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 2xqr_1_I DATA FIRST_RESID 5 DATA SEQUENCE NQPYRTGFHF QPPKNWMNDP NGPMIYKGIY HLFYQWNPKG AVWGNIVWAH DATA SEQUENCE STSTDLINWD PHPPAIFPSA PFDINGCWSG SATILPNGKP VILYTGIDPK DATA SEQUENCE NQQVQNIAEP KNLSDPYLRE WKKSPLNPLM APDAVNGINA SSFRDPTTAW DATA SEQUENCE LGQDKKWRVI IGSKIHRRGL AITYTSKDFL KWEKSPEPLH YDDGSGMWEC DATA SEQUENCE PDFFPVTRFG SNGVETSSFG EPNEILKHVL KISLDDTKHD YYTIGTYDRV DATA SEQUENCE KDKFVPDNGF KMDGTAPRYD YGKYYASKTF FDSAKNRRIL WGWTNESSSV DATA SEQUENCE EDDVEKGWSG IQTIPRKIWL DRSGKQLIQW PVREVERLRT KQVKNLRNKV DATA SEQUENCE LKSGSRLEVY GVTAAQADVE VLFKVRDLEK ADVIEPSWTD PQLIcSKMNV DATA SEQUENCE SVKSGLGPFG LMVLASKNLE EYTSVYFRIF KARQNSNKYV VLMcSDQSRS DATA SEQUENCE SLKEDNDKTT YGAFVDINPH QPLSLRALID HSVVESFGGK GRACITSRVY DATA SEQUENCE PKLAIGKSSH LFAFNYGYQS VDVLNLNAWS MNSAQIS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 N HA 0.000 nan 4.740 nan 0.000 0.220 5 N C 0.000 175.498 175.510 -0.021 0.000 1.280 5 N CA 0.000 53.037 53.050 -0.022 0.000 0.885 5 N CB 0.000 38.480 38.487 -0.012 0.000 1.341 6 Q N 1.321 121.100 119.800 -0.035 0.000 2.851 6 Q HA 0.406 4.746 4.340 0.000 0.000 0.331 6 Q C -2.017 173.923 176.000 -0.101 0.000 0.979 6 Q CA -1.358 54.448 55.803 0.004 0.000 0.955 6 Q CB 1.623 30.391 28.738 0.049 0.000 1.298 6 Q HN 0.490 nan 8.270 nan 0.000 0.432 7 P HA -0.108 nan 4.420 nan 0.000 0.226 7 P C 0.343 177.493 177.300 -0.250 0.000 1.153 7 P CA 1.116 64.004 63.100 -0.352 0.000 0.777 7 P CB 0.222 31.593 31.700 -0.547 0.000 0.794 8 Y N -0.572 119.846 120.300 0.198 0.000 2.458 8 Y HA 0.262 4.812 4.550 0.000 0.000 0.256 8 Y C 1.376 177.490 175.900 0.357 0.000 1.159 8 Y CA -0.871 57.418 58.100 0.315 0.000 1.261 8 Y CB -0.422 38.319 38.460 0.469 0.000 1.119 8 Y HN -0.201 nan 8.280 nan 0.000 0.524 9 R N 1.145 121.791 120.500 0.244 0.000 2.491 9 R HA 0.202 4.542 4.340 0.000 0.000 0.283 9 R C 0.614 176.815 176.300 -0.165 0.000 1.072 9 R CA 0.093 56.105 56.100 -0.148 0.000 1.048 9 R CB 0.478 30.588 30.300 -0.316 0.000 0.983 9 R HN 0.166 nan 8.270 nan 0.000 0.450 10 T N -0.902 113.559 114.554 -0.155 0.000 2.910 10 T HA 0.208 4.558 4.350 0.000 0.000 0.293 10 T C 1.294 176.002 174.700 0.013 0.000 1.015 10 T CA -0.554 61.536 62.100 -0.016 0.000 1.094 10 T CB 1.764 70.575 68.868 -0.095 0.000 0.968 10 T HN 0.630 nan 8.240 nan 0.000 0.521 11 G N 0.622 109.539 108.800 0.195 0.000 2.494 11 G HA2 0.161 4.121 3.960 0.000 0.000 0.216 11 G HA3 0.161 4.121 3.960 0.000 0.000 0.216 11 G C 0.588 175.671 174.900 0.305 0.000 1.140 11 G CA 0.262 45.519 45.100 0.261 0.000 0.801 11 G HN 0.943 nan 8.290 nan 0.000 0.536 12 F N -1.946 118.095 119.950 0.152 0.000 2.960 12 F HA 0.512 5.039 4.527 0.000 0.000 0.345 12 F C -0.062 175.772 175.800 0.057 0.000 1.147 12 F CA -1.282 56.769 58.000 0.085 0.000 1.099 12 F CB -0.153 38.864 39.000 0.029 0.000 1.219 12 F HN -0.120 nan 8.300 nan 0.000 0.525 13 H N 1.176 120.117 119.070 -0.214 0.000 2.482 13 H HA 0.352 4.909 4.556 0.000 0.000 0.344 13 H C -0.854 174.476 175.328 0.004 0.000 1.151 13 H CA -0.743 55.259 56.048 -0.077 0.000 1.300 13 H CB 1.023 30.688 29.762 -0.161 0.000 1.494 13 H HN 0.212 nan 8.280 nan 0.000 0.542 14 F N 3.310 123.290 119.950 0.050 0.000 2.504 14 F HA 0.173 4.700 4.527 0.000 0.000 0.369 14 F C -0.061 175.607 175.800 -0.220 0.000 1.082 14 F CA 0.114 58.027 58.000 -0.144 0.000 1.216 14 F CB 0.066 38.880 39.000 -0.310 0.000 1.108 14 F HN 0.555 nan 8.300 nan 0.000 0.554 15 Q N 6.750 125.996 119.800 -0.923 0.000 2.527 15 Q HA 0.486 4.826 4.340 0.000 0.000 0.280 15 Q C -3.206 172.272 176.000 -0.870 0.000 0.977 15 Q CA -2.155 53.209 55.803 -0.731 0.000 0.837 15 Q CB 2.037 30.523 28.738 -0.418 0.000 1.454 15 Q HN 0.281 nan 8.270 nan 0.000 0.387 16 P HA 0.230 nan 4.420 nan 0.000 0.274 16 P C -2.081 175.059 177.300 -0.268 0.000 1.246 16 P CA -1.226 61.628 63.100 -0.409 0.000 0.795 16 P CB 0.177 31.780 31.700 -0.162 0.000 1.006 17 P HA -0.142 nan 4.420 nan 0.000 0.216 17 P C 0.197 177.476 177.300 -0.035 0.000 1.150 17 P CA 2.113 65.138 63.100 -0.126 0.000 0.843 17 P CB 0.033 31.694 31.700 -0.065 0.000 0.787 18 K N -4.384 116.098 120.400 0.136 0.000 2.571 18 K HA 0.460 4.780 4.320 0.000 0.000 0.289 18 K C -0.931 175.935 176.600 0.445 0.000 1.028 18 K CA -1.014 55.435 56.287 0.269 0.000 0.895 18 K CB 0.918 33.562 32.500 0.240 0.000 1.534 18 K HN -0.311 nan 8.250 nan 0.000 0.421 19 N N -1.142 117.800 118.700 0.404 0.000 6.584 19 N HA -0.215 4.525 4.740 0.000 0.000 0.411 19 N C -1.461 174.289 175.510 0.400 0.000 0.981 19 N CA 0.648 53.887 53.050 0.315 0.000 1.762 19 N CB -0.479 38.058 38.487 0.083 0.000 0.760 19 N HN 0.741 nan 8.380 nan 0.000 0.447 20 W N 2.002 123.347 121.300 0.075 0.000 2.238 20 W HA 0.514 5.174 4.660 0.000 0.000 0.321 20 W C -0.378 176.266 176.519 0.208 0.000 1.293 20 W CA -0.201 57.216 57.345 0.120 0.000 1.204 20 W CB 0.282 29.750 29.460 0.015 0.000 1.167 20 W HN 0.578 nan 8.180 nan 0.000 0.553 21 M N 8.081 127.416 119.600 -0.440 0.000 2.393 21 M HA 0.192 4.672 4.480 0.000 0.000 0.299 21 M C -0.451 175.236 176.300 -1.021 0.000 1.103 21 M CA -0.483 54.615 55.300 -0.335 0.000 0.910 21 M CB 1.473 34.069 32.600 -0.006 0.000 1.659 21 M HN 0.631 nan 8.290 nan 0.000 0.445 22 N N 2.065 120.226 118.700 -0.899 0.000 2.014 22 N HA 0.279 5.019 4.740 0.000 0.000 0.135 22 N C -1.025 173.854 175.510 -1.052 0.000 1.468 22 N CA -0.305 51.657 53.050 -1.814 0.000 1.088 22 N CB -0.459 36.986 38.487 -1.737 0.000 1.197 22 N HN 0.507 nan 8.380 nan 0.000 0.312 23 D N 2.912 122.926 120.400 -0.642 0.000 2.472 23 D HA 0.191 4.831 4.640 0.000 0.000 0.237 23 D C -2.065 174.097 176.300 -0.230 0.000 1.141 23 D CA -0.426 53.425 54.000 -0.249 0.000 0.875 23 D CB 0.045 40.766 40.800 -0.131 0.000 1.192 23 D HN 0.301 nan 8.370 nan 0.000 0.450 24 P HA 0.135 nan 4.420 nan 0.000 0.276 24 P C -0.917 176.197 177.300 -0.311 0.000 1.230 24 P CA -0.312 62.608 63.100 -0.300 0.000 0.776 24 P CB 0.722 32.263 31.700 -0.266 0.000 0.888 25 N N 0.622 119.052 118.700 -0.450 0.000 2.269 25 N HA 0.456 5.197 4.740 0.000 0.000 0.304 25 N C 0.273 175.608 175.510 -0.292 0.000 1.072 25 N CA -0.781 51.903 53.050 -0.610 0.000 0.802 25 N CB 1.239 38.758 38.487 -1.612 0.000 1.348 25 N HN 0.562 nan 8.380 nan 0.000 0.484 26 G N 1.983 110.735 108.800 -0.079 0.000 2.390 26 G HA2 -0.204 3.756 3.960 0.000 0.000 0.299 26 G HA3 -0.204 3.756 3.960 0.000 0.000 0.299 26 G C -2.397 172.631 174.900 0.213 0.000 1.002 26 G CA -0.517 44.681 45.100 0.163 0.000 0.979 26 G HN 0.445 nan 8.290 nan 0.000 0.513 27 P HA 0.364 nan 4.420 nan 0.000 0.267 27 P C 0.297 177.422 177.300 -0.290 0.000 1.205 27 P CA 0.391 63.402 63.100 -0.148 0.000 0.765 27 P CB 0.877 32.564 31.700 -0.022 0.000 0.828 28 M N 2.080 121.444 119.600 -0.393 0.000 2.643 28 M HA 0.567 5.047 4.480 0.000 0.000 0.276 28 M C -1.780 174.594 176.300 0.123 0.000 1.200 28 M CA -1.309 53.942 55.300 -0.082 0.000 0.863 28 M CB 1.829 34.547 32.600 0.197 0.000 1.711 28 M HN 0.048 nan 8.290 nan 0.000 0.492 29 I N 2.136 122.920 120.570 0.356 0.000 2.404 29 I HA 0.723 4.893 4.170 0.000 0.000 0.293 29 I C -2.113 174.227 176.117 0.372 0.000 0.992 29 I CA -0.420 61.085 61.300 0.343 0.000 1.149 29 I CB 1.562 39.752 38.000 0.317 0.000 1.315 29 I HN 0.680 nan 8.210 nan 0.000 0.446 30 Y N 6.653 127.060 120.300 0.179 0.000 2.401 30 Y HA 0.368 4.918 4.550 0.000 0.000 0.330 30 Y C -0.102 175.839 175.900 0.068 0.000 1.071 30 Y CA -1.222 56.957 58.100 0.131 0.000 1.049 30 Y CB 1.358 39.901 38.460 0.140 0.000 1.239 30 Y HN 0.683 nan 8.280 nan 0.000 0.437 31 K N 4.638 124.720 120.400 -0.530 0.000 3.177 31 K HA -0.236 4.084 4.320 0.000 0.000 0.266 31 K C 0.899 177.354 176.600 -0.241 0.000 0.937 31 K CA 1.161 57.181 56.287 -0.444 0.000 0.702 31 K CB -1.599 30.552 32.500 -0.580 0.000 1.365 31 K HN 1.437 nan 8.250 nan 0.000 0.466 32 G N -0.256 108.428 108.800 -0.194 0.000 2.168 32 G HA2 -0.314 3.646 3.960 0.000 0.000 0.263 32 G HA3 -0.314 3.646 3.960 0.000 0.000 0.263 32 G C 0.208 174.938 174.900 -0.284 0.000 0.977 32 G CA 0.620 45.589 45.100 -0.219 0.000 0.659 32 G HN 0.473 nan 8.290 nan 0.000 0.533 33 I N 0.251 120.692 120.570 -0.214 0.000 2.404 33 I HA 0.443 4.613 4.170 0.000 0.000 0.293 33 I C -0.053 175.971 176.117 -0.154 0.000 0.992 33 I CA -1.296 59.887 61.300 -0.195 0.000 1.149 33 I CB 1.208 39.143 38.000 -0.108 0.000 1.315 33 I HN -0.016 nan 8.210 nan 0.000 0.446 34 Y N 4.736 125.046 120.300 0.016 0.000 2.304 34 Y HA 0.319 4.869 4.550 0.000 0.000 0.328 34 Y C 0.453 176.375 175.900 0.038 0.000 1.123 34 Y CA -0.151 58.014 58.100 0.108 0.000 1.218 34 Y CB 0.462 39.007 38.460 0.141 0.000 1.207 34 Y HN 0.391 nan 8.280 nan 0.000 0.495 35 H N 3.388 122.659 119.070 0.335 0.000 2.524 35 H HA 0.463 5.019 4.556 0.000 0.000 0.353 35 H C -1.360 173.958 175.328 -0.017 0.000 1.136 35 H CA -0.925 55.248 56.048 0.208 0.000 1.193 35 H CB 2.651 32.484 29.762 0.118 0.000 1.558 35 H HN 0.450 nan 8.280 nan 0.000 0.515 36 L N 3.619 124.750 121.223 -0.153 0.000 2.376 36 L HA 0.385 4.725 4.340 0.000 0.000 0.275 36 L C -1.557 174.976 176.870 -0.562 0.000 0.987 36 L CA -0.372 54.091 54.840 -0.628 0.000 0.828 36 L CB 0.603 41.810 42.059 -1.420 0.000 1.249 36 L HN 0.334 nan 8.230 nan 0.000 0.409 37 F N 4.660 124.453 119.950 -0.262 0.000 2.450 37 F HA 0.728 5.255 4.527 0.000 0.000 0.328 37 F C -0.525 175.036 175.800 -0.397 0.000 1.068 37 F CA -0.318 57.508 58.000 -0.290 0.000 1.007 37 F CB 1.379 40.177 39.000 -0.336 0.000 1.251 37 F HN 0.485 nan 8.300 nan 0.000 0.492 38 Y N -1.767 118.340 120.300 -0.322 0.000 2.565 38 Y HA 0.375 4.925 4.550 0.000 0.000 0.330 38 Y C -1.306 174.436 175.900 -0.263 0.000 1.150 38 Y CA -1.769 56.096 58.100 -0.391 0.000 1.055 38 Y CB 0.565 38.829 38.460 -0.328 0.000 1.337 38 Y HN 0.421 nan 8.280 nan 0.000 0.457 39 Q N 2.068 121.764 119.800 -0.174 0.000 2.255 39 Q HA 0.036 4.376 4.340 0.000 0.000 0.280 39 Q C -1.513 174.611 176.000 0.207 0.000 1.068 39 Q CA 0.827 56.597 55.803 -0.054 0.000 0.911 39 Q CB 1.022 29.718 28.738 -0.070 0.000 1.157 39 Q HN 0.877 nan 8.270 nan 0.000 0.380 40 W N 3.993 125.291 121.300 -0.004 0.000 2.957 40 W HA 0.243 4.903 4.660 0.000 0.000 0.336 40 W C -0.912 175.656 176.519 0.082 0.000 1.087 40 W CA -0.900 56.499 57.345 0.090 0.000 1.235 40 W CB 1.193 30.641 29.460 -0.020 0.000 1.399 40 W HN 0.400 nan 8.180 nan 0.000 0.480 41 N N 6.380 124.883 118.700 -0.328 0.000 2.414 41 N HA 0.291 5.031 4.740 0.000 0.000 0.256 41 N C -1.944 172.859 175.510 -1.179 0.000 1.029 41 N CA -1.867 50.856 53.050 -0.545 0.000 0.948 41 N CB 2.151 40.440 38.487 -0.330 0.000 1.102 41 N HN 0.125 nan 8.380 nan 0.000 0.496 42 P HA 0.012 nan 4.420 nan 0.000 0.237 42 P C -0.283 176.649 177.300 -0.614 0.000 1.178 42 P CA 1.011 63.356 63.100 -1.259 0.000 0.766 42 P CB 0.102 31.485 31.700 -0.528 0.000 0.876 43 K N -1.613 118.529 120.400 -0.429 0.000 3.099 43 K HA 0.601 4.921 4.320 0.000 0.000 0.197 43 K C -0.115 176.380 176.600 -0.175 0.000 1.114 43 K CA -0.534 55.615 56.287 -0.230 0.000 1.024 43 K CB 0.387 32.784 32.500 -0.171 0.000 0.711 43 K HN -0.026 nan 8.250 nan 0.000 0.432 44 G N -0.334 108.362 108.800 -0.173 0.000 2.466 44 G HA2 0.454 4.414 3.960 0.000 0.000 0.291 44 G HA3 0.454 4.414 3.960 0.000 0.000 0.291 44 G C -0.897 174.001 174.900 -0.003 0.000 1.460 44 G CA -0.334 44.712 45.100 -0.091 0.000 0.791 44 G HN 0.079 nan 8.290 nan 0.000 0.505 45 A N -0.794 122.058 122.820 0.052 0.000 2.387 45 A HA 0.614 4.934 4.320 0.000 0.000 0.234 45 A C 0.952 178.690 177.584 0.256 0.000 1.253 45 A CA 1.005 53.145 52.037 0.172 0.000 0.894 45 A CB -0.509 18.552 19.000 0.101 0.000 0.963 45 A HN 2.042 nan 8.150 nan 0.000 0.508 46 V N -5.669 114.276 119.914 0.052 0.000 3.158 46 V HA 0.726 4.846 4.120 0.000 0.000 0.315 46 V C -0.099 175.506 176.094 -0.815 0.000 1.148 46 V CA -1.738 60.432 62.300 -0.218 0.000 1.042 46 V CB 0.793 32.500 31.823 -0.194 0.000 1.101 46 V HN 0.418 nan 8.190 nan 0.000 0.448 47 W N 1.000 121.250 121.300 -1.751 0.000 2.158 47 W HA 0.588 5.248 4.660 0.000 0.000 0.339 47 W C 0.463 176.558 176.519 -0.707 0.000 1.294 47 W CA 1.884 58.242 57.345 -1.646 0.000 1.231 47 W CB 0.357 29.047 29.460 -1.283 0.000 1.143 47 W HN 1.381 nan 8.180 nan 0.000 0.571 48 G N 3.695 111.671 108.800 -1.373 0.000 2.345 48 G HA2 0.020 3.980 3.960 0.000 0.000 0.310 48 G HA3 0.020 3.980 3.960 0.000 0.000 0.310 48 G C -0.503 173.940 174.900 -0.761 0.000 1.476 48 G CA -0.552 43.888 45.100 -1.101 0.000 0.978 48 G HN 0.922 nan 8.290 nan 0.000 0.656 49 N N -1.786 116.608 118.700 -0.511 0.000 2.721 49 N HA -0.189 4.551 4.740 0.000 0.000 0.249 49 N C 0.118 175.482 175.510 -0.243 0.000 1.072 49 N CA 1.289 54.164 53.050 -0.292 0.000 0.710 49 N CB -0.892 37.441 38.487 -0.257 0.000 0.993 49 N HN 0.846 nan 8.380 nan 0.000 0.547 50 I N 0.680 121.096 120.570 -0.256 0.000 2.496 50 I HA 0.158 4.328 4.170 0.000 0.000 0.285 50 I C 0.675 176.854 176.117 0.103 0.000 1.080 50 I CA -0.399 60.815 61.300 -0.142 0.000 1.404 50 I CB 1.158 39.009 38.000 -0.249 0.000 1.403 50 I HN 0.125 nan 8.210 nan 0.000 0.539 51 V N 3.788 123.800 119.914 0.163 0.000 3.141 51 V HA 0.575 4.695 4.120 0.000 0.000 0.312 51 V C -1.444 174.852 176.094 0.337 0.000 1.157 51 V CA -0.975 61.497 62.300 0.286 0.000 1.041 51 V CB 1.664 33.658 31.823 0.285 0.000 1.071 51 V HN 0.651 nan 8.190 nan 0.000 0.441 52 W N 2.136 123.434 121.300 -0.003 0.000 2.433 52 W HA 0.786 5.446 4.660 0.000 0.000 0.331 52 W C 0.711 177.179 176.519 -0.086 0.000 1.110 52 W CA 0.187 57.473 57.345 -0.098 0.000 1.450 52 W CB 0.288 29.595 29.460 -0.255 0.000 1.348 52 W HN 0.994 nan 8.180 nan 0.000 0.415 53 A N 2.947 125.645 122.820 -0.203 0.000 2.327 53 A HA 0.401 4.721 4.320 0.000 0.000 0.255 53 A C -0.691 176.719 177.584 -0.289 0.000 1.099 53 A CA 0.056 51.789 52.037 -0.506 0.000 0.801 53 A CB 0.386 18.520 19.000 -1.443 0.000 1.062 53 A HN 0.720 nan 8.150 nan 0.000 0.496 54 H N -0.489 118.438 119.070 -0.239 0.000 3.042 54 H HA 0.501 5.057 4.556 0.000 0.000 0.345 54 H C -1.463 173.922 175.328 0.096 0.000 1.052 54 H CA -0.431 55.576 56.048 -0.067 0.000 1.311 54 H CB 1.386 31.225 29.762 0.128 0.000 1.810 54 H HN 0.639 nan 8.280 nan 0.000 0.505 55 S N 2.384 118.113 115.700 0.049 0.000 2.570 55 S HA 0.455 4.926 4.470 0.000 0.000 0.286 55 S C -0.549 174.184 174.600 0.222 0.000 1.099 55 S CA -0.678 57.591 58.200 0.116 0.000 0.913 55 S CB 2.134 65.531 63.200 0.329 0.000 1.085 55 S HN 0.736 nan 8.310 nan 0.000 0.480 56 T N -1.233 113.518 114.554 0.328 0.000 2.930 56 T HA 0.883 5.233 4.350 0.000 0.000 0.290 56 T C -0.452 174.324 174.700 0.126 0.000 1.052 56 T CA -0.873 61.374 62.100 0.245 0.000 1.017 56 T CB 1.727 70.686 68.868 0.151 0.000 1.137 56 T HN 0.557 nan 8.240 nan 0.000 0.511 57 S N -0.740 114.875 115.700 -0.142 0.000 2.567 57 S HA 0.542 5.012 4.470 0.000 0.000 0.270 57 S C 0.328 174.849 174.600 -0.132 0.000 1.152 57 S CA -0.033 57.913 58.200 -0.423 0.000 0.835 57 S CB 1.359 63.692 63.200 -1.444 0.000 1.115 57 S HN 1.294 nan 8.310 nan 0.000 0.459 58 T N -0.782 113.708 114.554 -0.105 0.000 3.044 58 T HA 0.288 4.638 4.350 0.000 0.000 0.260 58 T C 0.279 175.037 174.700 0.098 0.000 1.019 58 T CA 0.738 62.840 62.100 0.003 0.000 0.921 58 T CB -0.200 68.646 68.868 -0.037 0.000 1.053 58 T HN 0.643 nan 8.240 nan 0.000 0.533 59 D N 0.382 120.771 120.400 -0.018 0.000 2.497 59 D HA 0.151 4.791 4.640 0.000 0.000 0.256 59 D C 1.044 177.216 176.300 -0.213 0.000 1.273 59 D CA -0.374 53.587 54.000 -0.065 0.000 0.812 59 D CB -0.648 40.089 40.800 -0.105 0.000 1.190 59 D HN 0.357 nan 8.370 nan 0.000 0.524 60 L N -0.177 120.820 121.223 -0.377 0.000 4.696 60 L HA -0.235 4.105 4.340 0.000 0.000 0.425 60 L C 0.386 177.257 176.870 0.002 0.000 1.115 60 L CA 0.551 55.236 54.840 -0.257 0.000 0.996 60 L CB -1.185 40.727 42.059 -0.245 0.000 2.077 60 L HN 0.215 nan 8.230 nan 0.000 0.792 61 I N -2.125 118.305 120.570 -0.233 0.000 4.228 61 I HA 0.177 4.347 4.170 0.000 0.000 0.298 61 I C 1.010 177.123 176.117 -0.007 0.000 1.206 61 I CA 0.717 62.040 61.300 0.040 0.000 1.322 61 I CB -0.050 37.938 38.000 -0.019 0.000 1.411 61 I HN 0.154 nan 8.210 nan 0.000 0.454 62 N N 1.004 119.541 118.700 -0.272 0.000 2.425 62 N HA 0.245 4.985 4.740 0.000 0.000 0.268 62 N C -1.526 173.770 175.510 -0.356 0.000 0.991 62 N CA -0.133 52.816 53.050 -0.167 0.000 0.931 62 N CB 1.401 39.818 38.487 -0.117 0.000 1.130 62 N HN 0.035 nan 8.380 nan 0.000 0.493 63 W N 0.815 122.149 121.300 0.057 0.000 2.702 63 W HA 0.326 4.986 4.660 0.000 0.000 0.331 63 W C -0.462 176.030 176.519 -0.046 0.000 1.049 63 W CA -0.689 56.694 57.345 0.065 0.000 1.230 63 W CB 1.436 31.029 29.460 0.221 0.000 1.408 63 W HN 0.225 nan 8.180 nan 0.000 0.492 64 D N 4.109 124.577 120.400 0.114 0.000 2.217 64 D HA 0.290 4.930 4.640 0.000 0.000 0.243 64 D C -2.338 173.760 176.300 -0.336 0.000 1.054 64 D CA -1.425 52.487 54.000 -0.147 0.000 0.838 64 D CB 1.653 42.303 40.800 -0.251 0.000 1.162 64 D HN -0.080 nan 8.370 nan 0.000 0.472 65 P HA 0.213 nan 4.420 nan 0.000 0.278 65 P C -0.633 176.285 177.300 -0.637 0.000 1.238 65 P CA -0.127 62.753 63.100 -0.366 0.000 0.794 65 P CB 1.448 33.013 31.700 -0.225 0.000 0.955 66 H N 0.084 119.092 119.070 -0.104 0.000 2.894 66 H HA 0.432 4.988 4.556 0.000 0.000 0.368 66 H C -2.124 173.215 175.328 0.018 0.000 1.181 66 H CA -1.736 54.280 56.048 -0.053 0.000 1.146 66 H CB 