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 1jny_1_A DATA FIRST_RESID 4 DATA SEQUENCE KPHLNLIVIG HVDHGKSTLV GRLLMDRGFI DEKTVKEAEE AAKKLGKESE DATA SEQUENCE KFAFLLDRLK EEXXXXXXXX XXXMRFETKK YFFTIIDAPG HRDFVKNMIT DATA SEQUENCE GASQADAAIL VVSAKKGEYE AGMSVEGQTR EHIILAKTMG LDQLIVAVNK DATA SEQUENCE MDLTEPPYDE KRYKEIVDQV SKFMRSYGFN TNKVRFVPVV APSGDNITHK DATA SEQUENCE SENMKWYNGP TLEEYLDQLE LPPKPVDKPL RIPIQDVYSI SGVGTVPVGR DATA SEQUENCE VESGVLKVGD KIVFMPAGKV GEVRSIETHH TKMDKAEPGD NIGFNVRGVE DATA SEQUENCE KKDIKRGDVV GHPNNPPTVA DEFTARIIVV WHPTALANGY TPVLHVHTAS DATA SEQUENCE VACRVSELVS KLDPRTGQEA EKNPQFLKQG DVAIVKFKPI KPLCVEKYNE DATA SEQUENCE FPPLGRFAMR DMGKTVGVGI IVDVKP 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 K HA 0.000 nan 4.320 nan 0.000 0.191 4 K C 0.000 176.581 176.600 -0.031 0.000 0.988 4 K CA 0.000 56.267 56.287 -0.034 0.000 0.838 4 K CB 0.000 32.462 32.500 -0.063 0.000 1.064 5 P HA -0.025 nan 4.420 nan 0.000 0.265 5 P C -1.070 176.203 177.300 -0.045 0.000 1.187 5 P CA 0.139 63.275 63.100 0.060 0.000 0.766 5 P CB 0.321 32.159 31.700 0.230 0.000 0.820 6 H N 2.691 121.795 119.070 0.058 0.000 2.519 6 H HA 0.369 4.926 4.556 0.002 0.000 0.316 6 H C -0.066 175.182 175.328 -0.133 0.000 1.065 6 H CA -0.280 55.760 56.048 -0.014 0.000 1.264 6 H CB 0.806 30.555 29.762 -0.021 0.000 1.413 6 H HN 0.267 nan 8.280 nan 0.000 0.465 7 L N 2.993 124.096 121.223 -0.201 0.000 2.362 7 L HA 0.279 4.620 4.340 0.002 0.000 0.271 7 L C 0.053 176.904 176.870 -0.032 0.000 1.002 7 L CA -1.065 53.644 54.840 -0.218 0.000 0.818 7 L CB 1.811 43.562 42.059 -0.513 0.000 1.298 7 L HN 0.496 nan 8.230 nan 0.000 0.420 8 N N 2.968 121.693 118.700 0.041 0.000 2.434 8 N HA 0.460 5.201 4.740 0.002 0.000 0.272 8 N C -0.978 174.626 175.510 0.157 0.000 1.040 8 N CA -0.201 52.909 53.050 0.100 0.000 0.956 8 N CB 1.912 40.440 38.487 0.069 0.000 1.108 8 N HN 0.419 nan 8.380 nan 0.000 0.481 9 L N 2.837 124.180 121.223 0.200 0.000 2.329 9 L HA 0.574 4.916 4.340 0.002 0.000 0.279 9 L C -0.695 176.262 176.870 0.144 0.000 1.014 9 L CA -0.741 54.215 54.840 0.193 0.000 0.814 9 L CB 1.626 43.817 42.059 0.221 0.000 1.257 9 L HN 0.424 nan 8.230 nan 0.000 0.424 10 I N 4.341 124.981 120.570 0.117 0.000 2.465 10 I HA 0.379 4.550 4.170 0.002 0.000 0.291 10 I C -1.111 175.050 176.117 0.073 0.000 1.014 10 I CA -0.646 60.712 61.300 0.096 0.000 1.093 10 I CB 2.040 40.106 38.000 0.110 0.000 1.267 10 I HN 0.235 nan 8.210 nan 0.000 0.431 11 V N 8.240 128.189 119.914 0.059 0.000 2.328 11 V HA 0.402 4.523 4.120 0.002 0.000 0.278 11 V C 0.298 176.418 176.094 0.043 0.000 1.021 11 V CA -0.397 61.934 62.300 0.052 0.000 0.838 11 V CB 1.031 32.888 31.823 0.056 0.000 0.999 11 V HN 0.557 nan 8.190 nan 0.000 0.447 12 I N 2.018 122.621 120.570 0.056 0.000 3.100 12 I HA 1.120 5.291 4.170 0.002 0.000 0.312 12 I C 0.363 176.592 176.117 0.186 0.000 1.063 12 I CA -0.786 60.577 61.300 0.104 0.000 1.031 12 I CB 2.272 40.288 38.000 0.027 0.000 1.243 12 I HN 0.752 nan 8.210 nan 0.000 0.483 13 G N 0.482 109.485 108.800 0.340 0.000 2.351 13 G HA2 0.087 4.048 3.960 0.002 0.000 0.353 13 G HA3 0.087 4.048 3.960 0.002 0.000 0.353 13 G C -1.692 173.154 174.900 -0.090 0.000 1.358 13 G CA -0.918 44.240 45.100 0.097 0.000 0.995 13 G HN 1.128 nan 8.290 nan 0.000 0.611 14 H N -0.829 117.981 119.070 -0.433 0.000 2.771 14 H HA 0.446 5.003 4.556 0.001 0.000 0.364 14 H C 1.116 176.187 175.328 -0.428 0.000 1.133 14 H CA 0.866 56.543 56.048 -0.618 0.000 1.423 14 H CB 1.327 30.466 29.762 -1.038 0.000 1.425 14 H HN 0.822 nan 8.280 nan 0.000 0.606 15 V N 4.355 123.847 119.914 -0.703 0.000 2.694 15 V HA -0.087 4.034 4.120 0.002 0.000 0.306 15 V C 0.021 176.065 176.094 -0.084 0.000 1.054 15 V CA 0.986 63.074 62.300 -0.354 0.000 1.161 15 V CB -0.102 31.484 31.823 -0.395 0.000 0.916 15 V HN 1.156 nan 8.190 nan 0.000 0.490 16 D N 3.491 123.903 120.400 0.021 0.000 3.079 16 D HA -0.195 4.446 4.640 0.002 0.000 0.214 16 D C 0.752 177.197 176.300 0.241 0.000 1.145 16 D CA 1.474 55.542 54.000 0.112 0.000 0.958 16 D CB -1.192 39.664 40.800 0.093 0.000 1.117 16 D HN 0.904 nan 8.370 nan 0.000 0.416 17 H N -0.600 118.496 119.070 0.043 0.000 2.548 17 H HA 0.363 4.920 4.556 0.002 0.000 0.268 17 H C 2.048 177.403 175.328 0.046 0.000 0.975 17 H CA 1.697 57.781 56.048 0.059 0.000 1.195 17 H CB 0.443 30.254 29.762 0.081 0.000 1.397 17 H HN 0.418 nan 8.280 nan 0.000 0.572 18 G N -0.170 108.718 108.800 0.147 0.000 2.155 18 G HA2 -0.210 3.751 3.960 0.002 0.000 0.130 18 G HA3 -0.210 3.751 3.960 0.002 0.000 0.130 18 G C 1.228 176.177 174.900 0.083 0.000 1.027 18 G CA 0.163 45.319 45.100 0.093 0.000 0.705 18 G HN 0.341 nan 8.290 nan 0.000 0.496 19 K N 1.046 121.496 120.400 0.083 0.000 1.991 19 K HA -0.097 4.224 4.320 0.002 0.000 0.212 19 K C 2.876 179.510 176.600 0.057 0.000 1.049 19 K CA 2.021 58.349 56.287 0.068 0.000 0.932 19 K CB -0.318 32.222 32.500 0.066 0.000 0.717 19 K HN 0.536 nan 8.250 nan 0.000 0.441 20 S N 0.674 116.403 115.700 0.049 0.000 2.399 20 S HA -0.131 4.340 4.470 0.002 0.000 0.231 20 S C 2.083 176.713 174.600 0.050 0.000 1.022 20 S CA 1.689 59.913 58.200 0.039 0.000 0.983 20 S CB -0.724 62.486 63.200 0.018 0.000 0.803 20 S HN 0.193 nan 8.310 nan 0.000 0.480 21 T N 2.900 117.491 114.554 0.061 0.000 2.737 21 T HA 0.047 4.398 4.350 0.002 0.000 0.265 21 T C 1.705 176.522 174.700 0.196 0.000 1.038 21 T CA 1.290 63.465 62.100 0.126 0.000 1.144 21 T CB -0.584 68.356 68.868 0.119 0.000 0.866 21 T HN 0.322 nan 8.240 nan 0.000 0.434 22 L N 1.508 122.791 121.223 0.099 0.000 2.017 22 L HA -0.030 4.311 4.340 0.002 0.000 0.208 22 L C 2.441 179.312 176.870 0.002 0.000 1.073 22 L CA 1.519 56.382 54.840 0.037 0.000 0.745 22 L CB -0.879 41.187 42.059 0.011 0.000 0.894 22 L HN 0.056 nan 8.230 nan 0.000 0.432 23 V N 0.456 120.384 119.914 0.025 0.000 2.252 23 V HA -0.285 3.836 4.120 0.002 0.000 0.249 23 V C 2.635 178.749 176.094 0.033 0.000 1.056 23 V CA 2.054 64.362 62.300 0.014 0.000 1.022 23 V CB -1.685 30.171 31.823 0.054 0.000 0.641 23 V HN 0.667 nan 8.190 nan 0.000 0.445 24 G N -0.621 108.252 108.800 0.122 0.000 2.422 24 G HA2 -0.324 3.637 3.960 0.002 0.000 0.218 24 G HA3 -0.324 3.637 3.960 0.002 0.000 0.218 24 G C 1.669 176.758 174.900 0.315 0.000 1.146 24 G CA 1.023 46.263 45.100 0.234 0.000 0.769 24 G HN 0.412 nan 8.290 nan 0.000 0.547 25 R N 0.246 120.866 120.500 0.201 0.000 2.075 25 R HA 0.137 4.478 4.340 0.002 0.000 0.232 25 R C 2.560 178.724 176.300 -0.226 0.000 1.126 25 R CA 1.014 57.005 56.100 -0.181 0.000 0.963 25 R CB -0.743 29.426 30.300 -0.219 0.000 0.858 25 R HN 0.397 nan 8.270 nan 0.000 0.435 26 L N -0.118 120.943 121.223 -0.271 0.000 2.046 26 L HA -0.154 4.187 4.340 0.002 0.000 0.208 26 L C 2.237 178.848 176.870 -0.431 0.000 1.077 26 L CA 1.159 55.680 54.840 -0.531 0.000 0.747 26 L CB -0.392 41.107 42.059 -0.932 0.000 0.896 26 L HN 0.219 nan 8.230 nan 0.000 0.432 27 L N -1.126 119.978 121.223 -0.197 0.000 2.056 27 L HA -0.218 4.123 4.340 0.002 0.000 0.207 27 L C 2.598 179.449 176.870 -0.032 0.000 1.078 27 L CA 1.182 56.001 54.840 -0.035 0.000 0.749 27 L CB -0.363 41.741 42.059 0.075 0.000 0.901 27 L HN 0.364 nan 8.230 nan 0.000 0.433 28 M N -0.146 119.444 119.600 -0.018 0.000 2.132 28 M HA -0.193 4.289 4.480 0.002 0.000 0.263 28 M C 1.432 177.685 176.300 -0.078 0.000 1.065 28 M CA 1.847 57.141 55.300 -0.010 0.000 1.122 28 M CB -0.029 32.584 32.600 0.022 0.000 1.365 28 M HN 0.150 nan 8.290 nan 0.000 0.411 29 D N -0.094 120.224 120.400 -0.137 0.000 2.213 29 D HA -0.003 4.638 4.640 0.002 0.000 0.205 29 D C 1.434 177.663 176.300 -0.119 0.000 0.961 29 D CA 0.861 54.784 54.000 -0.129 0.000 0.853 29 D CB 0.129 40.839 40.800 -0.150 0.000 0.967 29 D HN 0.328 nan 8.370 nan 0.000 0.496 30 R N -0.263 120.150 120.500 -0.145 0.000 2.541 30 R HA 0.315 4.656 4.340 0.002 0.000 0.332 30 R C 0.923 177.087 176.300 -0.226 0.000 0.951 30 R CA -0.103 55.932 56.100 -0.109 0.000 1.136 30 R CB 0.791 31.108 30.300 0.028 0.000 1.449 30 R HN 0.031 nan 8.270 nan 0.000 0.531 31 G N -0.113 108.535 108.800 -0.253 0.000 2.574 31 G HA2 0.407 4.368 3.960 0.002 0.000 0.248 31 G HA3 0.407 4.368 3.960 0.002 0.000 0.248 31 G C -0.652 173.771 174.900 -0.795 0.000 1.422 31 G CA -0.279 44.576 45.100 -0.408 0.000 1.051 31 G HN 0.059 nan 8.290 nan 0.000 0.560 32 F N -0.111 119.945 119.950 0.176 0.000 2.593 32 F HA 0.381 4.909 4.527 0.002 0.000 0.336 32 F C -0.446 175.422 175.800 0.114 0.000 1.491 32 F CA -0.647 57.436 58.000 0.138 0.000 1.114 32 F CB 0.504 39.588 39.000 0.140 0.000 1.468 32 F HN -0.035 nan 8.300 nan 0.000 0.579 33 I N 1.758 122.440 120.570 0.186 0.000 2.529 33 I HA 0.092 4.263 4.170 0.002 0.000 0.284 33 I C 0.678 176.882 176.117 0.145 0.000 1.082 33 I CA -0.637 60.758 61.300 0.157 0.000 1.406 33 I CB 0.196 38.272 38.000 0.126 0.000 1.405 33 I HN 0.333 nan 8.210 nan 0.000 0.548 34 D N 5.431 125.909 120.400 0.130 0.000 2.449 34 D HA -0.061 4.580 4.640 0.002 0.000 0.236 34 D C 0.487 176.839 176.300 0.087 0.000 1.149 34 D CA -0.129 53.934 54.000 0.106 0.000 0.878 34 D CB 0.968 41.823 40.800 0.091 0.000 1.198 34 D HN 0.645 nan 8.370 nan 0.000 0.446 35 E N 0.350 120.594 120.200 0.073 0.000 2.118 35 E HA -0.225 4.126 4.350 0.002 0.000 0.195 35 E C 1.859 178.484 176.600 0.041 0.000 0.992 35 E CA 0.861 57.293 56.400 0.053 0.000 0.804 35 E CB 0.062 29.789 29.700 0.045 0.000 0.741 35 E HN 0.461 nan 8.360 nan 0.000 0.458 36 K N 0.667 121.095 120.400 0.048 0.000 2.009 36 K HA -0.160 4.161 4.320 0.002 0.000 0.210 36 K C 2.017 178.647 176.600 0.050 0.000 1.049 36 K CA 1.840 58.153 56.287 0.044 0.000 0.929 36 K CB -0.361 32.171 32.500 0.053 0.000 0.714 36 K HN 0.051 nan 8.250 nan 0.000 0.440 37 T N 1.212 115.814 114.554 0.080 0.000 2.777 37 T HA -0.074 4.277 4.350 0.002 0.000 0.266 37 T C 2.015 176.754 174.700 0.065 0.000 1.040 37 T CA 1.297 63.470 62.100 0.121 0.000 1.141 37 T CB -0.138 68.824 68.868 0.156 0.000 0.868 37 T HN 0.005 nan 8.240 nan 0.000 0.444 38 V N 1.349 121.292 119.914 0.049 0.000 2.261 38 V HA -0.174 3.947 4.120 0.002 0.000 0.246 38 V C 2.532 178.596 176.094 -0.050 0.000 1.047 38 V CA 1.622 63.932 62.300 0.018 0.000 1.015 38 V CB -0.480 31.365 31.823 0.037 0.000 0.642 38 V HN 0.276 nan 8.190 nan 0.000 0.446 39 K N 0.328 120.703 120.400 -0.041 0.000 2.063 39 K HA -0.168 4.153 4.320 0.002 0.000 0.208 39 K C 2.061 178.575 176.600 -0.143 0.000 1.048 39 K CA 1.479 57.726 56.287 -0.067 0.000 0.928 39 K CB -0.457 32.023 32.500 -0.033 0.000 0.713 39 K HN 0.575 nan 8.250 nan 0.000 0.442 40 E N -0.387 119.708 120.200 -0.175 0.000 2.153 40 E HA -0.139 4.213 4.350 0.002 0.000 0.194 40 E C 1.873 177.989 176.600 -0.806 0.000 0.988 40 E CA 0.974 57.175 56.400 -0.331 0.000 0.811 40 E CB -0.072 29.523 29.700 -0.175 0.000 0.746 40 E HN 0.348 nan 8.360 nan 0.000 0.466 41 A N 1.403 123.764 122.820 -0.765 0.000 1.872 41 A HA -0.191 4.130 4.320 0.002 0.000 0.214 41 A C 1.882 179.234 177.584 -0.388 0.000 1.187 41 A CA 1.177 52.717 52.037 -0.828 0.000 0.614 41 A CB -0.292 18.572 19.000 -0.227 0.000 0.826 41 A HN 0.128 nan 8.150 nan 0.000 0.442 42 E N -0.454 119.612 120.200 -0.224 0.000 2.153 42 E HA -0.200 4.151 4.350 0.002 0.000 0.194 42 E C 1.984 178.509 176.600 -0.126 0.000 0.988 42 E CA 1.094 57.421 56.400 -0.122 0.000 0.811 42 E CB -0.102 29.552 29.700 -0.075 0.000 0.746 42 E HN 0.811 nan 8.360 nan 0.000 0.466 43 E N 0.873 120.969 120.200 -0.173 0.000 2.047 43 E HA -0.180 4.171 4.350 0.002 0.000 0.191 43 E C 2.106 178.633 176.600 -0.122 0.000 0.987 43 E CA 0.923 57.245 56.400 -0.131 0.000 0.799 43 E CB -0.054 29.564 29.700 -0.137 0.000 0.752 43 E HN 0.205 nan 8.360 nan 0.000 0.449 44 A N 1.321 124.016 122.820 -0.208 0.000 1.940 44 A HA -0.140 4.181 4.320 0.002 0.000 0.219 44 A C 2.393 179.962 177.584 -0.026 0.000 1.176 44 A CA 1.907 53.887 52.037 -0.095 0.000 0.631 44 A CB -0.785 18.155 19.000 -0.100 0.000 0.814 44 A HN 0.425 nan 8.150 nan 0.000 0.446 45 A N -0.438 122.354 122.820 -0.047 0.000 1.902 45 A HA -0.173 4.148 4.320 0.002 0.000 0.217 45 A C 2.151 179.732 177.584 -0.004 0.000 1.181 45 A CA 1.836 53.871 52.037 -0.004 0.000 0.623 45 A CB -0.445 18.552 19.000 -0.005 0.000 0.818 45 A HN 0.506 nan 8.150 nan 0.000 0.443 46 K N -0.151 120.236 120.400 -0.021 0.000 1.991 46 K HA -0.180 4.141 4.320 0.002 0.000 0.212 46 K C 2.119 178.716 176.600 -0.004 0.000 1.049 46 K CA 1.854 58.133 56.287 -0.014 0.000 0.932 46 K CB -0.267 32.219 32.500 -0.022 0.000 0.717 46 K HN 0.448 nan 8.250 nan 0.000 0.441 47 K N 0.644 121.042 120.400 -0.004 0.000 2.089 47 K HA -0.161 4.160 4.320 0.002 0.000 0.210 47 K C 2.126 178.735 176.600 0.015 0.000 1.048 47 K CA 1.288 57.579 56.287 0.007 0.000 0.926 47 K CB -0.161 32.346 32.500 0.013 0.000 0.714 47 K HN 0.168 nan 8.250 nan 0.000 0.448 48 L N -0.451 120.785 121.223 0.021 0.000 2.341 48 L HA 0.025 4.366 4.340 0.002 0.000 0.214 48 L C 0.980 177.863 176.870 0.020 0.000 1.115 48 L CA 0.506 55.362 54.840 0.026 0.000 0.820 48 L CB -0.191 41.892 42.059 0.039 0.000 0.944 48 L HN 0.508 nan 8.230 nan 0.000 0.452 49 G N 1.409 110.218 108.800 0.015 0.000 2.225 49 G HA2 -0.302 3.659 3.960 0.002 0.000 0.264 49 G HA3 -0.302 3.659 3.960 0.002 0.000 0.264 49 G C 0.048 174.958 174.900 0.016 0.000 1.060 49 G CA 0.255 45.362 45.100 0.012 0.000 0.833 49 G HN 0.359 nan 8.290 nan 0.000 0.498 50 K N -0.711 119.703 120.400 0.023 0.000 2.565 50 K HA 0.371 4.692 4.320 0.002 0.000 0.249 50 K C 0.898 177.520 176.600 0.036 0.000 0.958 50 K CA -0.729 55.576 56.287 0.030 0.000 0.806 50 K CB 1.379 33.901 32.500 0.037 0.000 1.194 50 K HN 0.028 nan 8.250 nan 0.000 0.434 51 E N 1.238 121.458 120.200 0.032 0.000 2.085 51 E HA -0.175 4.176 4.350 0.002 0.000 0.194 51 E C 1.236 177.876 176.600 0.067 0.000 0.994 51 E CA 2.394 58.815 56.400 0.035 0.000 0.801 51 E CB 0.127 29.839 29.700 0.019 0.000 0.743 51 E HN 0.597 nan 8.360 nan 0.000 0.453 52 S N -0.047 115.703 115.700 0.083 0.000 2.469 52 S HA -0.204 4.267 4.470 0.002 0.000 0.238 52 S C 1.886 176.580 174.600 0.156 0.000 0.998 52 S CA 1.201 59.482 58.200 0.135 0.000 0.957 52 S CB -0.317 62.956 63.200 0.122 0.000 0.764 52 S HN 0.295 nan 8.310 nan 0.000 0.514 53 E N 2.046 122.314 120.200 0.113 0.000 2.204 53 E HA -0.094 4.257 4.350 0.002 0.000 0.195 53 E C 1.794 178.491 176.600 0.162 0.000 0.990 53 E CA 1.303 57.775 56.400 0.121 0.000 0.821 53 E CB -0.334 29.423 29.700 0.094 