 0.000 0.961 248 D HN 0.543 nan 8.370 nan 0.000 0.460 249 E N 0.828 121.010 120.200 -0.030 0.000 2.058 249 E HA -0.116 4.234 4.350 -0.000 0.000 0.194 249 E C 2.244 178.836 176.600 -0.015 0.000 0.997 249 E CA 0.777 57.160 56.400 -0.029 0.000 0.801 249 E CB -0.496 29.170 29.700 -0.057 0.000 0.746 249 E HN 0.232 nan 8.360 nan 0.000 0.450 250 L N -0.214 120.987 121.223 -0.036 0.000 2.083 250 L HA -0.164 4.176 4.340 -0.000 0.000 0.209 250 L C 2.459 179.399 176.870 0.118 0.000 1.083 250 L CA 1.136 55.954 54.840 -0.037 0.000 0.752 250 L CB -0.511 41.428 42.059 -0.199 0.000 0.899 250 L HN 0.256 nan 8.230 nan 0.000 0.433 251 A N -0.543 122.376 122.820 0.165 0.000 1.902 251 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 251 A C 2.291 179.942 177.584 0.113 0.000 1.181 251 A CA 1.773 53.934 52.037 0.207 0.000 0.623 251 A CB -0.773 18.309 19.000 0.137 0.000 0.818 251 A HN 0.196 nan 8.150 nan 0.000 0.443 252 V N 1.128 121.081 119.914 0.066 0.000 2.261 252 V HA -0.280 3.840 4.120 -0.000 0.000 0.246 252 V C 2.520 178.637 176.094 0.039 0.000 1.047 252 V CA 2.086 64.410 62.300 0.039 0.000 1.015 252 V CB -0.918 30.918 31.823 0.021 0.000 0.642 252 V HN 0.774 nan 8.190 nan 0.000 0.446 253 I N -0.052 120.541 120.570 0.038 0.000 2.830 253 I HA -0.088 4.082 4.170 -0.000 0.000 0.263 253 I C 2.056 178.203 176.117 0.050 0.000 1.230 253 I CA 1.806 63.124 61.300 0.031 0.000 1.480 253 I CB -0.664 37.344 38.000 0.013 0.000 1.095 253 I HN 0.485 nan 8.210 nan 0.000 0.455 254 T N -3.720 110.888 114.554 0.091 0.000 3.001 254 T HA 0.163 4.513 4.350 -0.000 0.000 0.251 254 T C 1.064 175.817 174.700 0.088 0.000 1.040 254 T CA 0.540 62.712 62.100 0.119 0.000 0.985 254 T CB -0.546 68.470 68.868 0.247 0.000 1.011 254 T HN 0.488 nan 8.240 nan 0.000 0.509 255 C N 1.439 120.780 119.300 0.068 0.000 4.417 255 C HA 0.083 4.543 4.460 -0.000 0.000 0.284 255 C C 1.050 176.036 174.990 -0.007 0.000 1.379 255 C CA -0.201 58.834 59.018 0.028 0.000 1.918 255 C CB -2.858 24.891 27.740 0.016 0.000 1.280 255 C HN 1.047 nan 8.230 nan 0.000 0.783 256 A N 0.510 123.320 122.820 -0.017 0.000 2.337 256 A HA 0.811 5.131 4.320 -0.000 0.000 0.331 256 A C -1.747 175.699 177.584 -0.229 0.000 1.137 256 A CA -1.320 50.602 52.037 -0.192 0.000 0.807 256 A CB 0.999 19.765 19.000 -0.390 0.000 1.250 256 A HN 0.232 nan 8.150 nan 0.000 0.468 257 P HA 0.154 nan 4.420 nan 0.000 0.232 257 P C -0.866 176.326 177.300 -0.179 0.000 1.738 257 P CA 0.100 63.098 63.100 -0.169 0.000 0.948 257 P CB -0.709 30.914 31.700 -0.128 0.000 1.943 258 F N 1.412 121.363 119.950 0.002 0.000 2.471 258 F HA 0.187 4.714 4.527 -0.000 0.000 0.353 258 F C 1.384 177.187 175.800 0.005 0.000 1.113 258 F CA -0.022 57.982 58.000 0.006 0.000 1.262 258 F CB 0.751 39.751 39.000 -0.000 0.000 1.146 258 F HN 0.024 nan 8.300 nan 0.000 0.578 259 V N -0.784 119.269 119.914 0.231 0.000 3.078 259 V HA 0.594 4.714 4.120 -0.000 0.000 0.311 259 V C -0.373 175.786 176.094 0.109 0.000 1.138 259 V CA -0.918 61.458 62.300 0.126 0.000 1.007 259 V CB 1.430 33.303 31.823 0.084 0.000 1.045 259 V HN 0.677 nan 8.190 nan 0.000 0.432 260 T N 2.353 116.943 114.554 0.059 0.000 2.851 260 T HA 0.584 4.934 4.350 -0.000 0.000 0.298 260 T C 0.465 175.194 174.700 0.048 0.000 0.977 260 T CA 0.480 62.601 62.100 0.035 0.000 1.126 260 T CB 0.354 69.227 68.868 0.008 0.000 0.916 260 T HN 1.761 nan 8.240 nan 0.000 0.529 261 A N 7.204 130.052 122.820 0.047 0.000 2.548 261 A HA 0.318 4.638 4.320 -0.000 0.000 0.247 261 A C -1.183 176.422 177.584 0.036 0.000 1.067 261 A CA -0.994 51.078 52.037 0.059 0.000 0.757 261 A CB -0.124 18.908 19.000 0.053 0.000 0.996 261 A HN 0.709 nan 8.150 nan 0.000 0.504 262 P HA -0.095 nan 4.420 nan 0.000 0.218 262 P C 0.293 177.620 177.300 0.044 0.000 1.148 262 P CA 1.180 64.304 63.100 0.039 0.000 0.822 262 P CB 0.225 31.947 31.700 0.037 0.000 0.784 263 N N -0.474 118.258 118.700 0.053 0.000 2.573 263 N HA 0.060 4.800 4.740 -0.000 0.000 0.262 263 N C 0.563 176.076 175.510 0.005 0.000 1.029 263 N CA -0.287 52.809 53.050 0.077 0.000 0.882 263 N CB 0.786 39.359 38.487 0.142 0.000 1.204 263 N HN -0.268 nan 8.380 nan 0.000 0.519 264 K N 2.391 122.691 120.400 -0.167 0.000 2.283 264 K HA -0.015 4.305 4.320 -0.000 0.000 0.202 264 K C 1.099 177.495 176.600 -0.340 0.000 1.048 264 K CA 0.912 57.022 56.287 -0.295 0.000 0.948 264 K CB -0.070 32.174 32.500 -0.426 0.000 0.742 264 K HN 0.481 nan 8.250 nan 0.000 0.458 265 F N 1.595 121.571 119.950 0.044 0.000 2.163 265 F HA -0.057 4.470 4.527 0.000 0.000 0.297 265 F C 2.524 178.356 175.800 0.053 0.000 1.094 265 F CA 0.886 58.915 58.000 0.047 0.000 1.290 265 F CB -0.438 38.590 39.000 0.046 0.000 1.017 265 F HN 0.084 nan 8.300 nan 0.000 0.483 266 E N 1.194 121.519 120.200 0.208 0.000 2.077 266 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 266 E C 2.301 178.968 176.600 0.111 0.000 0.989 266 E CA 1.202 57.695 56.400 0.156 0.000 0.800 266 E CB -0.235 29.557 29.700 0.153 0.000 0.746 266 E HN 0.301 nan 8.360 nan 0.000 0.452 267 A N 0.792 123.653 122.820 0.068 0.000 1.902 267 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 267 A C 2.239 179.816 177.584 -0.012 0.000 1.181 267 A CA 1.272 53.319 52.037 0.017 0.000 0.623 267 A CB -0.493 18.491 19.000 -0.026 0.000 0.818 267 A HN 0.283 nan 8.150 nan 0.000 0.443 268 L N -1.025 120.197 121.223 -0.001 0.000 2.162 268 L HA 0.108 4.448 4.340 -0.000 0.000 0.205 268 L C 2.766 179.671 176.870 0.059 0.000 1.086 268 L CA 1.588 56.437 54.840 0.015 0.000 0.778 268 L CB -0.484 41.580 42.059 0.008 0.000 0.928 268 L HN 0.346 nan 8.230 nan 0.000 0.446 269 A N -1.721 121.153 122.820 0.091 0.000 2.167 269 A HA 0.118 4.438 4.320 -0.000 0.000 0.214 269 A C 1.140 178.772 177.584 0.080 0.000 1.151 269 A CA 1.146 53.244 52.037 0.101 0.000 0.735 269 A CB -0.706 18.371 19.000 0.129 0.000 0.802 269 A HN 0.421 nan 8.150 nan 0.000 0.467 270 T N -6.241 108.355 114.554 0.070 0.000 2.838 270 T HA 0.413 4.763 4.350 -0.000 0.000 0.292 270 T C -0.321 174.405 174.700 0.044 0.000 1.113 270 T CA -0.220 61.916 62.100 0.059 0.000 1.008 270 T CB 1.497 70.407 68.868 0.069 0.000 1.259 270 T HN 0.090 nan 8.240 nan 0.000 0.520 271 C N 1.240 120.561 119.300 0.036 0.000 2.969 271 C HA 0.367 4.827 4.460 -0.000 0.000 0.260 271 C C 1.526 176.515 174.990 -0.003 0.000 1.618 271 C CA -0.517 58.514 59.018 0.022 0.000 1.774 271 C CB -1.391 26.368 27.740 0.031 0.000 3.063 271 C HN 0.927 nan 8.230 nan 0.000 0.506 272 D N 2.275 122.681 120.400 0.010 0.000 2.133 272 D HA -0.152 4.488 4.640 -0.000 0.000 0.195 272 D C 2.183 178.440 176.300 -0.070 0.000 0.997 272 D CA 1.908 55.922 54.000 0.023 0.000 0.840 272 D CB -0.126 40.751 40.800 0.129 0.000 0.947 272 D HN 0.539 nan 8.370 nan 0.000 0.452 273 A N 0.369 122.987 122.820 -0.337 0.000 1.940 273 A HA -0.134 4.186 4.320 -0.000 0.000 0.219 273 A C 2.376 179.802 177.584 -0.263 0.000 1.176 273 A CA 1.010 52.712 52.037 -0.559 0.000 0.631 273 A CB -0.667 17.818 19.000 -0.859 0.000 0.814 273 A HN 0.245 nan 8.150 nan 0.000 0.446 274 L N -0.770 120.319 121.223 -0.222 0.000 2.179 274 L HA -0.087 4.253 4.340 -0.000 0.000 0.208 274 L C 2.445 179.341 176.870 0.044 0.000 1.096 274 L CA 0.596 55.296 54.840 -0.234 0.000 0.779 274 L CB -0.464 41.393 42.059 -0.336 0.000 0.922 274 L HN 0.229 nan 8.230 nan 0.000 0.443 275 V N -0.436 119.503 119.914 0.041 0.000 2.343 275 V HA -0.257 3.863 4.120 -0.000 0.000 0.247 275 V C 2.572 178.749 176.094 0.137 0.000 1.051 275 V CA 1.529 63.886 