0.720 30.429 29.762 -0.089 0.000 1.839 66 H HN 0.257 nan 8.280 nan 0.000 0.557 67 P HA 0.061 nan 4.420 nan 0.000 0.269 67 P C -2.477 174.968 177.300 0.241 0.000 1.217 67 P CA -0.939 62.267 63.100 0.177 0.000 0.783 67 P CB -0.470 31.347 31.700 0.196 0.000 0.898 68 P HA -0.056 nan 4.420 nan 0.000 0.262 68 P C 0.203 177.752 177.300 0.416 0.000 1.182 68 P CA 0.614 63.886 63.100 0.285 0.000 0.761 68 P CB 0.299 32.163 31.700 0.272 0.000 0.795 69 A N 4.820 127.841 122.820 0.335 0.000 1.878 69 A HA 0.096 4.416 4.320 0.000 0.000 0.213 69 A C 0.830 178.356 177.584 -0.096 0.000 1.192 69 A CA 1.100 53.241 52.037 0.172 0.000 0.619 69 A CB -0.261 18.737 19.000 -0.004 0.000 0.837 69 A HN 0.532 nan 8.150 nan 0.000 0.446 70 I N 0.572 121.022 120.570 -0.201 0.000 2.447 70 I HA 0.514 4.684 4.170 0.000 0.000 0.287 70 I C -1.244 174.746 176.117 -0.212 0.000 1.023 70 I CA -0.649 60.319 61.300 -0.554 0.000 1.083 70 I CB 1.693 38.935 38.000 -1.263 0.000 1.245 70 I HN 0.381 nan 8.210 nan 0.000 0.434 71 F N 4.659 124.513 119.950 -0.160 0.000 2.645 71 F HA 0.693 5.220 4.527 0.000 0.000 0.310 71 F C -3.062 172.698 175.800 -0.067 0.000 1.102 71 F CA -3.299 54.664 58.000 -0.062 0.000 0.952 71 F CB 0.463 39.465 39.000 0.002 0.000 1.326 71 F HN 0.081 nan 8.300 nan 0.000 0.456 72 P HA 0.131 nan 4.420 nan 0.000 0.257 72 P C 0.023 177.354 177.300 0.051 0.000 1.189 72 P CA 0.491 63.622 63.100 0.053 0.000 0.780 72 P CB 0.605 32.340 31.700 0.058 0.000 0.772 73 S N 2.094 117.722 115.700 -0.121 0.000 3.067 73 S HA 0.641 5.111 4.470 0.000 0.000 0.253 73 S C 0.023 174.480 174.600 -0.238 0.000 0.942 73 S CA -0.150 57.977 58.200 -0.121 0.000 1.197 73 S CB 0.101 63.198 63.200 -0.172 0.000 1.143 73 S HN 0.515 nan 8.310 nan 0.000 0.638 74 A N 1.274 123.856 122.820 -0.397 0.000 2.586 74 A HA 0.783 5.103 4.320 0.000 0.000 0.291 74 A C -2.801 174.421 177.584 -0.603 0.000 1.062 74 A CA -1.195 50.483 52.037 -0.599 0.000 0.666 74 A CB 0.047 18.362 19.000 -1.142 0.000 1.281 74 A HN -0.024 nan 8.150 nan 0.000 0.421 75 P HA -0.126 nan 4.420 nan 0.000 0.216 75 P C 1.197 178.364 177.300 -0.222 0.000 1.153 75 P CA 2.106 65.061 63.100 -0.243 0.000 0.858 75 P CB -0.233 31.403 31.700 -0.107 0.000 0.789 76 F N -0.150 119.766 119.950 -0.057 0.000 2.546 76 F HA 0.016 4.543 4.527 0.000 0.000 0.298 76 F C 0.489 176.233 175.800 -0.093 0.000 1.120 76 F CA 0.777 58.726 58.000 -0.086 0.000 1.456 76 F CB -1.279 37.658 39.000 -0.105 0.000 1.088 76 F HN 0.001 nan 8.300 nan 0.000 0.572 77 D N -1.045 119.268 120.400 -0.145 0.000 2.712 77 D HA 0.054 4.694 4.640 0.000 0.000 0.300 77 D C 1.096 177.342 176.300 -0.090 0.000 1.521 77 D CA -0.324 53.661 54.000 -0.025 0.000 0.790 77 D CB -1.236 39.665 40.800 0.169 0.000 1.155 77 D HN 0.223 nan 8.370 nan 0.000 0.456 78 I N 0.836 121.325 120.570 -0.135 0.000 2.567 78 I HA -0.045 4.125 4.170 0.000 0.000 0.257 78 I C 0.688 176.771 176.117 -0.057 0.000 1.184 78 I CA 1.085 62.322 61.300 -0.103 0.000 1.451 78 I CB -0.201 37.734 38.000 -0.108 0.000 1.089 78 I HN 0.029 nan 8.210 nan 0.000 0.441 79 N N 0.829 119.491 118.700 -0.063 0.000 2.214 79 N HA 0.330 5.070 4.740 0.000 0.000 0.214 79 N C 0.219 175.714 175.510 -0.025 0.000 1.132 79 N CA 0.768 53.789 53.050 -0.047 0.000 0.856 79 N CB 0.791 39.240 38.487 -0.063 0.000 1.020 79 N HN 0.361 nan 8.380 nan 0.000 0.509 80 G N -0.148 108.650 108.800 -0.004 0.000 2.307 80 G HA2 -0.007 3.953 3.960 0.000 0.000 0.348 80 G HA3 -0.007 3.953 3.960 0.000 0.000 0.348 80 G C -1.409 173.585 174.900 0.157 0.000 1.603 80 G CA -0.894 44.274 45.100 0.114 0.000 0.961 80 G HN 0.120 nan 8.290 nan 0.000 0.686 81 C N 2.393 121.894 119.300 0.335 0.000 2.206 81 C HA 0.630 5.090 4.460 0.000 0.000 0.324 81 C C 0.366 175.803 174.990 0.745 0.000 1.120 81 C CA -0.976 58.276 59.018 0.389 0.000 1.546 81 C CB -1.532 26.244 27.740 0.059 0.000 2.023 81 C HN 0.544 nan 8.230 nan 0.000 0.448 82 W N 1.374 122.922 121.300 0.413 0.000 1.998 82 W HA 0.452 5.112 4.660 0.000 0.000 0.441 82 W C 0.922 177.740 176.519 0.497 0.000 1.859 82 W CA -0.836 56.737 57.345 0.380 0.000 2.071 82 W CB -0.281 29.348 29.460 0.282 0.000 1.474 82 W HN 0.405 nan 8.180 nan 0.000 0.734 83 S N -0.120 115.889 115.700 0.514 0.000 2.580 83 S HA 0.563 5.033 4.470 0.000 0.000 0.266 83 S C 0.283 175.149 174.600 0.443 0.000 1.354 83 S CA 0.603 58.986 58.200 0.305 0.000 1.008 83 S CB 0.446 63.724 63.200 0.130 0.000 0.898 83 S HN 0.684 nan 8.310 nan 0.000 0.555 84 G N -0.095 108.928 108.800 0.373 0.000 2.340 84 G HA2 0.521 4.481 3.960 0.000 0.000 0.299 84 G HA3 0.521 4.481 3.960 0.000 0.000 0.299 84 G C -1.707 173.385 174.900 0.319 0.000 1.291 84 G CA -0.620 44.720 45.100 0.400 0.000 0.841 84 G HN 0.713 nan 8.290 nan 0.000 0.500 85 S N -1.347 114.523 115.700 0.283 0.000 2.588 85 S HA 0.833 5.303 4.470 0.000 0.000 0.275 85 S C -0.127 174.589 174.600 0.194 0.000 1.130 85 S CA 0.029 58.364 58.200 0.225 0.000 0.855 85 S CB 1.716 65.049 63.200 0.221 0.000 1.116 85 S HN 1.723 nan 8.310 nan 0.000 0.472 86 A N 1.304 124.240 122.820 0.193 0.000 2.310 86 A HA 0.754 5.074 4.320 0.000 0.000 0.299 86 A C -0.215 177.497 177.584 0.214 0.000 1.147 86 A CA -0.387 51.752 52.037 0.170 0.000 0.818 86 A CB 0.365 19.474 19.000 0.183 0.000 1.096 86 A HN 0.594 nan 8.150 nan 0.000 0.495 87 T N 3.117 117.772 114.554 0.168 0.000 2.824 87 T HA 0.436 4.787 4.350 0.000 0.000 0.282 87 T C -0.343 174.402 174.700 0.075 0.000 0.993 87 T CA -0.251 61.948 62.100 0.165 0.000 0.967 87 T CB 0.696 69.646 68.868 0.137 0.000 0.960 87 T HN 0.413 nan 8.240 nan 0.000 0.441 88 I N 4.565 125.234 120.570 0.164 0.000 2.301 88 I HA 0.274 4.444 4.170 0.000 0.000 0.292 88 I C 0.498 176.697 176.117 0.136 0.000 1.046 88 I CA -0.511 60.878 61.300 0.147 0.000 1.282 88 I CB 0.343 38.492 38.000 0.249 0.000 1.409 88 I HN 0.502 nan 8.210 nan 0.000 0.484 89 L N 8.346 129.581 121.223 0.019 0.000 2.464 89 L HA 0.165 4.505 4.340 0.000 0.000 0.264 89 L C -0.950 176.033 176.870 0.189 0.000 1.199 89 L CA -1.262 53.617 54.840 0.065 0.000 0.818 89 L CB -0.036 41.956 42.059 -0.112 0.000 1.102 89 L HN 0.315 nan 8.230 nan 0.000 0.473 90 P HA -0.180 nan 4.420 nan 0.000 0.216 90 P C 0.856 178.243 177.300 0.145 0.000 1.153 90 P CA 1.347 64.570 63.100 0.205 0.000 0.858 90 P CB -0.109 31.711 31.700 0.200 0.000 0.789 91 N N -1.113 117.659 118.700 0.119 0.000 2.573 91 N HA -0.045 4.695 4.740 0.000 0.000 0.187 91 N C 1.346 176.916 175.510 0.100 0.000 1.107 91 N CA 1.574 54.678 53.050 0.090 0.000 0.918 91 N CB -1.124 37.401 38.487 0.063 0.000 0.966 91 N HN 0.276 nan 8.380 nan 0.000 0.448 92 G N -0.571 108.303 108.800 0.124 0.000 2.213 92 G HA2 -0.301 3.659 3.960 0.000 0.000 0.226 92 G HA3 -0.301 3.659 3.960 0.000 0.000 0.226 92 G C -0.109 174.903 174.900 0.187 0.000 0.992 92 G CA 0.093 45.297 45.100 0.173 0.000 0.632 92 G HN 0.616 nan 8.290 nan 0.000 0.511 93 K N 2.354 122.795 120.400 0.069 0.000 2.379 93 K HA 0.407 4.727 4.320 0.000 0.000 0.284 93 K C -2.201 174.318 176.600 -0.134 0.000 1.044 93 K CA -1.315 54.937 56.287 -0.058 0.000 0.974 93 K CB 0.935 33.378 32.500 -0.095 0.000 0.962 93 K HN 0.148 nan 8.250 nan 0.000 0.474 94 P HA 0.078 nan 4.420 nan 0.000 0.285 94 P C -1.040 176.187 177.300 -0.121 0.000 1.259 94 P CA -0.501 62.497 63.100 -0.171 0.000 0.794 94 P CB 1.248 32.802 31.700 -0.243 0.000 0.940 95 V N 1.178 121.064 119.914 -0.046 0.000 2.876 95 V HA 0.622 4.742 4.120 0.000 0.000 0.312 95 V C -0.453 175.703 176.094 0.103 0.000 1.085 95 V CA -1.097 61.225 62.300 0.036 0.000 0.945 95 V CB 2.139 33.896 31.823 -0.110 0.000 1.017 95 V HN 0.309 nan 8.190 nan 0.000 0.428 96 I N 3.726 124.355 120.570 0.099 0.000 2.354 96 I HA 0.472 4.642 4.170 0.000 0.000 0.292 96 I C -0.571 175.538 176.117 -0.014 0.000 0.989 96 I CA -0.535 60.721 61.300 -0.073 0.000 1.188 96 I CB 1.778 39.465 38.000 -0.522 0.000 1.342 96 I HN 0.482 nan 8.210 nan 0.000 0.457 97 L N 7.545 128.777 121.223 0.015 0.000 2.309 97 L HA 0.512 4.852 4.340 0.000 0.000 0.282 97 L C -0.947 175.931 176.870 0.013 0.000 1.036 97 L CA -0.705 54.093 54.840 -0.070 0.000 0.806 97 L CB 1.098 43.060 42.059 -0.161 0.000 1.220 97 L HN 0.528 nan 8.230 nan 0.000 0.429 98 Y N -0.249 119.925 120.300 -0.211 0.000 2.609 98 Y HA 0.516 5.066 4.550 0.000 0.000 0.336 98 Y C -0.726 175.113 175.900 -0.102 0.000 1.129 98 Y CA -1.162 56.883 58.100 -0.092 0.000 1.040 98 Y CB 1.224 39.523 38.460 -0.269 0.000 1.310 98 Y HN 0.305 nan 8.280 nan 0.000 0.460 99 T N 2.622 117.214 114.554 0.062 0.000 2.749 99 T HA 0.555 4.905 4.350 0.000 0.000 0.295 99 T C 0.267 174.996 174.700 0.048 0.000 0.936 99 T CA 0.122 62.191 62.100 -0.052 0.000 1.060 99 T CB 0.454 69.380 68.868 0.098 0.000 0.904 99 T HN 0.984 nan 8.240 nan 0.000 0.500 100 G N 2.525 111.221 108.800 -0.173 0.000 2.417 100 G HA2 0.609 4.569 3.960 0.000 0.000 0.334 100 G HA3 0.609 4.569 3.960 0.000 0.000 0.334 100 G C -0.618 174.148 174.900 -0.223 0.000 1.150 100 G CA -0.714 44.347 45.100 -0.065 0.000 0.923 100 G HN 0.608 nan 8.290 nan 0.000 0.485 101 I N 2.604 122.997 120.570 -0.296 0.000 2.304 101 I HA 0.201 4.371 4.170 0.000 0.000 0.291 101 I C 0.049 176.068 176.117 -0.162 0.000 1.018 101 I CA -0.941 60.159 61.300 -0.333 0.000 1.260 101 I CB 0.847 38.561 38.000 -0.477 0.000 1.390 101 I HN 0.640 nan 8.210 nan 0.000 0.475 102 D N 8.545 128.876 120.400 -0.114 0.000 2.451 102 D HA 0.269 4.909 4.640 0.000 0.000 0.259 102 D C -2.230 174.034 176.300 -0.060 0.000 1.201 102 D CA -1.849 52.113 54.000 -0.063 0.000 1.028 102 D CB 0.501 41.285 40.800 -0.027 0.000 1.095 102 D HN 0.128 nan 8.370 nan 0.000 0.539 103 P HA -0.045 nan 4.420 nan 0.000 0.222 103 P C 0.596 177.877 177.300 -0.032 0.000 1.147 103 P CA 1.398 64.473 63.100 -0.041 0.000 0.790 103 P CB 0.109 31.788 31.700 -0.035 0.000 0.780 104 K N -0.669 119.714 120.400 -0.029 0.000 2.437 104 K HA 0.114 4.434 4.320 0.000 0.000 0.198 104 K C 0.003 176.588 176.600 -0.026 0.000 1.024 104 K CA -0.066 56.208 56.287 -0.023 0.000 1.148 104 K CB -0.335 32.154 32.500 -0.018 0.000 0.860 104 K HN 0.002 nan 8.250 nan 0.000 0.515 105 N N 1.894 120.570 118.700 -0.041 0.000 2.741 105 N HA -0.181 4.559 4.740 0.000 0.000 0.250 105 N C -0.883 174.589 175.510 -0.064 0.000 1.115 105 N CA 1.017 54.035 53.050 -0.054 0.000 0.724 105 N CB -1.184 37.292 38.487 -0.018 0.000 1.090 105 N HN 0.472 nan 8.380 nan 0.000 0.558 106 Q N 0.378 120.142 119.800 -0.060 0.000 2.235 106 Q HA 0.317 4.657 4.340 0.000 0.000 0.250 106 Q C 0.071 176.027 176.000 -0.073 0.000 0.909 106 Q CA -0.300 55.477 55.803 -0.042 0.000 0.910 106 Q CB 1.152 29.879 28.738 -0.018 0.000 1.223 106 Q HN 0.166 nan 8.270 nan 0.000 0.432 107 Q N 1.515 121.293 119.800 -0.036 0.000 2.294 107 Q HA 0.380 4.720 4.340 0.000 0.000 0.257 107 Q C -0.535 175.489 176.000 0.039 0.000 0.955 107 Q CA -0.443 55.321 55.803 -0.065 0.000 0.936 107 Q CB 1.076 29.805 28.738 -0.015 0.000 1.188 107 Q HN 0.472 nan 8.270 nan 0.000 0.420 108 V N -0.427 119.440 119.914 -0.078 0.000 3.040 108 V HA 0.498 4.618 4.120 0.000 0.000 0.312 108 V C -1.238 174.694 176.094 -0.270 0.000 1.115 108 V CA -1.176 61.076 62.300 -0.080 0.000 0.998 108 V CB 2.369 34.155 31.823 -0.061 0.000 1.042 108 V HN 0.537 nan 8.190 nan 0.000 0.433 109 Q N 2.995 122.588 119.800 -0.344 0.000 2.314 109 Q HA 0.579 4.919 4.340 0.000 0.000 0.259 109 Q C -1.047 174.616 176.000 -0.562 0.000 0.951 109 Q CA -0.227 55.269 55.803 -0.511 0.000 0.909 109 Q CB 1.288 29.668 28.738 -0.596 0.000 1.236 109 Q HN 0.856 nan 8.270 nan 0.000 0.444 110 N N 2.120 120.356 118.700 -0.773 0.000 2.335 110 N HA 0.527 5.267 4.740 0.000 0.000 0.304 110 N C -0.634 174.483 175.510 -0.655 0.000 1.135 110 N CA -0.606 51.958 53.050 -0.809 0.000 0.817 110 N CB 2.383 40.267 38.487 -1.004 0.000 1.294 110 N HN 0.509 nan 8.380 nan 0.000 0.497 111 I N 0.533 120.870 120.570 -0.388 0.000 2.525 111 I HA 0.645 4.816 4.170 0.000 0.000 0.301 111 I C -0.744 175.360 176.117 -0.023 0.000 0.992 111 I CA -0.537 60.676 61.300 -0.144 0.000 1.162 111 I CB 1.277 39.252 38.000 -0.042 0.000 1.332 111 I HN 0.607 nan 8.210 nan 0.000 0.458 112 A N 6.509 129.362 122.820 0.055 0.000 2.498 112 A HA 0.761 5.081 4.320 0.000 0.000 0.298 112 A C -1.317 176.400 177.584 0.222 0.000 1.075 112 A CA -0.547 51.551 52.037 0.101 0.000 0.714 112 A CB 1.610 20.605 19.000 -0.008 0.000 1.299 112 A HN 0.752 nan 8.150 nan 0.000 0.407 113 E N 0.588 120.907 120.200 0.198 0.000 2.429 113 E HA 0.653 5.003 4.350 0.000 0.000 0.276 113 E C -3.097 173.248 176.600 -0.425 0.000 0.953 113 E CA -2.276 54.111 56.400 -0.021 0.000 0.787 113 E CB 1.902 31.538 29.700 -0.107 0.000 1.307 113 E HN 0.251 nan 8.360 nan 0.000 0.458 114 P HA 0.050 nan 4.420 nan 0.000 0.268 114 P C -0.109 176.875 177.300 -0.526 0.000 1.205 114 P CA -0.161 62.249 63.100 -1.149 0.000 0.771 114 P CB 0.800 31.855 31.700 -1.076 0.000 0.858 115 K N 1.875 122.036 120.400 -0.399 0.000 2.305 115 K HA -0.021 4.299 4.320 0.000 0.000 0.199 115 K C 0.244 176.752 176.600 -0.154 0.000 1.047 115 K CA 0.744 56.913 56.287 -0.197 0.000 0.976 115 K CB 0.125 32.557 32.500 -0.113 0.000 0.765 115 K HN 0.333 nan 8.250 nan 0.000 0.474 116 N N 0.425 119.016 118.700 -0.181 0.000 2.594 116 N HA 0.077 4.817 4.740 0.000 0.000 0.280 116 N C -0.004 175.442 175.510 -0.107 0.000 1.156 116 N CA -0.178 52.808 53.050 -0.107 0.000 0.831 116 N CB 0.887 39.342 38.487 -0.053 0.000 1.379 116 N HN -0.024 nan 8.380 nan 0.000 0.536 117 L N 1.026 122.197 121.223 -0.087 0.000 2.275 117 L HA -0.010 4.330 4.340 0.000 0.000 0.215 117 L C 1.646 178.569 176.870 0.088 0.000 1.119 117 L CA 0.755 55.588 54.840 -0.012 0.000 0.790 117 L CB -0.049 42.013 42.059 0.005 0.000 0.919 117 L HN 0.409 nan 8.230 nan 0.000 0.443 118 S N -1.326 114.388 115.700 0.024 0.000 2.489 118 S HA -0.088 4.382 4.470 0.000 0.000 0.228 118 S C 0.665 175.264 174.600 -0.001 0.000 0.995 118 S CA 0.230 58.435 58.200 0.009 0.000 0.934 118 S CB -0.315 62.882 63.200 -0.006 0.000 0.771 118 S HN 0.352 nan 8.310 nan 0.000 0.522 119 D N 2.118 122.525 120.400 0.013 0.000 2.344 119 D HA 0.145 4.785 4.640 0.000 0.000 0.253 119 D C -1.817 174.489 176.300 0.010 0.000 1.255 119 D CA -2.245 51.763 54.000 0.013 0.000 0.894 119 D CB 1.208 42.035 40.800 0.046 0.000 1.067 119 D HN 0.038 nan 8.370 nan 0.000 0.492 120 P HA -0.082 nan 4.420 nan 0.000 0.223 120 P C 0.483 177.707 177.300 -0.127 0.000 1.151 120 P CA 0.962 63.934 63.100 -0.215 0.000 0.787 120 P CB -0.061 31.341 31.700 -0.497 0.000 0.788 121 Y N -0.811 119.588 120.300 0.166 0.000 2.490 121 Y HA 0.238 4.788 4.550 0.000 0.000 0.281 121 Y C 1.096 177.176 175.900 0.300 0.000 1.174 121 Y CA -0.582 57.589 58.100 0.118 0.000 1.295 121 Y CB -0.562 37.802 38.460 -0.159 0.000 1.062 121 Y HN -0.337 nan 8.280 nan 0.000 0.522 122 L N 0.964 122.392 121.223 0.342 0.000 3.965 122 L HA -0.381 3.959 4.340 0.000 0.000 0.476 122 L C 1.155 178.277 176.870 0.421 0.000 1.201 122 L CA 0.252 55.226 54.840 0.222 0.000 0.710 122 L CB -1.052 41.100 42.059 0.155 0.000 1.509 122 L HN 0.419 nan 8.230 nan 0.000 0.815 123 R N 0.209 120.885 120.500 0.294 0.000 2.119 123 R HA 0.067 4.407 4.340 0.000 0.000 0.222 123 R C 0.376 176.913 176.300 0.395 0.000 1.088 123 R CA 0.899 57.211 56.100 0.354 0.000 0.984 123 R CB 0.185 30.616 30.300 0.218 0.000 0.884 123 R HN 0.545 nan 8.270 nan 0.000 0.447 124 E N -0.588 119.749 120.200 0.229 0.000 2.176 124 E HA 0.159 4.509 4.350 0.000 0.000 0.267 124 E C -1.485 175.141 176.600 0.044 0.000 0.893 124 E CA -0.509 56.010 56.400 0.197 0.000 0.761 124 E CB 1.454 31.219 29.700 0.109 0.000 1.133 124 E HN -0.002 nan 8.360 nan 0.000 0.409 125 W N 3.411 124.674 121.300 -0.062 0.000 2.632 125 W HA 0.301 4.961 4.660 0.000 0.000 0.328 125 W C -0.000 176.431 176.519 -0.147 0.000 1.044 125 W CA -0.729 56.535 57.345 -0.135 0.000 1.225 125 W CB 1.286 30.608 29.460 -0.231 0.000 1.396 125 W HN 0.331 nan 8.180 nan 0.000 0.499 126 K N 1.827 122.252 120.400 0.042 0.000 2.185 126 K HA 0.810 5.130 4.320 0.000 0.000 0.240 126 K C -0.804 175.819 176.600 0.039 0.000 0.983 126 K CA -1.030 55.265 56.287 0.013 0.000 0.873 126 K CB 1.935 34.423 32.500 -0.019 0.000 1.118 126 K HN 0.385 nan 8.250 nan 0.000 0.441 127 K N 0.781 121.212 120.400 0.051 0.000 2.427 127 K HA 0.171 4.491 4.320 0.000 0.000 0.252 127 K C -0.995 175.630 176.600 0.043 0.000 0.931 127 K CA -0.841 55.492 56.287 0.076 0.000 0.793 127 K CB 2.189 34.819 32.500 0.217 0.000 1.211 127 K HN 0.685 nan 8.250 nan 0.000 0.426 128 S N 2.242 117.903 115.700 -0.064 0.000 2.549 128 S HA 0.094 4.564 4.470 0.000 0.000 0.286 128 S C -1.633 172.913 174.600 -0.092 0.000 1.314 128 S CA -1.099 57.051 58.200 -0.083 0.000 1.062 128 S CB 0.408 63.538 63.200 -0.116 0.000 0.865 128 S HN 0.335 nan 8.310 nan 0.000 0.498 129 P HA 0.023 nan 4.420 nan 0.000 0.226 129 P C 0.871 178.157 177.300 -0.022 0.000 1.153 129 P CA 0.785 63.905 63.100 0.034 0.000 0.777 129 P CB -0.001 31.720 31.700 0.035 0.000 0.794 130 L N -1.867 119.306 121.223 -0.083 0.000 2.478 130 L HA 0.026 4.367 4.340 0.000 0.000 0.223 130 L C 0.768 177.527 176.870 -0.186 0.000 1.140 130 L CA 0.110 54.894 54.840 -0.093 0.000 0.842 130 L CB -0.843 41.176 42.059 -0.066 0.000 0.953 130 L HN -0.027 nan 8.230 nan 0.000 0.452 131 N N 1.783 120.242 118.700 -0.401 0.000 2.407 131 N HA 0.082 4.822 4.740 0.000 0.000 0.250 131 N C -2.198 173.085 175.510 -0.378 0.000 1.236 131 N CA -0.693 51.944 53.050 -0.687 0.000 0.879 131 N CB 0.295 37.707 38.487 -1.791 0.000 1.088 131 N HN -0.013 nan 8.380 nan 0.000 0.450 132 P HA 0.131 nan 4.420 nan 0.000 0.279 132 P C 0.543 177.707 177.300 -0.227 0.000 1.239 132 P CA -0.464 62.458 63.100 -0.298 0.000 0.789 132 P CB 0.958 32.554 31.700 -0.172 0.000 0.933 133 L N 1.602 122.663 121.223 -0.269 0.000 2.179 133 L HA 0.142 4.482 4.340 0.000 0.000 0.208 133 L C 1.318 178.092 176.870 -0.161 0.000 1.096 133 L CA 1.762 56.505 54.840 -0.163 0.000 0.779 133 L CB -0.752 41.207 42.059 -0.168 0.000 0.922 133 L HN 0.446 nan 8.230 nan 0.000 0.443 134 M N -1.346 118.080 119.600 -0.289 0.000 2.267 134 M HA 0.632 5.112 4.480 0.000 0.000 0.289 134 M C -0.916 175.344 176.300 -0.067 0.000 1.043 134 M CA -0.150 54.964 55.300 -0.310 0.000 0.928 134 M CB 2.617 34.718 32.600 -0.831 0.000 1.613 134 M HN -0.086 nan 8.290 nan 0.000 0.450 135 A N 3.215 126.063 122.820 0.046 0.000 2.594 135 A HA 0.977 5.297 4.320 0.000 0.000 0.295 135 A C -3.042 174.514 177.584 -0.047 0.000 1.071 135 A CA -1.493 50.597 52.037 0.087 0.000 0.685 135 A CB 1.433 20.443 19.000 0.016 0.000 1.285 135 A HN 0.458 nan 8.150 nan 0.000 0.405 136 P HA 0.431 nan 4.420 nan 0.000 0.271 136 P C -1.117 176.121 177.300 -0.104 0.000 1.216 136 P CA 0.362 63.332 63.100 -0.218 0.000 0.776 136 P CB 0.737 32.322 31.700 -0.191 0.000 0.881 137 D N 0.623 120.962 120.400 -0.101 0.000 2.812 137 D HA 0.438 5.078 4.640 0.000 0.000 0.318 137 D C 0.563 176.824 176.300 -0.064 0.000 1.234 137 D CA -0.899 53.063 54.000 -0.062 0.000 0.989 137 D CB -0.108 40.669 40.800 -0.039 0.000 1.442 137 D HN 0.125 nan 8.370 nan 0.000 0.537 138 A N -0.455 122.337 122.820 -0.047 0.000 2.066 138 A HA 0.092 4.412 4.320 0.000 0.000 0.218 138 A C 1.847 179.403 177.584 -0.047 0.000 1.157 138 A CA 1.458 53.469 52.037 -0.044 0.000 0.670 138 A CB -0.726 18.254 19.000 -0.032 0.000 0.804 138 A HN 0.314 nan 8.150 nan 0.000 0.453 139 V N 1.675 121.561 119.914 -0.046 0.000 2.273 139 V HA -0.199 3.921 4.120 0.000 0.000 0.242 139 V C 2.379 178.436 176.094 -0.062 0.000 1.035 139 V CA 2.021 64.294 62.300 -0.045 0.000 1.013 139 V CB -1.101 30.701 31.823 -0.035 0.000 0.652 139 V HN 0.847 nan 8.190 nan 0.000 0.452 140 N N 1.537 120.192 118.700 -0.075 0.000 2.309 140 N HA -0.001 4.740 4.740 0.000 0.000 0.182 140 N C 1.468 176.906 175.510 -0.120 0.000 1.018 140 N CA 1.264 54.252 53.050 -0.103 0.000 0.876 140 N CB -0.696 37.720 38.487 -0.118 0.000 0.972 140 N HN 0.566 nan 8.380 nan 0.000 0.434 141 G N -0.093 108.638 108.800 -0.114 0.000 2.225 141 G HA2 -0.303 3.657 3.960 0.000 0.000 0.267 141 G HA3 -0.303 3.657 3.960 0.000 0.000 0.267 141 G C -0.134 174.676 174.900 -0.149 0.000 1.024 141 G CA 0.362 45.393 45.100 -0.114 0.000 0.784 141 G HN 0.472 nan 8.290 nan 0.000 0.507 142 I N 0.134 120.581 120.570 -0.205 0.000 2.634 142 I HA 0.076 4.246 4.170 0.000 0.000 0.284 142 I C 0.786 176.779 176.117 -0.206 0.000 1.124 142 I CA -0.236 60.900 61.300 -0.274 0.000 1.417 142 I CB 0.475 38.141 38.000 -0.557 0.000 1.396 142 I HN 0.142 nan 8.210 nan 0.000 0.571 143 N N 4.799 123.411 118.700 -0.147 0.000 2.399 143 N HA 0.188 4.928 4.740 0.000 0.000 0.259 143 N C 0.919 176.418 175.510 -0.018 0.000 1.160 143 N CA -0.113 52.890 53.050 -0.079 0.000 0.946 143 N CB 1.218 39.665 38.487 -0.066 0.000 1.156 143 N HN 0.742 nan 8.380 nan 0.000 0.489 144 A N 1.819 124.627 122.820 -0.020 0.000 2.024 144 A HA -0.145 4.175 4.320 0.000 0.000 0.220 144 A C 1.792 179.419 177.584 0.071 0.000 1.164 144 A CA 1.302 53.354 52.037 0.025 0.000 0.643 144 A CB -0.080 18.918 19.000 -0.002 0.000 0.806 144 A HN 0.564 nan 8.150 nan 0.000 0.451 145 S N -0.513 115.225 115.700 0.063 0.000 2.575 145 S HA 0.173 4.643 4.470 0.000 0.000 0.215 145 S C 0.371 175.052 174.600 0.135 0.000 0.966 145 S CA 0.295 58.548 58.200 0.089 0.000 0.911 145 S CB 0.197 63.439 63.200 0.070 0.000 0.780 145 S HN 0.363 nan 8.310 nan 0.000 0.514 146 S N 1.529 117.316 115.700 0.146 0.000 2.204 146 S HA 0.461 4.931 4.470 0.000 0.000 0.147 146 S C -1.114 173.649 174.600 0.272 0.000 1.711 146 S CA -0.460 57.846 58.200 0.176 0.000 1.274 146 S CB 0.214 63.480 63.200 0.110 0.000 1.257 146 S HN 0.369 nan 8.310 nan 0.000 0.404 147 F N 3.646 123.642 119.950 0.076 0.000 3.397 147 F HA 0.405 4.932 4.527 0.000 0.000 0.406 147 F C -0.567 175.273 175.800 0.067 0.000 1.166 147 F CA -0.410 57.623 58.000 0.056 0.000 1.322 147 F CB 0.366 39.376 39.000 0.015 0.000 2.322 147 F HN 0.430 nan 8.300 nan 0.000 0.709 148 R N 1.469 121.895 120.500 -0.123 0.000 2.766 148 R HA 0.656 4.996 4.340 0.000 0.000 0.270 148 R C -1.631 174.651 176.300 -0.030 0.000 1.035 148 R CA -0.876 55.169 56.100 -0.093 0.000 0.911 148 R CB 1.184 31.594 30.300 0.184 0.000 1.243 148 R HN 0.135 nan 8.270 nan 0.000 0.460 149 D N -0.273 120.146 120.400 0.031 0.000 3.293 149 D HA -0.063 4.577 4.640 0.000 0.000 0.252 149 D C -2.481 173.840 176.300 0.035 0.000 1.073 149 D CA 0.281 54.333 54.000 0.087 0.000 0.957 149 D CB -0.876 40.005 40.800 0.134 0.000 0.987 149 D HN 0.440 nan 8.370 nan 0.000 0.422 150 P HA 0.114 nan 4.420 nan 0.000 0.271 150 P C 0.689 178.031 177.300 0.069 0.000 1.216 150 P CA -0.058 63.007 63.100 -0.057 0.000 0.771 150 P CB 0.674 32.266 31.700 -0.181 0.000 0.864 151 T N -0.250 114.381 114.554 0.128 0.000 2.788 151 T HA 0.205 4.555 4.350 0.000 0.000 0.280 151 T C 0.256 175.116 174.700 0.267 0.000 0.984 151 T CA -0.464 61.785 62.100 0.248 0.000 0.972 151 T CB -0.369 68.730 68.868 0.385 0.000 1.039 151 T HN 0.212 nan 8.240 nan 0.000 0.530 152 T N 2.146 116.909 114.554 0.349 0.000 2.902 152 T HA 0.452 4.802 4.350 0.000 0.000 0.301 152 T C 0.650 175.672 174.700 0.537 0.000 1.012 152 T CA -0.060 62.278 62.100 0.396 0.000 1.151 152 T CB -0.116 68.996 68.868 0.408 0.000 0.946 152 T HN 0.938 nan 8.240 nan 0.000 0.542 153 A N 3.622 126.740 122.820 0.496 0.000 2.313 153 A HA 0.664 4.984 4.320 0.000 0.000 0.261 153 A C -0.397 177.716 177.584 0.880 0.000 1.090 153 A CA -0.794 51.578 52.037 0.557 0.000 0.807 153 A CB 0.322 19.641 19.000 0.532 0.000 1.055 153 A HN 0.981 nan 8.150 nan 0.000 0.492 154 W N 0.120 121.856 121.300 0.726 0.000 3.022 154 W HA 0.600 5.260 4.660 0.000 0.000 0.335 154 W C -1.748 175.002 176.519 0.384 0.000 1.133 154 W CA -1.159 56.520 57.345 0.558 0.000 1.219 154 W CB 0.942 30.615 29.460 0.355 0.000 1.409 154 W HN 0.503 nan 8.180 nan 0.000 0.507 155 L N 4.253 125.516 121.223 0.066 0.000 2.257 155 L HA 0.733 5.073 4.340 0.000 0.000 0.290 155 L C 0.541 177.407 176.870 -0.006 0.000 1.044 155 L CA -0.117 54.430 54.840 -0.487 0.000 0.810 155 L CB 0.493 41.922 42.059 -1.050 0.000 1.193 155 L HN 0.778 nan 8.230 nan 0.000 0.425 156 G N 3.329 112.177 108.800 0.080 0.000 2.606 156 G HA2 0.190 4.150 3.960 0.000 0.000 0.252 156 G HA3 0.190 4.150 3.960 0.000 0.000 0.252 156 G C 0.564 175.650 174.900 0.311 0.000 1.206 156 G CA -0.015 45.267 45.100 0.304 0.000 0.861 156 G HN 0.758 nan 8.290 nan 0.000 0.561 157 Q N 0.466 120.497 119.800 0.384 0.000 2.248 157 Q HA -0.175 4.165 4.340 0.000 0.000 0.208 157 Q C 0.948 176.946 176.000 -0.004 0.000 0.984 157 Q CA 1.996 57.818 55.803 0.032 0.000 0.875 157 Q CB -0.505 28.115 28.738 -0.197 0.000 0.910 157 Q HN 0.657 nan 8.270 nan 0.000 0.433 158 D N 0.232 120.650 120.400 0.030 0.000 2.325 158 D HA 0.092 4.732 4.640 0.000 0.000 0.234 158 D C -0.272 176.019 176.300 -0.015 0.000 1.122 158 D CA -0.084 53.918 54.000 0.002 0.000 0.850 158 D CB -0.088 40.721 40.800 0.014 0.000 0.921 158 D HN 0.306 nan 8.370 nan 0.000 0.513 159 K N -0.958 119.423 120.400 -0.032 0.000 3.088 159 K HA -0.240 4.081 4.320 0.000 0.000 0.273 159 K C -0.498 176.027 176.600 -0.126 0.000 1.111 159 K CA 0.747 56.981 56.287 -0.087 0.000 0.803 159 K CB -1.431 31.040 32.500 -0.048 0.000 1.226 159 K HN 0.305 nan 8.250 nan 0.000 0.485 160 K N 0.126 120.460 120.400 -0.109 0.000 2.292 160 K HA 0.297 4.617 4.320 0.000 0.000 0.257 160 K C -0.521 176.015 176.600 -0.107 0.000 0.940 160 K CA -0.769 55.468 56.287 -0.083 0.000 0.811 160 K CB 0.863 33.353 32.500 -0.018 0.000 1.120 160 K HN 0.033 nan 8.250 nan 0.000 0.428 161 W N 1.786 123.055 121.300 -0.051 0.000 2.170 161 W HA 0.208 4.868 4.660 0.000 0.000 0.336 161 W C 0.505 176.958 176.519 -0.109 0.000 1.283 161 W CA -0.095 57.228 57.345 -0.036 0.000 1.224 161 W CB 0.531 29.990 29.460 -0.002 0.000 1.132 161 W HN 0.263 nan 8.180 nan 0.000 0.571 162 R N 1.105 121.555 120.500 -0.084 0.000 2.740 162 R HA 0.777 5.117 4.340 0.000 0.000 0.282 162 R C -1.332 174.589 176.300 -0.633 0.000 0.969 162 R CA -1.021 54.811 56.100 -0.447 0.000 0.918 162 R CB 2.014 31.731 30.300 -0.971 0.000 1.175 162 R HN 0.318 nan 8.270 nan 0.000 0.464 163 V N 3.911 123.614 119.914 -0.351 0.000 3.087 163 V HA 0.666 4.786 4.120 0.000 0.000 0.306 163 V C -1.403 174.649 176.094 -0.070 0.000 1.187 163 V CA -0.778 61.352 62.300 -0.283 0.000 0.999 163 V CB 2.081 33.688 31.823 -0.361 0.000 1.049 163 V HN 0.737 nan 8.190 nan 0.000 0.431 164 I N 3.157 123.794 120.570 0.112 0.000 2.569 164 I HA 0.733 4.903 4.170 0.000 0.000 0.296 164 I C -1.143 175.051 176.117 0.128 0.000 1.028 164 I CA -0.837 60.571 61.300 0.179 0.000 1.082 164 I CB 2.097 40.251 38.000 0.258 0.000 1.264 164 I HN 0.470 nan 8.210 nan 0.000 0.429 165 I N 3.524 124.174 120.570 0.134 0.000 2.509 165 I HA 0.543 4.713 4.170 0.000 0.000 0.293 165 I C 0.795 177.003 176.117 0.152 0.000 1.020 165 I CA -0.551 60.769 61.300 0.034 0.000 1.088 165 I CB 2.017 39.901 38.000 -0.193 0.000 1.267 165 I HN 0.809 nan 8.210 nan 0.000 0.430 166 G N 2.759 111.645 108.800 0.143 0.000 2.491 166 G HA2 0.463 4.423 3.960 0.000 0.000 0.242 166 G HA3 0.463 4.423 3.960 0.000 0.000 0.242 166 G C -0.381 174.658 174.900 0.233 0.000 1.266 166 G CA 0.115 45.358 45.100 0.238 0.000 0.844 166 G HN 0.591 nan 8.290 nan 0.000 0.571 167 S N -0.189 115.642 115.700 0.219 0.000 2.655 167 S HA 0.716 5.187 4.470 0.000 0.000 0.266 167 S C -1.349 173.271 174.600 0.033 0.000 1.149 167 S CA -0.693 57.609 58.200 0.171 0.000 0.818 167 S CB 1.429 64.760 63.200 0.218 0.000 1.130 167 S HN 1.167 nan 8.310 nan 0.000 0.476 168 K N 1.043 121.447 120.400 0.006 0.000 2.546 168 K HA 0.658 4.978 4.320 0.000 0.000 0.264 168 K C -1.730 174.814 176.600 -0.094 0.000 0.937 168 K CA -0.933 55.309 56.287 -0.075 0.000 0.833 168 K CB 1.096 33.571 32.500 -0.040 0.000 1.378 168 K HN 0.409 nan 8.250 nan 0.000 0.432 169 I N 4.308 124.799 120.570 -0.131 0.000 2.389 169 I HA 0.294 4.464 4.170 0.000 0.000 0.288 169 I C 0.620 176.664 176.117 -0.122 0.000 0.999 169 I CA -0.071 61.108 61.300 -0.202 0.000 1.129 169 I CB 0.507 38.401 38.000 -0.178 0.000 1.288 169 I HN 0.838 nan 8.210 nan 0.000 0.444 170 H N 5.254 124.306 119.070 -0.030 0.000 1.452 170 H HA -0.238 4.318 4.556 0.000 0.000 0.090 170 H C 0.935 176.256 175.328 -0.013 0.000 0.910 170 H CA 1.061 57.098 56.048 -0.019 0.000 1.901 170 H CB -0.527 29.222 29.762 -0.022 0.000 2.257 170 H HN 0.543 nan 8.280 nan 0.000 0.961 171 R N 2.380 122.970 120.500 0.149 0.000 2.334 171 R HA 0.118 4.458 4.340 0.000 0.000 0.220 171 R C 0.971 177.296 176.300 0.042 0.000 0.917 171 R CA 0.026 56.172 56.100 0.076 0.000 1.073 171 R CB 0.012 30.350 30.300 0.064 0.000 1.056 171 R HN 0.288 nan 8.270 nan 0.000 0.506 172 R N 0.858 121.366 120.500 0.013 0.000 2.207 172 R HA 0.272 4.612 4.340 0.000 0.000 0.334 172 R C -0.245 175.930 176.300 -0.209 0.000 1.013 172 R CA -0.187 55.881 56.100 -0.053 0.000 0.858 172 R CB 0.990 31.272 30.300 -0.030 0.000 1.094 172 R HN 0.024 nan 8.270 nan 0.000 0.457 173 G N 4.524 113.088 108.800 -0.392 0.000 2.442 173 G HA2 0.398 4.358 3.960 0.000 0.000 0.249 173 G HA3 0.398 4.358 3.960 0.000 0.000 0.249 173 G C -0.607 173.411 174.900 -1.469 0.000 1.263 173 G CA -0.502 43.950 45.100 -1.081 0.000 0.846 173 G HN 0.506 nan 8.290 nan 0.000 0.555 174 L N 0.705 121.235 121.223 -1.156 0.000 2.422 174 L HA 0.632 4.972 4.340 0.000 0.000 0.264 174 L C 0.021 176.805 176.870 -0.144 0.000 0.984 174 L CA -1.181 53.289 54.840 -0.616 0.000 0.819 174 L CB 2.568 44.488 42.059 -0.232 0.000 1.330 174 L HN 0.600 nan 8.230 nan 0.000 0.410 175 A N 4.078 126.969 122.820 0.118 0.000 2.511 175 A HA 0.581 4.901 4.320 0.000 0.000 0.340 175 A C -0.268 177.445 177.584 0.216 0.000 1.396 175 A CA -0.363 51.875 52.037 0.334 0.000 0.887 175 A CB -0.184 19.098 19.000 0.469 0.000 1.145 175 A HN 0.623 nan 8.150 nan 0.000 0.497 176 I N 2.491 123.187 120.570 0.211 0.000 2.452 176 I HA 0.087 4.257 4.170 0.000 0.000 0.287 176 I C 0.203 176.455 176.117 0.225 0.000 1.079 176 I CA 0.366 61.785 61.300 0.198 0.000 1.387 176 I CB 1.043 39.221 38.000 0.296 0.000 1.404 176 I HN 0.440 nan 8.210 nan 0.000 0.522 177 T N 6.212 120.844 114.554 0.129 0.000 2.767 177 T HA 0.402 4.752 4.350 0.000 0.000 0.288 177 T C -0.590 174.140 174.700 0.049 0.000 0.963 177 T CA -0.236 61.941 62.100 0.127 0.000 1.019 177 T CB 0.395 69.330 68.868 0.111 0.000 0.923 177 T HN 0.167 nan 8.240 nan 0.000 0.468 178 Y N 1.695 122.043 120.300 0.080 0.000 2.446 178 Y HA 0.574 5.124 4.550 0.000 0.000 0.338 178 Y C 1.060 177.130 175.900 0.284 0.000 1.055 178 Y CA -0.863 57.340 58.100 0.172 0.000 1.101 178 Y CB 1.850 40.407 38.460 0.162 0.000 1.221 178 Y HN 0.687 nan 8.280 nan 0.000 0.460 179 T N -1.368 113.430 114.554 0.407 0.000 2.907 179 T HA 0.775 5.125 4.350 0.000 0.000 0.292 179 T C -0.687 174.014 174.700 0.000 0.000 1.043 179 T CA -0.884 61.352 62.100 0.227 0.000 1.003 179 T CB 1.849 70.773 68.868 0.094 0.000 1.084 179 T HN 0.555 nan 8.240 nan 0.000 0.483 180 S N -0.146 115.353 115.700 -0.334 0.000 2.556 180 S HA 0.479 4.949 4.470 0.000 0.000 0.271 180 S C 0.096 174.554 174.600 -0.236 0.000 1.135 180 S CA -0.855 56.973 58.200 -0.621 0.000 0.858 180 S CB 1.854 63.943 63.200 -1.851 0.000 1.114 180 S HN 0.821 nan 8.310 nan 0.000 0.468 181 K N 0.642 120.945 120.400 -0.163 0.000 2.244 181 K HA 0.110 4.430 4.320 0.000 0.000 0.200 181 K C 0.328 176.975 176.600 0.078 0.000 1.052 181 K CA 0.880 57.162 56.287 -0.008 0.000 0.980 181 K CB 0.053 32.538 32.500 -0.025 0.000 0.838 181 K HN 0.721 nan 8.250 nan 0.000 0.481 182 D N -0.918 119.465 120.400 -0.028 0.000 2.433 182 D HA -0.007 4.633 4.640 0.000 0.000 0.211 182 D C 0.326 176.655 176.300 0.048 0.000 1.114 182 D CA -0.589 53.431 54.000 0.034 0.000 0.837 182 D CB -0.186 40.613 40.800 -0.002 0.000 0.984 182 D HN 0.091 nan 8.370 nan 0.000 0.505 183 F N -0.085 119.639 119.950 -0.375 0.000 2.914 183 F HA -0.308 4.219 4.527 0.000 0.000 0.304 183 F C 0.219 175.932 175.800 -0.146 0.000 0.712 183 F CA 0.707 58.449 58.000 -0.430 0.000 1.211 183 F CB -1.243 37.567 39.000 -0.317 0.000 1.515 183 F HN 0.111 nan 8.300 nan 0.000 0.350 184 L N -1.408 119.727 121.223 -0.146 0.000 2.641 184 L HA 0.168 4.508 4.340 0.000 0.000 0.207 184 L C 0.813 177.663 176.870 -0.033 0.000 1.049 184 L CA 0.046 54.891 54.840 0.009 0.000 0.866 184 L CB -0.004 42.065 42.059 0.017 0.000 1.264 184 L HN -0.205 nan 8.230 nan 0.000 0.483 185 K N 0.881 121.182 120.400 -0.166 0.000 2.284 185 K HA 0.175 4.495 4.320 0.000 0.000 0.287 185 K C -1.599 174.847 176.600 -0.255 0.000 1.081 185 K CA -0.157 56.062 56.287 -0.113 0.000 0.910 185 K CB 0.526 32.977 32.500 -0.081 0.000 1.088 185 K HN -0.040 nan 8.250 nan 0.000 0.478 186 W N 2.193 123.481 121.300 -0.020 0.000 2.529 186 W HA 0.274 4.934 4.660 0.000 0.000 0.321 186 W C 0.119 176.742 176.519 0.173 0.000 1.047 186 W CA -0.573 56.798 57.345 0.044 0.000 1.216 186 W CB 1.216 30.651 29.460 -0.042 0.000 1.357 186 W HN 0.460 nan 8.180 nan 0.000 0.489 187 E N 3.359 123.778 120.200 0.366 0.000 2.199 187 E HA 0.246 4.596 4.350 0.000 0.000 0.269 187 E C -0.705 175.923 176.600 0.046 0.000 0.899 187 E CA -0.875 55.647 56.400 0.203 0.000 0.772 187 E CB 1.275 31.018 29.700 0.072 0.000 1.155 187 E HN 0.365 nan 8.360 nan 0.000 0.408 188 K N 2.246 122.477 120.400 -0.281 0.000 2.298 188 K HA 0.173 4.493 4.320 0.000 0.000 0.280 188 K C -0.678 175.722 176.600 -0.332 0.000 1.032 188 K CA -0.256 55.557 56.287 -0.790 0.000 0.958 188 K CB 0.861 32.891 32.500 -0.782 0.000 0.978 188 K HN 0.424 nan 8.250 nan 0.000 0.472 189 S N 4.947 120.483 115.700 -0.273 0.000 2.580 189 S HA 0.105 4.575 4.470 0.000 0.000 0.274 189 S C -1.732 172.801 174.600 -0.111 0.000 1.329 189 S CA -1.359 56.772 58.200 -0.115 0.000 1.036 189 S CB 1.200 64.378 63.200 -0.037 0.000 0.919 189 S HN 0.587 nan 8.310 nan 0.000 0.515 190 P HA -0.042 nan 4.420 nan 0.000 0.215 190 P C 0.166 177.433 177.300 -0.056 0.000 1.153 190 P CA 1.238 64.302 63.100 -0.060 0.000 0.853 190 P CB 0.225 31.904 31.700 -0.034 0.000 0.788 191 E N -0.779 119.408 120.200 -0.023 0.000 2.221 191 E HA 0.339 4.689 4.350 0.000 0.000 0.268 191 E C -2.379 174.240 176.600 0.032 0.000 0.933 191 E CA -2.388 54.010 56.400 -0.003 0.000 0.809 191 E CB 1.119 30.843 29.700 0.039 0.000 1.190 191 E HN 0.074 nan 8.360 nan 0.000 0.406 192 P HA 0.124 nan 4.420 nan 0.000 0.281 192 P C 0.898 178.320 177.300 0.202 0.000 1.249 192 P CA -0.523 62.642 63.100 0.108 0.000 0.810 192 P CB 1.139 32.889 31.700 0.083 0.000 1.008 193 L N 1.118 122.466 121.223 0.209 0.000 2.081 193 L HA -0.105 4.235 4.340 0.000 0.000 0.212 193 L C 1.005 178.105 176.870 0.383 0.000 1.080 193 L CA 1.998 56.972 54.840 0.224 0.000 0.754 193 L CB -0.703 41.387 42.059 0.051 0.000 0.893 193 L HN 0.583 nan 8.230 nan 0.000 0.433 194 H N -3.564 115.688 119.070 0.304 0.000 2.967 194 H HA 