0.000 0.750 53 E HN 0.664 nan 8.360 nan 0.000 0.477 54 K N -0.646 119.838 120.400 0.140 0.000 2.026 54 K HA -0.132 4.189 4.320 0.002 0.000 0.208 54 K C 1.965 178.721 176.600 0.260 0.000 1.048 54 K CA 1.397 57.768 56.287 0.140 0.000 0.929 54 K CB -0.397 32.154 32.500 0.086 0.000 0.713 54 K HN 0.152 nan 8.250 nan 0.000 0.439 55 F N 1.788 121.783 119.950 0.075 0.000 2.146 55 F HA -0.099 4.429 4.527 0.002 0.000 0.298 55 F C 2.186 178.038 175.800 0.087 0.000 1.096 55 F CA 1.038 59.079 58.000 0.069 0.000 1.275 55 F CB -0.757 38.269 39.000 0.042 0.000 1.008 55 F HN -0.019 nan 8.300 nan 0.000 0.480 56 A N -0.364 122.462 122.820 0.009 0.000 1.933 56 A HA -0.227 4.095 4.320 0.002 0.000 0.218 56 A C 2.215 179.780 177.584 -0.032 0.000 1.175 56 A CA 1.610 53.582 52.037 -0.108 0.000 0.628 56 A CB -1.582 17.412 19.000 -0.011 0.000 0.814 56 A HN 0.449 nan 8.150 nan 0.000 0.444 57 F N 0.387 120.313 119.950 -0.040 0.000 2.084 57 F HA -0.082 4.446 4.527 0.002 0.000 0.296 57 F C 1.993 177.782 175.800 -0.018 0.000 1.111 57 F CA 1.602 59.592 58.000 -0.017 0.000 1.224 57 F CB -0.274 38.735 39.000 0.014 0.000 0.991 57 F HN 0.127 nan 8.300 nan 0.000 0.471 58 L N -0.271 121.136 121.223 0.307 0.000 2.042 58 L HA -0.278 4.063 4.340 0.002 0.000 0.210 58 L C 2.517 179.413 176.870 0.043 0.000 1.076 58 L CA 1.263 56.232 54.840 0.214 0.000 0.749 58 L CB -0.867 41.345 42.059 0.256 0.000 0.893 58 L HN 0.229 nan 8.230 nan 0.000 0.432 59 L N -0.517 120.644 121.223 -0.103 0.000 2.043 59 L HA -0.284 4.057 4.340 0.002 0.000 0.212 59 L C 2.302 179.094 176.870 -0.130 0.000 1.075 59 L CA 1.330 56.059 54.840 -0.186 0.000 0.752 59 L CB -0.610 41.214 42.059 -0.392 0.000 0.891 59 L HN 0.339 nan 8.230 nan 0.000 0.432 60 D N -0.578 119.725 120.400 -0.161 0.000 2.144 60 D HA -0.124 4.517 4.640 0.002 0.000 0.200 60 D C 2.364 178.580 176.300 -0.141 0.000 0.978 60 D CA 0.790 54.687 54.000 -0.170 0.000 0.833 60 D CB -0.016 40.634 40.800 -0.249 0.000 0.961 60 D HN 0.154 nan 8.370 nan 0.000 0.470 61 R N 0.504 120.926 120.500 -0.131 0.000 2.096 61 R HA -0.013 4.328 4.340 0.002 0.000 0.235 61 R C 2.554 178.851 176.300 -0.004 0.000 1.127 61 R CA 0.267 56.335 56.100 -0.054 0.000 0.968 61 R CB -0.980 29.342 30.300 0.037 0.000 0.861 61 R HN 0.315 nan 8.270 nan 0.000 0.440 62 L N 0.609 121.836 121.223 0.007 0.000 2.056 62 L HA -0.118 4.223 4.340 0.002 0.000 0.207 62 L C 2.663 179.539 176.870 0.009 0.000 1.078 62 L CA 1.337 56.194 54.840 0.027 0.000 0.749 62 L CB -0.441 41.641 42.059 0.039 0.000 0.901 62 L HN 0.154 nan 8.230 nan 0.000 0.433 63 K N 0.545 120.934 120.400 -0.018 0.000 2.057 63 K HA -0.208 4.113 4.320 0.002 0.000 0.207 63 K C 1.899 178.492 176.600 -0.012 0.000 1.049 63 K CA 1.525 57.802 56.287 -0.018 0.000 0.931 63 K CB 0.043 32.518 32.500 -0.042 0.000 0.714 63 K HN 0.321 nan 8.250 nan 0.000 0.440 64 E N 0.334 120.519 120.200 -0.024 0.000 2.150 64 E HA -0.149 4.202 4.350 0.002 0.000 0.193 64 E C 0.581 177.183 176.600 0.003 0.000 0.985 64 E CA 0.519 56.908 56.400 -0.017 0.000 0.814 64 E CB 0.112 29.793 29.700 -0.032 0.000 0.752 64 E HN 0.272 nan 8.360 nan 0.000 0.466 78 R N 0.758 121.470 120.500 0.353 0.000 2.686 78 R HA 0.872 5.213 4.340 0.002 0.000 0.286 78 R C -1.028 175.605 176.300 0.555 0.000 0.969 78 R CA -0.481 55.870 56.100 0.418 0.000 0.898 78 R CB 2.253 32.789 30.300 0.394 0.000 1.183 78 R HN 0.146 nan 8.270 nan 0.000 0.456 79 F N -1.442 118.737 119.950 0.381 0.000 2.643 79 F HA 0.611 5.139 4.527 0.002 0.000 0.314 79 F C -1.013 174.994 175.800 0.346 0.000 1.096 79 F CA -1.101 57.009 58.000 0.182 0.000 0.953 79 F CB 1.807 40.840 39.000 0.055 0.000 1.345 79 F HN 0.364 nan 8.300 nan 0.000 0.468 80 E N 1.090 121.492 120.200 0.335 0.000 2.248 80 E HA 0.548 4.899 4.350 0.002 0.000 0.267 80 E C -1.173 175.531 176.600 0.174 0.000 0.877 80 E CA -0.700 55.790 56.400 0.151 0.000 0.759 80 E CB 2.228 31.980 29.700 0.087 0.000 1.182 80 E HN 0.930 nan 8.360 nan 0.000 0.418 81 T N 1.091 115.732 114.554 0.145 0.000 2.844 81 T HA 0.360 4.711 4.350 0.002 0.000 0.274 81 T C 0.924 175.622 174.700 -0.003 0.000 0.991 81 T CA -0.595 61.605 62.100 0.167 0.000 0.983 81 T CB 0.903 69.984 68.868 0.354 0.000 1.310 81 T HN 0.269 nan 8.240 nan 0.000 0.596 82 K N 0.387 120.788 120.400 0.001 0.000 2.032 82 K HA 0.035 4.356 4.320 0.002 0.000 0.209 82 K C 2.080 178.576 176.600 -0.174 0.000 1.048 82 K CA 1.678 57.921 56.287 -0.073 0.000 0.927 82 K CB -0.169 32.302 32.500 -0.048 0.000 0.712 82 K HN 0.542 nan 8.250 nan 0.000 0.441 83 K N -1.657 118.597 120.400 -0.242 0.000 2.354 83 K HA 0.133 4.455 4.320 0.002 0.000 0.194 83 K C -0.258 175.893 176.600 -0.749 0.000 1.045 83 K CA 0.219 56.180 56.287 -0.543 0.000 1.026 83 K CB 0.601 32.622 32.500 -0.799 0.000 0.866 83 K HN 0.023 nan 8.250 nan 0.000 0.530 84 Y N -1.198 118.966 120.300 -0.227 0.000 2.669 84 Y HA 0.412 4.964 4.550 0.002 0.000 0.335 84 Y C -0.681 174.884 175.900 -0.557 0.000 1.116 84 Y CA -1.461 56.373 58.100 -0.444 0.000 1.081 84 Y CB 0.999 39.012 38.460 -0.745 0.000 1.297 84 Y HN -0.275 nan 8.280 nan 0.000 0.484 85 F N 1.455 121.222 119.950 -0.306 0.000 2.449 85 F HA 0.555 5.083 4.527 0.002 0.000 0.342 85 F C -1.136 174.417 175.800 -0.410 0.000 1.127 85 F CA -0.995 56.877 58.000 -0.213 0.000 0.975 85 F CB 0.828 39.694 39.000 -0.222 0.000 1.146 85 F HN 0.175 nan 8.300 nan 0.000 0.444 86 F N 1.212 121.046 119.950 -0.192 0.000 2.469 86 F HA 0.557 5.085 4.527 0.001 0.000 0.332 86 F C 0.176 175.846 175.800 -0.216 0.000 1.103 86 F CA -0.707 57.060 58.000 -0.389 0.000 0.979 86 F CB 2.115 40.503 39.000 -1.020 0.000 1.137 86 F HN 0.182 nan 8.300 nan 0.000 0.463 87 T N 4.566 119.203 114.554 0.139 0.000 2.791 87 T HA 0.495 4.846 4.350 0.002 0.000 0.288 87 T C -0.129 174.675 174.700 0.174 0.000 0.999 87 T CA -0.445 61.748 62.100 0.155 0.000 0.952 87 T CB 0.596 69.531 68.868 0.113 0.000 0.938 87 T HN 0.293 nan 8.240 nan 0.000 0.444 88 I N 5.494 126.190 120.570 0.210 0.000 2.379 88 I HA 0.309 4.480 4.170 0.002 0.000 0.290 88 I C 0.760 176.949 176.117 0.121 0.000 1.063 88 I CA -0.398 61.017 61.300 0.192 0.000 1.351 88 I CB 0.193 38.332 38.000 0.231 0.000 1.410 88 I HN 0.588 nan 8.210 nan 0.000 0.505 89 I N 2.062 122.693 120.570 0.101 0.000 3.204 89 I HA 0.524 4.695 4.170 0.002 0.000 0.313 89 I C -0.271 175.869 176.117 0.039 0.000 1.082 89 I CA -0.934 60.407 61.300 0.068 0.000 1.033 89 I CB 0.832 38.880 38.000 0.080 0.000 1.304 89 I HN 0.246 nan 8.210 nan 0.000 0.536 90 D N 2.454 122.868 120.400 0.025 0.000 2.434 90 D HA 0.392 5.034 4.640 0.002 0.000 0.252 90 D C 0.031 176.381 176.300 0.082 0.000 1.185 90 D CA 0.527 54.505 54.000 -0.036 0.000 0.886 90 D CB 1.083 41.890 40.800 0.012 0.000 1.148 90 D HN 0.745 nan 8.370 nan 0.000 0.483 91 A N 4.677 127.462 122.820 -0.059 0.000 2.271 91 A HA 0.591 4.912 4.320 0.002 0.000 0.288 91 A C -2.159 175.158 177.584 -0.445 0.000 1.094 91 A CA -1.208 50.740 52.037 -0.148 0.000 0.828 91 A CB 0.243 19.198 19.000 -0.074 0.000 1.091 91 A HN 0.414 nan 8.150 nan 0.000 0.493 92 P HA 0.145 nan 4.420 nan 0.000 0.271 92 P C 0.771 177.804 177.300 -0.444 0.000 1.233 92 P CA 1.581 63.906 63.100 -1.293 0.000 0.795 92 P CB 0.295 31.389 31.700 -1.011 0.000 0.936 93 G N -0.922 107.687 108.800 -0.320 0.000 2.141 93 G HA2 -0.180 3.781 3.960 0.002 0.000 0.242 93 G HA3 -0.180 3.781 3.960 0.002 0.000 0.242 93 G C -0.171 174.483 174.900 -0.410 0.000 0.982 93 G CA 0.146 45.085 45.100 -0.268 0.000 0.662 93 G HN 0.737 nan 8.290 nan 0.000 0.527 94 H N -1.052 117.979 119.070 -0.065 0.000 2.670 94 H HA 0.667 5.224 4.556 0.002 0.000 0.361 94 H C 0.513 175.894 175.328 0.087 0.000 1.169 94 H CA -0.649 55.411 56.048 0.020 0.000 1.198 94 H CB 0.985 30.768 29.762 0.034 0.000 1.700 94 H HN 0.314 nan 8.280 nan 0.000 0.542 95 R N 1.216 121.829 120.500 0.188 0.000 2.522 95 R HA -0.028 4.313 4.340 0.002 0.000 0.284 95 R C -0.569 175.824 176.300 0.155 0.000 1.032 95 R CA 0.294 56.475 56.100 0.135 0.000 1.049 95 R CB -0.041 30.317 30.300 0.097 0.000 0.956 95 R HN 0.792 nan 8.270 nan 0.000 0.422 96 D N 2.898 123.373 120.400 0.126 0.000 3.079 96 D HA -0.267 4.374 4.640 0.002 0.000 0.214 96 D C 0.433 176.795 176.300 0.104 0.000 1.145 96 D CA 1.260 55.315 54.000 0.092 0.000 0.958 96 D CB -1.371 39.466 40.800 0.061 0.000 1.117 96 D HN 0.583 nan 8.370 nan 0.000 0.416 97 F N 1.311 121.288 119.950 0.045 0.000 2.043 97 F HA -0.287 4.241 4.527 0.001 0.000 0.297 97 F C 2.135 177.945 175.800 0.017 0.000 1.121 97 F CA 2.317 60.341 58.000 0.040 0.000 1.199 97 F CB -0.504 38.529 39.000 0.055 0.000 0.968 97 F HN 0.035 nan 8.300 nan 0.000 0.478 98 V N 0.856 120.653 119.914 -0.194 0.000 2.307 98 V HA -0.287 3.834 4.120 0.002 0.000 0.245 98 V C 2.475 178.445 176.094 -0.207 0.000 1.045 98 V CA 2.195 64.329 62.300 -0.277 0.000 1.024 98 V CB -0.981 30.806 31.823 -0.061 0.000 0.651 98 V HN 0.368 nan 8.190 nan 0.000 0.449 99 K N 0.930 121.268 120.400 -0.103 0.000 2.020 99 K HA -0.283 4.038 4.320 0.002 0.000 0.212 99 K C 1.905 178.437 176.600 -0.113 0.000 1.050 99 K CA 2.521 58.759 56.287 -0.081 0.000 0.929 99 K CB -0.420 32.063 32.500 -0.028 0.000 0.714 99 K HN 0.606 nan 8.250 nan 0.000 0.443 100 N N -0.190 118.443 118.700 -0.111 0.000 2.289 100 N HA -0.133 4.608 4.740 0.002 0.000 0.184 100 N C 1.846 177.266 175.510 -0.150 0.000 1.016 100 N CA 1.212 54.199 53.050 -0.105 0.000 0.872 100 N CB -0.027 38.420 38.487 -0.066 0.000 0.973 100 N HN 0.289 nan 8.380 nan 0.000 0.433 101 M N 0.128 119.589 119.600 -0.232 0.000 2.236 101 M HA -0.002 4.479 4.480 0.002 0.000 0.266 101 M C 1.895 178.060 176.300 -0.224 0.000 1.070 101 M CA 0.981 56.141 55.300 -0.233 0.000 1.137 101 M CB -0.072 32.328 32.600 -0.333 0.000 1.378 101 M HN 0.140 nan 8.290 nan 0.000 0.426 102 I N 0.289 120.723 120.570 -0.226 0.000 2.226 102 I HA -0.271 3.900 4.170 0.002 0.000 0.245 102 I C 2.541 178.496 176.117 -0.270 0.000 1.100 102 I CA 1.868 63.016 61.300 -0.254 0.000 1.374 102 I CB -0.566 37.318 38.000 -0.194 0.000 1.057 102 I HN 0.412 nan 8.210 nan 0.000 0.413 103 T N -2.119 112.322 114.554 -0.189 0.000 3.055 103 T HA 0.143 4.494 4.350 0.002 0.000 0.265 103 T C 1.596 176.215 174.700 -0.134 0.000 1.111 103 T CA 0.680 62.688 62.100 -0.154 0.000 1.118 103 T CB 0.233 69.043 68.868 -0.097 0.000 0.909 103 T HN 0.568 nan 8.240 nan 0.000 0.501 104 G N 0.604 109.325 108.800 -0.132 0.000 2.157 104 G HA2 -0.155 3.806 3.960 0.002 0.000 0.248 104 G HA3 -0.155 3.806 3.960 0.002 0.000 0.248 104 G C 1.062 175.937 174.900 -0.043 0.000 0.979 104 G CA 0.194 45.252 45.100 -0.071 0.000 0.650 104 G HN 1.063 nan 8.290 nan 0.000 0.529 105 A N -0.361 122.426 122.820 -0.054 0.000 2.015 105 A HA 0.501 4.822 4.320 0.002 0.000 0.219 105 A C 1.539 179.107 177.584 -0.026 0.000 1.163 105 A CA 2.209 54.225 52.037 -0.035 0.000 0.646 105 A CB -0.174 18.806 19.000 -0.034 0.000 0.806 105 A HN 2.132 nan 8.150 nan 0.000 0.448 106 S N -1.245 114.434 115.700 -0.036 0.000 2.653 106 S HA 0.580 5.051 4.470 0.002 0.000 0.268 106 S C -1.206 173.377 174.600 -0.028 0.000 1.153 106 S CA -0.710 57.479 58.200 -0.019 0.000 1.036 106 S CB 0.947 64.144 63.200 -0.006 0.000 1.103 106 S HN 0.233 nan 8.310 nan 0.000 0.466 107 Q N 1.645 121.444 119.800 -0.000 0.000 2.342 107 Q HA 0.808 5.149 4.340 0.002 0.000 0.267 107 Q C -0.675 175.345 176.000 0.034 0.000 1.038 107 Q CA -0.376 55.434 55.803 0.011 0.000 0.832 107 Q CB 2.165 30.926 28.738 0.038 0.000 1.323 107 Q HN 1.072 nan 8.270 nan 0.000 0.448 108 A N 2.472 125.320 122.820 0.045 0.000 2.289 108 A HA 0.297 4.618 4.320 0.002 0.000 0.298 108 A C -0.262 177.355 177.584 0.054 0.000 1.208 108 A CA -0.377 51.702 52.037 0.069 0.000 0.845 108 A CB 0.374 19.431 19.000 0.096 0.000 1.125 108 A HN 0.870 nan 8.150 nan 0.000 0.517 109 D N 1.148 121.579 120.400 0.051 0.000 2.277 109 D HA 0.296 4.937 4.640 0.002 0.000 0.209 109 D C 0.733 177.057 176.300 0.041 0.000 0.970 109 D CA 1.654 55.669 54.000 0.025 0.000 0.874 109 D CB 0.489 41.283 40.800 -0.010 0.000 0.982 109 D HN 0.696 nan 8.370 nan 0.000 0.504 110 A N -0.200 122.669 122.820 0.082 0.000 2.594 110 A HA 0.774 5.095 4.320 0.002 0.000 0.291 110 A C -1.534 176.109 177.584 0.098 0.000 1.105 110 A CA -0.307 51.787 52.037 0.095 0.000 0.694 110 A CB 1.953 21.038 19.000 0.142 0.000 1.291 110 A HN 0.051 nan 8.150 nan 0.000 0.410 111 A N 0.345 123.214 122.820 0.082 0.000 2.515 111 A HA 0.802 5.123 4.320 0.002 0.000 0.298 111 A C -1.260 176.348 177.584 0.039 0.000 1.059 111 A CA -0.346 51.735 52.037 0.072 0.000 0.698 111 A CB 0.978 20.032 19.000 0.090 0.000 1.289 111 A HN 0.821 nan 8.150 nan 0.000 0.404 112 I N 2.416 123.004 120.570 0.031 0.000 2.418 112 I HA 0.303 4.475 4.170 0.002 0.000 0.287 112 I C -0.765 175.363 176.117 0.018 0.000 1.008 112 I CA -0.476 60.827 61.300 0.005 0.000 1.104 112 I CB 1.718 39.720 38.000 0.004 0.000 1.264 112 I HN 0.531 nan 8.210 nan 0.000 0.438 113 L N 7.985 129.205 121.223 -0.006 0.000 2.262 113 L HA 0.488 4.829 4.340 0.002 0.000 0.288 113 L C -0.720 176.171 176.870 0.037 0.000 1.035 113 L CA -0.521 54.332 54.840 0.022 0.000 0.820 113 L CB 1.455 43.504 42.059 -0.017 0.000 1.204 113 L HN 0.294 nan 8.230 nan 0.000 0.424 114 V N 6.245 126.207 119.914 0.080 0.000 2.406 114 V HA 0.285 4.406 4.120 0.002 0.000 0.272 114 V C 0.176 176.381 176.094 0.184 0.000 1.043 114 V CA -0.440 61.927 62.300 0.110 0.000 0.915 114 V CB 1.591 33.482 31.823 0.114 0.000 0.988 114 V HN 0.502 nan 8.190 nan 0.000 0.466 115 V N 4.149 124.175 119.914 0.187 0.000 2.444 115 V HA 0.381 4.502 4.120 0.002 0.000 0.294 115 V C 0.244 176.420 176.094 0.136 0.000 1.022 115 V CA -0.387 62.075 62.300 0.268 0.000 0.850 115 V CB 1.994 33.960 31.823 0.237 0.000 0.992 115 V HN 0.869 nan 8.190 nan 0.000 0.426 116 S N 3.568 119.214 115.700 -0.091 0.000 2.523 116 S HA 0.495 4.966 4.470 0.002 0.000 0.275 116 S C 1.154 175.688 174.600 -0.109 0.000 1.281 116 S CA 0.149 58.173 58.200 -0.294 0.000 1.050 116 S CB 1.409 64.129 63.200 -0.802 0.000 0.937 116 S HN 1.004 nan 8.310 nan 0.000 0.492 117 A N 4.654 127.439 122.820 -0.059 0.000 2.169 117 A HA 0.201 4.522 4.320 0.002 0.000 0.212 117 A C 1.052 178.609 177.584 -0.045 0.000 1.153 117 A CA 0.175 52.188 52.037 -0.041 0.000 0.756 117 A CB -0.255 18.738 19.000 -0.012 0.000 0.813 117 A HN 0.807 nan 8.150 nan 0.000 0.471 118 K N 1.372 121.730 120.400 -0.070 0.000 2.489 118 K HA -0.003 4.318 4.320 0.002 0.000 0.278 