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 3jtq_1_B DATA FIRST_RESID 1 DATA SEQUENCE SNSWAVAPGK TANGNALLLQ NPHLSWTTDY FTYYEAHLVT PDFEIYGATQ DATA SEQUENCE IGLPVIRFAF NQRMGITNTV NGMVGATNYR LTLQDGGYLY DGQVRPFERR DATA SEQUENCE QASYRLRQAD GTTVDKPLEI RSSVHGPVFE RADGTAVAVR VAGLDRPGML DATA SEQUENCE EQYFDMITAD SFDDYEAALA RMQVPTFNIV YADREGTINY SFNGVAPKRA DATA SEQUENCE EGDIAFWQGN VPGDSSRYLW TETHPLDDLP RVTNPPGGFV QNSNDPPWTP DATA SEQUENCE TWPVTYTPKD FPSYLAPQTP HSLRAQQSVR LMSENDDLTL ERFMALQLSH DATA SEQUENCE RAVMADRTLP DLIPAALIDP DPEVQAAARL LAAWDREFTS DSRAALLFEE DATA SEQUENCE WARLFAGQNF AGQAGFATPW SLDKPVSTPY GVRDPKAAVD QLRTAIANTK DATA SEQUENCE RKYGAIDRPF GDASRMILND VNVPGAAGYG NLGSFRVFTW SDPDENGVRT DATA SEQUENCE PVHGETWVAM IEFSTPVRAY GLMSYGNSRQ PGTTHYSDQI ERVSRADFRE DATA SEQUENCE LLLRREQVEA AVQERTPFNF KP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.314 174.600 -0.476 0.000 1.055 1 S CA 0.000 57.788 58.200 -0.686 0.000 1.107 1 S CB 0.000 63.044 63.200 -0.260 0.000 0.593 2 N N 1.242 119.592 118.700 -0.582 0.000 2.292 2 N HA 0.797 5.537 4.740 -0.000 0.000 0.303 2 N C -1.314 174.045 175.510 -0.251 0.000 1.140 2 N CA -0.746 52.046 53.050 -0.430 0.000 0.788 2 N CB 2.076 40.057 38.487 -0.844 0.000 1.361 2 N HN 0.758 nan 8.380 nan 0.000 0.489 3 S N -0.263 115.383 115.700 -0.090 0.000 2.603 3 S HA 0.618 5.088 4.470 -0.000 0.000 0.274 3 S C -1.783 172.997 174.600 0.299 0.000 1.168 3 S CA -0.935 57.316 58.200 0.085 0.000 0.963 3 S CB 1.270 64.578 63.200 0.181 0.000 1.078 3 S HN 0.460 nan 8.310 nan 0.000 0.477 4 W N 1.159 122.612 121.300 0.256 0.000 2.915 4 W HA 0.820 5.480 4.660 -0.000 0.000 0.337 4 W C -0.364 176.349 176.519 0.323 0.000 1.102 4 W CA -1.169 56.365 57.345 0.316 0.000 1.224 4 W CB 2.117 31.794 29.460 0.362 0.000 1.416 4 W HN 1.074 nan 8.180 nan 0.000 0.503 5 A N 1.993 125.113 122.820 0.499 0.000 2.449 5 A HA 0.884 5.204 4.320 -0.000 0.000 0.302 5 A C -1.804 175.915 177.584 0.226 0.000 1.048 5 A CA -0.631 51.585 52.037 0.299 0.000 0.708 5 A CB 1.767 20.902 19.000 0.224 0.000 1.274 5 A HN 0.302 nan 8.150 nan 0.000 0.410 6 V N 1.398 121.359 119.914 0.078 0.000 2.638 6 V HA 0.678 4.798 4.120 -0.000 0.000 0.306 6 V C 0.572 176.656 176.094 -0.016 0.000 1.052 6 V CA -0.333 61.981 62.300 0.023 0.000 0.885 6 V CB 1.548 33.284 31.823 -0.145 0.000 0.999 6 V HN 1.415 nan 8.190 nan 0.000 0.424 7 A N 6.106 128.932 122.820 0.009 0.000 2.332 7 A HA 0.648 4.968 4.320 -0.000 0.000 0.258 7 A C -1.553 176.012 177.584 -0.031 0.000 1.087 7 A CA -1.168 50.861 52.037 -0.015 0.000 0.802 7 A CB 0.210 19.208 19.000 -0.005 0.000 1.042 7 A HN 0.679 nan 8.150 nan 0.000 0.489 8 P HA -0.112 nan 4.420 nan 0.000 0.216 8 P C 1.593 178.874 177.300 -0.031 0.000 1.150 8 P CA 1.847 64.926 63.100 -0.034 0.000 0.837 8 P CB 0.031 31.716 31.700 -0.025 0.000 0.786 9 G N -0.130 108.657 108.800 -0.022 0.000 2.479 9 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.220 9 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.220 9 G C 1.512 176.400 174.900 -0.019 0.000 1.115 9 G CA 0.655 45.745 45.100 -0.017 0.000 0.757 9 G HN 0.317 nan 8.290 nan 0.000 0.560 10 K N 0.304 120.690 120.400 -0.023 0.000 2.374 10 K HA 0.111 4.431 4.320 -0.000 0.000 0.196 10 K C 0.608 177.174 176.600 -0.057 0.000 1.023 10 K CA 0.338 56.607 56.287 -0.029 0.000 1.103 10 K CB 0.241 32.735 32.500 -0.010 0.000 0.848 10 K HN 0.381 nan 8.250 nan 0.000 0.528 11 T N -3.997 110.521 114.554 -0.060 0.000 2.940 11 T HA 0.529 4.879 4.350 -0.000 0.000 0.288 11 T C 1.021 175.688 174.700 -0.055 0.000 1.033 11 T CA -0.571 61.484 62.100 -0.075 0.000 1.033 11 T CB 1.906 70.718 68.868 -0.093 0.000 1.079 11 T HN -0.023 nan 8.240 nan 0.000 0.496 12 A N 1.804 124.591 122.820 -0.055 0.000 1.897 12 A HA 0.015 4.334 4.320 -0.000 0.000 0.215 12 A C 2.090 179.653 177.584 -0.035 0.000 1.181 12 A CA 1.026 53.038 52.037 -0.042 0.000 0.620 12 A CB -0.820 18.156 19.000 -0.040 0.000 0.821 12 A HN 0.784 nan 8.150 nan 0.000 0.443 13 N N -1.312 117.364 118.700 -0.039 0.000 2.415 13 N HA 0.170 4.910 4.740 -0.000 0.000 0.176 13 N C 1.065 176.559 175.510 -0.025 0.000 1.042 13 N CA 1.164 54.196 53.050 -0.030 0.000 0.902 13 N CB 0.318 38.785 38.487 -0.032 0.000 0.986 13 N HN 0.662 nan 8.380 nan 0.000 0.447 14 G N 0.509 109.290 108.800 -0.031 0.000 2.141 14 G HA2 -0.221 3.738 3.960 -0.000 0.000 0.195 14 G HA3 -0.221 3.738 3.960 -0.000 0.000 0.195 14 G C -0.681 174.208 174.900 -0.018 0.000 1.012 14 G CA -0.395 44.690 45.100 -0.024 0.000 0.696 14 G HN 0.426 nan 8.290 nan 0.000 0.508 15 N N 0.073 118.758 118.700 -0.025 0.000 2.258 15 N HA 0.707 5.447 4.740 -0.000 0.000 0.299 15 N C 0.322 175.821 175.510 -0.019 0.000 1.047 15 N CA -0.217 52.831 53.050 -0.004 0.000 0.814 15 N CB 1.770 40.261 38.487 0.006 0.000 1.413 15 N HN 0.593 nan 8.380 nan 0.000 0.478 16 A N 1.861 124.693 122.820 0.020 0.000 2.507 16 A HA 0.339 4.659 4.320 -0.000 0.000 0.235 16 A C -0.362 177.225 177.584 0.005 0.000 1.070 16 A CA 0.167 52.208 52.037 0.006 0.000 0.768 16 A CB 0.010 19.011 19.000 0.001 0.000 1.011 16 A HN 0.629 nan 8.150 nan 0.000 0.502 17 L N 0.900 122.037 121.223 -0.143 0.000 2.354 17 L HA 0.696 5.036 4.340 -0.000 0.000 0.269 17 L C -0.821 175.945 176.870 -0.174 0.000 1.005 17 L CA -0.797 53.820 54.840 -0.371 0.000 0.819 17 L CB 1.783 43.216 42.059 -1.044 0.000 1.311 17 L HN 0.673 nan 8.230 nan 0.000 0.423 18 L N 3.167 124.373 121.223 -0.029 0.000 2.431 18 L HA 0.639 4.979 4.340 -0.000 0.000 0.266 18 L C -1.601 175.481 176.870 0.355 0.000 0.978 18 L CA -0.426 54.550 54.840 0.226 0.000 0.822 18 L CB 2.098 44.310 42.059 0.255 0.000 1.310 18 L HN 0.487 nan 8.230 nan 0.000 0.409 19 L N 3.998 125.486 121.223 0.442 0.000 2.325 19 L HA 0.604 4.944 4.340 -0.000 0.000 0.281 19 L C -1.015 175.925 176.870 0.116 0.000 1.004 19 L CA 0.126 55.103 54.840 0.228 0.000 0.823 19 L CB 1.664 43.788 42.059 0.107 0.000 1.236 19 L HN 0.732 nan 8.230 nan 0.000 0.415 20 Q N 4.609 124.437 119.800 0.047 0.000 2.271 20 Q HA 0.409 4.749 4.340 -0.000 0.000 0.258 20 Q C -0.567 175.340 176.000 -0.156 0.000 0.936 20 Q CA -0.195 55.679 55.803 0.118 0.000 0.909 20 Q CB 1.326 30.287 28.738 0.371 0.000 1.253 20 Q HN 0.739 nan 8.270 nan 0.000 0.440 21 N N 2.157 120.748 118.700 -0.182 0.000 2.658 21 N HA 0.130 4.869 4.740 -0.000 0.000 0.238 21 N C -2.796 172.406 175.510 -0.513 0.000 1.495 21 N CA -1.012 51.806 53.050 -0.387 0.000 0.883 21 N CB 0.947 39.170 38.487 -0.440 0.000 1.463 21 N HN 0.342 nan 8.380 nan 0.000 0.531 22 P HA 0.075 nan 4.420 nan 0.000 0.271 22 P C -1.135 175.938 177.300 -0.377 0.000 1.216 22 P CA 0.571 63.401 63.100 -0.449 0.000 0.771 22 P CB 0.546 31.836 31.700 -0.683 0.000 0.864 23 H N 2.350 121.297 119.070 -0.206 0.000 2.595 23 H HA 0.558 5.114 4.556 -0.000 0.000 0.313 23 H C 0.073 175.207 175.328 -0.322 0.000 1.023 23 H CA -0.733 55.112 56.048 -0.339 0.000 1.218 23 H CB 0.965 30.500 29.762 -0.378 0.000 1.403 23 H HN 0.254 nan 8.280 nan 0.000 0.477 24 L N 0.981 122.104 121.223 -0.168 0.000 2.403 24 L HA 0.305 4.645 4.340 -0.000 0.000 0.253 24 L C 0.176 177.137 176.870 0.153 0.000 1.045 24 L CA -1.117 53.692 54.840 -0.051 0.000 0.845 24 L CB 2.350 44.356 42.059 -0.089 0.000 1.447 24 L HN 0.489 nan 8.230 nan 0.000 0.411 25 S N -0.351 115.552 115.700 0.338 0.000 2.561 25 S HA -0.081 4.388 4.470 -0.000 0.000 0.294 25 S C 0.269 175.202 174.600 0.555 0.000 1.294 25 S CA 0.310 58.762 58.200 0.420 0.000 1.055 25 S CB 0.233 63.660 63.200 0.378 0.000 0.819 25 S HN 0.465 nan 8.310 nan 0.000 0.503 26 W N 2.349 123.783 121.300 0.223 0.000 2.770 26 W HA 0.125 4.785 4.660 -0.000 0.000 0.256 26 W C 2.490 179.095 176.519 0.142 0.000 1.291 26 W CA 0.781 58.313 57.345 0.311 0.000 1.396 26 W CB -1.134 28.494 29.460 0.280 0.000 1.114 26 W HN 0.955 nan 8.180 nan 0.000 0.637 27 T N -5.567 109.166 114.554 0.298 0.000 3.026 27 T HA 0.091 4.441 4.350 -0.000 0.000 0.245 27 T C 0.929 175.631 174.700 0.004 0.000 1.004 27 T CA 0.234 62.411 62.100 0.129 0.000 1.069 27 T CB -0.560 68.381 68.868 0.122 0.000 1.005 27 T HN -0.275 nan 8.240 nan 0.000 0.472 28 T N 4.450 119.006 114.554 0.004 0.000 2.831 28 T HA 0.091 4.441 4.350 -0.000 0.000 0.291 28 T C 1.066 175.554 174.700 -0.352 0.000 0.981 28 T CA 0.361 62.318 62.100 -0.239 0.000 1.174 28 T CB 0.733 69.411 68.868 -0.317 0.000 0.929 28 T HN 0.536 nan 8.240 nan 0.000 0.532 29 D N 3.409 123.566 120.400 -0.405 0.000 2.117 29 D HA -0.226 4.414 4.640 -0.000 0.000 0.197 29 D C 1.716 177.868 176.300 -0.247 0.000 0.987 29 D CA 1.578 55.417 54.000 -0.269 0.000 0.829 29 D CB -0.656 40.037 40.800 -0.179 0.000 0.961 29 D HN 0.824 nan 8.370 nan 0.000 0.460 30 Y N -1.346 118.832 120.300 -0.203 0.000 2.574 30 Y HA 0.206 4.756 4.550 -0.000 0.000 0.294 30 Y C 1.749 177.550 175.900 -0.165 0.000 1.142 30 Y CA -0.068 57.895 58.100 -0.228 0.000 1.314 30 Y CB -1.262 37.021 38.460 -0.295 0.000 0.991 30 Y HN -0.025 nan 8.280 nan 0.000 0.555 31 F N 0.457 120.316 119.950 -0.152 0.000 2.765 31 F HA 0.129 4.656 4.527 -0.000 0.000 0.302 31 F C 0.721 176.365 175.800 -0.260 0.000 1.111 31 F CA -0.405 57.520 58.000 -0.124 0.000 1.359 31 F CB 0.176 39.154 39.000 -0.037 0.000 1.097 31 F HN -0.158 nan 8.300 nan 0.000 0.577 32 T N 1.159 115.670 114.554 -0.073 0.000 2.853 32 T HA -0.022 4.328 4.350 -0.000 0.000 0.298 32 T C -0.521 174.091 174.700 -0.147 0.000 0.978 32 T CA 0.332 62.342 62.100 -0.149 0.000 1.152 32 T CB -0.021 68.716 68.868 -0.218 0.000 0.914 32 T HN -0.013 nan 8.240 nan 0.000 0.539 33 Y N 1.749 122.172 120.300 0.204 0.000 2.307 33 Y HA 0.469 5.019 4.550 -0.000 0.000 0.324 33 Y C -0.055 175.957 175.900 0.188 0.000 1.238 33 Y CA -0.658 57.536 58.100 0.157 0.000 1.280 33 Y CB 0.838 39.349 38.460 0.084 0.000 1.248 33 Y HN 0.600 nan 8.280 nan 0.000 0.508 34 Y N 1.715 122.071 120.300 0.093 0.000 2.457 34 Y HA 0.331 4.881 4.550 -0.000 0.000 0.343 34 Y C -0.979 174.823 175.900 -0.164 0.000 0.994 34 Y CA -1.520 56.566 58.100 -0.024 0.000 1.031 34 Y CB 1.573 40.001 38.460 -0.052 0.000 1.246 34 Y HN 0.665 nan 8.280 nan 0.000 0.449 35 E N 4.300 124.060 120.200 -0.734 0.000 2.179 35 E HA 0.819 5.168 4.350 -0.000 0.000 0.275 35 E C -1.647 174.394 176.600 -0.931 0.000 0.945 35 E CA -0.664 55.258 56.400 -0.797 0.000 0.792 35 E CB 1.349 30.686 29.700 -0.606 0.000 1.125 35 E HN 0.858 nan 8.360 nan 0.000 0.397 36 A N 3.967 126.318 122.820 -0.782 0.000 2.599 36 A HA 0.426 4.745 4.320 -0.000 0.000 0.290 36 A C -1.904 175.298 177.584 -0.637 0.000 1.101 36 A CA -0.627 51.047 52.037 -0.604 0.000 0.674 36 A CB 1.562 20.346 19.000 -0.360 0.000 1.277 36 A HN 0.794 nan 8.150 nan 0.000 0.419 37 H N 0.266 119.039 119.070 -0.495 0.000 2.782 37 H HA 0.619 5.175 4.556 -0.000 0.000 0.347 37 H C -2.135 173.121 175.328 -0.120 0.000 1.038 37 H CA -0.647 55.182 56.048 -0.365 0.000 1.255 37 H CB 1.040 30.657 29.762 -0.241 0.000 1.623 37 H HN 0.441 nan 8.280 nan 0.000 0.525 38 L N 5.688 126.849 121.223 -0.103 0.000 2.333 38 L HA 0.406 4.746 4.340 -0.000 0.000 0.280 38 L C -0.846 175.917 176.870 -0.178 0.000 1.004 38 L CA -0.661 54.131 54.840 -0.080 0.000 0.820 38 L CB 1.860 44.026 42.059 0.180 0.000 1.247 38 L HN 0.383 nan 8.230 nan 0.000 0.416 39 V N 1.780 121.517 119.914 -0.294 0.000 2.525 39 V HA 0.765 4.885 4.120 -0.000 0.000 0.299 39 V C -0.052 175.828 176.094 -0.355 0.000 1.034 39 V CA -0.466 61.641 62.300 -0.322 0.000 0.863 39 V CB 2.083 33.722 31.823 -0.307 0.000 0.999 39 V HN 0.880 nan 8.190 nan 0.000 0.423 40 T N 2.052 116.302 114.554 -0.506 0.000 2.888 40 T HA 0.580 4.930 4.350 -0.000 0.000 0.288 40 T C -2.211 172.342 174.700 -0.245 0.000 1.063 40 T CA -1.911 59.940 62.100 -0.416 0.000 1.010 40 T CB 2.043 70.530 68.868 -0.635 0.000 1.214 40 T HN 0.327 nan 8.240 nan 0.000 0.533 41 P HA 0.077 nan 4.420 nan 0.000 0.222 41 P C 0.451 177.730 177.300 -0.035 0.000 1.147 41 P CA 0.857 63.917 63.100 -0.066 0.000 0.790 41 P CB 0.103 31.784 31.700 -0.032 0.000 0.780 42 D N -2.135 118.240 120.400 -0.041 0.000 2.423 42 D HA 0.133 4.773 4.640 -0.000 0.000 0.212 42 D C 0.571 176.971 176.300 0.167 0.000 1.060 42 D CA 0.399 54.444 54.000 0.074 0.000 0.872 42 D CB 0.335 41.226 40.800 0.151 0.000 1.012 42 D HN 0.253 nan 8.370 nan 0.000 0.503 43 F N 0.069 120.056 119.950 0.061 0.000 2.650 43 F HA 0.691 5.218 4.527 -0.000 0.000 0.320 43 F C -1.106 174.723 175.800 0.049 0.000 1.091 43 F CA -1.281 56.748 58.000 0.048 0.000 0.962 43 F CB 1.774 40.794 39.000 0.033 0.000 1.363 43 F HN -0.323 nan 8.300 nan 0.000 0.482 44 E N 2.289 122.687 120.200 0.329 0.000 2.291 44 E HA 0.621 4.971 4.350 -0.000 0.000 0.276 44 E C -1.902 174.884 176.600 0.310 0.000 0.896 44 E CA -0.859 55.684 56.400 0.238 0.000 0.774 44 E CB 2.498 32.294 29.700 0.160 0.000 1.227 44 E HN 0.871 nan 8.360 nan 0.000 0.413 45 I N 1.318 122.072 120.570 0.306 0.000 2.569 45 I HA 0.562 4.732 4.170 -0.000 0.000 0.290 45 I C -1.749 174.458 176.117 0.150 0.000 1.088 45 I CA -1.062 60.355 61.300 0.194 0.000 1.047 45 I CB 1.691 39.792 38.000 0.168 0.000 1.237 45 I HN 0.556 nan 8.210 nan 0.000 0.421 46 Y N 4.656 124.836 120.300 -0.200 0.000 2.409 46 Y HA 0.853 5.403 4.550 -0.000 0.000 0.343 46 Y C 0.273 175.962 175.900 -0.351 0.000 0.973 46 Y CA 0.527 58.397 58.100 -0.383 0.000 1.064 46 Y CB 1.983 39.912 38.460 -0.886 0.000 1.207 46 Y HN 1.103 nan 8.280 nan 0.000 0.452 47 G N 2.016 110.608 108.800 -0.347 0.000 2.339 47 G HA2 0.427 4.387 3.960 -0.000 0.000 0.275 47 G HA3 0.427 4.387 3.960 -0.000 0.000 0.275 47 G C -1.991 172.567 174.900 -0.569 0.000 1.323 47 G CA -0.392 44.586 45.100 -0.202 0.000 0.927 47 G HN 0.971 nan 8.290 nan 0.000 0.486 48 A N -1.196 121.225 122.820 -0.666 0.000 2.337 48 A HA 0.976 5.296 4.320 -0.000 0.000 0.331 48 A C 0.006 177.563 177.584 -0.044 0.000 1.137 48 A CA 0.299 51.964 52.037 -0.621 0.000 0.807 48 A CB 1.981 20.236 19.000 -1.243 0.000 1.250 48 A HN 1.713 nan 8.150 nan 0.000 0.468 49 T N -0.051 114.586 114.554 0.139 0.000 2.840 49 T HA 0.420 4.770 4.350 -0.000 0.000 0.317 49 T C -1.196 173.608 174.700 0.173 0.000 1.401 49 T CA -0.436 61.808 62.100 0.241 0.000 1.028 49 T CB 1.239 70.155 68.868 0.081 0.000 1.317 49 T HN 0.715 nan 8.240 nan 0.000 0.495 50 Q N 1.968 121.778 119.800 0.016 0.000 2.337 50 Q HA 0.407 4.746 4.340 -0.000 0.000 0.270 50 Q C 0.453 176.429 176.000 -0.040 0.000 1.002 50 Q CA -0.137 55.585 55.803 -0.135 0.000 0.888 50 Q CB 0.170 28.857 28.738 -0.086 0.000 1.222 50 Q HN 0.633 nan 8.270 nan 0.000 0.400 51 I N -1.017 119.516 120.570 -0.061 0.000 2.845 51 I HA 0.163 4.333 4.170 -0.000 0.000 0.296 51 I C 1.103 177.176 176.117 -0.074 0.000 1.216 51 I CA 0.780 62.028 61.300 -0.085 0.000 1.438 51 I CB -0.089 37.834 38.000 -0.128 0.000 1.342 51 I HN 0.804 nan 8.210 nan 0.000 0.577 52 G N 4.765 113.508 108.800 -0.095 0.000 2.176 52 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.253 52 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.253 52 G C 0.029 174.897 174.900 -0.053 0.000 0.979 52 G CA 0.059 45.111 45.100 -0.079 0.000 0.641 52 G HN 0.656 nan 8.290 nan 0.000 0.530 53 L N 1.673 122.874 121.223 -0.037 0.000 2.276 53 L HA 0.370 4.710 4.340 -0.000 0.000 0.286 53 L C -0.573 176.281 176.870 -0.026 0.000 1.061 53 L CA -1.716 53.110 54.840 -0.023 0.000 0.807 53 L CB 1.373 43.425 42.059 -0.012 0.000 1.177 53 L HN -0.030 nan 8.230 nan 0.000 0.429 54 P HA 0.006 nan 4.420 nan 0.000 0.249 54 P C -0.207 177.080 177.300 -0.021 0.000 1.229 54 P CA 0.393 63.467 63.100 -0.044 0.000 0.788 54 P CB 0.197 31.854 31.700 -0.073 0.000 1.072 55 V N -3.096 116.818 119.914 -0.001 0.000 2.876 55 V HA 0.522 4.642 4.120 -0.000 0.000 0.312 55 V C -0.277 175.810 176.094 -0.012 0.000 1.085 55 V CA -1.512 60.810 62.300 0.037 0.000 0.945 55 V CB 2.321 34.208 31.823 0.106 0.000 1.017 55 V HN -0.249 nan 8.190 nan 0.000 0.428 56 I N 3.855 124.429 120.570 0.006 0.000 2.308 56 I HA 0.412 4.582 4.170 -0.000 0.000 0.293 56 I C 1.549 177.612 176.117 -0.090 0.000 1.078 56 I CA -0.207 61.081 61.300 -0.021 0.000 1.292 56 I CB 0.831 38.829 38.000 -0.003 0.000 1.423 56 I HN 0.709 nan 8.210 nan 0.000 0.493 57 R N 4.046 124.432 120.500 -0.189 0.000 2.115 57 R HA -0.015 4.325 4.340 -0.000 0.000 0.230 57 R C -0.037 176.071 176.300 -0.320 0.000 1.111 57 R CA 1.233 57.047 56.100 -0.476 0.000 0.976 57 R CB -0.011 29.941 30.300 -0.580 0.000 0.870 57 R HN 0.378 nan 8.270 nan 0.000 0.445 58 F N 0.873 120.802 119.950 -0.034 0.000 2.359 58 F HA 0.399 4.925 4.527 -0.000 0.000 0.355 58 F C 0.186 176.088 175.800 0.171 0.000 1.132 58 F CA -0.770 57.286 58.000 0.093 0.000 1.246 58 F CB 0.869 39.926 39.000 0.094 0.000 1.569 58 F HN -0.058 nan 8.300 nan 0.000 0.561 59 A N 3.087 126.081 122.820 0.289 0.000 2.337 59 A HA 0.944 5.264 4.320 -0.000 0.000 0.331 59 A C -0.988 176.854 177.584 0.430 0.000 1.137 59 A CA -0.516 51.687 52.037 0.276 0.000 0.807 59 A CB 1.323 20.415 19.000 0.152 0.000 1.250 59 A HN 0.569 nan 8.150 nan 0.000 0.468 60 F N -0.067 120.039 119.950 0.259 0.000 2.745 60 F HA 0.849 5.376 4.527 -0.000 0.000 0.316 60 F C -0.690 175.261 175.800 0.250 0.000 1.155 60 F CA -0.868 57.290 58.000 0.264 0.000 0.937 60 F CB 1.286 40.439 39.000 0.256 0.000 1.361 60 F HN 0.750 nan 8.300 nan 0.000 0.472 61 N N -1.513 117.400 118.700 0.356 0.000 3.449 61 N HA 0.178 4.918 4.740 -0.000 0.000 0.312 61 N C -0.297 175.426 175.510 0.355 0.000 1.557 61 N CA -0.713 52.459 53.050 0.205 0.000 0.864 61 N CB 0.220 38.811 38.487 0.174 0.000 1.799 61 N HN 0.554 nan 8.380 nan 0.000 0.554 62 Q N -0.500 119.445 119.800 0.243 0.000 2.291 62 Q HA -0.047 4.292 4.340 -0.000 0.000 0.206 62 Q C 1.211 177.383 176.000 0.288 0.000 0.976 62 Q CA 1.239 57.182 55.803 0.234 0.000 0.875 62 Q CB 0.056 28.884 28.738 0.150 0.000 0.927 62 Q HN 0.609 nan 8.270 nan 0.000 0.450 63 R N -0.447 120.201 120.500 0.246 0.000 2.123 63 R HA 0.146 4.486 4.340 -0.000 0.000 0.209 63 R C 0.826 177.098 176.300 -0.047 0.000 1.078 63 R CA 0.527 56.706 56.100 0.132 0.000 1.028 63 R CB 0.508 30.859 30.300 0.085 0.000 0.939 63 R HN 0.247 nan 8.270 nan 0.000 0.463 64 M N -2.663 116.928 119.600 -0.015 0.000 2.755 64 M HA 0.669 5.149 4.480 -0.000 0.000 0.273 64 M C -0.924 175.370 176.300 -0.011 0.000 1.278 64 M CA -0.964 54.064 55.300 -0.453 0.000 0.819 64 M CB 2.443 34.803 32.600 -0.400 0.000 1.694 64 M HN -0.020 nan 