62.300 0.096 0.000 1.036 275 V CB -0.459 31.396 31.823 0.053 0.000 0.654 275 V HN 0.471 nan 8.190 nan 0.000 0.451 276 Q N -0.150 119.713 119.800 0.104 0.000 2.049 276 Q HA -0.080 4.260 4.340 -0.000 0.000 0.198 276 Q C 2.490 178.579 176.000 0.148 0.000 0.971 276 Q CA 1.813 57.687 55.803 0.118 0.000 0.833 276 Q CB -0.625 28.188 28.738 0.125 0.000 0.896 276 Q HN 0.626 nan 8.270 nan 0.000 0.434 277 A N 0.282 123.198 122.820 0.161 0.000 1.940 277 A HA -0.231 4.089 4.320 -0.000 0.000 0.219 277 A C 1.833 179.601 177.584 0.308 0.000 1.176 277 A CA 1.943 54.117 52.037 0.229 0.000 0.631 277 A CB -0.768 18.371 19.000 0.232 0.000 0.814 277 A HN 0.439 nan 8.150 nan 0.000 0.446 278 H N -0.747 118.516 119.070 0.322 0.000 2.495 278 H HA 0.094 4.650 4.556 -0.000 0.000 0.287 278 H C 2.095 177.460 175.328 0.061 0.000 1.033 278 H CA 1.146 57.303 56.048 0.182 0.000 1.307 278 H CB -0.221 29.679 29.762 0.230 0.000 1.401 278 H HN 0.390 nan 8.280 nan 0.000 0.555 279 G N -0.204 108.674 108.800 0.131 0.000 2.422 279 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.218 279 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.218 279 G C 1.821 176.701 174.900 -0.034 0.000 1.146 279 G CA 0.625 45.755 45.100 0.049 0.000 0.769 279 G HN 0.520 nan 8.290 nan 0.000 0.547 280 A N 0.301 123.109 122.820 -0.020 0.000 1.968 280 A HA 0.218 4.538 4.320 -0.000 0.000 0.217 280 A C 2.390 179.906 177.584 -0.112 0.000 1.169 280 A CA 0.888 52.900 52.037 -0.042 0.000 0.638 280 A CB -0.243 18.780 19.000 0.038 0.000 0.812 280 A HN 0.357 nan 8.150 nan 0.000 0.446 281 L N -0.344 120.749 121.223 -0.217 0.000 2.072 281 L HA -0.185 4.155 4.340 -0.000 0.000 0.205 281 L C 2.558 179.242 176.870 -0.310 0.000 1.079 281 L CA 1.818 56.452 54.840 -0.343 0.000 0.752 281 L CB -0.470 41.202 42.059 -0.645 0.000 0.906 281 L HN 0.500 nan 8.230 nan 0.000 0.436 282 K N 0.559 120.776 120.400 -0.304 0.000 2.283 282 K HA -0.039 4.281 4.320 -0.000 0.000 0.202 282 K C 1.865 178.395 176.600 -0.117 0.000 1.048 282 K CA 1.329 57.516 56.287 -0.166 0.000 0.948 282 K CB -1.073 31.386 32.500 -0.069 0.000 0.742 282 K HN 0.129 nan 8.250 nan 0.000 0.458 283 G N 1.440 110.169 108.800 -0.119 0.000 2.404 283 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.215 283 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.215 283 G C 1.410 176.256 174.900 -0.089 0.000 1.174 283 G CA 0.793 45.831 45.100 -0.103 0.000 0.780 283 G HN 0.286 nan 8.290 nan 0.000 0.537 284 L N 1.465 122.630 121.223 -0.096 0.000 2.083 284 L HA 0.176 4.516 4.340 -0.000 0.000 0.209 284 L C 2.982 179.791 176.870 -0.102 0.000 1.083 284 L CA 2.056 56.845 54.840 -0.085 0.000 0.752 284 L CB -0.742 41.262 42.059 -0.092 0.000 0.899 284 L HN 0.228 nan 8.230 nan 0.000 0.433 285 A N -0.522 122.228 122.820 -0.118 0.000 1.933 285 A HA -0.070 4.250 4.320 -0.000 0.000 0.218 285 A C 2.444 179.969 177.584 -0.099 0.000 1.175 285 A CA 1.687 53.656 52.037 -0.113 0.000 0.628 285 A CB -1.057 17.879 19.000 -0.107 0.000 0.814 285 A HN 0.573 nan 8.150 nan 0.000 0.444 286 A N -0.559 122.210 122.820 -0.084 0.000 1.898 286 A HA -0.024 4.296 4.320 -0.000 0.000 0.216 286 A C 2.439 179.977 177.584 -0.077 0.000 1.181 286 A CA 1.948 53.942 52.037 -0.071 0.000 0.620 286 A CB -0.770 18.194 19.000 -0.059 0.000 0.819 286 A HN 0.451 nan 8.150 nan 0.000 0.442 287 S N 0.102 115.756 115.700 -0.076 0.000 2.348 287 S HA -0.090 4.380 4.470 -0.000 0.000 0.221 287 S C 1.841 176.365 174.600 -0.128 0.000 1.033 287 S CA 1.442 59.598 58.200 -0.073 0.000 1.010 287 S CB -0.506 62.669 63.200 -0.043 0.000 0.891 287 S HN 0.499 nan 8.310 nan 0.000 0.442 288 L N 0.622 121.754 121.223 -0.153 0.000 2.079 288 L HA -0.147 4.193 4.340 -0.000 0.000 0.210 288 L C 2.568 179.278 176.870 -0.266 0.000 1.081 288 L CA 1.274 55.972 54.840 -0.237 0.000 0.752 288 L CB -0.462 41.461 42.059 -0.227 0.000 0.896 288 L HN 0.351 nan 8.230 nan 0.000 0.433 289 M N -0.171 119.319 119.600 -0.183 0.000 2.108 289 M HA -0.230 4.250 4.480 -0.000 0.000 0.261 289 M C 2.315 178.530 176.300 -0.142 0.000 1.066 289 M CA 1.793 57.004 55.300 -0.149 0.000 1.107 289 M CB -0.253 32.291 32.600 -0.093 0.000 1.356 289 M HN -0.067 nan 8.290 nan 0.000 0.406 290 K N 0.556 120.878 120.400 -0.131 0.000 2.026 290 K HA -0.120 4.200 4.320 -0.000 0.000 0.208 290 K C 1.888 178.368 176.600 -0.201 0.000 1.048 290 K CA 1.990 58.213 56.287 -0.105 0.000 0.929 290 K CB -0.614 31.846 32.500 -0.066 0.000 0.713 290 K HN 0.527 nan 8.250 nan 0.000 0.439 291 I N 0.973 121.322 120.570 -0.368 0.000 2.163 291 I HA -0.286 3.884 4.170 -0.000 0.000 0.243 291 I C 2.502 178.263 176.117 -0.594 0.000 1.085 291 I CA 1.335 62.188 61.300 -0.745 0.000 1.347 291 I CB -0.391 37.151 38.000 -0.763 0.000 1.044 291 I HN 0.146 nan 8.210 nan 0.000 0.408 292 A N 0.745 123.290 122.820 -0.458 0.000 1.933 292 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 292 A C 2.101 179.611 177.584 -0.123 0.000 1.175 292 A CA 1.788 53.619 52.037 -0.343 0.000 0.628 292 A CB -0.621 18.146 19.000 -0.387 0.000 0.814 292 A HN 0.409 nan 8.150 nan 0.000 0.444 293 N N 0.322 118.984 118.700 -0.064 0.000 2.142 293 N HA -0.129 4.611 4.740 -0.000 0.000 0.186 293 N C 1.188 176.845 175.510 0.246 0.000 1.023 293 N CA 1.519 54.640 53.050 0.118 0.000 0.852 293 N CB -0.443 38.149 38.487 0.175 0.000 0.998 293 N HN 0.400 nan 8.380 nan 0.000 0.424 294 D N 0.502 120.986 120.400 0.141 0.000 2.104 294 D HA -0.100 4.540 4.640 -0.000 0.000 0.194 294 D C 2.104 178.567 176.300 0.272 0.000 0.994 294 D CA 0.572 54.720 54.000 0.247 0.000 0.830 294 D CB -0.322 40.657 40.800 0.298 0.000 0.959 294 D HN -0.023 nan 8.370 nan 0.000 0.452 295 V N 1.584 121.577 119.914 0.131 0.000 2.255 295 V HA -0.283 3.837 4.120 -0.000 0.000 0.247 295 V C 2.508 178.690 176.094 0.146 0.000 1.051 295 V CA 2.367 64.773 62.300 0.177 0.000 1.018 295 V CB -0.591 31.325 31.823 0.155 0.000 0.641 295 V HN 0.307 nan 8.190 nan 0.000 0.445 296 R N -1.131 119.412 120.500 0.072 0.000 2.115 296 R HA -0.177 4.163 4.340 -0.000 0.000 0.230 296 R C 2.056 178.302 176.300 -0.091 0.000 1.111 296 R CA 1.860 57.934 56.100 -0.044 0.000 0.976 296 R CB -0.717 29.494 30.300 -0.148 0.000 0.870 296 R HN 0.536 nan 8.270 nan 0.000 0.445 297 W N 1.345 122.676 121.300 0.052 0.000 2.409 297 W HA 0.132 4.792 4.660 -0.000 0.000 0.299 297 W C 2.033 178.589 176.519 0.060 0.000 1.203 297 W CA 0.411 57.786 57.345 0.050 0.000 1.298 297 W CB -0.076 29.413 29.460 0.048 0.000 1.127 297 W HN -0.058 nan 8.180 nan 0.000 0.528 298 L N -0.232 121.171 121.223 0.301 0.000 2.131 298 L HA -0.131 4.209 4.340 -0.000 0.000 0.210 298 L C 2.322 179.275 176.870 0.139 0.000 1.092 298 L CA 1.180 56.148 54.840 0.214 0.000 0.759 298 L CB -0.828 41.367 42.059 0.227 0.000 0.903 298 L HN -0.013 nan 8.230 nan 0.000 0.435 299 A N -0.594 122.291 122.820 0.108 0.000 2.275 299 A HA 0.082 4.402 4.320 -0.000 0.000 0.212 299 A C 1.186 178.784 177.584 0.024 0.000 1.201 299 A CA 0.132 52.203 52.037 0.056 0.000 0.843 299 A CB -0.300 18.726 19.000 0.044 0.000 0.873 299 A HN 0.393 nan 8.150 nan 0.000 0.492 300 S N -0.799 114.916 115.700 0.026 0.000 2.560 300 S HA 0.549 5.019 4.470 -0.000 0.000 0.284 300 S C 0.629 175.239 174.600 0.017 0.000 1.327 300 S CA 0.282 58.474 58.200 -0.013 0.000 1.055 300 S CB 1.109 64.298 63.200 -0.019 0.000 0.868 300 S HN 1.568 nan 8.310 nan 0.000 0.506 301 G N 1.968 110.766 108.800 -0.003 0.000 2.553 301 G HA2 0.223 4.183 3.960 -0.000 0.000 0.106 301 G HA3 0.223 4.183 3.960 -0.000 0.000 0.106 301 G C -2.211 172.688 174.900 -0.003 0.000 1.126 301 G CA -0.077 45.029 45.100 0.009 0.000 1.075 301 G HN 0.604 nan 8.290 nan 0.000 0.472 302 P HA 0.117 nan 4.420 nan 0.000 0.225 302 P C 1.070 178.377 177.300 0.011 0.000 1.156 302 P CA 0.762 63.865 63.100 0.005 0.000 0.787 302 P CB 0.246 31.947 31.700 0.001 0.000 0.802 303 R N -0.754 119.753 120.500 0.012 0.000 2.221 303 R HA 0.178 4.518 4.340 -0.000 0.000 0.195 303 R C 1.330 177.644 176.300 0.023 0.000 0.956 303 R CA 0.569 56.678 56.100 0.016 0.000 1.064 303 R CB -0.575 29.732 30.300 0.012 0.000 1.049 303 R HN 0.184 nan 8.270 nan 0.000 0.534 304 C N 1.169 120.485 119.300 0.026 0.000 2.563 304 C HA 0.513 4.973 4.460 -0.000 0.000 0.307 304 C C 1.196 176.218 174.990 0.054 0.000 1.371 304 C CA -0.782 58.258 59.018 0.036 0.000 1.772 304 C CB -0.444 27.314 27.740 0.031 0.000 2.283 304 C HN 0.491 nan 8.230 nan 0.000 0.570 305 G N 0.234 109.069 108.800 0.060 0.000 3.286 305 G HA2 0.551 4.511 3.960 -0.000 0.000 0.166 305 G HA3 0.551 4.511 3.960 -0.000 0.000 0.166 305 G C 0.522 175.483 174.900 0.101 0.000 1.155 305 G CA -0.196 44.962 45.100 0.096 0.000 0.871 305 G HN 0.139 nan 8.290 nan 0.000 0.637 306 I N 0.339 120.984 120.570 0.125 0.000 2.685 306 I HA 0.203 4.373 4.170 -0.000 0.000 0.251 306 I C 2.056 178.219 176.117 0.076 0.000 1.102 306 I CA 0.899 62.266 61.300 0.111 0.000 1.442 306 I CB -0.058 38.037 38.000 0.159 0.000 1.194 306 I HN 0.693 nan 8.210 nan 0.000 0.448 307 G N 1.958 110.802 108.800 0.072 0.000 2.305 307 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.287 307 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.287 307 G C 0.587 175.506 174.900 0.032 0.000 1.036 307 G CA 0.663 45.790 45.100 0.045 0.000 0.887 307 G HN 0.502 nan 8.290 nan 0.000 0.505 308 E N -0.940 119.285 120.200 0.042 0.000 2.216 308 E HA 0.127 4.477 4.350 -0.000 0.000 0.192 308 E C 1.690 178.284 176.600 -0.010 0.000 0.988 308 E CA 1.124 57.534 56.400 0.017 0.000 0.834 308 E CB 0.133 29.850 29.700 0.029 0.000 0.772 308 E HN 0.923 nan 8.360 nan 0.000 0.479 309 I N -2.691 117.887 120.570 0.014 0.000 3.206 309 I HA 0.472 4.642 4.170 -0.000 0.000 0.313 309 I C -0.572 175.550 176.117 0.008 0.000 1.103 309 I CA -1.194 60.102 61.300 -0.006 0.000 0.985 309 I CB 2.308 40.328 38.000 0.034 0.000 1.240 309 I HN -0.262 nan 8.210 nan 0.000 0.464 310 S N 2.420 118.121 115.700 0.002 0.000 2.548 310 S HA 0.837 5.307 4.470 -0.000 0.000 0.286 310 S C -0.622 173.989 174.600 0.019 0.000 1.098 310 S CA -0.705 57.500 58.200 0.008 0.000 0.930 310 S CB 1.787 64.985 63.200 -0.003 0.000 1.070 310 S HN 0.826 nan 8.310 nan 0.000 0.480 311 I N -1.452 119.127 120.570 0.016 0.000 2.785 311 I HA 0.686 4.856 4.170 -0.000 0.000 0.302 311 I C -2.701 173.418 176.117 0.004 0.000 1.069 311 I CA -2.864 58.443 61.300 0.011 0.000 1.045 311 I CB 1.753 39.758 38.000 0.008 0.000 1.236 311 I HN 0.389 nan 8.210 nan 0.000 0.429 312 P HA -0.004 nan 4.420 nan 0.000 0.265 312 P C -0.852 176.450 177.300 0.004 0.000 1.193 312 P CA 0.196 63.300 63.100 0.005 0.000 0.765 312 P CB 0.718 32.424 31.700 0.010 0.000 0.823 313 E N 2.941 123.143 120.200 0.003 0.000 2.130 313 E HA 0.068 4.418 4.350 -0.000 0.000 0.284 313 E C 0.250 176.849 176.600 -0.001 0.000 1.018 313 E CA -0.464 55.935 56.400 -0.002 0.000 0.817 313 E CB 0.349 30.047 29.700 -0.003 0.000 1.078 313 E HN 0.270 nan 8.360 nan 0.000 0.396 314 N N 3.220 121.915 118.700 -0.008 0.000 2.482 314 N HA 0.013 4.753 4.740 -0.000 0.000 0.179 314 N C -0.473 175.020 175.510 -0.027 0.000 1.039 314 N CA 0.410 53.450 53.050 -0.017 0.000 0.884 314 N CB 0.411 38.874 38.487 -0.039 0.000 1.113 314 N HN 0.457 nan 8.380 nan 0.000 0.440 315 E N 1.466 121.650 120.200 -0.028 0.000 2.248 315 E HA 0.334 4.684 4.350 -0.000 0.000 0.272 315 E C -2.175 174.415 176.600 -0.018 0.000 1.008 315 E CA -1.760 54.624 56.400 -0.027 0.000 0.856 315 E CB 0.697 30.379 29.700 -0.030 0.000 1.120 315 E HN 0.112 nan 8.360 nan 0.000 0.397 316 P HA 0.178 nan 4.420 nan 0.000 0.269 316 P C -0.309 176.984 177.300 -0.011 0.000 1.209 316 P CA -0.227 62.866 63.100 -0.011 0.000 0.776 316 P CB 0.946 32.640 31.700 -0.010 0.000 0.876 317 G N 0.217 109.012 108.800 -0.009 0.000 3.013 317 G HA2 0.448 4.408 3.960 -0.000 0.000 0.278 317 G HA3 0.448 4.408 3.960 -0.000 0.000 0.278 317 G C -1.025 173.870 174.900 -0.007 0.000 1.353 317 G CA -0.550 44.544 45.100 -0.009 0.000 1.043 317 G HN 0.532 nan 8.290 nan 0.000 0.523 318 S N -0.897 114.799 115.700 -0.007 0.000 2.525 318 S HA 0.339 4.809 4.470 -0.000 0.000 0.278 318 S C 1.650 176.247 174.600 -0.005 0.000 1.234 318 S CA 0.165 58.362 58.200 -0.006 0.000 1.058 318 S CB 1.304 64.501 63.200 -0.006 0.000 0.983 318 S HN 0.617 nan 8.310 nan 0.000 0.495 319 S N 3.810 119.508 115.700 -0.004 0.000 2.374 319 S HA -0.106 4.364 4.470 -0.000 0.000 0.227 319 S C 1.597 176.195 174.600 -0.003 0.000 1.037 319 S CA 1.467 59.666 58.200 -0.003 0.000 1.024 319 S CB -0.448 62.751 63.200 -0.002 0.000 0.861 319 S HN 0.801 nan 8.310 nan 0.000 0.456 320 I N -0.075 120.493 120.570 -0.003 0.000 3.291 320 I HA 0.150 4.320 4.170 -0.000 0.000 0.279 320 I C 0.348 176.464 176.117 -0.003 0.000 1.294 320 I CA 0.757 62.056 61.300 -0.002 0.000 1.428 320 I CB 0.070 38.068 38.000 -0.002 0.000 1.070 320 I HN 0.299 nan 8.210 nan 0.000 0.478 321 M N 2.447 122.045 119.600 -0.004 0.000 3.062 321 M HA 0.310 4.790 4.480 -0.000 0.000 0.270 321 M C -2.418 173.879 176.300 -0.005 0.000 1.270 321 M CA -1.627 53.670 55.300 -0.004 0.000 0.702 321 M CB 0.755 33.351 32.600 -0.006 0.000 1.398 321 M HN -0.117 nan 8.290 nan 0.000 0.490 322 P HA 0.279 nan 4.420 nan 0.000 0.272 322 P C 0.785 178.082 177.300 -0.004 0.000 1.223 322 P CA 0.790 63.888 63.100 -0.004 0.000 0.784 322 P CB 1.331 33.029 31.700 -0.003 0.000 0.923 323 G N 1.965 110.762 108.800 -0.005 0.000 2.317 323 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.227 323 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.227 323 G C 0.350 175.245 174.900 -0.008 0.000 1.042 323 G CA 0.200 45.297 45.100 -0.005 0.000 0.623 323 G HN 0.711 nan 8.290 nan 0.000 0.509 324 K N 1.391 121.785 120.400 -0.010 0.000 2.237 324 K HA 0.486 4.806 4.320 -0.000 0.000 0.283 324 K C -0.182 176.407 176.600 -0.017 0.000 1.080 324 K CA -0.089 56.189 56.287 -0.015 0.000 0.965 324 K CB 0.261 32.752 32.500 -0.015 0.000 1.098 324 K HN 0.100 nan 8.250 nan 0.000 0.434 325 V N 5.417 125.319 119.914 -0.019 0.000 2.275 325 V HA 0.135 4.255 4.120 -0.000 0.000 0.272 325 V C -0.433 175.644 176.094 -0.028 0.000 1.028 325 V CA -1.170 61.118 62.300 -0.019 0.000 0.810 325 V CB 0.673 32.488 31.823 -0.013 0.000 1.043 325 V HN 0.710 nan 8.190 nan 0.000 0.453 326 N N 6.757 125.438 118.700 -0.032 0.000 2.483 326 N HA 0.180 4.920 4.740 -0.000 0.000 0.264 326 N C -2.003 173.485 175.510 -0.036 0.000 1.197 326 N CA -1.340 51.685 53.050 -0.042 0.000 0.927 326 N CB 1.081 39.544 38.487 -0.040 0.000 1.065 326 N HN 0.395 nan 8.380 nan 0.000 0.461 327 P HA 0.033 nan 4.420 nan 0.000 0.230 327 P C 0.799 178.094 177.300 -0.009 0.000 1.791 327 P CA -0.101 62.986 63.100 -0.022 0.000 1.020 327 P CB -0.530 31.145 31.700 -0.041 0.000 1.977 328 T N -1.675 112.874 114.554 -0.008 0.000 2.720 328 T HA -0.234 4.116 4.350 -0.000 0.000 0.268 328 T C 1.753 176.467 174.700 0.023 0.000 1.037 328 T CA 1.073 63.170 62.100 -0.005 0.000 1.144 328 T CB -0.553 68.304 68.868 -0.018 0.000 0.864 328 T HN 0.099 nan 8.240 nan 0.000 0.444 329 Q N 0.270 