118 K C 0.180 176.763 176.600 -0.027 0.000 1.000 118 K CA -0.124 56.128 56.287 -0.058 0.000 1.012 118 K CB 0.275 32.731 32.500 -0.073 0.000 0.903 118 K HN 0.279 nan 8.250 nan 0.000 0.485 119 K N 2.452 122.841 120.400 -0.019 0.000 2.511 119 K HA -0.118 4.204 4.320 0.002 0.000 0.280 119 K C 0.820 177.421 176.600 0.002 0.000 1.008 119 K CA 1.295 57.581 56.287 -0.001 0.000 1.050 119 K CB 0.032 32.526 32.500 -0.009 0.000 0.889 119 K HN 0.875 nan 8.250 nan 0.000 0.484 120 G N 3.539 112.348 108.800 0.015 0.000 2.550 120 G HA2 -0.372 3.589 3.960 0.002 0.000 0.233 120 G HA3 -0.372 3.589 3.960 0.002 0.000 0.233 120 G C 0.955 175.848 174.900 -0.013 0.000 1.170 120 G CA 0.525 45.623 45.100 -0.004 0.000 0.693 120 G HN 0.780 nan 8.290 nan 0.000 0.512 121 E N -0.507 119.689 120.200 -0.007 0.000 2.051 121 E HA -0.134 4.217 4.350 0.002 0.000 0.192 121 E C 2.042 178.643 176.600 0.002 0.000 0.991 121 E CA 1.495 57.890 56.400 -0.008 0.000 0.799 121 E CB -0.223 29.398 29.700 -0.132 0.000 0.748 121 E HN 0.702 nan 8.360 nan 0.000 0.449 122 Y N 2.324 122.563 120.300 -0.101 0.000 2.165 122 Y HA -0.242 4.309 4.550 0.002 0.000 0.286 122 Y C 1.854 177.719 175.900 -0.060 0.000 1.155 122 Y CA 1.921 59.990 58.100 -0.051 0.000 1.164 122 Y CB -0.134 38.284 38.460 -0.070 0.000 0.978 122 Y HN -0.061 nan 8.280 nan 0.000 0.513 123 E N 0.504 120.496 120.200 -0.346 0.000 2.077 123 E HA -0.129 4.222 4.350 0.002 0.000 0.193 123 E C 2.423 178.804 176.600 -0.365 0.000 0.989 123 E CA 1.436 57.599 56.400 -0.395 0.000 0.800 123 E CB -0.626 28.987 29.700 -0.146 0.000 0.746 123 E HN 0.565 nan 8.360 nan 0.000 0.452 124 A N 0.614 123.266 122.820 -0.280 0.000 1.877 124 A HA -0.087 4.234 4.320 0.002 0.000 0.216 124 A C 2.466 179.673 177.584 -0.630 0.000 1.186 124 A CA 1.820 53.659 52.037 -0.330 0.000 0.620 124 A CB -1.305 17.571 19.000 -0.206 0.000 0.822 124 A HN 0.359 nan 8.150 nan 0.000 0.443 125 G N -1.278 107.100 108.800 -0.705 0.000 2.418 125 G HA2 -0.169 3.792 3.960 0.002 0.000 0.217 125 G HA3 -0.169 3.792 3.960 0.002 0.000 0.217 125 G C 1.322 175.883 174.900 -0.565 0.000 1.158 125 G CA 1.203 45.806 45.100 -0.827 0.000 0.771 125 G HN 0.357 nan 8.290 nan 0.000 0.545 126 M N 1.789 121.038 119.600 -0.586 0.000 2.561 126 M HA 0.154 4.635 4.480 0.002 0.000 0.238 126 M C 1.465 177.505 176.300 -0.433 0.000 1.131 126 M CA -0.145 54.811 55.300 -0.574 0.000 1.046 126 M CB -0.472 31.691 32.600 -0.729 0.000 1.532 126 M HN 0.290 nan 8.290 nan 0.000 0.497 127 S N -0.559 114.924 115.700 -0.361 0.000 2.600 127 S HA 0.151 4.622 4.470 0.002 0.000 0.265 127 S C 1.421 175.912 174.600 -0.181 0.000 1.325 127 S CA -0.320 57.740 58.200 -0.234 0.000 1.002 127 S CB 1.453 64.536 63.200 -0.195 0.000 0.921 127 S HN 0.180 nan 8.310 nan 0.000 0.554 128 V N 0.947 120.799 119.914 -0.104 0.000 2.370 128 V HA -0.170 3.952 4.120 0.002 0.000 0.252 128 V C 1.913 177.973 176.094 -0.057 0.000 1.068 128 V CA 2.383 64.651 62.300 -0.054 0.000 1.061 128 V CB -0.841 30.973 31.823 -0.014 0.000 0.656 128 V HN 0.905 nan 8.190 nan 0.000 0.455 129 E N 0.340 120.499 120.200 -0.068 0.000 2.474 129 E HA 0.213 4.564 4.350 0.002 0.000 0.195 129 E C 1.042 177.607 176.600 -0.059 0.000 1.039 129 E CA 0.550 56.920 56.400 -0.049 0.000 0.881 129 E CB 0.185 29.865 29.700 -0.032 0.000 0.970 129 E HN 0.686 nan 8.360 nan 0.000 0.486 130 G N 1.055 109.781 108.800 -0.125 0.000 2.527 130 G HA2 0.032 3.993 3.960 0.002 0.000 0.248 130 G HA3 0.032 3.993 3.960 0.002 0.000 0.248 130 G C 0.478 175.298 174.900 -0.134 0.000 1.231 130 G CA -0.265 44.737 45.100 -0.164 0.000 0.838 130 G HN -0.053 nan 8.290 nan 0.000 0.570 131 Q N -0.019 119.785 119.800 0.007 0.000 2.451 131 Q HA 0.056 4.397 4.340 0.002 0.000 0.206 131 Q C 2.603 178.345 176.000 -0.429 0.000 0.947 131 Q CA 0.893 56.495 55.803 -0.335 0.000 0.937 131 Q CB 0.142 28.536 28.738 -0.573 0.000 1.025 131 Q HN 0.614 nan 8.270 nan 0.000 0.511 132 T N -0.261 114.119 114.554 -0.290 0.000 2.770 132 T HA -0.117 4.234 4.350 0.002 0.000 0.263 132 T C 1.695 176.260 174.700 -0.225 0.000 1.039 132 T CA 1.180 63.147 62.100 -0.222 0.000 1.142 132 T CB -0.057 68.676 68.868 -0.224 0.000 0.868 132 T HN 0.285 nan 8.240 nan 0.000 0.435 133 R N 1.130 121.427 120.500 -0.338 0.000 2.073 133 R HA -0.100 4.241 4.340 0.002 0.000 0.234 133 R C 2.427 178.670 176.300 -0.095 0.000 1.134 133 R CA 1.719 57.590 56.100 -0.382 0.000 0.952 133 R CB -0.204 29.834 30.300 -0.438 0.000 0.850 133 R HN 0.490 nan 8.270 nan 0.000 0.433 134 E N -0.624 119.523 120.200 -0.088 0.000 2.051 134 E HA -0.226 4.125 4.350 0.002 0.000 0.192 134 E C 1.678 178.394 176.600 0.193 0.000 0.991 134 E CA 1.359 57.777 56.400 0.030 0.000 0.799 134 E CB -0.016 29.680 29.700 -0.008 0.000 0.748 134 E HN 0.502 nan 8.360 nan 0.000 0.449 135 H N 0.119 119.194 119.070 0.009 0.000 2.462 135 H HA -0.001 4.556 4.556 0.001 0.000 0.292 135 H C 2.075 177.462 175.328 0.099 0.000 1.049 135 H CA 0.878 56.950 56.048 0.039 0.000 1.334 135 H CB -0.155 29.610 29.762 0.006 0.000 1.404 135 H HN 0.252 nan 8.280 nan 0.000 0.544 136 I N 0.012 120.716 120.570 0.223 0.000 2.252 136 I HA -0.219 3.952 4.170 0.002 0.000 0.245 136 I C 2.050 178.374 176.117 0.345 0.000 1.102 136 I CA 1.060 62.517 61.300 0.262 0.000 1.385 136 I CB -0.166 37.986 38.000 0.254 0.000 1.064 136 I HN 0.139 nan 8.210 nan 0.000 0.414 137 I N 0.105 120.816 120.570 0.235 0.000 2.226 137 I HA -0.294 3.877 4.170 0.002 0.000 0.245 137 I C 2.492 178.715 176.117 0.176 0.000 1.100 137 I CA 1.106 62.508 61.300 0.170 0.000 1.374 137 I CB -0.258 37.786 38.000 0.073 0.000 1.057 137 I HN 0.247 nan 8.210 nan 0.000 0.413 138 L N 1.260 122.594 121.223 0.184 0.000 2.046 138 L HA -0.121 4.220 4.340 0.002 0.000 0.208 138 L C 2.570 179.532 176.870 0.153 0.000 1.077 138 L CA 2.075 57.012 54.840 0.162 0.000 0.747 138 L CB -0.730 41.423 42.059 0.157 0.000 0.896 138 L HN 0.172 nan 8.230 nan 0.000 0.432 139 A N -0.533 122.410 122.820 0.204 0.000 1.978 139 A HA -0.267 4.054 4.320 0.002 0.000 0.220 139 A C 2.315 179.938 177.584 0.064 0.000 1.170 139 A CA 1.964 54.130 52.037 0.215 0.000 0.636 139 A CB -0.602 18.639 19.000 0.402 0.000 0.810 139 A HN 0.480 nan 8.150 nan 0.000 0.448 140 K N 0.238 120.665 120.400 0.046 0.000 1.985 140 K HA -0.139 4.182 4.320 0.002 0.000 0.210 140 K C 2.146 178.680 176.600 -0.111 0.000 1.047 140 K CA 2.587 58.744 56.287 -0.217 0.000 0.932 140 K CB -0.999 31.497 32.500 -0.007 0.000 0.716 140 K HN 0.509 nan 8.250 nan 0.000 0.439 141 T N -1.188 113.368 114.554 0.004 0.000 2.915 141 T HA -0.095 4.256 4.350 0.002 0.000 0.269 141 T C 1.796 176.504 174.700 0.014 0.000 1.071 141 T CA 1.317 63.429 62.100 0.020 0.000 1.132 141 T CB -0.245 68.657 68.868 0.057 0.000 0.878 141 T HN 0.214 nan 8.240 nan 0.000 0.479 142 M N 0.599 120.211 119.600 0.020 0.000 2.619 142 M HA 0.239 4.720 4.480 0.002 0.000 0.251 142 M C 1.797 178.094 176.300 -0.005 0.000 1.106 142 M CA 0.765 56.080 55.300 0.026 0.000 1.086 142 M CB -0.254 32.383 32.600 0.060 0.000 1.465 142 M HN 0.628 nan 8.290 nan 0.000 0.506 143 G N 1.670 110.432 108.800 -0.064 0.000 2.160 143 G HA2 -0.250 3.711 3.960 0.002 0.000 0.251 143 G HA3 -0.250 3.711 3.960 0.002 0.000 0.251 143 G C 0.086 174.933 174.900 -0.088 0.000 1.008 143 G CA -0.215 44.827 45.100 -0.096 0.000 0.724 143 G HN 0.469 nan 8.290 nan 0.000 0.514 144 L N 1.831 123.012 121.223 -0.070 0.000 2.480 144 L HA 0.207 4.548 4.340 0.002 0.000 0.243 144 L C 1.813 178.716 176.870 0.055 0.000 1.315 144 L CA 0.123 54.977 54.840 0.023 0.000 1.231 144 L CB 0.080 42.202 42.059 0.105 0.000 1.444 144 L HN 0.424 nan 8.230 nan 0.000 0.409 145 D N -0.051 120.336 120.400 -0.021 0.000 2.310 145 D HA -0.217 4.425 4.640 0.002 0.000 0.212 145 D C 0.850 177.269 176.300 0.199 0.000 0.965 145 D CA 0.863 54.900 54.000 0.061 0.000 0.879 145 D CB 0.260 41.052 40.800 -0.013 0.000 0.921 145 D HN 0.488 nan 8.370 nan 0.000 0.510 146 Q N 0.330 120.208 119.800 0.130 0.000 2.286 146 Q HA 0.193 4.534 4.340 0.002 0.000 0.281 146 Q C -0.239 175.803 176.000 0.070 0.000 0.897 146 Q CA -0.696 55.163 55.803 0.094 0.000 1.023 146 Q CB 0.396 29.174 28.738 0.066 0.000 1.151 146 Q HN 0.171 nan 8.270 nan 0.000 0.445 147 L N 1.339 122.633 121.223 0.118 0.000 2.540 147 L HA 0.062 4.403 4.340 0.002 0.000 0.276 147 L C -0.498 176.288 176.870 -0.140 0.000 1.212 147 L CA 0.868 55.723 54.840 0.025 0.000 0.893 147 L CB 0.319 42.406 42.059 0.046 0.000 1.138 147 L HN 0.182 nan 8.230 nan 0.000 0.491 148 I N 5.860 126.350 120.570 -0.135 0.000 2.339 148 I HA 0.249 4.420 4.170 0.002 0.000 0.290 148 I C -0.637 175.347 176.117 -0.222 0.000 0.994 148 I CA -0.744 60.432 61.300 -0.205 0.000 1.191 148 I CB 1.506 39.448 38.000 -0.097 0.000 1.343 148 I HN 0.232 nan 8.210 nan 0.000 0.458 149 V N 6.431 126.120 119.914 -0.375 0.000 2.333 149 V HA 0.415 4.536 4.120 0.002 0.000 0.274 149 V C 0.533 176.574 176.094 -0.088 0.000 1.028 149 V CA -0.553 61.554 62.300 -0.321 0.000 0.851 149 V CB 1.217 32.601 31.823 -0.731 0.000 1.000 149 V HN 0.814 nan 8.190 nan 0.000 0.456 150 A N 5.408 128.225 122.820 -0.004 0.000 2.366 150 A HA 0.581 4.902 4.320 0.002 0.000 0.322 150 A C -0.110 177.534 177.584 0.100 0.000 1.397 150 A CA -0.376 51.693 52.037 0.053 0.000 0.984 150 A CB 0.357 19.374 19.000 0.029 0.000 1.149 150 A HN 0.659 nan 8.150 nan 0.000 0.540 151 V N 4.523 124.540 119.914 0.171 0.000 2.341 151 V HA 0.021 4.142 4.120 0.002 0.000 0.248 151 V C 0.690 176.853 176.094 0.116 0.000 1.107 151 V CA -0.192 62.222 62.300 0.191 0.000 1.069 151 V CB -0.722 31.312 31.823 0.352 0.000 1.177 151 V HN 0.896 nan 8.190 nan 0.000 0.492 152 N N 3.403 122.146 118.700 0.071 0.000 2.379 152 N HA 0.253 4.994 4.740 0.002 0.000 0.260 152 N C 0.468 175.979 175.510 0.003 0.000 1.254 152 N CA -0.363 52.707 53.050 0.033 0.000 0.958 152 N CB 0.368 38.877 38.487 0.038 0.000 1.208 152 N HN 0.546 nan 8.380 nan 0.000 0.532 153 K N 0.183 120.576 120.400 -0.012 0.000 3.117 153 K HA -0.177 4.145 4.320 0.002 0.000 0.269 153 K C 0.378 176.933 176.600 -0.075 0.000 1.098 153 K CA 0.193 56.453 56.287 -0.045 0.000 0.785 153 K CB -1.064 31.399 32.500 -0.061 0.000 1.242 153 K HN 0.516 nan 8.250 nan 0.000 0.491 154 M N 0.716 120.281 119.600 -0.058 0.000 2.358 154 M HA -0.121 4.360 4.480 0.002 0.000 0.264 154 M C 1.769 177.828 176.300 -0.400 0.000 1.064 154 M CA 1.800 57.052 55.300 -0.080 0.000 1.093 154 M CB -0.674 31.974 32.600 0.080 0.000 1.401 154 M HN 0.345 nan 8.290 nan 0.000 0.440 155 D N -0.365 119.729 120.400 -0.511 0.000 2.348 155 D HA -0.124 4.517 4.640 0.002 0.000 0.216 155 D C 1.556 177.616 176.300 -0.400 0.000 0.970 155 D CA 0.715 54.237 54.000 -0.795 0.000 0.889 155 D CB -0.443 40.132 40.800 -0.376 0.000 0.912 155 D HN 0.372 nan 8.370 nan 0.000 0.524 156 L N 1.114 122.196 121.223 -0.235 0.000 2.667 156 L HA 0.143 4.484 4.340 0.002 0.000 0.232 156 L C 0.948 177.753 176.870 -0.109 0.000 1.138 156 L CA -0.168 54.589 54.840 -0.138 0.000 0.921 156 L CB -0.064 41.941 42.059 -0.090 0.000 1.180 156 L HN -0.008 nan 8.230 nan 0.000 0.487 157 T N -2.244 112.235 114.554 -0.125 0.000 2.766 157 T HA 0.215 4.566 4.350 0.002 0.000 0.295 157 T C 0.080 174.743 174.700 -0.063 0.000 1.024 157 T CA -0.460 61.593 62.100 -0.077 0.000 1.018 157 T CB 1.212 70.046 68.868 -0.057 0.000 1.002 157 T HN 0.122 nan 8.240 nan 0.000 0.532 158 E N 2.108 122.282 120.200 -0.042 0.000 2.186 158 E HA 0.340 4.691 4.350 0.002 0.000 0.255 158 E C -2.121 174.466 176.600 -0.021 0.000 0.881 158 E CA -1.805 54.578 56.400 -0.029 0.000 0.752 158 E CB 1.296 30.981 29.700 -0.025 0.000 1.176 158 E HN 0.615 nan 8.360 nan 0.000 0.421 159 P HA 0.255 nan 4.420 nan 0.000 0.274 159 P C -2.700 174.603 177.300 0.006 0.000 1.256 159 P CA -1.645 61.460 63.100 0.008 0.000 0.795 159 P CB 0.083 31.803 31.700 0.033 0.000 1.038 160 P HA -0.018 nan 4.420 nan 0.000 0.267 160 P C -0.755 176.581 177.300 0.060 0.000 1.200 160 P CA 0.572 63.609 63.100 -0.105 0.000 0.772 160 P CB -0.317 31.320 31.700 -0.105 0.000 0.855 161 Y N -1.125 119.252 120.300 0.130 0.000 3.477 161 Y HA -0.247 4.305 4.550 0.002 0.000 0.216 161 Y C 0.412 176.509 175.900 0.329 0.000 1.296 161 Y CA 0.375 58.632 58.100 0.261 0.000 1.535 161 Y CB -2.744 35.856 38.460 0.233 0.000 1.482 161 Y HN 0.359 nan 8.280 nan 0.000 0.597 162 D N 0.800 121.309 120.400 0.181 0.000 2.338 162 D HA 0.126 4.767 4.640 0.002 0.000 0.255 162 D C 1.257 177.377 176.300 -0.300 0.000 1.237 162 D CA 0.336 54.317 54.000 -0.032 0.000 0.883 162 D CB 0.655 41.424 40.800 -0.051 0.000 1.087 162 D HN 0.500 nan 8.370 nan 0.000 0.485 163 E N 3.702 123.404 120.200 -0.829 0.000 2.110 163 E HA -0.254 4.098 4.350 0.002 0.000 0.193 163 E C 1.509 177.773 176.600 -0.560 0.000 0.988 163 E CA 0.821 56.391 56.400 -1.383 0.000 0.804 163 E CB 0.227 28.940 29.700 -1.644 0.000 0.745 163 E HN 0.419 nan 8.360 nan 0.000 0.458 164 K N 0.573 120.758 120.400 -0.357 0.000 2.057 164 K HA -0.219 4.102 4.320 0.002 0.000 0.207 164 K C 2.314 178.804 176.600 -0.183 0.000 1.049 164 K CA 1.364 57.519 56.287 -0.220 0.000 0.931 164 K CB -0.093 32.311 32.500 -0.160 0.000 0.714 164 K HN -0.056 nan 8.250 nan 0.000 0.440 165 R N 0.262 120.666 120.500 -0.159 0.000 2.081 165 R HA -0.188 4.153 4.340 0.002 0.000 0.235 165 R C 2.199 178.412 176.300 -0.146 0.000 1.131 165 R CA 1.732 57.749 56.100 -0.138 0.000 0.960 165 R CB -1.149 29.094 30.300 -0.094 0.000 0.856 165 R HN 0.331 nan 8.270 nan 0.000 0.436 166 Y N 1.299 121.470 120.300 -0.215 0.000 2.114 166 Y HA -0.166 4.385 4.550 0.002 0.000 0.284 166 Y C 1.602 177.392 175.900 -0.184 0.000 1.143 166 Y CA 2.085 60.094 58.100 -0.152 0.000 1.135 166 Y CB -0.112 38.322 38.460 -0.044 0.000 0.980 166 Y HN 0.030 nan 8.280 nan 0.000 0.499 167 K N 0.174 120.398 120.400 -0.293 0.000 2.097 167 K HA -0.233 4.089 4.320 0.002 0.000 0.206 167 K C 2.146 178.538 176.600 -0.346 0.000 1.049 167 K CA 1.610 57.685 56.287 -0.353 0.000 0.933 167 K CB -0.289 32.102 32.500 -0.181 0.000 0.717 167 K HN 0.572 nan 8.250 nan 0.000 0.442 168 E N 1.530 121.559 120.200 -0.284 0.000 2.051 168 E HA -0.193 4.158 4.350 0.002 0.000 0.192 168 E C 2.025 178.429 176.600 -0.326 0.000 0.991 168 E CA 1.000 57.252 56.400 -0.247 0.000 0.799 168 E CB -0.059 29.520 29.700 -0.202 0.000 0.748 168 E HN 0.253 nan 8.360 nan 0.000 0.449 169 I N 0.789 121.080 120.570 -0.465 0.000 2.179 169 I HA -0.244 3.927 4.170 0.002 0.000 0.242 169 I C 2.520 