8.290 nan 0.000 0.460 65 G N 0.611 109.292 108.800 -0.198 0.000 2.601 65 G HA2 0.689 4.649 3.960 -0.000 0.000 0.291 65 G HA3 0.689 4.649 3.960 -0.000 0.000 0.291 65 G C -1.882 173.014 174.900 -0.006 0.000 1.456 65 G CA -0.871 44.346 45.100 0.195 0.000 0.804 65 G HN 1.277 nan 8.290 nan 0.000 0.499 66 I N -2.162 118.494 120.570 0.143 0.000 3.108 66 I HA 0.965 5.134 4.170 -0.000 0.000 0.312 66 I C -0.497 175.715 176.117 0.159 0.000 1.095 66 I CA -0.968 60.412 61.300 0.133 0.000 1.000 66 I CB 2.513 40.628 38.000 0.192 0.000 1.229 66 I HN 0.674 nan 8.210 nan 0.000 0.454 67 T N 0.869 115.487 114.554 0.107 0.000 2.816 67 T HA 0.478 4.828 4.350 -0.000 0.000 0.299 67 T C -1.536 173.102 174.700 -0.104 0.000 1.230 67 T CA -0.734 61.370 62.100 0.007 0.000 1.007 67 T CB 1.708 70.725 68.868 0.248 0.000 1.289 67 T HN 0.829 nan 8.240 nan 0.000 0.508 68 N N 1.157 119.671 118.700 -0.310 0.000 2.265 68 N HA 0.651 5.391 4.740 -0.000 0.000 0.300 68 N C -1.130 174.414 175.510 0.056 0.000 1.148 68 N CA -0.619 52.303 53.050 -0.215 0.000 0.772 68 N CB 2.340 40.444 38.487 -0.637 0.000 1.434 68 N HN 0.827 nan 8.380 nan 0.000 0.481 69 T N -2.945 111.681 114.554 0.120 0.000 2.900 69 T HA 0.328 4.677 4.350 -0.000 0.000 0.303 69 T C -0.341 174.515 174.700 0.260 0.000 1.142 69 T CA -0.636 61.562 62.100 0.162 0.000 1.007 69 T CB 1.054 69.992 68.868 0.116 0.000 1.156 69 T HN 0.085 nan 8.240 nan 0.000 0.490 70 V N 3.854 123.922 119.914 0.257 0.000 2.599 70 V HA 0.135 4.255 4.120 -0.000 0.000 0.300 70 V C 1.227 177.385 176.094 0.107 0.000 1.034 70 V CA 0.419 62.864 62.300 0.242 0.000 1.115 70 V CB 0.074 32.008 31.823 0.185 0.000 0.934 70 V HN 1.048 nan 8.190 nan 0.000 0.485 71 N N 3.157 121.852 118.700 -0.008 0.000 2.197 71 N HA 0.155 4.895 4.740 -0.000 0.000 0.201 71 N C 1.214 176.689 175.510 -0.059 0.000 1.148 71 N CA 0.559 53.550 53.050 -0.098 0.000 0.883 71 N CB 0.578 38.775 38.487 -0.483 0.000 1.012 71 N HN 0.898 nan 8.380 nan 0.000 0.507 72 G N 0.856 109.618 108.800 -0.063 0.000 2.168 72 G HA2 -0.374 3.585 3.960 -0.000 0.000 0.257 72 G HA3 -0.374 3.585 3.960 -0.000 0.000 0.257 72 G C 0.086 174.962 174.900 -0.039 0.000 0.997 72 G CA 0.480 45.564 45.100 -0.026 0.000 0.708 72 G HN 0.571 nan 8.290 nan 0.000 0.520 73 M N 0.821 120.335 119.600 -0.143 0.000 2.366 73 M HA 0.219 4.698 4.480 -0.000 0.000 0.414 73 M C 0.646 176.907 176.300 -0.064 0.000 1.578 73 M CA 0.505 55.734 55.300 -0.117 0.000 0.892 73 M CB 0.402 32.848 32.600 -0.257 0.000 2.082 73 M HN 0.284 nan 8.290 nan 0.000 0.498 74 V N 7.101 127.013 119.914 -0.004 0.000 2.287 74 V HA 0.277 4.397 4.120 -0.000 0.000 0.246 74 V C 1.348 177.384 176.094 -0.096 0.000 1.165 74 V CA 0.482 62.773 62.300 -0.015 0.000 1.088 74 V CB -0.711 31.140 31.823 0.047 0.000 1.242 74 V HN 1.053 nan 8.190 nan 0.000 0.497 75 G N 2.810 111.555 108.800 -0.091 0.000 3.337 75 G HA2 0.576 4.535 3.960 -0.000 0.000 0.246 75 G HA3 0.576 4.535 3.960 -0.000 0.000 0.246 75 G C 0.327 175.213 174.900 -0.024 0.000 1.131 75 G CA 0.660 45.687 45.100 -0.121 0.000 0.773 75 G HN 0.837 nan 8.290 nan 0.000 0.544 76 A N -0.694 122.153 122.820 0.044 0.000 2.556 76 A HA 0.865 5.185 4.320 -0.000 0.000 0.294 76 A C -0.759 176.962 177.584 0.229 0.000 1.091 76 A CA -0.472 51.683 52.037 0.196 0.000 0.704 76 A CB 1.640 20.714 19.000 0.124 0.000 1.300 76 A HN 0.058 nan 8.150 nan 0.000 0.406 77 T N 1.358 116.107 114.554 0.325 0.000 2.886 77 T HA 0.479 4.829 4.350 -0.000 0.000 0.292 77 T C -0.785 173.868 174.700 -0.079 0.000 1.012 77 T CA -0.421 61.762 62.100 0.138 0.000 0.982 77 T CB 1.142 70.181 68.868 0.284 0.000 1.018 77 T HN 0.641 nan 8.240 nan 0.000 0.451 78 N N 1.340 119.906 118.700 -0.223 0.000 2.408 78 N HA 0.517 5.257 4.740 -0.000 0.000 0.280 78 N C -1.541 173.749 175.510 -0.366 0.000 1.002 78 N CA -0.578 52.364 53.050 -0.179 0.000 0.907 78 N CB 1.177 39.606 38.487 -0.098 0.000 1.161 78 N HN 0.504 nan 8.380 nan 0.000 0.488 79 Y N 0.560 120.788 120.300 -0.119 0.000 2.352 79 Y HA 0.340 4.890 4.550 -0.000 0.000 0.339 79 Y C 0.374 176.172 175.900 -0.171 0.000 0.992 79 Y CA -0.975 56.997 58.100 -0.214 0.000 1.100 79 Y CB 1.215 39.380 38.460 -0.492 0.000 1.192 79 Y HN 0.276 nan 8.280 nan 0.000 0.458 80 R N 4.646 125.148 120.500 0.004 0.000 2.248 80 R HA 0.372 4.712 4.340 -0.000 0.000 0.328 80 R C -1.289 175.041 176.300 0.051 0.000 1.067 80 R CA -0.185 55.923 56.100 0.013 0.000 0.924 80 R CB 0.133 30.427 30.300 -0.010 0.000 1.013 80 R HN 0.780 nan 8.270 nan 0.000 0.454 81 L N 3.351 124.609 121.223 0.059 0.000 2.357 81 L HA 0.310 4.650 4.340 -0.000 0.000 0.273 81 L C 0.222 177.175 176.870 0.139 0.000 1.080 81 L CA -0.541 54.363 54.840 0.106 0.000 0.803 81 L CB 1.851 43.971 42.059 0.101 0.000 1.174 81 L HN 0.614 nan 8.230 nan 0.000 0.443 82 T N 3.588 118.252 114.554 0.184 0.000 2.781 82 T HA 0.367 4.717 4.350 -0.000 0.000 0.305 82 T C -0.142 174.674 174.700 0.193 0.000 1.001 82 T CA -0.586 61.610 62.100 0.161 0.000 0.950 82 T CB 0.466 69.418 68.868 0.141 0.000 0.955 82 T HN 0.074 nan 8.240 nan 0.000 0.471 83 L N 3.623 124.954 121.223 0.181 0.000 2.380 83 L HA 0.438 4.777 4.340 -0.000 0.000 0.273 83 L C 0.358 177.309 176.870 0.136 0.000 1.138 83 L CA 0.381 55.342 54.840 0.202 0.000 0.832 83 L CB 0.399 42.575 42.059 0.195 0.000 1.124 83 L HN 0.671 nan 8.230 nan 0.000 0.454 84 Q N 2.439 122.310 119.800 0.119 0.000 2.364 84 Q HA 0.185 4.525 4.340 -0.000 0.000 0.257 84 Q C -1.366 174.664 176.000 0.052 0.000 0.956 84 Q CA -0.550 55.294 55.803 0.070 0.000 0.924 84 Q CB 1.377 30.142 28.738 0.046 0.000 1.413 84 Q HN 0.714 nan 8.270 nan 0.000 0.418 85 D N 3.096 123.525 120.400 0.048 0.000 2.697 85 D HA -0.221 4.419 4.640 -0.000 0.000 0.238 85 D C 0.748 177.079 176.300 0.052 0.000 1.152 85 D CA 1.747 55.769 54.000 0.036 0.000 0.666 85 D CB -1.147 39.659 40.800 0.011 0.000 1.037 85 D HN 1.126 nan 8.370 nan 0.000 0.423 86 G N -1.324 107.532 108.800 0.094 0.000 2.228 86 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.270 86 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.270 86 G C 0.757 175.793 174.900 0.228 0.000 0.976 86 G CA 1.077 46.263 45.100 0.144 0.000 0.636 86 G HN 0.927 nan 8.290 nan 0.000 0.542 87 G N -0.872 107.993 108.800 0.109 0.000 3.008 87 G HA2 0.815 4.774 3.960 -0.000 0.000 0.181 87 G HA3 0.815 4.774 3.960 -0.000 0.000 0.181 87 G C -0.577 174.297 174.900 -0.044 0.000 1.309 87 G CA -0.334 44.725 45.100 -0.069 0.000 1.009 87 G HN 1.256 nan 8.290 nan 0.000 0.584 88 Y N -1.832 118.243 120.300 -0.375 0.000 2.477 88 Y HA 0.720 5.270 4.550 -0.000 0.000 0.347 88 Y C -0.865 174.989 175.900 -0.077 0.000 0.981 88 Y CA -1.787 56.200 58.100 -0.190 0.000 1.033 88 Y CB 1.529 39.831 38.460 -0.262 0.000 1.245 88 Y HN 0.453 nan 8.280 nan 0.000 0.455 89 L N 4.462 125.741 121.223 0.093 0.000 2.360 89 L HA 0.385 4.725 4.340 -0.000 0.000 0.276 89 L C -1.503 175.487 176.870 0.201 0.000 1.121 89 L CA 0.012 54.891 54.840 0.065 0.000 0.845 89 L CB -0.053 42.055 42.059 0.082 0.000 1.143 89 L HN 0.750 nan 8.230 nan 0.000 0.452 90 Y N 4.573 124.834 120.300 -0.065 0.000 2.298 90 Y HA 0.263 4.813 4.550 -0.000 0.000 0.322 90 Y C -0.432 175.445 175.900 -0.038 0.000 1.138 90 Y CA -1.020 57.074 58.100 -0.009 0.000 1.127 90 Y CB 0.763 39.192 38.460 -0.051 0.000 1.178 90 Y HN 0.786 nan 8.280 nan 0.000 0.428 91 D N 4.521 124.725 120.400 -0.326 0.000 2.699 91 D HA -0.165 4.475 4.640 -0.000 0.000 0.239 91 D C 1.196 177.433 176.300 -0.104 0.000 1.136 91 D CA 2.201 56.054 54.000 -0.244 0.000 0.668 91 D CB -1.086 39.546 40.800 -0.280 0.000 1.060 91 D HN 1.331 nan 8.370 nan 0.000 0.429 92 G N -0.703 108.059 108.800 -0.063 0.000 2.212 92 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.266 92 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.266 92 G C 0.274 175.156 174.900 -0.030 0.000 0.978 92 G CA 0.862 45.941 45.100 -0.035 0.000 0.632 92 G HN 0.540 nan 8.290 nan 0.000 0.537 93 Q N -0.955 118.823 119.800 -0.037 0.000 2.397 93 Q HA 0.634 4.973 4.340 -0.000 0.000 0.275 93 Q C -0.221 175.729 176.000 -0.082 0.000 1.090 93 Q CA -0.904 54.870 55.803 -0.049 0.000 0.809 93 Q CB 3.073 31.780 28.738 -0.051 0.000 1.362 93 Q HN 0.172 nan 8.270 nan 0.000 0.431 94 V N 2.113 121.965 119.914 -0.103 0.000 2.508 94 V HA 0.240 4.360 4.120 -0.000 0.000 0.281 94 V C -0.123 175.813 176.094 -0.263 0.000 1.041 94 V CA 0.183 62.381 62.300 -0.171 0.000 1.016 94 V CB 0.759 32.515 31.823 -0.112 0.000 0.984 94 V HN 0.559 nan 8.190 nan 0.000 0.478 95 R N 7.105 127.303 120.500 -0.504 0.000 2.480 95 R HA 0.475 4.815 4.340 -0.000 0.000 0.306 95 R C -2.706 173.184 176.300 -0.683 0.000 0.958 95 R CA -1.931 53.793 56.100 -0.627 0.000 0.861 95 R CB 2.255 32.026 30.300 -0.882 0.000 1.171 95 R HN 0.456 nan 8.270 nan 0.000 0.445 96 P HA 0.052 nan 4.420 nan 0.000 0.271 96 P C -0.803 176.422 177.300 -0.125 0.000 1.218 96 P CA 0.056 63.041 63.100 -0.191 0.000 0.780 96 P CB 0.523 32.180 31.700 -0.071 0.000 0.901 97 F N 0.040 120.058 119.950 0.113 0.000 2.418 97 F HA 0.154 4.681 4.527 -0.000 0.000 0.341 97 F C 1.690 177.517 175.800 0.044 0.000 1.120 97 F CA -0.076 58.006 58.000 0.136 0.000 1.232 97 F CB 0.363 39.415 39.000 0.087 0.000 1.175 97 F HN 0.318 nan 8.300 nan 0.000 0.569 98 E N 2.479 122.817 120.200 0.231 0.000 2.384 98 E HA 0.202 4.552 4.350 -0.000 0.000 0.266 98 E C -0.625 176.034 176.600 0.099 0.000 1.012 98 E CA -0.335 56.133 56.400 0.115 0.000 0.901 98 E CB 0.566 30.305 29.700 0.066 0.000 0.967 98 E HN 0.542 nan 8.360 nan 0.000 0.435 99 R N 2.741 123.272 120.500 0.051 0.000 2.564 99 R HA 0.505 4.844 4.340 -0.000 0.000 0.284 99 R C -1.108 175.189 176.300 -0.004 0.000 1.031 99 R CA -1.052 55.053 56.100 0.009 0.000 0.904 99 R CB 1.372 31.675 30.300 0.004 0.000 1.199 99 R HN 0.402 nan 8.270 nan 0.000 0.443 100 R N 1.442 121.930 120.500 -0.020 0.000 2.803 100 R HA 0.392 4.732 4.340 -0.000 0.000 0.276 100 R C -0.897 175.390 176.300 -0.020 0.000 0.978 100 R CA -1.239 54.852 56.100 -0.016 0.000 0.939 100 R CB 1.470 31.761 30.300 -0.014 0.000 1.179 100 R HN 0.419 nan 8.270 nan 0.000 0.472 101 Q N 1.351 121.143 119.800 -0.013 0.000 2.390 101 Q HA 0.415 4.755 4.340 -0.000 0.000 0.249 101 Q C -0.496 175.501 176.000 -0.005 0.000 0.996 101 Q CA -0.329 55.466 55.803 -0.013 0.000 0.899 101 Q CB 1.655 30.385 28.738 -0.013 0.000 1.216 101 Q HN 0.758 nan 8.270 nan 0.000 0.465 102 A N 2.173 124.995 122.820 0.004 0.000 2.298 102 A HA 0.875 5.195 4.320 -0.000 0.000 0.302 102 A C -0.055 177.545 177.584 0.027 0.000 1.177 102 A CA -0.206 51.845 52.037 0.023 0.000 0.912 102 A CB 0.980 20.003 19.000 0.039 0.000 1.331 102 A HN 0.757 nan 8.150 nan 0.000 0.504 103 S N -2.084 113.647 115.700 0.052 0.000 2.587 103 S HA 0.713 5.183 4.470 -0.000 0.000 0.269 103 S C -1.089 173.581 174.600 0.116 0.000 1.154 103 S CA -0.391 57.820 58.200 0.019 0.000 0.824 103 S CB 0.807 63.979 63.200 -0.047 0.000 1.118 103 S HN 1.835 nan 8.310 nan 0.000 0.462 104 Y N -0.986 119.309 120.300 -0.009 0.000 2.615 104 Y HA 0.884 5.433 4.550 -0.000 0.000 0.341 104 Y C -0.773 175.123 175.900 -0.007 0.000 1.089 104 Y CA -1.408 56.688 58.100 -0.007 0.000 1.049 104 Y CB 0.837 39.294 38.460 -0.005 0.000 1.296 104 Y HN 0.725 nan 8.280 nan 0.000 0.470 105 R N 1.482 122.060 120.500 0.131 0.000 2.368 105 R HA 0.604 4.944 4.340 -0.000 0.000 0.302 105 R C -1.634 174.748 176.300 0.137 0.000 1.002 105 R CA -0.706 55.424 56.100 0.051 0.000 0.929 105 R CB 1.410 31.734 30.300 0.040 0.000 1.073 105 R HN 0.729 nan 8.270 nan 0.000 0.464 106 L N 2.439 123.699 121.223 0.062 0.000 2.342 106 L HA 0.432 4.772 4.340 -0.000 0.000 0.276 106 L C -0.369 176.530 176.870 0.047 0.000 0.997 106 L CA -0.419 54.481 54.840 0.100 0.000 0.838 106 L CB 1.254 43.374 42.059 0.101 0.000 1.224 106 L HN 0.516 nan 8.230 nan 0.000 0.416 107 R N 3.566 124.094 120.500 0.046 0.000 2.538 107 R HA 0.132 4.471 4.340 -0.000 0.000 0.282 107 R C -0.427 175.885 176.300 0.019 0.000 1.009 107 R CA -0.005 56.110 56.100 0.025 0.000 1.063 107 R CB 0.471 30.783 30.300 0.020 0.000 0.945 107 R HN 0.638 nan 8.270 nan 0.000 0.414 108 Q N 2.008 121.814 119.800 0.010 0.000 2.185 108 Q HA 0.200 4.540 4.340 -0.000 0.000 0.225 108 Q C 0.969 176.972 176.000 0.004 0.000 0.983 108 Q CA 0.170 55.977 55.803 0.006 0.000 0.950 108 Q CB 1.225 29.963 28.738 0.000 0.000 1.176 108 Q HN 0.788 nan 8.270 nan 0.000 0.510 109 A N 1.247 124.069 122.820 0.002 0.000 1.917 109 A HA -0.231 4.089 4.320 -0.000 0.000 0.219 109 A C 1.041 178.624 177.584 -0.001 0.000 1.182 109 A CA 2.372 54.409 52.037 0.001 0.000 0.633 109 A CB -0.630 18.370 19.000 -0.000 0.000 0.819 109 A HN 0.792 nan 8.150 nan 0.000 0.448 110 D N -2.268 118.131 120.400 -0.001 0.000 2.325 110 D HA 0.336 4.976 4.640 -0.000 0.000 0.234 110 D C 1.076 177.374 176.300 -0.002 0.000 1.122 110 D CA 0.753 54.751 54.000 -0.002 0.000 0.850 110 D CB -0.715 40.083 40.800 -0.003 0.000 0.921 110 D HN 0.767 nan 8.370 nan 0.000 0.513 111 G N -0.010 108.789 108.800 -0.001 0.000 2.189 111 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.267 111 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.267 111 G C 0.614 175.514 174.900 -0.001 0.000 0.975 111 G CA 0.867 45.966 45.100 -0.001 0.000 0.644 111 G HN 0.796 nan 8.290 nan 0.000 0.537 112 T N -1.116 113.438 114.554 -0.001 0.000 2.824 112 T HA 0.665 5.014 4.350 -0.000 0.000 0.277 112 T C 0.421 175.120 174.700 -0.001 0.000 0.975 112 T CA 0.567 62.666 62.100 -0.002 0.000 0.966 112 T CB 1.782 70.647 68.868 -0.005 0.000 1.054 112 T HN 1.219 nan 8.240 nan 0.000 0.533 113 T N -1.471 113.081 114.554 -0.003 0.000 2.912 113 T HA 0.660 5.010 4.350 -0.000 0.000 0.288 113 T C -0.084 174.607 174.700 -0.015 0.000 1.030 113 T CA -0.822 61.276 62.100 -0.002 0.000 1.020 113 T CB 1.260 70.130 68.868 0.004 0.000 1.056 113 T HN 1.130 nan 8.240 nan 0.000 0.480 114 V N -0.882 119.016 119.914 -0.026 0.000 2.581 114 V HA 0.614 4.734 4.120 -0.000 0.000 0.303 114 V C -0.855 175.189 176.094 -0.083 0.000 1.041 114 V CA -1.048 61.223 62.300 -0.048 0.000 0.907 114 V CB 1.480 33.272 31.823 -0.051 0.000 0.994 114 V HN 0.848 nan 8.190 nan 0.000 0.442 115 D N 3.332 123.677 120.400 -0.091 0.000 2.343 115 D HA 0.351 4.990 4.640 -0.000 0.000 0.255 115 D C -0.172 176.008 176.300 -0.200 0.000 1.187 115 D CA 0.295 54.217 54.000 -0.130 0.000 0.875 115 D CB 1.208 41.956 40.800 -0.088 0.000 1.136 115 D HN 0.608 nan 8.370 nan 0.000 0.469 116 K N 3.634 123.812 120.400 -0.370 0.000 2.274 116 K HA 0.354 4.674 4.320 -0.000 0.000 0.262 116 K C -2.398 173.957 176.600 -0.409 0.000 0.961 116 K CA -1.781 54.239 56.287 -0.444 0.000 0.833 116 K CB 2.197 34.292 32.500 -0.674 0.000 1.102 116 K HN 0.203 nan 8.250 nan 0.000 0.436 117 P HA 0.039 nan 4.420 nan 0.000 0.271 117 P C -1.029 176.232 177.300 -0.066 0.000 1.216 117 P CA -0.434 62.597 63.100 -0.115 0.000 0.776 117 P CB 0.713 32.369 31.700 -0.074 0.000 0.881 118 L N 2.062 123.289 121.223 0.007 0.000 2.471 118 L HA 0.352 4.692 4.340 -0.000 0.000 0.263 118 L C -0.127 176.755 176.870 0.020 0.000 0.985 118 L CA -0.698 54.186 54.840 0.074 0.000 0.868 118 L CB 1.249 43.441 42.059 0.223 0.000 1.203 118 L HN 0.320 nan 8.230 nan 0.000 0.429 119 E N 4.752 124.944 120.200 -0.014 0.000 2.324 119 E HA 0.306 4.656 4.350 -0.000 0.000 0.271 119 E C -1.007 175.546 176.600 -0.079 0.000 1.028 119 E CA -0.126 56.246 56.400 -0.046 0.000 0.890 119 E CB 0.648 30.312 29.700 -0.061 0.000 1.004 119 E HN 0.680 nan 8.360 nan 0.000 0.431 120 I N 5.615 126.135 120.570 -0.084 0.000 2.328 120 I HA 0.321 4.490 4.170 -0.000 0.000 0.287 120 I C 0.221 176.254 176.117 -0.141 0.000 1.012 120 I CA -0.494 60.729 61.300 -0.130 0.000 1.195 120 I CB 1.169 39.111 38.000 -0.097 0.000 1.350 120 I HN 0.414 nan 8.210 nan 0.000 0.464 121 R N 4.164 124.534 120.500 -0.217 0.000 2.474 121 R HA 0.732 5.071 4.340 -0.000 0.000 0.295 121 R C -0.816 175.378 176.300 -0.178 0.000 0.980 121 R CA -0.578 55.390 56.100 -0.220 0.000 0.934 121 R CB 2.078 32.111 30.300 -0.445 0.000 1.101 121 R HN 0.543 nan 8.270 nan 0.000 0.469 122 S N 0.333 116.024 115.700 -0.015 0.000 2.569 122 S HA 0.445 4.915 4.470 -0.000 0.000 0.280 122 S C -0.698 174.008 174.600 0.178 0.000 1.111 122 S CA -0.938 57.279 58.200 0.028 0.000 0.887 122 S CB 2.025 65.219 63.200 -0.011 0.000 1.095 122 S HN 0.705 nan 8.310 nan 0.000 0.476 123 S N 0.082 115.806 115.700 0.039 0.000 2.786 123 S HA 0.538 5.008 4.470 -0.000 0.000 0.307 123 S C 1.332 175.827 174.600 -0.174 0.000 1.121 123 S CA -0.383 57.723 58.200 -0.157 0.000 0.975 123 S CB 0.222 63.091 63.200 -0.553 0.000 1.220 123 S HN 0.703 nan 8.310 nan 0.000 0.550 124 V N -0.482 119.230 119.914 -0.336 0.000 2.594 124 V HA -0.148 3.972 4.120 -0.000 0.000 0.253 124 V C 2.095 177.934 176.094 -0.425 0.000 1.069 124 V CA 2.037 64.095 62.300 -0.404 0.000 1.082 124 V CB -2.105 29.376 31.823 -0.570 0.000 0.680 124 V HN 0.918 nan 8.190 nan 0.000 0.469 125 H N 1.480 120.335 119.070 -0.358 0.000 2.299 125 H HA 0.442 4.998 4.556 -0.000 0.000 0.302 125 H C 1.357 176.571 175.328 -0.190 0.000 1.078 125 H CA 1.382 57.212 56.048 -0.364 0.000 1.323 125 H CB -0.293 29.177 29.762 -0.487 0.000 1.381 125 H HN 0.713 nan 8.280 nan 0.000 0.498 126 G N -1.442 107.366 108.800 0.014 0.000 2.344 126 G HA2 0.158 4.118 3.960 -0.000 0.000 0.282 126 G HA3 0.158 4.118 3.960 -0.000 0.000 0.282 126 G C -2.868 172.034 174.900 0.004 0.000 1.281 126 G CA -1.093 44.018 45.100 0.018 0.000 0.877 126 G HN -0.090 nan 8.290 nan 0.000 0.494 127 P HA 0.405 nan 4.420 nan 0.000 0.268 127 P C -0.259 176.928 177.300 -0.188 0.000 1.205 127 P CA -0.157 62.862 63.100 -0.134 0.000 0.771 127 P CB 1.150 32.761 31.700 -0.150 0.000 0.858 128 V N 4.440 124.145 119.914 -0.349 0.000 2.398 128 V HA 0.406 4.526 4.120 -0.000 0.000 0.286 128 V C -0.142 175.651 176.094 -0.501 0.000 1.026 128 V CA -0.181 61.946 62.300 -0.289 0.000 0.868 128 V CB 0.277 31.932 31.823 -0.279 0.000 0.982 128 V HN 0.352 nan 8.190 nan 0.000 0.443 129 F N 2.002 121.914 119.950 -0.064 0.000 2.508 129 F HA 0.484 5.011 4.527 -0.000 0.000 0.325 129 F C 0.352 176.120 175.800 -0.053 0.000 1.090 129 F CA -0.631 57.336 58.000 -0.056 0.000 0.945 129 F CB 1.799 40.777 39.000 -0.038 0.000 1.156 129 F HN 0.453 nan 8.300 nan 0.000 0.463 130 E N 3.814 124.086 120.200 0.120 0.000 2.146 130 E HA 