120.105 119.800 0.057 0.000 2.170 329 Q HA -0.012 4.328 4.340 -0.000 0.000 0.203 329 Q C 2.757 178.863 176.000 0.177 0.000 0.976 329 Q CA 1.254 57.135 55.803 0.130 0.000 0.858 329 Q CB -1.022 27.820 28.738 0.174 0.000 0.907 329 Q HN 0.659 nan 8.270 nan 0.000 0.433 330 C N 0.878 120.271 119.300 0.154 0.000 2.440 330 C HA -0.086 4.374 4.460 -0.000 0.000 0.278 330 C C 2.468 177.456 174.990 -0.003 0.000 1.295 330 C CA 0.475 59.546 59.018 0.089 0.000 1.738 330 C CB -0.651 27.130 27.740 0.068 0.000 1.987 330 C HN 0.552 nan 8.230 nan 0.000 0.492 331 E N 1.137 121.334 120.200 -0.004 0.000 2.072 331 E HA -0.119 4.231 4.350 -0.000 0.000 0.191 331 E C 2.370 178.958 176.600 -0.019 0.000 0.985 331 E CA 1.265 57.651 56.400 -0.024 0.000 0.801 331 E CB -0.249 29.434 29.700 -0.028 0.000 0.750 331 E HN 0.662 nan 8.360 nan 0.000 0.452 332 A N 1.260 124.078 122.820 -0.003 0.000 1.898 332 A HA -0.154 4.166 4.320 -0.000 0.000 0.216 332 A C 2.159 179.732 177.584 -0.019 0.000 1.181 332 A CA 0.942 52.977 52.037 -0.003 0.000 0.620 332 A CB -0.462 18.547 19.000 0.014 0.000 0.819 332 A HN 0.194 nan 8.150 nan 0.000 0.442 333 L N 0.500 121.704 121.223 -0.031 0.000 2.056 333 L HA -0.117 4.223 4.340 -0.000 0.000 0.207 333 L C 2.789 179.594 176.870 -0.109 0.000 1.078 333 L CA 2.859 57.642 54.840 -0.095 0.000 0.749 333 L CB -0.914 41.024 42.059 -0.202 0.000 0.901 333 L HN 0.586 nan 8.230 nan 0.000 0.433 334 T N -3.808 110.689 114.554 -0.094 0.000 2.867 334 T HA -0.201 4.149 4.350 -0.000 0.000 0.268 334 T C 1.911 176.579 174.700 -0.053 0.000 1.057 334 T CA 1.533 63.585 62.100 -0.079 0.000 1.136 334 T CB -0.448 68.385 68.868 -0.060 0.000 0.874 334 T HN 0.307 nan 8.240 nan 0.000 0.466 335 M N 1.165 120.741 119.600 -0.040 0.000 2.132 335 M HA 0.082 4.562 4.480 -0.000 0.000 0.263 335 M C 2.302 178.586 176.300 -0.027 0.000 1.065 335 M CA 1.517 56.802 55.300 -0.026 0.000 1.122 335 M CB -0.626 31.963 32.600 -0.017 0.000 1.365 335 M HN 0.384 nan 8.290 nan 0.000 0.411 336 L N -1.929 119.273 121.223 -0.036 0.000 2.201 336 L HA -0.042 4.298 4.340 -0.000 0.000 0.212 336 L C 2.192 179.033 176.870 -0.048 0.000 1.105 336 L CA 1.410 56.228 54.840 -0.037 0.000 0.775 336 L CB -1.579 40.456 42.059 -0.040 0.000 0.913 336 L HN 0.188 nan 8.230 nan 0.000 0.440 337 C N -0.576 118.687 119.300 -0.062 0.000 2.440 337 C HA -0.100 4.360 4.460 -0.000 0.000 0.278 337 C C 2.972 177.936 174.990 -0.044 0.000 1.295 337 C CA 0.808 59.785 59.018 -0.068 0.000 1.738 337 C CB -1.299 26.389 27.740 -0.088 0.000 1.987 337 C HN 0.809 nan 8.230 nan 0.000 0.492 338 C N -0.333 118.948 119.300 -0.031 0.000 2.425 338 C HA -0.116 4.344 4.460 -0.000 0.000 0.277 338 C C 2.750 177.737 174.990 -0.004 0.000 1.280 338 C CA 1.271 60.280 59.018 -0.015 0.000 1.744 338 C CB -1.354 26.381 27.740 -0.010 0.000 1.989 338 C HN 0.648 nan 8.230 nan 0.000 0.491 339 Q N 0.975 120.771 119.800 -0.006 0.000 2.079 339 Q HA -0.107 4.233 4.340 -0.000 0.000 0.200 339 Q C 2.102 178.112 176.000 0.016 0.000 0.974 339 Q CA 1.806 57.613 55.803 0.006 0.000 0.840 339 Q CB -0.392 28.346 28.738 -0.000 0.000 0.898 339 Q HN 0.478 nan 8.270 nan 0.000 0.430 340 V N 0.363 120.279 119.914 0.003 0.000 2.407 340 V HA -0.288 3.832 4.120 -0.000 0.000 0.248 340 V C 2.241 178.384 176.094 0.081 0.000 1.055 340 V CA 1.748 64.067 62.300 0.030 0.000 1.049 340 V CB -0.613 31.180 31.823 -0.050 0.000 0.662 340 V HN 0.437 nan 8.190 nan 0.000 0.455 341 M N 0.388 120.007 119.600 0.033 0.000 2.117 341 M HA -0.080 4.400 4.480 -0.000 0.000 0.262 341 M C 2.372 178.702 176.300 0.049 0.000 1.065 341 M CA 2.170 57.493 55.300 0.037 0.000 1.114 341 M CB -1.802 30.804 32.600 0.010 0.000 1.361 341 M HN 0.443 nan 8.290 nan 0.000 0.408 342 G N 0.517 109.340 108.800 0.039 0.000 2.408 342 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.217 342 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.217 342 G C 1.416 176.341 174.900 0.041 0.000 1.150 342 G CA 0.698 45.819 45.100 0.036 0.000 0.776 342 G HN 0.385 nan 8.290 nan 0.000 0.542 343 N N 0.830 119.559 118.700 0.048 0.000 2.149 343 N HA -0.088 4.652 4.740 -0.000 0.000 0.188 343 N C 1.776 177.242 175.510 -0.073 0.000 1.019 343 N CA 1.368 54.422 53.050 0.006 0.000 0.857 343 N CB -0.432 38.064 38.487 0.015 0.000 0.997 343 N HN 0.376 nan 8.380 nan 0.000 0.426 344 D N 0.030 120.450 120.400 0.034 0.000 2.123 344 D HA -0.084 4.556 4.640 -0.000 0.000 0.196 344 D C 1.814 178.117 176.300 0.006 0.000 0.992 344 D CA 0.670 54.694 54.000 0.039 0.000 0.833 344 D CB 0.090 41.022 40.800 0.218 0.000 0.954 344 D HN -0.048 nan 8.370 nan 0.000 0.455 345 V N 0.673 120.599 119.914 0.020 0.000 2.287 345 V HA -0.256 3.864 4.120 -0.000 0.000 0.248 345 V C 2.544 178.640 176.094 0.004 0.000 1.053 345 V CA 1.889 64.196 62.300 0.013 0.000 1.027 345 V CB -0.980 30.854 31.823 0.017 0.000 0.646 345 V HN 0.350 nan 8.190 nan 0.000 0.447 346 A N -0.242 122.586 122.820 0.014 0.000 1.908 346 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 346 A C 2.177 179.773 177.584 0.021 0.000 1.181 346 A CA 2.092 54.152 52.037 0.039 0.000 0.627 346 A CB -0.590 18.462 19.000 0.086 0.000 0.818 346 A HN 0.527 nan 8.150 nan 0.000 0.445 347 I N -0.033 120.524 120.570 -0.022 0.000 2.315 347 I HA -0.236 3.934 4.170 -0.000 0.000 0.248 347 I C 2.046 178.146 176.117 -0.028 0.000 1.117 347 I CA 1.013 62.294 61.300 -0.031 0.000 1.404 347 I CB -0.423 37.507 38.000 -0.118 0.000 1.071 347 I HN 0.301 nan 8.210 nan 0.000 0.419 348 N N 0.799 119.483 118.700 -0.026 0.000 2.120 348 N HA -0.136 4.604 4.740 -0.000 0.000 0.188 348 N C 1.891 177.359 175.510 -0.069 0.000 1.024 348 N CA 1.454 54.488 53.050 -0.027 0.000 0.852 348 N CB -0.274 38.207 38.487 -0.009 0.000 1.003 348 N HN 0.327 nan 8.380 nan 0.000 0.424 349 M N -0.057 119.495 119.600 -0.080 0.000 2.117 349 M HA -0.043 4.437 4.480 -0.000 0.000 0.262 349 M C 2.214 178.331 176.300 -0.305 0.000 1.065 349 M CA 1.664 56.877 55.300 -0.144 0.000 1.114 349 M CB -0.580 31.964 32.600 -0.094 0.000 1.361 349 M HN 0.184 nan 8.290 nan 0.000 0.408 350 G N -0.361 108.281 108.800 -0.265 0.000 2.408 350 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.217 350 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.217 350 G C 1.498 176.212 174.900 -0.309 0.000 1.150 350 G CA 0.870 45.708 45.100 -0.436 0.000 0.776 350 G HN 0.570 nan 8.290 nan 0.000 0.542 351 G N 0.666 109.384 108.800 -0.137 0.000 2.443 351 G HA2 0.160 4.120 3.960 -0.000 0.000 0.219 351 G HA3 0.160 4.120 3.960 -0.000 0.000 0.219 351 G C 1.727 176.571 174.900 -0.093 0.000 1.131 351 G CA 1.206 46.264 45.100 -0.071 0.000 0.775 351 G HN 0.620 nan 8.290 nan 0.000 0.547 352 A N 0.132 122.867 122.820 -0.142 0.000 2.218 352 A HA 0.395 4.715 4.320 -0.000 0.000 0.209 352 A C 1.982 179.469 177.584 -0.162 0.000 1.168 352 A CA 0.987 52.952 52.037 -0.120 0.000 0.804 352 A CB 0.145 19.083 19.000 -0.103 0.000 0.834 352 A HN 0.176 nan 8.150 nan 0.000 0.482 353 S N 0.389 115.923 115.700 -0.278 0.000 2.582 353 S HA 0.302 4.772 4.470 -0.000 0.000 0.234 353 S C 0.999 175.559 174.600 -0.066 0.000 0.961 353 S CA 0.060 58.086 58.200 -0.289 0.000 0.953 353 S CB 0.112 62.852 63.200 -0.767 0.000 0.800 353 S HN 0.657 nan 8.310 nan 0.000 0.471 354 G N 1.668 110.454 108.800 -0.024 0.000 2.544 354 G HA2 0.399 4.359 3.960 -0.000 0.000 0.242 354 G HA3 0.399 4.359 3.960 -0.000 0.000 0.242 354 G C -0.492 174.390 174.900 -0.029 0.000 1.247 354 G CA -0.456 44.672 45.100 0.048 0.000 0.840 354 G HN 0.411 nan 