178.392 176.117 -0.409 0.000 1.088 169 I CA 0.737 61.679 61.300 -0.595 0.000 1.357 169 I CB -0.150 37.451 38.000 -0.666 0.000 1.051 169 I HN 0.070 nan 8.210 nan 0.000 0.409 170 V N 0.846 120.404 119.914 -0.593 0.000 2.343 170 V HA -0.329 3.792 4.120 0.002 0.000 0.247 170 V C 2.251 177.970 176.094 -0.625 0.000 1.051 170 V CA 2.339 64.096 62.300 -0.904 0.000 1.036 170 V CB -0.640 30.483 31.823 -1.166 0.000 0.654 170 V HN 0.478 nan 8.190 nan 0.000 0.451 171 D N -0.445 119.712 120.400 -0.406 0.000 2.097 171 D HA -0.188 4.453 4.640 0.002 0.000 0.195 171 D C 2.287 178.523 176.300 -0.106 0.000 0.989 171 D CA 1.603 55.465 54.000 -0.229 0.000 0.827 171 D CB -0.117 40.579 40.800 -0.173 0.000 0.966 171 D HN 0.508 nan 8.370 nan 0.000 0.456 172 Q N -0.295 119.463 119.800 -0.071 0.000 2.020 172 Q HA -0.094 4.247 4.340 0.002 0.000 0.202 172 Q C 2.477 178.564 176.000 0.145 0.000 0.982 172 Q CA 1.240 57.078 55.803 0.060 0.000 0.838 172 Q CB -0.092 28.719 28.738 0.120 0.000 0.899 172 Q HN 0.220 nan 8.270 nan 0.000 0.423 173 V N 0.704 120.703 119.914 0.142 0.000 2.407 173 V HA -0.248 3.873 4.120 0.002 0.000 0.248 173 V C 2.233 178.494 176.094 0.280 0.000 1.055 173 V CA 1.836 64.284 62.300 0.248 0.000 1.049 173 V CB -0.447 31.572 31.823 0.327 0.000 0.662 173 V HN 0.292 nan 8.190 nan 0.000 0.455 174 S N -0.496 115.305 115.700 0.169 0.000 2.356 174 S HA -0.208 4.263 4.470 0.002 0.000 0.223 174 S C 1.998 176.679 174.600 0.135 0.000 1.032 174 S CA 1.534 59.824 58.200 0.151 0.000 1.005 174 S CB -0.248 62.947 63.200 -0.008 0.000 0.867 174 S HN 0.583 nan 8.310 nan 0.000 0.449 175 K N 0.296 120.764 120.400 0.113 0.000 2.057 175 K HA -0.094 4.227 4.320 0.002 0.000 0.207 175 K C 1.886 178.588 176.600 0.168 0.000 1.049 175 K CA 1.443 57.798 56.287 0.113 0.000 0.931 175 K CB -0.343 32.213 32.500 0.093 0.000 0.714 175 K HN 0.335 nan 8.250 nan 0.000 0.440 176 F N 1.725 121.741 119.950 0.111 0.000 2.095 176 F HA -0.218 4.311 4.527 0.003 0.000 0.298 176 F C 2.125 178.065 175.800 0.235 0.000 1.104 176 F CA 1.543 59.647 58.000 0.173 0.000 1.232 176 F CB -0.148 38.922 39.000 0.118 0.000 0.987 176 F HN -0.067 nan 8.300 nan 0.000 0.475 177 M N -0.058 119.668 119.600 0.210 0.000 2.080 177 M HA -0.247 4.234 4.480 0.002 0.000 0.260 177 M C 2.359 178.738 176.300 0.132 0.000 1.068 177 M CA 1.942 57.314 55.300 0.119 0.000 1.109 177 M CB -0.515 32.099 32.600 0.024 0.000 1.342 177 M HN 0.072 nan 8.290 nan 0.000 0.405 178 R N -0.024 120.542 120.500 0.109 0.000 2.096 178 R HA -0.119 4.222 4.340 0.002 0.000 0.235 178 R C 2.337 178.649 176.300 0.021 0.000 1.127 178 R CA 1.830 57.981 56.100 0.085 0.000 0.968 178 R CB -0.553 29.788 30.300 0.068 0.000 0.861 178 R HN 0.485 nan 8.270 nan 0.000 0.440 179 S N -0.642 115.039 115.700 -0.032 0.000 2.507 179 S HA -0.109 4.362 4.470 0.002 0.000 0.235 179 S C 0.976 175.366 174.600 -0.350 0.000 0.988 179 S CA 0.692 58.795 58.200 -0.161 0.000 0.944 179 S CB -0.055 63.048 63.200 -0.162 0.000 0.762 179 S HN 0.350 nan 8.310 nan 0.000 0.526 180 Y N 1.188 121.369 120.300 -0.198 0.000 2.681 180 Y HA 0.466 5.018 4.550 0.002 0.000 0.267 180 Y C 1.763 177.649 175.900 -0.022 0.000 1.166 180 Y CA -0.362 57.648 58.100 -0.149 0.000 1.209 180 Y CB 0.454 38.759 38.460 -0.260 0.000 1.161 180 Y HN 0.349 nan 8.280 nan 0.000 0.534 181 G N 0.196 109.039 108.800 0.072 0.000 2.245 181 G HA2 -0.370 3.591 3.960 0.002 0.000 0.264 181 G HA3 -0.370 3.591 3.960 0.002 0.000 0.264 181 G C 0.247 175.225 174.900 0.130 0.000 0.985 181 G CA -0.082 45.061 45.100 0.071 0.000 0.625 181 G HN 0.252 nan 8.290 nan 0.000 0.536 182 F N 2.771 122.753 119.950 0.054 0.000 2.504 182 F HA 0.252 4.781 4.527 0.002 0.000 0.365 182 F C 1.514 177.347 175.800 0.055 0.000 1.140 182 F CA 0.092 58.128 58.000 0.061 0.000 1.077 182 F CB -0.541 38.507 39.000 0.080 0.000 1.106 182 F HN 0.313 nan 8.300 nan 0.000 0.578 183 N N 2.628 121.514 118.700 0.310 0.000 2.161 183 N HA -0.387 4.354 4.740 0.002 0.000 0.199 183 N C 1.291 176.938 175.510 0.228 0.000 0.990 183 N CA 2.854 56.036 53.050 0.220 0.000 0.902 183 N CB -0.034 38.542 38.487 0.147 0.000 1.074 183 N HN 0.870 nan 8.380 nan 0.000 0.556 184 T N -2.252 112.476 114.554 0.290 0.000 10.716 184 T HA -0.316 4.035 4.350 0.002 0.000 0.368 184 T C 0.812 175.599 174.700 0.146 0.000 1.780 184 T CA 1.608 63.817 62.100 0.181 0.000 2.855 184 T CB -2.100 66.859 68.868 0.152 0.000 2.435 184 T HN 0.796 nan 8.240 nan 0.000 0.858 185 N N 0.659 119.436 118.700 0.128 0.000 2.205 185 N HA -0.086 4.655 4.740 0.002 0.000 0.186 185 N C 1.347 176.916 175.510 0.098 0.000 1.015 185 N CA 1.657 54.768 53.050 0.103 0.000 0.862 185 N CB -0.121 38.416 38.487 0.084 0.000 0.986 185 N HN 0.313 nan 8.380 nan 0.000 0.429 186 K N -0.069 120.393 120.400 0.103 0.000 2.373 186 K HA 0.289 4.610 4.320 0.002 0.000 0.202 186 K C -0.974 175.654 176.600 0.047 0.000 1.025 186 K CA -0.248 56.088 56.287 0.081 0.000 1.115 186 K CB 0.750 33.302 32.500 0.086 0.000 0.858 186 K HN 0.002 nan 8.250 nan 0.000 0.525 187 V N 2.583 122.521 119.914 0.041 0.000 2.498 187 V HA 0.312 4.433 4.120 0.002 0.000 0.279 187 V C 0.014 176.032 176.094 -0.126 0.000 1.048 187 V CA -0.489 61.763 62.300 -0.080 0.000 0.967 187 V CB 1.217 32.969 31.823 -0.118 0.000 0.988 187 V HN 0.151 nan 8.190 nan 0.000 0.473 188 R N 3.832 124.135 120.500 -0.329 0.000 2.534 188 R HA 0.568 4.910 4.340 0.002 0.000 0.301 188 R C -1.290 174.768 176.300 -0.403 0.000 0.961 188 R CA -0.503 55.346 56.100 -0.418 0.000 0.871 188 R CB 1.746 31.398 30.300 -1.080 0.000 1.170 188 R HN 0.478 nan 8.270 nan 0.000 0.446 189 F N 0.554 120.452 119.950 -0.086 0.000 2.470 189 F HA 0.643 5.171 4.527 0.001 0.000 0.329 189 F C 0.240 176.184 175.800 0.241 0.000 1.072 189 F CA -0.995 57.047 58.000 0.071 0.000 0.989 189 F CB 1.926 40.974 39.000 0.079 0.000 1.193 189 F HN 0.063 nan 8.300 nan 0.000 0.481 190 V N 4.145 124.280 119.914 0.368 0.000 2.752 190 V HA 0.527 4.648 4.120 0.002 0.000 0.302 190 V C -2.706 173.326 176.094 -0.102 0.000 1.133 190 V CA -2.127 60.210 62.300 0.062 0.000 0.919 190 V CB 2.607 34.532 31.823 0.169 0.000 1.026 190 V HN 0.524 nan 8.190 nan 0.000 0.429 191 P HA 0.409 nan 4.420 nan 0.000 0.281 191 P C -1.032 176.095 177.300 -0.289 0.000 1.252 191 P CA 0.083 62.907 63.100 -0.459 0.000 0.778 191 P CB 1.851 33.022 31.700 -0.881 0.000 0.895 192 V N 3.847 123.702 119.914 -0.100 0.000 3.159 192 V HA 0.405 4.526 4.120 0.002 0.000 0.308 192 V C -0.584 175.504 176.094 -0.010 0.000 1.190 192 V CA -0.802 61.456 62.300 -0.071 0.000 1.037 192 V CB 2.987 34.779 31.823 -0.052 0.000 1.060 192 V HN 0.202 nan 8.190 nan 0.000 0.437 193 V N 2.486 122.395 119.914 -0.009 0.000 2.439 193 V HA 0.422 4.543 4.120 0.002 0.000 0.277 193 V C 0.819 176.915 176.094 0.004 0.000 1.008 193 V CA 0.365 62.680 62.300 0.026 0.000 0.846 193 V CB 0.948 32.825 31.823 0.091 0.000 1.031 193 V HN 1.061 nan 8.190 nan 0.000 0.441 194 A N 6.264 129.095 122.820 0.019 0.000 1.892 194 A HA -0.057 4.264 4.320 0.002 0.000 0.218 194 A C -0.026 177.601 177.584 0.071 0.000 1.188 194 A CA 2.278 54.335 52.037 0.032 0.000 0.631 194 A CB -1.249 17.793 19.000 0.069 0.000 0.822 194 A HN 0.673 nan 8.150 nan 0.000 0.447 195 P HA -0.129 nan 4.420 nan 0.000 0.216 195 P C 1.636 178.967 177.300 0.052 0.000 1.150 195 P CA 2.038 65.291 63.100 0.254 0.000 0.837 195 P CB -0.083 31.741 31.700 0.208 0.000 0.786 196 S N -2.979 112.735 115.700 0.023 0.000 2.517 196 S HA 0.320 4.791 4.470 0.002 0.000 0.214 196 S C 1.642 176.240 174.600 -0.004 0.000 0.991 196 S CA 0.387 58.597 58.200 0.016 0.000 0.906 196 S CB -0.750 62.499 63.200 0.083 0.000 0.789 196 S HN 0.260 nan 8.310 nan 0.000 0.513 197 G N 1.249 109.972 108.800 -0.128 0.000 2.148 197 G HA2 -0.233 3.728 3.960 0.002 0.000 0.254 197 G HA3 -0.233 3.728 3.960 0.002 0.000 0.254 197 G C -0.446 174.115 174.900 -0.564 0.000 0.981 197 G CA 0.049 44.977 45.100 -0.288 0.000 0.670 197 G HN 0.539 nan 8.290 nan 0.000 0.528 198 D N 0.696 120.925 120.400 -0.284 0.000 2.434 198 D HA 0.385 5.026 4.640 0.002 0.000 0.252 198 D C 1.310 177.456 176.300 -0.256 0.000 1.185 198 D CA 0.603 54.456 54.000 -0.245 0.000 0.886 198 D CB 0.183 40.965 40.800 -0.030 0.000 1.148 198 D HN 0.244 nan 8.370 nan 0.000 0.483 199 N N 1.670 120.200 118.700 -0.284 0.000 2.828 199 N HA -0.213 4.528 4.740 0.002 0.000 0.248 199 N C 0.444 175.848 175.510 -0.176 0.000 1.044 199 N CA 0.793 53.734 53.050 -0.182 0.000 0.851 199 N CB -1.081 37.308 38.487 -0.163 0.000 1.136 199 N HN 0.503 nan 8.380 nan 0.000 0.572 200 I N -1.279 119.130 120.570 -0.269 0.000 3.196 200 I HA 0.021 4.192 4.170 0.002 0.000 0.248 200 I C 1.770 177.757 176.117 -0.216 0.000 1.105 200 I CA 1.394 62.568 61.300 -0.210 0.000 1.482 200 I CB -0.007 37.863 38.000 -0.217 0.000 1.400 200 I HN 0.201 nan 8.210 nan 0.000 0.464 201 T N -1.504 112.864 114.554 -0.311 0.000 3.044 201 T HA 0.267 4.618 4.350 0.002 0.000 0.260 201 T C 0.098 174.742 174.700 -0.093 0.000 1.019 201 T CA -0.251 61.741 62.100 -0.180 0.000 0.921 201 T CB -0.288 68.503 68.868 -0.129 0.000 1.053 201 T HN 0.425 nan 8.240 nan 0.000 0.533 202 H N -1.371 117.652 119.070 -0.079 0.000 3.037 202 H HA 0.462 5.019 4.556 0.002 0.000 0.336 202 H C -1.463 173.820 175.328 -0.075 0.000 1.323 202 H CA -1.189 54.814 56.048 -0.075 0.000 1.159 202 H CB 0.774 30.488 29.762 -0.079 0.000 1.882 202 H HN -0.202 nan 8.280 nan 0.000 0.535 203 K N 1.128 121.567 120.400 0.065 0.000 2.319 203 K HA 0.134 4.456 4.320 0.002 0.000 0.265 203 K C 0.364 176.985 176.600 0.034 0.000 1.000 203 K CA -0.240 56.047 56.287 -0.001 0.000 0.943 203 K CB 1.234 33.715 32.500 -0.031 0.000 0.950 203 K HN 0.580 nan 8.250 nan 0.000 0.485 204 S N 0.827 116.493 115.700 -0.057 0.000 2.508 204 S HA 0.121 4.592 4.470 0.002 0.000 0.284 204 S C 0.434 174.939 174.600 -0.157 0.000 1.192 204 S CA -0.529 57.610 58.200 -0.101 0.000 1.070 204 S CB 0.599 63.686 63.200 -0.188 0.000 1.004 204 S HN 0.450 nan 8.310 nan 0.000 0.493 205 E N 2.760 122.862 120.200 -0.163 0.000 2.474 205 E HA 0.114 4.465 4.350 0.002 0.000 0.195 205 E C 0.329 176.772 176.600 -0.261 0.000 1.039 205 E CA -0.079 56.215 56.400 -0.176 0.000 0.881 205 E CB 0.163 29.786 29.700 -0.128 0.000 0.970 205 E HN 0.552 nan 8.360 nan 0.000 0.486 206 N N 0.101 118.552 118.700 -0.415 0.000 2.220 206 N HA 0.136 4.877 4.740 0.002 0.000 0.195 206 N C 0.159 175.309 175.510 -0.600 0.000 1.123 206 N CA 0.363 53.017 53.050 -0.661 0.000 0.874 206 N CB 0.720 38.352 38.487 -1.426 0.000 0.995 206 N HN 0.136 nan 8.380 nan 0.000 0.498 207 M N 0.564 119.830 119.600 -0.557 0.000 2.693 207 M HA 0.259 4.740 4.480 0.002 0.000 0.224 207 M C 0.198 176.001 176.300 -0.827 0.000 1.149 207 M CA -0.268 54.501 55.300 -0.884 0.000 0.622 207 M CB 1.276 33.238 32.600 -1.064 0.000 1.443 207 M HN -0.348 nan 8.290 nan 0.000 0.431 208 K N 0.865 120.988 120.400 -0.463 0.000 2.280 208 K HA -0.078 4.243 4.320 0.002 0.000 0.202 208 K C 1.603 178.120 176.600 -0.139 0.000 1.047 208 K CA 1.393 57.541 56.287 -0.232 0.000 0.942 208 K CB -0.081 32.368 32.500 -0.084 0.000 0.739 208 K HN 0.712 nan 8.250 nan 0.000 0.457 209 W N -0.751 120.563 121.300 0.024 0.000 2.595 209 W HA 0.018 4.679 4.660 0.002 0.000 0.257 209 W C 0.047 176.611 176.519 0.075 0.000 1.267 209 W CA -0.454 56.916 57.345 0.042 0.000 1.300 209 W CB -0.784 28.710 29.460 0.056 0.000 1.120 209 W HN -0.070 nan 8.180 nan 0.000 0.618 210 Y N 4.033 124.117 120.300 -0.360 0.000 2.477 210 Y HA 0.296 4.847 4.550 0.002 0.000 0.349 210 Y C -0.060 175.748 175.900 -0.154 0.000 0.977 210 Y CA -0.834 57.114 58.100 -0.253 0.000 1.214 210 Y CB -0.233 37.827 38.460 -0.666 0.000 1.124 210 Y HN -0.125 nan 8.280 nan 0.000 0.521 211 N N 5.399 123.801 118.700 -0.498 0.000 3.228 211 N HA 0.323 5.064 4.740 0.002 0.000 0.289 211 N C -0.315 174.834 175.510 -0.602 0.000 1.419 211 N CA 0.017 52.796 53.050 -0.452 0.000 1.088 211 N CB 0.993 39.368 38.487 -0.187 0.000 1.357 211 N HN 0.883 nan 8.380 nan 0.000 0.504 212 G N 0.689 108.816 108.800 -1.121 0.000 2.727 212 G HA2 0.541 4.502 3.960 0.002 0.000 0.289 212 G HA3 0.541 4.502 3.960 0.002 0.000 0.289 212 G C -3.100 171.527 174.900 -0.454 0.000 1.418 212 G CA -0.982 43.692 45.100 -0.709 0.000 0.818 212 G HN -0.051 nan 8.290 nan 0.000 0.486 213 P HA 0.314 nan 4.420 nan 0.000 0.272 213 P C 0.206 177.371 177.300 -0.225 0.000 1.230 213 P CA 0.007 62.844 63.100 -0.438 0.000 0.788 213 P CB 0.784 31.870 31.700 -1.023 0.000 0.949 214 T N 1.191 115.642 114.554 -0.173 0.000 2.828 214 T HA 0.087 4.438 4.350 0.002 0.000 0.290 214 T C 1.434 176.114 174.700 -0.033 0.000 1.019 214 T CA -0.304 61.762 62.100 -0.057 0.000 1.031 214 T CB 0.105 68.929 68.868 -0.074 0.000 1.001 214 T HN 0.325 nan 8.240 nan 0.000 0.531 215 L N 1.920 123.164 121.223 0.035 0.000 2.012 215 L HA -0.104 4.237 4.340 0.002 0.000 0.210 215 L C 2.599 179.520 176.870 0.086 0.000 1.073 215 L CA 1.979 56.886 54.840 0.110 0.000 0.748 215 L CB -0.354 41.719 42.059 0.024 0.000 0.891 215 L HN 0.863 nan 8.230 nan 0.000 0.431 216 E N -0.285 119.922 120.200 0.011 0.000 2.077 216 E HA -0.288 4.063 4.350 0.002 0.000 0.193 216 E C 1.917 178.560 176.600 0.072 0.000 0.989 216 E CA 1.703 58.123 56.400 0.035 0.000 0.800 216 E CB -0.142 29.559 29.700 0.002 0.000 0.746 216 E HN 0.653 nan 8.360 nan 0.000 0.452 217 E N -0.685 119.519 120.200 0.006 0.000 2.153 217 E HA -0.191 4.160 4.350 0.002 0.000 0.194 217 E C 1.857 178.485 176.600 0.046 0.000 0.988 217 E CA 0.939 57.325 56.400 -0.022 0.000 0.811 217 E CB -0.125 29.494 29.700 -0.134 0.000 0.746 217 E HN 0.384 nan 8.360 nan 0.000 0.466 218 Y N 0.726 121.077 120.300 0.086 0.000 2.242 218 Y HA -0.103 4.448 4.550 0.003 0.000 0.291 218 Y C 2.079 178.054 175.900 0.125 0.000 1.137 218 Y CA 0.619 58.778 58.100 0.098 0.000 1.181 218 Y CB -0.336 38.173 38.460 0.082 0.000 0.989 218 Y HN 0.012 nan 8.280 nan 0.000 0.527 219 L N -0.396 120.993 121.223 0.276 0.000 2.083 219 L HA -0.245 4.096 4.340 0.002 0.000 0.209 219 L C 1.689 178.841 176.870 0.471 0.000 1.083 219 L CA 1.462 56.464 54.840 0.269 0.000 0.752 219 L CB -0.409 41.696 42.059 0.076 0.000 0.899 219 L HN 0.138 nan 8.230 nan 0.000 0.433 220 D N -0.648 119.975 120.400 0.371 0.000 2.348 220 D HA -0.127 4.514 4.640 0.002 0.000 0.216 220 D C 2.003 178.474 176.300 0.285 0.000 0.970 220 D CA 0.747 54.943 54.000 0.328 0.000 0.889 220 D CB 0.124 41.014 40.800 0.150 0.000 0.912 220 