0.310 4.660 4.350 -0.000 0.000 0.282 130 E C -0.409 176.234 176.600 0.072 0.000 0.989 130 E CA -0.650 55.789 56.400 0.065 0.000 0.799 130 E CB 0.784 30.495 29.700 0.018 0.000 1.088 130 E HN 0.575 nan 8.360 nan 0.000 0.397 131 R N 2.278 122.808 120.500 0.050 0.000 2.679 131 R HA 0.155 4.495 4.340 -0.000 0.000 0.269 131 R C 1.106 177.417 176.300 0.019 0.000 1.076 131 R CA 0.354 56.470 56.100 0.027 0.000 1.160 131 R CB 0.640 30.947 30.300 0.012 0.000 1.054 131 R HN 0.693 nan 8.270 nan 0.000 0.507 132 A N 1.825 124.651 122.820 0.010 0.000 1.986 132 A HA -0.229 4.091 4.320 -0.000 0.000 0.220 132 A C 1.392 178.980 177.584 0.007 0.000 1.171 132 A CA 2.142 54.184 52.037 0.008 0.000 0.640 132 A CB -0.492 18.509 19.000 0.002 0.000 0.811 132 A HN 0.874 nan 8.150 nan 0.000 0.451 133 D N -2.755 117.649 120.400 0.006 0.000 2.340 133 D HA 0.296 4.936 4.640 -0.000 0.000 0.220 133 D C 1.143 177.449 176.300 0.010 0.000 1.039 133 D CA 1.062 55.066 54.000 0.006 0.000 0.866 133 D CB -0.363 40.438 40.800 0.002 0.000 0.913 133 D HN 0.805 nan 8.370 nan 0.000 0.523 134 G N -0.664 108.144 108.800 0.014 0.000 2.195 134 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.224 134 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.224 134 G C 0.378 175.292 174.900 0.024 0.000 0.990 134 G CA 0.105 45.216 45.100 0.018 0.000 0.639 134 G HN 0.413 nan 8.290 nan 0.000 0.514 135 T N 2.166 116.733 114.554 0.022 0.000 2.784 135 T HA 0.506 4.856 4.350 -0.000 0.000 0.291 135 T C 0.746 175.468 174.700 0.035 0.000 0.942 135 T CA 0.682 62.798 62.100 0.026 0.000 1.161 135 T CB 1.294 70.170 68.868 0.014 0.000 0.885 135 T HN 1.340 nan 8.240 nan 0.000 0.534 136 A N 4.202 127.049 122.820 0.044 0.000 2.404 136 A HA 0.533 4.852 4.320 -0.000 0.000 0.273 136 A C -0.057 177.558 177.584 0.051 0.000 1.144 136 A CA -0.484 51.581 52.037 0.048 0.000 0.806 136 A CB 0.178 19.222 19.000 0.073 0.000 1.080 136 A HN 0.692 nan 8.150 nan 0.000 0.509 137 V N 2.357 122.310 119.914 0.064 0.000 2.577 137 V HA 0.636 4.756 4.120 -0.000 0.000 0.303 137 V C 0.338 176.498 176.094 0.111 0.000 1.042 137 V CA -0.338 62.008 62.300 0.076 0.000 0.872 137 V CB 1.525 33.397 31.823 0.081 0.000 0.998 137 V HN 1.161 nan 8.190 nan 0.000 0.423 138 A N 4.116 126.983 122.820 0.080 0.000 2.305 138 A HA 0.823 5.143 4.320 -0.000 0.000 0.322 138 A C -0.665 177.045 177.584 0.210 0.000 1.187 138 A CA -0.576 51.522 52.037 0.103 0.000 0.825 138 A CB 1.636 20.628 19.000 -0.014 0.000 1.164 138 A HN 0.896 nan 8.150 nan 0.000 0.498 139 V N 3.410 123.466 119.914 0.236 0.000 2.417 139 V HA 0.669 4.789 4.120 -0.000 0.000 0.291 139 V C -0.077 176.154 176.094 0.229 0.000 1.024 139 V CA -0.720 61.722 62.300 0.236 0.000 0.861 139 V CB 1.371 33.324 31.823 0.217 0.000 0.985 139 V HN 0.927 nan 8.190 nan 0.000 0.436 140 R N 5.312 125.975 120.500 0.272 0.000 2.371 140 R HA 0.651 4.991 4.340 -0.000 0.000 0.312 140 R C -1.854 174.648 176.300 0.338 0.000 0.980 140 R CA -0.443 55.793 56.100 0.227 0.000 0.867 140 R CB 1.694 32.087 30.300 0.156 0.000 1.163 140 R HN 0.588 nan 8.270 nan 0.000 0.492 141 V N 4.075 124.150 119.914 0.268 0.000 2.370 141 V HA 0.478 4.598 4.120 -0.000 0.000 0.279 141 V C 0.499 176.800 176.094 0.345 0.000 1.029 141 V CA -0.810 61.654 62.300 0.275 0.000 0.870 141 V CB 1.285 33.198 31.823 0.150 0.000 0.984 141 V HN 0.918 nan 8.190 nan 0.000 0.451 142 A N 3.650 126.703 122.820 0.388 0.000 2.407 142 A HA 0.596 4.915 4.320 -0.000 0.000 0.248 142 A C 1.387 179.051 177.584 0.133 0.000 1.082 142 A CA 0.519 52.731 52.037 0.292 0.000 0.785 142 A CB 0.003 18.996 19.000 -0.013 0.000 1.020 142 A HN 2.191 nan 8.150 nan 0.000 0.489 143 G N 0.508 109.377 108.800 0.116 0.000 2.136 143 G HA2 -0.211 3.748 3.960 -0.000 0.000 0.242 143 G HA3 -0.211 3.748 3.960 -0.000 0.000 0.242 143 G C 0.569 175.502 174.900 0.054 0.000 0.989 143 G CA 0.340 45.475 45.100 0.057 0.000 0.682 143 G HN 0.815 nan 8.290 nan 0.000 0.522 144 L N 0.552 121.820 121.223 0.075 0.000 2.551 144 L HA 0.023 4.363 4.340 -0.000 0.000 0.230 144 L C 1.885 178.779 176.870 0.040 0.000 1.163 144 L CA 1.689 56.562 54.840 0.056 0.000 0.826 144 L CB -0.176 41.920 42.059 0.062 0.000 0.943 144 L HN 0.542 nan 8.230 nan 0.000 0.452 145 D N -1.360 119.064 120.400 0.040 0.000 2.593 145 D HA 0.003 4.643 4.640 -0.000 0.000 0.241 145 D C 0.368 176.680 176.300 0.020 0.000 1.257 145 D CA -0.289 53.728 54.000 0.029 0.000 0.828 145 D CB 0.317 41.136 40.800 0.032 0.000 1.049 145 D HN 0.000 nan 8.370 nan 0.000 0.490 146 R N 1.839 122.349 120.500 0.018 0.000 2.575 146 R HA 0.273 4.613 4.340 -0.000 0.000 0.281 146 R C -1.890 174.417 176.300 0.011 0.000 1.272 146 R CA -1.486 54.619 56.100 0.009 0.000 1.417 146 R CB 0.710 31.010 30.300 0.001 0.000 1.121 146 R HN 0.117 nan 8.270 nan 0.000 0.583 147 P HA -0.014 nan 4.420 nan 0.000 0.237 147 P C 0.834 178.143 177.300 0.015 0.000 1.178 147 P CA 0.602 63.709 63.100 0.013 0.000 0.766 147 P CB 0.367 32.073 31.700 0.010 0.000 0.876 148 G N -0.433 108.374 108.800 0.012 0.000 3.314 148 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.238 148 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.238 148 G C 1.186 176.101 174.900 0.026 0.000 1.184 148 G CA -0.187 44.922 45.100 0.015 0.000 0.806 148 G HN 0.038 nan 8.290 nan 0.000 0.536 149 M N 0.345 119.968 119.600 0.039 0.000 2.110 149 M HA -0.097 4.383 4.480 -0.000 0.000 0.257 149 M C 2.360 178.743 176.300 0.138 0.000 1.071 149 M CA 1.651 56.994 55.300 0.073 0.000 1.096 149 M CB -0.555 32.105 32.600 0.101 0.000 1.300 149 M HN 0.303 nan 8.290 nan 0.000 0.411 150 L N -0.615 120.688 121.223 0.133 0.000 2.046 150 L HA -0.215 4.125 4.340 -0.000 0.000 0.208 150 L C 2.452 179.422 176.870 0.167 0.000 1.077 150 L CA 1.600 56.535 54.840 0.158 0.000 0.747 150 L CB -0.760 41.343 42.059 0.074 0.000 0.896 150 L HN 0.429 nan 8.230 nan 0.000 0.432 151 E N -0.132 120.133 120.200 0.108 0.000 2.106 151 E HA -0.273 4.077 4.350 -0.000 0.000 0.192 151 E C 2.202 178.898 176.600 0.160 0.000 0.984 151 E CA 0.961 57.444 56.400 0.139 0.000 0.806 151 E CB 0.077 29.824 29.700 0.078 0.000 0.750 151 E HN 0.436 nan 8.360 nan 0.000 0.458 152 Q N -0.419 119.427 119.800 0.077 0.000 2.020 152 Q HA -0.228 4.112 4.340 -0.000 0.000 0.202 152 Q C 1.863 177.871 176.000 0.013 0.000 0.982 152 Q CA 1.774 57.570 55.803 -0.011 0.000 0.838 152 Q CB -0.266 28.408 28.738 -0.107 0.000 0.899 152 Q HN 0.447 nan 8.270 nan 0.000 0.423 153 Y N -0.463 119.871 120.300 0.056 0.000 2.114 153 Y HA -0.325 4.225 4.550 -0.000 0.000 0.282 153 Y C 2.157 178.104 175.900 0.078 0.000 1.165 153 Y CA 1.513 59.653 58.100 0.066 0.000 1.148 153 Y CB -0.339 38.165 38.460 0.074 0.000 0.972 153 Y HN 0.296 nan 8.280 nan 0.000 0.504 154 F N 1.261 121.289 119.950 0.130 0.000 2.091 154 F HA -0.302 4.225 4.527 -0.000 0.000 0.299 154 F C 2.008 177.792 175.800 -0.027 0.000 1.103 154 F CA 2.102 60.099 58.000 -0.004 0.000 1.228 154 F CB -0.511 38.450 39.000 -0.065 0.000 0.984 154 F HN 0.052 nan 8.300 nan 0.000 0.477 155 D N -0.119 120.236 120.400 -0.075 0.000 2.149 155 D HA -0.142 4.498 4.640 -0.000 0.000 0.201 155 D C 2.394 178.637 176.300 -0.096 0.000 0.972 155 D CA 1.340 55.240 54.000 -0.166 0.000 0.835 155 D CB -0.354 40.424 40.800 -0.037 0.000 0.966 155 D HN 0.357 nan 8.370 nan 0.000 0.476 156 M N 0.599 120.187 119.600 -0.020 0.000 2.065 156 M HA -0.125 4.354 4.480 -0.000 0.000 0.259 156 M C 2.343 178.792 176.300 0.248 0.000 1.069 156 M CA 1.347 56.718 55.300 0.119 0.000 1.110 156 M CB -0.358 32.298 32.600 0.094 0.000 1.328 156 M HN 0.077 nan 8.290 nan 0.000 0.405 157 I N -2.200 118.447 120.570 0.129 0.000 2.928 157 I HA -0.046 4.124 4.170 -0.000 0.000 0.266 157 I C 1.454 177.565 176.117 -0.009 0.000 1.234 157 I CA 1.319 62.684 61.300 0.110 0.000 1.483 157 I CB -0.656 37.410 38.000 0.110 0.000 1.097 157 I HN 0.252 nan 8.210 nan 0.000 0.455 158 T N -0.990 113.459 114.554 -0.173 0.000 3.134 158 T HA 0.570 4.920 4.350 -0.000 0.000 0.260 158 T C 0.838 175.499 174.700 -0.065 0.000 1.027 158 T CA -0.009 61.971 62.100 -0.200 0.000 0.913 158 T CB -0.250 68.280 68.868 -0.564 0.000 1.046 158 T HN 0.357 nan 8.240 nan 0.000 0.553 159 A N 1.465 124.307 122.820 0.037 0.000 2.565 159 A HA 0.235 4.555 4.320 -0.000 0.000 0.237 159 A C 1.027 178.678 177.584 0.112 0.000 1.053 159 A CA -0.154 51.946 52.037 0.104 0.000 0.755 159 A CB 0.041 19.187 19.000 0.245 0.000 0.980 159 A HN 0.320 nan 8.150 nan 0.000 0.506 160 D N 0.054 120.508 120.400 0.090 0.000 2.348 160 D HA 0.117 4.757 4.640 -0.000 0.000 0.211 160 D C 0.529 176.894 176.300 0.108 0.000 0.998 160 D CA 1.492 55.546 54.000 0.089 0.000 0.873 160 D CB 0.132 40.973 40.800 0.068 0.000 0.925 160 D HN 0.689 nan 8.370 nan 0.000 0.524 161 S N -1.628 114.156 115.700 0.140 0.000 2.611 161 S HA 0.194 4.664 4.470 -0.000 0.000 0.268 161 S C 0.252 174.993 174.600 0.236 0.000 1.156 161 S CA -0.836 57.465 58.200 0.169 0.000 0.817 161 S CB 0.524 63.792 63.200 0.113 0.000 1.122 161 S HN -0.133 nan 8.310 nan 0.000 0.466 162 F N 1.848 121.841 119.950 0.072 0.000 2.134 162 F HA 0.004 4.531 4.527 -0.000 0.000 0.299 162 F C 1.684 177.474 175.800 -0.017 0.000 1.097 162 F CA 2.064 60.032 58.000 -0.054 0.000 1.264 162 F CB -0.655 38.266 39.000 -0.131 0.000 1.001 162 F HN 0.693 nan 8.300 nan 0.000 0.479 163 D N 0.559 120.891 120.400 -0.113 0.000 2.106 163 D HA -0.212 4.428 4.640 -0.000 0.000 0.191 163 D C 1.894 178.092 176.300 -0.170 0.000 0.997 163 D CA 1.805 55.686 54.000 -0.198 0.000 0.834 163 D CB -0.656 40.102 40.800 -0.070 0.000 0.956 163 D HN 0.314 nan 8.370 nan 0.000 0.448 164 D N -0.351 120.013 120.400 -0.060 0.000 2.133 164 D HA -0.189 4.451 4.640 -0.000 0.000 0.195 164 D C 1.972 178.235 176.300 -0.063 0.000 0.997 164 D CA 0.716 54.692 54.000 -0.041 0.000 0.840 164 D CB -0.601 40.209 40.800 0.016 0.000 0.947 164 D HN 0.332 nan 8.370 nan 0.000 0.452 165 Y N 1.878 122.091 120.300 -0.144 0.000 2.070 165 Y HA -0.216 4.334 4.550 -0.000 0.000 0.280 165 Y C 2.190 177.930 175.900 -0.265 0.000 1.148 165 Y CA 1.923 59.933 58.100 -0.150 0.000 1.125 165 Y CB -0.246 38.153 38.460 -0.102 0.000 0.975 165 Y HN -0.051 nan 8.280 nan 0.000 0.492 166 E N 0.090 119.988 120.200 -0.504 0.000 2.118 166 E HA -0.264 4.086 4.350 -0.000 0.000 0.195 166 E C 2.346 178.714 176.600 -0.388 0.000 0.992 166 E CA 0.989 57.057 56.400 -0.553 0.000 0.804 166 E CB -0.381 28.939 29.700 -0.633 0.000 0.741 166 E HN 0.626 nan 8.360 nan 0.000 0.458 167 A N 1.521 124.166 122.820 -0.292 0.000 1.883 167 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 167 A C 2.400 179.861 177.584 -0.205 0.000 1.186 167 A CA 1.881 53.798 52.037 -0.200 0.000 0.624 167 A CB -0.646 18.272 19.000 -0.138 0.000 0.822 167 A HN 0.310 nan 8.150 nan 0.000 0.444 168 A N -0.602 122.074 122.820 -0.240 0.000 1.877 168 A HA -0.029 4.290 4.320 -0.000 0.000 0.216 168 A C 2.152 179.563 177.584 -0.288 0.000 1.186 168 A CA 1.714 53.615 52.037 -0.227 0.000 0.620 168 A CB -0.700 18.174 19.000 -0.210 0.000 0.822 168 A HN 0.708 nan 8.150 nan 0.000 0.443 169 L N -0.021 120.936 121.223 -0.443 0.000 2.042 169 L HA -0.115 4.224 4.340 -0.000 0.000 0.210 169 L C 2.579 179.292 176.870 -0.263 0.000 1.076 169 L CA 2.217 56.805 54.840 -0.420 0.000 0.749 169 L CB -0.622 41.094 42.059 -0.571 0.000 0.893 169 L HN 0.343 nan 8.230 nan 0.000 0.432 170 A N -0.723 121.959 122.820 -0.231 0.000 2.186 170 A HA -0.193 4.127 4.320 -0.000 0.000 0.219 170 A C 2.246 179.761 177.584 -0.116 0.000 1.159 170 A CA 1.318 53.264 52.037 -0.151 0.000 0.680 170 A CB -0.709 18.209 19.000 -0.137 0.000 0.787 170 A HN 0.559 nan 8.150 nan 0.000 0.467 171 R N -1.300 119.125 120.500 -0.125 0.000 2.285 171 R HA -0.022 4.318 4.340 -0.000 0.000 0.213 171 R C 0.091 176.345 176.300 -0.077 0.000 1.068 171 R CA 0.647 56.694 56.100 -0.089 0.000 1.004 171 R CB -0.286 29.962 30.300 -0.085 0.000 0.873 171 R HN 0.432 nan 8.270 nan 0.000 0.467 172 M N 0.560 120.103 119.600 -0.094 0.000 2.302 172 M HA -0.240 4.240 4.480 -0.000 0.000 0.200 172 M C -0.031 176.229 176.300 -0.068 0.000 0.366 172 M CA 0.989 56.241 55.300 -0.079 0.000 0.440 172 M CB -1.889 30.680 32.600 -0.052 0.000 1.475 172 M HN 0.224 nan 8.290 nan 0.000 0.905 173 Q N -0.793 118.959 119.800 -0.080 0.000 2.396 173 Q HA 0.285 4.625 4.340 -0.000 0.000 0.209 173 Q C 0.757 176.727 176.000 -0.050 0.000 0.906 173 Q CA 0.409 56.180 55.803 -0.053 0.000 0.927 173 Q CB 0.894 29.607 28.738 -0.041 0.000 1.069 173 Q HN 0.541 nan 8.270 nan 0.000 0.523 174 V N 5.194 125.052 119.914 -0.094 0.000 2.348 174 V HA 0.112 4.232 4.120 -0.000 0.000 0.270 174 V C -1.553 174.497 176.094 -0.073 0.000 1.037 174 V CA -0.969 61.291 62.300 -0.067 0.000 0.872 174 V CB 1.368 33.072 31.823 -0.198 0.000 1.002 174 V HN 0.071 nan 8.190 nan 0.000 0.464 175 P HA 0.091 nan 4.420 nan 0.000 0.249 175 P C 0.417 177.577 177.300 -0.235 0.000 1.241 175 P CA 0.622 63.645 63.100 -0.128 0.000 0.781 175 P CB 0.663 32.306 31.700 -0.095 0.000 1.088 176 T N -1.276 113.073 114.554 -0.343 0.000 2.693 176 T HA 0.563 4.913 4.350 -0.000 0.000 0.304 176 T C -1.916 172.465 174.700 -0.532 0.000 1.471 176 T CA -0.351 61.405 62.100 -0.573 0.000 0.993 176 T CB 0.306 68.715 68.868 -0.766 0.000 1.554 176 T HN -0.080 nan 8.240 nan 0.000 0.496 177 F N 0.174 120.023 119.950 -0.169 0.000 2.182 177 F HA -0.094 4.433 4.527 -0.000 0.000 0.335 177 F C 0.183 175.850 175.800 -0.221 0.000 1.297 177 F CA -0.980 56.942 58.000 -0.130 0.000 0.981 177 F CB -0.279 38.712 39.000 -0.015 0.000 4.058 177 F HN 0.526 nan 8.300 nan 0.000 0.226 178 N N 3.240 121.974 118.700 0.057 0.000 2.518 178 N HA 0.642 5.382 4.740 -0.000 0.000 0.266 178 N C -0.570 175.011 175.510 0.119 0.000 1.196 178 N CA 0.121 53.202 53.050 0.053 0.000 0.947 178 N CB 1.117 39.768 38.487 0.274 0.000 1.098 178 N HN 0.461 nan 8.380 nan 0.000 0.450 179 I N 1.415 122.025 120.570 0.066 0.000 2.534 179 I HA 0.265 4.434 4.170 -0.000 0.000 0.288 179 I C -0.611 175.625 176.117 0.198 0.000 1.077 179 I CA -0.822 60.557 61.300 0.131 0.000 1.051 179 I CB 2.097 40.178 38.000 0.135 0.000 1.234 179 I HN -0.029 nan 8.210 nan 0.000 0.425 180 V N 6.175 126.235 119.914 0.244 0.000 2.628 180 V HA 0.455 4.575 4.120 -0.000 0.000 0.306 180 V C -1.178 175.068 176.094 0.253 0.000 1.045 180 V CA -0.723 61.754 62.300 0.294 0.000 0.905 180 V CB 2.196 34.213 31.823 0.323 0.000 0.997 180 V HN 0.600 nan 8.190 nan 0.000 0.436 181 Y N 3.227 123.557 120.300 0.050 0.000 2.512 181 Y HA 0.848 5.398 4.550 -0.000 0.000 0.348 181 Y C -0.311 175.509 175.900 -0.134 0.000 0.990 181 Y CA -0.403 57.622 58.100 -0.125 0.000 1.033 181 Y CB 1.962 40.201 38.460 -0.368 0.000 1.259 181 Y HN 0.819 nan 8.280 nan 0.000 0.461 182 A N 3.694 126.076 122.820 -0.729 0.000 2.606 182 A HA 0.704 5.024 4.320 -0.000 0.000 0.293 182 A C -2.008 174.818 177.584 -1.263 0.000 1.082 182 A CA -0.341 51.297 52.037 -0.664 0.000 0.685 182 A CB 1.682 20.533 19.000 -0.248 0.000 1.284 182 A HN 0.841 nan 8.150 nan 0.000 0.408 183 D N -1.366 118.476 120.400 -0.930 0.000 2.615 183 D HA 0.315 4.955 4.640 -0.000 0.000 0.267 183 D C 0.562 176.534 176.300 -0.547 0.000 1.236 183 D CA -0.471 52.948 54.000 -0.969 0.000 0.839 183 D CB 0.615 41.118 40.800 -0.494 0.000 1.380 183 D HN 0.550 nan 8.370 nan 0.000 0.433 184 R N -0.224 120.077 120.500 -0.332 0.000 2.237 184 R HA -0.008 4.332 4.340 -0.000 0.000 0.219 184 R C 0.302 176.585 176.300 -0.028 0.000 1.080 184 R CA 1.108 57.187 56.100 -0.034 0.000 0.995 184 R CB -0.329 30.020 30.300 0.082 0.000 0.875 184 R HN 0.341 nan 8.270 nan 0.000 0.462 185 E N 0.285 120.452 120.200 -0.054 0.000 2.299 185 E HA 0.095 4.445 4.350 -0.000 0.000 0.193 185 E C 1.022 177.601 176.600 -0.034 0.000 0.998 185 E CA 1.037 57.426 56.400 -0.019 0.000 0.851 185 E CB 0.523 30.229 29.700 0.010 0.000 0.795 185 E HN 0.631 nan 8.360 nan 0.000 0.492 186 G N -0.061 108.696 108.800 -0.072 0.000 2.183 186 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.168 186 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.168 186 G C 0.299 175.143 174.900 -0.094 0.000 1.008 186 G CA -0.048 45.010 45.100 -0.069 0.000 0.677 186 G HN 0.185 nan 8.290 nan 0.000 0.498 187 T N 1.643 116.121 114.554 -0.127 0.000 2.889 187 T HA 0.627 4.977 4.350 -0.000 0.000 0.291 187 T C 0.506 175.104 174.700 -0.169 0.000 0.995 187 T CA 0.452 62.426 62.100 -0.211 0.000 1.092 187 T CB 1.313 69.935 68.868 -0.410 0.000 0.954 187 T HN 0.965 nan 8.240 nan 0.000 0.506 188 I N 0.966 121.440 120.570 -0.160 0.000 2.608 188 I HA 0.703 4.873 4.170 -0.000 0.000 0.295 188 I C -0.829 175.259 176.117 -0.048 0.000 1.049 188 I CA -0.871 60.405 61.300 -0.040 0.000 1.063 188 I CB 2.267 40.276 38.000 0.015 0.000 1.248 188 I HN 0.446 nan 8.210 nan 0.000 0.424 189 N N 3.777 122.531 118.700 0.090 0.000 2.242 189 N HA 0.387 5.127 4.740 -0.000 0.000 0.292 189 N C -2.267 173.419 175.510 0.293 0.000 1.125 189 N CA -0.347 52.799 53.050 0.160 0.000 0.783 189 N CB 3.051 41.653 38.487 0.192 0.000 1.558 189 N HN 0.787 nan 8.380 nan 0.000 0.472 190 Y N 1.335 121.746 120.300 0.185 0.000 2.391 190 Y HA 0.540 5.090 4.550 -0.000 0.000 0.341 190 Y C -1.450 174.576 175.900 0.210 0.000 0.965 190 Y CA -0.354 57.864 58.100 0.197 0.000 1.067 190 Y CB 1.470 40.034 38.460 0.174 0.000 1.199 190 Y HN 0.343 nan 8.280 nan 0.000 0.450 191 S N 6.674 122.025 115.700 -0.583 0.000 2.532 191 S HA 0.354 4.824 4.470 -0.000 0.000 0.299 191 S C -1.422 172.755 174.600 -0.705 0.000 1.105 191 S CA -0.623 57.261 58.200 -0.526 0.000 1.018 191 S CB 0.899 64.014 63.200 -0.141 0.000 1.021 191 S HN 0.644 nan 8.310 nan 0.000 0.483 192 F N 4.208 123.756 119.950 -0.670 0.000 2.462 192 F HA 0.378 4.905 4.527 -0.000 0.000 0.354 192 F C 0.235 175.897 175.800 -0.229 0.000 1.192 192 F CA -0.422 57.354 58.000 -0.374 0.000 1.173 192 F CB -0.241 38.584 39.000 -0.292 0.000 1.402 192 F HN 0.591 nan 8.300 nan 0.000 0.595 193 N N 3.412 121.889 118.700 -0.371 0.000 2.466 193 N HA 0.820 5.560 4.740 -0.000 0.000 0.294 193 N C -0.272 175.061 175.510 -0.295 0.000 1.129 193 N CA 0.221 53.128 53.050 -0.238 0.000 0.931 193 N CB 1.617 40.013 38.487 -0.152 0.000 1.193 193 N HN 0.797 nan 8.380 nan 0.000 0.500 194 G N -0.350 108.337 108.800 -0.189 0.000 2.341 194 G HA2 0.185 4.145 3.960 -0.000 0.000 0.293 194 G HA3 0.185 4.145 3.960 -0.000 