8.290 nan 0.000 0.578 355 N N 0.053 118.733 118.700 -0.033 0.000 2.352 355 N HA 0.523 5.263 4.740 -0.000 0.000 0.291 355 N C -0.204 175.230 175.510 -0.128 0.000 1.040 355 N CA -0.655 52.239 53.050 -0.259 0.000 0.864 355 N CB 1.768 40.108 38.487 -0.244 0.000 1.440 355 N HN 0.429 nan 8.380 nan 0.000 0.483 356 F N 0.303 120.287 119.950 0.057 0.000 2.640 356 F HA -0.379 4.148 4.527 -0.000 0.000 0.227 356 F C 1.716 177.560 175.800 0.072 0.000 1.481 356 F CA 1.271 59.303 58.000 0.054 0.000 1.964 356 F CB -0.861 38.166 39.000 0.045 0.000 0.564 356 F HN 0.450 nan 8.300 nan 0.000 0.224 357 E N 0.509 120.903 120.200 0.323 0.000 2.481 357 E HA 0.331 4.681 4.350 -0.000 0.000 0.195 357 E C -0.241 176.459 176.600 0.166 0.000 1.047 357 E CA 0.569 57.103 56.400 0.222 0.000 0.867 357 E CB 0.134 29.951 29.700 0.195 0.000 0.858 357 E HN 0.320 nan 8.360 nan 0.000 0.513 358 L N 0.299 121.613 121.223 0.152 0.000 2.526 358 L HA 0.361 4.701 4.340 -0.000 0.000 0.263 358 L C -1.570 175.366 176.870 0.110 0.000 0.943 358 L CA -0.568 54.340 54.840 0.112 0.000 0.859 358 L CB 1.849 43.962 42.059 0.091 0.000 1.313 358 L HN -0.195 nan 8.230 nan 0.000 0.406 359 N N 3.448 122.212 118.700 0.107 0.000 2.444 359 N HA 0.300 5.040 4.740 -0.000 0.000 0.271 359 N C -0.292 175.304 175.510 0.144 0.000 1.069 359 N CA -0.083 53.054 53.050 0.145 0.000 0.965 359 N CB 1.672 40.239 38.487 0.133 0.000 1.092 359 N HN 0.551 nan 8.380 nan 0.000 0.476 360 V N 1.883 121.898 119.914 0.168 0.000 2.852 360 V HA 0.455 4.575 4.120 -0.000 0.000 0.359 360 V C -0.371 175.632 176.094 -0.152 0.000 1.244 360 V CA -0.342 61.957 62.300 -0.002 0.000 1.371 360 V CB -1.341 30.427 31.823 -0.092 0.000 1.491 360 V HN 0.444 nan 8.190 nan 0.000 0.603 361 F N -0.231 119.731 119.950 0.020 0.000 2.775 361 F HA 0.479 5.006 4.527 -0.000 0.000 0.313 361 F C 1.926 177.755 175.800 0.049 0.000 1.121 361 F CA -0.596 57.426 58.000 0.037 0.000 1.206 361 F CB 0.468 39.497 39.000 0.047 0.000 1.052 361 F HN 0.074 nan 8.300 nan 0.000 0.524 362 R N 0.768 121.371 120.500 0.172 0.000 2.083 362 R HA -0.151 4.189 4.340 -0.000 0.000 0.237 362 R C -0.688 175.755 176.300 0.238 0.000 1.137 362 R CA 1.891 58.116 56.100 0.209 0.000 0.951 362 R CB -1.712 28.755 30.300 0.278 0.000 0.851 362 R HN 0.187 nan 8.270 nan 0.000 0.434 363 P HA -0.199 nan 4.420 nan 0.000 0.216 363 P C 1.349 178.646 177.300 -0.006 0.000 1.150 363 P CA 1.163 64.290 63.100 0.045 0.000 0.837 363 P CB -0.057 31.512 31.700 -0.218 0.000 0.786 364 M N -0.586 119.027 119.600 0.022 0.000 2.200 364 M HA -0.085 4.395 4.480 -0.000 0.000 0.265 364 M C 1.712 178.129 176.300 0.194 0.000 1.066 364 M CA 1.772 57.140 55.300 0.114 0.000 1.127 364 M CB -0.943 31.843 32.600 0.310 0.000 1.379 364 M HN -0.199 nan 8.290 nan 0.000 0.420 365 V N 0.758 120.778 119.914 0.177 0.000 2.307 365 V HA -0.248 3.872 4.120 -0.000 0.000 0.245 365 V C 2.437 178.615 176.094 0.139 0.000 1.045 365 V CA 1.538 63.923 62.300 0.141 0.000 1.024 365 V CB -0.749 31.146 31.823 0.119 0.000 0.651 365 V HN 0.436 nan 8.190 nan 0.000 0.449 366 I N -0.374 120.275 120.570 0.133 0.000 2.439 366 I HA -0.182 3.988 4.170 -0.000 0.000 0.251 366 I C 2.323 178.521 176.117 0.134 0.000 1.139 366 I CA 1.685 63.052 61.300 0.113 0.000 1.438 366 I CB -0.503 37.516 38.000 0.031 0.000 1.085 366 I HN 0.513 nan 8.210 nan 0.000 0.427 367 H N 0.414 119.502 119.070 0.030 0.000 2.321 367 H HA -0.140 4.416 4.556 -0.000 0.000 0.300 367 H C 1.975 177.331 175.328 0.047 0.000 1.087 367 H CA 2.573 58.617 56.048 -0.006 0.000 1.319 367 H CB -0.311 29.384 29.762 -0.111 0.000 1.379 367 H HN 0.371 nan 8.280 nan 0.000 0.501 368 N N -0.821 117.828 118.700 -0.085 0.000 2.142 368 N HA -0.087 4.653 4.740 -0.000 0.000 0.186 368 N C 1.543 177.009 175.510 -0.073 0.000 1.023 368 N CA 1.111 54.082 53.050 -0.132 0.000 0.852 368 N CB -0.332 38.137 38.487 -0.029 0.000 0.998 368 N HN 0.269 nan 8.380 nan 0.000 0.424 369 F N 1.354 121.249 119.950 -0.092 0.000 2.069 369 F HA -0.075 4.452 4.527 -0.000 0.000 0.298 369 F C 1.748 177.559 175.800 0.019 0.000 1.113 369 F CA 1.309 59.314 58.000 0.008 0.000 1.214 369 F CB -0.218 38.792 39.000 0.016 0.000 0.978 369 F HN -0.023 nan 8.300 nan 0.000 0.474 370 L N -0.168 121.150 121.223 0.158 0.000 2.141 370 L HA -0.225 4.115 4.340 -0.000 0.000 0.209 370 L C 2.520 179.353 176.870 -0.063 0.000 1.094 370 L CA 1.522 56.398 54.840 0.060 0.000 0.763 370 L CB -0.811 41.288 42.059 0.066 0.000 0.908 370 L HN 0.326 nan 8.230 nan 0.000 0.437 371 Q N -0.132 119.595 119.800 -0.121 0.000 2.046 371 Q HA -0.181 4.159 4.340 -0.000 0.000 0.200 371 Q C 2.307 178.241 176.000 -0.109 0.000 0.975 371 Q CA 1.930 57.652 55.803 -0.134 0.000 0.836 371 Q CB 0.107 28.717 28.738 -0.213 0.000 0.896 371 Q HN 0.402 nan 8.270 nan 0.000 0.428 372 S N -0.041 115.590 115.700 -0.116 0.000 2.370 372 S HA -0.141 4.329 4.470 -0.000 0.000 0.226 372 S C 1.969 176.460 174.600 -0.182 0.000 1.033 372 S CA 1.381 59.510 58.200 -0.119 0.000 1.011 372 S CB -0.274 62.907 63.200 -0.032 0.000 0.852 372 S HN 0.266 nan 8.310 nan 0.000 0.457 373 V N 1.460 121.235 119.914 -0.232 0.000 2.343 373 V HA -0.157 3.963 4.120 -0.000 0.000 0.247 373 V C 2.476 178.509 176.094 -0.101 0.000 1.051 373 V CA 1.745 63.934 62.300 -0.185 0.000 1.036 373 V CB -0.573 31.157 31.823 -0.154 0.000 0.654 373 V HN 0.328 nan 8.190 nan 0.000 0.451 374 R N -0.421 120.032 120.500 -0.080 0.000 2.073 374 R HA -0.086 4.254 4.340 -0.000 0.000 0.234 374 R C 2.304 178.576 176.300 -0.046 0.000 1.134 374 R CA 1.484 57.554 56.100 -0.050 0.000 0.952 374 R CB -0.284 29.990 30.300 -0.043 0.000 0.850 374 R HN 0.426 nan 8.270 nan 0.000 0.433 375 L N 0.345 121.533 121.223 -0.058 0.000 2.017 375 L HA -0.223 4.117 4.340 -0.000 0.000 0.208 375 L C 2.383 179.220 176.870 -0.054 0.000 1.073 375 L CA 1.322 56.132 54.840 -0.050 0.000 0.745 375 L CB -0.480 41.546 42.059 -0.055 0.000 0.894 375 L HN 0.264 nan 8.230 nan 0.000 0.432 376 L N -0.514 120.662 121.223 -0.078 0.000 2.046 376 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 376 L C 2.879 179.717 176.870 -0.054 0.000 1.077 376 L CA 1.186 55.977 54.840 -0.081 0.000 0.747 376 L CB -0.730 41.260 42.059 -0.115 0.000 0.896 376 L HN 0.244 nan 8.230 nan 0.000 0.432 377 A N -0.002 122.790 122.820 -0.047 0.000 1.855 377 A HA -0.215 4.105 4.320 -0.000 0.000 0.215 377 A C 1.912 179.493 177.584 -0.005 0.000 1.191 377 A CA 1.987 54.009 52.037 -0.025 0.000 0.613 377 A CB -0.552 18.434 19.000 -0.024 0.000 0.829 377 A HN 0.340 nan 8.150 nan 0.000 0.442 378 D N -0.348 120.050 120.400 -0.003 0.000 2.178 378 D HA -0.028 4.612 4.640 -0.000 0.000 0.202 378 D C 2.028 178.348 176.300 0.033 0.000 0.974 378 D CA 1.316 55.326 54.000 0.016 0.000 0.841 378 D CB -0.653 40.154 40.800 0.013 0.000 0.953 378 D HN 0.431 nan 8.370 nan 0.000 0.478 379 G N 0.399 109.209 108.800 0.016 0.000 2.402 379 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.216 379 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.216 379 G C 1.623 176.562 174.900 0.065 0.000 1.162 379 G CA 0.395 45.512 45.100 0.027 0.000 0.777 379 G HN 0.187 nan 8.290 nan 0.000 0.539 380 M N 0.035 119.659 119.600 0.040 0.000 2.175 380 M HA -0.009 4.471 4.480 -0.000 0.000 0.264 380 M C 2.464 178.832 176.300 0.112 0.000 1.063 380 M CA 1.101 56.448 55.300 0.078 0.000 1.119 380 M CB -0.222 32.396 32.600 0.030 0.000 1.377 380 M HN 0.198 nan 8.290 nan 0.000 0.415 381 E N 0.117 120.358 120.200 0.068 0.000 2.051 381 E HA -0.180 4.170 