D HN 0.447 nan 8.370 nan 0.000 0.524 221 Q N -0.180 119.793 119.800 0.288 0.000 2.425 221 Q HA 0.132 4.474 4.340 0.002 0.000 0.204 221 Q C 0.514 176.672 176.000 0.262 0.000 0.933 221 Q CA -0.106 55.847 55.803 0.249 0.000 0.939 221 Q CB 0.656 29.564 28.738 0.284 0.000 1.044 221 Q HN 0.259 nan 8.270 nan 0.000 0.513 222 L N 2.052 123.465 121.223 0.317 0.000 2.490 222 L HA -0.025 4.316 4.340 0.002 0.000 0.274 222 L C 0.196 177.203 176.870 0.227 0.000 1.201 222 L CA 0.550 55.526 54.840 0.227 0.000 0.869 222 L CB 0.289 42.444 42.059 0.161 0.000 1.123 222 L HN 0.077 nan 8.230 nan 0.000 0.484 223 E N 3.001 123.283 120.200 0.137 0.000 2.231 223 E HA 0.423 4.774 4.350 0.002 0.000 0.277 223 E C -0.755 175.887 176.600 0.070 0.000 0.999 223 E CA -0.692 55.780 56.400 0.119 0.000 0.827 223 E CB 1.655 31.405 29.700 0.083 0.000 1.101 223 E HN 0.387 nan 8.360 nan 0.000 0.393 224 L N 4.082 125.354 121.223 0.082 0.000 2.436 224 L HA 0.282 4.623 4.340 0.002 0.000 0.265 224 L C -1.593 175.283 176.870 0.011 0.000 1.168 224 L CA -1.750 53.111 54.840 0.035 0.000 0.815 224 L CB -0.024 42.075 42.059 0.067 0.000 1.109 224 L HN 0.409 nan 8.230 nan 0.000 0.462 225 P HA 0.196 nan 4.420 nan 0.000 0.271 225 P C -2.558 174.722 177.300 -0.033 0.000 1.233 225 P CA -1.024 62.057 63.100 -0.032 0.000 0.789 225 P CB -0.498 31.172 31.700 -0.051 0.000 0.951 226 P HA 0.103 nan 4.420 nan 0.000 0.266 226 P C -0.107 177.163 177.300 -0.051 0.000 1.195 226 P CA 0.335 63.405 63.100 -0.050 0.000 0.768 226 P CB 0.303 31.958 31.700 -0.076 0.000 0.838 227 K N 4.365 124.745 120.400 -0.033 0.000 2.218 227 K HA 0.136 4.457 4.320 0.002 0.000 0.276 227 K C -1.758 174.824 176.600 -0.031 0.000 1.022 227 K CA -1.407 54.864 56.287 -0.026 0.000 0.946 227 K CB 0.096 32.589 32.500 -0.011 0.000 1.000 227 K HN 0.254 nan 8.250 nan 0.000 0.468 228 P HA -0.208 nan 4.420 nan 0.000 0.216 228 P C 1.378 178.680 177.300 0.003 0.000 1.150 228 P CA 0.715 63.806 63.100 -0.014 0.000 0.843 228 P CB 0.222 31.918 31.700 -0.006 0.000 0.787 229 V N 0.088 120.001 119.914 -0.001 0.000 2.720 229 V HA -0.194 3.927 4.120 0.002 0.000 0.256 229 V C 1.291 177.390 176.094 0.009 0.000 1.082 229 V CA 2.065 64.367 62.300 0.003 0.000 1.101 229 V CB -0.865 30.958 31.823 -0.000 0.000 0.693 229 V HN 0.094 nan 8.190 nan 0.000 0.479 230 D N -0.656 119.745 120.400 0.001 0.000 2.350 230 D HA 0.082 4.723 4.640 0.002 0.000 0.213 230 D C 0.824 177.126 176.300 0.005 0.000 1.031 230 D CA 0.251 54.252 54.000 0.001 0.000 0.861 230 D CB 0.297 41.091 40.800 -0.010 0.000 0.926 230 D HN 0.497 nan 8.370 nan 0.000 0.520 231 K N 1.184 121.591 120.400 0.012 0.000 2.090 231 K HA 0.330 4.651 4.320 0.002 0.000 0.250 231 K C -2.500 174.184 176.600 0.140 0.000 1.004 231 K CA -1.721 54.586 56.287 0.033 0.000 0.919 231 K CB 0.584 33.069 32.500 -0.024 0.000 1.045 231 K HN -0.225 nan 8.250 nan 0.000 0.471 232 P HA -0.092 nan 4.420 nan 0.000 0.266 232 P C -0.722 176.657 177.300 0.133 0.000 1.193 232 P CA -0.213 63.014 63.100 0.211 0.000 0.770 232 P CB 0.358 32.223 31.700 0.276 0.000 0.836 233 L N 4.167 125.395 121.223 0.008 0.000 2.490 233 L HA 0.161 4.502 4.340 0.002 0.000 0.274 233 L C 0.019 176.730 176.870 -0.265 0.000 1.201 233 L CA 1.151 55.890 54.840 -0.168 0.000 0.869 233 L CB -0.276 41.516 42.059 -0.445 0.000 1.123 233 L HN 0.254 nan 8.230 nan 0.000 0.484 234 R N 6.695 127.037 120.500 -0.263 0.000 2.510 234 R HA 0.517 4.858 4.340 0.002 0.000 0.287 234 R C -1.455 174.683 176.300 -0.270 0.000 1.084 234 R CA -0.389 55.512 56.100 -0.332 0.000 0.934 234 R CB 1.358 31.420 30.300 -0.397 0.000 1.201 234 R HN 0.711 nan 8.270 nan 0.000 0.431 235 I N 4.018 124.420 120.570 -0.280 0.000 2.521 235 I HA 0.283 4.454 4.170 0.002 0.000 0.277 235 I C -2.407 173.616 176.117 -0.156 0.000 1.054 235 I CA -2.026 59.153 61.300 -0.203 0.000 1.117 235 I CB 2.440 40.308 38.000 -0.220 0.000 1.217 235 I HN 0.079 nan 8.210 nan 0.000 0.469 236 P HA 0.126 nan 4.420 nan 0.000 0.271 236 P C -0.389 176.917 177.300 0.010 0.000 1.220 236 P CA -0.103 62.923 63.100 -0.123 0.000 0.768 236 P CB 0.439 32.079 31.700 -0.100 0.000 0.848 237 I N 3.874 124.470 120.570 0.044 0.000 2.471 237 I HA 0.055 4.226 4.170 0.002 0.000 0.286 237 I C 1.410 177.555 176.117 0.047 0.000 1.079 237 I CA 0.423 61.767 61.300 0.075 0.000 1.398 237 I CB 0.979 39.035 38.000 0.093 0.000 1.403 237 I HN 0.453 nan 8.210 nan 0.000 0.530 238 Q N 4.263 124.085 119.800 0.036 0.000 2.304 238 Q HA 0.140 4.481 4.340 0.002 0.000 0.204 238 Q C -0.355 175.621 176.000 -0.041 0.000 0.936 238 Q CA 1.373 57.182 55.803 0.011 0.000 0.878 238 Q CB 0.667 29.422 28.738 0.029 0.000 0.983 238 Q HN 0.622 nan 8.270 nan 0.000 0.516 239 D N -1.356 119.001 120.400 -0.072 0.000 2.583 239 D HA 0.399 5.041 4.640 0.002 0.000 0.248 239 D C -1.667 174.456 176.300 -0.295 0.000 1.209 239 D CA -0.482 53.376 54.000 -0.237 0.000 0.848 239 D CB 2.201 42.811 40.800 -0.317 0.000 1.431 239 D HN -0.070 nan 8.370 nan 0.000 0.436 240 V N 1.733 121.353 119.914 -0.492 0.000 2.668 240 V HA 0.512 4.633 4.120 0.002 0.000 0.304 240 V C -1.788 174.026 176.094 -0.468 0.000 1.071 240 V CA -0.294 61.797 62.300 -0.348 0.000 0.894 240 V CB 1.182 32.879 31.823 -0.211 0.000 1.008 240 V HN 0.502 nan 8.190 nan 0.000 0.425 241 Y N 2.978 123.225 120.300 -0.088 0.000 2.630 241 Y HA 0.741 5.292 4.550 0.002 0.000 0.337 241 Y C 0.449 176.305 175.900 -0.074 0.000 1.051 241 Y CA -0.706 57.354 58.100 -0.067 0.000 1.121 241 Y CB 2.486 40.915 38.460 -0.052 0.000 1.299 241 Y HN 0.615 nan 8.280 nan 0.000 0.498 242 S N 1.276 117.053 115.700 0.128 0.000 2.389 242 S HA 0.452 4.923 4.470 0.002 0.000 0.201 242 S C -1.218 173.408 174.600 0.043 0.000 1.422 242 S CA -0.712 57.514 58.200 0.044 0.000 1.216 242 S CB -0.306 62.899 63.200 0.007 0.000 1.130 242 S HN 0.380 nan 8.310 nan 0.000 0.465 243 I N 2.356 122.944 120.570 0.030 0.000 2.533 243 I HA 0.200 4.371 4.170 0.002 0.000 0.284 243 I C 1.142 177.260 176.117 0.001 0.000 1.109 243 I CA -0.053 61.250 61.300 0.005 0.000 1.412 243 I CB 0.606 38.597 38.000 -0.016 0.000 1.396 243 I HN 0.693 nan 8.210 nan 0.000 0.543 244 S N 4.651 120.350 115.700 -0.001 0.000 2.544 244 S HA 0.302 4.773 4.470 0.002 0.000 0.290 244 S C 1.282 175.880 174.600 -0.004 0.000 1.276 244 S CA 0.789 58.987 58.200 -0.003 0.000 1.075 244 S CB -0.056 63.142 63.200 -0.003 0.000 0.849 244 S HN 1.085 nan 8.310 nan 0.000 0.494 245 G N 3.166 111.964 108.800 -0.003 0.000 2.320 245 G HA2 -0.279 3.682 3.960 0.002 0.000 0.242 245 G HA3 -0.279 3.682 3.960 0.002 0.000 0.242 245 G C 0.761 175.661 174.900 0.000 0.000 1.033 245 G CA 0.397 45.496 45.100 -0.002 0.000 0.620 245 G HN 0.801 nan 8.290 nan 0.000 0.517 246 V N 0.227 120.141 119.914 -0.000 0.000 2.403 246 V HA 0.602 4.723 4.120 0.002 0.000 0.239 246 V C 1.991 178.086 176.094 0.001 0.000 1.041 246 V CA 2.349 64.651 62.300 0.003 0.000 1.051 246 V CB -0.337 31.487 31.823 0.001 0.000 0.704 246 V HN 2.179 nan 8.190 nan 0.000 0.472 247 G N -0.242 108.556 108.800 -0.003 0.000 2.297 247 G HA2 -0.104 3.857 3.960 0.002 0.000 0.209 247 G HA3 -0.104 3.857 3.960 0.002 0.000 0.209 247 G C -0.304 174.585 174.900 -0.018 0.000 1.267 247 G CA -0.239 44.855 45.100 -0.011 0.000 1.127 247 G HN 0.168 nan 8.290 nan 0.000 0.498 248 T N 0.656 115.186 114.554 -0.039 0.000 2.779 248 T HA 0.457 4.808 4.350 0.002 0.000 0.296 248 T C -0.050 174.603 174.700 -0.079 0.000 0.938 248 T CA 0.775 62.833 62.100 -0.070 0.000 1.119 248 T CB 1.193 69.988 68.868 -0.123 0.000 0.891 248 T HN 1.681 nan 8.240 nan 0.000 0.526 249 V N 7.821 127.696 119.914 -0.065 0.000 2.380 249 V HA 0.425 4.546 4.120 0.002 0.000 0.272 249 V C -2.560 173.455 176.094 -0.131 0.000 1.011 249 V CA -2.380 59.858 62.300 -0.103 0.000 0.826 249 V CB 1.579 33.386 31.823 -0.026 0.000 1.040 249 V HN 0.611 nan 8.190 nan 0.000 0.441 250 P HA 0.341 nan 4.420 nan 0.000 0.274 250 P C -0.869 176.227 177.300 -0.340 0.000 1.231 250 P CA -0.070 62.822 63.100 -0.346 0.000 0.790 250 P CB 2.036 33.516 31.700 -0.367 0.000 0.951 251 V N 1.113 120.999 119.914 -0.047 0.000 2.656 251 V HA 0.855 4.976 4.120 0.002 0.000 0.307 251 V C 0.555 176.736 176.094 0.146 0.000 1.051 251 V CA -0.179 62.185 62.300 0.107 0.000 0.893 251 V CB 1.696 33.623 31.823 0.172 0.000 0.999 251 V HN 1.015 nan 8.190 nan 0.000 0.426 252 G N 3.146 112.069 108.800 0.204 0.000 2.506 252 G HA2 0.549 4.510 3.960 0.002 0.000 0.292 252 G HA3 0.549 4.510 3.960 0.002 0.000 0.292 252 G C -1.852 173.097 174.900 0.082 0.000 1.425 252 G CA -0.937 44.244 45.100 0.135 0.000 0.788 252 G HN 0.657 nan 8.290 nan 0.000 0.490 253 R N 0.320 120.837 120.500 0.027 0.000 2.346 253 R HA 0.582 4.923 4.340 0.002 0.000 0.311 253 R C -0.378 175.895 176.300 -0.046 0.000 0.983 253 R CA -0.519 55.575 56.100 -0.010 0.000 0.880 253 R CB 1.495 31.791 30.300 -0.006 0.000 1.100 253 R HN 0.322 nan 8.270 nan 0.000 0.453 254 V N 5.267 125.137 119.914 -0.074 0.000 2.485 254 V HA -0.012 4.109 4.120 0.002 0.000 0.287 254 V C 0.894 176.946 176.094 -0.070 0.000 1.022 254 V CA 0.422 62.657 62.300 -0.108 0.000 1.067 254 V CB 1.200 32.950 31.823 -0.121 0.000 0.967 254 V HN 0.886 nan 8.190 nan 0.000 0.479 255 E N 2.375 122.529 120.200 -0.075 0.000 2.251 255 E HA 0.112 4.463 4.350 0.002 0.000 0.194 255 E C 0.653 177.250 176.600 -0.005 0.000 0.964 255 E CA 0.600 56.978 56.400 -0.036 0.000 0.868 255 E CB 0.810 30.486 29.700 -0.041 0.000 0.828 255 E HN 0.834 nan 8.360 nan 0.000 0.481 256 S N -1.500 114.191 115.700 -0.014 0.000 2.596 256 S HA 0.667 5.138 4.470 0.002 0.000 0.270 256 S C 0.360 174.959 174.600 -0.002 0.000 1.155 256 S CA -0.403 57.819 58.200 0.037 0.000 0.827 256 S CB 2.294 65.603 63.200 0.181 0.000 1.130 256 S HN 0.318 nan 8.310 nan 0.000 0.467 257 G N -0.326 108.488 108.800 0.024 0.000 2.698 257 G HA2 0.102 4.063 3.960 0.002 0.000 0.233 257 G HA3 0.102 4.063 3.960 0.002 0.000 0.233 257 G C -1.005 173.891 174.900 -0.008 0.000 1.352 257 G CA -0.308 44.803 45.100 0.019 0.000 0.879 257 G HN 1.778 nan 8.290 nan 0.000 0.567 258 V N -0.037 119.888 119.914 0.018 0.000 2.733 258 V HA 0.656 4.778 4.120 0.002 0.000 0.306 258 V C -0.286 175.826 176.094 0.030 0.000 1.084 258 V CA -0.525 61.779 62.300 0.006 0.000 0.905 258 V CB 1.646 33.483 31.823 0.024 0.000 1.010 258 V HN 1.132 nan 8.190 nan 0.000 0.424 259 L N 4.473 125.659 121.223 -0.063 0.000 2.317 259 L HA 0.716 5.057 4.340 0.002 0.000 0.281 259 L C -0.411 176.437 176.870 -0.037 0.000 1.024 259 L CA 0.144 54.928 54.840 -0.093 0.000 0.810 259 L CB 1.333 43.222 42.059 -0.284 0.000 1.240 259 L HN 0.725 nan 8.230 nan 0.000 0.427 260 K N 3.463 123.871 120.400 0.013 0.000 2.422 260 K HA 0.526 4.847 4.320 0.002 0.000 0.251 260 K C -1.372 175.240 176.600 0.020 0.000 0.933 260 K CA -0.848 55.445 56.287 0.010 0.000 0.798 260 K CB 2.100 34.607 32.500 0.013 0.000 1.238 260 K HN 0.437 nan 8.250 nan 0.000 0.428 261 V N 3.042 122.969 119.914 0.021 0.000 2.617 261 V HA 0.122 4.244 4.120 0.002 0.000 0.304 261 V C 1.367 177.483 176.094 0.036 0.000 1.040 261 V CA 2.025 64.347 62.300 0.037 0.000 1.149 261 V CB 0.497 32.342 31.823 0.037 0.000 0.914 261 V HN 1.168 nan 8.190 nan 0.000 0.487 262 G N 3.842 112.671 108.800 0.048 0.000 2.232 262 G HA2 -0.184 3.777 3.960 0.002 0.000 0.226 262 G HA3 -0.184 3.777 3.960 0.002 0.000 0.226 262 G C -0.014 174.913 174.900 0.044 0.000 0.996 262 G CA -0.002 45.123 45.100 0.041 0.000 0.626 262 G HN 0.672 nan 8.290 nan 0.000 0.509 263 D N 1.463 121.895 120.400 0.054 0.000 2.419 263 D HA 0.432 5.073 4.640 0.002 0.000 0.236 263 D C 0.699 177.055 176.300 0.093 0.000 1.165 263 D CA 0.422 54.465 54.000 0.070 0.000 0.882 263 D CB 0.574 41.465 40.800 0.151 0.000 1.201 263 D HN 0.079 nan 8.370 nan 0.000 0.443 264 K N 1.426 121.882 120.400 0.093 0.000 2.130 264 K HA 0.539 4.860 4.320 0.002 0.000 0.268 264 K C 0.083 176.768 176.600 0.142 0.000 0.983 264 K CA -0.550 55.798 56.287 0.101 0.000 0.893 264 K CB 1.148 33.689 32.500 0.069 0.000 1.066 264 K HN 0.485 nan 8.250 nan 0.000 0.450 265 I N -1.638 118.997 120.570 0.109 0.000 2.969 265 I HA 0.531 4.702 4.170 0.002 0.000 0.307 265 I C -0.788 175.338 176.117 0.015 0.000 1.149 265 I CA -1.336 59.972 61.300 0.013 0.000 1.008 265 I CB 2.164 40.100 38.000 -0.107 0.000 1.232 265 I HN 0.144 nan 8.210 nan 0.000 0.435 266 V N 4.408 124.266 119.914 -0.092 0.000 2.604 266 V HA 0.572 4.693 4.120 0.002 0.000 0.305 266 V C -1.337 174.660 176.094 -0.163 0.000 1.043 266 V CA -0.397 61.896 62.300 -0.011 0.000 0.888 266 V CB 1.837 33.667 31.823 0.012 0.000 0.995 266 V HN 0.580 nan 8.190 nan 0.000 0.429 267 F N 7.243 127.194 119.950 0.001 0.000 2.404 267 F HA 0.656 5.184 4.527 0.001 0.000 0.354 267 F C 0.355 176.145 175.800 -0.018 0.000 1.122 267 F CA -0.516 57.480 58.000 -0.006 0.000 1.080 267 F CB 1.560 40.560 39.000 -0.000 0.000 1.131 267 F HN 0.223 nan 8.300 nan 0.000 0.471 268 M N 4.763 124.409 119.600 0.076 0.000 2.578 268 M HA 0.355 4.836 4.480 0.002 0.000 0.321 268 M C -1.853 174.479 176.300 0.053 0.000 1.182 268 M CA -2.694 52.632 55.300 0.043 0.000 0.965 268 M CB 1.682 34.271 32.600 -0.018 0.000 1.694 268 M HN 0.143 nan 8.290 nan 0.000 0.461 269 P HA 0.066 nan 4.420 nan 0.000 0.233 269 P C 0.959 178.283 177.300 0.041 0.000 1.167 269 P CA 0.724 63.845 63.100 0.034 0.000 0.770 269 P CB 0.060 31.777 31.700 0.028 0.000 0.837 270 A N 0.475 123.328 122.820 0.056 0.000 1.940 270 A HA 0.088 4.409 4.320 0.002 0.000 0.219 270 A C 1.884 179.500 177.584 0.053 0.000 1.176 270 A CA 1.636 53.702 52.037 0.048 0.000 0.631 270 A CB -1.775 17.252 19.000 0.045 0.000 0.814 270 A HN 0.283 nan 8.150 nan 0.000 0.446 271 G N -1.475 107.370 108.800 0.074 0.000 2.198 271 G HA2 -0.223 3.738 3.960 0.002 0.000 0.257 271 G HA3 -0.223 3.738 3.960 0.002 0.000 0.257 271 G C -0.126 174.821 174.900 0.078 0.000 1.042 271 G CA 0.462 45.600 45.100 0.065 0.000 0.791 271 G HN 0.436 nan 8.290 nan 0.000 0.502 272 K N 0.173 120.644 120.400 0.118 0.000 2.183 272 K HA 0.625 4.946 4.320 0.002 0.000 0.274 272 K C 0.325 177.041 176.600 0.193 0.000 1.009 272 K CA -0.691 55.662 56.287 0.109 0.000 0.888 272 K CB 2.169 34.696 32.500 0.045 0.000 1.078 272 K HN 0.110 nan 8.250 nan 0.000 0.459 273 V N 1.714 121.710 119.914 0.137 0.000 2.481 273 V HA 0.693 4.814 4.120 0.002 0.000 0.286 273 V C 0.771 176.961 176.094 0.160 0.000 1.042 273 V CA -0.492 61.901 62.300 0.156 0.000 0.928 273 V CB 1.564 33.444 31.823 