0.369 4.925 4.556 0.000 0.000 0.318 194 H C -1.662 173.916 175.328 0.416 0.000 1.375 194 H CA -0.311 55.972 56.048 0.392 0.000 1.132 194 H CB 1.357 31.398 29.762 0.466 0.000 1.848 194 H HN -0.004 nan 8.280 nan 0.000 0.524 195 Y N 0.167 120.249 120.300 -0.363 0.000 2.764 195 Y HA 0.558 5.108 4.550 0.000 0.000 0.331 195 Y C -2.058 173.610 175.900 -0.386 0.000 1.280 195 Y CA -0.957 56.830 58.100 -0.521 0.000 1.065 195 Y CB 1.750 39.995 38.460 -0.359 0.000 1.319 195 Y HN 0.633 nan 8.280 nan 0.000 0.453 196 D N 0.035 120.312 120.400 -0.206 0.000 2.871 196 D HA 0.208 4.848 4.640 0.000 0.000 0.209 196 D C -2.255 174.076 176.300 0.052 0.000 1.292 196 D CA -0.399 53.575 54.000 -0.042 0.000 0.869 196 D CB 1.306 42.255 40.800 0.249 0.000 1.663 196 D HN 0.595 nan 8.370 nan 0.000 0.557 197 D N 2.775 123.224 120.400 0.080 0.000 2.325 197 D HA 0.457 5.097 4.640 0.000 0.000 0.251 197 D C 1.324 177.664 176.300 0.065 0.000 1.196 197 D CA 0.987 55.036 54.000 0.082 0.000 0.866 197 D CB 1.489 42.345 40.800 0.093 0.000 1.101 197 D HN 0.763 nan 8.370 nan 0.000 0.476 198 G N 1.969 110.806 108.800 0.062 0.000 2.195 198 G HA2 -0.334 3.626 3.960 0.000 0.000 0.224 198 G HA3 -0.334 3.626 3.960 0.000 0.000 0.224 198 G C 1.182 176.128 174.900 0.076 0.000 0.990 198 G CA 0.493 45.629 45.100 0.060 0.000 0.639 198 G HN 0.512 nan 8.290 nan 0.000 0.514 199 S N 0.043 115.811 115.700 0.113 0.000 2.446 199 S HA 0.478 4.949 4.470 0.000 0.000 0.225 199 S C 1.997 176.702 174.600 0.174 0.000 1.016 199 S CA 1.430 59.731 58.200 0.168 0.000 0.943 199 S CB 0.232 63.646 63.200 0.357 0.000 0.786 199 S HN 2.552 nan 8.310 nan 0.000 0.508 200 G N 1.417 110.298 108.800 0.133 0.000 2.587 200 G HA2 -0.134 3.826 3.960 0.000 0.000 0.212 200 G HA3 -0.134 3.826 3.960 0.000 0.000 0.212 200 G C -0.396 174.595 174.900 0.152 0.000 1.327 200 G CA -0.298 44.875 45.100 0.122 0.000 0.898 200 G HN 0.725 nan 8.290 nan 0.000 0.551 201 M N -0.178 119.523 119.600 0.169 0.000 2.248 201 M HA 0.539 5.019 4.480 0.000 0.000 0.345 201 M C -0.630 175.919 176.300 0.414 0.000 1.243 201 M CA -0.446 54.978 55.300 0.206 0.000 1.090 201 M CB 0.063 32.772 32.600 0.181 0.000 1.683 201 M HN 0.486 nan 8.290 nan 0.000 0.450 202 W N 5.794 127.162 121.300 0.113 0.000 2.295 202 W HA 0.398 5.058 4.660 0.000 0.000 0.333 202 W C -0.214 176.377 176.519 0.120 0.000 0.990 202 W CA -0.731 56.683 57.345 0.115 0.000 1.453 202 W CB -0.274 29.251 29.460 0.110 0.000 1.263 202 W HN 0.656 nan 8.180 nan 0.000 0.380 203 E N 0.848 121.229 120.200 0.301 0.000 2.318 203 E HA 0.235 4.585 4.350 0.000 0.000 0.265 203 E C 0.340 177.023 176.600 0.138 0.000 1.069 203 E CA -0.499 56.032 56.400 0.218 0.000 0.893 203 E CB 1.100 30.939 29.700 0.231 0.000 1.076 203 E HN 0.295 nan 8.360 nan 0.000 0.414 204 C N 2.009 121.388 119.300 0.131 0.000 3.200 204 C HA -0.098 4.363 4.460 0.000 0.000 0.263 204 C C -1.909 173.150 174.990 0.115 0.000 1.345 204 C CA -0.756 58.325 59.018 0.106 0.000 2.274 204 C CB -2.688 25.083 27.740 0.051 0.000 1.459 204 C HN 0.515 nan 8.230 nan 0.000 0.501 205 P HA 0.420 nan 4.420 nan 0.000 0.272 205 P C -0.224 177.192 177.300 0.192 0.000 1.230 205 P CA 0.709 63.901 63.100 0.153 0.000 0.788 205 P CB 0.847 32.672 31.700 0.208 0.000 0.949 206 D N 0.351 120.867 120.400 0.194 0.000 2.859 206 D HA 0.548 5.188 4.640 0.000 0.000 0.223 206 D C -2.038 174.403 176.300 0.235 0.000 1.218 206 D CA -0.347 53.828 54.000 0.291 0.000 0.850 206 D CB 1.123 42.158 40.800 0.392 0.000 1.656 206 D HN 0.109 nan 8.370 nan 0.000 0.484 207 F N 4.842 124.815 119.950 0.038 0.000 2.831 207 F HA 0.539 5.066 4.527 0.000 0.000 0.346 207 F C -1.877 173.813 175.800 -0.183 0.000 1.224 207 F CA -0.758 57.066 58.000 -0.293 0.000 1.048 207 F CB 0.566 39.294 39.000 -0.454 0.000 1.339 207 F HN 0.239 nan 8.300 nan 0.000 0.514 208 F N 5.073 124.671 119.950 -0.586 0.000 2.645 208 F HA 0.907 5.434 4.527 0.000 0.000 0.310 208 F C -3.211 172.224 175.800 -0.609 0.000 1.102 208 F CA -2.827 54.895 58.000 -0.462 0.000 0.952 208 F CB 1.310 40.194 39.000 -0.194 0.000 1.326 208 F HN 0.090 nan 8.300 nan 0.000 0.456 209 P HA 0.487 nan 4.420 nan 0.000 0.284 209 P C -1.228 175.973 177.300 -0.165 0.000 1.258 209 P CA -0.502 62.213 63.100 -0.642 0.000 0.824 209 P CB 2.152 33.477 31.700 -0.624 0.000 1.038 210 V N -1.963 117.846 119.914 -0.174 0.000 2.760 210 V HA 0.536 4.656 4.120 0.000 0.000 0.309 210 V C 0.045 176.131 176.094 -0.014 0.000 1.077 210 V CA -0.734 61.560 62.300 -0.009 0.000 0.910 210 V CB 1.237 33.092 31.823 0.053 0.000 1.008 210 V HN 0.557 nan 8.190 nan 0.000 0.424 211 T N 1.911 116.488 114.554 0.039 0.000 2.926 211 T HA 0.237 4.587 4.350 0.000 0.000 0.307 211 T C 1.060 175.812 174.700 0.086 0.000 1.059 211 T CA 0.348 62.483 62.100 0.058 0.000 1.122 211 T CB 0.927 69.842 68.868 0.078 0.000 0.972 211 T HN 0.967 nan 8.240 nan 0.000 0.545 212 R N 2.256 122.818 120.500 0.103 0.000 2.115 212 R HA 0.183 4.523 4.340 0.000 0.000 0.230 212 R C -0.321 176.087 176.300 0.180 0.000 1.111 212 R CA 1.228 57.402 56.100 0.122 0.000 0.976 212 R CB -0.239 30.139 30.300 0.130 0.000 0.870 212 R HN 0.524 nan 8.270 nan 0.000 0.445 213 F N -0.801 119.185 119.950 0.061 0.000 2.588 213 F HA 0.565 5.092 4.527 0.000 0.000 0.318 213 F C -0.373 175.449 175.800 0.035 0.000 1.155 213 F CA 0.109 58.146 58.000 0.062 0.000 0.967 213 F CB 1.894 40.922 39.000 0.047 0.000 1.236 213 F HN 0.288 nan 8.300 nan 0.000 0.455 214 G N 2.294 111.319 108.800 0.376 0.000 2.334 214 G HA2 0.303 4.263 3.960 0.000 0.000 0.566 214 G HA3 0.303 4.263 3.960 0.000 0.000 0.566 214 G C -0.395 174.478 174.900 -0.045 0.000 1.413 214 G CA -0.215 44.981 45.100 0.161 0.000 0.993 214 G HN 1.267 nan 8.290 nan 0.000 0.642 215 S N -0.622 114.905 115.700 -0.289 0.000 2.539 215 S HA 0.251 4.721 4.470 0.000 0.000 0.221 215 S C 0.514 174.918 174.600 -0.326 0.000 0.987 215 S CA 0.006 57.783 58.200 -0.704 0.000 0.929 215 S CB 0.079 62.441 63.200 -1.397 0.000 0.832 215 S HN 0.584 nan 8.310 nan 0.000 0.492 216 N N 2.487 121.105 118.700 -0.138 0.000 2.525 216 N HA 0.412 5.152 4.740 0.000 0.000 0.271 216 N C 0.315 175.857 175.510 0.053 0.000 1.194 216 N CA 0.355 53.379 53.050 -0.044 0.000 0.964 216 N CB 0.928 39.411 38.487 -0.006 0.000 1.126 216 N HN 0.459 nan 8.380 nan 0.000 0.452 217 G N -0.213 108.648 108.800 0.101 0.000 2.503 217 G HA2 0.395 4.355 3.960 0.000 0.000 0.257 217 G HA3 0.395 4.355 3.960 0.000 0.000 0.257 217 G C -0.331 174.744 174.900 0.291 0.000 1.214 217 G CA -0.371 44.850 45.100 0.203 0.000 0.839 217 G HN 0.318 nan 8.290 nan 0.000 0.559 218 V N 1.755 121.747 119.914 0.130 0.000 2.435 218 V HA 0.252 4.372 4.120 0.000 0.000 0.290 218 V C 0.444 176.276 176.094 -0.436 0.000 1.030 218 V CA -1.077 61.175 62.300 -0.079 0.000 0.881 218 V CB 1.621 33.390 31.823 -0.090 0.000 0.983 218 V HN 0.771 nan 8.190 nan 0.000 0.445 219 E N 2.283 121.940 120.200 -0.905 0.000 2.481 219 E HA -0.038 4.312 4.350 0.000 0.000 0.263 219 E C 1.151 177.496 176.600 -0.425 0.000 0.992 219 E CA 0.464 56.197 56.400 -1.111 0.000 0.938 219 E CB 1.215 30.480 29.700 -0.725 0.000 0.933 219 E HN 0.814 nan 8.360 nan 0.000 0.453 220 T N 2.467 116.892 114.554 -0.216 0.000 2.720 220 T HA -0.127 4.223 4.350 0.000 0.000 0.268 220 T C 1.513 176.213 174.700 0.000 0.000 1.037 220 T CA 1.757 63.852 62.100 -0.008 0.000 1.144 220 T CB 0.032 69.022 68.868 0.205 0.000 0.864 220 T HN 0.309 nan 8.240 nan 0.000 0.444 221 S N 0.891 116.597 115.700 0.010 0.000 2.593 221 S HA 0.188 4.658 4.470 0.000 0.000 0.217 221 S C 0.971 175.343 174.600 -0.379 0.000 0.966 221 S CA -0.306 57.859 58.200 -0.059 0.000 0.914 221 S CB 0.031 63.252 63.200 0.035 0.000 0.776 221 S HN 0.437 nan 8.310 nan 0.000 0.523 222 S N 1.573 117.105 115.700 -0.279 0.000 2.533 222 S HA 0.347 4.817 4.470 0.000 0.000 0.282 222 S C -0.230 174.202 174.600 -0.280 0.000 1.304 222 S CA -0.430 57.626 58.200 -0.239 0.000 1.063 222 S CB -0.137 62.977 63.200 -0.143 0.000 0.881 222 S HN 0.178 nan 8.310 nan 0.000 0.493 223 F N 2.190 122.180 119.950 0.066 0.000 2.380 223 F HA 0.521 5.048 4.527 0.000 0.000 0.321 223 F C 1.382 177.218 175.800 0.059 0.000 1.103 223 F CA -0.463 57.587 58.000 0.082 0.000 1.067 223 F CB 0.575 39.618 39.000 0.071 0.000 1.265 223 F HN 0.641 nan 8.300 nan 0.000 0.517 224 G N 0.973 109.939 108.800 0.276 0.000 2.350 224 G HA2 0.434 4.394 3.960 0.000 0.000 0.306 224 G HA3 0.434 4.394 3.960 0.000 0.000 0.306 224 G C -0.684 174.300 174.900 0.139 0.000 1.094 224 G CA -0.471 44.728 45.100 0.164 0.000 0.953 224 G HN 0.558 nan 8.290 nan 0.000 0.420 225 E N 3.073 123.339 120.200 0.108 0.000 2.391 225 E HA 0.167 4.517 4.350 0.000 0.000 0.255 225 E C -1.494 175.142 176.600 0.060 0.000 1.187 225 E CA -1.229 55.218 56.400 0.078 0.000 0.941 225 E CB 0.803 30.543 29.700 0.065 0.000 1.010 225 E HN 0.202 nan 8.360 nan 0.000 0.458 226 P HA -0.104 nan 4.420 nan 0.000 0.236 226 P C 0.003 177.323 177.300 0.034 0.000 1.172 226 P CA 0.914 64.035 63.100 0.035 0.000 0.759 226 P CB 0.088 31.802 31.700 0.024 0.000 0.843 227 N N -1.930 116.792 118.700 0.037 0.000 2.564 227 N HA 0.008 4.748 4.740 0.000 0.000 0.202 227 N C 0.453 175.988 175.510 0.041 0.000 1.052 227 N CA 0.345 53.415 53.050 0.033 0.000 0.872 227 N CB -0.074 38.429 38.487 0.027 0.000 1.303 227 N HN -0.006 nan 8.380 nan 0.000 0.440 228 E N 1.318 121.548 120.200 0.051 0.000 2.229 228 E HA 0.288 4.638 4.350 0.000 0.000 0.283 228 E C -0.456 176.184 176.600 0.066 0.000 1.030 228 E CA -0.306 56.129 56.400 0.058 0.000 0.836 228 E CB 1.583 31.319 29.700 0.060 0.000 1.068 228 E HN 0.294 nan 8.360 nan 0.000 0.401 229 I N 5.576 126.188 120.570 0.070 0.000 2.315 229 I HA 0.225 4.395 4.170 0.000 0.000 0.291 229 I C 0.042 176.200 176.117 0.069 0.000 1.006 229 I CA -0.386 60.959 61.300 0.075 0.000 1.265 229 I CB 0.653 38.702 38.000 0.082 0.000 1.387 229 I HN 0.231 nan 8.210 nan 0.000 0.475 230 L N 6.820 128.080 121.223 0.062 0.000 2.334 230 L HA 0.590 4.930 4.340 0.000 0.000 0.273 230 L C -0.191 176.699 176.870 0.033 0.000 1.013 230 L CA -1.013 53.839 54.840 0.020 0.000 0.816 230 L CB 1.603 43.651 42.059 -0.018 0.000 1.278 230 L HN 0.443 nan 8.230 nan 0.000 0.431 231 K N 0.312 120.701 120.400 -0.018 0.000 2.295 231 K HA 0.557 4.877 4.320 0.000 0.000 0.239 231 K C -1.198 175.322 176.600 -0.134 0.000 0.991 231 K CA -0.951 55.341 56.287 0.009 0.000 0.845 231 K CB 2.051 34.561 32.500 0.016 0.000 1.197 231 K HN 0.455 nan 8.250 nan 0.000 0.441 232 H N -0.827 118.212 119.070 -0.051 0.000 2.529 232 H HA 0.447 5.003 4.556 0.000 0.000 0.348 232 H C -0.806 174.323 175.328 -0.331 0.000 1.152 232 H CA -0.566 55.313 56.048 -0.281 0.000 1.202 232 H CB 1.640 31.222 29.762 -0.300 0.000 1.562 232 H HN 0.043 nan 8.280 nan 0.000 0.515 233 V N 4.008 123.503 119.914 -0.699 0.000 2.384 233 V HA 0.167 4.287 4.120 0.000 0.000 0.287 233 V C -0.757 174.801 176.094 -0.892 0.000 1.020 233 V CA -0.757 61.074 62.300 -0.781 0.000 0.850 233 V CB 1.414 32.559 31.823 -1.131 0.000 0.987 233 V HN 0.427 nan 8.190 nan 0.000 0.436 234 L N 6.216 127.001 121.223 -0.730 0.000 2.265 234 L HA 0.588 4.928 4.340 0.000 0.000 0.289 234 L C -0.249 176.441 176.870 -0.299 0.000 1.033 234 L CA 0.166 54.681 54.840 -0.542 0.000 0.814 234 L CB 0.912 42.448 42.059 -0.872 0.000 1.203 234 L HN 0.586 nan 8.230 nan 0.000 0.423 235 K N 7.143 127.442 120.400 -0.169 0.000 2.221 235 K HA 0.587 4.907 4.320 0.000 0.000 0.258 235 K C -1.333 175.197 176.600 -0.116 0.000 0.944 235 K CA -0.630 55.605 56.287 -0.087 0.000 0.823 235 K CB 1.516 34.072 32.500 0.093 0.000 1.113 235 K HN 0.809 nan 8.250 nan 0.000 0.431 236 I N -0.505 119.955 120.570 -0.183 0.000 2.686 236 I HA 0.387 4.557 4.170 0.000 0.000 0.295 236 I C -0.680 175.377 176.117 -0.101 0.000 1.114 236 I CA -0.722 60.452 61.300 -0.211 0.000 1.038 236 I CB 2.331 39.947 38.000 -0.641 0.000 1.238 236 I HN 0.274 nan 8.210 nan 0.000 0.420 237 S N 5.738 121.385 115.700 -0.089 0.000 2.525 237 S HA 0.611 5.081 4.470 0.000 0.000 0.278 237 S C -0.299 174.357 174.600 0.093 0.000 1.234 237 S CA -0.608 57.487 58.200 -0.174 0.000 1.058 237 S CB 1.188 64.020 63.200 -0.612 0.000 0.983 237 S HN 0.448 nan 8.310 nan 0.000 0.495 238 L N 3.077 124.467 121.223 0.278 0.000 2.295 238 L HA 0.288 4.628 4.340 0.000 0.000 0.281 238 L C 0.846 177.937 176.870 0.368 0.000 1.018 238 L CA -0.586 54.454 54.840 0.333 0.000 0.841 238 L CB 1.192 43.434 42.059 0.304 0.000 1.218 238 L HN 0.602 nan 8.230 nan 0.000 0.424 239 D N 1.386 121.973 120.400 0.313 0.000 2.242 239 D HA -0.295 4.345 4.640 0.000 0.000 0.190 239 D C 1.466 177.824 176.300 0.096 0.000 1.012 239 D CA 1.950 56.060 54.000 0.183 0.000 0.875 239 D CB 0.303 41.194 40.800 0.152 0.000 0.922 239 D HN 0.650 nan 8.370 nan 0.000 0.448 240 D N -1.233 119.235 120.400 0.113 0.000 2.097 240 D HA -0.108 4.532 4.640 0.000 0.000 0.195 240 D C 1.813 178.125 176.300 0.021 0.000 0.989 240 D CA 2.388 56.428 54.000 0.067 0.000 0.827 240 D CB -0.134 40.717 40.800 0.084 0.000 0.966 240 D HN 0.387 nan 8.370 nan 0.000 0.456 241 T N -3.753 110.815 114.554 0.024 0.000 3.044 241 T HA 0.177 4.527 4.350 0.000 0.000 0.260 241 T C 0.450 174.883 174.700 -0.444 0.000 1.019 241 T CA -0.296 61.731 62.100 -0.122 0.000 0.921 241 T CB 0.348 69.244 68.868 0.048 0.000 1.053 241 T HN -0.049 nan 8.240 nan 0.000 0.533 242 K N 1.046 121.323 120.400 -0.204 0.000 3.129 242 K HA -0.173 4.147 4.320 0.000 0.000 0.273 242 K C -0.665 175.892 176.600 -0.071 0.000 1.123 242 K CA 0.897 57.016 56.287 -0.281 0.000 0.800 242 K CB -2.954 29.310 32.500 -0.392 0.000 1.238 242 K HN 0.819 nan 8.250 nan 0.000 0.492 243 H N -0.851 118.408 119.070 0.315 0.000 2.855 243 H HA 0.499 5.055 4.556 0.000 0.000 0.363 243 H C -0.587 174.694 175.328 -0.078 0.000 1.185 243 H CA -1.259 54.815 56.048 0.044 0.000 1.174 243 H CB 1.582 31.160 29.762 -0.307 0.000 1.857 243 H HN -0.143 nan 8.280 nan 0.000 0.565 244 D N 0.644 120.946 120.400 -0.164 0.000 2.192 244 D HA 0.252 4.892 4.640 0.000 0.000 0.246 244 D C -1.040 174.938 176.300 -0.536 0.000 1.042 244 D CA -0.153 53.710 54.000 -0.228 0.000 0.847 244 D CB 1.116 41.901 40.800 -0.026 0.000 1.186 244 D HN 0.301 nan 8.370 nan 0.000 0.461 245 Y N 0.847 121.022 120.300 -0.209 0.000 2.499 245 Y HA 0.481 5.031 4.550 0.000 0.000 0.347 245 Y C -0.395 175.328 175.900 -0.294 0.000 0.987 245 Y CA -1.274 56.662 58.100 -0.275 0.000 1.044 245 Y CB 1.532 39.874 38.460 -0.195 0.000 1.245 245 Y HN 0.319 nan 8.280 nan 0.000 0.461 246 Y N -1.346 118.836 120.300 -0.197 0.000 2.581 246 Y HA 0.889 5.439 4.550 0.000 0.000 0.345 246 Y C -0.996 174.829 175.900 -0.125 0.000 1.036 246 Y CA -1.453 56.501 58.100 -0.244 0.000 1.042 246 Y CB 1.672 39.908 38.460 -0.374 0.000 1.289 246 Y HN 0.557 nan 8.280 nan 0.000 0.471 247 T N 0.806 115.372 114.554 0.019 0.000 2.916 247 T HA 0.688 5.038 4.350 0.000 0.000 0.298 247 T C -0.860 173.729 174.700 -0.185 0.000 1.031 247 T CA -0.654 61.344 62.100 -0.170 0.000 0.993 247 T CB 1.250 70.118 68.868 -0.001 0.000 1.045 247 T HN 0.750 nan 8.240 nan 0.000 0.454 248 I N 2.268 122.427 120.570 -0.685 0.000 2.428 248 I HA 0.676 4.846 4.170 0.000 0.000 0.289 248 I C 1.026 176.997 176.117 -0.243 0.000 1.019 248 I CA 0.046 61.133 61.300 -0.356 0.000 1.351 248 I CB 1.083 38.887 38.000 -0.327 0.000 1.412 248 I HN 1.071 nan 8.210 nan 0.000 0.513 249 G N 3.219 112.056 108.800 0.061 0.000 2.554 249 G HA2 0.578 4.538 3.960 0.000 0.000 0.306 249 G HA3 0.578 4.538 3.960 0.000 0.000 0.306 249 G C -1.130 173.787 174.900 0.029 0.000 1.320 249 G CA -0.488 44.524 45.100 -0.147 0.000 0.800 249 G HN 0.529 nan 8.290 nan 0.000 0.481 250 T N -2.436 112.052 114.554 -0.111 0.000 2.918 250 T HA 0.562 4.912 4.350 0.000 0.000 0.286 250 T C -1.227 173.586 174.700 0.190 0.000 1.026 250 T CA -0.614 61.544 62.100 0.098 0.000 1.031 250 T CB 2.122 71.023 68.868 0.054 0.000 1.046 250 T HN 0.790 nan 8.240 nan 0.000 0.479 251 Y N 2.232 122.615 120.300 0.137 0.000 2.717 251 Y HA 0.327 4.877 4.550 0.000 0.000 0.329 251 Y C -0.213 175.746 175.900 0.098 0.000 1.017 251 Y CA -2.191 55.984 58.100 0.126 0.000 1.275 251 Y CB -0.065 38.256 38.460 -0.232 0.000 1.109 251 Y HN 0.778 nan 8.280 nan 0.000 0.511 252 D N 5.576 126.044 120.400 0.115 0.000 2.346 252 D HA 0.024 4.664 4.640 0.000 0.000 0.267 252 D C 0.957 177.141 176.300 -0.193 0.000 1.320 252 D CA 0.323 54.306 54.000 -0.027 0.000 0.951 252 D CB 0.678 41.505 40.800 0.044 0.000 1.079 252 D HN 0.692 nan 8.370 nan 0.000 0.509 253 R N 2.590 122.881 120.500 -0.348 0.000 2.115 253 R HA -0.061 4.279 4.340 0.000 0.000 0.230 253 R C 1.930 178.170 176.300 -0.099 0.000 1.111 253 R CA 0.565 56.443 56.100 -0.370 0.000 0.976 253 R CB -0.186 29.966 30.300 -0.247 0.000 0.870 253 R HN 0.336 nan 8.270 nan 0.000 0.445 254 V N 1.785 121.669 119.914 -0.049 0.000 2.233 254 V HA -0.259 3.861 4.120 0.000 0.000 0.247 254 V C 2.190 178.299 176.094 0.026 0.000 1.050 254 V CA 1.826 64.125 62.300 -0.003 0.000 1.010 254 V CB -0.388 31.437 31.823 0.002 0.000 0.637 254 V HN 0.289 nan 8.190 nan 0.000 0.444 255 K N -0.951 119.473 120.400 0.039 0.000 2.288 255 K HA -0.074 4.246 4.320 0.000 0.000 0.201 255 K C 0.664 177.331 176.600 0.113 0.000 1.048 255 K CA 0.830 57.161 56.287 0.072 0.000 0.956 255 K CB -0.064 32.486 32.500 0.083 0.000 0.746 255 K HN 0.469 nan 8.250 nan 0.000 0.461 256 D N 0.798 121.274 120.400 0.126 0.000 2.739 256 D HA -0.131 4.509 