4.350 -0.000 0.000 0.192 381 E C 2.022 178.658 176.600 0.060 0.000 0.991 381 E CA 1.563 57.991 56.400 0.046 0.000 0.799 381 E CB -0.118 29.601 29.700 0.030 0.000 0.748 381 E HN 0.315 nan 8.360 nan 0.000 0.449 382 S N -0.432 115.339 115.700 0.118 0.000 2.356 382 S HA -0.147 4.323 4.470 -0.000 0.000 0.223 382 S C 1.849 176.578 174.600 0.215 0.000 1.032 382 S CA 1.163 59.489 58.200 0.210 0.000 1.005 382 S CB -0.533 62.788 63.200 0.203 0.000 0.867 382 S HN 0.389 nan 8.310 nan 0.000 0.449 383 F N 3.111 123.090 119.950 0.048 0.000 2.171 383 F HA -0.044 4.483 4.527 -0.000 0.000 0.300 383 F C 2.174 177.980 175.800 0.010 0.000 1.090 383 F CA 1.828 59.844 58.000 0.026 0.000 1.293 383 F CB -0.640 38.354 39.000 -0.010 0.000 1.013 383 F HN 0.332 nan 8.300 nan 0.000 0.486 384 N N 0.730 119.437 118.700 0.013 0.000 2.062 384 N HA -0.269 4.471 4.740 -0.000 0.000 0.191 384 N C 2.103 177.511 175.510 -0.169 0.000 1.042 384 N CA 1.741 54.743 53.050 -0.081 0.000 0.845 384 N CB -0.323 38.166 38.487 0.004 0.000 1.024 384 N HN 0.354 nan 8.380 nan 0.000 0.424 385 K N -0.122 120.162 120.400 -0.194 0.000 2.057 385 K HA -0.122 4.198 4.320 -0.000 0.000 0.207 385 K C 1.304 177.650 176.600 -0.423 0.000 1.049 385 K CA 1.352 57.434 56.287 -0.342 0.000 0.931 385 K CB -0.115 32.096 32.500 -0.481 0.000 0.714 385 K HN 0.386 nan 8.250 nan 0.000 0.440 386 H N -1.441 117.580 119.070 -0.082 0.000 2.517 386 H HA 0.157 4.713 4.556 -0.000 0.000 0.282 386 H C 0.859 176.100 175.328 -0.144 0.000 1.023 386 H CA 0.398 56.395 56.048 -0.084 0.000 1.169 386 H CB 0.501 30.236 29.762 -0.045 0.000 1.454 386 H HN 0.340 nan 8.280 nan 0.000 0.556 387 C N -0.954 118.228 119.300 -0.197 0.000 3.246 387 C HA 0.407 4.867 4.460 -0.000 0.000 0.356 387 C C 2.777 177.555 174.990 -0.353 0.000 2.005 387 C CA 0.938 59.769 59.018 -0.313 0.000 1.822 387 C CB -0.618 26.802 27.740 -0.532 0.000 2.052 387 C HN 0.402 nan 8.230 nan 0.000 0.597 388 A N 1.490 123.971 122.820 -0.565 0.000 1.892 388 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 388 A C 2.031 179.554 177.584 -0.101 0.000 1.188 388 A CA 3.247 55.100 52.037 -0.306 0.000 0.631 388 A CB -1.239 17.611 19.000 -0.250 0.000 0.822 388 A HN 1.400 nan 8.150 nan 0.000 0.447 389 V N -2.564 117.284 119.914 -0.109 0.000 2.720 389 V HA 0.060 4.180 4.120 -0.000 0.000 0.256 389 V C 1.913 177.995 176.094 -0.021 0.000 1.082 389 V CA 1.812 64.079 62.300 -0.056 0.000 1.101 389 V CB -1.270 30.511 31.823 -0.070 0.000 0.693 389 V HN 0.490 nan 8.190 nan 0.000 0.479 390 G N -0.289 108.494 108.800 -0.028 0.000 3.337 390 G HA2 0.361 4.321 3.960 -0.000 0.000 0.246 390 G HA3 0.361 4.321 3.960 -0.000 0.000 0.246 390 G C 0.449 175.379 174.900 0.050 0.000 1.131 390 G CA -0.402 44.704 45.100 0.009 0.000 0.773 390 G HN 0.507 nan 8.290 nan 0.000 0.544 391 I N 1.892 122.516 120.570 0.089 0.000 2.587 391 I HA 0.138 4.308 4.170 -0.000 0.000 0.284 391 I C -0.358 175.890 176.117 0.218 0.000 1.134 391 I CA 0.341 61.733 61.300 0.153 0.000 1.410 391 I CB 0.724 38.865 38.000 0.235 0.000 1.392 391 I HN 0.004 nan 8.210 nan 0.000 0.545 392 E N 8.625 128.872 120.200 0.078 0.000 2.293 392 E HA 0.437 4.787 4.350 -0.000 0.000 0.270 392 E C -2.524 173.960 176.600 -0.194 0.000 0.879 392 E CA -2.001 54.379 56.400 -0.034 0.000 0.756 392 E CB 2.177 31.883 29.700 0.010 0.000 1.208 392 E HN 0.249 nan 8.360 nan 0.000 0.428 393 P HA 0.230 nan 4.420 nan 0.000 0.285 393 P C -0.458 176.734 177.300 -0.180 0.000 1.259 393 P CA -0.619 62.274 63.100 -0.345 0.000 0.794 393 P CB 0.719 32.090 31.700 -0.548 0.000 0.940 394 N N 3.523 122.157 118.700 -0.112 0.000 2.719 394 N HA 0.123 4.863 4.740 -0.000 0.000 0.243 394 N C 1.372 176.844 175.510 -0.063 0.000 1.104 394 N CA -0.159 52.852 53.050 -0.065 0.000 0.981 394 N CB 0.136 38.602 38.487 -0.035 0.000 1.290 394 N HN 0.314 nan 8.380 nan 0.000 0.513 395 R N 0.944 121.403 120.500 -0.069 0.000 2.117 395 R HA -0.165 4.175 4.340 -0.000 0.000 0.243 395 R C 1.328 177.609 176.300 -0.031 0.000 1.143 395 R CA 1.292 57.359 56.100 -0.055 0.000 0.968 395 R CB 0.155 30.426 30.300 -0.048 0.000 0.863 395 R HN 0.552 nan 8.270 nan 0.000 0.444 396 E N 0.063 120.250 120.200 -0.023 0.000 2.047 396 E HA -0.201 4.149 4.350 -0.000 0.000 0.191 396 E C 2.107 178.702 176.600 -0.008 0.000 0.987 396 E CA 0.938 57.331 56.400 -0.012 0.000 0.799 396 E CB -0.018 29.677 29.700 -0.009 0.000 0.752 396 E HN 0.101 nan 8.360 nan 0.000 0.449 397 R N 1.207 121.702 120.500 -0.009 0.000 2.081 397 R HA -0.102 4.238 4.340 -0.000 0.000 0.235 397 R C 2.141 178.440 176.300 -0.002 0.000 1.131 397 R CA 1.110 57.209 56.100 -0.002 0.000 0.960 397 R CB -0.431 29.870 30.300 0.001 0.000 0.856 397 R HN 0.149 nan 8.270 nan 0.000 0.436 398 I N 0.381 120.944 120.570 -0.012 0.000 2.208 398 I HA -0.325 3.845 4.170 -0.000 0.000 0.245 398 I C 1.624 177.737 176.117 -0.006 0.000 1.097 398 I CA 1.936 63.228 61.300 -0.013 0.000 1.363 398 I CB -0.363 37.616 38.000 -0.034 0.000 1.051 398 I HN 0.367 nan 8.210 nan 0.000 0.413 399 N N -0.145 118.551 118.700 -0.006 0.000 2.250 399 N HA -0.203 4.537 4.740 -0.000 0.000 0.181 399 N C 1.868 177.384 175.510 0.010 0.000 1.017 399 N CA 0.538 53.589 53.050 0.003 0.000 0.866 399 N CB -0.031 38.457 38.487 0.002 0.000 0.985 399 N HN 0.328 nan 8.380 nan 0.000 0.429 400 Q N 1.015 120.820 119.800 0.008 0.000 2.030 400 Q HA -0.182 4.158 4.340 -0.000 0.000 0.204 400 Q C 1.945 177.954 176.000 0.015 0.000 0.986 400 Q CA 1.322 57.132 55.803 0.011 0.000 0.843 400 Q CB -0.099 28.644 28.738 0.009 0.000 0.904 400 Q HN 0.398 nan 8.270 nan 0.000 0.420 401 L N 0.437 121.668 121.223 0.013 0.000 2.017 401 L HA -0.224 4.116 4.340 -0.000 0.000 0.208 401 L C 2.621 179.501 176.870 0.016 0.000 1.073 401 L CA 0.893 55.742 54.840 0.015 0.000 0.745 401 L CB -0.476 41.592 42.059 0.015 0.000 0.894 401 L HN 0.376 nan 8.230 nan 0.000 0.432 402 L N 0.080 121.313 121.223 0.015 0.000 2.042 402 L HA -0.245 4.095 4.340 -0.000 0.000 0.210 402 L C 1.869 178.757 176.870 0.031 0.000 1.076 402 L CA 1.431 56.282 54.840 0.018 0.000 0.749 402 L CB -0.295 41.772 42.059 0.014 0.000 0.893 402 L HN 0.457 nan 8.230 nan 0.000 0.432 403 N N -0.665 118.056 118.700 0.036 0.000 2.398 403 N HA -0.111 4.629 4.740 -0.000 0.000 0.188 403 N C 1.188 176.727 175.510 0.049 0.000 1.122 403 N CA 0.439 53.522 53.050 0.055 0.000 0.866 403 N CB 0.387 38.906 38.487 0.054 0.000 0.970 403 N HN 0.496 nan 8.380 nan 0.000 0.462 404 E N 0.402 120.622 120.200 0.033 0.000 2.447 404 E HA 0.026 4.376 4.350 -0.000 0.000 0.204 404 E C -0.088 176.524 176.600 0.019 0.000 0.977 404 E CA -0.157 56.258 56.400 0.024 0.000 0.950 404 E CB 0.456 30.166 29.700 0.017 0.000 0.975 404 E HN 0.185 nan 8.360 nan 0.000 0.496 405 S N 0.323 116.035 115.700 0.020 0.000 2.601 405 S HA 0.136 4.606 4.470 -0.000 0.000 0.271 405 S C 0.957 175.566 174.600 0.016 0.000 1.305 405 S CA -0.716 57.488 58.200 0.006 0.000 1.022 405 S CB 1.177 64.379 63.200 0.003 0.000 0.940 405 S HN 0.129 nan 8.310 nan 0.000 0.525 406 L N 1.516 122.735 121.223 -0.008 0.000 2.599 406 L HA 0.157 4.497 4.340 -0.000 0.000 0.230 406 L C 1.996 178.867 176.870 0.002 0.000 1.141 406 L CA 0.620 55.461 54.840 0.002 0.000 0.877 406 L CB -1.612 40.428 42.059 -0.032 0.000 1.009 406 L HN 0.694 nan 8.230 nan 0.000 0.447 407 M N -0.191 119.407 119.600 -0.004 0.000 2.202 407 M HA -0.144 4.336 4.480 -0.000 0.000 0.262 407 M C 2.114 178.414 176.300 -0.000 0.000 1.063 407 M CA 1.395 56.691 55.300 -0.006 0.000 1.097 407 M