0.096 0.000 0.986 273 V HN 0.922 nan 8.190 nan 0.000 0.462 274 G N 2.872 111.803 108.800 0.218 0.000 2.866 274 G HA2 0.670 4.631 3.960 0.002 0.000 0.289 274 G HA3 0.670 4.631 3.960 0.002 0.000 0.289 274 G C -1.620 173.387 174.900 0.179 0.000 1.396 274 G CA -0.427 44.789 45.100 0.193 0.000 0.848 274 G HN 0.612 nan 8.290 nan 0.000 0.515 275 E N -0.485 119.807 120.200 0.153 0.000 2.248 275 E HA 0.496 4.847 4.350 0.002 0.000 0.267 275 E C -1.001 175.691 176.600 0.153 0.000 0.877 275 E CA -0.646 55.833 56.400 0.131 0.000 0.759 275 E CB 2.490 32.242 29.700 0.088 0.000 1.182 275 E HN 0.201 nan 8.360 nan 0.000 0.418 276 V N 5.844 125.850 119.914 0.154 0.000 2.439 276 V HA 0.106 4.227 4.120 0.002 0.000 0.271 276 V C 1.162 177.330 176.094 0.123 0.000 1.040 276 V CA -0.132 62.272 62.300 0.175 0.000 1.002 276 V CB 0.735 32.643 31.823 0.141 0.000 1.000 276 V HN 0.654 nan 8.190 nan 0.000 0.477 277 R N 2.569 123.143 120.500 0.123 0.000 2.206 277 R HA 0.191 4.532 4.340 0.002 0.000 0.198 277 R C 0.655 177.004 176.300 0.082 0.000 0.986 277 R CA 0.601 56.752 56.100 0.086 0.000 1.029 277 R CB 0.277 30.619 30.300 0.069 0.000 0.966 277 R HN 0.799 nan 8.270 nan 0.000 0.487 278 S N -0.749 115.016 115.700 0.108 0.000 2.565 278 S HA 0.659 5.130 4.470 0.002 0.000 0.269 278 S C -0.604 174.079 174.600 0.138 0.000 1.153 278 S CA -0.916 57.342 58.200 0.097 0.000 0.835 278 S CB 2.027 65.273 63.200 0.077 0.000 1.122 278 S HN 0.004 nan 8.310 nan 0.000 0.462 279 I N 0.990 121.624 120.570 0.107 0.000 2.686 279 I HA 0.573 4.744 4.170 0.002 0.000 0.295 279 I C -1.223 174.943 176.117 0.082 0.000 1.114 279 I CA -0.536 60.834 61.300 0.117 0.000 1.038 279 I CB 2.424 40.456 38.000 0.055 0.000 1.238 279 I HN 1.004 nan 8.210 nan 0.000 0.420 280 E N 3.205 123.454 120.200 0.082 0.000 2.304 280 E HA 0.576 4.927 4.350 0.002 0.000 0.277 280 E C -1.706 174.897 176.600 0.006 0.000 0.898 280 E CA -0.729 55.700 56.400 0.047 0.000 0.764 280 E CB 2.084 31.814 29.700 0.051 0.000 1.216 280 E HN 0.363 nan 8.360 nan 0.000 0.419 281 T N 3.263 117.813 114.554 -0.006 0.000 2.786 281 T HA 0.297 4.648 4.350 0.002 0.000 0.283 281 T C -0.394 174.297 174.700 -0.016 0.000 0.992 281 T CA -0.611 61.440 62.100 -0.081 0.000 0.954 281 T CB 0.514 69.362 68.868 -0.032 0.000 0.934 281 T HN 0.664 nan 8.240 nan 0.000 0.440 282 H N 3.768 122.756 119.070 -0.137 0.000 2.903 282 H HA -0.161 4.396 4.556 0.002 0.000 0.285 282 H C 0.459 175.701 175.328 -0.143 0.000 1.231 282 H CA 1.125 57.060 56.048 -0.189 0.000 1.135 282 H CB -1.684 28.047 29.762 -0.050 0.000 1.328 282 H HN 1.043 nan 8.280 nan 0.000 0.388 283 H N -2.732 116.389 119.070 0.086 0.000 3.080 283 H HA -0.150 4.407 4.556 0.002 0.000 0.254 283 H C 0.534 175.894 175.328 0.053 0.000 1.179 283 H CA 1.515 57.593 56.048 0.051 0.000 1.144 283 H CB -1.991 27.796 29.762 0.042 0.000 1.261 283 H HN 0.665 nan 8.280 nan 0.000 0.333 284 T N -1.146 113.491 114.554 0.138 0.000 2.840 284 T HA 0.520 4.871 4.350 0.002 0.000 0.287 284 T C 0.083 174.827 174.700 0.073 0.000 0.991 284 T CA -1.160 61.000 62.100 0.100 0.000 0.964 284 T CB 2.816 71.740 68.868 0.093 0.000 0.954 284 T HN 0.120 nan 8.240 nan 0.000 0.438 285 K N 3.741 124.178 120.400 0.061 0.000 2.382 285 K HA 0.367 4.688 4.320 0.002 0.000 0.275 285 K C -0.116 176.511 176.600 0.044 0.000 1.009 285 K CA 0.043 56.361 56.287 0.052 0.000 0.970 285 K CB 0.674 33.202 32.500 0.046 0.000 0.934 285 K HN 0.669 nan 8.250 nan 0.000 0.479 286 M N 0.979 120.604 119.600 0.040 0.000 2.644 286 M HA 0.088 4.569 4.480 0.002 0.000 0.304 286 M C 0.523 176.838 176.300 0.026 0.000 1.215 286 M CA -0.599 54.720 55.300 0.031 0.000 0.871 286 M CB 1.862 34.477 32.600 0.025 0.000 1.740 286 M HN 0.541 nan 8.290 nan 0.000 0.464 287 D N 0.949 121.361 120.400 0.019 0.000 2.240 287 D HA 0.044 4.686 4.640 0.002 0.000 0.206 287 D C -0.283 176.022 176.300 0.009 0.000 0.963 287 D CA 1.151 55.160 54.000 0.016 0.000 0.863 287 D CB 0.630 41.438 40.800 0.014 0.000 0.973 287 D HN 0.502 nan 8.370 nan 0.000 0.501 288 K N -1.090 119.311 120.400 0.002 0.000 2.532 288 K HA 0.725 5.046 4.320 0.002 0.000 0.265 288 K C -1.706 174.880 176.600 -0.022 0.000 0.948 288 K CA -1.162 55.118 56.287 -0.012 0.000 0.842 288 K CB 2.092 34.589 32.500 -0.006 0.000 1.392 288 K HN -0.132 nan 8.250 nan 0.000 0.436 289 A N 2.156 124.946 122.820 -0.049 0.000 2.342 289 A HA 0.554 4.875 4.320 0.002 0.000 0.323 289 A C -0.994 176.554 177.584 -0.060 0.000 1.125 289 A CA -0.690 51.310 52.037 -0.061 0.000 0.785 289 A CB 1.051 19.987 19.000 -0.107 0.000 1.221 289 A HN 0.807 nan 8.150 nan 0.000 0.463 290 E N 1.364 121.539 120.200 -0.043 0.000 2.299 290 E HA 0.423 4.775 4.350 0.002 0.000 0.260 290 E C -2.688 173.890 176.600 -0.037 0.000 0.944 290 E CA -2.286 54.093 56.400 -0.034 0.000 0.815 290 E CB 1.208 30.898 29.700 -0.016 0.000 1.252 290 E HN 0.348 nan 8.360 nan 0.000 0.418 291 P HA -0.071 nan 4.420 nan 0.000 0.261 291 P C 0.452 177.741 177.300 -0.018 0.000 1.173 291 P CA 1.431 64.516 63.100 -0.025 0.000 0.760 291 P CB 0.246 31.938 31.700 -0.013 0.000 0.783 292 G N 2.208 110.996 108.800 -0.020 0.000 2.232 292 G HA2 -0.178 3.783 3.960 0.002 0.000 0.226 292 G HA3 -0.178 3.783 3.960 0.002 0.000 0.226 292 G C -0.183 174.707 174.900 -0.016 0.000 0.996 292 G CA -0.391 44.702 45.100 -0.011 0.000 0.626 292 G HN 0.507 nan 8.290 nan 0.000 0.509 293 D N 1.189 121.573 120.400 -0.027 0.000 2.343 293 D HA 0.248 4.889 4.640 0.002 0.000 0.255 293 D C 0.195 176.465 176.300 -0.050 0.000 1.187 293 D CA -0.033 53.945 54.000 -0.037 0.000 0.875 293 D CB 0.594 41.372 40.800 -0.037 0.000 1.136 293 D HN 0.427 nan 8.370 nan 0.000 0.469 294 N N 3.486 122.144 118.700 -0.070 0.000 2.406 294 N HA 0.257 4.998 4.740 0.002 0.000 0.251 294 N C -0.466 175.001 175.510 -0.072 0.000 1.069 294 N CA -0.361 52.651 53.050 -0.064 0.000 0.947 294 N CB 0.468 38.903 38.487 -0.087 0.000 1.111 294 N HN 0.436 nan 8.380 nan 0.000 0.497 295 I N -0.217 120.357 120.570 0.007 0.000 3.002 295 I HA 0.756 4.927 4.170 0.002 0.000 0.310 295 I C -0.064 176.173 176.117 0.199 0.000 1.087 295 I CA -1.163 60.174 61.300 0.062 0.000 1.017 295 I CB 2.169 40.205 38.000 0.060 0.000 1.226 295 I HN 0.306 nan 8.210 nan 0.000 0.443 296 G N 2.971 111.886 108.800 0.191 0.000 2.461 296 G HA2 0.727 4.688 3.960 0.002 0.000 0.323 296 G HA3 0.727 4.688 3.960 0.002 0.000 0.323 296 G C -1.363 173.720 174.900 0.305 0.000 1.229 296 G CA -0.526 44.684 45.100 0.184 0.000 0.941 296 G HN 0.673 nan 8.290 nan 0.000 0.477 297 F N 0.218 120.198 119.950 0.051 0.000 2.561 297 F HA 0.520 5.047 4.527 0.001 0.000 0.313 297 F C -0.620 175.224 175.800 0.074 0.000 1.126 297 F CA -2.135 55.896 58.000 0.052 0.000 0.918 297 F CB 1.461 40.486 39.000 0.042 0.000 1.199 297 F HN 0.422 nan 8.300 nan 0.000 0.444 298 N N 2.574 121.357 118.700 0.138 0.000 2.444 298 N HA 0.486 5.227 4.740 0.002 0.000 0.271 298 N C -1.606 173.975 175.510 0.119 0.000 1.069 298 N CA -0.159 52.928 53.050 0.062 0.000 0.965 298 N CB 1.359 39.880 38.487 0.056 0.000 1.092 298 N HN 0.561 nan 8.380 nan 0.000 0.476 299 V N 3.803 123.763 119.914 0.077 0.000 2.604 299 V HA 0.486 4.607 4.120 0.002 0.000 0.305 299 V C 0.104 176.234 176.094 0.059 0.000 1.043 299 V CA -0.933 61.448 62.300 0.135 0.000 0.888 299 V CB 1.639 33.594 31.823 0.220 0.000 0.995 299 V HN 0.652 nan 8.190 nan 0.000 0.429 300 R N 2.098 122.641 120.500 0.072 0.000 2.540 300 R HA 0.650 4.991 4.340 0.002 0.000 0.287 300 R C 1.117 177.437 176.300 0.034 0.000 0.980 300 R CA 0.190 56.312 56.100 0.036 0.000 0.966 300 R CB 1.320 31.644 30.300 0.040 0.000 1.106 300 R HN 1.144 nan 8.270 nan 0.000 0.480 301 G N 0.324 109.127 108.800 0.005 0.000 2.195 301 G HA2 -0.255 3.706 3.960 0.002 0.000 0.246 301 G HA3 -0.255 3.706 3.960 0.002 0.000 0.246 301 G C -0.262 174.623 174.900 -0.025 0.000 0.984 301 G CA 0.103 45.204 45.100 0.003 0.000 0.633 301 G HN 0.397 nan 8.290 nan 0.000 0.525 302 V N 1.351 121.218 119.914 -0.078 0.000 2.448 302 V HA 0.451 4.572 4.120 0.002 0.000 0.295 302 V C 0.249 176.228 176.094 -0.192 0.000 1.025 302 V CA -0.996 61.202 62.300 -0.170 0.000 0.859 302 V CB 1.754 33.351 31.823 -0.376 0.000 0.988 302 V HN 0.368 nan 8.190 nan 0.000 0.431 303 E N 3.256 123.361 120.200 -0.157 0.000 2.324 303 E HA 0.068 4.420 4.350 0.002 0.000 0.271 303 E C 0.809 177.302 176.600 -0.179 0.000 1.028 303 E CA -0.233 56.087 56.400 -0.133 0.000 0.890 303 E CB 1.050 30.694 29.700 -0.092 0.000 1.004 303 E HN 0.597 nan 8.360 nan 0.000 0.431 304 K N 3.347 123.650 120.400 -0.161 0.000 2.228 304 K HA -0.272 4.049 4.320 0.002 0.000 0.205 304 K C 1.108 177.620 176.600 -0.147 0.000 1.045 304 K CA 1.482 57.666 56.287 -0.171 0.000 0.931 304 K CB 0.170 32.595 32.500 -0.124 0.000 0.727 304 K HN 0.144 nan 8.250 nan 0.000 0.458 305 K N 1.263 121.594 120.400 -0.114 0.000 2.063 305 K HA -0.122 4.199 4.320 0.002 0.000 0.208 305 K C 1.277 177.822 176.600 -0.092 0.000 1.048 305 K CA 1.665 57.900 56.287 -0.088 0.000 0.928 305 K CB -0.182 32.278 32.500 -0.067 0.000 0.713 305 K HN 0.268 nan 8.250 nan 0.000 0.442 306 D N -0.049 120.282 120.400 -0.116 0.000 2.352 306 D HA 0.033 4.674 4.640 0.002 0.000 0.232 306 D C -0.224 176.001 176.300 -0.126 0.000 1.055 306 D CA 0.527 54.464 54.000 -0.105 0.000 0.891 306 D CB 0.089 40.825 40.800 -0.106 0.000 0.897 306 D HN 0.213 nan 8.370 nan 0.000 0.529 307 I N 0.918 121.394 120.570 -0.156 0.000 2.468 307 I HA 0.255 4.426 4.170 0.002 0.000 0.285 307 I C -0.021 176.048 176.117 -0.080 0.000 1.039 307 I CA -0.630 60.593 61.300 -0.129 0.000 1.074 307 I CB 1.700 39.529 38.000 -0.285 0.000 1.228 307 I HN -0.444 nan 8.210 nan 0.000 0.436 308 K N 4.699 125.083 120.400 -0.027 0.000 2.482 308 K HA 0.489 4.810 4.320 0.002 0.000 0.257 308 K C -0.707 175.881 176.600 -0.020 0.000 0.969 308 K CA -1.120 55.142 56.287 -0.043 0.000 0.842 308 K CB 2.875 35.352 32.500 -0.039 0.000 1.359 308 K HN 0.529 nan 8.250 nan 0.000 0.441 309 R N 0.058 120.530 120.500 -0.045 0.000 2.585 309 R HA 0.029 4.370 4.340 0.002 0.000 0.275 309 R C 0.699 176.994 176.300 -0.008 0.000 1.018 309 R CA 2.092 58.173 56.100 -0.031 0.000 1.072 309 R CB -0.160 30.105 30.300 -0.058 0.000 0.953 309 R HN 0.904 nan 8.270 nan 0.000 0.419 310 G N 2.688 111.507 108.800 0.032 0.000 2.258 310 G HA2 -0.236 3.725 3.960 0.002 0.000 0.233 310 G HA3 -0.236 3.725 3.960 0.002 0.000 0.233 310 G C -0.246 174.732 174.900 0.130 0.000 1.006 310 G CA 0.225 45.364 45.100 0.066 0.000 0.620 310 G HN 0.675 nan 8.290 nan 0.000 0.511 311 D N -0.020 120.429 120.400 0.081 0.000 2.371 311 D HA 0.557 5.198 4.640 0.002 0.000 0.242 311 D C 0.487 176.806 176.300 0.031 0.000 1.218 311 D CA 0.271 54.318 54.000 0.078 0.000 0.945 311 D CB 1.593 42.460 40.800 0.111 0.000 1.137 311 D HN 0.354 nan 8.370 nan 0.000 0.464 312 V N 0.665 120.558 119.914 -0.036 0.000 2.789 312 V HA 0.353 4.474 4.120 0.002 0.000 0.311 312 V C -0.136 175.830 176.094 -0.213 0.000 1.073 312 V CA -0.886 61.317 62.300 -0.162 0.000 0.921 312 V CB 2.223 33.876 31.823 -0.283 0.000 1.009 312 V HN 0.214 nan 8.190 nan 0.000 0.426 313 V N 2.762 122.499 119.914 -0.295 0.000 2.547 313 V HA 0.970 5.091 4.120 0.002 0.000 0.299 313 V C 0.617 176.473 176.094 -0.397 0.000 1.040 313 V CA 0.357 62.390 62.300 -0.444 0.000 0.913 313 V CB 1.662 33.178 31.823 -0.512 0.000 0.992 313 V HN 1.107 nan 8.190 nan 0.000 0.449 314 G N 2.020 110.589 108.800 -0.384 0.000 2.687 314 G HA2 0.501 4.462 3.960 0.002 0.000 0.291 314 G HA3 0.501 4.462 3.960 0.002 0.000 0.291 314 G C -1.439 173.268 174.900 -0.320 0.000 1.420 314 G CA -0.662 44.222 45.100 -0.360 0.000 0.796 314 G HN 0.566 nan 8.290 nan 0.000 0.485 315 H N 0.097 119.091 119.070 -0.127 0.000 2.511 315 H HA 0.257 4.814 4.556 0.002 0.000 0.346 315 H C -1.412 173.878 175.328 -0.063 0.000 1.128 315 H CA -1.658 54.338 56.048 -0.086 0.000 1.342 315 H CB 1.874 31.598 29.762 -0.062 0.000 1.470 315 H HN 0.087 nan 8.280 nan 0.000 0.546 316 P HA -0.149 nan 4.420 nan 0.000 0.217 316 P C 0.681 178.003 177.300 0.038 0.000 1.148 316 P CA 1.620 64.749 63.100 0.049 0.000 0.834 316 P CB 0.284 32.013 31.700 0.048 0.000 0.783 317 N N -1.531 117.197 118.700 0.046 0.000 2.396 317 N HA -0.019 4.722 4.740 0.002 0.000 0.180 317 N C 0.088 175.619 175.510 0.035 0.000 1.028 317 N CA 0.392 53.461 53.050 0.032 0.000 0.893 317 N CB -0.139 38.362 38.487 0.023 0.000 0.967 317 N HN 0.158 nan 8.380 nan 0.000 0.440 318 N N 0.980 119.703 118.700 0.039 0.000 2.765 318 N HA 0.241 4.982 4.740 0.002 0.000 0.277 318 N C -2.900 172.592 175.510 -0.029 0.000 1.750 318 N CA -0.848 52.217 53.050 0.025 0.000 0.827 318 N CB 1.612 40.130 38.487 0.052 0.000 1.200 318 N HN 0.022 nan 8.380 nan 0.000 0.494 319 P HA 0.214 nan 4.420 nan 0.000 0.271 319 P C -2.436 174.799 177.300 -0.108 0.000 1.216 319 P CA -0.837 62.224 63.100 -0.065 0.000 0.776 319 P CB 0.077 31.759 31.700 -0.029 0.000 0.881 320 P HA 0.014 nan 4.420 nan 0.000 0.264 320 P C -0.303 176.923 177.300 -0.124 0.000 1.193 320 P CA 0.505 63.476 63.100 -0.214 0.000 0.763 320 P CB -0.001 31.560 31.700 -0.231 0.000 0.810 321 T N 2.494 116.980 114.554 -0.113 0.000 2.928 321 T HA 0.168 4.519 4.350 0.002 0.000 0.305 321 T C 0.253 174.939 174.700 -0.024 0.000 1.035 321 T CA -0.054 62.022 62.100 -0.040 0.000 1.145 321 T CB 0.130 68.994 68.868 -0.006 0.000 0.963 321 T HN 0.036 nan 8.240 nan 0.000 0.545 322 V N 2.623 122.541 119.914 0.005 0.000 2.384 322 V HA 0.610 4.732 4.120 0.002 0.000 0.287 322 V C 0.331 176.456 176.094 0.051 0.000 1.020 322 V CA -1.144 61.169 62.300 0.023 0.000 0.850 322 V CB 1.337 33.174 31.823 0.022 0.000 0.987 322 V HN 1.087 nan 8.190 nan 0.000 0.436 323 A N 2.741 125.607 122.820 0.078 0.000 2.320 323 A HA 0.417 4.738 4.320 0.002 0.000 0.287 323 A C 0.746 178.411 177.584 0.136 0.000 1.181 323 A CA -0.225 51.897 52.037 0.141 0.000 0.831 323 A CB 0.398 19.550 19.000 0.253 0.000 1.102 323 A HN 0.962 nan 8.150 nan 0.000 0.513 324 D N 1.365 121.831 120.400 0.110 0.000 2.216 324 D HA 0.027 4.668 4.640 0.002 0.000 0.208 324 D C 0.547 176.894 176.300 0.078 0.000 0.960 324 D CA 1.262 55.307 54.000 0.077 0.000 0.861 324 D CB 0.296 41.130 40.800 0.056 0.000 0.985 324 D HN 0.693 nan 8.370 nan 0.000 0.493 325 E N -1.082 119.184 120.200 0.110 0.000 2.375 325 E HA 0.342 4.693 4.350 0.002 0.000 0.280 325 E C -1.624 175.092 176.600 0.193 0.000 0.972 325 E CA -0.829 55.612 56.400 0.068 0.000 0.782 