4.640 0.000 0.000 0.240 256 D C -1.193 175.316 176.300 0.348 0.000 1.114 256 D CA 1.010 55.166 54.000 0.259 0.000 0.695 256 D CB -0.770 40.171 40.800 0.234 0.000 1.078 256 D HN 0.145 nan 8.370 nan 0.000 0.434 257 K N 0.106 120.712 120.400 0.343 0.000 2.435 257 K HA 0.525 4.845 4.320 0.000 0.000 0.251 257 K C -0.746 176.098 176.600 0.408 0.000 0.954 257 K CA -0.989 55.498 56.287 0.333 0.000 0.820 257 K CB 1.488 34.133 32.500 0.241 0.000 1.292 257 K HN 0.032 nan 8.250 nan 0.000 0.436 258 F N 2.204 122.253 119.950 0.165 0.000 2.415 258 F HA 0.375 4.902 4.527 0.000 0.000 0.348 258 F C -0.818 174.951 175.800 -0.053 0.000 1.119 258 F CA -0.656 57.396 58.000 0.086 0.000 1.069 258 F CB 1.011 39.999 39.000 -0.019 0.000 1.124 258 F HN 0.072 nan 8.300 nan 0.000 0.472 259 V N 8.269 127.737 119.914 -0.743 0.000 2.304 259 V HA 0.324 4.444 4.120 0.000 0.000 0.278 259 V C -2.229 173.328 176.094 -0.894 0.000 1.018 259 V CA -1.962 59.972 62.300 -0.609 0.000 0.814 259 V CB 0.947 32.625 31.823 -0.241 0.000 1.021 259 V HN 0.646 nan 8.190 nan 0.000 0.440 260 P HA 0.106 nan 4.420 nan 0.000 0.266 260 P C -0.290 176.922 177.300 -0.147 0.000 1.195 260 P CA -0.083 62.740 63.100 -0.461 0.000 0.768 260 P CB 0.475 32.110 31.700 -0.109 0.000 0.838 261 D N 1.191 121.586 120.400 -0.009 0.000 2.419 261 D HA -0.055 4.585 4.640 0.000 0.000 0.236 261 D C 0.759 177.194 176.300 0.224 0.000 1.165 261 D CA 0.326 54.413 54.000 0.144 0.000 0.882 261 D CB 0.015 40.964 40.800 0.247 0.000 1.201 261 D HN 0.328 nan 8.370 nan 0.000 0.443 262 N N 0.402 119.175 118.700 0.122 0.000 2.359 262 N HA 0.002 4.742 4.740 0.000 0.000 0.261 262 N C 1.037 176.569 175.510 0.036 0.000 1.267 262 N CA 1.111 54.203 53.050 0.070 0.000 0.864 262 N CB 0.363 38.873 38.487 0.038 0.000 1.063 262 N HN 0.616 nan 8.380 nan 0.000 0.474 263 G N 2.986 111.782 108.800 -0.007 0.000 2.234 263 G HA2 -0.254 3.706 3.960 0.000 0.000 0.235 263 G HA3 -0.254 3.706 3.960 0.000 0.000 0.235 263 G C -0.097 174.680 174.900 -0.205 0.000 0.997 263 G CA -0.334 44.690 45.100 -0.127 0.000 0.623 263 G HN 0.550 nan 8.290 nan 0.000 0.514 264 F N 1.379 121.337 119.950 0.013 0.000 2.394 264 F HA 0.684 5.211 4.527 0.000 0.000 0.340 264 F C 0.613 176.432 175.800 0.030 0.000 1.105 264 F CA -0.279 57.733 58.000 0.021 0.000 1.124 264 F CB 1.737 40.756 39.000 0.032 0.000 1.145 264 F HN 0.002 nan 8.300 nan 0.000 0.505 265 K N 3.204 123.742 120.400 0.231 0.000 2.427 265 K HA 0.441 4.761 4.320 0.000 0.000 0.252 265 K C -0.942 175.762 176.600 0.174 0.000 0.931 265 K CA -1.066 55.328 56.287 0.179 0.000 0.793 265 K CB 1.646 34.208 32.500 0.102 0.000 1.211 265 K HN 0.586 nan 8.250 nan 0.000 0.426 266 M N 5.188 124.925 119.600 0.227 0.000 3.422 266 M HA 0.122 4.602 4.480 0.000 0.000 0.248 266 M C -1.231 175.104 176.300 0.059 0.000 1.433 266 M CA 0.225 55.615 55.300 0.150 0.000 1.592 266 M CB -0.805 31.973 32.600 0.297 0.000 1.078 266 M HN 0.660 nan 8.290 nan 0.000 0.578 267 D N -0.352 120.013 120.400 -0.058 0.000 3.236 267 D HA 0.368 5.008 4.640 0.000 0.000 0.325 267 D C 0.865 176.883 176.300 -0.470 0.000 1.352 267 D CA -0.104 53.808 54.000 -0.146 0.000 0.979 267 D CB -0.267 40.527 40.800 -0.010 0.000 1.410 267 D HN 0.117 nan 8.370 nan 0.000 0.588 268 G N -1.078 107.462 108.800 -0.433 0.000 2.559 268 G HA2 -0.082 3.878 3.960 0.000 0.000 0.216 268 G HA3 -0.082 3.878 3.960 0.000 0.000 0.216 268 G C 1.211 176.002 174.900 -0.181 0.000 1.126 268 G CA 1.610 46.381 45.100 -0.548 0.000 0.778 268 G HN 0.688 nan 8.290 nan 0.000 0.543 269 T N -2.008 112.493 114.554 -0.087 0.000 3.081 269 T HA 0.553 4.904 4.350 0.000 0.000 0.255 269 T C 1.323 176.065 174.700 0.070 0.000 1.113 269 T CA 0.520 62.637 62.100 0.028 0.000 1.082 269 T CB 0.147 69.028 68.868 0.022 0.000 0.939 269 T HN 0.324 nan 8.240 nan 0.000 0.506 270 A N 3.169 126.020 122.820 0.052 0.000 2.386 270 A HA 0.573 4.893 4.320 0.000 0.000 0.246 270 A C -1.958 175.712 177.584 0.143 0.000 1.089 270 A CA -1.451 50.655 52.037 0.114 0.000 0.790 270 A CB -0.135 18.906 19.000 0.068 0.000 1.042 270 A HN 0.358 nan 8.150 nan 0.000 0.497 271 P HA 0.313 nan 4.420 nan 0.000 0.274 271 P C -0.777 176.236 177.300 -0.478 0.000 1.246 271 P CA -0.083 62.894 63.100 -0.206 0.000 0.795 271 P CB 0.612 32.071 31.700 -0.401 0.000 1.006 272 R N -0.113 120.070 120.500 -0.528 0.000 2.832 272 R HA 0.350 4.691 4.340 0.000 0.000 0.271 272 R C 0.958 177.064 176.300 -0.322 0.000 0.996 272 R CA -0.611 55.071 56.100 -0.697 0.000 0.977 272 R CB 0.514 30.108 30.300 -1.177 0.000 1.168 272 R HN 0.364 nan 8.270 nan 0.000 0.482 273 Y N -0.004 120.224 120.300 -0.121 0.000 2.163 273 Y HA -0.071 4.479 4.550 0.000 0.000 0.288 273 Y C 0.864 176.519 175.900 -0.408 0.000 1.136 273 Y CA 1.139 59.156 58.100 -0.138 0.000 1.147 273 Y CB 0.200 38.569 38.460 -0.151 0.000 0.987 273 Y HN 0.445 nan 8.280 nan 0.000 0.509 274 D N -2.036 118.091 120.400 -0.455 0.000 2.780 274 D HA 0.119 4.759 4.640 0.000 0.000 0.242 274 D C -1.248 174.674 176.300 -0.630 0.000 1.135 274 D CA -0.617 53.054 54.000 -0.548 0.000 0.859 274 D CB 1.194 41.524 40.800 -0.783 0.000 1.530 274 D HN 0.021 nan 8.370 nan 0.000 0.493 275 Y N 1.345 121.439 120.300 -0.344 0.000 2.625 275 Y HA 0.345 4.895 4.550 0.000 0.000 0.285 275 Y C 1.227 176.808 175.900 -0.531 0.000 1.168 275 Y CA -0.213 57.660 58.100 -0.378 0.000 1.250 275 Y CB 1.212 39.513 38.460 -0.266 0.000 1.130 275 Y HN 0.432 nan 8.280 nan 0.000 0.526 276 G N -0.361 108.080 108.800 -0.599 0.000 3.377 276 G HA2 0.252 4.212 3.960 0.000 0.000 0.182 276 G HA3 0.252 4.212 3.960 0.000 0.000 0.182 276 G C -1.074 173.345 174.900 -0.801 0.000 1.166 276 G CA -0.740 43.606 45.100 -1.256 0.000 0.771 276 G HN -0.108 nan 8.290 nan 0.000 0.701 277 K N 0.108 120.177 120.400 -0.553 0.000 2.263 277 K HA 0.594 4.915 4.320 0.000 0.000 0.282 277 K C -2.037 174.528 176.600 -0.058 0.000 1.089 277 K CA -0.411 55.739 56.287 -0.229 0.000 0.907 277 K CB -0.059 32.360 32.500 -0.134 0.000 1.148 277 K HN 0.405 nan 8.250 nan 0.000 0.470 278 Y N 3.620 123.800 120.300 -0.200 0.000 2.357 278 Y HA 0.337 4.887 4.550 0.000 0.000 0.319 278 Y C -2.142 173.771 175.900 0.021 0.000 1.225 278 Y CA -0.835 57.198 58.100 -0.112 0.000 1.095 278 Y CB 0.899 39.290 38.460 -0.114 0.000 1.302 278 Y HN 0.604 nan 8.280 nan 0.000 0.429 279 Y N 3.389 123.457 120.300 -0.387 0.000 2.624 279 Y HA 0.548 5.098 4.550 0.000 0.000 0.334 279 Y C 0.087 176.003 175.900 0.027 0.000 1.155 279 Y CA -0.392 57.623 58.100 -0.142 0.000 1.046 279 Y CB 2.047 40.386 38.460 -0.202 0.000 1.316 279 Y HN 0.996 nan 8.280 nan 0.000 0.457 280 A N 1.825 124.445 122.820 -0.332 0.000 2.872 280 A HA -0.158 4.162 4.320 0.000 0.000 0.273 280 A C 0.187 177.782 177.584 0.018 0.000 1.442 280 A CA 0.986 52.990 52.037 -0.055 0.000 0.801 280 A CB -2.448 16.737 19.000 0.307 0.000 1.031 280 A HN 1.533 nan 8.150 nan 0.000 0.582 281 S N -0.873 114.825 115.700 -0.003 0.000 2.576 281 S HA 0.635 5.105 4.470 0.000 0.000 0.276 281 S C -0.224 174.491 174.600 0.191 0.000 1.339 281 S CA 0.399 58.656 58.200 0.095 0.000 1.039 281 S CB 1.761 65.102 63.200 0.235 0.000 0.902 281 S HN 1.030 nan 8.310 nan 0.000 0.516 282 K N 0.554 121.080 120.400 0.209 0.000 2.527 282 K HA 0.496 4.816 4.320 0.000 0.000 0.260 282 K C -0.883 175.860 176.600 0.239 0.000 0.937 282 K CA -0.513 55.912 56.287 0.231 0.000 0.826 282 K CB 2.024 34.644 32.500 0.200 0.000 1.359 282 K HN 0.932 nan 8.250 nan 0.000 0.434 283 T N -0.374 114.288 114.554 0.180 0.000 2.950 283 T HA 0.771 5.121 4.350 0.000 0.000 0.288 283 T C -0.417 174.450 174.700 0.279 0.000 1.035 283 T CA -0.737 61.401 62.100 0.065 0.000 1.028 283 T CB 0.726 69.350 68.868 -0.407 0.000 1.109 283 T HN 0.492 nan 8.240 nan 0.000 0.514 284 F N -0.788 119.203 119.950 0.069 0.000 2.662 284 F HA 0.762 5.289 4.527 0.000 0.000 0.312 284 F C -1.672 174.232 175.800 0.174 0.000 1.113 284 F CA -2.086 56.017 58.000 0.171 0.000 0.951 284 F CB 1.356 40.513 39.000 0.262 0.000 1.344 284 F HN 0.602 nan 8.300 nan 0.000 0.462 285 F N 3.100 123.079 119.950 0.049 0.000 2.375 285 F HA 0.313 4.840 4.527 0.000 0.000 0.362 285 F C 0.136 175.941 175.800 0.007 0.000 1.129 285 F CA -0.777 57.187 58.000 -0.061 0.000 1.154 285 F CB 0.060 39.105 39.000 0.075 0.000 1.205 285 F HN 0.599 nan 8.300 nan 0.000 0.513 286 D N 3.763 123.742 120.400 -0.702 0.000 2.383 286 D HA 0.014 4.654 4.640 0.000 0.000 0.245 286 D C 1.091 176.965 176.300 -0.712 0.000 1.263 286 D CA 0.306 54.074 54.000 -0.387 0.000 0.936 286 D CB 0.696 41.340 40.800 -0.259 0.000 1.053 286 D HN 0.544 nan 8.370 nan 0.000 0.507 287 S N 2.506 117.909 115.700 -0.495 0.000 2.481 287 S HA -0.079 4.391 4.470 0.000 0.000 0.231 287 S C 1.938 176.454 174.600 -0.140 0.000 0.996 287 S CA 0.416 58.406 58.200 -0.349 0.000 0.942 287 S CB 0.021 63.282 63.200 0.103 0.000 0.768 287 S HN 0.424 nan 8.310 nan 0.000 0.520 288 A N 2.001 124.767 122.820 -0.090 0.000 1.929 288 A HA 0.134 4.455 4.320 0.000 0.000 0.216 288 A C 1.911 179.466 177.584 -0.049 0.000 1.176 288 A CA 1.008 53.015 52.037 -0.050 0.000 0.628 288 A CB -0.186 18.785 19.000 -0.049 0.000 0.816 288 A HN 0.533 nan 8.150 nan 0.000 0.444 289 K N -1.388 118.966 120.400 -0.077 0.000 2.592 289 K HA 0.189 4.510 4.320 0.000 0.000 0.203 289 K C -0.528 175.995 176.600 -0.129 0.000 1.070 289 K CA -0.225 56.015 56.287 -0.078 0.000 1.062 289 K CB 0.403 32.876 32.500 -0.045 0.000 0.814 289 K HN 0.342 nan 8.250 nan 0.000 0.502 290 N N 2.717 121.299 118.700 -0.198 0.000 2.696 290 N HA -0.210 4.530 4.740 0.000 0.000 0.256 290 N C -1.456 173.961 175.510 -0.154 0.000 1.031 290 N CA 0.939 53.889 53.050 -0.167 0.000 0.730 290 N CB -0.575 37.904 38.487 -0.012 0.000 0.894 290 N HN 0.440 nan 8.380 nan 0.000 0.544 291 R N -1.272 119.052 120.500 -0.293 0.000 2.626 291 R HA 0.544 4.884 4.340 0.000 0.000 0.274 291 R C -0.756 175.381 176.300 -0.271 0.000 1.031 291 R CA -1.101 54.881 56.100 -0.197 0.000 0.898 291 R CB 1.605 31.796 30.300 -0.182 0.000 1.222 291 R HN 0.136 nan 8.270 nan 0.000 0.455 292 R N 2.687 123.101 120.500 -0.143 0.000 2.308 292 R HA 0.425 4.765 4.340 0.000 0.000 0.305 292 R C -0.768 175.331 176.300 -0.336 0.000 1.053 292 R CA -0.207 55.748 56.100 -0.242 0.000 0.957 292 R CB 0.755 30.927 30.300 -0.213 0.000 1.022 292 R HN 0.670 nan 8.270 nan 0.000 0.461 293 I N 5.145 125.406 120.570 -0.515 0.000 2.465 293 I HA 0.265 4.435 4.170 0.000 0.000 0.291 293 I C -1.112 174.809 176.117 -0.326 0.000 1.014 293 I CA -1.191 59.833 61.300 -0.461 0.000 1.093 293 I CB 1.980 39.619 38.000 -0.602 0.000 1.267 293 I HN 0.473 nan 8.210 nan 0.000 0.431 294 L N 6.538 127.584 121.223 -0.295 0.000 2.296 294 L HA 0.511 4.851 4.340 0.000 0.000 0.286 294 L C -1.517 175.264 176.870 -0.148 0.000 1.023 294 L CA -0.008 54.711 54.840 -0.201 0.000 0.812 294 L CB 0.942 42.809 42.059 -0.321 0.000 1.223 294 L HN 0.450 nan 8.230 nan 0.000 0.421 295 W N 3.683 125.007 121.300 0.039 0.000 2.570 295 W HA 0.745 5.405 4.660 0.000 0.000 0.337 295 W C 0.283 176.793 176.519 -0.016 0.000 1.067 295 W CA -0.499 56.864 57.345 0.030 0.000 1.229 295 W CB 2.296 31.758 29.460 0.003 0.000 1.355 295 W HN 0.737 nan 8.180 nan 0.000 0.555 296 G N 1.769 110.718 108.800 0.249 0.000 2.731 296 G HA2 0.374 4.334 3.960 0.000 0.000 0.298 296 G HA3 0.374 4.334 3.960 0.000 0.000 0.298 296 G C -2.559 172.291 174.900 -0.084 0.000 1.424 296 G CA -0.861 44.086 45.100 -0.254 0.000 1.029 296 G HN 0.454 nan 8.290 nan 0.000 0.518 297 W N 2.975 124.103 121.300 -0.287 0.000 2.338 297 W HA 0.677 5.338 4.660 0.000 0.000 0.307 297 W C -0.649 175.797 176.519 -0.122 0.000 1.167 297 W CA -0.823 56.438 57.345 -0.141 0.000 1.208 297 W CB 1.505 30.915 29.460 -0.084 0.000 1.228 297 W HN 0.371 nan 8.180 nan 0.000 0.499 298 T N 8.180 122.579 114.554 -0.257 0.000 2.842 298 T HA 0.140 4.490 4.350 0.000 0.000 0.308 298 T C 0.319 174.784 174.700 -0.392 0.000 1.041 298 T CA -0.723 61.148 62.100 -0.381 0.000 0.964 298 T CB 0.083 68.892 68.868 -0.097 0.000 0.972 298 T HN 0.522 nan 8.240 nan 0.000 0.460 299 N N 2.935 121.222 118.700 -0.688 0.000 2.327 299 N HA 0.109 4.849 4.740 0.000 0.000 0.257 299 N C -0.191 175.283 175.510 -0.060 0.000 1.281 299 N CA -0.478 52.415 53.050 -0.262 0.000 0.942 299 N CB 0.523 38.829 38.487 -0.302 0.000 1.199 299 N HN 0.299 nan 8.380 nan 0.000 0.532 300 E N -0.566 119.655 120.200 0.034 0.000 2.366 300 E HA 0.131 4.481 4.350 0.000 0.000 0.266 300 E C -0.078 176.563 176.600 0.069 0.000 1.051 300 E CA -0.155 56.298 56.400 0.089 0.000 0.884 300 E CB 0.675 30.361 29.700 -0.023 0.000 1.006 300 E HN 0.594 nan 8.360 nan 0.000 0.417 301 S N 0.363 116.178 115.700 0.192 0.000 2.540 301 S HA 0.018 4.488 4.470 0.000 0.000 0.218 301 S C 0.667 175.256 174.600 -0.019 0.000 0.977 301 S CA -0.226 58.056 58.200 0.137 0.000 0.918 301 S CB 0.208 63.533 63.200 0.209 0.000 0.806 301 S HN 0.525 nan 8.310 nan 0.000 0.496 302 S N 1.904 117.395 115.700 -0.349 0.000 2.652 302 S HA 0.525 4.995 4.470 0.000 0.000 0.270 302 S C 0.453 174.874 174.600 -0.299 0.000 1.243 302 S CA -0.676 57.173 58.200 -0.585 0.000 0.999 302 S CB 0.944 63.461 63.200 -1.138 0.000 0.973 302 S HN 0.332 nan 8.310 nan 0.000 0.544 303 S N 0.390 115.941 115.700 -0.248 0.000 2.580 303 S HA 0.084 4.554 4.470 0.000 0.000 0.266 303 S C 1.073 175.591 174.600 -0.136 0.000 1.354 303 S CA -0.266 57.844 58.200 -0.150 0.000 1.008 303 S CB 0.709 63.835 63.200 -0.123 0.000 0.898 303 S HN 1.112 nan 8.310 nan 0.000 0.555 304 V N 1.602 121.469 119.914 -0.078 0.000 2.490 304 V HA -0.134 3.986 4.120 0.000 0.000 0.250 304 V C 2.318 178.371 176.094 -0.068 0.000 1.061 304 V CA 2.434 64.703 62.300 -0.051 0.000 1.064 304 V CB -1.133 30.675 31.823 -0.024 0.000 0.670 304 V HN 0.975 nan 8.190 nan 0.000 0.461 305 E N 0.004 120.159 120.200 -0.075 0.000 2.077 305 E HA -0.212 4.138 4.350 0.000 0.000 0.193 305 E C 1.938 178.483 176.600 -0.092 0.000 0.989 305 E CA 1.767 58.125 56.400 -0.070 0.000 0.800 305 E CB -0.233 29.431 29.700 -0.060 0.000 0.746 305 E HN 0.623 nan 8.360 nan 0.000 0.452 306 D N 0.367 120.687 120.400 -0.134 0.000 2.144 306 D HA -0.124 4.516 4.640 0.000 0.000 0.200 306 D C 1.304 177.471 176.300 -0.222 0.000 0.978 306 D CA 0.950 54.845 54.000 -0.174 0.000 0.833 306 D CB -0.255 40.392 40.800 -0.254 0.000 0.961 306 D HN 0.124 nan 8.370 nan 0.000 0.470 307 D N -0.103 120.162 120.400 -0.225 0.000 2.084 307 D HA -0.105 4.535 4.640 0.000 0.000 0.194 307 D C 2.293 178.507 176.300 -0.144 0.000 0.990 307 D CA 0.544 54.403 54.000 -0.234 0.000 0.826 307 D CB -0.417 40.317 40.800 -0.109 0.000 0.971 307 D HN 0.045 nan 8.370 nan 0.000 0.453 308 V N 0.935 120.803 119.914 -0.077 0.000 2.287 308 V HA -0.236 3.884 4.120 0.000 0.000 0.248 308 V C 2.420 178.491 176.094 -0.038 0.000 1.053 308 V CA 1.899 64.176 62.300 -0.039 0.000 1.027 308 V CB -0.472 31.332 31.823 -0.032 0.000 0.646 308 V HN 0.258 nan 8.190 nan 0.000 0.447 309 E N 0.902 121.069 120.200 -0.055 0.000 2.051 309 E HA -0.268 4.082 4.350 0.000 0.000 0.192 309 E C 2.284 178.872 176.600 -0.020 0.000 0.991 309 E CA 1.640 58.020 56.400 -0.033 0.000 0.799 309 E CB -0.105 29.573 29.700 -0.037 0.000 0.748 309 E HN 0.751 nan 8.360 nan 0.000 0.449 310 K N -0.776 119.581 120.400 -0.072 0.000 2.366 310 K HA 0.016 4.336 4.320 0.000 0.000 0.198 310 K C 1.121 177.757 176.600 0.061 0.000 1.044 310 K CA 1.040 57.306 56.287 -0.036 0.000 0.973 310 K CB 0.197 32.594 32.500 -0.172 0.000 0.767 310 K HN 0.229 nan 8.250 nan 0.000 0.475 311 G N 1.568 110.374 108.800 0.011 0.000 2.132 311 G HA2 -0.193 3.767 3.960 0.000 0.000 0.228 311 G HA3 -0.193 3.767 3.960 0.000 0.000 0.228 311 G C -0.415 174.672 174.900 0.312 0.000 1.000 311 G CA 0.278 45.467 45.100 0.149 0.000 0.693 311 G HN 0.529 nan 8.290 nan 0.000 0.515 312 W N -2.080 119.279 121.300 0.097 0.000 3.059 312 W HA 0.756 5.416 4.660 0.000 0.000 0.329 312 W C -0.902 175.694 176.519 0.127 0.000 1.246 312 W CA -0.766 56.651 57.345 0.120 0.000 1.190 312 W CB 0.976 30.494 29.460 0.097 0.000 1.423 312 W HN 0.806 nan 8.180 nan 0.000 0.571 313 S N 1.010 116.943 115.700 0.388 0.000 2.605 313 S HA 0.615 5.085 4.470 0.000 0.000 0.279 313 S C -0.487 174.198 174.600 0.142 0.000 1.166 313 S CA 0.627 58.935 58.200 0.180 0.000 0.975 313 S CB 0.440 63.786 63.200 0.245 0.000 1.111 313 S HN 2.116 nan 8.310 nan 0.000 0.465 314 G N 3.418 112.358 108.800 0.233 0.000 2.911 314 G HA2 0.107 4.067 3.960 0.000 0.000 0.686 314 G HA3 0.107 4.067 3.960 0.000 0.000 0.686 314 G C -0.876 174.160 174.900 0.226 0.000 1.136 314 G CA -0.350 44.870 45.100 0.200 0.000 0.764 314 G HN 1.609 nan 8.290 nan 0.000 0.626 315 I N -1.780 118.927 120.570 0.229 0.000 3.145 315 I HA 0.856 5.026 4.170 0.000 0.000 0.313 315 I C -0.316 175.935 176.117 0.223 0.000 1.122 315 I CA -1.474 59.921 61.300 0.158 0.000 0.987 315 I CB 2.176 40.239 38.000 0.104 0.000 1.236 315 I HN 0.463 nan 8.210 nan 0.000 0.453 316 Q N 2.051 121.991 119.800 0.233 0.000 2.235 316 Q HA 0.369 4.709 4.340 0.000 0.000 0.256 316 Q C -0.210 176.001 176.000 0.352 0.000 0.951 316 Q CA -0.538 55.441 55.803 0.294 0.000 0.890 316 Q CB 1.909 30.843 28.738 0.326 0.000 1.279 316 Q HN 0.874 nan 8.270 nan 0.000 0.444 317 T N -1.994 112.763 114.554 0.338 0.000 2.766 317 T HA 0.299 4.649 4.350 0.000 0.000 0.295 317 T C 0.801 175.650 174.700 0.248 0.000 1.024 317 T CA -0.773 61.548 62.100 0.369 0.000 1.018 317 T CB 0.428 69.512 68.868 