0.000 0.293 194 G C -1.958 172.875 174.900 -0.112 0.000 1.298 194 G CA -0.684 44.306 45.100 -0.184 0.000 0.868 194 G HN 0.486 nan 8.290 nan 0.000 0.540 195 V N 1.185 121.033 119.914 -0.110 0.000 2.293 195 V HA 0.670 4.790 4.120 -0.000 0.000 0.275 195 V C 0.541 176.566 176.094 -0.114 0.000 1.021 195 V CA 0.089 62.340 62.300 -0.083 0.000 0.815 195 V CB 0.712 32.494 31.823 -0.068 0.000 1.025 195 V HN 1.531 nan 8.190 nan 0.000 0.448 196 A N 7.762 130.537 122.820 -0.075 0.000 2.271 196 A HA 0.848 5.168 4.320 -0.000 0.000 0.317 196 A C -2.727 174.756 177.584 -0.167 0.000 1.245 196 A CA -1.871 50.100 52.037 -0.109 0.000 0.857 196 A CB 0.903 19.914 19.000 0.018 0.000 1.175 196 A HN 0.569 nan 8.150 nan 0.000 0.512 197 P HA 0.031 nan 4.420 nan 0.000 0.265 197 P C -0.533 176.473 177.300 -0.491 0.000 1.193 197 P CA 0.300 62.911 63.100 -0.816 0.000 0.765 197 P CB 0.398 30.909 31.700 -1.982 0.000 0.823 198 K N 4.409 124.620 120.400 -0.315 0.000 2.349 198 K HA 0.251 4.571 4.320 -0.000 0.000 0.288 198 K C 0.229 176.716 176.600 -0.188 0.000 1.058 198 K CA 0.001 56.163 56.287 -0.209 0.000 0.953 198 K CB 0.565 32.891 32.500 -0.290 0.000 0.997 198 K HN 0.388 nan 8.250 nan 0.000 0.477 199 R N 0.757 121.136 120.500 -0.200 0.000 2.807 199 R HA 0.345 4.685 4.340 -0.000 0.000 0.276 199 R C 0.361 176.816 176.300 0.258 0.000 0.979 199 R CA -0.420 55.612 56.100 -0.114 0.000 0.928 199 R CB 1.470 31.382 30.300 -0.646 0.000 1.191 199 R HN 0.652 nan 8.270 nan 0.000 0.471 200 A N 1.143 124.143 122.820 0.301 0.000 1.956 200 A HA 0.052 4.372 4.320 -0.000 0.000 0.212 200 A C 0.061 177.826 177.584 0.303 0.000 1.188 200 A CA 0.802 52.997 52.037 0.264 0.000 0.675 200 A CB -0.151 18.958 19.000 0.183 0.000 0.845 200 A HN 0.744 nan 8.150 nan 0.000 0.455 201 E N -2.528 117.908 120.200 0.393 0.000 2.416 201 E HA 0.565 4.915 4.350 -0.000 0.000 0.273 201 E C -0.202 176.706 176.600 0.514 0.000 0.935 201 E CA -0.917 55.684 56.400 0.334 0.000 0.784 201 E CB 1.535 31.335 29.700 0.166 0.000 1.301 201 E HN 1.119 nan 8.360 nan 0.000 0.454 202 G N 1.783 110.766 108.800 0.303 0.000 2.911 202 G HA2 0.038 3.998 3.960 -0.000 0.000 0.686 202 G HA3 0.038 3.998 3.960 -0.000 0.000 0.686 202 G C -0.984 174.260 174.900 0.574 0.000 1.136 202 G CA -0.356 44.889 45.100 0.241 0.000 0.764 202 G HN 0.866 nan 8.290 nan 0.000 0.626 203 D N 0.982 121.623 120.400 0.402 0.000 2.451 203 D HA 0.477 5.117 4.640 -0.000 0.000 0.259 203 D C 1.883 178.511 176.300 0.547 0.000 1.201 203 D CA -0.513 53.737 54.000 0.416 0.000 1.028 203 D CB 0.690 41.639 40.800 0.248 0.000 1.095 203 D HN 0.644 nan 8.370 nan 0.000 0.539 204 I N -0.186 120.642 120.570 0.431 0.000 2.208 204 I HA -0.288 3.882 4.170 -0.000 0.000 0.245 204 I C 2.099 178.412 176.117 0.327 0.000 1.097 204 I CA 1.961 63.504 61.300 0.405 0.000 1.363 204 I CB -0.253 37.925 38.000 0.298 0.000 1.051 204 I HN 0.507 nan 8.210 nan 0.000 0.413 205 A N 0.384 123.355 122.820 0.251 0.000 1.908 205 A HA -0.291 4.029 4.320 -0.000 0.000 0.218 205 A C 2.218 179.881 177.584 0.131 0.000 1.181 205 A CA 1.879 54.015 52.037 0.166 0.000 0.627 205 A CB -1.260 17.822 19.000 0.136 0.000 0.818 205 A HN 0.626 nan 8.150 nan 0.000 0.445 206 F N -0.920 119.042 119.950 0.019 0.000 2.126 206 F HA -0.190 4.337 4.527 -0.000 0.000 0.299 206 F C 1.811 177.454 175.800 -0.263 0.000 1.096 206 F CA 1.722 59.618 58.000 -0.173 0.000 1.255 206 F CB -0.395 38.434 39.000 -0.284 0.000 0.997 206 F HN 0.388 nan 8.300 nan 0.000 0.479 207 W N 0.430 121.756 121.300 0.044 0.000 2.800 207 W HA 0.033 4.693 4.660 -0.000 0.000 0.249 207 W C 2.139 178.581 176.519 -0.128 0.000 1.294 207 W CA 0.451 57.753 57.345 -0.072 0.000 1.402 207 W CB -0.297 29.206 29.460 0.073 0.000 1.126 207 W HN 0.078 nan 8.180 nan 0.000 0.652 208 Q N -0.338 119.503 119.800 0.069 0.000 2.398 208 Q HA 0.120 4.460 4.340 -0.000 0.000 0.204 208 Q C 1.533 177.481 176.000 -0.087 0.000 0.932 208 Q CA 0.375 56.186 55.803 0.013 0.000 0.916 208 Q CB 0.076 28.843 28.738 0.050 0.000 1.024 208 Q HN 0.157 nan 8.270 nan 0.000 0.504 209 G N 0.584 109.268 108.800 -0.194 0.000 2.525 209 G HA2 0.094 4.054 3.960 -0.000 0.000 0.287 209 G HA3 0.094 4.054 3.960 -0.000 0.000 0.287 209 G C -0.216 174.497 174.900 -0.310 0.000 1.350 209 G CA -0.652 44.307 45.100 -0.234 0.000 1.039 209 G HN 0.057 nan 8.290 nan 0.000 0.513 210 N N 0.386 118.922 118.700 -0.274 0.000 2.406 210 N HA 0.132 4.872 4.740 -0.000 0.000 0.269 210 N C 0.302 175.555 175.510 -0.428 0.000 1.210 210 N CA -0.038 52.844 53.050 -0.281 0.000 0.966 210 N CB 0.922 39.310 38.487 -0.166 0.000 1.293 210 N HN 0.126 nan 8.380 nan 0.000 0.491 211 V N 4.540 124.098 119.914 -0.595 0.000 2.740 211 V HA 0.098 4.218 4.120 -0.000 0.000 0.303 211 V C -1.800 174.098 176.094 -0.327 0.000 1.054 211 V CA -1.170 60.675 62.300 -0.758 0.000 1.106 211 V CB 0.572 31.883 31.823 -0.854 0.000 0.957 211 V HN 0.460 nan 8.190 nan 0.000 0.486 212 P HA 0.164 nan 4.420 nan 0.000 0.268 212 P C 0.500 177.955 177.300 0.257 0.000 1.204 212 P CA 0.161 63.256 63.100 -0.008 0.000 0.768 212 P CB 0.570 32.285 31.700 0.025 0.000 0.842 213 G N 1.713 110.652 108.800 0.231 0.000 3.702 213 G HA2 0.087 4.047 3.960 -0.000 0.000 0.288 213 G HA3 0.087 4.047 3.960 -0.000 0.000 0.288 213 G C -0.005 175.179 174.900 0.473 0.000 1.193 213 G CA -0.230 45.003 45.100 0.222 0.000 0.952 213 G HN 0.514 nan 8.290 nan 0.000 0.544 214 D N -1.199 119.449 120.400 0.414 0.000 2.535 214 D HA 0.195 4.835 4.640 -0.000 0.000 0.229 214 D C 0.267 176.582 176.300 0.026 0.000 1.238 214 D CA -0.459 53.737 54.000 0.327 0.000 0.824 214 D CB 0.492 41.420 40.800 0.213 0.000 1.045 214 D HN 0.026 nan 8.370 nan 0.000 0.500 215 S N -0.540 115.139 115.700 -0.034 0.000 2.562 215 S HA 0.333 4.802 4.470 -0.000 0.000 0.274 215 S C 0.665 175.109 174.600 -0.260 0.000 1.160 215 S CA -0.088 57.928 58.200 -0.308 0.000 0.933 215 S CB 1.256 64.430 63.200 -0.044 0.000 1.100 215 S HN 0.053 nan 8.310 nan 0.000 0.468 216 S N 4.052 119.479 115.700 -0.454 0.000 2.469 216 S HA -0.105 4.364 4.470 -0.000 0.000 0.238 216 S C 1.753 176.336 174.600 -0.029 0.000 0.998 216 S CA 0.761 58.904 58.200 -0.096 0.000 0.957 216 S CB -0.444 62.711 63.200 -0.074 0.000 0.764 216 S HN 0.778 nan 8.310 nan 0.000 0.514 217 R N 0.551 120.961 120.500 -0.150 0.000 2.139 217 R HA -0.160 4.180 4.340 -0.000 0.000 0.243 217 R C 1.068 177.266 176.300 -0.171 0.000 1.145 217 R CA 1.795 57.736 56.100 -0.264 0.000 0.976 217 R CB -0.296 29.673 30.300 -0.552 0.000 0.866 217 R HN 0.653 nan 8.270 nan 0.000 0.449 218 Y N -1.067 119.432 120.300 0.331 0.000 2.458 218 Y HA 0.139 4.689 4.550 -0.000 0.000 0.256 218 Y C 0.182 176.448 175.900 0.610 0.000 1.159 218 Y CA -0.755 57.701 58.100 0.594 0.000 1.261 218 Y CB 0.604 39.437 38.460 0.621 0.000 1.119 218 Y HN -0.009 nan 8.280 nan 0.000 0.524 219 L N 3.721 125.182 121.223 0.396 0.000 2.387 219 L HA 0.127 4.467 4.340 -0.000 0.000 0.267 219 L C 0.339 177.247 176.870 0.062 0.000 1.197 219 L CA -1.088 53.819 54.840 0.112 0.000 1.070 219 L CB -0.800 41.238 42.059 -0.035 0.000 1.349 219 L HN 0.146 nan 8.230 nan 0.000 0.422 220 W N 2.620 124.072 121.300 0.253 0.000 2.123 220 W HA 0.314 4.974 4.660 -0.000 0.000 0.351 220 W C 0.276 176.835 176.519 0.067 0.000 1.292 220 W CA 0.097 57.505 57.345 0.107 0.000 1.263 220 W CB -0.276 29.181 29.460 -0.006 0.000 1.165 220 W HN 0.597 nan 8.180 nan 0.000 0.590 221 T N -3.287 111.502 114.554 0.392 0.000 3.092 221 T HA 0.202 4.552 4.350 -0.000 0.000 0.273 221 T C -0.047 174.800 174.700 0.244 0.000 0.898 221 T CA -0.225 62.025 62.100 0.251 0.000 0.868 221 T CB 0.364 69.295 68.868 0.104 0.000 1.228 221 T HN 0.507 nan 8.240 nan 0.000 0.555 222 E N 1.685 122.009 120.200 0.207 0.000 2.281 222 E HA 0.622 4.972 4.350 -0.000 0.000 0.262 222 E C -0.803 175.792 176.600 -0.009 0.000 0.933 222 E CA -0.868 55.576 56.400 0.073 0.000 0.809 222 E CB 2.221 31.923 29.700 0.004 0.000 1.242 222 E HN 0.441 nan 8.360 nan 0.000 0.418 223 T N -2.047 112.471 114.554 -0.060 0.000 2.906 223 T HA 0.339 4.689 4.350 -0.000 0.000 0.295 223 T C -0.462 174.177 174.700 -0.102 0.000 1.075 223 T CA -0.894 61.145 62.100 -0.100 0.000 1.005 223 T CB 1.136 69.968 68.868 -0.060 0.000 1.136 223 T HN 0.337 nan 8.240 nan 0.000 0.498 224 H N 2.078 121.127 119.070 -0.035 0.000 2.652 224 H HA 0.352 4.908 4.556 -0.000 0.000 0.349 224 H C -1.956 173.367 175.328 -0.007 0.000 1.099 224 H CA -0.926 55.124 56.048 0.003 0.000 1.417 224 H CB 1.245 31.029 29.762 0.037 0.000 1.457 224 H HN 0.528 nan 8.280 nan 0.000 0.568 225 P HA -0.046 nan 4.420 nan 0.000 0.277 225 P C 1.079 178.414 177.300 0.059 0.000 1.271 225 P CA -0.565 62.565 63.100 0.050 0.000 0.795 225 P CB 1.316 33.032 31.700 0.028 0.000 1.101 226 L N 1.503 122.732 121.223 0.011 0.000 2.043 226 L HA -0.219 4.121 4.340 -0.000 0.000 0.212 226 L C 1.260 178.148 176.870 0.030 0.000 1.075 226 L CA 2.439 57.277 54.840 -0.003 0.000 0.752 226 L CB -1.628 40.401 42.059 -0.050 0.000 0.891 226 L HN 0.351 nan 8.230 nan 0.000 0.432 227 D N -2.536 117.887 120.400 0.038 0.000 2.349 227 D HA -0.074 4.566 4.640 -0.000 0.000 0.224 227 D C 1.149 177.506 176.300 0.095 0.000 1.029 227 D CA 0.385 54.419 54.000 0.058 0.000 0.879 227 D CB -0.442 40.380 40.800 0.036 0.000 0.906 227 D HN 0.330 nan 8.370 nan 0.000 0.528 228 D N -0.034 120.439 120.400 0.122 0.000 2.347 228 D HA 0.097 4.737 4.640 -0.000 0.000 0.213 228 D C 0.433 176.843 176.300 0.183 0.000 0.985 228 D CA 0.186 54.285 54.000 0.165 0.000 0.879 228 D CB 0.322 41.289 40.800 0.278 0.000 0.919 228 D HN 0.292 nan 8.370 nan 0.000 0.526 229 L N 1.227 122.522 121.223 0.120 0.000 2.334 229 L HA 0.344 4.684 4.340 -0.000 0.000 0.277 229 L C -2.165 174.678 176.870 -0.045 0.000 1.075 229 L CA -2.133 52.724 54.840 0.029 0.000 0.804 229 L CB 0.879 42.964 42.059 0.043 0.000 1.174 229 L HN -0.333 nan 8.230 nan 0.000 0.438 230 P HA 0.089 nan 4.420 nan 0.000 0.261 230 P C -0.971 176.279 177.300 -0.084 0.000 1.183 230 P CA 0.469 63.159 63.100 -0.685 0.000 0.761 230 P CB 0.383 31.433 31.700 -1.085 0.000 0.785 231 R N 1.610 122.204 120.500 0.157 0.000 2.707 231 R HA 0.706 5.046 4.340 -0.000 0.000 0.272 231 R C -1.556 174.995 176.300 0.419 0.000 1.011 231 R CA -1.039 55.199 56.100 0.229 0.000 0.893 231 R CB 2.259 32.644 30.300 0.142 0.000 1.233 231 R HN 0.119 nan 8.270 nan 0.000 0.464 232 V N 1.182 121.331 119.914 0.391 0.000 2.668 232 V HA 0.443 4.563 4.120 -0.000 0.000 0.304 232 V C -0.810 175.420 176.094 0.225 0.000 1.071 232 V CA -0.690 61.804 62.300 0.324 0.000 0.894 232 V CB 2.257 34.259 31.823 0.299 0.000 1.008 232 V HN 0.796 nan 8.190 nan 0.000 0.425 233 T N 3.871 118.521 114.554 0.159 0.000 2.841 233 T HA 0.399 4.749 4.350 -0.000 0.000 0.285 233 T C -0.003 174.717 174.700 0.033 0.000 0.991 233 T CA -0.571 61.583 62.100 0.089 0.000 0.966 233 T CB 1.002 69.952 68.868 0.136 0.000 0.962 233 T HN 0.732 nan 8.240 nan 0.000 0.438 234 N N 2.206 120.896 118.700 -0.018 0.000 2.689 234 N HA -0.116 4.624 4.740 -0.000 0.000 0.263 234 N C -2.342 173.157 175.510 -0.018 0.000 0.987 234 N CA 0.325 53.358 53.050 -0.027 0.000 0.782 234 N CB -1.046 37.419 38.487 -0.038 0.000 0.903 234 N HN 0.488 nan 8.380 nan 0.000 0.547 235 P HA 0.143 nan 4.420 nan 0.000 0.272 235 P C -1.379 175.887 177.300 -0.058 0.000 1.230 235 P CA -1.033 62.035 63.100 -0.054 0.000 0.788 235 P CB 0.535 32.170 31.700 -0.109 0.000 0.949 236 P HA -0.147 nan 4.420 nan 0.000 0.219 236 P C 1.623 178.902 177.300 -0.035 0.000 1.146 236 P CA 1.644 64.717 63.100 -0.045 0.000 0.808 236 P CB -0.624 31.043 31.700 -0.055 0.000 0.779 237 G N -0.144 108.619 108.800 -0.062 0.000 2.479 237 G HA2 -0.047 3.912 3.960 -0.000 0.000 0.220 237 G HA3 -0.047 3.912 3.960 -0.000 0.000 0.220 237 G C 1.300 176.258 174.900 0.096 0.000 1.115 237 G CA 0.887 45.988 45.100 0.003 0.000 0.757 237 G HN 0.508 nan 8.290 nan 0.000 0.560 238 G N -1.420 107.392 108.800 0.020 0.000 2.143 238 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.248 238 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.248 238 G C 0.165 175.166 174.900 0.169 0.000 0.991 238 G CA 0.611 45.754 45.100 0.073 0.000 0.689 238 G HN 1.627 nan 8.290 nan 0.000 0.522 239 F N -1.925 118.025 119.950 0.000 0.000 2.693 239 F HA 0.774 5.301 4.527 -0.000 0.000 0.309 239 F C -0.566 175.264 175.800 0.051 0.000 1.129 239 F CA -1.142 56.862 58.000 0.007 0.000 0.948 239 F CB 1.140 40.113 39.000 -0.046 0.000 1.315 239 F HN 0.756 nan 8.300 nan 0.000 0.447 240 V N 0.645 120.639 119.914 0.134 0.000 3.040 240 V HA 0.976 5.096 4.120 -0.000 0.000 0.312 240 V C -1.399 174.932 176.094 0.395 0.000 1.115 240 V CA -0.668 61.676 62.300 0.074 0.000 0.998 240 V CB 1.486 33.385 31.823 0.127 0.000 1.042 240 V HN 1.386 nan 8.190 nan 0.000 0.433 241 Q N 1.360 121.337 119.800 0.295 0.000 2.482 241 Q HA 0.625 4.965 4.340 -0.000 0.000 0.286 241 Q C -1.538 174.554 176.000 0.152 0.000 1.007 241 Q CA -0.597 55.463 55.803 0.428 0.000 0.801 241 Q CB 1.909 31.043 28.738 0.659 0.000 1.455 241 Q HN 0.948 nan 8.270 nan 0.000 0.398 242 N N 0.206 119.026 118.700 0.201 0.000 2.371 242 N HA 0.375 5.115 4.740 -0.000 0.000 0.280 242 N C -1.413 174.166 175.510 0.114 0.000 1.084 242 N CA -0.379 52.736 53.050 0.108 0.000 0.892 242 N CB 2.128 40.688 38.487 0.123 0.000 1.653 242 N HN 0.609 nan 8.380 nan 0.000 0.480 243 S N 2.229 117.979 115.700 0.084 0.000 2.740 243 S HA 0.257 4.727 4.470 -0.000 0.000 0.244 243 S C 0.136 174.753 174.600 0.027 0.000 1.101 243 S CA -0.409 57.815 58.200 0.040 0.000 1.123 243 S CB -0.515 62.745 63.200 0.100 0.000 1.012 243 S HN 0.833 nan 8.310 nan 0.000 0.491 244 N N 1.503 120.222 118.700 0.032 0.000 2.965 244 N HA -0.152 4.588 4.740 -0.000 0.000 0.232 244 N C -0.733 174.769 175.510 -0.013 0.000 0.913 244 N CA 1.189 54.259 53.050 0.033 0.000 0.981 244 N CB -1.049 37.467 38.487 0.047 0.000 1.077 244 N HN 0.594 nan 8.380 nan 0.000 0.589 245 D N 0.739 121.093 120.400 -0.078 0.000 2.399 245 D HA 0.205 4.845 4.640 -0.000 0.000 0.241 245 D C -2.285 173.860 176.300 -0.258 0.000 1.133 245 D CA -1.140 52.706 54.000 -0.255 0.000 0.890 245 D CB -0.087 40.424 40.800 -0.482 0.000 1.201 245 D HN -0.021 nan 8.370 nan 0.000 0.432 246 P HA 0.007 nan 4.420 nan 0.000 0.266 246 P C -1.915 175.047 177.300 -0.563 0.000 1.180 246 P CA -0.596 62.294 63.100 -0.351 0.000 0.765 246 P CB -0.228 31.403 31.700 -0.115 0.000 0.806 247 P HA 0.015 nan 4.420 nan 0.000 0.258 247 P C -0.044 177.065 177.300 -0.318 0.000 1.559 247 P CA 0.481 63.262 63.100 -0.530 0.000 0.855 247 P CB -0.535 30.865 31.700 -0.500 0.000 1.594 248 W N 0.103 121.544 121.300 0.235 0.000 3.077 248 W HA 0.096 4.756 4.660 -0.000 0.000 0.266 248 W C 0.715 177.400 176.519 0.276 0.000 1.300 248 W CA 0.182 57.717 57.345 0.316 0.000 1.586 248 W CB -0.070 29.623 29.460 0.388 0.000 1.103 248 W HN 0.028 nan 8.180 nan 0.000 0.652 249 T N -2.860 111.962 114.554 0.447 0.000 3.532 249 T HA 0.210 4.560 4.350 -0.000 0.000 0.241 249 T C -1.809 172.980 174.700 0.148 0.000 1.238 249 T CA -1.577 60.735 62.100 0.352 0.000 1.405 249 T CB 0.652 69.799 68.868 0.465 0.000 0.971 249 T HN -0.215 nan 8.240 nan 0.000 0.640 250 P HA 0.152 nan 4.420 nan 0.000 0.236 250 P C 0.495 177.683 177.300 -0.187 0.000 1.177 250 P CA 0.680 63.638 63.100 -0.236 0.000 0.773 250 P CB 0.403 31.795 31.700 -0.514 0.000 0.878 251 T N -2.177 112.279 114.554 -0.164 0.000 2.711 251 T HA 0.466 4.816 4.350 -0.000 0.000 0.302 251 T C -2.669 172.036 174.700 0.007 0.000 1.373 251 T CA -0.671 61.165 62.100 -0.440 0.000 1.000 251 T CB 1.117 69.663 68.868 -0.537 0.000 1.483 251 T HN -0.032 nan 8.240 nan 0.000 0.499 252 W N 4.145 125.260 121.300 -0.308 0.000 3.089 252 W HA 0.397 5.057 4.660 -0.000 0.000 0.333 252 W C -2.804 173.707 176.519 -0.013 0.000 1.053 252 W CA -1.751 55.583 57.345 -0.018 0.000 1.257 252 W CB 1.724 31.302 29.460 0.198 0.000 1.281 252 W HN 0.591 nan 8.180 nan 0.000 0.427 253 P HA 0.073 nan 4.420 nan 0.000 0.272 253 P C 0.205 177.302 177.300 -0.337 0.000 1.223 253 P CA 0.138 62.840 63.100 -0.663 0.000 0.784 253 P CB 1.259 32.651 31.700 -0.515 0.000 0.923 254 V N -0.436 119.288 119.914 -0.315 0.000 3.376 254 V HA 0.247 4.367 4.120 -0.000 0.000 0.303 254 V C 1.173 177.152 176.094 -0.190 0.000 1.100 254 V CA 0.892 63.085 62.300 -0.178 0.000 1.126 254 V CB -0.289 31.484 31.823 -0.084 0.000 1.085 254 V HN 0.802 nan 8.190 nan 0.000 0.480 255 T N -1.684 112.735 114.554 -0.224 0.000 3.043 255 T HA 0.427 4.777 4.350 -0.000 0.000 0.272 255 T C -0.057 174.693 174.700 0.085 0.000 0.990 255 T CA 0.515 62.568 62.100 -0.077 0.000 0.897 255 T CB -0.432 68.429 68.868 -0.011 0.000 1.111 255 T HN 1.421 nan 8.240 nan 0.000 0.529 256 Y N -0.667 119.733 120.300 0.166 0.000 2.779 256 Y HA 0.708 5.258 4.550 -0.000 0.000 0.340 256 Y C -0.902 175.142 175.900 0.239 0.000 1.252 256 Y CA -1.331 56.897 58.100 0.213 0.000 1.072 256 Y CB 0.611 39.297 38.460 0.377 0.000 1.343 256 Y HN 0.167 nan 8.280 nan 0.000 0.450 257 T N -3.254 111.623 114.554 0.540 0.000 2.887 257 T HA 0.510 4.860 4.350 -0.000 0.000 0.292 257 T C -2.692 172.069 174.700 0.103 0.000 1.087 257 T CA -2.376 59.894 62.100 0.283 0.000 1.009 257 T CB 2.228 71.140 68.868 0.072 0.000 1.203 257 T HN 0.350 nan 8.240 nan 0.000 0.518 258 P HA -0.088 nan 4.420 nan 0.000 0.216 258 P C 1.154 178.278 177.300 -0.294 0.000 1.150 258 P CA 1.293 63.822 63.100 -0.953 0.000 0.843 258 P CB -0.025 31.036 31.700 -1.065 0.000 0.787 259 K N -0.651 119.644 120.400 -0.176 0.000 2.211 259 K HA -0.146 4.174 4.320 -0.000 0.000 0.204 259 K C 1.305 177.836 176.600 -0.116 0.000 1.047 259 K CA 1.266 57.486 56.287 -0.111 0.000 0.935 259 K CB -0.548 31.901 32.500 -0.085 0.000 0.728 259 K HN 0.194 nan 8.250 nan 0.000 0.452 260 D N -0.414 119.908 120.400 -0.131 0.000 2.392 260 D HA -0.027 4.612 4.640 -0.000 0.000 0.228 260 D C -0.220 175.618 176.300 -0.771 0.000 1.003 260 D CA 0.954 54.710 54.000 -0.407 0.000 0.917 260 D CB 0.078 40.593 40.800 -0.475 0.000 0.890 260 D HN 0.044 nan 8.370 nan 0.000 0.532 261 F N -0.770 119.115 119.950 -0.109 0.000 2.626 261 F HA 0.345 4.872 4.527 -0.000 0.000 0.311 261 F C -2.114 173.579 175.800 -0.179 0.000 1.088 261 F CA -2.567 55.355 58.000 -0.130 0.000 0.949 261 F CB 1.087 40.038 39.000 -0.082 0.000 1.322 261 F HN -0.396 nan 8.300 