325 E CB 1.160 30.873 29.700 0.022 0.000 1.229 325 E HN 0.054 nan 8.360 nan 0.000 0.439 326 F N -0.640 119.374 119.950 0.106 0.000 2.613 326 F HA 0.661 5.190 4.527 0.004 0.000 0.310 326 F C -1.037 174.877 175.800 0.190 0.000 1.085 326 F CA -0.761 57.315 58.000 0.126 0.000 0.945 326 F CB 1.785 40.845 39.000 0.100 0.000 1.298 326 F HN 0.107 nan 8.300 nan 0.000 0.455 327 T N 2.128 116.919 114.554 0.396 0.000 2.824 327 T HA 0.834 5.185 4.350 0.002 0.000 0.280 327 T C -0.557 174.419 174.700 0.461 0.000 0.995 327 T CA -0.369 61.915 62.100 0.306 0.000 1.009 327 T CB 1.395 70.376 68.868 0.187 0.000 0.955 327 T HN 1.010 nan 8.240 nan 0.000 0.452 328 A N 2.952 126.058 122.820 0.475 0.000 2.515 328 A HA 0.786 5.107 4.320 0.002 0.000 0.296 328 A C -0.745 177.024 177.584 0.307 0.000 1.094 328 A CA -0.986 51.348 52.037 0.496 0.000 0.718 328 A CB 1.404 20.938 19.000 0.890 0.000 1.307 328 A HN 0.749 nan 8.150 nan 0.000 0.408 329 R N 0.887 121.494 120.500 0.177 0.000 2.229 329 R HA 0.566 4.907 4.340 0.002 0.000 0.332 329 R C -0.581 175.743 176.300 0.040 0.000 0.989 329 R CA -0.166 55.986 56.100 0.087 0.000 0.842 329 R CB 0.937 31.253 30.300 0.027 0.000 1.119 329 R HN 0.747 nan 8.270 nan 0.000 0.456 330 I N -0.273 120.345 120.570 0.079 0.000 2.957 330 I HA 0.627 4.798 4.170 0.002 0.000 0.310 330 I C -0.948 175.190 176.117 0.036 0.000 1.063 330 I CA -1.452 59.881 61.300 0.055 0.000 1.033 330 I CB 1.985 40.112 38.000 0.212 0.000 1.230 330 I HN 0.384 nan 8.210 nan 0.000 0.447 331 I N 4.243 124.824 120.570 0.019 0.000 2.406 331 I HA 0.447 4.618 4.170 0.002 0.000 0.290 331 I C -0.915 175.246 176.117 0.073 0.000 0.999 331 I CA -0.723 60.593 61.300 0.028 0.000 1.124 331 I CB 1.800 39.798 38.000 -0.004 0.000 1.289 331 I HN 0.428 nan 8.210 nan 0.000 0.441 332 V N 8.671 128.634 119.914 0.083 0.000 2.338 332 V HA 0.114 4.235 4.120 0.002 0.000 0.255 332 V C 1.039 177.202 176.094 0.115 0.000 1.082 332 V CA -0.133 62.236 62.300 0.114 0.000 0.951 332 V CB 0.614 32.485 31.823 0.079 0.000 1.102 332 V HN 0.754 nan 8.190 nan 0.000 0.489 333 V N 3.833 123.837 119.914 0.150 0.000 2.488 333 V HA 0.028 4.149 4.120 0.002 0.000 0.246 333 V C 0.403 176.652 176.094 0.260 0.000 1.046 333 V CA 0.988 63.386 62.300 0.164 0.000 1.053 333 V CB -0.104 31.806 31.823 0.145 0.000 0.679 333 V HN 0.865 nan 8.190 nan 0.000 0.458 334 W N 0.022 121.371 121.300 0.082 0.000 3.405 334 W HA 0.629 5.290 4.660 0.002 0.000 0.329 334 W C -1.318 175.274 176.519 0.122 0.000 1.142 334 W CA -0.507 56.883 57.345 0.075 0.000 1.235 334 W CB 0.932 30.413 29.460 0.036 0.000 1.341 334 W HN 0.006 nan 8.180 nan 0.000 0.481 335 H N 7.653 126.195 119.070 -0.880 0.000 3.154 335 H HA 0.183 4.740 4.556 0.003 0.000 0.330 335 H C -1.968 172.840 175.328 -0.866 0.000 1.033 335 H CA -1.003 54.484 56.048 -0.936 0.000 1.393 335 H CB 2.839 32.340 29.762 -0.434 0.000 1.951 335 H HN 0.332 nan 8.280 nan 0.000 0.466 336 P HA -0.104 nan 4.420 nan 0.000 0.220 336 P C 0.800 177.988 177.300 -0.187 0.000 1.148 336 P CA 1.416 64.233 63.100 -0.472 0.000 0.803 336 P CB 0.938 32.387 31.700 -0.418 0.000 0.782 337 T N -3.221 111.327 114.554 -0.010 0.000 2.977 337 T HA 0.659 5.010 4.350 0.002 0.000 0.152 337 T C -0.042 174.602 174.700 -0.092 0.000 0.867 337 T CA 0.285 62.366 62.100 -0.032 0.000 0.917 337 T CB 0.173 69.002 68.868 -0.065 0.000 2.051 337 T HN 0.132 nan 8.240 nan 0.000 0.350 338 A N 0.319 123.002 122.820 -0.228 0.000 2.549 338 A HA 0.765 5.086 4.320 0.002 0.000 0.297 338 A C -1.658 175.541 177.584 -0.642 0.000 1.061 338 A CA -0.798 50.978 52.037 -0.436 0.000 0.690 338 A CB 1.390 20.122 19.000 -0.447 0.000 1.287 338 A HN 0.904 nan 8.150 nan 0.000 0.402 339 L N 1.703 122.537 121.223 -0.648 0.000 2.317 339 L HA 0.898 5.239 4.340 0.002 0.000 0.281 339 L C -0.022 176.749 176.870 -0.165 0.000 1.024 339 L CA -0.249 54.254 54.840 -0.561 0.000 0.810 339 L CB 1.480 43.203 42.059 -0.560 0.000 1.240 339 L HN 1.157 nan 8.230 nan 0.000 0.427 340 A N 3.671 126.443 122.820 -0.080 0.000 2.552 340 A HA 0.449 4.770 4.320 0.002 0.000 0.288 340 A C -0.994 176.611 177.584 0.034 0.000 1.193 340 A CA -0.926 51.117 52.037 0.011 0.000 0.713 340 A CB 0.973 19.988 19.000 0.026 0.000 1.305 340 A HN 0.808 nan 8.150 nan 0.000 0.424 341 N N -0.661 118.046 118.700 0.012 0.000 2.407 341 N HA 0.358 5.099 4.740 0.002 0.000 0.250 341 N C 1.111 176.638 175.510 0.027 0.000 1.236 341 N CA 1.824 54.871 53.050 -0.005 0.000 0.879 341 N CB 0.438 38.911 38.487 -0.024 0.000 1.088 341 N HN 1.435 nan 8.380 nan 0.000 0.450 342 G N 0.721 109.535 108.800 0.023 0.000 2.254 342 G HA2 -0.305 3.656 3.960 0.002 0.000 0.225 342 G HA3 -0.305 3.656 3.960 0.002 0.000 0.225 342 G C -0.180 174.784 174.900 0.107 0.000 1.003 342 G CA -0.231 44.896 45.100 0.045 0.000 0.622 342 G HN 0.631 nan 8.290 nan 0.000 0.507 343 Y N 2.803 123.101 120.300 -0.003 0.000 2.721 343 Y HA 0.443 4.993 4.550 0.000 0.000 0.329 343 Y C 0.357 176.292 175.900 0.059 0.000 1.211 343 Y CA 1.079 59.202 58.100 0.038 0.000 1.512 343 Y CB 0.676 39.165 38.460 0.047 0.000 1.249 343 Y HN 0.049 nan 8.280 nan 0.000 0.549 344 T N 9.258 123.649 114.554 -0.273 0.000 3.401 344 T HA 0.248 4.599 4.350 0.002 0.000 0.341 344 T C -2.525 171.956 174.700 -0.366 0.000 1.674 344 T CA -0.996 60.953 62.100 -0.252 0.000 1.600 344 T CB 0.389 69.214 68.868 -0.072 0.000 0.974 344 T HN 0.480 nan 8.240 nan 0.000 0.672 345 P HA 0.394 nan 4.420 nan 0.000 0.279 345 P C -0.511 176.724 177.300 -0.109 0.000 1.282 345 P CA -0.450 62.445 63.100 -0.341 0.000 0.788 345 P CB 1.034 32.536 31.700 -0.331 0.000 1.139 346 V N 1.203 121.109 119.914 -0.013 0.000 2.383 346 V HA 0.145 4.266 4.120 0.002 0.000 0.275 346 V C 0.381 176.531 176.094 0.094 0.000 1.036 346 V CA -0.414 61.913 62.300 0.044 0.000 0.889 346 V CB 0.620 32.508 31.823 0.108 0.000 0.985 346 V HN 0.309 nan 8.190 nan 0.000 0.459 347 L N 5.508 126.750 121.223 0.033 0.000 2.289 347 L HA 0.445 4.786 4.340 0.002 0.000 0.285 347 L C 0.213 177.155 176.870 0.120 0.000 1.049 347 L CA 0.101 54.949 54.840 0.014 0.000 0.804 347 L CB 0.743 42.636 42.059 -0.278 0.000 1.195 347 L HN 0.563 nan 8.230 nan 0.000 0.428 348 H N 2.996 122.044 119.070 -0.037 0.000 2.581 348 H HA 0.551 5.108 4.556 0.001 0.000 0.308 348 H C -0.971 174.327 175.328 -0.051 0.000 1.040 348 H CA -0.537 55.479 56.048 -0.054 0.000 1.231 348 H CB 2.123 31.877 29.762 -0.015 0.000 1.396 348 H HN 0.333 nan 8.280 nan 0.000 0.467 349 V N 6.470 126.317 119.914 -0.112 0.000 2.686 349 V HA 0.160 4.282 4.120 0.002 0.000 0.306 349 V C 0.435 176.254 176.094 -0.458 0.000 1.065 349 V CA -0.255 61.943 62.300 -0.170 0.000 0.894 349 V CB 0.974 32.677 31.823 -0.200 0.000 1.004 349 V HN 1.208 nan 8.190 nan 0.000 0.424 350 H N 3.618 122.703 119.070 0.025 0.000 1.452 350 H HA -0.305 4.251 4.556 0.001 0.000 0.090 350 H C 0.958 176.280 175.328 -0.010 0.000 0.985 350 H CA 1.980 58.030 56.048 0.004 0.000 1.901 350 H CB -1.806 27.946 29.762 -0.017 0.000 2.257 350 H HN 0.967 nan 8.280 nan 0.000 0.961 351 T N -0.380 114.286 114.554 0.187 0.000 3.107 351 T HA 0.686 5.037 4.350 0.002 0.000 0.249 351 T C 0.918 175.566 174.700 -0.086 0.000 1.096 351 T CA 0.339 62.472 62.100 0.055 0.000 1.012 351 T CB -0.088 68.846 68.868 0.110 0.000 0.977 351 T HN 0.835 nan 8.240 nan 0.000 0.527 352 A N 0.683 123.336 122.820 -0.279 0.000 2.302 352 A HA 0.722 5.043 4.320 0.002 0.000 0.285 352 A C 0.138 177.526 177.584 -0.328 0.000 1.105 352 A CA -0.704 51.162 52.037 -0.286 0.000 0.816 352 A CB 0.975 19.774 19.000 -0.334 0.000 1.067 352 A HN 0.274 nan 8.150 nan 0.000 0.489 353 S N 0.481 116.011 115.700 -0.284 0.000 2.620 353 S HA 0.529 5.001 4.470 0.002 0.000 0.244 353 S C -1.314 173.188 174.600 -0.163 0.000 1.192 353 S CA -0.332 57.667 58.200 -0.335 0.000 1.148 353 S CB 0.357 63.268 63.200 -0.482 0.000 1.106 353 S HN 0.730 nan 8.310 nan 0.000 0.474 354 V N 3.064 122.911 119.914 -0.112 0.000 2.709 354 V HA 0.753 4.874 4.120 0.002 0.000 0.308 354 V C 0.309 176.377 176.094 -0.043 0.000 1.062 354 V CA -1.068 61.192 62.300 -0.067 0.000 0.901 354 V CB 1.819 33.604 31.823 -0.063 0.000 1.003 354 V HN 0.891 nan 8.190 nan 0.000 0.425 355 A N 2.844 125.648 122.820 -0.028 0.000 2.488 355 A HA 0.492 4.813 4.320 0.002 0.000 0.249 355 A C -0.098 177.473 177.584 -0.023 0.000 1.083 355 A CA 0.086 52.108 52.037 -0.026 0.000 0.768 355 A CB -0.139 18.848 19.000 -0.020 0.000 1.017 355 A HN 0.919 nan 8.150 nan 0.000 0.496 356 C N 2.485 121.772 119.300 -0.022 0.000 2.431 356 C HA 0.553 5.014 4.460 0.002 0.000 0.321 356 C C 0.455 175.486 174.990 0.068 0.000 1.202 356 C CA -0.664 58.370 59.018 0.026 0.000 1.398 356 C CB 1.011 28.752 27.740 0.002 0.000 2.047 356 C HN 1.003 nan 8.230 nan 0.000 0.465 357 R N 2.250 122.766 120.500 0.027 0.000 2.265 357 R HA 0.451 4.792 4.340 0.002 0.000 0.314 357 R C -0.621 175.634 176.300 -0.076 0.000 1.053 357 R CA -0.235 55.855 56.100 -0.016 0.000 0.931 357 R CB 0.677 30.961 30.300 -0.027 0.000 1.024 357 R HN 0.652 nan 8.270 nan 0.000 0.457 358 V N 5.266 125.092 119.914 -0.147 0.000 2.409 358 V HA -0.075 4.046 4.120 0.002 0.000 0.270 358 V C 1.384 177.335 176.094 -0.238 0.000 1.019 358 V CA 0.731 62.804 62.300 -0.379 0.000 1.066 358 V CB 0.746 32.419 31.823 -0.249 0.000 1.021 358 V HN 1.000 nan 8.190 nan 0.000 0.476 359 S N 2.964 118.503 115.700 -0.268 0.000 2.478 359 S HA 0.155 4.626 4.470 0.002 0.000 0.222 359 S C 0.493 175.008 174.600 -0.142 0.000 1.008 359 S CA 0.062 58.166 58.200 -0.160 0.000 0.928 359 S CB 0.345 63.465 63.200 -0.134 0.000 0.781 359 S HN 0.794 nan 8.310 nan 0.000 0.518 360 E N -0.084 120.004 120.200 -0.188 0.000 2.381 360 E HA 0.370 4.721 4.350 0.002 0.000 0.286 360 E C -1.917 174.595 176.600 -0.147 0.000 0.960 360 E CA -0.576 55.744 56.400 -0.133 0.000 0.793 360 E CB 1.399 31.042 29.700 -0.096 0.000 1.225 360 E HN 0.242 nan 8.360 nan 0.000 0.420 361 L N 5.260 126.421 121.223 -0.105 0.000 2.314 361 L HA 0.253 4.594 4.340 0.002 0.000 0.275 361 L C 1.141 177.970 176.870 -0.069 0.000 1.068 361 L CA -0.404 54.380 54.840 -0.093 0.000 0.894 361 L CB 0.934 42.942 42.059 -0.085 0.000 1.275 361 L HN 0.547 nan 8.230 nan 0.000 0.432 362 V N 1.231 121.112 119.914 -0.056 0.000 2.261 362 V HA -0.149 3.972 4.120 0.002 0.000 0.246 362 V C 1.047 177.125 176.094 -0.028 0.000 1.047 362 V CA 1.708 63.989 62.300 -0.032 0.000 1.015 362 V CB -0.244 31.572 31.823 -0.012 0.000 0.642 362 V HN 0.903 nan 8.190 nan 0.000 0.446 363 S N -2.058 113.627 115.700 -0.025 0.000 2.597 363 S HA 0.412 4.883 4.470 0.002 0.000 0.274 363 S C -1.311 173.274 174.600 -0.025 0.000 1.132 363 S CA -1.074 57.110 58.200 -0.026 0.000 0.835 363 S CB 1.841 65.037 63.200 -0.007 0.000 1.092 363 S HN 0.191 nan 8.310 nan 0.000 0.457 364 K N 0.551 120.929 120.400 -0.035 0.000 2.118 364 K HA 0.614 4.935 4.320 0.002 0.000 0.267 364 K C -1.219 175.377 176.600 -0.007 0.000 0.991 364 K CA -0.742 55.526 56.287 -0.030 0.000 0.916 364 K CB 0.920 33.386 32.500 -0.057 0.000 1.041 364 K HN 0.442 nan 8.250 nan 0.000 0.455 365 L N 1.402 122.630 121.223 0.008 0.000 2.334 365 L HA 0.215 4.556 4.340 0.002 0.000 0.270 365 L C 0.045 176.933 176.870 0.030 0.000 1.018 365 L CA -0.370 54.486 54.840 0.026 0.000 0.811 365 L CB 1.141 43.223 42.059 0.038 0.000 1.271 365 L HN 0.548 nan 8.230 nan 0.000 0.443 366 D N 3.520 123.947 120.400 0.044 0.000 2.343 366 D HA 0.104 4.745 4.640 0.002 0.000 0.255 366 D C -1.687 174.657 176.300 0.074 0.000 1.187 366 D CA -1.520 52.509 54.000 0.047 0.000 0.875 366 D CB 1.678 42.507 40.800 0.048 0.000 1.136 366 D HN 0.282 nan 8.370 nan 0.000 0.469 367 P HA -0.119 nan 4.420 nan 0.000 0.220 367 P C 0.987 178.375 177.300 0.147 0.000 1.148 367 P CA 0.861 64.010 63.100 0.083 0.000 0.803 367 P CB 0.483 32.218 31.700 0.057 0.000 0.782 368 R N -0.535 120.043 120.500 0.131 0.000 2.173 368 R HA 0.040 4.382 4.340 0.002 0.000 0.208 368 R C 2.340 178.739 176.300 0.165 0.000 1.035 368 R CA 1.769 57.956 56.100 0.145 0.000 1.004 368 R CB -0.332 29.988 30.300 0.032 0.000 0.917 368 R HN 0.339 nan 8.270 nan 0.000 0.462 369 T N -4.999 109.654 114.554 0.165 0.000 3.056 369 T HA 0.242 4.593 4.350 0.002 0.000 0.243 369 T C 1.436 176.310 174.700 0.290 0.000 0.995 369 T CA 0.718 62.900 62.100 0.136 0.000 1.091 369 T CB 1.032 69.942 68.868 0.071 0.000 0.990 369 T HN 0.269 nan 8.240 nan 0.000 0.464 370 G N 1.783 110.719 108.800 0.227 0.000 2.179 370 G HA2 -0.191 3.770 3.960 0.002 0.000 0.220 370 G HA3 -0.191 3.770 3.960 0.002 0.000 0.220 370 G C -0.017 174.957 174.900 0.123 0.000 0.990 370 G CA 0.123 45.333 45.100 0.183 0.000 0.646 370 G HN 1.041 nan 8.290 nan 0.000 0.517 371 Q N 0.573 120.438 119.800 0.109 0.000 2.260 371 Q HA 0.642 4.984 4.340 0.002 0.000 0.238 371 Q C 0.139 176.174 176.000 0.059 0.000 0.948 371 Q CA -0.643 55.210 55.803 0.083 0.000 0.895 371 Q CB 1.233 30.017 28.738 0.076 0.000 1.218 371 Q HN 0.229 nan 8.270 nan 0.000 0.470 372 E N 0.229 120.458 120.200 0.049 0.000 2.452 372 E HA -0.009 4.342 4.350 0.002 0.000 0.261 372 E C -0.653 175.959 176.600 0.020 0.000 0.987 372 E CA 0.765 57.184 56.400 0.032 0.000 0.926 372 E CB 1.114 30.832 29.700 0.030 0.000 0.934 372 E HN 0.756 nan 8.360 nan 0.000 0.452 373 A N 4.614 127.439 122.820 0.007 0.000 1.999 373 A HA 0.107 4.428 4.320 0.002 0.000 0.200 373 A C 0.647 178.220 177.584 -0.018 0.000 1.363 373 A CA 0.303 52.338 52.037 -0.004 0.000 0.844 373 A CB 0.403 19.398 19.000 -0.008 0.000 0.954 373 A HN 0.652 nan 8.150 nan 0.000 0.481 374 E N 0.314 120.497 120.200 -0.028 0.000 2.291 374 E HA 0.400 4.751 4.350 0.002 0.000 0.276 374 E C -1.626 174.948 176.600 -0.043 0.000 0.896 374 E CA -0.556 55.818 56.400 -0.044 0.000 0.774 374 E CB 1.204 30.860 29.700 -0.073 0.000 1.227 374 E HN 0.187 nan 8.360 nan 0.000 0.413 375 K N 2.861 123.240 120.400 -0.036 0.000 2.276 375 K HA 0.265 4.587 4.320 0.002 0.000 0.283 375 K C -0.395 176.176 176.600 -0.047 0.000 1.044 375 K CA -0.303 55.965 56.287 -0.031 0.000 0.944 375 K CB 0.547 33.036 32.500 -0.018 0.000 1.012 375 K HN 0.509 nan 8.250 nan 0.000 0.472 376 N N 2.132 120.803 118.700 -0.049 0.000 2.671 376 N HA -0.123 4.618 4.740 0.002 0.000 0.261 376 N C -2.513 172.944 175.510 -0.088 0.000 1.053 376 N CA 0.264 53.279 53.050 -0.059 0.000 0.732 376 N CB -1.171 37.289 38.487 -0.044 0.000 0.887 376 N HN 0.501 nan 8.380 nan 0.000 0.546 377 P HA -0.010 nan 4.420 nan 0.000 0.269 377 P C 0.545 177.728 