0.361 0.000 1.002 317 T HN 0.346 nan 8.240 nan 0.000 0.532 318 I N 2.692 123.328 120.570 0.111 0.000 2.668 318 I HA 0.170 4.340 4.170 0.000 0.000 0.285 318 I C -1.942 174.072 176.117 -0.172 0.000 1.168 318 I CA -2.486 58.763 61.300 -0.085 0.000 1.424 318 I CB -0.436 37.490 38.000 -0.123 0.000 1.377 318 I HN 0.521 nan 8.210 nan 0.000 0.560 319 P HA 0.059 nan 4.420 nan 0.000 0.265 319 P C -0.597 176.479 177.300 -0.374 0.000 1.187 319 P CA 0.134 62.830 63.100 -0.674 0.000 0.766 319 P CB 0.353 31.431 31.700 -1.036 0.000 0.820 320 R N 1.777 122.098 120.500 -0.299 0.000 2.534 320 R HA 0.456 4.796 4.340 0.000 0.000 0.301 320 R C -0.325 175.876 176.300 -0.164 0.000 0.961 320 R CA -1.119 54.868 56.100 -0.188 0.000 0.871 320 R CB 1.545 31.787 30.300 -0.097 0.000 1.170 320 R HN 0.354 nan 8.270 nan 0.000 0.446 321 K N 4.569 124.936 120.400 -0.055 0.000 2.412 321 K HA 0.203 4.523 4.320 0.000 0.000 0.281 321 K C -0.109 176.593 176.600 0.169 0.000 1.027 321 K CA -0.262 56.053 56.287 0.046 0.000 0.989 321 K CB 0.477 33.061 32.500 0.140 0.000 0.935 321 K HN 0.731 nan 8.250 nan 0.000 0.475 322 I N 1.523 122.154 120.570 0.101 0.000 2.785 322 I HA 0.809 4.979 4.170 0.000 0.000 0.302 322 I C -1.323 174.950 176.117 0.259 0.000 1.069 322 I CA -0.903 60.404 61.300 0.012 0.000 1.045 322 I CB 1.455 39.335 38.000 -0.201 0.000 1.236 322 I HN 0.954 nan 8.210 nan 0.000 0.429 323 W N 3.450 124.721 121.300 -0.048 0.000 2.895 323 W HA 0.603 5.263 4.660 0.000 0.000 0.377 323 W C -2.598 173.904 176.519 -0.029 0.000 1.191 323 W CA -1.168 56.157 57.345 -0.033 0.000 1.179 323 W CB 0.624 30.061 29.460 -0.038 0.000 1.469 323 W HN 0.531 nan 8.180 nan 0.000 0.577 324 L N 3.674 125.007 121.223 0.183 0.000 2.305 324 L HA 0.198 4.538 4.340 0.000 0.000 0.281 324 L C 0.415 177.313 176.870 0.047 0.000 1.085 324 L CA -0.385 54.481 54.840 0.044 0.000 0.813 324 L CB 0.444 42.536 42.059 0.054 0.000 1.157 324 L HN 0.603 nan 8.230 nan 0.000 0.436 325 D N 4.612 124.975 120.400 -0.061 0.000 2.358 325 D HA 0.018 4.658 4.640 0.000 0.000 0.244 325 D C 0.841 177.037 176.300 -0.173 0.000 1.163 325 D CA -0.396 53.560 54.000 -0.074 0.000 0.945 325 D CB 0.932 41.696 40.800 -0.059 0.000 1.152 325 D HN 0.507 nan 8.370 nan 0.000 0.451 326 R N 0.091 120.418 120.500 -0.288 0.000 2.140 326 R HA -0.182 4.158 4.340 0.000 0.000 0.250 326 R C 2.243 178.431 176.300 -0.185 0.000 1.150 326 R CA 2.316 58.118 56.100 -0.497 0.000 0.966 326 R CB -0.473 29.678 30.300 -0.249 0.000 0.869 326 R HN 0.666 nan 8.270 nan 0.000 0.445 327 S N -1.103 114.565 115.700 -0.054 0.000 2.522 327 S HA 0.085 4.555 4.470 0.000 0.000 0.227 327 S C 1.527 176.157 174.600 0.050 0.000 0.986 327 S CA 0.469 58.684 58.200 0.024 0.000 0.929 327 S CB 0.500 63.726 63.200 0.043 0.000 0.769 327 S HN 0.585 nan 8.310 nan 0.000 0.529 328 G N 1.629 110.449 108.800 0.034 0.000 2.168 328 G HA2 -0.314 3.646 3.960 0.000 0.000 0.263 328 G HA3 -0.314 3.646 3.960 0.000 0.000 0.263 328 G C 0.713 175.705 174.900 0.153 0.000 0.977 328 G CA 0.673 45.819 45.100 0.076 0.000 0.659 328 G HN 0.572 nan 8.290 nan 0.000 0.533 329 K N -0.191 120.313 120.400 0.173 0.000 2.361 329 K HA 0.201 4.521 4.320 0.000 0.000 0.194 329 K C 1.180 178.000 176.600 0.367 0.000 1.032 329 K CA 1.160 57.614 56.287 0.280 0.000 1.048 329 K CB 0.256 32.854 32.500 0.164 0.000 0.842 329 K HN 0.815 nan 8.250 nan 0.000 0.526 330 Q N -0.483 119.473 119.800 0.260 0.000 2.685 330 Q HA 0.407 4.747 4.340 0.000 0.000 0.301 330 Q C -1.304 174.786 176.000 0.150 0.000 0.924 330 Q CA -0.938 55.055 55.803 0.318 0.000 0.755 330 Q CB 0.999 29.908 28.738 0.285 0.000 1.470 330 Q HN -0.107 nan 8.270 nan 0.000 0.434 331 L N 0.961 122.253 121.223 0.116 0.000 2.360 331 L HA 0.547 4.888 4.340 0.000 0.000 0.271 331 L C -0.412 176.335 176.870 -0.204 0.000 1.057 331 L CA -1.179 53.573 54.840 -0.146 0.000 0.803 331 L CB 1.179 43.041 42.059 -0.329 0.000 1.207 331 L HN 0.550 nan 8.230 nan 0.000 0.445 332 I N 1.752 121.995 120.570 -0.546 0.000 2.412 332 I HA 0.390 4.560 4.170 0.000 0.000 0.296 332 I C -0.334 175.282 176.117 -0.835 0.000 0.987 332 I CA -0.454 60.398 61.300 -0.747 0.000 1.180 332 I CB 1.735 38.969 38.000 -1.277 0.000 1.340 332 I HN 0.664 nan 8.210 nan 0.000 0.455 333 Q N 5.271 124.835 119.800 -0.393 0.000 2.375 333 Q HA 0.505 4.846 4.340 0.000 0.000 0.271 333 Q C -1.448 174.629 176.000 0.129 0.000 1.074 333 Q CA -0.658 55.042 55.803 -0.172 0.000 0.808 333 Q CB 3.334 32.055 28.738 -0.029 0.000 1.327 333 Q HN 0.633 nan 8.270 nan 0.000 0.441 334 W N 2.899 124.112 121.300 -0.145 0.000 3.274 334 W HA 0.346 5.006 4.660 0.000 0.000 0.327 334 W C -2.960 173.417 176.519 -0.238 0.000 1.172 334 W CA -2.077 55.147 57.345 -0.202 0.000 1.217 334 W CB 1.964 31.454 29.460 0.051 0.000 1.376 334 W HN 0.434 nan 8.180 nan 0.000 0.507 335 P HA -0.084 nan 4.420 nan 0.000 0.264 335 P C 0.098 177.190 177.300 -0.348 0.000 1.183 335 P CA 0.298 63.050 63.100 -0.581 0.000 0.763 335 P CB 0.433 31.679 31.700 -0.758 0.000 0.807 336 V N 2.448 122.221 119.914 -0.235 0.000 2.814 336 V HA -0.017 4.103 4.120 0.000 0.000 0.307 336 V C 1.491 177.487 176.094 -0.163 0.000 1.089 336 V CA 0.125 62.324 62.300 -0.168 0.000 1.212 336 V CB -0.019 31.679 31.823 -0.208 0.000 0.912 336 V HN 0.491 nan 8.190 nan 0.000 0.497 337 R N 1.702 122.140 120.500 -0.103 0.000 2.189 337 R HA -0.095 4.245 4.340 0.000 0.000 0.223 337 R C 1.871 178.089 176.300 -0.136 0.000 1.092 337 R CA 1.434 57.474 56.100 -0.100 0.000 0.989 337 R CB -0.134 30.133 30.300 -0.055 0.000 0.876 337 R HN 0.878 nan 8.270 nan 0.000 0.457 338 E N 0.707 120.826 120.200 -0.134 0.000 2.160 338 E HA -0.159 4.191 4.350 0.000 0.000 0.195 338 E C 1.876 178.384 176.600 -0.154 0.000 0.991 338 E CA 0.891 57.212 56.400 -0.132 0.000 0.810 338 E CB -0.284 29.341 29.700 -0.124 0.000 0.742 338 E HN 0.032 nan 8.360 nan 0.000 0.466 339 V N 1.076 120.886 119.914 -0.172 0.000 2.469 339 V HA -0.310 3.810 4.120 0.000 0.000 0.251 339 V C 1.513 177.450 176.094 -0.262 0.000 1.064 339 V CA 2.014 64.195 62.300 -0.197 0.000 1.066 339 V CB -0.232 31.475 31.823 -0.194 0.000 0.667 339 V HN 0.312 nan 8.190 nan 0.000 0.461 340 E N -0.585 119.454 120.200 -0.268 0.000 2.338 340 E HA -0.201 4.149 4.350 0.000 0.000 0.197 340 E C 2.267 178.689 176.600 -0.297 0.000 1.007 340 E CA 0.753 56.953 56.400 -0.334 0.000 0.849 340 E CB -0.145 29.361 29.700 -0.322 0.000 0.774 340 E HN 0.607 nan 8.360 nan 0.000 0.506 341 R N 0.387 120.755 120.500 -0.219 0.000 2.152 341 R HA -0.066 4.274 4.340 0.000 0.000 0.232 341 R C 2.147 178.341 176.300 -0.176 0.000 1.117 341 R CA 0.714 56.710 56.100 -0.173 0.000 0.981 341 R CB -0.196 30.025 30.300 -0.131 0.000 0.870 341 R HN 0.204 nan 8.270 nan 0.000 0.451 342 L N 0.496 121.589 121.223 -0.217 0.000 2.291 342 L HA -0.050 4.290 4.340 0.000 0.000 0.214 342 L C 0.739 177.477 176.870 -0.220 0.000 1.120 342 L CA 0.514 55.219 54.840 -0.225 0.000 0.799 342 L CB -0.274 41.586 42.059 -0.331 0.000 0.925 342 L HN 0.046 nan 8.230 nan 0.000 0.446 343 R N 0.636 120.981 120.500 -0.258 0.000 2.538 343 R HA 0.005 4.345 4.340 0.000 0.000 0.282 343 R C 0.574 176.830 176.300 -0.072 0.000 1.009 343 R CA 0.063 56.036 56.100 -0.211 0.000 1.063 343 R CB 0.232 30.236 30.300 -0.494 0.000 0.945 343 R HN -0.064 nan 8.270 nan 0.000 0.414 344 T N 2.157 116.735 114.554 0.040 0.000 2.932 344 T HA -0.007 4.343 4.350 0.000 0.000 0.312 344 T C 1.448 176.215 174.700 0.112 0.000 1.071 344 T CA -0.534 61.605 62.100 0.064 0.000 1.128 344 T CB 0.557 69.471 68.868 0.077 0.000 0.984 344 T HN 0.532 nan 8.240 nan 0.000 0.549 345 K N 2.920 123.358 120.400 0.065 0.000 2.063 345 K HA -0.075 4.245 4.320 0.000 0.000 0.208 345 K C 0.630 177.292 176.600 0.104 0.000 1.048 345 K CA 1.202 57.530 56.287 0.068 0.000 0.928 345 K CB -0.252 32.268 32.500 0.033 0.000 0.713 345 K HN 0.571 nan 8.250 nan 0.000 0.442 346 Q N 2.064 121.914 119.800 0.083 0.000 2.337 346 Q HA 0.220 4.560 4.340 0.000 0.000 0.255 346 Q C -0.378 175.654 176.000 0.054 0.000 0.997 346 Q CA -0.220 55.618 55.803 0.058 0.000 0.925 346 Q CB 1.457 30.210 28.738 0.025 0.000 1.212 346 Q HN 0.013 nan 8.270 nan 0.000 0.436 347 V N 3.107 123.030 119.914 0.015 0.000 2.785 347 V HA 0.241 4.361 4.120 0.000 0.000 0.300 347 V C -0.232 175.725 176.094 -0.229 0.000 1.062 347 V CA -0.461 61.705 62.300 -0.224 0.000 1.029 347 V CB 1.505 33.126 31.823 -0.337 0.000 1.024 347 V HN 0.615 nan 8.190 nan 0.000 0.477 348 K N 5.911 126.118 120.400 -0.323 0.000 2.281 348 K HA 0.365 4.686 4.320 0.000 0.000 0.272 348 K C -0.392 176.051 176.600 -0.261 0.000 1.048 348 K CA 0.025 56.181 56.287 -0.219 0.000 0.898 348 K CB 0.413 32.814 32.500 -0.166 0.000 1.128 348 K HN 0.801 nan 8.250 nan 0.000 0.460 349 N N 5.410 124.002 118.700 -0.179 0.000 2.362 349 N HA 0.423 5.163 4.740 0.000 0.000 0.298 349 N C -1.362 174.083 175.510 -0.109 0.000 1.048 349 N CA -0.514 52.437 53.050 -0.165 0.000 0.858 349 N CB 0.780 39.190 38.487 -0.129 0.000 1.218 349 N HN 0.482 nan 8.380 nan 0.000 0.488 350 L N 3.683 124.839 121.223 -0.111 0.000 2.406 350 L HA 0.538 4.878 4.340 0.000 0.000 0.272 350 L C -0.429 176.393 176.870 -0.080 0.000 0.980 350 L CA -0.875 53.918 54.840 -0.078 0.000 0.831 350 L CB 1.971 43.986 42.059 -0.074 0.000 1.253 350 L HN 0.547 nan 8.230 nan 0.000 0.406 351 R N 2.028 122.493 120.500 -0.058 0.000 2.744 351 R HA 0.545 4.885 4.340 0.000 0.000 0.279 351 R C -0.514 175.761 176.300 -0.042 0.000 0.977 351 R CA -0.888 55.179 56.100 -0.055 0.000 0.906 351 R CB 1.274 31.547 30.300 -0.046 0.000 1.197 351 R HN 0.607 nan 8.270 nan 0.000 0.463 352 N N 0.936 119.609 118.700 -0.044 0.000 2.740 352 N HA -0.138 4.602 4.740 0.000 0.000 0.248 352 N C -1.082 174.412 175.510 -0.025 0.000 1.062 352 N CA 1.055 54.085 53.050 -0.033 0.000 0.704 352 N CB -0.531 37.941 38.487 -0.025 0.000 0.968 352 N HN 0.621 nan 8.380 nan 0.000 0.547 353 K N 0.632 121.015 120.400 -0.029 0.000 2.143 353 K HA 0.482 4.802 4.320 0.000 0.000 0.272 353 K C 0.337 176.931 176.600 -0.009 0.000 1.001 353 K CA -0.584 55.695 56.287 -0.013 0.000 0.915 353 K CB 1.898 34.393 32.500 -0.009 0.000 1.047 353 K HN -0.105 nan 8.250 nan 0.000 0.458 354 V N 4.407 124.321 119.914 -0.000 0.000 2.347 354 V HA 0.269 4.389 4.120 0.000 0.000 0.280 354 V C 0.159 176.260 176.094 0.013 0.000 1.021 354 V CA -0.787 61.512 62.300 -0.002 0.000 0.847 354 V CB 0.898 32.718 31.823 -0.005 0.000 0.990 354 V HN 0.516 nan 8.190 nan 0.000 0.444 355 L N 6.210 127.441 121.223 0.013 0.000 2.282 355 L HA 0.381 4.721 4.340 0.000 0.000 0.287 355 L C 0.456 177.333 176.870 0.011 0.000 1.075 355 L CA -0.498 54.359 54.840 0.028 0.000 0.839 355 L CB 0.512 42.595 42.059 0.041 0.000 1.219 355 L HN 0.614 nan 8.230 nan 0.000 0.434 356 K N 1.343 121.759 120.400 0.027 0.000 2.143 356 K HA 0.165 4.485 4.320 0.000 0.000 0.239 356 K C 0.480 177.106 176.600 0.045 0.000 1.048 356 K CA -0.483 55.820 56.287 0.027 0.000 0.867 356 K CB 0.263 32.783 32.500 0.032 0.000 1.088 356 K HN 0.333 nan 8.250 nan 0.000 0.510 357 S N 0.153 115.882 115.700 0.048 0.000 2.525 357 S HA 0.281 4.751 4.470 0.000 0.000 0.285 357 S C 1.047 175.692 174.600 0.074 0.000 1.283 357 S CA 0.790 59.026 58.200 0.059 0.000 1.072 357 S CB -0.899 62.340 63.200 0.066 0.000 0.867 357 S HN 0.828 nan 8.310 nan 0.000 0.492 358 G N 3.280 112.164 108.800 0.141 0.000 2.159 358 G HA2 -0.248 3.712 3.960 0.000 0.000 0.256 358 G HA3 -0.248 3.712 3.960 0.000 0.000 0.256 358 G C 0.097 175.127 174.900 0.217 0.000 0.977 358 G CA 0.317 45.501 45.100 0.140 0.000 0.652 358 G HN 1.543 nan 8.290 nan 0.000 0.531 359 S N -0.449 115.390 115.700 0.231 0.000 2.617 359 S HA 0.865 5.335 4.470 0.000 0.000 0.283 359 S C 0.070 174.807 174.600 0.229 0.000 1.189 359 S CA -0.027 58.282 58.200 0.181 0.000 1.036 359 S CB 1.986 65.252 63.200 0.110 0.000 1.014 359 S HN 1.155 nan 8.310 nan 0.000 0.522 360 R N 0.334 120.943 120.500 0.181 0.000 2.837 360 R HA 0.824 5.164 4.340 0.000 0.000 0.271 360 R C -1.970 174.438 176.300 0.180 0.000 0.993 360 R CA -1.166 55.044 56.100 0.183 0.000 0.931 360 R CB 1.014 31.376 30.300 0.104 0.000 1.206 360 R HN 0.513 nan 8.270 nan 0.000 0.474 361 L N 1.055 122.407 121.223 0.216 0.000 2.404 361 L HA 0.377 4.717 4.340 0.000 0.000 0.272 361 L C -0.752 176.184 176.870 0.109 0.000 0.980 361 L CA -0.454 54.474 54.840 0.148 0.000 0.836 361 L CB 1.974 44.086 42.059 0.088 0.000 1.238 361 L HN 0.869 nan 8.230 nan 0.000 0.408 362 E N 3.218 123.398 120.200 -0.034 0.000 2.338 362 E HA 0.376 4.726 4.350 0.000 0.000 0.272 362 E C -1.156 175.016 176.600 -0.712 0.000 1.029 362 E CA -0.521 55.567 56.400 -0.519 0.000 0.872 362 E CB 1.098 30.344 29.700 -0.757 0.000 1.015 362 E HN 0.514 nan 8.360 nan 0.000 0.417 363 V N 6.373 125.930 119.914 -0.595 0.000 2.353 363 V HA 0.147 4.267 4.120 0.000 0.000 0.264 363 V C -0.557 175.292 176.094 -0.409 0.000 1.049 363 V CA -0.291 61.767 62.300 -0.403 0.000 0.896 363 V CB -0.488 31.196 31.823 -0.231 0.000 1.025 363 V HN 0.591 nan 8.190 nan 0.000 0.475 364 Y N 1.962 122.210 120.300 -0.088 0.000 2.326 364 Y HA 0.589 5.139 4.550 0.000 0.000 0.324 364 Y C 1.565 177.424 175.900 -0.069 0.000 1.291 364 Y CA 0.454 58.512 58.100 -0.069 0.000 1.348 364 Y CB 1.193 39.628 38.460 -0.041 0.000 1.294 364 Y HN 0.730 nan 8.280 nan 0.000 0.525 365 G N -0.011 108.869 108.800 0.133 0.000 2.159 365 G HA2 -0.258 3.702 3.960 0.000 0.000 0.256 365 G HA3 -0.258 3.702 3.960 0.000 0.000 0.256 365 G C -0.601 174.304 174.900 0.007 0.000 0.977 365 G CA 0.168 45.297 45.100 0.049 0.000 0.652 365 G HN 0.660 nan 8.290 nan 0.000 0.531 366 V N 1.250 121.157 119.914 -0.012 0.000 2.769 366 V HA 0.813 4.933 4.120 0.000 0.000 0.312 366 V C 0.928 177.005 176.094 -0.028 0.000 1.058 366 V CA 0.342 62.627 62.300 -0.025 0.000 0.952 366 V CB 1.924 33.719 31.823 -0.045 0.000 1.019 366 V HN 0.987 nan 8.190 nan 0.000 0.445 367 T N 3.704 118.251 114.554 -0.013 0.000 2.978 367 T HA 0.376 4.727 4.350 0.000 0.000 0.278 367 T C 0.956 175.640 174.700 -0.028 0.000 0.945 367 T CA 0.188 62.279 62.100 -0.015 0.000 1.070 367 T CB 0.720 69.594 68.868 0.011 0.000 0.948 367 T HN 1.107 nan 8.240 nan 0.000 0.617 368 A N 2.978 125.763 122.820 -0.059 0.000 2.119 368 A HA 0.422 4.742 4.320 0.000 0.000 0.217 368 A C 2.323 179.881 177.584 -0.044 0.000 1.153 368 A CA 0.706 52.709 52.037 -0.057 0.000 0.692 368 A CB -0.542 18.399 19.000 -0.098 0.000 0.799 368 A HN 1.072 nan 8.150 nan 0.000 0.458 369 A N -1.690 121.086 122.820 -0.074 0.000 2.275 369 A HA 0.349 4.669 4.320 0.000 0.000 0.212 369 A C 0.835 178.213 177.584 -0.344 0.000 1.201 369 A CA 0.528 52.470 52.037 -0.158 0.000 0.843 369 A CB -0.099 18.835 19.000 -0.110 0.000 0.873 369 A HN 0.478 nan 8.150 nan 0.000 0.492 370 Q N -0.452 119.266 119.800 -0.138 0.000 3.891 370 Q HA 0.555 4.895 4.340 0.000 0.000 0.190 370 Q C -1.173 174.894 176.000 0.111 0.000 0.886 370 Q CA -0.037 55.773 55.803 0.012 0.000 0.747 370 Q CB 0.745 29.495 28.738 0.021 0.000 1.476 370 Q HN 0.469 nan 8.270 nan 0.000 0.452 371 A N 1.447 124.357 122.820 0.151 0.000 2.587 371 A HA 0.708 5.028 4.320 0.000 0.000 0.293 371 A C -1.827 175.852 177.584 0.159 0.000 1.087 371 A CA -0.653 51.452 52.037 0.114 0.000 0.692 371 A CB 1.996 21.041 19.000 0.076 0.000 1.291 371 A HN 0.437 nan 8.150 nan 0.000 0.407 372 D N 0.371 120.870 120.400 0.165 0.000 2.308 372 D HA 0.496 5.137 4.640 0.000 0.000 0.242 372 D C -1.434 175.059 176.300 0.322 0.000 1.059 372 D CA 0.082 54.211 54.000 0.216 0.000 0.830 372 D CB 1.790 42.669 40.800 0.133 0.000 1.161 372 D HN 0.716 nan 8.370 nan 0.000 0.494 373 V N 3.361 123.426 119.914 0.252 0.000 2.525 373 V HA 0.501 4.621 4.120 0.000 0.000 0.299 373 V C -1.074 175.154 176.094 0.222 0.000 1.034 373 V CA -0.483 61.931 62.300 0.189 0.000 0.863 373 V CB 1.582 33.465 31.823 0.100 0.000 0.999 373 V HN 0.524 nan 8.190 nan 0.000 0.423 374 E N 3.944 124.285 120.200 0.235 0.000 2.207 374 E HA 0.761 5.111 4.350 0.000 0.000 0.270 374 E C -1.463 175.197 176.600 0.100 0.000 0.927 374 E CA -0.623 55.922 56.400 0.241 0.000 0.799 374 E CB 2.660 32.581 29.700 0.368 0.000 1.172 374 E HN 0.615 nan 8.360 nan 0.000 0.404 375 V N 4.029 124.000 119.914 0.095 0.000 2.891 375 V HA 0.387 4.507 4.120 0.000 0.000 0.304 375 V C -1.799 174.250 176.094 -0.074 0.000 1.171 375 V CA -0.594 61.661 62.300 -0.074 0.000 0.943 375 V CB 1.574 33.280 31.823 -0.194 0.000 1.037 375 V HN 0.553 nan 8.190 nan 0.000 0.427 376 L N 6.164 127.280 121.223 -0.177 0.000 2.307 376 L HA 0.633 4.973 4.340 0.000 0.000 0.284 376 L C -1.159 175.541 176.870 -0.283 0.000 1.023 376 L CA -0.357 54.420 54.840 -0.106 0.000 0.810 376 L CB 1.732 43.766 42.059 -0.042 0.000 1.231 376 L HN 0.559 nan 8.230 nan 0.000 0.423 377 F N 2.142 122.136 119.950 0.073 0.000 2.480 377 F HA 0.495 5.022 4.527 0.000 0.000 0.329 377 F C 0.140 175.895 175.800 -0.075 0.000 1.091 377 F CA -0.700 57.300 58.000 -0.000 0.000 0.972 377 F CB 1.865 40.925 39.000 0.100 0.000 1.150 377 F HN 0.260 nan 8.300 nan 0.000 0.467 378 K N 3.090 123.518 120.400 0.046 0.000 2.463 378 K HA 0.643 4.963 4.320 0.000 0.000 0.255 378 K C -1.372 175.150 176.600 -0.130 0.000 0.942 378 K CA -0.761 55.501 56.287 -0.040 0.000 0.814 378 K CB 1.507 33.985 32.500 -0.038 0.000 1.122 378 K HN 0.546 nan 8.250 nan 0.000 0.425 379 V N 2.202 122.012 119.914 -0.172 0.000 2.607 379 V HA 0.425 4.545 4.120 0.000 0.000 0.289 379 V C 0.787 