nan 0.000 0.461 262 P HA 0.073 nan 4.420 nan 0.000 0.266 262 P C 0.369 177.447 177.300 -0.371 0.000 1.195 262 P CA -0.002 62.873 63.100 -0.376 0.000 0.768 262 P CB 0.720 31.927 31.700 -0.821 0.000 0.838 263 S N 1.111 116.661 115.700 -0.249 0.000 2.607 263 S HA -0.108 4.362 4.470 -0.000 0.000 0.224 263 S C 1.069 175.725 174.600 0.094 0.000 0.969 263 S CA 0.181 58.364 58.200 -0.029 0.000 0.927 263 S CB -1.055 62.173 63.200 0.047 0.000 0.772 263 S HN 0.543 nan 8.310 nan 0.000 0.533 264 Y N -0.507 119.899 120.300 0.177 0.000 2.457 264 Y HA 0.524 5.074 4.550 -0.000 0.000 0.263 264 Y C 1.410 177.374 175.900 0.106 0.000 1.164 264 Y CA -1.261 56.954 58.100 0.193 0.000 1.274 264 Y CB -0.588 37.985 38.460 0.187 0.000 1.097 264 Y HN 0.140 nan 8.280 nan 0.000 0.523 265 L N 0.605 121.920 121.223 0.154 0.000 2.044 265 L HA 0.214 4.554 4.340 -0.000 0.000 0.205 265 L C 1.028 177.967 176.870 0.116 0.000 1.075 265 L CA 1.029 55.939 54.840 0.116 0.000 0.747 265 L CB -0.340 41.652 42.059 -0.112 0.000 0.903 265 L HN 0.375 nan 8.230 nan 0.000 0.435 266 A N -1.248 121.620 122.820 0.080 0.000 2.539 266 A HA 0.681 5.001 4.320 -0.000 0.000 0.296 266 A C -2.578 175.161 177.584 0.260 0.000 1.073 266 A CA -1.196 50.883 52.037 0.070 0.000 0.700 266 A CB 1.205 19.955 19.000 -0.417 0.000 1.296 266 A HN -0.139 nan 8.150 nan 0.000 0.405 267 P HA 0.380 nan 4.420 nan 0.000 0.274 267 P C -0.754 176.809 177.300 0.439 0.000 1.256 267 P CA -0.128 63.136 63.100 0.273 0.000 0.795 267 P CB 0.451 32.261 31.700 0.184 0.000 1.038 268 Q N -0.462 119.551 119.800 0.355 0.000 2.462 268 Q HA 0.201 4.541 4.340 -0.000 0.000 0.395 268 Q C -0.427 175.742 176.000 0.281 0.000 0.911 268 Q CA -0.243 55.792 55.803 0.387 0.000 1.112 268 Q CB 0.156 29.029 28.738 0.224 0.000 1.350 268 Q HN 0.502 nan 8.270 nan 0.000 0.407 269 T N -2.562 112.115 114.554 0.204 0.000 2.934 269 T HA 0.498 4.848 4.350 -0.000 0.000 0.283 269 T C -2.492 172.094 174.700 -0.190 0.000 1.005 269 T CA -2.289 59.848 62.100 0.060 0.000 1.041 269 T CB 1.167 70.063 68.868 0.046 0.000 1.042 269 T HN -0.076 nan 8.240 nan 0.000 0.505 270 P HA 0.074 nan 4.420 nan 0.000 0.264 270 P C -0.100 176.698 177.300 -0.837 0.000 1.183 270 P CA 0.023 62.444 63.100 -1.131 0.000 0.763 270 P CB 0.007 31.413 31.700 -0.490 0.000 0.807 271 H N 0.265 118.520 119.070 -1.358 0.000 2.732 271 H HA 0.155 4.711 4.556 -0.000 0.000 0.351 271 H C 1.004 176.163 175.328 -0.281 0.000 1.090 271 H CA -0.639 55.113 56.048 -0.493 0.000 1.431 271 H CB 0.669 30.337 29.762 -0.156 0.000 1.447 271 H HN 0.475 nan 8.280 nan 0.000 0.582 272 S N 2.675 118.382 115.700 0.012 0.000 2.584 272 S HA 0.007 4.477 4.470 -0.000 0.000 0.270 272 S C 1.437 176.113 174.600 0.127 0.000 1.346 272 S CA -0.759 57.481 58.200 0.066 0.000 1.018 272 S CB 0.670 63.923 63.200 0.088 0.000 0.899 272 S HN 0.581 nan 8.310 nan 0.000 0.542 273 L N 0.867 122.188 121.223 0.163 0.000 2.083 273 L HA -0.093 4.247 4.340 -0.000 0.000 0.209 273 L C 3.015 180.009 176.870 0.205 0.000 1.083 273 L CA 1.678 56.633 54.840 0.192 0.000 0.752 273 L CB -0.615 41.582 42.059 0.230 0.000 0.899 273 L HN 0.831 nan 8.230 nan 0.000 0.433 274 R N 0.656 121.282 120.500 0.210 0.000 2.096 274 R HA -0.224 4.116 4.340 -0.000 0.000 0.240 274 R C 2.356 178.824 176.300 0.280 0.000 1.139 274 R CA 1.756 57.999 56.100 0.239 0.000 0.952 274 R CB -0.301 30.101 30.300 0.170 0.000 0.854 274 R HN 0.332 nan 8.270 nan 0.000 0.436 275 A N 0.743 123.691 122.820 0.212 0.000 1.902 275 A HA -0.218 4.102 4.320 -0.000 0.000 0.217 275 A C 2.092 179.818 177.584 0.236 0.000 1.181 275 A CA 1.597 53.763 52.037 0.214 0.000 0.623 275 A CB -0.507 18.567 19.000 0.124 0.000 0.818 275 A HN 0.561 nan 8.150 nan 0.000 0.443 276 Q N -0.959 118.970 119.800 0.216 0.000 2.084 276 Q HA -0.206 4.134 4.340 -0.000 0.000 0.202 276 Q C 2.304 178.370 176.000 0.110 0.000 0.978 276 Q CA 1.406 57.310 55.803 0.169 0.000 0.844 276 Q CB -0.217 28.622 28.738 0.169 0.000 0.898 276 Q HN 0.616 nan 8.270 nan 0.000 0.426 277 Q N 0.099 119.987 119.800 0.147 0.000 2.084 277 Q HA -0.137 4.203 4.340 -0.000 0.000 0.202 277 Q C 2.242 178.288 176.000 0.077 0.000 0.978 277 Q CA 1.245 57.109 55.803 0.103 0.000 0.844 277 Q CB -0.383 28.456 28.738 0.169 0.000 0.898 277 Q HN 0.263 nan 8.270 nan 0.000 0.426 278 S N 0.031 115.880 115.700 0.248 0.000 2.359 278 S HA -0.150 4.320 4.470 -0.000 0.000 0.223 278 S C 2.085 176.764 174.600 0.131 0.000 1.039 278 S CA 1.625 60.041 58.200 0.359 0.000 1.042 278 S CB -0.211 63.371 63.200 0.637 0.000 0.915 278 S HN 0.203 nan 8.310 nan 0.000 0.439 279 V N 2.274 122.256 119.914 0.114 0.000 2.287 279 V HA -0.173 3.947 4.120 -0.000 0.000 0.248 279 V C 2.743 178.717 176.094 -0.200 0.000 1.053 279 V CA 2.184 64.495 62.300 0.017 0.000 1.027 279 V CB -0.775 31.072 31.823 0.039 0.000 0.646 279 V HN 0.448 nan 8.190 nan 0.000 0.447 280 R N -0.434 119.962 120.500 -0.174 0.000 2.081 280 R HA -0.108 4.232 4.340 -0.000 0.000 0.235 280 R C 2.293 178.420 176.300 -0.288 0.000 1.131 280 R CA 1.442 57.415 56.100 -0.213 0.000 0.960 280 R CB -0.470 29.743 30.300 -0.146 0.000 0.856 280 R HN 0.425 nan 8.270 nan 0.000 0.436 281 L N -0.049 120.976 121.223 -0.329 0.000 2.141 281 L HA -0.161 4.179 4.340 -0.000 0.000 0.209 281 L C 2.480 178.962 176.870 -0.647 0.000 1.094 281 L CA 0.875 55.454 54.840 -0.435 0.000 0.763 281 L CB -0.200 41.599 42.059 -0.432 0.000 0.908 281 L HN 0.210 nan 8.230 nan 0.000 0.437 282 M N -0.854 118.225 119.600 -0.868 0.000 2.299 282 M HA -0.054 4.426 4.480 -0.000 0.000 0.264 282 M C 2.728 178.504 176.300 -0.874 0.000 1.095 282 M CA 1.656 56.273 55.300 -1.139 0.000 1.165 282 M CB -0.933 30.542 32.600 -1.875 0.000 1.349 282 M HN 0.327 nan 8.290 nan 0.000 0.446 283 S N 0.402 115.669 115.700 -0.722 0.000 2.368 283 S HA -0.135 4.335 4.470 -0.000 0.000 0.225 283 S C 1.618 176.143 174.600 -0.125 0.000 1.030 283 S CA 1.268 59.346 58.200 -0.204 0.000 0.999 283 S CB -0.666 62.580 63.200 0.076 0.000 0.844 283 S HN 0.533 nan 8.310 nan 0.000 0.459 284 E N 1.395 121.484 120.200 -0.185 0.000 2.427 284 E HA 0.138 4.488 4.350 -0.000 0.000 0.196 284 E C -0.126 176.394 176.600 -0.133 0.000 1.028 284 E CA 0.106 56.430 56.400 -0.126 0.000 0.864 284 E CB 0.028 29.648 29.700 -0.133 0.000 0.813 284 E HN 0.517 nan 8.360 nan 0.000 0.514 285 N N 1.073 119.661 118.700 -0.186 0.000 2.361 285 N HA 0.226 4.966 4.740 -0.000 0.000 0.302 285 N C -1.120 174.309 175.510 -0.136 0.000 1.074 285 N CA -0.277 52.675 53.050 -0.164 0.000 0.850 285 N CB 1.978 40.343 38.487 -0.203 0.000 1.228 285 N HN -0.069 nan 8.380 nan 0.000 0.491 286 D N -0.937 119.405 120.400 -0.095 0.000 2.559 286 D HA 0.227 4.867 4.640 -0.000 0.000 0.250 286 D C -0.951 175.310 176.300 -0.065 0.000 1.135 286 D CA -0.230 53.728 54.000 -0.070 0.000 0.955 286 D CB 1.322 42.094 40.800 -0.047 0.000 1.442 286 D HN 0.502 nan 8.370 nan 0.000 0.471 287 D N 0.206 120.573 120.400 -0.054 0.000 2.708 287 D HA -0.180 4.460 4.640 -0.000 0.000 0.236 287 D C -0.777 175.489 176.300 -0.058 0.000 1.146 287 D CA 0.463 54.433 54.000 -0.050 0.000 0.662 287 D CB -0.907 39.868 40.800 -0.042 0.000 1.059 287 D HN 0.302 nan 8.370 nan 0.000 0.428 288 L N 0.517 121.698 121.223 -0.071 0.000 2.455 288 L HA 0.208 4.548 4.340 -0.000 0.000 0.272 288 L C 1.492 178.321 176.870 -0.069 0.000 1.174 288 L CA 0.578 55.376 54.840 -0.070 0.000 0.869 288 L CB 0.572 42.579 42.059 -0.086 0.000 1.130 288 L HN 0.236 nan 8.230 nan 0.000 0.474 289 T N -0.200 114.325 114.554 -0.047 0.000 2.944 289 T HA 0.259 4.609 4.350 -0.000 0.000 0.284 289 T C 0.803 175.488 174.700 -0.024 0.000 1.010 289 T CA -0.922 61.150 62.100 -0.046 0.000 1.025 289 T CB 1.570 70.415 68.868 -0.038 0.000 1.079 289 T HN 0.436 nan 8.240 nan 0.000 0.516 290 L N 0.814 122.015 121.223 -0.037 0.000 2.042 290 L HA 0.008 4.348 4.340 -0.000 0.000 0.210 290 L C 2.354 179.234 176.870 0.017 0.000 1.076 290 L CA 1.932 56.774 54.840 0.004 0.000 0.749 290 L CB -1.240 40.807 42.059 -0.019 0.000 0.893 290 L HN 0.837 nan 8.230 nan 0.000 0.432 291 E N -0.449 119.723 120.200 -0.046 0.000 2.033 291 E HA -0.276 4.074 4.350 -0.000 0.000 0.199 291 E C 2.331 178.900 176.600 -0.051 0.000 1.011 291 E CA 1.648 57.997 56.400 -0.085 0.000 0.815 291 E CB -0.336 29.314 29.700 -0.082 0.000 0.755 291 E HN 0.287 nan 8.360 nan 0.000 0.451 292 R N 0.038 120.526 120.500 -0.021 0.000 2.091 292 R HA -0.139 4.201 4.340 -0.000 0.000 0.238 292 R C 2.023 178.338 176.300 0.025 0.000 1.136 292 R CA 1.290 57.381 56.100 -0.016 0.000 0.959 292 R CB -0.898 29.387 30.300 -0.025 0.000 0.856 292 R HN 0.256 nan 8.270 nan 0.000 0.437 293 F N 0.203 120.093 119.950 -0.100 0.000 2.134 293 F HA -0.134 4.392 4.527 -0.000 0.000 0.299 293 F C 1.962 177.760 175.800 -0.004 0.000 1.097 293 F CA 1.865 59.830 58.000 -0.059 0.000 1.264 293 F CB -0.241 38.727 39.000 -0.054 0.000 1.001 293 F HN 0.023 nan 8.300 nan 0.000 0.479 294 M N -0.251 119.319 119.600 -0.050 0.000 2.086 294 M HA -0.183 4.297 4.480 -0.000 0.000 0.261 294 M C 2.466 178.667 176.300 -0.165 0.000 1.067 294 M CA 1.782 56.945 55.300 -0.229 0.000 1.116 294 M CB -0.798 31.616 32.600 -0.310 0.000 1.348 294 M HN 0.253 nan 8.290 nan 0.000 0.407 295 A N 0.440 123.199 122.820 -0.101 0.000 1.933 295 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 295 A C 2.096 179.643 177.584 -0.061 0.000 1.175 295 A CA 1.440 53.437 52.037 -0.066 0.000 0.628 295 A CB -0.963 18.002 19.000 -0.058 0.000 0.814 295 A HN 0.465 nan 8.150 nan 0.000 0.444 296 L N -0.819 120.360 121.223 -0.074 0.000 2.141 296 L HA -0.193 4.147 4.340 -0.000 0.000 0.209 296 L C 2.828 179.710 176.870 0.020 0.000 1.094 296 L CA 1.303 56.105 54.840 -0.063 0.000 0.763 296 L CB -0.448 41.527 42.059 -0.141 0.000 0.908 296 L HN 0.487 nan 8.230 nan 0.000 0.437 297 Q N 0.788 120.586 119.800 -0.003 0.000 2.234 297 Q HA -0.184 4.156 4.340 -0.000 0.000 0.206 297 Q C 2.053 178.132 176.000 0.131 0.000 0.980 297 Q CA 1.413 57.198 55.803 -0.031 0.000 0.869 297 Q CB -0.055 28.557 28.738 -0.210 0.000 0.912 297 Q HN 0.559 nan 8.270 nan 0.000 0.436 298 L N 0.721 121.992 121.223 0.081 0.000 2.610 298 L HA 0.046 4.386 4.340 -0.000 0.000 0.232 298 L C 0.887 177.832 176.870 0.125 0.000 1.149 298 L CA -0.311 54.618 54.840 0.148 0.000 0.872 298 L CB -0.069 42.078 42.059 0.145 0.000 0.992 298 L HN -0.119 nan 8.230 nan 0.000 0.447 299 S N 0.639 116.371 115.700 0.052 0.000 2.593 299 S HA -0.065 4.404 4.470 -0.000 0.000 0.300 299 S C 0.411 175.068 174.600 0.094 0.000 1.267 299 S CA 0.250 58.421 58.200 -0.049 0.000 1.065 299 S CB -0.098 63.096 63.200 -0.010 0.000 0.807 299 S HN 0.516 nan 8.310 nan 0.000 0.499 300 H N -0.127 119.053 119.070 0.183 0.000 2.924 300 H HA 0.517 5.073 4.556 -0.000 0.000 0.229 300 H C -0.457 175.021 175.328 0.250 0.000 1.345 300 H CA -0.798 55.415 56.048 0.276 0.000 1.044 300 H CB -0.330 29.612 29.762 0.299 0.000 2.221 300 H HN 0.335 nan 8.280 nan 0.000 0.574 301 R N 1.395 121.997 120.500 0.170 0.000 2.543 301 R HA 0.570 4.910 4.340 -0.000 0.000 0.277 301 R C 0.106 176.425 176.300 0.032 0.000 1.074 301 R CA 0.250 56.345 56.100 -0.007 0.000 1.076 301 R CB 0.487 30.748 30.300 -0.064 0.000 0.993 301 R HN 0.535 nan 8.270 nan 0.000 0.459 302 A N 4.838 127.447 122.820 -0.351 0.000 3.126 302 A HA 0.199 4.519 4.320 -0.000 0.000 0.268 302 A C 1.011 178.484 177.584 -0.184 0.000 1.605 302 A CA -0.561 51.278 52.037 -0.330 0.000 1.305 302 A CB -0.385 18.035 19.000 -0.967 0.000 1.160 302 A HN 0.695 nan 8.150 nan 0.000 0.609 303 V N 1.080 121.010 119.914 0.027 0.000 2.439 303 V HA -0.359 3.761 4.120 -0.000 0.000 0.253 303 V C 2.436 178.617 176.094 0.145 0.000 1.074 303 V CA 2.596 64.935 62.300 0.065 0.000 1.076 303 V CB -0.824 31.080 31.823 0.135 0.000 0.664 303 V HN 0.920 nan 8.190 nan 0.000 0.461 304 M N -0.512 119.253 119.600 0.275 0.000 2.296 304 M HA -0.091 4.389 4.480 -0.000 0.000 0.265 304 M C 2.148 178.701 176.300 0.422 0.000 1.064 304 M CA 1.664 57.251 55.300 0.477 0.000 1.109 304 M CB -0.209 32.805 32.600 0.689 0.000 1.396 304 M HN 0.393 nan 8.290 nan 0.000 0.430 305 A N 0.390 123.193 122.820 -0.029 0.000 1.902 305 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 305 A C 1.678 179.169 177.584 -0.155 0.000 1.181 305 A CA 2.005 53.804 52.037 -0.396 0.000 0.623 305 A CB -0.870 17.499 19.000 -1.051 0.000 0.818 305 A HN 0.495 nan 8.150 nan 0.000 0.443 306 D N -0.579 119.744 120.400 -0.129 0.000 2.182 306 D HA -0.128 4.512 4.640 -0.000 0.000 0.201 306 D C 1.896 178.269 176.300 0.121 0.000 0.986 306 D CA 0.904 54.886 54.000 -0.029 0.000 0.847 306 D CB -0.166 40.620 40.800 -0.024 0.000 0.942 306 D HN 0.271 nan 8.370 nan 0.000 0.467 307 R N -0.231 120.382 120.500 0.190 0.000 2.246 307 R HA 0.049 4.389 4.340 -0.000 0.000 0.199 307 R C 1.919 178.230 176.300 0.018 0.000 0.984 307 R CA 0.805 57.050 56.100 0.242 0.000 1.015 307 R CB -0.059 30.501 30.300 0.435 0.000 0.930 307 R HN 0.351 nan 8.270 nan 0.000 0.475 308 T N -3.498 111.090 114.554 0.057 0.000 3.057 308 T HA 0.213 4.563 4.350 -0.000 0.000 0.254 308 T C 1.972 176.589 174.700 -0.138 0.000 0.965 308 T CA -0.300 61.768 62.100 -0.055 0.000 0.978 308 T CB -0.205 68.671 68.868 0.014 0.000 1.169 308 T HN -0.047 nan 8.240 nan 0.000 0.489 309 L N 1.321 122.485 121.223 -0.099 0.000 2.083 309 L HA 0.083 4.423 4.340 -0.000 0.000 0.209 309 L C -0.635 176.172 176.870 -0.105 0.000 1.083 309 L CA 1.231 55.986 54.840 -0.143 0.000 0.752 309 L CB -1.564 40.422 42.059 -0.120 0.000 0.899 309 L HN 0.231 nan 8.230 nan 0.000 0.433 310 P HA -0.168 nan 4.420 nan 0.000 0.216 310 P C 0.800 178.087 177.300 -0.021 0.000 1.150 310 P CA 1.451 64.545 63.100 -0.010 0.000 0.843 310 P CB 0.046 31.790 31.700 0.073 0.000 0.787 311 D N -1.768 118.600 120.400 -0.053 0.000 2.216 311 D HA -0.025 4.614 4.640 -0.000 0.000 0.208 311 D C 1.818 178.070 176.300 -0.079 0.000 0.960 311 D CA 0.456 54.428 54.000 -0.047 0.000 0.861 311 D CB -0.758 40.014 40.800 -0.046 0.000 0.985 311 D HN 0.028 nan 8.370 nan 0.000 0.493 312 L N 1.008 122.139 121.223 -0.153 0.000 2.005 312 L HA -0.122 4.218 4.340 -0.000 0.000 0.207 312 L C 1.945 178.709 176.870 -0.178 0.000 1.072 312 L CA 1.289 55.993 54.840 -0.227 0.000 0.744 312 L CB -0.453 41.312 42.059 -0.489 0.000 0.895 312 L HN -0.099 nan 8.230 nan 0.000 0.433 313 I N 0.805 121.282 120.570 -0.156 0.000 2.091 313 I HA -0.217 3.953 4.170 -0.000 0.000 0.239 313 I C -0.107 175.968 176.117 -0.071 0.000 1.061 313 I CA 1.958 63.193 61.300 -0.109 0.000 1.317 313 I CB -3.104 34.846 38.000 -0.082 0.000 1.031 313 I HN 0.278 nan 8.210 nan 0.000 0.401 314 P HA -0.137 nan 4.420 nan 0.000 0.215 314 P C 1.623 178.907 177.300 -0.027 0.000 1.153 314 P CA 2.226 65.308 63.100 -0.031 0.000 0.853 314 P CB -0.071 31.619 31.700 -0.018 0.000 0.788 315 A N 0.550 123.351 122.820 -0.031 0.000 1.940 315 A HA -0.095 4.225 4.320 -0.000 0.000 0.219 315 A C 2.477 180.045 177.584 -0.026 0.000 1.176 315 A CA 2.305 54.330 52.037 -0.021 0.000 0.631 315 A CB -1.528 17.462 19.000 -0.015 0.000 0.814 315 A HN 0.248 nan 8.150 nan 0.000 0.446 316 A N -0.677 122.113 122.820 -0.051 0.000 1.968 316 A HA 0.114 4.434 4.320 -0.000 0.000 0.217 316 A C 2.066 179.630 177.584 -0.033 0.000 1.169 316 A CA 1.208 53.215 52.037 -0.050 0.000 0.638 316 A CB -0.446 18.501 19.000 -0.089 0.000 0.812 316 A HN 0.458 nan 8.150 nan 0.000 0.446 317 L N -0.613 120.591 121.223 -0.032 0.000 2.217 317 L HA -0.029 4.310 4.340 -0.000 0.000 0.211 317 L C 2.169 179.031 176.870 -0.013 0.000 1.107 317 L CA 0.555 55.382 54.840 -0.022 0.000 0.783 317 L CB -0.309 41.737 42.059 -0.022 0.000 0.919 317 L HN 0.348 nan 8.230 nan 0.000 0.442 318 I N -0.274 120.290 120.570 -0.010 0.000 2.454 318 I HA -0.223 3.947 4.170 -0.000 0.000 0.254 318 I C 0.726 176.842 176.117 -0.001 0.000 1.156 318 I CA 0.594 61.892 61.300 -0.004 0.000 1.433 318 I CB -0.204 37.796 38.000 -0.000 0.000 1.082 318 I HN 0.250 nan 8.210 nan 0.000 0.432 319 D N 1.029 121.428 120.400 -0.002 0.000 2.424 319 D HA 0.010 4.650 4.640 -0.000 0.000 0.244 319 D C -1.254 175.047 176.300 0.002 0.000 1.134 319 D CA -1.337 52.664 54.000 0.002 0.000 0.881 319 D CB 1.021 41.823 40.800 0.003 0.000 1.191 319 D HN -0.026 nan 8.370 nan 0.000 0.445 320 P HA -0.109 nan 4.420 nan 0.000 0.220 320 P C 0.016 177.318 177.300 0.003 0.000 1.148 320 P CA 0.493 63.595 63.100 0.004 0.000 0.803 320 P CB 0.125 31.829 31.700 0.005 0.000 0.782 321 D N 0.843 121.245 120.400 0.005 0.000 2.382 321 D HA 0.035 4.675 4.640 -0.000 0.000 0.259 321 D C -1.484 174.817 176.300 0.001 0.000 1.224 321 D CA -2.003 52.000 54.000 0.005 0.000 0.894 321 D CB 1.078 41.883 40.800 0.008 0.000 1.127 321 D HN -0.009 nan 8.370 nan 0.000 0.487 322 P HA -0.114 nan 4.420 nan 0.000 0.218 322 P C 1.041 178.340 177.300 -0.003 0.000 1.148 322 P CA 0.874 63.973 63.100 -0.002 0.000 0.822 322 P CB 0.333 32.032 31.700 -0.001 0.000 0.784 323 E N -0.460 119.740 120.200 0.000 0.000 2.152 323 E HA -0.094 4.256 4.350 -0.000 0.000 0.192 323 E C 1.760 178.359 176.600 -0.001 0.000 0.983 323 E CA 0.639 57.039 56.400 0.000 0.000 0.818 323 E CB -0.200 29.504 29.700 0.005 0.000 0.758 323 E HN -0.064 nan 8.360 nan 0.000 0.467 324 V N 1.138 121.052 119.914 -0.000 0.000 2.295 324 V HA -0.291 3.828 4.120 -0.000 0.000 0.246 324 V C 2.329 178.413 176.094 -0.017 0.000 1.049 324 V CA 2.008 64.305 62.300 -0.006 0.000 1.024 324 V CB -0.617 31.205 31.823 -0.001 0.000 0.648 324 V HN 0.304 nan 8.190 nan 0.000 0.447 325 Q N -0.067 119.725 119.800 -0.014 0.000 2.077 325 Q HA -0.230 4.110 4.340 -0.000 0.000 0.206 325 Q C 2.413 178.402 176.000 -0.019 0.000 0.989 325 Q CA 2.077 57.869 55.803 -0.017 0.000 0.853 325 Q CB -0.491 28.240 28.738 -0.012 0.000 0.907 325 Q HN 0.681 nan 8.270 nan 0.000 0.418 326 A N 0.820 123.631 122.820 -0.015 0.000 1.933 326 A HA -0.134 4.185 4.320 -0.000 0.000 0.218 326 A C 2.274 179.845 177.584 -0.021 0.000 1.175 326 A CA 1.579 53.606 52.037 -0.016 0.000 0.628 326 A CB -0.838 18.155 19.000 -0.012 0.000 0.814 326 A HN 0.421 nan 8.150 nan 0.000 0.444 327 A N -0.021 122.785 122.820 -0.022 0.000 1.877 327 A HA 0.130 4.450 4.320 -0.000 0.000 0.216 327 A C 2.522 180.081 177.584 -0.043 0.000 1.186 327 A CA 2.171 54.191 52.037 -0.029 0.000 0.620 327 A CB -1.085 17.901 19.000 -0.023 0.000 0.822 327 A HN 1.098 nan 8.150 nan 