CB -0.852 31.744 32.600 -0.006 0.000 1.382 407 M HN 0.238 nan 8.290 nan 0.000 0.413 408 L N -1.271 119.963 121.223 0.017 0.000 2.465 408 L HA -0.090 4.250 4.340 -0.000 0.000 0.224 408 L C 2.340 179.218 176.870 0.014 0.000 1.145 408 L CA -0.041 54.807 54.840 0.015 0.000 0.834 408 L CB -0.731 41.345 42.059 0.028 0.000 0.944 408 L HN 0.067 nan 8.230 nan 0.000 0.451 409 V N 0.816 120.747 119.914 0.029 0.000 2.660 409 V HA -0.324 3.796 4.120 -0.000 0.000 0.257 409 V C 2.573 178.653 176.094 -0.022 0.000 1.088 409 V CA 2.516 64.834 62.300 0.030 0.000 1.106 409 V CB -0.526 31.304 31.823 0.012 0.000 0.686 409 V HN 0.771 nan 8.190 nan 0.000 0.481 410 T N -1.358 113.170 114.554 -0.043 0.000 2.720 410 T HA -0.203 4.147 4.350 -0.000 0.000 0.268 410 T C 1.938 176.610 174.700 -0.046 0.000 1.037 410 T CA 1.550 63.612 62.100 -0.063 0.000 1.144 410 T CB -0.805 68.037 68.868 -0.044 0.000 0.864 410 T HN 0.656 nan 8.240 nan 0.000 0.444 411 A N 1.278 124.086 122.820 -0.020 0.000 2.070 411 A HA 0.214 4.534 4.320 -0.000 0.000 0.220 411 A C 2.370 179.995 177.584 0.069 0.000 1.159 411 A CA 0.993 53.036 52.037 0.011 0.000 0.656 411 A CB -0.818 18.186 19.000 0.006 0.000 0.800 411 A HN 0.573 nan 8.150 nan 0.000 0.453 412 L N -0.582 120.670 121.223 0.048 0.000 2.179 412 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 412 L C 2.230 179.095 176.870 -0.008 0.000 1.096 412 L CA 0.815 55.708 54.840 0.089 0.000 0.779 412 L CB -0.620 41.523 42.059 0.140 0.000 0.922 412 L HN 0.458 nan 8.230 nan 0.000 0.443 413 N N -0.165 118.498 118.700 -0.062 0.000 2.094 413 N HA -0.189 4.551 4.740 -0.000 0.000 0.191 413 N C 1.502 176.919 175.510 -0.155 0.000 1.023 413 N CA 2.005 54.998 53.050 -0.095 0.000 0.857 413 N CB -0.184 38.239 38.487 -0.106 0.000 1.013 413 N HN 0.368 nan 8.380 nan 0.000 0.426 414 T N -0.509 113.887 114.554 -0.264 0.000 3.007 414 T HA -0.062 4.288 4.350 -0.000 0.000 0.270 414 T C 0.797 175.069 174.700 -0.713 0.000 1.107 414 T CA 1.113 62.936 62.100 -0.462 0.000 1.118 414 T CB -0.138 68.383 68.868 -0.578 0.000 0.889 414 T HN 0.469 nan 8.240 nan 0.000 0.506 415 H N -1.168 117.650 119.070 -0.421 0.000 2.827 415 H HA 0.578 5.134 4.556 -0.000 0.000 0.269 415 H C -0.352 174.705 175.328 -0.452 0.000 1.031 415 H CA -0.402 55.233 56.048 -0.688 0.000 1.202 415 H CB 0.805 29.625 29.762 -1.571 0.000 1.511 415 H HN 0.164 nan 8.280 nan 0.000 0.517 416 I N 0.295 120.770 120.570 -0.159 0.000 2.743 416 I HA 0.375 4.545 4.170 -0.000 0.000 0.292 416 I C -0.107 176.001 176.117 -0.015 0.000 1.343 416 I CA -0.659 60.609 61.300 -0.053 0.000 1.038 416 I CB 1.432 39.457 38.000 0.042 0.000 1.311 416 I HN 0.166 nan 8.210 nan 0.000 0.426 417 G N 5.318 114.121 108.800 0.005 0.000 2.257 417 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.235 417 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.235 417 G C 0.458 175.426 174.900 0.114 0.000 1.225 417 G CA 0.557 45.690 45.100 0.054 0.000 0.878 417 G HN 0.816 nan 8.290 nan 0.000 0.505 418 Y N 1.412 121.715 120.300 0.006 0.000 2.062 418 Y HA -0.391 4.159 4.550 -0.000 0.000 0.273 418 Y C 2.736 178.662 175.900 0.044 0.000 1.206 418 Y CA 3.009 61.120 58.100 0.018 0.000 1.125 418 Y CB 0.036 38.500 38.460 0.006 0.000 0.951 418 Y HN 0.779 nan 8.280 nan 0.000 0.501 419 D N -1.032 119.556 120.400 0.314 0.000 2.117 419 D HA -0.189 4.451 4.640 -0.000 0.000 0.197 419 D C 1.697 178.105 176.300 0.181 0.000 0.987 419 D CA 1.453 55.590 54.000 0.229 0.000 0.829 419 D CB -0.320 40.579 40.800 0.166 0.000 0.961 419 D HN 0.296 nan 8.370 nan 0.000 0.460 420 K N 1.205 121.719 120.400 0.189 0.000 2.031 420 K HA 0.065 4.385 4.320 -0.000 0.000 0.205 420 K C 2.408 179.171 176.600 0.272 0.000 1.049 420 K CA 1.197 57.663 56.287 0.299 0.000 0.939 420 K CB -0.816 31.824 32.500 0.234 0.000 0.717 420 K HN 0.250 nan 8.250 nan 0.000 0.438 421 A N 1.555 124.471 122.820 0.160 0.000 1.902 421 A HA -0.101 4.219 4.320 -0.000 0.000 0.217 421 A C 2.399 180.014 177.584 0.052 0.000 1.181 421 A CA 2.226 54.328 52.037 0.108 0.000 0.623 421 A CB -0.683 18.325 19.000 0.013 0.000 0.818 421 A HN 0.297 nan 8.150 nan 0.000 0.443 422 A N -0.669 122.154 122.820 0.004 0.000 2.015 422 A HA -0.131 4.189 4.320 -0.000 0.000 0.219 422 A C 1.942 179.552 177.584 0.043 0.000 1.163 422 A CA 1.689 53.724 52.037 -0.002 0.000 0.646 422 A CB -0.463 18.543 19.000 0.010 0.000 0.806 422 A HN 0.683 nan 8.150 nan 0.000 0.448 423 E N 0.294 120.535 120.200 0.067 0.000 2.051 423 E HA -0.196 4.154 4.350 -0.000 0.000 0.192 423 E C 1.948 178.527 176.600 -0.036 0.000 0.991 423 E CA 1.622 58.040 56.400 0.029 0.000 0.799 423 E CB -0.314 29.420 29.700 0.056 0.000 0.748 423 E HN 0.812 nan 8.360 nan 0.000 0.449 424 I N -1.795 118.750 120.570 -0.043 0.000 2.315 424 I HA -0.085 4.085 4.170 -0.000 0.000 0.248 424 I C 2.424 178.537 176.117 -0.007 0.000 1.117 424 I CA 1.240 62.502 61.300 -0.065 0.000 1.404 424 I CB -0.459 37.525 38.000 -0.027 0.000 1.071 424 I HN 0.008 nan 8.210 nan 0.000 0.419 425 A N 2.100 124.936 122.820 0.026 0.000 1.908 425 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 425 A C 2.366 179.990 177.584 0.068 0.000 1.181 425 A CA 2.074 54.137 52.037 0.044 0.000 0.627 425 A CB -0.578 18.441 19.000 0.032 0.000 0.818 425 A HN 0.518 nan 8.150 nan 0.000 0.445 426 K N -0.267 120.164 120.400 0.053 0.000 2.026 426 K HA -0.162 4.158 4.320 -0.000 0.000 0.208 426 K C 2.215 178.831 176.600 0.027 0.000 1.048 426 K CA 1.677 57.998 56.287 0.057 0.000 0.929 426 K CB -0.160 32.357 32.500 0.029 0.000 0.713 426 K HN 0.532 nan 8.250 nan 0.000 0.439 427 K N 0.978 121.374 120.400 -0.006 0.000 2.025 427 K HA -0.123 4.197 4.320 -0.000 0.000 0.207 427 K C 2.201 178.798 176.600 -0.006 0.000 1.049 427 K CA 1.239 57.510 56.287 -0.028 0.000 0.933 427 K CB -0.135 32.327 32.500 -0.062 0.000 0.714 427 K HN 0.135 nan 8.250 nan 0.000 0.438 428 A N 1.157 123.986 122.820 0.014 0.000 1.865 428 A HA -0.256 4.064 4.320 -0.000 0.000 0.217 428 A C 2.110 179.746 177.584 0.087 0.000 1.191 428 A CA 2.082 54.137 52.037 0.029 0.000 0.623 428 A CB -1.163 17.854 19.000 0.028 0.000 0.826 428 A HN 0.615 nan 8.150 nan 0.000 0.444 429 H N -0.008 119.054 119.070 -0.013 0.000 2.319 429 H HA -0.115 4.441 4.556 -0.000 0.000 0.299 429 H C 1.995 177.317 175.328 -0.010 0.000 1.092 429 H CA 2.339 58.383 56.048 -0.008 0.000 1.302 429 H CB -0.308 29.451 29.762 -0.004 0.000 1.373 429 H HN 0.427 nan 8.280 nan 0.000 0.497 430 K N 0.065 120.407 120.400 -0.097 0.000 2.025 430 K HA -0.088 4.231 4.320 -0.000 0.000 0.207 430 K C 2.064 178.618 176.600 -0.077 0.000 1.049 430 K CA 1.662 57.844 56.287 -0.176 0.000 0.933 430 K CB 0.112 32.532 32.500 -0.135 0.000 0.714 430 K HN 0.224 nan 8.250 nan 0.000 0.438 431 E N -1.305 118.874 120.200 -0.036 0.000 2.435 431 E HA 0.136 4.486 4.350 -0.000 0.000 0.195 431 E C 0.517 177.113 176.600 -0.006 0.000 1.029 431 E CA 0.706 57.091 56.400 -0.024 0.000 0.865 431 E CB 0.654 30.337 29.700 -0.028 0.000 0.833 431 E HN 0.481 nan 8.360 nan 0.000 0.510 432 G N 0.299 109.110 108.800 0.019 0.000 2.160 432 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.244 432 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.244 432 G C -0.198 174.711 174.900 0.016 0.000 1.022 432 G CA 0.066 45.185 45.100 0.031 0.000 0.741 432 G HN 0.080 nan 8.290 nan 0.000 0.508 433 L N 0.800 122.027 121.223 0.008 0.000 2.400 433 L HA 0.777 5.117 4.340 -0.000 0.000 0.264 433 L C 1.421 178.286 176.870 -0.009 0.000 1.061 433 L CA 0.108 