176.788 176.094 -0.156 0.000 1.053 379 V CA -0.469 61.703 62.300 -0.213 0.000 0.996 379 V CB 1.550 33.236 31.823 -0.228 0.000 0.995 379 V HN 0.833 nan 8.190 nan 0.000 0.476 380 R N 1.031 121.452 120.500 -0.133 0.000 2.103 380 R HA 0.210 4.550 4.340 0.000 0.000 0.212 380 R C -0.039 176.205 176.300 -0.093 0.000 1.107 380 R CA 0.598 56.641 56.100 -0.094 0.000 1.025 380 R CB 0.124 30.383 30.300 -0.069 0.000 0.929 380 R HN 0.789 nan 8.270 nan 0.000 0.456 381 D N 1.806 122.151 120.400 -0.092 0.000 2.505 381 D HA 0.152 4.792 4.640 0.000 0.000 0.242 381 D C 1.068 177.310 176.300 -0.096 0.000 1.136 381 D CA -0.052 53.906 54.000 -0.070 0.000 0.954 381 D CB 1.271 42.049 40.800 -0.036 0.000 1.002 381 D HN -0.011 nan 8.370 nan 0.000 0.512 382 L N 1.198 122.322 121.223 -0.166 0.000 2.093 382 L HA -0.208 4.132 4.340 0.000 0.000 0.208 382 L C 1.974 178.825 176.870 -0.033 0.000 1.085 382 L CA 1.200 55.874 54.840 -0.277 0.000 0.755 382 L CB 0.048 41.721 42.059 -0.644 0.000 0.904 382 L HN 0.171 nan 8.230 nan 0.000 0.435 383 E N -0.518 119.711 120.200 0.048 0.000 2.333 383 E HA -0.182 4.168 4.350 0.000 0.000 0.198 383 E C 1.666 178.323 176.600 0.094 0.000 1.007 383 E CA 0.705 57.183 56.400 0.129 0.000 0.845 383 E CB -0.328 29.428 29.700 0.094 0.000 0.766 383 E HN 0.194 nan 8.360 nan 0.000 0.507 384 K N 0.708 121.140 120.400 0.054 0.000 2.439 384 K HA 0.183 4.503 4.320 0.000 0.000 0.197 384 K C 0.697 177.339 176.600 0.070 0.000 1.041 384 K CA 0.647 56.961 56.287 0.045 0.000 0.970 384 K CB -0.231 32.283 32.500 0.023 0.000 0.773 384 K HN 0.244 nan 8.250 nan 0.000 0.479 385 A N 2.387 125.268 122.820 0.102 0.000 2.520 385 A HA -0.009 4.311 4.320 0.000 0.000 0.235 385 A C -0.104 177.563 177.584 0.139 0.000 1.065 385 A CA 0.027 52.137 52.037 0.122 0.000 0.764 385 A CB 0.135 19.251 19.000 0.193 0.000 1.002 385 A HN 0.172 nan 8.150 nan 0.000 0.502 386 D N 1.192 121.675 120.400 0.137 0.000 2.345 386 D HA 0.232 4.872 4.640 0.000 0.000 0.247 386 D C -0.165 176.266 176.300 0.218 0.000 1.108 386 D CA -0.115 53.986 54.000 0.169 0.000 0.894 386 D CB 1.192 42.118 40.800 0.211 0.000 1.203 386 D HN 0.208 nan 8.370 nan 0.000 0.430 387 V N 3.378 123.358 119.914 0.111 0.000 2.485 387 V HA -0.011 4.109 4.120 0.000 0.000 0.287 387 V C 0.898 176.992 176.094 -0.000 0.000 1.022 387 V CA -0.137 62.191 62.300 0.046 0.000 1.067 387 V CB 0.547 32.356 31.823 -0.023 0.000 0.967 387 V HN 0.442 nan 8.190 nan 0.000 0.479 388 I N 4.412 124.962 120.570 -0.034 0.000 2.634 388 I HA 0.153 4.323 4.170 0.000 0.000 0.284 388 I C 0.908 176.784 176.117 -0.401 0.000 1.124 388 I CA -0.292 60.824 61.300 -0.307 0.000 1.417 388 I CB 0.545 38.318 38.000 -0.377 0.000 1.396 388 I HN 0.605 nan 8.210 nan 0.000 0.571 389 E N 8.199 127.958 120.200 -0.734 0.000 2.415 389 E HA 0.029 4.379 4.350 0.000 0.000 0.263 389 E C -1.762 174.621 176.600 -0.362 0.000 0.995 389 E CA -1.269 54.723 56.400 -0.680 0.000 0.915 389 E CB 0.580 29.506 29.700 -1.289 0.000 0.951 389 E HN 0.451 nan 8.360 nan 0.000 0.449 390 P HA -0.148 nan 4.420 nan 0.000 0.217 390 P C 1.225 178.511 177.300 -0.024 0.000 1.150 390 P CA 1.294 64.332 63.100 -0.104 0.000 0.832 390 P CB 0.192 31.843 31.700 -0.081 0.000 0.787 391 S N -3.323 112.384 115.700 0.011 0.000 2.561 391 S HA -0.076 4.394 4.470 0.000 0.000 0.225 391 S C 0.340 175.120 174.600 0.300 0.000 0.977 391 S CA -0.049 58.228 58.200 0.128 0.000 0.926 391 S CB -0.959 62.322 63.200 0.135 0.000 0.769 391 S HN 0.060 nan 8.310 nan 0.000 0.533 392 W N 3.915 125.196 121.300 -0.031 0.000 2.290 392 W HA 0.421 5.081 4.660 0.000 0.000 0.408 392 W C 1.221 177.764 176.519 0.040 0.000 0.966 392 W CA -0.776 56.560 57.345 -0.015 0.000 1.579 392 W CB -0.714 28.701 29.460 -0.075 0.000 1.662 392 W HN 0.418 nan 8.180 nan 0.000 0.341 393 T N -3.273 111.428 114.554 0.245 0.000 3.001 393 T HA 0.010 4.360 4.350 0.000 0.000 0.251 393 T C 0.091 174.952 174.700 0.269 0.000 1.040 393 T CA -0.017 62.218 62.100 0.224 0.000 0.985 393 T CB 0.364 69.308 68.868 0.127 0.000 1.011 393 T HN 0.042 nan 8.240 nan 0.000 0.509 394 D N 3.139 123.625 120.400 0.143 0.000 2.412 394 D HA 0.296 4.936 4.640 0.000 0.000 0.224 394 D C -1.493 174.732 176.300 -0.126 0.000 1.093 394 D CA -2.525 51.492 54.000 0.028 0.000 0.850 394 D CB 2.139 42.935 40.800 -0.006 0.000 1.046 394 D HN 0.012 nan 8.370 nan 0.000 0.507 395 P HA -0.185 nan 4.420 nan 0.000 0.217 395 P C 1.359 178.433 177.300 -0.378 0.000 1.150 395 P CA 0.960 63.638 63.100 -0.703 0.000 0.832 395 P CB 0.485 31.449 31.700 -1.226 0.000 0.787 396 Q N 0.031 119.682 119.800 -0.250 0.000 2.050 396 Q HA -0.122 4.218 4.340 0.000 0.000 0.202 396 Q C 2.316 178.229 176.000 -0.145 0.000 0.980 396 Q CA 1.375 57.089 55.803 -0.149 0.000 0.840 396 Q CB -0.575 28.131 28.738 -0.054 0.000 0.898 396 Q HN 0.194 nan 8.270 nan 0.000 0.424 397 L N 0.281 121.415 121.223 -0.147 0.000 2.275 397 L HA -0.141 4.200 4.340 0.000 0.000 0.215 397 L C 2.221 178.939 176.870 -0.254 0.000 1.119 397 L CA 0.465 55.205 54.840 -0.167 0.000 0.790 397 L CB -0.255 41.714 42.059 -0.150 0.000 0.919 397 L HN 0.335 nan 8.230 nan 0.000 0.443 398 I N -0.820 119.577 120.570 -0.288 0.000 2.163 398 I HA -0.295 3.875 4.170 0.000 0.000 0.240 398 I C 2.630 178.638 176.117 -0.183 0.000 1.081 398 I CA 1.081 62.171 61.300 -0.350 0.000 1.353 398 I CB -0.469 37.395 38.000 -0.228 0.000 1.054 398 I HN 0.310 nan 8.210 nan 0.000 0.407 399 c N 0.200 118.723 118.600 -0.128 0.000 2.403 399 c HA -0.158 4.412 4.570 0.000 0.000 0.277 399 c C 3.172 177.229 174.090 -0.055 0.000 1.248 399 c CA 1.165 57.455 56.329 -0.064 0.000 1.762 399 c CB -1.173 41.256 42.510 -0.135 0.000 2.014 399 c HN 0.493 nan 8.230 nan 0.000 0.486 400 S N 0.396 116.035 115.700 -0.103 0.000 2.382 400 S HA -0.156 4.314 4.470 0.000 0.000 0.228 400 S C 1.863 176.414 174.600 -0.081 0.000 1.027 400 S CA 1.451 59.596 58.200 -0.093 0.000 0.991 400 S CB -0.137 63.001 63.200 -0.103 0.000 0.823 400 S HN 0.691 nan 8.310 nan 0.000 0.469 401 K N 0.045 120.375 120.400 -0.117 0.000 2.284 401 K HA 0.273 4.593 4.320 0.000 0.000 0.198 401 K C 0.356 176.927 176.600 -0.048 0.000 1.048 401 K CA 0.418 56.643 56.287 -0.105 0.000 0.987 401 K CB 0.160 32.549 32.500 -0.184 0.000 0.800 401 K HN 0.255 nan 8.250 nan 0.000 0.486 402 M N 3.179 122.762 119.600 -0.029 0.000 2.852 402 M HA 0.117 4.597 4.480 0.000 0.000 0.321 402 M C -0.703 175.662 176.300 0.109 0.000 1.337 402 M CA -0.586 54.757 55.300 0.073 0.000 1.406 402 M CB 0.025 32.720 32.600 0.157 0.000 1.152 402 M HN 0.152 nan 8.290 nan 0.000 0.508 403 N N 0.119 118.863 118.700 0.073 0.000 2.317 403 N HA 0.143 4.883 4.740 0.000 0.000 0.245 403 N C 1.099 176.642 175.510 0.055 0.000 1.294 403 N CA -0.744 52.356 53.050 0.083 0.000 0.924 403 N CB 0.551 39.064 38.487 0.044 0.000 1.186 403 N HN 0.275 nan 8.380 nan 0.000 0.495 404 V N -2.957 116.975 119.914 0.029 0.000 2.568 404 V HA -0.234 3.886 4.120 0.000 0.000 0.253 404 V C 1.947 178.083 176.094 0.070 0.000 1.072 404 V CA 1.951 64.218 62.300 -0.054 0.000 1.084 404 V CB -1.480 30.324 31.823 -0.031 0.000 0.676 404 V HN 0.842 nan 8.190 nan 0.000 0.469 405 S N -0.183 115.540 115.700 0.040 0.000 2.522 405 S HA 0.120 4.590 4.470 0.000 0.000 0.227 405 S C 0.768 175.355 174.600 -0.023 0.000 0.986 405 S CA 0.425 58.615 58.200 -0.016 0.000 0.929 405 S CB -0.647 62.534 63.200 -0.031 0.000 0.769 405 S HN 0.464 nan 8.310 nan 0.000 0.529 406 V N 3.321 123.240 119.914 0.008 0.000 2.372 406 V HA 0.264 4.384 4.120 0.000 0.000 0.261 406 V C 0.247 176.340 176.094 -0.000 0.000 1.055 406 V CA -0.604 61.710 62.300 0.024 0.000 0.930 406 V CB 0.350 32.216 31.823 0.072 0.000 1.031 406 V HN 0.359 nan 8.190 nan 0.000 0.479 407 K N 3.423 123.780 120.400 -0.073 0.000 2.295 407 K HA 0.521 4.842 4.320 0.000 0.000 0.270 407 K C 0.385 176.948 176.600 -0.061 0.000 1.011 407 K CA -0.099 56.057 56.287 -0.218 0.000 0.953 407 K CB 0.981 33.068 32.500 -0.690 0.000 0.956 407 K HN 0.840 nan 8.250 nan 0.000 0.477 408 S N -0.515 115.159 115.700 -0.043 0.000 2.697 408 S HA 0.435 4.905 4.470 0.000 0.000 0.289 408 S C 1.075 175.777 174.600 0.171 0.000 1.149 408 S CA -0.603 57.671 58.200 0.123 0.000 0.850 408 S CB 1.314 64.551 63.200 0.062 0.000 1.151 408 S HN 0.636 nan 8.310 nan 0.000 0.491 409 G N 0.423 109.349 108.800 0.209 0.000 2.628 409 G HA2 -0.019 3.941 3.960 0.000 0.000 0.217 409 G HA3 -0.019 3.941 3.960 0.000 0.000 0.217 409 G C 0.136 175.103 174.900 0.112 0.000 1.240 409 G CA 0.783 45.995 45.100 0.187 0.000 0.792 409 G HN 0.563 nan 8.290 nan 0.000 0.593 410 L N 1.526 122.778 121.223 0.048 0.000 2.277 410 L HA 0.616 4.956 4.340 0.000 0.000 0.284 410 L C 0.719 177.653 176.870 0.106 0.000 1.028 410 L CA 0.677 55.571 54.840 0.091 0.000 0.835 410 L CB -0.309 41.801 42.059 0.084 0.000 1.215 410 L HN 0.724 nan 8.230 nan 0.000 0.425 411 G N 5.454 114.361 108.800 0.178 0.000 2.570 411 G HA2 -0.050 3.910 3.960 0.000 0.000 0.686 411 G HA3 -0.050 3.910 3.960 0.000 0.000 0.686 411 G C -3.203 171.661 174.900 -0.061 0.000 1.257 411 G CA -1.105 44.019 45.100 0.040 0.000 0.846 411 G HN 0.318 nan 8.290 nan 0.000 0.627 412 P HA 0.536 nan 4.420 nan 0.000 0.282 412 P C -0.618 176.359 177.300 -0.539 0.000 1.274 412 P CA -0.097 62.760 63.100 -0.405 0.000 0.770 412 P CB 0.117 31.317 31.700 -0.833 0.000 0.867 413 F N 1.466 121.047 119.950 -0.616 0.000 2.540 413 F HA 0.916 5.443 4.527 0.000 0.000 0.317 413 F C 0.241 175.448 175.800 -0.988 0.000 1.104 413 F CA -0.735 56.639 58.000 -1.044 0.000 0.913 413 F CB 1.773 40.328 39.000 -0.742 0.000 1.170 413 F HN 0.593 nan 8.300 nan 0.000 0.450 414 G N 2.601 110.796 108.800 -1.007 0.000 2.586 414 G HA2 0.376 4.336 3.960 0.000 0.000 0.105 414 G HA3 0.376 4.336 3.960 0.000 0.000 0.105 414 G C -2.055 173.001 174.900 0.259 0.000 1.129 414 G CA -0.868 44.070 45.100 -0.271 0.000 1.127 414 G HN 0.761 nan 8.290 nan 0.000 0.532 415 L N 0.488 121.968 121.223 0.429 0.000 2.333 415 L HA 0.727 5.067 4.340 0.000 0.000 0.269 415 L C -0.374 176.745 176.870 0.415 0.000 1.010 415 L CA -0.706 54.398 54.840 0.440 0.000 0.818 415 L CB 2.241 44.471 42.059 0.285 0.000 1.306 415 L HN 0.374 nan 8.230 nan 0.000 0.430 416 M N 3.547 123.323 119.600 0.293 0.000 2.043 416 M HA 0.387 4.867 4.480 0.000 0.000 0.322 416 M C -0.545 175.892 176.300 0.229 0.000 0.962 416 M CA -0.729 54.664 55.300 0.154 0.000 0.927 416 M CB 1.725 34.285 32.600 -0.067 0.000 1.466 416 M HN 0.411 nan 8.290 nan 0.000 0.412 417 V N 1.721 121.746 119.914 0.184 0.000 2.966 417 V HA 0.575 4.695 4.120 0.000 0.000 0.317 417 V C 0.618 176.804 176.094 0.152 0.000 1.070 417 V CA -1.003 61.387 62.300 0.150 0.000 1.008 417 V CB 1.499 33.388 31.823 0.110 0.000 1.070 417 V HN 0.923 nan 8.190 nan 0.000 0.457 418 L N 0.253 121.548 121.223 0.119 0.000 3.954 418 L HA -0.170 4.170 4.340 0.000 0.000 0.462 418 L C 0.612 177.590 176.870 0.180 0.000 1.195 418 L CA 0.854 55.765 54.840 0.118 0.000 0.739 418 L CB -1.588 40.517 42.059 0.077 0.000 1.599 418 L HN 1.125 nan 8.230 nan 0.000 0.838 419 A N 0.100 123.074 122.820 0.258 0.000 2.312 419 A HA 0.757 5.077 4.320 0.000 0.000 0.326 419 A C 0.623 178.435 177.584 0.380 0.000 1.172 419 A CA 0.186 52.432 52.037 0.348 0.000 0.821 419 A CB 1.012 20.302 19.000 0.485 0.000 1.166 419 A HN 0.452 nan 8.150 nan 0.000 0.493 420 S N 1.488 117.372 115.700 0.307 0.000 2.614 420 S HA 0.237 4.707 4.470 0.000 0.000 0.265 420 S C 1.137 175.862 174.600 0.209 0.000 1.303 420 S CA -0.117 58.257 58.200 0.290 0.000 1.000 420 S CB 1.024 64.334 63.200 0.184 0.000 0.935 420 S HN 0.801 nan 8.310 nan 0.000 0.551 421 K N 0.974 121.419 120.400 0.074 0.000 2.020 421 K HA -0.167 4.153 4.320 0.000 0.000 0.212 421 K C 0.566 177.110 176.600 -0.092 0.000 1.050 421 K CA 1.722 57.834 56.287 -0.291 0.000 0.929 421 K CB -0.367 32.067 32.500 -0.110 0.000 0.714 421 K HN 0.656 nan 8.250 nan 0.000 0.443 422 N N 0.822 119.509 118.700 -0.021 0.000 2.276 422 N HA 0.041 4.781 4.740 0.000 0.000 0.212 422 N C -0.317 175.167 175.510 -0.043 0.000 1.127 422 N CA 0.148 53.177 53.050 -0.035 0.000 0.834 422 N CB 0.381 38.864 38.487 -0.007 0.000 1.014 422 N HN 0.117 nan 8.380 nan 0.000 0.491 423 L N 0.268 121.475 121.223 -0.027 0.000 3.737 423 L HA -0.256 4.085 4.340 0.000 0.000 0.418 423 L C 1.041 178.016 176.870 0.175 0.000 1.216 423 L CA 0.648 55.510 54.840 0.035 0.000 0.915 423 L CB -1.899 40.015 42.059 -0.241 0.000 1.834 423 L HN 0.102 nan 8.230 nan 0.000 0.943 424 E N -0.135 120.137 120.200 0.120 0.000 2.150 424 E HA -0.015 4.335 4.350 0.000 0.000 0.193 424 E C 0.449 177.093 176.600 0.074 0.000 0.985 424 E CA 1.380 57.833 56.400 0.089 0.000 0.814 424 E CB 0.118 29.854 29.700 0.061 0.000 0.752 424 E HN 0.673 nan 8.360 nan 0.000 0.466 425 E N -0.858 119.411 120.200 0.114 0.000 2.293 425 E HA 0.473 4.823 4.350 0.000 0.000 0.270 425 E C -1.284 175.416 176.600 0.167 0.000 0.879 425 E CA -0.910 55.509 56.400 0.032 0.000 0.756 425 E CB 1.920 31.650 29.700 0.049 0.000 1.208 425 E HN 0.042 nan 8.360 nan 0.000 0.428 426 Y N -2.286 118.014 120.300 0.000 0.000 2.662 426 Y HA 0.508 5.058 4.550 0.000 0.000 0.334 426 Y C -1.225 174.663 175.900 -0.020 0.000 1.185 426 Y CA -1.110 56.990 58.100 -0.000 0.000 1.074 426 Y CB 1.192 39.625 38.460 -0.045 0.000 1.330 426 Y HN 0.210 nan 8.280 nan 0.000 0.458 427 T N 2.132 116.784 114.554 0.163 0.000 2.809 427 T HA 0.518 4.868 4.350 0.000 0.000 0.284 427 T C -0.870 173.923 174.700 0.155 0.000 0.992 427 T CA -0.805 61.344 62.100 0.081 0.000 0.957 427 T CB 1.154 70.038 68.868 0.026 0.000 0.942 427 T HN 0.638 nan 8.240 nan 0.000 0.439 428 S N 2.588 118.388 115.700 0.167 0.000 2.438 428 S HA 0.458 4.928 4.470 0.000 0.000 0.293 428 S C 0.022 174.743 174.600 0.201 0.000 1.141 428 S CA -0.723 57.607 58.200 0.217 0.000 1.080 428 S CB 0.753 64.119 63.200 0.277 0.000 0.978 428 S HN 0.514 nan 8.310 nan 0.000 0.479 429 V N 5.903 125.925 119.914 0.180 0.000 2.313 429 V HA 0.545 4.665 4.120 0.000 0.000 0.278 429 V C -0.688 175.392 176.094 -0.023 0.000 1.017 429 V CA -0.637 61.658 62.300 -0.009 0.000 0.823 429 V CB -0.313 31.493 31.823 -0.028 0.000 1.010 429 V HN 0.880 nan 8.190 nan 0.000 0.443 430 Y N 3.030 123.154 120.300 -0.292 0.000 2.655 430 Y HA 0.876 5.426 4.550 0.000 0.000 0.336 430 Y C -1.724 173.731 175.900 -0.741 0.000 1.154 430 Y CA -2.127 55.672 58.100 -0.501 0.000 1.055 430 Y CB 1.346 39.682 38.460 -0.206 0.000 1.295 430 Y HN 0.292 nan 8.280 nan 0.000 0.465 431 F N 1.053 120.734 119.950 -0.449 0.000 2.507 431 F HA 0.777 5.304 4.527 0.000 0.000 0.327 431 F C -0.074 175.421 175.800 -0.508 0.000 1.068 431 F CA -1.028 56.618 58.000 -0.589 0.000 0.965 431 F CB 2.207 40.656 39.000 -0.918 0.000 1.192 431 F HN 0.373 nan 8.300 nan 0.000 0.476 432 R N 2.543 123.016 120.500 -0.045 0.000 2.575 432 R HA 0.596 4.936 4.340 0.000 0.000 0.293 432 R C -1.561 174.642 176.300 -0.162 0.000 0.983 432 R CA -0.840 55.172 56.100 -0.146 0.000 0.887 432 R CB 2.169 32.420 30.300 -0.082 0.000 1.184 432 R HN 0.380 nan 8.270 nan 0.000 0.445 433 I N 4.254 124.689 120.570 -0.225 0.000 2.339 433 I HA 0.363 4.533 4.170 0.000 0.000 0.290 433 I C -0.293 175.692 176.117 -0.219 0.000 0.994 433 I CA -0.568 60.676 61.300 -0.094 0.000 1.191 433 I CB 0.587 38.586 38.000 -0.003 0.000 1.343 433 I HN 0.454 nan 8.210 nan 0.000 0.458 434 F N 4.145 124.220 119.950 0.208 0.000 2.541 434 F HA 0.499 5.026 4.527 0.000 0.000 0.331 434 F C 0.725 176.658 175.800 0.221 0.000 1.057 434 F CA -0.912 57.200 58.000 0.188 0.000 0.975 434 F CB 1.350 40.440 39.000 0.150 0.000 1.246 434 F HN 0.253 nan 8.300 nan 0.000 0.484 435 K N 0.660 121.253 120.400 0.322 0.000 2.201 435 K HA 0.538 4.858 4.320 0.000 0.000 0.278 435 K C 0.614 177.199 176.600 -0.026 0.000 1.027 435 K CA -0.202 56.109 56.287 0.040 0.000 0.909 435 K CB 1.529 34.016 32.500 -0.022 0.000 1.062 435 K HN 0.792 nan 8.250 nan 0.000 0.465 436 A N 4.519 127.255 122.820 -0.141 0.000 1.917 436 A HA -0.132 4.188 4.320 0.000 0.000 0.219 436 A C 0.937 178.455 177.584 -0.111 0.000 1.182 436 A CA 1.403 53.373 52.037 -0.112 0.000 0.633 436 A CB 0.009 18.928 19.000 -0.134 0.000 0.819 436 A HN 0.697 nan 8.150 nan 0.000 0.448 437 R N -1.122 119.303 120.500 -0.124 0.000 2.692 437 R HA 0.210 4.550 4.340 0.000 0.000 0.269 437 R C -1.332 174.913 176.300 -0.092 0.000 1.030 437 R CA -0.574 55.467 56.100 -0.100 0.000 0.882 437 R CB 0.704 30.949 30.300 -0.092 0.000 1.250 437 R HN 0.463 nan 8.270 nan 0.000 0.465 438 Q N 1.839 121.598 119.800 -0.070 0.000 2.263 438 Q HA -0.043 4.297 4.340 0.000 0.000 0.289 438 Q C -0.482 175.486 176.000 -0.053 0.000 1.061 438 Q CA 1.136 56.907 55.803 -0.053 0.000 0.927 438 Q CB 0.015 28.727 28.738 -0.043 0.000 1.154 438 Q HN 0.691 nan 8.270 nan 0.000 0.378 439 N N 1.248 119.921 118.700 -0.045 0.000 2.735 439 N HA -0.214 4.526 4.740 0.000 0.000 0.248 439 N C -1.220 174.256 175.510 -0.057 0.000 1.083 439 N CA 0.685 53.713 53.050 -0.037 0.000 0.703 439 N CB -0.508 37.965 38.487 -0.023 0.000 1.005 439 N HN 0.406 nan 8.380 nan 0.000 0.550 440 S N -0.875 114.761 115.700 -0.107 0.000 2.713 440 S HA 0.439 4.910 4.470 0.000 0.000 0.283 440 S C 0.836 175.323 174.600 -0.189 0.000 1.161 440 S CA -0.585 57.530 58.200 -0.141 0.000 0.999 440 S CB 1.301 64.395 63.200 -0.178 0.000 1.039 440 S HN 0.356 nan 8.310 nan 0.000 0.548 441 N N 0.631 119.249 118.700 -0.137 0.000 2.205 441 N HA 0.207 4.947 4.740 0.000 0.000 0.201 