0.000 0.443 328 A N -0.229 122.561 122.820 -0.050 0.000 1.908 328 A HA -0.197 4.122 4.320 -0.000 0.000 0.218 328 A C 2.267 179.827 177.584 -0.040 0.000 1.181 328 A CA 1.638 53.638 52.037 -0.061 0.000 0.627 328 A CB -0.462 18.502 19.000 -0.061 0.000 0.818 328 A HN 0.570 nan 8.150 nan 0.000 0.445 329 R N -1.361 119.122 120.500 -0.029 0.000 2.090 329 R HA -0.012 4.328 4.340 -0.000 0.000 0.228 329 R C 2.098 178.391 176.300 -0.012 0.000 1.110 329 R CA 1.109 57.198 56.100 -0.019 0.000 0.973 329 R CB -0.527 29.763 30.300 -0.017 0.000 0.869 329 R HN 0.485 nan 8.270 nan 0.000 0.440 330 L N 1.374 122.586 121.223 -0.018 0.000 2.012 330 L HA -0.153 4.187 4.340 -0.000 0.000 0.210 330 L C 1.963 178.834 176.870 0.001 0.000 1.073 330 L CA 1.704 56.531 54.840 -0.022 0.000 0.748 330 L CB -0.443 41.589 42.059 -0.045 0.000 0.891 330 L HN 0.103 nan 8.230 nan 0.000 0.431 331 L N -0.686 120.540 121.223 0.005 0.000 2.046 331 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 331 L C 2.667 179.596 176.870 0.099 0.000 1.077 331 L CA 1.139 56.023 54.840 0.074 0.000 0.747 331 L CB -0.954 41.126 42.059 0.034 0.000 0.896 331 L HN 0.374 nan 8.230 nan 0.000 0.432 332 A N -0.006 122.830 122.820 0.026 0.000 1.933 332 A HA -0.150 4.170 4.320 -0.000 0.000 0.218 332 A C 2.435 180.030 177.584 0.019 0.000 1.175 332 A CA 1.808 53.847 52.037 0.004 0.000 0.628 332 A CB -0.579 18.412 19.000 -0.015 0.000 0.814 332 A HN 0.410 nan 8.150 nan 0.000 0.444 333 A N -2.037 120.808 122.820 0.043 0.000 2.072 333 A HA 0.154 4.474 4.320 -0.000 0.000 0.216 333 A C 0.799 178.440 177.584 0.094 0.000 1.156 333 A CA 0.057 52.119 52.037 0.042 0.000 0.701 333 A CB -0.432 18.585 19.000 0.028 0.000 0.816 333 A HN 0.665 nan 8.150 nan 0.000 0.458 334 W N 3.149 124.386 121.300 -0.105 0.000 2.295 334 W HA 0.180 4.840 4.660 -0.000 0.000 0.335 334 W C 0.420 176.849 176.519 -0.150 0.000 1.351 334 W CA -0.171 57.094 57.345 -0.134 0.000 1.273 334 W CB 0.500 29.859 29.460 -0.168 0.000 1.214 334 W HN 0.451 nan 8.180 nan 0.000 0.563 335 D N 3.904 124.195 120.400 -0.182 0.000 2.378 335 D HA -0.173 4.467 4.640 -0.000 0.000 0.227 335 D C 0.695 176.537 176.300 -0.762 0.000 1.012 335 D CA 0.535 54.316 54.000 -0.364 0.000 0.905 335 D CB -0.229 40.459 40.800 -0.186 0.000 0.895 335 D HN 0.672 nan 8.370 nan 0.000 0.532 336 R N -0.849 118.620 120.500 -1.718 0.000 3.774 336 R HA -0.103 4.237 4.340 -0.000 0.000 0.320 336 R C -0.870 174.615 176.300 -1.358 0.000 1.175 336 R CA 0.767 55.577 56.100 -2.150 0.000 0.849 336 R CB -1.786 27.791 30.300 -1.204 0.000 1.365 336 R HN 0.320 nan 8.270 nan 0.000 0.502 337 E N 0.312 119.991 120.200 -0.869 0.000 2.183 337 E HA 0.195 4.545 4.350 -0.000 0.000 0.271 337 E C -0.253 176.270 176.600 -0.128 0.000 0.919 337 E CA -0.749 55.488 56.400 -0.271 0.000 0.781 337 E CB 0.617 30.335 29.700 0.030 0.000 1.140 337 E HN 0.064 nan 8.360 nan 0.000 0.402 338 F N 2.072 122.028 119.950 0.009 0.000 2.678 338 F HA 0.024 4.550 4.527 -0.000 0.000 0.358 338 F C 1.205 176.584 175.800 -0.702 0.000 1.256 338 F CA -0.188 57.536 58.000 -0.460 0.000 1.278 338 F CB -0.274 38.498 39.000 -0.379 0.000 1.681 338 F HN 0.125 nan 8.300 nan 0.000 0.661 339 T N -3.207 111.157 114.554 -0.317 0.000 2.927 339 T HA 0.217 4.567 4.350 -0.000 0.000 0.281 339 T C 1.308 175.987 174.700 -0.035 0.000 0.998 339 T CA -0.820 61.157 62.100 -0.204 0.000 1.019 339 T CB 1.720 70.555 68.868 -0.056 0.000 1.061 339 T HN 0.237 nan 8.240 nan 0.000 0.518 340 S N 1.208 116.944 115.700 0.060 0.000 2.383 340 S HA -0.143 4.327 4.470 -0.000 0.000 0.229 340 S C 1.635 176.284 174.600 0.082 0.000 1.030 340 S CA 1.550 59.824 58.200 0.122 0.000 1.002 340 S CB -0.553 62.674 63.200 0.046 0.000 0.829 340 S HN 0.983 nan 8.310 nan 0.000 0.467 341 D N 1.161 121.585 120.400 0.039 0.000 2.355 341 D HA 0.079 4.718 4.640 -0.000 0.000 0.218 341 D C 0.614 176.919 176.300 0.008 0.000 1.004 341 D CA 0.073 54.085 54.000 0.019 0.000 0.880 341 D CB -0.484 40.324 40.800 0.014 0.000 0.911 341 D HN 0.204 nan 8.370 nan 0.000 0.528 342 S N 0.150 115.856 115.700 0.010 0.000 2.525 342 S HA 0.060 4.530 4.470 -0.000 0.000 0.285 342 S C 1.030 175.553 174.600 -0.129 0.000 1.283 342 S CA -0.440 57.721 58.200 -0.064 0.000 1.072 342 S CB 0.474 63.604 63.200 -0.116 0.000 0.867 342 S HN 0.181 nan 8.310 nan 0.000 0.492 343 R N 3.371 123.765 120.500 -0.177 0.000 2.280 343 R HA 0.154 4.494 4.340 -0.000 0.000 0.195 343 R C 1.763 177.904 176.300 -0.264 0.000 0.935 343 R CA 0.799 56.799 56.100 -0.167 0.000 1.033 343 R CB -0.006 30.231 30.300 -0.104 0.000 0.964 343 R HN 0.700 nan 8.270 nan 0.000 0.489 344 A N 0.447 122.969 122.820 -0.497 0.000 2.197 344 A HA 0.274 4.594 4.320 -0.000 0.000 0.210 344 A C 2.084 179.165 177.584 -0.839 0.000 1.180 344 A CA 0.631 52.283 52.037 -0.642 0.000 0.846 344 A CB 0.121 18.701 19.000 -0.700 0.000 0.884 344 A HN 0.235 nan 8.150 nan 0.000 0.487 345 A N 0.536 122.789 122.820 -0.945 0.000 1.877 345 A HA -0.074 4.246 4.320 -0.000 0.000 0.216 345 A C 2.069 179.651 177.584 -0.003 0.000 1.186 345 A CA 1.532 53.186 52.037 -0.637 0.000 0.620 345 A CB -0.645 18.182 19.000 -0.289 0.000 0.822 345 A HN 0.456 nan 8.150 nan 0.000 0.443 346 L N -1.119 120.101 121.223 -0.005 0.000 2.017 346 L HA -0.189 4.150 4.340 -0.000 0.000 0.208 346 L C 2.579 179.463 176.870 0.024 0.000 1.073 346 L CA 1.311 56.113 54.840 -0.063 0.000 0.745 346 L CB -0.620 41.157 42.059 -0.470 0.000 0.894 346 L HN 0.478 nan 8.230 nan 0.000 0.432 347 L N -0.440 120.771 121.223 -0.021 0.000 2.012 347 L HA -0.261 4.079 4.340 -0.000 0.000 0.210 347 L C 2.383 179.336 176.870 0.138 0.000 1.073 347 L CA 1.769 56.639 54.840 0.051 0.000 0.748 347 L CB -0.698 41.357 42.059 -0.008 0.000 0.891 347 L HN 0.130 nan 8.230 nan 0.000 0.431 348 F N 0.635 120.578 119.950 -0.011 0.000 2.102 348 F HA -0.206 4.321 4.527 -0.000 0.000 0.298 348 F C 2.314 178.303 175.800 0.315 0.000 1.105 348 F CA 2.019 60.108 58.000 0.149 0.000 1.239 348 F CB -0.319 38.743 39.000 0.102 0.000 0.991 348 F HN 0.244 nan 8.300 nan 0.000 0.474 349 E N -0.153 120.201 120.200 0.256 0.000 2.097 349 E HA -0.236 4.114 4.350 -0.000 0.000 0.196 349 E C 2.056 178.768 176.600 0.186 0.000 1.000 349 E CA 1.449 57.964 56.400 0.192 0.000 0.804 349 E CB -0.243 29.672 29.700 0.358 0.000 0.740 349 E HN 0.445 nan 8.360 nan 0.000 0.454 350 E N -0.114 120.206 120.200 0.200 0.000 2.150 350 E HA -0.172 4.178 4.350 -0.000 0.000 0.193 350 E C 1.591 178.274 176.600 0.139 0.000 0.985 350 E CA 0.649 57.160 56.400 0.185 0.000 0.814 350 E CB -0.262 29.554 29.700 0.194 0.000 0.752 350 E HN 0.436 nan 8.360 nan 0.000 0.466 351 W N 1.596 122.860 121.300 -0.060 0.000 2.407 351 W HA -0.023 4.637 4.660 -0.000 0.000 0.305 351 W C 2.308 178.780 176.519 -0.079 0.000 1.196 351 W CA 1.995 59.284 57.345 -0.093 0.000 1.311 351 W CB -0.346 29.019 29.460 -0.159 0.000 1.135 351 W HN 0.013 nan 8.180 nan 0.000 0.514 352 A N 0.888 123.540 122.820 -0.279 0.000 1.972 352 A HA -0.157 4.163 4.320 -0.000 0.000 0.219 352 A C 1.992 179.595 177.584 0.031 0.000 1.169 352 A CA 1.601 53.454 52.037 -0.306 0.000 0.635 352 A CB -0.734 18.104 19.000 -0.269 0.000 0.810 352 A HN 0.403 nan 8.150 nan 0.000 0.446 353 R N -0.683 119.919 120.500 0.170 0.000 2.127 353 R HA -0.090 4.250 4.340 -0.000 0.000 0.238 353 R C 1.805 178.010 176.300 -0.158 0.000 1.134 353 R CA 1.530 57.618 56.100 -0.021 0.000 0.975 353 R CB -0.396 29.888 30.300 -0.026 0.000 0.865 353 R HN 0.544 nan 8.270 nan 0.000 0.447 354 L N -1.446 119.659 121.223 -0.198 0.000 2.168 354 L HA -0.023 4.317 4.340 -0.000 0.000 0.203 354 L C 2.130 178.824 176.870 -0.292 0.000 1.078 354 L CA 0.431 55.139 54.840 -0.219 0.000 0.780 354 L CB -0.339 41.611 42.059 -0.182 0.000 0.939 354 L HN 0.073 nan 8.230 nan 0.000 0.451 355 F N 1.172 120.712 119.950 -0.683 0.000 2.186 355 F HA -0.067 4.460 4.527 -0.000 0.000 0.299 355 F C 1.846 177.383 175.800 -0.439 0.000 1.090 355 F CA 1.279 58.833 58.000 -0.744 0.000 1.307 355 F CB 0.090 38.194 39.000 -1.493 0.000 1.019 355 F HN -0.038 nan 8.300 nan 0.000 0.489 356 A N -0.293 122.318 122.820 -0.349 0.000 2.609 356 A HA 0.590 4.910 4.320 -0.000 0.000 0.286 356 A C 0.782 178.274 177.584 -0.154 0.000 1.138 356 A CA 0.317 52.203 52.037 -0.252 0.000 0.960 356 A CB -0.829 18.190 19.000 0.032 0.000 1.208 356 A HN 0.914 nan 8.150 nan 0.000 0.541 357 G N -0.596 108.079 108.800 -0.209 0.000 2.814 357 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.677 357 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.677 357 G C 0.305 174.978 174.900 -0.378 0.000 1.429 357 G CA -0.082 44.879 45.100 -0.232 0.000 0.868 357 G HN 0.145 nan 8.290 nan 0.000 0.553 358 Q N 0.469 120.039 119.800 -0.383 0.000 2.234 358 Q HA -0.140 4.200 4.340 -0.000 0.000 0.206 358 Q C 2.315 177.816 176.000 -0.832 0.000 0.980 358 Q CA 2.110 57.590 55.803 -0.538 0.000 0.869 358 Q CB -0.256 28.287 28.738 -0.324 0.000 0.912 358 Q HN 0.851 nan 8.270 nan 0.000 0.436 359 N N -0.554 117.802 118.700 -0.573 0.000 2.353 359 N HA -0.085 4.655 4.740 -0.000 0.000 0.185 359 N C 0.113 175.429 175.510 -0.324 0.000 1.098 359 N CA 0.073 52.854 53.050 -0.448 0.000 0.872 359 N CB -0.472 37.905 38.487 -0.183 0.000 0.970 359 N HN 0.227 nan 8.380 nan 0.000 0.467 360 F N -1.819 118.088 119.950 -0.073 0.000 2.953 360 F HA -0.294 4.233 4.527 -0.000 0.000 0.292 360 F C 1.244 177.075 175.800 0.052 0.000 0.747 360 F CA 0.352 58.346 58.000 -0.009 0.000 1.222 360 F CB -1.736 37.285 39.000 0.034 0.000 1.457 360 F HN 0.300 nan 8.300 nan 0.000 0.383 361 A N 0.342 123.234 122.820 0.120 0.000 2.303 361 A HA 0.527 4.847 4.320 -0.000 0.000 0.217 361 A C 1.643 179.277 177.584 0.083 0.000 1.205 361 A CA 0.539 52.643 52.037 0.111 0.000 0.875 361 A CB -0.438 18.596 19.000 0.057 0.000 0.910 361 A HN 0.526 nan 8.150 nan 0.000 0.501 362 G N -0.668 108.146 108.800 0.024 0.000 2.391 362 G HA2 0.312 4.271 3.960 -0.000 0.000 0.234 362 G HA3 0.312 4.271 3.960 -0.000 0.000 0.234 362 G C 0.391 175.315 174.900 0.041 0.000 1.284 362 G CA -0.116 44.965 45.100 -0.030 0.000 0.873 362 G HN 0.280 nan 8.290 nan 0.000 0.549 363 Q N 1.211 121.043 119.800 0.054 0.000 2.245 363 Q HA 0.142 4.482 4.340 -0.000 0.000 0.236 363 Q C 2.293 178.374 176.000 0.135 0.000 0.842 363 Q CA 0.507 56.436 55.803 0.209 0.000 0.945 363 Q CB 0.787 29.628 28.738 0.171 0.000 1.122 363 Q HN 0.660 nan 8.270 nan 0.000 0.506 364 A N 0.705 123.505 122.820 -0.034 0.000 2.168 364 A HA 0.080 4.400 4.320 -0.000 0.000 0.215 364 A C 1.955 179.467 177.584 -0.121 0.000 1.152 364 A CA 1.366 53.376 52.037 -0.045 0.000 0.716 364 A CB -0.451 18.512 19.000 -0.060 0.000 0.794 364 A HN 0.342 nan 8.150 nan 0.000 0.465 365 G N -1.228 107.341 108.800 -0.385 0.000 2.551 365 G HA2 0.230 4.190 3.960 -0.000 0.000 0.216 365 G HA3 0.230 4.190 3.960 -0.000 0.000 0.216 365 G C 0.403 175.232 174.900 -0.117 0.000 1.137 365 G CA -0.255 44.519 45.100 -0.543 0.000 0.798 365 G HN 0.359 nan 8.290 nan 0.000 0.536 366 F N 0.125 120.123 119.950 0.080 0.000 2.450 366 F HA 0.440 4.967 4.527 -0.000 0.000 0.339 366 F C 1.592 177.492 175.800 0.167 0.000 1.146 366 F CA -0.070 58.071 58.000 0.235 0.000 1.267 366 F CB 1.464 40.588 39.000 0.207 0.000 1.178 366 F HN 0.065 nan 8.300 nan 0.000 0.585 367 A N 1.090 124.131 122.820 0.369 0.000 1.878 367 A HA 0.073 4.393 4.320 -0.000 0.000 0.213 367 A C 0.848 178.578 177.584 0.243 0.000 1.192 367 A CA 0.792 52.978 52.037 0.248 0.000 0.619 367 A CB -0.472 18.649 19.000 0.203 0.000 0.837 367 A HN 0.626 nan 8.150 nan 0.000 0.446 368 T N 2.718 117.444 114.554 0.288 0.000 2.767 368 T HA 0.505 4.855 4.350 -0.000 0.000 0.284 368 T C -2.747 172.075 174.700 0.204 0.000 0.973 368 T CA -1.275 60.961 62.100 0.227 0.000 0.996 368 T CB 1.813 70.826 68.868 0.241 0.000 0.927 368 T HN 0.205 nan 8.240 nan 0.000 0.456 369 P HA 0.133 nan 4.420 nan 0.000 0.274 369 P C -0.494 176.887 177.300 0.135 0.000 1.246 369 P CA -0.792 62.403 63.100 0.158 0.000 0.795 369 P CB 0.878 32.665 31.700 0.145 0.000 1.006 370 W N 1.819 123.104 121.300 -0.025 0.000 2.170 370 W HA 0.283 4.943 4.660 -0.000 0.000 0.342 370 W C -0.056 176.457 176.519 -0.011 0.000 1.294 370 W CA 1.162 58.484 57.345 -0.039 0.000 1.246 370 W CB 0.466 29.899 29.460 -0.045 0.000 1.156 370 W HN 0.331 nan 8.180 nan 0.000 0.572 371 S N 5.816 120.977 115.700 -0.898 0.000 2.575 371 S HA 0.176 4.646 4.470 -0.000 0.000 0.278 371 S C -0.048 173.676 174.600 -1.461 0.000 1.139 371 S CA -0.868 56.821 58.200 -0.851 0.000 0.954 371 S CB 1.154 64.114 63.200 -0.399 0.000 1.054 371 S HN 0.656 nan 8.310 nan 0.000 0.483 372 L N 3.473 123.965 121.223 -1.219 0.000 2.349 372 L HA 0.078 4.418 4.340 -0.000 0.000 0.220 372 L C 1.340 178.008 176.870 -0.337 0.000 1.130 372 L CA 1.950 56.350 54.840 -0.733 0.000 0.791 372 L CB -0.440 41.507 42.059 -0.188 0.000 0.918 372 L HN 0.753 nan 8.230 nan 0.000 0.444 373 D N -0.433 119.782 120.400 -0.308 0.000 2.323 373 D HA -0.022 4.618 4.640 -0.000 0.000 0.209 373 D C 0.626 176.854 176.300 -0.119 0.000 0.973 373 D CA 0.708 54.626 54.000 -0.137 0.000 0.874 373 D CB 0.233 40.967 40.800 -0.110 0.000 0.930 373 D HN 0.350 nan 8.370 nan 0.000 0.521 374 K N 1.022 121.259 120.400 -0.271 0.000 2.954 374 K HA 0.169 4.488 4.320 -0.000 0.000 0.171 374 K C -2.126 174.269 176.600 -0.343 0.000 1.079 374 K CA -1.080 55.073 56.287 -0.224 0.000 0.908 374 K CB 2.232 34.620 32.500 -0.187 0.000 1.142 374 K HN -0.086 nan 8.250 nan 0.000 0.613 375 P HA -0.045 nan 4.420 nan 0.000 0.249 375 P C 0.755 178.088 177.300 0.056 0.000 1.229 375 P CA 0.596 63.584 63.100 -0.186 0.000 0.788 375 P CB 0.196 31.855 31.700 -0.069 0.000 1.072 376 V N -3.768 116.091 119.914 -0.090 0.000 3.346 376 V HA 0.344 4.464 4.120 -0.000 0.000 0.309 376 V C 1.080 177.164 176.094 -0.017 0.000 1.457 376 V CA 0.620 62.894 62.300 -0.043 0.000 1.069 376 V CB -0.484 31.229 31.823 -0.184 0.000 0.944 376 V HN 0.147 nan 8.190 nan 0.000 0.449 377 S N -0.619 115.068 115.700 -0.021 0.000 2.817 377 S HA 0.293 4.763 4.470 -0.000 0.000 0.262 377 S C 0.616 175.231 174.600 0.025 0.000 1.051 377 S CA 0.442 58.637 58.200 -0.007 0.000 1.185 377 S CB 0.290 63.455 63.200 -0.058 0.000 1.152 377 S HN 0.851 nan 8.310 nan 0.000 0.653 378 T N 0.283 114.852 114.554 0.025 0.000 2.930 378 T HA 0.742 5.092 4.350 -0.000 0.000 0.290 378 T C -3.406 171.426 174.700 0.219 0.000 1.052 378 T CA -2.322 59.812 62.100 0.056 0.000 1.017 378 T CB 1.877 70.694 68.868 -0.085 0.000 1.137 378 T HN -0.050 nan 8.240 nan 0.000 0.511 379 P HA 0.301 nan 4.420 nan 0.000 0.274 379 P C -1.553 175.668 177.300 -0.133 0.000 1.256 379 P CA -0.331 62.660 63.100 -0.181 0.000 0.795 379 P CB 0.400 31.723 31.700 -0.629 0.000 1.038 380 Y N -0.535 119.775 120.300 0.016 0.000 2.504 380 Y HA 0.506 5.056 4.550 -0.000 0.000 0.344 380 Y C 0.018 176.172 175.900 0.423 0.000 1.023 380 Y CA 0.582 58.817 58.100 0.226 0.000 1.020 380 Y CB 1.643 40.176 38.460 0.123 0.000 1.282 380 Y HN 0.989 nan 8.280 nan 0.000 0.454 381 G N 1.667 110.068 108.800 -0.665 0.000 2.756 381 G HA2 -0.022 3.937 3.960 -0.000 0.000 0.678 381 G HA3 -0.022 3.937 3.960 -0.000 0.000 0.678 381 G C -2.179 172.740 174.900 0.032 0.000 1.349 381 G CA -0.599 44.200 45.100 -0.501 0.000 0.847 381 G HN 1.049 nan 8.290 nan 0.000 0.548 382 V N 1.533 121.455 119.914 0.014 0.000 2.384 382 V HA 0.489 4.609 4.120 -0.000 0.000 0.287 382 V C 1.598 177.780 176.094 0.146 0.000 1.020 382 V CA 0.297 62.666 62.300 0.115 0.000 0.850 382 V CB 1.343 33.187 31.823 0.034 0.000 0.987 382 V HN 0.971 nan 8.190 nan 0.000 0.436 383 R N 2.803 123.418 120.500 0.191 0.000 2.062 383 R HA -0.027 4.313 4.340 -0.000 0.000 0.229 383 R C 0.364 176.735 176.300 0.119 0.000 1.128 383 R CA 1.318 57.507 56.100 0.148 0.000 0.960 383 R CB 0.311 30.695 30.300 0.140 0.000 0.855 383 R HN 0.730 nan 8.270 nan 0.000 0.432 384 D N -0.407 120.072 120.400 0.131 0.000 2.404 384 D HA 0.205 4.845 4.640 -0.000 0.000 0.267 384 D C -2.123 174.248 176.300 0.118 0.000 1.194 384 D CA -2.402 51.662 54.000 0.106 0.000 0.910 384 D CB 1.793 42.648 40.800 0.090 0.000 1.090 384 D HN -0.019 nan 8.370 nan 0.000 0.511 385 P HA -0.091 nan 4.420 nan 0.000 0.218 385 P C 1.421 178.768 177.300 0.078 0.000 1.149 385 P CA 0.514 63.662 63.100 0.080 0.000 0.817 385 P CB 0.498 32.225 31.700 0.045 0.000 0.785 386 K N 0.270 120.711 120.400 0.069 0.000 2.026 386 K HA -0.083 4.237 4.320 -0.000 0.000 0.208 386 K C 1.967 178.614 176.600 0.078 0.000 1.048 386 K CA 1.705 58.028 56.287 0.061 0.000 0.929 386 K CB -0.875 31.654 32.500 0.048 0.000 0.713 386 K HN -0.011 nan 8.250 nan 0.000 0.439 387 A N 1.045 123.918 122.820 0.088 0.000 1.908 387 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 387 A C 2.359 180.034 177.584 0.152 0.000 1.181 387 A CA 2.281 54.378 52.037 0.099 0.000 0.627 387 A CB -0.694 18.357 19.000 0.086 0.000 0.818 387 A HN 0.415 nan 8.150 nan 0.000 0.445 388 A N -0.680 122.265 122.820 0.209 0.000 1.933 388 A HA 0.022 4.342 4.320 -0.000 0.000 0.218 388 A C 2.213 180.005 177.584 0.347 0.000 1.175 388 A CA 1.733 53.988 52.037 0.363 0.000 0.628 388 A CB -0.826 18.405 19.000 0.386 0.000 0.814 388 A HN 0.390 nan 8.150 nan 0.000 0.444 389 V N 0.523 120.536 119.914 0.166 0.000 2.343 389 V HA -0.235 3.885 4.120 -0.000 0.000 0.247 389 V C 2.169 178.333 176.094 0.117 0.000 1.051 389 V CA 2.222 64.579 62.300 0.096 0.000 1.036 389 V CB -0.776 31.072 31.823 0.042 0.000 0.654 389 V HN 0.487 nan 8.190 nan 0.000 0.451 390 D N -0.247 120.220 120.400 0.111 0.000 2.149 390 D HA -0.207 4.433 4.640 -0.000 0.000 0.198 390 D C 2.343 178.718 176.300 0.124 0.000 0.990 390 D CA 1.339 55.396 54.000 0.096 0.000 0.839 390 D CB -0.196 40.647 40.800 0.071 0.000 0.948 390 D HN 0.548 nan 8.370 nan 0.000 0.460 391 Q N -0.270 119.638 119.800 0.180 0.000 2.084 391 Q HA -0.137 4.203 4.340 -0.000 0.000 0.202 391 Q C 2.186 178.381 176.000 0.326 0.000 0.978 391 Q CA 0.552 56.472 55.803 0.196 0.000 0.844 391 Q CB -0.108 28.712 28.738 0.136 0.000 0.898 391 Q HN 0.176 nan 8.270 nan 0.000 0.426 392 L N 1.085 122.561 121.223 0.423 0.000 2.042 392 L HA -0.202 4.138 4.340 -0.000 0.000 0.210 392 L C 2.332 179.294 176.870 0.153 0.000 1.076 392 L CA 1.783 56.796 54.840 0.289 0.000 0.749 392 L CB -0.516 41.571 42.059 0.045 0.000 0.893 392 L HN 0.087 nan 8.230 nan 0.000 