54.941 54.840 -0.012 0.000 0.799 433 L CB 1.138 43.178 42.059 -0.031 0.000 1.240 433 L HN 0.377 nan 8.230 nan 0.000 0.461 434 T N -2.049 112.487 114.554 -0.029 0.000 2.899 434 T HA 0.353 4.703 4.350 -0.000 0.000 0.284 434 T C 1.459 176.128 174.700 -0.052 0.000 1.004 434 T CA -0.646 61.439 62.100 -0.026 0.000 1.043 434 T CB 0.455 69.303 68.868 -0.034 0.000 1.013 434 T HN 0.413 nan 8.240 nan 0.000 0.518 435 L N 0.463 121.681 121.223 -0.008 0.000 2.021 435 L HA -0.178 4.162 4.340 -0.000 0.000 0.215 435 L C 2.983 179.700 176.870 -0.255 0.000 1.074 435 L CA 1.926 56.772 54.840 0.010 0.000 0.760 435 L CB -0.521 41.680 42.059 0.237 0.000 0.889 435 L HN 0.835 nan 8.230 nan 0.000 0.433 436 K N -0.288 119.790 120.400 -0.538 0.000 2.025 436 K HA -0.171 4.149 4.320 -0.000 0.000 0.207 436 K C 2.163 178.482 176.600 -0.469 0.000 1.049 436 K CA 1.226 56.916 56.287 -0.995 0.000 0.933 436 K CB -0.131 31.841 32.500 -0.880 0.000 0.714 436 K HN 0.271 nan 8.250 nan 0.000 0.438 437 A N 1.149 123.808 122.820 -0.268 0.000 1.892 437 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 437 A C 2.334 179.831 177.584 -0.146 0.000 1.188 437 A CA 2.268 54.205 52.037 -0.166 0.000 0.631 437 A CB -0.975 17.961 19.000 -0.106 0.000 0.822 437 A HN 0.508 nan 8.150 nan 0.000 0.447 438 A N -0.526 122.213 122.820 -0.135 0.000 1.930 438 A HA 0.237 4.557 4.320 -0.000 0.000 0.217 438 A C 2.504 180.010 177.584 -0.129 0.000 1.175 438 A CA 1.932 53.903 52.037 -0.110 0.000 0.627 438 A CB -0.977 17.976 19.000 -0.078 0.000 0.815 438 A HN 1.087 nan 8.150 nan 0.000 0.443 439 A N -0.042 122.687 122.820 -0.151 0.000 1.902 439 A HA -0.052 4.268 4.320 -0.000 0.000 0.217 439 A C 2.164 179.706 177.584 -0.070 0.000 1.181 439 A CA 1.559 53.540 52.037 -0.093 0.000 0.623 439 A CB -0.587 18.352 19.000 -0.102 0.000 0.818 439 A HN 0.478 nan 8.150 nan 0.000 0.443 440 L N -1.041 120.105 121.223 -0.128 0.000 2.072 440 L HA -0.102 4.238 4.340 -0.000 0.000 0.205 440 L C 3.048 179.884 176.870 -0.056 0.000 1.079 440 L CA 0.976 55.766 54.840 -0.082 0.000 0.752 440 L CB -0.658 41.333 42.059 -0.114 0.000 0.906 440 L HN 0.405 nan 8.230 nan 0.000 0.436 441 A N -0.114 122.659 122.820 -0.077 0.000 2.019 441 A HA -0.178 4.142 4.320 -0.000 0.000 0.219 441 A C 2.133 179.679 177.584 -0.064 0.000 1.164 441 A CA 1.369 53.368 52.037 -0.063 0.000 0.644 441 A CB -0.482 18.477 19.000 -0.069 0.000 0.805 441 A HN 0.321 nan 8.150 nan 0.000 0.449 442 L N -0.992 120.171 121.223 -0.099 0.000 2.558 442 L HA 0.270 4.610 4.340 -0.000 0.000 0.225 442 L C 1.570 178.429 176.870 -0.018 0.000 1.128 442 L CA 1.233 55.976 54.840 -0.161 0.000 0.868 442 L CB -0.436 41.381 42.059 -0.404 0.000 1.006 442 L HN 0.610 nan 8.230 nan 0.000 0.454 443 G N -1.477 107.352 108.800 0.049 0.000 2.203 443 G HA2 -0.384 3.576 3.960 -0.000 0.000 0.263 443 G HA3 -0.384 3.576 3.960 -0.000 0.000 0.263 443 G C 0.656 175.733 174.900 0.294 0.000 1.012 443 G CA 0.704 45.884 45.100 0.133 0.000 0.749 443 G HN 0.352 nan 8.290 nan 0.000 0.512 444 Y N -1.042 119.287 120.300 0.048 0.000 2.561 444 Y HA 0.401 4.951 4.550 -0.000 0.000 0.291 444 Y C 1.534 177.508 175.900 0.123 0.000 1.141 444 Y CA 0.821 58.975 58.100 0.089 0.000 1.303 444 Y CB 0.026 38.551 38.460 0.107 0.000 1.015 444 Y HN 0.707 nan 8.280 nan 0.000 0.547 445 L N -4.372 116.987 121.223 0.227 0.000 3.064 445 L HA 0.607 4.947 4.340 -0.000 0.000 0.282 445 L C -0.351 176.537 176.870 0.030 0.000 1.045 445 L CA -1.636 53.279 54.840 0.125 0.000 0.986 445 L CB 0.985 43.151 42.059 0.179 0.000 1.571 445 L HN -0.297 nan 8.230 nan 0.000 0.377 446 S N -2.088 113.583 115.700 -0.050 0.000 2.664 446 S HA 0.544 5.014 4.470 -0.000 0.000 0.304 446 S C 0.661 175.219 174.600 -0.070 0.000 1.099 446 S CA 0.142 58.303 58.200 -0.065 0.000 1.003 446 S CB 1.757 64.907 63.200 -0.083 0.000 1.092 446 S HN 0.928 nan 8.310 nan 0.000 0.525 447 E N 0.980 121.143 120.200 -0.061 0.000 2.058 447 E HA -0.199 4.151 4.350 -0.000 0.000 0.194 447 E C 2.091 178.673 176.600 -0.029 0.000 0.997 447 E CA 1.469 57.847 56.400 -0.037 0.000 0.801 447 E CB -0.580 29.093 29.700 -0.044 0.000 0.746 447 E HN 0.802 nan 8.360 nan 0.000 0.450 448 A N 1.801 124.571 122.820 -0.084 0.000 1.865 448 A HA -0.292 4.028 4.320 -0.000 0.000 0.217 448 A C 2.060 179.499 177.584 -0.242 0.000 1.191 448 A CA 2.164 54.126 52.037 -0.124 0.000 0.623 448 A CB -0.892 18.037 19.000 -0.118 0.000 0.826 448 A HN 0.610 nan 8.150 nan 0.000 0.444 449 E N -1.684 118.279 120.200 -0.393 0.000 2.150 449 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 449 E C 1.896 177.924 176.600 -0.952 0.000 0.985 449 E CA 1.243 57.113 56.400 -0.883 0.000 0.814 449 E CB -0.524 28.470 29.700 -1.178 0.000 0.752 449 E HN 0.569 nan 8.360 nan 0.000 0.466 450 F N 3.196 122.826 119.950 -0.534 0.000 2.051 450 F HA -0.189 4.338 4.527 -0.000 0.000 0.296 450 F C 1.733 177.450 175.800 -0.139 0.000 1.122 450 F CA 2.193 60.059 58.000 -0.223 0.000 1.201 450 F CB -0.211 38.732 39.000 -0.095 0.000 0.978 450 F HN -0.119 nan 8.300 nan 0.000 0.472 451 D N -0.022 120.388 120.400 0.017 0.000 2.158 451 D HA -0.192 4.448 4.640 -0.000 0.000 0.197 451 D C 2.437 178.659 176.300 -0.129 0.000 0.995 451 D CA 1.851 55.831 54.000 -0.034 0.000 0.846 451 D CB -0.710 40.105 40.800 0.026 0.000 0.941 451 D HN 0.453 nan 8.370 nan 0.000 0.456 452 S N -0.850 114.734 115.700 -0.193 0.000 2.461 452 S HA -0.079 4.391 4.470 -0.000 0.000 0.228 452 S C 1.732 176.312 174.600 -0.032 0.000 1.005 452 S CA 0.090 58.208 58.200 -0.138 0.000 0.942 452 S CB -0.300 62.791 63.200 -0.181 0.000 0.776 452 S HN 0.243 nan 8.310 nan 0.000 0.514 453 W N 1.364 122.476 121.300 -0.313 0.000 2.525 453 W HA 0.413 5.073 4.660 0.000 0.000 0.288 453 W C 1.106 177.439 176.519 -0.310 0.000 1.200 453 W CA -0.786 56.291 57.345 -0.447 0.000 1.349 453 W CB -0.881 28.201 29.460 -0.629 0.000 1.102 453 W HN 0.143 nan 8.180 nan 0.000 0.558 454 V N 5.007 124.802 119.914 -0.198 0.000 2.223 454 V HA 0.259 4.379 4.120 -0.000 0.000 0.249 454 V C -0.018 176.003 176.094 -0.123 0.000 1.233 454 V CA -0.183 61.974 62.300 -0.239 0.000 1.131 454 V CB -0.611 30.880 31.823 -0.553 0.000 1.298 454 V HN -0.138 nan 8.190 nan 0.000 0.498 455 R N 8.013 128.487 120.500 -0.044 0.000 2.369 455 R HA 0.323 4.663 4.340 -0.000 0.000 0.310 455 R C -1.729 174.564 176.300 -0.011 0.000 1.141 455 R CA -1.943 54.146 56.100 -0.018 0.000 1.116 455 R CB 1.045 31.349 30.300 0.007 0.000 1.135 455 R HN 0.511 nan 8.270 nan 0.000 0.529 456 P HA -0.191 nan 4.420 nan 0.000 0.218 456 P C 0.809 178.108 177.300 -0.002 0.000 1.148 456 P CA 1.146 64.242 63.100 -0.006 0.000 0.822 456 P CB 0.352 32.051 31.700 -0.002 0.000 0.784 457 E N 0.651 120.851 120.200 0.000 0.000 2.515 457 E HA -0.162 4.188 4.350 -0.000 0.000 0.201 457 E C 0.880 177.482 176.600 0.003 0.000 1.071 457 E CA 0.710 57.111 56.400 0.002 0.000 0.880 457 E CB -0.562 29.140 29.700 0.004 0.000 0.828 457 E HN 0.399 nan 8.360 nan 0.000 0.540 458 Q N 0.160 119.962 119.800 0.004 0.000 2.157 458 Q HA 0.317 4.657 4.340 -0.000 0.000 0.229 458 Q C -0.629 175.373 176.000 0.002 0.000 0.827 458 Q CA -0.498 55.308 55.803 0.005 0.000 1.055 458 Q CB 0.175 28.920 28.738 0.012 0.000 1.157 458 Q HN 0.030 nan 8.270 nan 0.000 0.482 459 M N 0.000 119.600 119.600 -0.000 0.000 2.572 459 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 459 M CA 0.000 55.299 55.300 -0.002 0.000 0.988 459 M CB 0.000 32.599 32.600 -0.003 0.000 1.302 459 M HN 0.000 nan 8.290 nan 0.000 0.411