177.300 -0.194 0.000 1.209 377 P CA 0.201 63.182 63.100 -0.199 0.000 0.776 377 P CB 0.662 32.225 31.700 -0.227 0.000 0.876 378 Q N 1.671 121.318 119.800 -0.255 0.000 2.230 378 Q HA 0.078 4.420 4.340 0.002 0.000 0.202 378 Q C 0.555 176.556 176.000 0.002 0.000 0.963 378 Q CA 1.550 57.293 55.803 -0.099 0.000 0.866 378 Q CB -0.575 28.163 28.738 0.001 0.000 0.931 378 Q HN 0.667 nan 8.270 nan 0.000 0.452 379 F N -3.358 116.548 119.950 -0.073 0.000 2.773 379 F HA 0.616 5.145 4.527 0.002 0.000 0.314 379 F C -1.575 174.160 175.800 -0.108 0.000 1.160 379 F CA -1.769 56.169 58.000 -0.103 0.000 0.920 379 F CB 0.871 39.800 39.000 -0.119 0.000 1.323 379 F HN -0.287 nan 8.300 nan 0.000 0.457 380 L N 1.693 122.963 121.223 0.079 0.000 2.333 380 L HA 0.685 5.026 4.340 0.002 0.000 0.269 380 L C -0.577 176.317 176.870 0.040 0.000 1.010 380 L CA -0.947 53.892 54.840 -0.002 0.000 0.818 380 L CB 2.377 44.411 42.059 -0.042 0.000 1.306 380 L HN 0.704 nan 8.230 nan 0.000 0.430 381 K N 0.594 121.012 120.400 0.029 0.000 2.400 381 K HA 0.341 4.662 4.320 0.002 0.000 0.246 381 K C -0.977 175.613 176.600 -0.016 0.000 0.995 381 K CA -0.933 55.352 56.287 -0.003 0.000 0.840 381 K CB 2.174 34.714 32.500 0.067 0.000 1.293 381 K HN 0.472 nan 8.250 nan 0.000 0.445 382 Q N 0.231 120.017 119.800 -0.023 0.000 2.283 382 Q HA 0.026 4.367 4.340 0.002 0.000 0.301 382 Q C 0.541 176.555 176.000 0.023 0.000 1.063 382 Q CA 1.786 57.592 55.803 0.004 0.000 0.952 382 Q CB 0.056 28.781 28.738 -0.021 0.000 1.166 382 Q HN 0.831 nan 8.270 nan 0.000 0.381 383 G N 3.408 112.231 108.800 0.038 0.000 2.254 383 G HA2 -0.204 3.757 3.960 0.002 0.000 0.225 383 G HA3 -0.204 3.757 3.960 0.002 0.000 0.225 383 G C -0.429 174.488 174.900 0.029 0.000 1.003 383 G CA -0.004 45.118 45.100 0.036 0.000 0.622 383 G HN 0.694 nan 8.290 nan 0.000 0.507 384 D N 0.467 120.879 120.400 0.022 0.000 2.399 384 D HA 0.497 5.138 4.640 0.002 0.000 0.241 384 D C 0.333 176.645 176.300 0.021 0.000 1.133 384 D CA 0.211 54.218 54.000 0.012 0.000 0.890 384 D CB 1.836 42.634 40.800 -0.004 0.000 1.201 384 D HN 0.217 nan 8.370 nan 0.000 0.432 385 V N 1.005 120.928 119.914 0.016 0.000 2.555 385 V HA 0.816 4.937 4.120 0.002 0.000 0.302 385 V C 0.025 176.130 176.094 0.018 0.000 1.038 385 V CA -0.421 61.890 62.300 0.019 0.000 0.887 385 V CB 1.428 33.261 31.823 0.016 0.000 0.991 385 V HN 0.771 nan 8.190 nan 0.000 0.434 386 A N 4.799 127.637 122.820 0.030 0.000 2.599 386 A HA 0.843 5.164 4.320 0.002 0.000 0.290 386 A C -1.450 176.165 177.584 0.051 0.000 1.101 386 A CA -0.586 51.468 52.037 0.027 0.000 0.674 386 A CB 1.288 20.294 19.000 0.009 0.000 1.277 386 A HN 0.655 nan 8.150 nan 0.000 0.419 387 I N 1.170 121.764 120.570 0.040 0.000 2.321 387 I HA 0.525 4.696 4.170 0.002 0.000 0.291 387 I C -0.802 175.334 176.117 0.032 0.000 0.998 387 I CA -0.649 60.687 61.300 0.061 0.000 1.227 387 I CB 1.462 39.493 38.000 0.051 0.000 1.368 387 I HN 0.327 nan 8.210 nan 0.000 0.466 388 V N 6.389 126.335 119.914 0.054 0.000 2.876 388 V HA 0.421 4.543 4.120 0.002 0.000 0.312 388 V C -0.349 175.674 176.094 -0.117 0.000 1.085 388 V CA -0.974 61.275 62.300 -0.085 0.000 0.945 388 V CB 2.581 34.304 31.823 -0.165 0.000 1.017 388 V HN 0.599 nan 8.190 nan 0.000 0.428 389 K N 2.545 122.780 120.400 -0.276 0.000 2.182 389 K HA 0.706 5.027 4.320 0.002 0.000 0.262 389 K C -1.655 174.610 176.600 -0.559 0.000 0.957 389 K CA -0.313 55.818 56.287 -0.260 0.000 0.842 389 K CB 1.826 34.235 32.500 -0.151 0.000 1.099 389 K HN 0.432 nan 8.250 nan 0.000 0.438 390 F N 1.364 120.972 119.950 -0.571 0.000 2.546 390 F HA 0.403 4.932 4.527 0.003 0.000 0.320 390 F C 0.230 175.671 175.800 -0.598 0.000 1.076 390 F CA -0.924 56.663 58.000 -0.688 0.000 0.928 390 F CB 1.671 39.944 39.000 -1.211 0.000 1.189 390 F HN 0.016 nan 8.300 nan 0.000 0.465 391 K N 3.252 123.567 120.400 -0.142 0.000 2.507 391 K HA 0.368 4.689 4.320 0.002 0.000 0.253 391 K C -2.850 173.741 176.600 -0.014 0.000 0.969 391 K CA -1.946 54.297 56.287 -0.074 0.000 0.908 391 K CB 1.834 34.301 32.500 -0.055 0.000 1.127 391 K HN 0.179 nan 8.250 nan 0.000 0.437 392 P HA 0.037 nan 4.420 nan 0.000 0.265 392 P C 0.976 178.291 177.300 0.024 0.000 1.193 392 P CA -0.297 62.836 63.100 0.055 0.000 0.765 392 P CB 0.556 32.316 31.700 0.100 0.000 0.823 393 I N 1.960 122.537 120.570 0.012 0.000 2.614 393 I HA -0.095 4.076 4.170 0.002 0.000 0.258 393 I C 1.223 177.343 176.117 0.006 0.000 1.189 393 I CA 1.591 62.893 61.300 0.004 0.000 1.462 393 I CB -1.191 36.807 38.000 -0.003 0.000 1.092 393 I HN 0.471 nan 8.210 nan 0.000 0.442 394 K N -0.077 120.328 120.400 0.008 0.000 2.536 394 K HA 0.540 4.861 4.320 0.002 0.000 0.269 394 K C -2.993 173.617 176.600 0.017 0.000 0.965 394 K CA -1.822 54.470 56.287 0.008 0.000 0.860 394 K CB 1.205 33.704 32.500 -0.001 0.000 1.423 394 K HN -0.359 nan 8.250 nan 0.000 0.438 395 P HA -0.055 nan 4.420 nan 0.000 0.261 395 P C -1.317 175.998 177.300 0.025 0.000 1.173 395 P CA -0.031 63.085 63.100 0.027 0.000 0.760 395 P CB 0.270 31.983 31.700 0.023 0.000 0.783 396 L N 5.264 126.509 121.223 0.036 0.000 2.436 396 L HA 0.452 4.793 4.340 0.002 0.000 0.268 396 L C -1.301 175.588 176.870 0.031 0.000 0.974 396 L CA -0.544 54.311 54.840 0.026 0.000 0.826 396 L CB 1.553 43.623 42.059 0.018 0.000 1.291 396 L HN 0.341 nan 8.230 nan 0.000 0.406 397 C N 4.702 124.034 119.300 0.053 0.000 2.347 397 C HA 0.835 5.296 4.460 0.002 0.000 0.353 397 C C 0.033 175.079 174.990 0.094 0.000 1.273 397 C CA -0.411 58.634 59.018 0.045 0.000 1.861 397 C CB -0.070 27.678 27.740 0.013 0.000 2.420 397 C HN 0.702 nan 8.230 nan 0.000 0.542 398 V N 1.617 121.526 119.914 -0.008 0.000 3.178 398 V HA 0.783 4.904 4.120 0.002 0.000 0.302 398 V C -1.238 174.833 176.094 -0.039 0.000 1.262 398 V CA -0.624 61.645 62.300 -0.051 0.000 1.030 398 V CB 2.091 33.727 31.823 -0.312 0.000 1.074 398 V HN 0.683 nan 8.190 nan 0.000 0.438 399 E N 0.361 120.568 120.200 0.012 0.000 2.410 399 E HA 0.506 4.857 4.350 0.002 0.000 0.269 399 E C -1.303 175.378 176.600 0.134 0.000 0.937 399 E CA -1.014 55.447 56.400 0.100 0.000 0.793 399 E CB 2.331 32.154 29.700 0.205 0.000 1.314 399 E HN 0.742 nan 8.360 nan 0.000 0.447 400 K N 0.907 121.404 120.400 0.162 0.000 2.350 400 K HA 0.032 4.353 4.320 0.002 0.000 0.279 400 K C 0.727 177.424 176.600 0.161 0.000 1.027 400 K CA 0.003 56.381 56.287 0.152 0.000 0.969 400 K CB 0.539 33.108 32.500 0.114 0.000 0.954 400 K HN 0.488 nan 8.250 nan 0.000 0.474 401 Y N 3.995 124.329 120.300 0.057 0.000 2.193 401 Y HA -0.306 4.245 4.550 0.001 0.000 0.285 401 Y C 1.672 177.574 175.900 0.004 0.000 1.166 401 Y CA 2.360 60.480 58.100 0.034 0.000 1.181 401 Y CB -0.167 38.300 38.460 0.012 0.000 0.976 401 Y HN 0.729 nan 8.280 nan 0.000 0.520 402 N N -0.244 118.420 118.700 -0.060 0.000 2.521 402 N HA -0.092 4.649 4.740 0.002 0.000 0.188 402 N C 0.992 176.364 175.510 -0.231 0.000 1.146 402 N CA 1.423 54.365 53.050 -0.179 0.000 0.893 402 N CB -0.382 38.073 38.487 -0.053 0.000 0.975 402 N HN 0.598 nan 8.380 nan 0.000 0.451 403 E N -1.063 119.005 120.200 -0.222 0.000 2.207 403 E HA 0.181 4.532 4.350 0.002 0.000 0.197 403 E C -0.577 175.610 176.600 -0.688 0.000 0.914 403 E CA 0.401 56.547 56.400 -0.422 0.000 0.914 403 E CB 0.217 29.740 29.700 -0.295 0.000 0.893 403 E HN 0.241 nan 8.360 nan 0.000 0.479 404 F N 0.769 120.650 119.950 -0.115 0.000 2.686 404 F HA 0.306 4.833 4.527 0.000 0.000 0.365 404 F C -2.181 173.542 175.800 -0.128 0.000 1.196 404 F CA -2.213 55.720 58.000 -0.112 0.000 1.198 404 F CB 1.516 40.468 39.000 -0.080 0.000 1.454 404 F HN -0.097 nan 8.300 nan 0.000 0.539 405 P HA -0.200 nan 4.420 nan 0.000 0.217 405 P C -1.334 176.022 177.300 0.095 0.000 1.162 405 P CA 1.932 64.870 63.100 -0.271 0.000 0.901 405 P CB -0.670 30.794 31.700 -0.393 0.000 0.793 406 P HA -0.081 nan 4.420 nan 0.000 0.221 406 P C 0.708 178.100 177.300 0.154 0.000 1.145 406 P CA 1.160 64.330 63.100 0.117 0.000 0.795 406 P CB -0.258 31.484 31.700 0.070 0.000 0.775 407 L N -2.795 118.521 121.223 0.156 0.000 2.728 407 L HA 0.358 4.699 4.340 0.002 0.000 0.238 407 L C 1.791 178.781 176.870 0.199 0.000 1.143 407 L CA 0.509 55.460 54.840 0.186 0.000 0.937 407 L CB -0.457 41.609 42.059 0.012 0.000 1.225 407 L HN -0.080 nan 8.230 nan 0.000 0.507 408 G N -1.035 107.909 108.800 0.241 0.000 3.192 408 G HA2 0.120 4.081 3.960 0.002 0.000 0.239 408 G HA3 0.120 4.081 3.960 0.002 0.000 0.239 408 G C 0.595 175.647 174.900 0.254 0.000 1.084 408 G CA -0.264 45.003 45.100 0.279 0.000 0.784 408 G HN 0.148 nan 8.290 nan 0.000 0.540 409 R N 0.185 120.798 120.500 0.188 0.000 2.514 409 R HA 0.635 4.976 4.340 0.002 0.000 0.301 409 R C -1.215 175.099 176.300 0.023 0.000 0.962 409 R CA -0.721 55.344 56.100 -0.060 0.000 0.882 409 R CB 1.012 31.237 30.300 -0.125 0.000 1.143 409 R HN 0.067 nan 8.270 nan 0.000 0.452 410 F N 0.794 120.701 119.950 -0.072 0.000 2.643 410 F HA 0.849 5.377 4.527 0.001 0.000 0.314 410 F C -1.567 174.204 175.800 -0.047 0.000 1.096 410 F CA -1.321 56.636 58.000 -0.071 0.000 0.953 410 F CB 1.407 40.326 39.000 -0.134 0.000 1.345 410 F HN 0.532 nan 8.300 nan 0.000 0.468 411 A N 2.375 125.347 122.820 0.253 0.000 2.342 411 A HA 0.785 5.107 4.320 0.002 0.000 0.323 411 A C -1.073 176.651 177.584 0.232 0.000 1.125 411 A CA -0.890 51.236 52.037 0.149 0.000 0.785 411 A CB 1.109 20.122 19.000 0.022 0.000 1.221 411 A HN 0.832 nan 8.150 nan 0.000 0.463 412 M N 3.350 123.092 119.600 0.237 0.000 2.080 412 M HA 0.382 4.863 4.480 0.002 0.000 0.350 412 M C -0.075 176.305 176.300 0.133 0.000 1.173 412 M CA -0.110 55.318 55.300 0.213 0.000 1.052 412 M CB 0.915 33.711 32.600 0.327 0.000 1.577 412 M HN 0.541 nan 8.290 nan 0.000 0.455 413 R N 2.031 122.563 120.500 0.052 0.000 2.589 413 R HA 0.626 4.967 4.340 0.002 0.000 0.293 413 R C -1.296 175.058 176.300 0.091 0.000 0.963 413 R CA -0.662 55.438 56.100 -0.000 0.000 0.905 413 R CB 1.686 31.854 30.300 -0.220 0.000 1.144 413 R HN 0.545 nan 8.270 nan 0.000 0.459 414 D N 2.063 122.543 120.400 0.133 0.000 2.878 414 D HA 0.188 4.829 4.640 0.002 0.000 0.211 414 D C -0.038 176.358 176.300 0.161 0.000 1.271 414 D CA -0.319 53.792 54.000 0.186 0.000 0.845 414 D CB 0.914 41.910 40.800 0.327 0.000 1.679 414 D HN 0.538 nan 8.370 nan 0.000 0.536 415 M N 2.243 121.908 119.600 0.108 0.000 2.461 415 M HA -0.222 4.259 4.480 0.002 0.000 0.203 415 M C 0.972 177.250 176.300 -0.036 0.000 0.428 415 M CA 1.078 56.414 55.300 0.060 0.000 0.509 415 M CB -1.791 30.885 32.600 0.126 0.000 1.851 415 M HN 0.801 nan 8.290 nan 0.000 0.834 416 G N -0.407 108.370 108.800 -0.039 0.000 2.153 416 G HA2 -0.274 3.688 3.960 0.002 0.000 0.252 416 G HA3 -0.274 3.688 3.960 0.002 0.000 0.252 416 G C 0.035 174.839 174.900 -0.161 0.000 0.994 416 G CA 0.911 45.959 45.100 -0.086 0.000 0.698 416 G HN 0.462 nan 8.290 nan 0.000 0.521 417 K N -0.194 120.098 120.400 -0.179 0.000 2.340 417 K HA 0.587 4.908 4.320 0.002 0.000 0.244 417 K C -0.433 176.123 176.600 -0.073 0.000 0.973 417 K CA -0.610 55.513 56.287 -0.272 0.000 0.828 417 K CB 1.573 33.627 32.500 -0.744 0.000 1.226 417 K HN 0.028 nan 8.250 nan 0.000 0.437 418 T N 1.555 116.080 114.554 -0.047 0.000 2.747 418 T HA 0.072 4.423 4.350 0.002 0.000 0.301 418 T C 1.476 176.306 174.700 0.216 0.000 0.952 418 T CA -0.354 61.776 62.100 0.050 0.000 0.983 418 T CB 0.311 69.184 68.868 0.008 0.000 0.930 418 T HN 0.467 nan 8.240 nan 0.000 0.494 419 V N 1.991 122.096 119.914 0.318 0.000 2.719 419 V HA 0.444 4.565 4.120 0.002 0.000 0.252 419 V C 0.834 177.117 176.094 0.316 0.000 1.065 419 V CA 1.381 63.940 62.300 0.432 0.000 1.086 419 V CB -0.602 31.516 31.823 0.492 0.000 0.700 419 V HN 0.830 nan 8.190 nan 0.000 0.467 420 G N -1.386 107.564 108.800 0.251 0.000 2.623 420 G HA2 0.573 4.534 3.960 0.002 0.000 0.290 420 G HA3 0.573 4.534 3.960 0.002 0.000 0.290 420 G C -1.900 173.065 174.900 0.107 0.000 1.437 420 G CA -0.064 45.152 45.100 0.193 0.000 0.798 420 G HN 0.383 nan 8.290 nan 0.000 0.488 421 V N -0.369 119.546 119.914 0.001 0.000 2.709 421 V HA 0.931 5.052 4.120 0.002 0.000 0.308 421 V C 0.514 176.389 176.094 -0.364 0.000 1.062 421 V CA 0.111 62.307 62.300 -0.173 0.000 0.901 421 V CB 1.815 33.552 31.823 -0.144 0.000 1.003 421 V HN 1.387 nan 8.190 nan 0.000 0.425 422 G N 2.686 110.931 108.800 -0.926 0.000 2.619 422 G HA2 0.755 4.716 3.960 0.002 0.000 0.296 422 G HA3 0.755 4.716 3.960 0.002 0.000 0.296 422 G C -2.083 172.223 174.900 -0.991 0.000 1.334 422 G CA -0.609 43.848 45.100 -1.072 0.000 0.934 422 G HN 0.446 nan 8.290 nan 0.000 0.476 423 I N 0.629 120.920 120.570 -0.465 0.000 2.436 423 I HA 0.423 4.594 4.170 0.002 0.000 0.289 423 I C -0.114 176.029 176.117 0.043 0.000 1.010 423 I CA -1.013 60.114 61.300 -0.289 0.000 1.098 423 I CB 1.707 39.496 38.000 -0.352 0.000 1.266 423 I HN 0.335 nan 8.210 nan 0.000 0.434 424 I N 7.564 128.237 120.570 0.173 0.000 2.379 424 I HA 0.098 4.269 4.170 0.002 0.000 0.290 424 I C 1.155 177.406 176.117 0.225 0.000 1.063 424 I CA -0.138 61.326 61.300 0.272 0.000 1.351 424 I CB 0.831 38.938 38.000 0.179 0.000 1.410 424 I HN 0.518 nan 8.210 nan 0.000 0.505 425 V N 0.967 121.017 119.914 0.226 0.000 3.644 425 V HA 0.337 4.458 4.120 0.002 0.000 0.267 425 V C 0.057 176.245 176.094 0.157 0.000 1.277 425 V CA 0.415 62.816 62.300 0.169 0.000 1.096 425 V CB 0.025 31.932 31.823 0.140 0.000 0.828 425 V HN 0.823 nan 8.190 nan 0.000 0.446 426 D N -1.179 119.338 120.400 0.195 0.000 2.769 426 D HA 0.567 5.208 4.640 0.002 0.000 0.219 426 D C -1.617 174.810 176.300 0.211 0.000 1.245 426 D CA -0.229 53.872 54.000 0.168 0.000 0.801 426 D CB 2.569 43.453 40.800 0.139 0.000 1.598 426 D HN -0.003 nan 8.370 nan 0.000 0.485 427 V N 2.879 122.894 119.914 0.168 0.000 2.577 427 V HA 0.439 4.560 4.120 0.002 0.000 0.303 427 V C -0.574 175.600 176.094 0.133 0.000 1.042 427 V CA -0.956 61.453 62.300 0.183 0.000 0.872 427 V CB 1.784 33.694 31.823 0.145 0.000 0.998 427 V HN 0.587 nan 8.190 nan 0.000 0.423 428 K N 6.478 126.959 120.400 0.134 0.000 2.299 428 K HA 0.501 4.822 4.320 0.002 0.000 0.268 428 K C -2.652 174.000 176.600 0.087 0.000 1.075 428 K CA -1.520 54.823 56.287 0.093 0.000 0.936 428 K CB 1.432 33.979 32.500 0.078 0.000 1.228 428 K HN 0.325 nan 8.250 nan 0.000 0.454 429 P HA 0.000 nan 4.420 nan 0.000 0.216 429 P CA 0.000 63.135 63.100 0.058 0.000 0.800 429 P CB 0.000 31.728 31.700 0.047 0.000 0.726