0.432 393 R N -1.214 119.353 120.500 0.112 0.000 2.094 393 R HA -0.201 4.139 4.340 -0.000 0.000 0.239 393 R C 2.045 178.388 176.300 0.072 0.000 1.137 393 R CA 2.450 58.593 56.100 0.073 0.000 0.943 393 R CB -0.546 29.789 30.300 0.059 0.000 0.850 393 R HN 0.460 nan 8.270 nan 0.000 0.433 394 T N 0.610 115.211 114.554 0.078 0.000 2.684 394 T HA -0.158 4.192 4.350 -0.000 0.000 0.267 394 T C 1.885 176.629 174.700 0.073 0.000 1.036 394 T CA 1.436 63.573 62.100 0.061 0.000 1.148 394 T CB -0.452 68.445 68.868 0.049 0.000 0.863 394 T HN 0.473 nan 8.240 nan 0.000 0.436 395 A N 1.188 124.076 122.820 0.112 0.000 1.917 395 A HA -0.093 4.227 4.320 -0.000 0.000 0.219 395 A C 2.316 179.968 177.584 0.113 0.000 1.182 395 A CA 1.451 53.567 52.037 0.132 0.000 0.633 395 A CB -0.942 18.193 19.000 0.225 0.000 0.819 395 A HN 0.539 nan 8.150 nan 0.000 0.448 396 I N -0.280 120.347 120.570 0.096 0.000 2.163 396 I HA -0.332 3.838 4.170 -0.000 0.000 0.243 396 I C 3.009 179.162 176.117 0.060 0.000 1.085 396 I CA 1.220 62.561 61.300 0.069 0.000 1.347 396 I CB -0.415 37.615 38.000 0.049 0.000 1.044 396 I HN 0.370 nan 8.210 nan 0.000 0.408 397 A N 1.048 123.899 122.820 0.051 0.000 1.883 397 A HA -0.251 4.069 4.320 -0.000 0.000 0.217 397 A C 2.071 179.677 177.584 0.037 0.000 1.186 397 A CA 2.261 54.320 52.037 0.037 0.000 0.624 397 A CB -0.799 18.217 19.000 0.028 0.000 0.822 397 A HN 0.441 nan 8.150 nan 0.000 0.444 398 N N -0.134 118.593 118.700 0.046 0.000 2.069 398 N HA -0.112 4.628 4.740 -0.000 0.000 0.191 398 N C 1.763 177.311 175.510 0.062 0.000 1.031 398 N CA 2.014 55.088 53.050 0.040 0.000 0.852 398 N CB -1.074 37.442 38.487 0.049 0.000 1.018 398 N HN 0.538 nan 8.380 nan 0.000 0.423 399 T N 1.486 116.112 114.554 0.119 0.000 2.684 399 T HA -0.082 4.268 4.350 -0.000 0.000 0.267 399 T C 1.833 176.635 174.700 0.171 0.000 1.036 399 T CA 1.153 63.381 62.100 0.213 0.000 1.148 399 T CB -0.080 68.894 68.868 0.176 0.000 0.863 399 T HN 0.301 nan 8.240 nan 0.000 0.436 400 K N 0.528 120.983 120.400 0.091 0.000 2.097 400 K HA -0.038 4.282 4.320 -0.000 0.000 0.206 400 K C 2.578 179.192 176.600 0.024 0.000 1.049 400 K CA 0.931 57.253 56.287 0.058 0.000 0.933 400 K CB -0.113 32.409 32.500 0.036 0.000 0.717 400 K HN 0.198 nan 8.250 nan 0.000 0.442 401 R N 1.514 122.014 120.500 0.000 0.000 2.073 401 R HA -0.081 4.259 4.340 -0.000 0.000 0.229 401 R C 1.889 178.128 176.300 -0.101 0.000 1.120 401 R CA 1.410 57.487 56.100 -0.038 0.000 0.967 401 R CB 0.154 30.433 30.300 -0.035 0.000 0.862 401 R HN 0.014 nan 8.270 nan 0.000 0.436 402 K N -1.008 119.288 120.400 -0.173 0.000 2.062 402 K HA -0.124 4.196 4.320 -0.000 0.000 0.205 402 K C 1.178 177.441 176.600 -0.561 0.000 1.051 402 K CA 1.445 57.460 56.287 -0.454 0.000 0.941 402 K CB 0.136 32.207 32.500 -0.715 0.000 0.719 402 K HN 0.319 nan 8.250 nan 0.000 0.440 403 Y N -1.662 118.626 120.300 -0.020 0.000 2.453 403 Y HA 0.216 4.766 4.550 -0.000 0.000 0.247 403 Y C 1.300 177.180 175.900 -0.033 0.000 1.124 403 Y CA 0.062 58.141 58.100 -0.035 0.000 1.243 403 Y CB 1.612 40.045 38.460 -0.045 0.000 1.213 403 Y HN 0.219 nan 8.280 nan 0.000 0.523 404 G N 0.515 109.364 108.800 0.082 0.000 2.195 404 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.246 404 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.246 404 G C 0.127 175.053 174.900 0.043 0.000 0.984 404 G CA -0.010 45.116 45.100 0.044 0.000 0.633 404 G HN 0.807 nan 8.290 nan 0.000 0.525 405 A N -1.063 121.796 122.820 0.064 0.000 2.601 405 A HA 0.726 5.046 4.320 -0.000 0.000 0.291 405 A C 0.646 178.257 177.584 0.046 0.000 1.075 405 A CA -0.024 52.035 52.037 0.038 0.000 0.671 405 A CB 0.053 19.063 19.000 0.016 0.000 1.277 405 A HN 1.420 nan 8.150 nan 0.000 0.417 406 I N -1.940 118.643 120.570 0.021 0.000 3.684 406 I HA 0.234 4.404 4.170 -0.000 0.000 0.304 406 I C 0.457 176.555 176.117 -0.032 0.000 1.278 406 I CA 1.044 62.349 61.300 0.010 0.000 1.272 406 I CB 0.071 38.076 38.000 0.007 0.000 1.029 406 I HN 0.452 nan 8.210 nan 0.000 0.458 407 D N 1.034 121.411 120.400 -0.038 0.000 2.673 407 D HA 0.077 4.717 4.640 -0.000 0.000 0.278 407 D C 0.401 176.660 176.300 -0.069 0.000 1.393 407 D CA -0.447 53.514 54.000 -0.066 0.000 0.805 407 D CB -0.199 40.568 40.800 -0.054 0.000 1.110 407 D HN 0.279 nan 8.370 nan 0.000 0.476 408 R N 1.434 121.892 120.500 -0.069 0.000 2.522 408 R HA 0.204 4.544 4.340 -0.000 0.000 0.284 408 R C -2.256 173.977 176.300 -0.113 0.000 1.032 408 R CA -0.912 55.140 56.100 -0.079 0.000 1.049 408 R CB 0.287 30.546 30.300 -0.068 0.000 0.956 408 R HN -0.105 nan 8.270 nan 0.000 0.422 409 P HA -0.107 nan 4.420 nan 0.000 0.262 409 P C -0.130 177.114 177.300 -0.093 0.000 1.182 409 P CA 0.279 63.338 63.100 -0.067 0.000 0.761 409 P CB 0.261 31.929 31.700 -0.052 0.000 0.795 410 F N 4.320 124.136 119.950 -0.223 0.000 2.065 410 F HA -0.184 4.342 4.527 -0.000 0.000 0.298 410 F C 2.190 177.798 175.800 -0.321 0.000 1.112 410 F CA 2.556 60.386 58.000 -0.284 0.000 1.212 410 F CB -0.894 37.990 39.000 -0.194 0.000 0.975 410 F HN 0.394 nan 8.300 nan 0.000 0.476 411 G N -0.686 108.066 108.800 -0.079 0.000 2.653 411 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.212 411 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.212 411 G C 1.371 176.143 174.900 -0.215 0.000 1.138 411 G CA 0.876 45.866 45.100 -0.183 0.000 0.782 411 G HN 0.532 nan 8.290 nan 0.000 0.535 412 D N 0.428 120.705 120.400 -0.204 0.000 2.259 412 D HA 0.080 4.719 4.640 -0.000 0.000 0.216 412 D C 2.615 178.804 176.300 -0.185 0.000 0.961 412 D CA 0.758 54.666 54.000 -0.154 0.000 0.878 412 D CB 0.082 40.822 40.800 -0.101 0.000 1.009 412 D HN 0.195 nan 8.370 nan 0.000 0.490 413 A N 0.433 123.096 122.820 -0.262 0.000 1.898 413 A HA 0.009 4.329 4.320 -0.000 0.000 0.216 413 A C 1.405 178.750 177.584 -0.399 0.000 1.181 413 A CA 0.704 52.593 52.037 -0.246 0.000 0.620 413 A CB -0.170 18.669 19.000 -0.268 0.000 0.819 413 A HN 0.198 nan 8.150 nan 0.000 0.442 414 S N 1.787 117.046 115.700 -0.735 0.000 2.409 414 S HA 0.490 4.960 4.470 -0.000 0.000 0.308 414 S C -0.268 173.942 174.600 -0.650 0.000 1.080 414 S CA -0.585 56.925 58.200 -1.150 0.000 1.081 414 S CB 0.205 62.029 63.200 -2.293 0.000 1.009 414 S HN 0.373 nan 8.310 nan 0.000 0.502 415 R N 2.109 122.456 120.500 -0.256 0.000 2.778 415 R HA 0.532 4.872 4.340 -0.000 0.000 0.277 415 R C -0.621 175.772 176.300 0.154 0.000 0.977 415 R CA -0.667 55.410 56.100 -0.038 0.000 0.950 415 R CB 1.126 31.407 30.300 -0.030 0.000 1.165 415 R HN 0.512 nan 8.270 nan 0.000 0.474 416 M N 3.190 122.865 119.600 0.126 0.000 2.101 416 M HA 0.497 4.977 4.480 -0.000 0.000 0.340 416 M C -0.473 175.907 176.300 0.132 0.000 1.057 416 M CA -0.243 55.157 55.300 0.167 0.000 0.984 416 M CB 1.107 33.804 32.600 0.163 0.000 1.560 416 M HN 0.331 nan 8.290 nan 0.000 0.435 417 I N 5.431 126.096 120.570 0.158 0.000 2.439 417 I HA 0.485 4.655 4.170 -0.000 0.000 0.283 417 I C -1.084 175.127 176.117 0.157 0.000 1.023 417 I CA -0.381 60.995 61.300 0.126 0.000 1.100 417 I CB 1.388 39.451 38.000 0.105 0.000 1.238 417 I HN 0.609 nan 8.210 nan 0.000 0.445 418 L N 6.610 127.905 121.223 0.120 0.000 2.409 418 L HA 0.560 4.900 4.340 -0.000 0.000 0.272 418 L C 0.147 177.118 176.870 0.168 0.000 0.980 418 L CA -0.648 54.278 54.840 0.143 0.000 0.826 418 L CB 1.570 43.572 42.059 -0.095 0.000 1.268 418 L HN 0.652 nan 8.230 nan 0.000 0.407 419 N N 2.285 121.132 118.700 0.244 0.000 1.241 419 N HA -0.284 4.456 4.740 -0.000 0.000 0.135 419 N C 0.472 176.043 175.510 0.102 0.000 0.723 419 N CA 2.051 55.200 53.050 0.166 0.000 0.950 419 N CB -0.580 38.011 38.487 0.174 0.000 1.215 419 N HN 0.987 nan 8.380 nan 0.000 0.520 420 D N 1.247 121.693 120.400 0.076 0.000 2.342 420 D HA 0.173 4.813 4.640 -0.000 0.000 0.221 420 D C 0.014 176.340 176.300 0.044 0.000 1.101 420 D CA 0.104 54.136 54.000 0.052 0.000 0.837 420 D CB -0.228 40.595 40.800 0.039 0.000 0.938 420 D HN 0.217 nan 8.370 nan 0.000 0.508 421 V N 1.645 121.589 119.914 0.050 0.000 2.407 421 V HA 0.314 4.434 4.120 -0.000 0.000 0.278 421 V C -0.047 176.072 176.094 0.041 0.000 1.037 421 V CA -0.757 61.564 62.300 0.036 0.000 0.900 421 V CB 1.149 32.987 31.823 0.025 0.000 0.983 421 V HN 0.177 nan 8.190 nan 0.000 0.459 422 N N 4.465 123.183 118.700 0.030 0.000 2.581 422 N HA 0.462 5.202 4.740 -0.000 0.000 0.279 422 N C -1.154 174.364 175.510 0.013 0.000 1.124 422 N CA -0.200 52.867 53.050 0.029 0.000 0.833 422 N CB 2.006 40.508 38.487 0.024 0.000 1.338 422 N HN 0.538 nan 8.380 nan 0.000 0.533 423 V N 1.335 121.256 119.914 0.013 0.000 2.914 423 V HA 0.816 4.936 4.120 -0.000 0.000 0.314 423 V C -2.565 173.520 176.094 -0.015 0.000 1.084 423 V CA -2.224 60.075 62.300 -0.002 0.000 0.963 423 V CB 1.961 33.783 31.823 -0.002 0.000 1.025 423 V HN 0.382 nan 8.190 nan 0.000 0.432 424 P HA 0.271 nan 4.420 nan 0.000 0.271 424 P C 0.200 177.472 177.300 -0.047 0.000 1.216 424 P CA 0.581 63.650 63.100 -0.051 0.000 0.771 424 P CB 1.029 32.707 31.700 -0.037 0.000 0.864 425 G N 1.722 110.471 108.800 -0.086 0.000 2.476 425 G HA2 0.559 4.519 3.960 -0.000 0.000 0.269 425 G HA3 0.559 4.519 3.960 -0.000 0.000 0.269 425 G C -0.778 174.171 174.900 0.082 0.000 1.195 425 G CA -0.299 44.803 45.100 0.004 0.000 0.843 425 G HN 0.706 nan 8.290 nan 0.000 0.545 426 A N 0.172 123.093 122.820 0.168 0.000 2.569 426 A HA 1.073 5.393 4.320 -0.000 0.000 0.290 426 A C 0.353 178.148 177.584 0.352 0.000 1.136 426 A CA 0.360 52.542 52.037 0.241 0.000 0.710 426 A CB 1.039 20.062 19.000 0.038 0.000 1.303 426 A HN 2.823 nan 8.150 nan 0.000 0.413 427 A N -1.570 121.415 122.820 0.276 0.000 6.624 427 A HA 0.458 4.778 4.320 -0.000 0.000 0.226 427 A C 1.086 178.952 177.584 0.470 0.000 2.318 427 A CA 1.141 53.435 52.037 0.428 0.000 0.686 427 A CB -1.863 17.480 19.000 0.571 0.000 0.893 427 A HN 3.142 nan 8.150 nan 0.000 0.362 428 G N -2.710 106.198 108.800 0.181 0.000 2.565 428 G HA2 0.583 4.543 3.960 -0.000 0.000 0.142 428 G HA3 0.583 4.543 3.960 -0.000 0.000 0.142 428 G C -0.855 173.879 174.900 -0.277 0.000 1.181 428 G CA 0.022 45.074 45.100 -0.080 0.000 1.066 428 G HN 1.513 nan 8.290 nan 0.000 0.530 429 Y N 1.963 122.169 120.300 -0.157 0.000 2.402 429 Y HA 0.376 4.926 4.550 -0.000 0.000 0.333 429 Y C 1.822 177.731 175.900 0.016 0.000 1.076 429 Y CA 0.627 58.716 58.100 -0.018 0.000 1.299 429 Y CB 1.633 40.130 38.460 0.061 0.000 1.197 429 Y HN 0.615 nan 8.280 nan 0.000 0.517 430 G N 2.619 111.521 108.800 0.170 0.000 2.469 430 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.219 430 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.219 430 G C 1.395 176.427 174.900 0.220 0.000 1.150 430 G CA 1.000 46.188 45.100 0.147 0.000 0.763 430 G HN 0.576 nan 8.290 nan 0.000 0.561 431 N N 0.231 119.096 118.700 0.275 0.000 2.520 431 N HA 0.035 4.775 4.740 -0.000 0.000 0.185 431 N C 1.968 177.658 175.510 0.300 0.000 1.068 431 N CA 0.330 53.555 53.050 0.291 0.000 0.911 431 N CB -0.080 38.608 38.487 0.336 0.000 0.961 431 N HN 0.342 nan 8.380 nan 0.000 0.446 432 L N -1.560 119.821 121.223 0.264 0.000 2.509 432 L HA 0.206 4.546 4.340 -0.000 0.000 0.222 432 L C 1.304 178.416 176.870 0.403 0.000 1.123 432 L CA 0.500 55.541 54.840 0.334 0.000 0.856 432 L CB 0.062 42.346 42.059 0.375 0.000 0.985 432 L HN 0.241 nan 8.230 nan 0.000 0.456 433 G N -0.854 108.151 108.800 0.342 0.000 2.227 433 G HA2 -0.221 3.738 3.960 -0.000 0.000 0.168 433 G HA3 -0.221 3.738 3.960 -0.000 0.000 0.168 433 G C 0.316 175.404 174.900 0.314 0.000 1.006 433 G CA 0.052 45.332 45.100 0.300 0.000 0.684 433 G HN 0.162 nan 8.290 nan 0.000 0.489 434 S N 0.275 116.185 115.700 0.349 0.000 2.455 434 S HA 0.498 4.968 4.470 -0.000 0.000 0.278 434 S C 1.171 175.912 174.600 0.236 0.000 1.216 434 S CA 0.081 58.483 58.200 0.337 0.000 1.055 434 S CB 0.192 63.568 63.200 0.293 0.000 0.939 434 S HN 0.579 nan 8.310 nan 0.000 0.494 435 F N 5.683 125.699 119.950 0.110 0.000 2.084 435 F HA 0.152 4.678 4.527 -0.000 0.000 0.296 435 F C 1.482 177.272 175.800 -0.015 0.000 1.111 435 F CA 1.062 59.088 58.000 0.043 0.000 1.224 435 F CB -0.040 38.977 39.000 0.028 0.000 0.991 435 F HN 0.543 nan 8.300 nan 0.000 0.471 436 R N 1.418 121.965 120.500 0.078 0.000 2.370 436 R HA 0.324 4.664 4.340 -0.000 0.000 0.309 436 R C -1.553 174.617 176.300 -0.216 0.000 1.059 436 R CA -0.113 55.934 56.100 -0.089 0.000 0.981 436 R CB 0.449 30.829 30.300 0.133 0.000 0.972 436 R HN 0.046 nan 8.270 nan 0.000 0.437 437 V N 6.587 126.125 119.914 -0.626 0.000 2.417 437 V HA 0.436 4.556 4.120 -0.000 0.000 0.291 437 V C -0.845 174.577 176.094 -1.120 0.000 1.024 437 V CA -0.522 61.338 62.300 -0.733 0.000 0.861 437 V CB 1.352 32.618 31.823 -0.928 0.000 0.985 437 V HN 0.601 nan 8.190 nan 0.000 0.436 438 F N 1.572 121.167 119.950 -0.593 0.000 2.553 438 F HA 0.378 4.905 4.527 -0.000 0.000 0.335 438 F C 0.623 175.697 175.800 -1.211 0.000 1.148 438 F CA -0.564 56.840 58.000 -0.995 0.000 0.963 438 F CB 1.927 40.122 39.000 -1.342 0.000 1.217 438 F HN 0.310 nan 8.300 nan 0.000 0.441 439 T N 2.586 116.705 114.554 -0.724 0.000 3.176 439 T HA 0.081 4.431 4.350 -0.000 0.000 0.301 439 T C -0.325 174.108 174.700 -0.446 0.000 1.115 439 T CA -0.426 61.398 62.100 -0.460 0.000 1.027 439 T CB -0.549 68.296 68.868 -0.039 0.000 1.063 439 T HN 0.323 nan 8.240 nan 0.000 0.669 440 W N 3.022 124.097 121.300 -0.375 0.000 2.223 440 W HA 0.263 4.922 4.660 -0.000 0.000 0.334 440 W C 1.296 177.837 176.519 0.038 0.000 1.334 440 W CA -0.753 56.484 57.345 -0.180 0.000 1.246 440 W CB 0.165 29.497 29.460 -0.214 0.000 1.184 440 W HN 0.558 nan 8.180 nan 0.000 0.563 441 S N 1.727 117.560 115.700 0.221 0.000 2.587 441 S HA 0.030 4.500 4.470 -0.000 0.000 0.260 441 S C 0.084 174.804 174.600 0.201 0.000 1.353 441 S CA -0.888 57.412 58.200 0.166 0.000 0.995 441 S CB 0.531 63.794 63.200 0.104 0.000 0.912 441 S HN 0.436 nan 8.310 nan 0.000 0.568 442 D N 2.824 123.299 120.400 0.126 0.000 2.423 442 D HA 0.231 4.871 4.640 -0.000 0.000 0.238 442 D C -1.935 174.394 176.300 0.048 0.000 1.142 442 D CA -0.720 53.327 54.000 0.078 0.000 0.884 442 D CB 0.005 40.819 40.800 0.024 0.000 1.199 442 D HN 0.440 nan 8.370 nan 0.000 0.438 443 P HA 0.041 nan 4.420 nan 0.000 0.274 443 P C -0.336 176.930 177.300 -0.056 0.000 1.231 443 P CA -0.445 62.626 63.100 -0.049 0.000 0.790 443 P CB 0.700 32.273 31.700 -0.212 0.000 0.951 444 D N 0.129 120.510 120.400 -0.032 0.000 2.393 444 D HA -0.062 4.578 4.640 -0.000 0.000 0.246 444 D C 1.335 177.604 176.300 -0.052 0.000 1.275 444 D CA -0.374 53.608 54.000 -0.030 0.000 0.979 444 D CB -0.069 40.725 40.800 -0.009 0.000 1.101 444 D HN 0.543 nan 8.370 nan 0.000 0.505 445 E N -0.462 119.714 120.200 -0.039 0.000 2.267 445 E HA -0.278 4.072 4.350 -0.000 0.000 0.197 445 E C 0.436 177.011 176.600 -0.042 0.000 0.998 445 E CA 0.905 57.279 56.400 -0.043 0.000 0.830 445 E CB -0.411 29.272 29.700 -0.029 0.000 0.751 445 E HN 0.295 nan 8.360 nan 0.000 0.491 446 N N 0.426 119.106 118.700 -0.032 0.000 2.398 446 N HA 0.062 4.802 4.740 -0.000 0.000 0.188 446 N C 0.948 176.445 175.510 -0.021 0.000 1.122 446 N CA 0.905 53.942 53.050 -0.022 0.000 0.866 446 N CB 0.852 39.332 38.487 -0.012 0.000 0.970 446 N HN 0.454 nan 8.380 nan 0.000 0.462 447 G N -0.125 108.644 108.800 -0.053 0.000 2.155 447 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.257 447 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.257 447 G C 0.002 174.927 174.900 0.042 0.000 0.983 447 G CA 0.380 45.446 45.100 -0.057 0.000 0.676 447 G HN 0.206 nan 8.290 nan 0.000 0.528 448 V N 1.592 121.510 119.914 0.007 0.000 2.546 448 V HA 0.716 4.835 4.120 -0.000 0.000 0.284 448 V C 0.773 176.876 176.094 0.016 0.000 1.050 448 V CA 0.212 62.513 62.300 0.002 0.000 0.981 448 V CB 1.320 33.139 31.823 -0.007 0.000 0.990 448 V HN 0.746 nan 8.190 nan 0.000 0.474 449 R N 1.957 122.461 120.500 0.006 0.000 2.771 449 R HA 0.855 5.195 4.340 -0.000 0.000 0.274 449 R C -0.958 175.431 176.300 0.147 0.000 0.987 449 R CA -0.679 55.465 56.100 0.073 0.000 0.908 449 R CB 2.244 32.612 30.300 0.114 0.000 1.213 449 R HN 0.667 nan 8.270 nan 0.000 0.468 450 T N -1.693 112.993 114.554 0.221 0.000 2.906 450 T HA 0.538 4.888 4.350 -0.000 0.000 0.295 450 T C -2.911 171.805 174.700 0.026 0.000 1.075 450 T CA -2.553 59.682 62.100 0.224 0.000 1.005 450 T CB 2.060 71.002 68.868 0.124 0.000 1.136 450 T HN 0.381 nan 8.240 nan 0.000 0.498 451 P HA 0.165 nan 4.420 nan 0.000 0.271 451 P C 1.347 178.238 177.300 -0.682 0.000 1.233 451 P CA -0.473 62.093 63.100 -0.889 0.000 0.764 451 P CB 0.590 31.288 31.700 -1.670 0.000 0.825 452 V N 0.835 120.519 119.914 -0.384 0.000 3.041 452 V HA 0.060 4.180 4.120 -0.000 0.000 0.260 452 V C 0.667 176.674 176.094 -0.144 0.000 1.105 452 V CA 1.222 63.426 62.300 -0.160 0.000 1.125 452 V CB -0.978 30.834 31.823 -0.019 0.000 0.730 452 V HN 0.648 nan 8.190 nan 0.000 0.479 453 H N -1.428 117.308 119.070 -0.557 0.000 3.043 453 H HA 0.534 5.090 4.556 -0.000 0.000 0.317 453 H C -0.305 174.740 175.328 -0.472 0.000 1.321 453 H CA 0.288 56.153 56.048 -0.305 0.000 1.243 453 H CB 1.476 31.166 29.762 -0.120 0.000 1.924 453 H HN 0.562 nan 8.280 nan 0.000 0.527 454 G N 2.391 110.763 108.800 -0.714 0.000 2.288 454 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.227 454 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.227 454 G C -1.202 173.472 174.900 -0.377 0.000 1.339 454 G CA -0.533 44.131 45.100 -0.726 0.000 1.057 454 G HN 0.516 nan 8.290 nan 0.000 0.470 455 E N 1.363 121.205 120.200 -0.596 0.000 2.820 455 E HA 0.181 4.531 4.350 -0.000 0.000 0.251 455 E C 1.235 177.757 176.600 -0.128 0.000 0.944 455 E CA 1.284 57.492 56.400 -0.321 0.000 0.955 455 E CB 0.766 30.158 29.700 -0.515 0.000 0.904 455 E HN 0.873 nan 8.360 nan 0.000 0.513 456 T N -0.268 114.139 114.554 -0.245 0.000 3.364 456 T HA 0.058 4.407 4.350 -0.000 0.000 0.179 456 T C 0.361 174.831 174.700 -0.383 0.000 0.939 456 T CA -0.627 61.178 62.100 -0.492 0.000 1.094 456 T CB 0.024 68.717 68.868 -0.290 0.000 1.532 456 T HN 0.579 nan 8.240 nan 0.000 0.346 457 W N 3.271 124.246 121.300 -0.543 0.000 2.322 457 W HA 0.591 5.251 4.660 -0.000 0.000 0.307 457 W C -1.920 174.392 176.519 -0.346 0.000 1.220 457 W CA -0.730 56.340 57.345 -0.457 0.000 1.210 457 W CB 1.077 30.155 29.460 -0.638 0.000 1.223 457 W HN 0.246 nan 8.180 nan 0.000 0.511 458 V N 6.144 125.522 119.914 -0.894 0.000 2.525 458 V HA 0.698 4.818 4.120 -0.000 0.000 0.299 458 V C -0.144 175.369 176.094 -0.968 0.000 1.034 458 V CA -0.738 61.123 62.300 -0.732 0.000 0.863 458 V CB 0.752 32.451 31.823 -0.206 0.000 0.999 458 V HN 0.671 nan 8.190 nan 0.000 0.423 459 A N 5.522 127.827 122.820 -0.858 0.000 2.475 459 A HA 1.024 5.344 4.320 -0.000 0.000 0.301 459 A C -1.087 176.307 177.584 -0.317 0.000 1.059 459 A CA -0.672 51.018 52.037 -0.578 0.000 0.710 459 A CB 2.109 20.845 19.000 -0.441 0.000 1.288 459 A HN 0.769 nan 8.150 nan 0.000 0.408 460 M N 1.522 120.966 119.600 -0.260 0.000 2.267 460 M HA 0.532 5.012 4.480 -0.000 0.000 0.289 460 M C -1.603 174.574 176.300 -0.204 0.000 1.043 460 M CA 0.085 55.329 55.300 -0.093 0.000 0.928 460 M CB 2.046 34.633 32.600 -0.021 0.000 1.613 460 M HN 0.536 nan 8.290 nan 0.000 0.450 461 I N 1.646 122.044 120.570 -0.288 0.000 2.498 461 I HA 0.401 4.571 4.170 -0.000 0.000 0.290 461 I C -0.448 175.359 176.117 -0.517 0.000 1.032 461 I CA -0.417 60.525 61.300 -0.596 0.000 1.073 461 I CB 2.059 39.408 38.000 -1.084 0.000 1.251 461 I HN 0.599 nan 8.210 nan 0.000 0.426 462 E N 5.106 125.022 120.200 -0.473 0.000 2.151 462 E HA 0.358 4.708 4.350 -0.000 0.000 0.275 462 E C -0.915 175.433 176.600 -0.420 0.000 0.936 462 E CA -0.533 55.659 56.400 -0.348 0.000 0.777 462 E CB 0.802 30.386 29.700 -0.192 0.000 1.108 462 E HN 0.498 nan 8.360 nan 0.000 0.401 463 F N 3.488 123.369 119.950 -0.116 0.000 2.913 463 F HA 0.072 4.599 4.527 -0.000 0.000 0.306 463 F C 0.934 176.701 175.800 -0.054 0.000 1.205 463 F CA -0.370 57.584 58.000 -0.077 0.000 1.359 463 F CB -0.026 38.923 39.000 -0.085 0.000 1.260 463 F HN 0.280 nan 8.300 nan 0.000 0.545 464 S N -1.382 114.327 115.700 0.014 0.000 2.641 464 S HA 0.407 4.876 4.470 -0.000 0.000 0.261 464 S C 0.252 174.872 174.600 0.032 0.000 1.257 464 S CA -0.694 57.514 58.200 0.015 0.000 0.983 464 S CB 1.055 64.242 63.200 -0.022 0.000 0.990 464 S HN 0.125 nan 8.310 nan 0.000 0.572 465 T N 2.803 117.373 114.554 0.026 0.000 2.912 465 T HA 0.500 4.850 4.350 -0.000 0.000 0.326 465 T C -2.139 172.571 174.700 0.017 0.000 1.080 465 T CA -0.837 61.282 62.100 0.032 0.000 1.000 465 T CB 0.742 69.633 68.868 0.038 0.000 1.008 465 T HN 0.656 nan 8.240 nan 0.000 0.473 466 P HA 0.336 nan 4.420 nan 0.000 0.273 466 P C 0.219 177.514 177.300 -0.010 0.000 1.250 466 P CA -0.610 62.497 63.100 0.013 0.000 0.793 466 P CB 0.416 32.118 31.700 0.003 0.000 1.011 467 V N -1.394 118.511 119.914 -0.014 0.000 3.096 467 V HA 0.323 4.442 4.120 -0.000 0.000 0.306 467 V C 0.334 176.348 176.094 -0.134 0.000 1.088 467 V CA -0.383 61.859 62.300 -0.096 0.000 1.129 467 V CB 0.143 31.887 31.823 -0.132 0.000 1.014 467 V HN 0.589 nan 8.190 nan 0.000 0.486 468 R N 1.964 122.340 120.500 -0.207 0.000 2.502 468 R HA 0.742 5.082 4.340 -0.000 0.000 0.300 468 R C -0.852 175.263 176.300 -0.308 0.000 0.984 468 R CA -0.052 55.920 56.100 -0.213 0.000 0.882 468 R CB 1.774 32.013 30.300 -0.101 0.000 1.180 468 R HN 1.203 nan 8.270 nan 0.000 0.444 469 A N 3.489 126.050 122.820 -0.431 0.000 2.515 469 A HA 0.742 5.062 4.320 -0.000 0.000 0.296 469 A C -1.961 175.259 177.584 -0.607 0.000 1.094 469 A CA -0.525 51.231 52.037 -0.467 0.000 0.718 469 A CB 1.398 20.020 19.000 -0.629 0.000 1.307 469 A HN 0.636 nan 8.150 nan 0.000 0.408 470 Y N -0.546 119.624 120.300 -0.217 0.000 2.524 470 Y HA 0.695 5.245 4.550 -0.000 0.000 0.347 470 Y C 0.643 176.470 175.900 -0.121 0.000 1.005 470 Y CA 0.063 58.094 58.100 -0.116 0.000 1.025 470 Y CB 2.947 41.327 38.460 -0.133 0.000 1.275 470 Y HN 1.164 nan 8.280 nan 0.000 0.460 471 G N 1.689 110.598 108.800 0.183 0.000 2.608 471 G HA2 0.755 4.715 3.960 -0.000 0.000 0.291 471 G HA3 0.755 4.715 3.960 -0.000 0.000 0.291 471 G C -2.324 172.637 174.900 0.102 0.000 1.425 471 G CA -0.861 44.247 45.100 0.013 0.000 0.787 471 G HN 0.525 nan 8.290 nan 0.000 0.484 472 L N -0.378 120.765 121.223 -0.132 0.000 2.465 472 L HA 0.636 4.976 4.340 -0.000 0.000 0.257 472 L C -1.113 175.699 176.870 -0.095 0.000 0.988 472 L CA -0.879 53.871 54.840 -0.150 0.000 0.827 472 L CB 2.690 44.501 42.059 -0.413 0.000 1.397 472 L HN 0.573 nan 8.230 nan 0.000 0.410 473 M N 0.524 120.119 119.600 -0.009 0.000 2.125 473 M HA 0.351 4.831 4.480 -0.000 0.000 0.321 473 M C 0.664 176.786 176.300 -0.297 0.000 0.983 473 M CA 0.169 55.432 55.300 -0.061 0.000 0.934 473 M CB 1.630 34.297 32.600 0.112 0.000 1.542 473 M HN 0.556 nan 8.290 nan 0.000 0.424 474 S N 3.493 118.853 115.700 -0.567 0.000 2.372 474 S HA -0.184 4.286 4.470 -0.000 0.000 0.227 474 S C 0.706 174.894 174.600 -0.686 0.000 1.044 474 S CA 2.107 59.889 58.200 -0.697 0.000 1.050 474 S CB -0.500 62.042 63.200 -1.097 0.000 0.901 474 S HN 0.803 nan 8.310 nan 0.000 0.447 475 Y N 0.672 120.622 120.300 -0.584 0.000 2.708 475 Y HA 0.606 5.156 4.550 -0.000 0.000 0.287 475 Y C 0.877 176.580 175.900 -0.329 0.000 1.145 475 Y CA -1.434 56.319 58.100 -0.578 0.000 1.249 475 Y CB -1.119 37.004 38.460 -0.562 0.000 1.152 475 Y HN 0.219 nan 8.280 nan 0.000 0.532 476 G N 1.453 110.266 108.800 0.021 0.000 2.855 476 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.352 476 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.352 476 G C 0.170 175.201 174.900 0.219 0.000 1.415 476 G CA 0.103 45.269 45.100 0.110 0.000 0.871 476 G HN 0.401 nan 8.290 nan 0.000 0.543 477 N N -0.572 118.239 118.700 0.186 0.000 2.353 477 N HA 0.282 5.022 4.740 -0.000 0.000 0.185 477 N C 0.672 176.363 175.510 0.302 0.000 1.098 477 N CA 1.291 54.453 53.050 0.187 0.000 0.872 477 N CB 0.329 38.822 38.487 0.010 0.000 0.970 477 N HN 0.788 nan 8.380 nan 0.000 0.467 478 S N -1.049 114.818 115.700 0.277 0.000 2.599 478 S HA 0.544 5.014 4.470 -0.000 0.000 0.287 478 S C 0.033 174.757 174.600 0.206 0.000 1.105 478 S CA -0.685 57.648 58.200 0.223 0.000 0.899 478 S CB 1.637 64.965 63.200 0.214 0.000 1.100 478 S HN 0.181 nan 8.310 nan 0.000 0.482 479 R N 0.920 121.457 120.500 0.061 0.000 2.549 479 R HA 0.251 4.591 4.340 -0.000 0.000 0.361 479 R C -0.409 175.815 176.300 -0.127 0.000 0.969 479 R CA -0.237 55.820 56.100 -0.070 0.000 1.158 479 R CB 0.242 30.482 30.300 -0.100 0.000 1.456 479 R HN 0.562 nan 8.270 nan 0.000 0.540 480 Q N 1.744 121.507 119.800 -0.062 0.000 2.364 480 Q HA 0.144 4.484 4.340 -0.000 0.000 0.267 480 Q C -2.304 173.648 176.000 -0.080 0.000 0.999 480 Q CA -1.705 54.057 55.803 -0.067 0.000 0.886 480 Q CB 0.716 29.433 28.738 -0.035 0.000 1.243 480 Q HN 0.064 nan 8.270 nan 0.000 0.415 481 P HA -0.065 nan 4.420 nan 0.000 0.261 481 P C 0.559 177.828 177.300 -0.053 0.000 1.173 481 P CA 1.188 64.239 63.100 -0.081 0.000 0.760 481 P CB 0.244 31.905 31.700 -0.065 0.000 0.783 482 G N 1.567 110.337 108.800 -0.050 0.000 2.159 482 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.256 482 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.256 482 G C 0.492 175.382 174.900 -0.018 0.000 0.977 482 G CA 0.279 45.363 45.100 -0.028 0.000 0.652 482 G HN 0.780 nan 8.290 nan 0.000 0.531 483 T N 0.615 115.163 114.554 -0.011 0.000 2.919 483 T HA 0.451 4.800 4.350 -0.000 0.000 0.302 483 T C 1.979 176.676 174.700 -0.006 0.000 1.031 483 T CA 1.307 63.415 62.100 0.013 0.000 1.127 483 T CB 0.705 69.617 68.868 0.073 0.000 0.952 483 T HN 0.907 nan 8.240 nan 0.000 0.540 484 T N 1.411 115.893 114.554 -0.120 0.000 3.148 484 T HA 0.098 4.448 4.350 -0.000 0.000 0.253 484 T C 0.708 175.250 174.700 -0.264 0.000 1.134 484 T CA 0.555 62.526 62.100 -0.214 0.000 1.051 484 T CB -0.451 68.219 68.868 -0.330 0.000 0.959 484 T HN 0.824 nan 8.240 nan 0.000 0.525 485 H N -0.693 118.443 119.070 0.111 0.000 2.490 485 H HA 0.353 4.909 4.556 -0.000 0.000 0.285 485 H C 0.318 175.754 175.328 0.178 0.000 1.127 485 H CA -0.598 55.521 56.048 0.118 0.000 0.993 485 H CB 0.219 30.043 29.762 0.104 0.000 1.653 485 H HN 0.311 nan 8.280 nan 0.000 0.557 486 Y N 0.814 121.181 120.300 0.111 0.000 2.382 486 Y HA 0.010 4.559 4.550 -0.000 0.000 0.292 486 Y C 1.993 177.940 175.900 0.079 0.000 1.151 486 Y CA 1.097 59.250 58.100 0.088 0.000 1.198 486 Y CB 0.454 38.946 38.460 0.052 0.000 1.195 486 Y HN 0.173 nan 8.280 nan 0.000 0.530 487 S N -0.537 115.171 115.700 0.013 0.000 2.557 487 S HA 0.042 4.512 4.470 -0.000 0.000 0.223 487 S C 0.796 175.380 174.600 -0.026 0.000 0.969 487 S CA 0.191 58.344 58.200 -0.079 0.000 0.927 487 S CB -0.343 62.875 63.200 0.030 0.000 0.806 487 S HN 0.593 nan 8.310 nan 0.000 0.489 488 D N 1.242 121.654 120.400 0.019 0.000 2.352 488 D HA -0.021 4.619 4.640 -0.000 0.000 0.232 488 D C 1.200 177.509 176.300 0.015 0.000 1.055 488 D CA 0.314 54.337 54.000 0.037 0.000 0.891 488 D CB -0.138 40.718 40.800 0.094 0.000 0.897 488 D HN 0.534 nan 8.370 nan 0.000 0.529 489 Q N -0.946 118.836 119.800 -0.030 0.000 2.288 489 Q HA 0.192 4.532 4.340 -0.000 0.000 0.256 489 Q C 1.587 177.530 176.000 -0.096 0.000 0.835 489 Q CA -0.366 55.402 55.803 -0.059 0.000 0.958 489 Q CB 0.449 29.147 28.738 -0.066 0.000 1.125 489 Q HN 0.088 nan 8.270 nan 0.000 0.513 490 I N 2.132 122.641 120.570 -0.101 0.000 2.335 490 I HA -0.258 3.912 4.170 -0.000 0.000 0.251 490 I C 2.305 178.390 176.117 -0.052 0.000 1.129 490 I CA 1.494 62.744 61.300 -0.084 0.000 1.402 490 I CB 0.005 37.965 38.000 -0.067 0.000 1.069 490 I HN 0.175 nan 8.210 nan 0.000 0.424 491 E N 0.798 120.973 120.200 -0.041 0.000 2.077 491 E HA -0.232 4.117 4.350 -0.000 0.000 0.193 491 E C 2.372 178.942 176.600 -0.049 0.000 0.989 491 E CA 1.262 57.643 56.400 -0.031 0.000 0.800 491 E CB -0.103 29.587 29.700 -0.017 0.000 0.746 491 E HN 0.495 nan 8.360 nan 0.000 0.452 492 R N -0.057 120.402 120.500 -0.069 0.000 2.120 492 R HA -0.078 4.262 4.340 -0.000 0.000 0.234 492 R C 2.521 178.723 176.300 -0.163 0.000 1.123 492 R CA 1.161 57.199 56.100 -0.103 0.000 0.975 492 R CB -0.209 30.024 30.300 -0.111 0.000 0.866 492 R HN 0.071 nan 8.270 nan 0.000 0.446 493 V N 1.127 120.944 119.914 -0.162 0.000 2.343 493 V HA -0.261 3.858 4.120 -0.000 0.000 0.247 493 V C 2.487 178.536 176.094 -0.075 0.000 1.051 493 V CA 2.169 64.375 62.300 -0.157 0.000 1.036 493 V CB -0.524 31.248 31.823 -0.084 0.000 0.654 493 V HN 0.469 nan 8.190 nan 0.000 0.451 494 S N 0.730 116.396 115.700 -0.057 0.000 2.399 494 S HA -0.201 4.269 4.470 -0.000 0.000 0.231 494 S C 1.889 176.479 174.600 -0.016 0.000 1.022 494 S CA 1.291 59.467 58.200 -0.039 0.000 0.983 494 S CB -0.406 62.775 63.200 -0.031 0.000 0.803 494 S HN 0.648 nan 8.310 nan 0.000 0.480 495 R N 0.901 121.386 120.500 -0.025 0.000 2.334 495 R HA 0.508 4.848 4.340 -0.000 0.000 0.216 495 R C 0.860 177.165 176.300 0.009 0.000 0.905 495 R CA 0.399 56.497 56.100 -0.002 0.000 1.064 495 R CB -0.051 30.245 30.300 -0.005 0.000 1.046 495 R HN 0.470 nan 8.270 nan 0.000 0.508 496 A N 2.241 125.043 122.820 -0.030 0.000 2.791 496 A HA -0.196 4.124 4.320 -0.000 0.000 0.292 496 A C -0.305 177.282 177.584 0.004 0.000 1.487 496 A CA 1.020 53.048 52.037 -0.015 0.000 0.760 496 A CB -1.684 17.433 19.000 0.196 0.000 1.031 496 A HN 0.384 nan 8.150 nan 0.000 0.503 497 D N -0.159 120.169 120.400 -0.120 0.000 2.500 497 D HA 0.535 5.175 4.640 -0.000 0.000 0.219 497 D C -0.227 176.027 176.300 -0.078 0.000 1.137 497 D CA -0.184 53.797 54.000 -0.032 0.000 0.946 497 D CB -0.366 40.421 40.800 -0.022 0.000 1.022 497 D HN 0.239 nan 8.370 nan 0.000 0.518 498 F N 2.083 122.035 119.950 0.003 0.000 2.443 498 F HA 0.294 4.821 4.527 -0.000 0.000 0.353 498 F C 1.650 177.536 175.800 0.143 0.000 1.101 498 F CA -0.336 57.693 58.000 0.048 0.000 1.226 498 F CB 0.754 39.775 39.000 0.035 0.000 1.140 498 F HN -0.040 nan 8.300 nan 0.000 0.557 499 R N 1.997 122.640 120.500 0.239 0.000 2.491 499 R HA 0.068 4.407 4.340 -0.000 0.000 0.283 499 R C 0.012 176.425 176.300 0.188 0.000 1.072 499 R CA -0.407 55.806 56.100 0.188 0.000 1.048 499 R CB 0.427 30.797 30.300 0.118 0.000 0.983 499 R HN 0.636 nan 8.270 nan 0.000 0.450 500 E N 3.648 123.882 120.200 0.056 0.000 2.366 500 E HA 0.005 4.355 4.350 -0.000 0.000 0.266 500 E C -0.634 175.828 176.600 -0.231 0.000 1.015 500 E CA -0.247 55.949 56.400 -0.342 0.000 0.906 500 E CB 0.564 30.103 29.700 -0.269 0.000 0.979 500 E HN 0.347 nan 8.360 nan 0.000 0.443 501 L N 5.764 126.793 121.223 -0.324 0.000 2.331 501 L HA 0.234 4.574 4.340 -0.000 0.000 0.278 501 L C -0.224 176.440 176.870 -0.343 0.000 1.106 501 L CA -0.451 54.218 54.840 -0.285 0.000 0.824 501 L CB 0.452 42.309 42.059 -0.336 0.000 1.142 501 L HN 0.469 nan 8.230 nan 0.000 0.443 502 L N 4.907 125.971 121.223 -0.265 0.000 2.276 502 L HA 0.230 4.570 4.340 -0.000 0.000 0.286 502 L C 0.348 177.088 176.870 -0.216 0.000 1.024 502 L CA -0.286 54.455 54.840 -0.166 0.000 0.826 502 L CB 1.394 43.431 42.059 -0.037 0.000 1.211 502 L HN 0.594 nan 8.230 nan 0.000 0.422 503 L N 2.157 123.248 121.223 -0.221 0.000 2.500 503 L HA 0.276 4.616 4.340 -0.000 0.000 0.219 503 L C 1.129 178.028 176.870 0.049 0.000 1.057 503 L CA 0.491 55.197 54.840 -0.222 0.000 0.854 503 L CB 0.012 41.954 42.059 -0.194 0.000 1.078 503 L HN 0.445 nan 8.230 nan 0.000 0.480 504 R N -0.030 120.483 120.500 0.022 0.000 2.543 504 R HA 0.089 4.429 4.340 -0.000 0.000 0.277 504 R C 1.007 177.351 176.300 0.074 0.000 1.074 504 R CA -0.367 55.765 56.100 0.053 0.000 1.076 504 R CB 0.878 31.192 30.300 0.022 0.000 0.993 504 R HN -0.091 nan 8.270 nan 0.000 0.459 505 R N 3.004 123.549 120.500 0.075 0.000 2.096 505 R HA -0.226 4.114 4.340 -0.000 0.000 0.240 505 R C 1.870 178.199 176.300 0.049 0.000 1.139 505 R CA 2.448 58.587 56.100 0.066 0.000 0.952 505 R CB -0.323 30.004 30.300 0.044 0.000 0.854 505 R HN 0.838 nan 8.270 nan 0.000 0.436 506 E N 0.255 120.476 120.200 0.036 0.000 2.097 506 E HA -0.314 4.036 4.350 -0.000 0.000 0.196 506 E C 1.834 178.450 176.600 0.028 0.000 1.000 506 E CA 1.701 58.117 56.400 0.027 0.000 0.804 506 E CB -0.465 29.247 29.700 0.021 0.000 0.740 506 E HN 0.596 nan 8.360 nan 0.000 0.454 507 Q N 0.699 120.514 119.800 0.026 0.000 2.046 507 Q HA -0.090 4.250 4.340 -0.000 0.000 0.200 507 Q C 2.583 178.605 176.000 0.036 0.000 0.975 507 Q CA 1.716 57.532 55.803 0.021 0.000 0.836 507 Q CB -0.065 28.674 28.738 0.001 0.000 0.896 507 Q HN 0.194 nan 8.270 nan 0.000 0.428 508 V N 1.479 121.427 119.914 0.057 0.000 2.332 508 V HA -0.279 3.841 4.120 -0.000 0.000 0.248 508 V C 1.971 178.100 176.094 0.058 0.000 1.055 508 V CA 2.022 64.368 62.300 0.077 0.000 1.038 508 V CB -0.561 31.333 31.823 0.120 0.000 0.651 508 V HN 0.358 nan 8.190 nan 0.000 0.450 509 E N 0.254 120.482 120.200 0.048 0.000 2.077 509 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 509 E C 2.338 178.958 176.600 0.034 0.000 0.989 509 E CA 1.278 57.701 56.400 0.037 0.000 0.800 509 E CB -0.354 29.365 29.700 0.030 0.000 0.746 509 E HN 0.595 nan 8.360 nan 0.000 0.452 510 A N 1.079 123.918 122.820 0.031 0.000 2.019 510 A HA -0.078 4.242 4.320 -0.000 0.000 0.219 510 A C 2.184 179.787 177.584 0.032 0.000 1.164 510 A CA 1.661 53.715 52.037 0.028 0.000 0.644 510 A CB -0.270 18.745 19.000 0.024 0.000 0.805 510 A HN 0.271 nan 8.150 nan 0.000 0.449 511 A N -1.081 121.762 122.820 0.037 0.000 2.348 511 A HA 0.458 4.778 4.320 -0.000 0.000 0.224 511 A C 0.854 178.465 177.584 0.045 0.000 1.227 511 A CA 0.295 52.357 52.037 0.041 0.000 0.885 511 A CB -0.402 18.624 19.000 0.042 0.000 0.933 511 A HN 0.580 nan 8.150 nan 0.000 0.506 512 V N 0.619 120.560 119.914 0.045 0.000 2.585 512 V HA 0.076 4.196 4.120 -0.000 0.000 0.296 512 V C 0.667 176.790 176.094 0.047 0.000 1.035 512 V CA 0.448 62.776 62.300 0.046 0.000 1.084 512 V CB 1.018 32.868 31.823 0.045 0.000 0.953 512 V HN 0.576 nan 8.190 nan 0.000 0.483 513 Q N 4.118 123.949 119.800 0.052 0.000 2.280 513 Q HA 0.341 4.680 4.340 -0.000 0.000 0.244 513 Q C 0.201 176.237 176.000 0.060 0.000 0.847 513 Q CA 0.299 56.138 55.803 0.059 0.000 0.945 513 Q CB 1.068 29.852 28.738 0.076 0.000 1.115 513 Q HN 0.908 nan 8.270 nan 0.000 0.513 514 E N 0.368 120.603 120.200 0.058 0.000 2.321 514 E HA 0.342 4.692 4.350 -0.000 0.000 0.281 514 E C -1.190 175.444 176.600 0.056 0.000 0.910 514 E CA -0.326 56.109 56.400 0.058 0.000 0.770 514 E CB 1.555 31.296 29.700 0.068 0.000 1.225 514 E HN -0.092 nan 8.360 nan 0.000 0.417 515 R N 2.289 122.821 120.500 0.054 0.000 2.387 515 R HA 0.430 4.770 4.340 -0.000 0.000 0.314 515 R C -0.981 175.361 176.300 0.070 0.000 0.958 515 R CA -0.723 55.412 56.100 0.058 0.000 0.846 515 R CB 2.006 32.332 30.300 0.044 0.000 1.147 515 R HN 0.361 nan 8.270 nan 0.000 0.447 516 T N 4.764 119.377 114.554 0.097 0.000 3.053 516 T HA 0.242 4.592 4.350 -0.000 0.000 0.363 516 T C -1.967 172.845 174.700 0.186 0.000 1.239 516 T CA -1.347 60.829 62.100 0.127 0.000 1.071 516 T CB 0.925 69.870 68.868 0.129 0.000 1.089 516 T HN 0.398 nan 8.240 nan 0.000 0.527 517 P HA 0.398 nan 4.420 nan 0.000 0.271 517 P C -0.782 176.609 177.300 0.152 0.000 1.216 517 P CA -0.380 62.750 63.100 0.050 0.000 0.776 517 P CB 0.462 32.166 31.700 0.006 0.000 0.881 518 F N -0.450 119.513 119.950 0.021 0.000 2.675 518 F HA 0.671 5.198 4.527 -0.000 0.000 0.324 518 F C -0.972 174.856 175.800 0.046 0.000 1.106 518 F CA -1.120 56.900 58.000 0.033 0.000 0.970 518 F CB 1.891 40.910 39.000 0.032 0.000 1.385 518 F HN 0.405 nan 8.300 nan 0.000 0.489 519 N N 0.845 119.702 118.700 0.263 0.000 2.406 519 N HA 0.289 5.029 4.740 -0.000 0.000 0.283 519 N C -2.494 173.207 175.510 0.319 0.000 1.074 519 N CA -0.388 52.768 53.050 0.177 0.000 0.916 519 N CB 2.518 41.028 38.487 0.038 0.000 1.639 519 N HN 0.884 nan 8.380 nan 0.000 0.485 520 F N 2.060 122.103 119.950 0.156 0.000 2.444 520 F HA 0.539 5.066 4.527 -0.000 0.000 0.342 520 F C -0.775 175.064 175.800 0.065 0.000 1.121 520 F CA -0.493 57.580 58.000 0.123 0.000 0.997 520 F CB 1.284 40.374 39.000 0.150 0.000 1.130 520 F HN 0.379 nan 8.300 nan 0.000 0.454 521 K N 7.020 127.075 120.400 -0.575 0.000 2.507 521 K HA 0.409 4.729 4.320 -0.000 0.000 0.252 521 K C -2.281 173.831 176.600 -0.813 0.000 0.943 521 K CA -1.709 54.188 56.287 -0.651 0.000 0.808 521 K CB 1.812 34.153 32.500 -0.266 0.000 1.142 521 K HN 0.476 nan 8.250 nan 0.000 0.426 522 P HA 0.000 nan 4.420 nan 0.000 0.216 522 P CA 0.000 62.836 63.100 -0.441 0.000 0.800 522 P CB 0.000 31.562 31.700 -0.230 0.000 0.726