441 N C -0.753 174.697 175.510 -0.099 0.000 1.128 441 N CA 0.134 53.158 53.050 -0.042 0.000 0.867 441 N CB 0.171 38.709 38.487 0.086 0.000 0.996 441 N HN 0.433 nan 8.380 nan 0.000 0.503 442 K N 0.083 120.324 120.400 -0.264 0.000 2.143 442 K HA 0.288 4.608 4.320 0.000 0.000 0.272 442 K C -1.038 175.308 176.600 -0.422 0.000 1.001 442 K CA -0.305 55.882 56.287 -0.167 0.000 0.915 442 K CB 1.145 33.587 32.500 -0.098 0.000 1.047 442 K HN -0.007 nan 8.250 nan 0.000 0.458 443 Y N -0.428 119.908 120.300 0.060 0.000 2.576 443 Y HA 0.420 4.970 4.550 0.000 0.000 0.346 443 Y C -0.532 175.408 175.900 0.067 0.000 1.018 443 Y CA -1.177 56.964 58.100 0.068 0.000 1.050 443 Y CB 1.886 40.382 38.460 0.059 0.000 1.280 443 Y HN 0.106 nan 8.280 nan 0.000 0.474 444 V N 2.868 122.954 119.914 0.286 0.000 2.376 444 V HA 0.349 4.470 4.120 0.000 0.000 0.287 444 V C -0.903 175.406 176.094 0.358 0.000 1.015 444 V CA -0.879 61.557 62.300 0.227 0.000 0.834 444 V CB 1.285 33.191 31.823 0.139 0.000 1.001 444 V HN 0.521 nan 8.190 nan 0.000 0.428 445 V N 6.443 126.528 119.914 0.284 0.000 2.348 445 V HA 0.362 4.482 4.120 0.000 0.000 0.270 445 V C -0.100 176.216 176.094 0.371 0.000 1.037 445 V CA -0.394 62.058 62.300 0.253 0.000 0.872 445 V CB 1.316 33.201 31.823 0.103 0.000 1.002 445 V HN 0.637 nan 8.190 nan 0.000 0.464 446 L N 6.313 127.771 121.223 0.391 0.000 2.289 446 L HA 0.616 4.956 4.340 0.000 0.000 0.285 446 L C -0.286 176.671 176.870 0.145 0.000 1.049 446 L CA -0.010 55.000 54.840 0.284 0.000 0.804 446 L CB 1.320 43.596 42.059 0.362 0.000 1.195 446 L HN 0.744 nan 8.230 nan 0.000 0.428 447 M N 5.381 124.972 119.600 -0.014 0.000 2.227 447 M HA 0.495 4.976 4.480 0.000 0.000 0.335 447 M C -1.627 174.455 176.300 -0.363 0.000 1.053 447 M CA -0.268 54.918 55.300 -0.190 0.000 0.973 447 M CB 0.978 33.527 32.600 -0.085 0.000 1.623 447 M HN 0.706 nan 8.290 nan 0.000 0.434 448 c N 2.046 120.277 118.600 -0.616 0.000 2.507 448 c HA 0.684 5.254 4.570 0.000 0.000 0.319 448 c C 0.013 173.798 174.090 -0.508 0.000 1.208 448 c CA -0.824 55.139 56.329 -0.608 0.000 1.619 448 c CB 1.653 43.629 42.510 -0.892 0.000 2.230 448 c HN 0.833 nan 8.230 nan 0.000 0.492 449 S N 1.780 117.324 115.700 -0.260 0.000 2.601 449 S HA 0.303 4.773 4.470 0.000 0.000 0.312 449 S C -1.062 173.454 174.600 -0.139 0.000 1.107 449 S CA -0.180 57.935 58.200 -0.142 0.000 1.129 449 S CB 0.030 63.221 63.200 -0.016 0.000 0.982 449 S HN 0.812 nan 8.310 nan 0.000 0.469 450 D N 3.784 124.133 120.400 -0.084 0.000 2.373 450 D HA 0.226 4.866 4.640 0.000 0.000 0.227 450 D C 0.164 176.409 176.300 -0.090 0.000 1.091 450 D CA -0.305 53.655 54.000 -0.066 0.000 0.840 450 D CB 1.169 42.026 40.800 0.096 0.000 1.060 450 D HN 0.668 nan 8.370 nan 0.000 0.502 451 Q N 2.212 121.910 119.800 -0.170 0.000 2.182 451 Q HA 0.097 4.437 4.340 0.000 0.000 0.270 451 Q C 0.861 176.753 176.000 -0.180 0.000 0.861 451 Q CA -0.268 55.434 55.803 -0.169 0.000 1.098 451 Q CB 0.042 28.680 28.738 -0.166 0.000 1.188 451 Q HN 0.351 nan 8.270 nan 0.000 0.464 452 S N 0.986 116.581 115.700 -0.176 0.000 2.383 452 S HA -0.036 4.434 4.470 0.000 0.000 0.227 452 S C 1.517 175.998 174.600 -0.198 0.000 1.026 452 S CA 0.483 58.586 58.200 -0.163 0.000 0.981 452 S CB -0.134 62.990 63.200 -0.128 0.000 0.818 452 S HN 0.380 nan 8.310 nan 0.000 0.472 453 R N 1.346 121.659 120.500 -0.313 0.000 2.633 453 R HA 0.287 4.627 4.340 0.000 0.000 0.348 453 R C 1.460 177.527 176.300 -0.389 0.000 1.100 453 R CA 0.512 56.368 56.100 -0.406 0.000 1.068 453 R CB 0.243 30.138 30.300 -0.674 0.000 1.351 453 R HN 0.639 nan 8.270 nan 0.000 0.575 454 S N -0.953 114.599 115.700 -0.247 0.000 2.453 454 S HA -0.005 4.465 4.470 0.000 0.000 0.231 454 S C 0.899 175.451 174.600 -0.080 0.000 1.005 454 S CA 0.214 58.322 58.200 -0.154 0.000 0.949 454 S CB 0.297 63.425 63.200 -0.119 0.000 0.774 454 S HN 0.101 nan 8.310 nan 0.000 0.510 455 S N -1.059 114.598 115.700 -0.072 0.000 2.533 455 S HA 0.562 5.032 4.470 0.000 0.000 0.271 455 S C 0.141 174.725 174.600 -0.025 0.000 1.143 455 S CA -0.835 57.356 58.200 -0.016 0.000 0.891 455 S CB 1.071 64.279 63.200 0.015 0.000 1.105 455 S HN 0.274 nan 8.310 nan 0.000 0.468 456 L N 2.151 123.375 121.223 0.003 0.000 2.291 456 L HA 0.195 4.535 4.340 0.000 0.000 0.214 456 L C 1.308 178.175 176.870 -0.004 0.000 1.120 456 L CA 0.731 55.569 54.840 -0.003 0.000 0.799 456 L CB -0.154 41.914 42.059 0.016 0.000 0.925 456 L HN 0.554 nan 8.230 nan 0.000 0.446 457 K N 0.807 121.211 120.400 0.006 0.000 2.349 457 K HA 0.008 4.328 4.320 0.000 0.000 0.288 457 K C 0.544 177.128 176.600 -0.026 0.000 1.058 457 K CA -0.042 56.241 56.287 -0.006 0.000 0.953 457 K CB 0.955 33.456 32.500 0.000 0.000 0.997 457 K HN 0.004 nan 8.250 nan 0.000 0.477 458 E N 2.345 122.526 120.200 -0.031 0.000 2.385 458 E HA -0.078 4.272 4.350 0.000 0.000 0.194 458 E C 0.538 177.110 176.600 -0.047 0.000 1.013 458 E CA 0.479 56.856 56.400 -0.040 0.000 0.866 458 E CB 0.179 29.858 29.700 -0.035 0.000 0.832 458 E HN 0.630 nan 8.360 nan 0.000 0.500 459 D N 0.909 121.278 120.400 -0.052 0.000 2.158 459 D HA -0.105 4.535 4.640 0.000 0.000 0.197 459 D C 0.181 176.434 176.300 -0.079 0.000 0.995 459 D CA 0.738 54.698 54.000 -0.066 0.000 0.846 459 D CB -0.176 40.578 40.800 -0.078 0.000 0.941 459 D HN 0.111 nan 8.370 nan 0.000 0.456 460 N N 1.774 120.425 118.700 -0.082 0.000 2.454 460 N HA -0.050 4.690 4.740 0.000 0.000 0.254 460 N C -0.260 175.222 175.510 -0.046 0.000 1.228 460 N CA 0.154 53.159 53.050 -0.075 0.000 0.900 460 N CB 0.518 38.993 38.487 -0.019 0.000 1.089 460 N HN 0.090 nan 8.380 nan 0.000 0.449 461 D N 1.325 121.705 120.400 -0.032 0.000 2.346 461 D HA 0.020 4.660 4.640 0.000 0.000 0.260 461 D C -0.155 176.122 176.300 -0.038 0.000 1.252 461 D CA 0.329 54.312 54.000 -0.028 0.000 0.895 461 D CB 0.336 41.132 40.800 -0.007 0.000 1.097 461 D HN 0.294 nan 8.370 nan 0.000 0.489 462 K N 2.635 122.989 120.400 -0.077 0.000 2.593 462 K HA 0.124 4.444 4.320 0.000 0.000 0.208 462 K C -0.029 176.457 176.600 -0.189 0.000 1.051 462 K CA -0.372 55.842 56.287 -0.121 0.000 1.111 462 K CB 0.511 32.948 32.500 -0.106 0.000 0.849 462 K HN 0.386 nan 8.250 nan 0.000 0.479 463 T N 1.940 116.370 114.554 -0.207 0.000 2.946 463 T HA -0.027 4.323 4.350 0.000 0.000 0.312 463 T C 0.491 174.850 174.700 -0.569 0.000 1.066 463 T CA 0.724 62.653 62.100 -0.285 0.000 1.138 463 T CB 0.720 69.477 68.868 -0.185 0.000 1.014 463 T HN 0.048 nan 8.240 nan 0.000 0.544 464 T N 3.167 117.456 114.554 -0.441 0.000 2.882 464 T HA 0.480 4.831 4.350 0.000 0.000 0.287 464 T C -0.690 173.740 174.700 -0.450 0.000 0.992 464 T CA -0.340 61.480 62.100 -0.468 0.000 1.076 464 T CB 0.259 68.990 68.868 -0.228 0.000 0.961 464 T HN 0.367 nan 8.240 nan 0.000 0.490 465 Y N 0.220 120.452 120.300 -0.114 0.000 2.528 465 Y HA 0.747 5.297 4.550 0.000 0.000 0.335 465 Y C 0.708 176.495 175.900 -0.189 0.000 1.093 465 Y CA -1.309 56.713 58.100 -0.130 0.000 1.134 465 Y CB 1.888 40.278 38.460 -0.117 0.000 1.253 465 Y HN 0.849 nan 8.280 nan 0.000 0.478 466 G N -0.392 108.386 108.800 -0.037 0.000 2.720 466 G HA2 0.743 4.703 3.960 0.000 0.000 0.295 466 G HA3 0.743 4.703 3.960 0.000 0.000 0.295 466 G C -2.082 172.608 174.900 -0.349 0.000 1.437 466 G CA -0.556 44.413 45.100 -0.218 0.000 0.886 466 G HN 0.875 nan 8.290 nan 0.000 0.509 467 A N 0.502 123.049 122.820 -0.454 0.000 2.540 467 A HA 0.742 5.062 4.320 0.000 0.000 0.297 467 A C -1.030 176.283 177.584 -0.452 0.000 1.056 467 A CA -0.779 50.864 52.037 -0.656 0.000 0.700 467 A CB 0.741 19.271 19.000 -0.783 0.000 1.280 467 A HN 0.719 nan 8.150 nan 0.000 0.398 468 F N 1.005 120.820 119.950 -0.224 0.000 2.459 468 F HA 0.444 4.972 4.527 0.000 0.000 0.346 468 F C 0.524 176.290 175.800 -0.056 0.000 1.128 468 F CA 0.044 57.997 58.000 -0.078 0.000 1.268 468 F CB 1.214 40.184 39.000 -0.051 0.000 1.161 468 F HN 0.279 nan 8.300 nan 0.000 0.583 469 V N 1.687 121.741 119.914 0.232 0.000 2.487 469 V HA 0.131 4.251 4.120 0.000 0.000 0.298 469 V C -0.564 175.612 176.094 0.138 0.000 1.028 469 V CA -0.889 61.509 62.300 0.162 0.000 0.860 469 V CB 1.646 33.578 31.823 0.183 0.000 0.991 469 V HN 0.592 nan 8.190 nan 0.000 0.427 470 D N 5.820 126.288 120.400 0.114 0.000 2.551 470 D HA 0.327 4.967 4.640 0.000 0.000 0.223 470 D C -0.235 176.112 176.300 0.078 0.000 1.144 470 D CA 0.107 54.161 54.000 0.089 0.000 1.025 470 D CB -0.146 40.703 40.800 0.082 0.000 1.085 470 D HN 0.621 nan 8.370 nan 0.000 0.506 471 I N -1.157 119.457 120.570 0.073 0.000 2.865 471 I HA 0.487 4.657 4.170 0.000 0.000 0.302 471 I C -0.461 175.695 176.117 0.065 0.000 1.140 471 I CA -1.312 60.022 61.300 0.057 0.000 1.021 471 I CB 1.902 39.922 38.000 0.032 0.000 1.233 471 I HN -0.203 nan 8.210 nan 0.000 0.427 472 N N 5.203 123.947 118.700 0.073 0.000 2.411 472 N HA 0.343 5.083 4.740 0.000 0.000 0.259 472 N C -1.911 173.640 175.510 0.069 0.000 1.103 472 N CA -2.247 50.870 53.050 0.113 0.000 0.954 472 N CB 1.156 39.718 38.487 0.124 0.000 1.085 472 N HN 0.435 nan 8.380 nan 0.000 0.485 473 P HA 0.023 nan 4.420 nan 0.000 0.237 473 P C 0.406 177.603 177.300 -0.171 0.000 1.178 473 P CA 0.834 63.863 63.100 -0.118 0.000 0.766 473 P CB 0.244 31.809 31.700 -0.225 0.000 0.876 474 H N -1.074 117.930 119.070 -0.110 0.000 2.352 474 H HA -0.070 4.486 4.556 0.000 0.000 0.299 474 H C 0.943 176.240 175.328 -0.050 0.000 1.097 474 H CA 1.227 57.226 56.048 -0.081 0.000 1.311 474 H CB -0.508 29.232 29.762 -0.036 0.000 1.377 474 H HN 0.165 nan 8.280 nan 0.000 0.504 475 Q N 0.549 120.405 119.800 0.092 0.000 2.317 475 Q HA 0.228 4.569 4.340 0.000 0.000 0.229 475 Q C -2.263 173.744 176.000 0.013 0.000 0.984 475 Q CA -1.866 53.964 55.803 0.045 0.000 0.911 475 Q CB 0.229 28.995 28.738 0.046 0.000 1.217 475 Q HN 0.134 nan 8.270 nan 0.000 0.501 476 P HA 0.064 nan 4.420 nan 0.000 0.271 476 P C -1.110 176.210 177.300 0.032 0.000 1.218 476 P CA -0.238 62.875 63.100 0.021 0.000 0.780 476 P CB 0.504 32.217 31.700 0.022 0.000 0.901 477 L N 2.054 123.314 121.223 0.062 0.000 2.260 477 L HA 0.248 4.588 4.340 0.000 0.000 0.289 477 L C 0.644 177.626 176.870 0.187 0.000 1.057 477 L CA 0.482 55.339 54.840 0.028 0.000 0.811 477 L CB 0.467 42.440 42.059 -0.144 0.000 1.184 477 L HN 0.253 nan 8.230 nan 0.000 0.429 478 S N 3.526 119.332 115.700 0.177 0.000 2.545 478 S HA 0.658 5.128 4.470 0.000 0.000 0.275 478 S C -0.568 174.311 174.600 0.465 0.000 1.299 478 S CA -0.288 58.076 58.200 0.274 0.000 1.048 478 S CB 0.771 64.096 63.200 0.209 0.000 0.938 478 S HN 0.400 nan 8.310 nan 0.000 0.496 479 L N 4.050 125.561 121.223 0.479 0.000 2.470 479 L HA 0.575 4.915 4.340 0.000 0.000 0.268 479 L C -0.611 176.491 176.870 0.387 0.000 0.964 479 L CA -0.279 54.859 54.840 0.497 0.000 0.839 479 L CB 1.664 44.061 42.059 0.564 0.000 1.276 479 L HN 0.650 nan 8.230 nan 0.000 0.403 480 R N 3.747 124.488 120.500 0.402 0.000 2.778 480 R HA 0.967 5.307 4.340 0.000 0.000 0.277 480 R C -1.545 174.936 176.300 0.301 0.000 0.977 480 R CA -0.423 55.875 56.100 0.330 0.000 0.950 480 R CB 1.941 32.398 30.300 0.263 0.000 1.165 480 R HN 0.798 nan 8.270 nan 0.000 0.474 481 A N 4.919 127.883 122.820 0.240 0.000 2.414 481 A HA 0.391 4.711 4.320 0.000 0.000 0.286 481 A C -1.279 176.430 177.584 0.208 0.000 1.073 481 A CA -0.687 51.477 52.037 0.211 0.000 0.727 481 A CB 1.063 20.160 19.000 0.160 0.000 1.215 481 A HN 0.652 nan 8.150 nan 0.000 0.430 482 L N 3.641 125.011 121.223 0.244 0.000 2.260 482 L HA 0.450 4.790 4.340 0.000 0.000 0.289 482 L C -0.586 176.440 176.870 0.259 0.000 1.057 482 L CA -0.076 54.937 54.840 0.288 0.000 0.811 482 L CB 0.795 43.068 42.059 0.357 0.000 1.184 482 L HN 0.576 nan 8.230 nan 0.000 0.429 483 I N 3.398 124.124 120.570 0.260 0.000 2.404 483 I HA 0.316 4.486 4.170 0.000 0.000 0.293 483 I C -0.548 175.665 176.117 0.160 0.000 0.992 483 I CA -0.187 61.202 61.300 0.149 0.000 1.149 483 I CB 1.832 39.891 38.000 0.098 0.000 1.315 483 I HN 0.479 nan 8.210 nan 0.000 0.446 484 D N 5.459 125.848 120.400 -0.019 0.000 2.823 484 D HA 0.197 4.837 4.640 0.000 0.000 0.255 484 D C 0.483 176.736 176.300 -0.078 0.000 1.257 484 D CA -0.013 53.911 54.000 -0.126 0.000 0.803 484 D CB 0.157 40.732 40.800 -0.375 0.000 1.384 484 D HN 0.685 nan 8.370 nan 0.000 0.541 485 H N 0.221 119.304 119.070 0.023 0.000 4.702 485 H HA -0.268 4.288 4.556 0.000 0.000 0.069 485 H C 1.073 176.433 175.328 0.053 0.000 0.593 485 H CA 2.159 58.243 56.048 0.060 0.000 1.050 485 H CB -1.604 28.204 29.762 0.077 0.000 0.788 485 H HN 0.451 nan 8.280 nan 0.000 0.820 486 S N 1.286 117.057 115.700 0.119 0.000 2.629 486 S HA 0.517 4.987 4.470 0.000 0.000 0.236 486 S C 0.254 174.695 174.600 -0.264 0.000 1.010 486 S CA 0.411 58.528 58.200 -0.138 0.000 0.981 486 S CB 1.344 64.485 63.200 -0.098 0.000 0.919 486 S HN 0.354 nan 8.310 nan 0.000 0.514 487 V N 1.304 121.092 119.914 -0.210 0.000 2.789 487 V HA 0.754 4.874 4.120 0.000 0.000 0.311 487 V C -1.588 174.404 176.094 -0.171 0.000 1.073 487 V CA -0.626 61.524 62.300 -0.250 0.000 0.921 487 V CB 2.117 33.682 31.823 -0.429 0.000 1.009 487 V HN 0.241 nan 8.190 nan 0.000 0.426 488 V N 5.855 125.706 119.914 -0.106 0.000 2.483 488 V HA 0.559 4.679 4.120 0.000 0.000 0.297 488 V C -0.485 175.593 176.094 -0.027 0.000 1.027 488 V CA -0.607 61.674 62.300 -0.032 0.000 0.855 488 V CB 1.733 33.547 31.823 -0.015 0.000 0.995 488 V HN 0.936 nan 8.190 nan 0.000 0.424 489 E N 2.625 122.843 120.200 0.029 0.000 2.114 489 E HA 0.525 4.875 4.350 0.000 0.000 0.266 489 E C -0.848 175.699 176.600 -0.090 0.000 0.896 489 E CA -0.338 56.034 56.400 -0.047 0.000 0.750 489 E CB 1.820 31.600 29.700 0.133 0.000 1.121 489 E HN 0.610 nan 8.360 nan 0.000 0.413 490 S N 2.805 118.327 115.700 -0.297 0.000 2.451 490 S HA 0.490 4.961 4.470 0.000 0.000 0.301 490 S C -0.822 173.528 174.600 -0.416 0.000 1.116 490 S CA -0.638 57.455 58.200 -0.178 0.000 1.093 490 S CB 0.390 63.524 63.200 -0.110 0.000 1.017 490 S HN 0.306 nan 8.310 nan 0.000 0.482 491 F N 1.531 121.521 119.950 0.065 0.000 2.445 491 F HA 0.554 5.081 4.527 0.000 0.000 0.348 491 F C 0.861 176.816 175.800 0.258 0.000 1.125 491 F CA -0.686 57.404 58.000 0.150 0.000 0.983 491 F CB 1.537 40.632 39.000 0.158 0.000 1.198 491 F HN 0.648 nan 8.300 nan 0.000 0.436 492 G N 0.647 109.665 108.800 0.365 0.000 2.371 492 G HA2 0.461 4.421 3.960 0.000 0.000 0.326 492 G HA3 0.461 4.421 3.960 0.000 0.000 0.326 492 G C 0.524 175.648 174.900 0.373 0.000 1.127 492 G CA -0.443 44.924 45.100 0.445 0.000 0.885 492 G HN 1.153 nan 8.290 nan 0.000 0.477 493 G N 0.780 109.776 108.800 0.326 0.000 2.314 493 G HA2 -0.079 3.881 3.960 0.000 0.000 0.292 493 G HA3 -0.079 3.881 3.960 0.000 0.000 0.292 493 G C 0.584 175.582 174.900 0.162 0.000 1.059 493 G CA 0.868 46.082 45.100 0.191 0.000 0.982 493 G HN 1.885 nan 8.290 nan 0.000 0.505 494 K N -1.808 118.705 120.400 0.189 0.000 3.451 494 K HA 0.023 4.344 4.320 0.000 0.000 0.273 494 K C 1.636 178.275 176.600 0.065 0.000 0.944 494 K CA 2.225 58.483 56.287 -0.048 0.000 0.734 494 K CB -1.467 30.900 32.500 -0.222 0.000 1.437 494 K HN 2.388 nan 8.250 nan 0.000 0.454 495 G N -0.183 108.893 108.800 0.460 0.000 2.141 495 G HA2 -0.357 3.603 3.960 0.000 0.000 0.242 495 G HA3 -0.357 3.603 3.960 0.000 0.000 0.242 495 G C 0.820 175.845 174.900 0.208 0.000 0.982 495 G CA 0.472 45.850 45.100 0.463 0.000 0.662 495 G HN 0.523 nan 8.290 nan 0.000 0.527 496 R N 0.029 120.637 120.500 0.180 0.000 2.200 496 R HA 0.476 4.816 4.340 0.000 0.000 0.208 496 R C 1.152 177.553 176.300 0.169 0.000 1.033 496 R CA 1.130 57.309 56.100 0.130 0.000 1.000 496 R CB 0.317 30.684 30.300 0.112 0.000 0.906 496 R HN 0.745 nan 8.270 nan 0.000 0.462 497 A N 0.425 123.359 122.820 0.190 0.000 2.414 497 A HA 0.446 4.766 4.320 0.000 0.000 0.286 497 A C -1.002 176.631 177.584 0.083 0.000 1.073 497 A CA -0.709 51.419 52.037 0.151 0.000 0.727 497 A CB 0.917 19.983 19.000 0.110 0.000 1.215 497 A HN 0.167 nan 8.150 nan 0.000 0.430 498 C N 2.651 121.960 119.300 0.014 0.000 2.351 498 C HA 0.750 5.210 4.460 0.000 0.000 0.326 498 C C -0.047 174.789 174.990 -0.256 0.000 1.272 498 C CA -0.470 58.378 59.018 -0.283 0.000 1.650 498 C CB -0.074 27.449 27.740 -0.363 0.000 2.257 498 C HN 0.691 nan 8.230 nan 0.000 0.505 499 I N 2.880 123.240 120.570 -0.350 0.000 2.503 499 I HA 0.229 4.399 4.170 0.000 0.000 0.282 499 I C -0.218 175.738 176.117 -0.267 0.000 1.059 499 I CA 0.178 61.325 61.300 -0.254 0.000 1.081 499 I CB 1.623 39.543 38.000 -0.133 0.000 1.210 499 I HN 0.593 nan 8.210 nan 0.000 0.450 500 T N 4.084 118.477 114.554 -0.269 0.000 2.806 500 T HA 0.453 4.803 4.350 0.000 0.000 0.290 500 T C 0.127 174.768 174.700 -0.098 0.000 0.966 500 T CA -0.504 61.498 62.100 -0.163 0.000 1.060 500 T CB 1.202 70.019 68.868 -0.085 0.000 0.927 500 T HN 0.696 nan 8.240 nan 0.000 0.485 501 S N 3.264 118.964 115.700 0.000 0.000 2.568 501 S HA 0.778 5.248 4.470 0.000 0.000 0.293 501 S C -1.084 173.510 174.600 -0.010 0.000 1.089 501 S CA -1.256 57.020 58.200 0.126 0.000 0.945 501 S CB 1.731 65.029 63.200 0.164 0.000 1.077 501 S HN 0.430 nan 8.310 nan 0.000 0.485 502 R N 1.233 121.723 120.500 -0.016 0.000 2.480 502 R HA 0.718 5.058 4.340 0.000 0.000 0.306 502 R C -0.680 175.443 176.300 -0.295 0.000 0.958 502 R CA -0.650 55.343 56.100 -0.179 0.000 0.861 502 R CB 1.262 31.521 30.300 -0.068 0.000 1.171 502 R HN 0.892 nan 8.270 nan 0.000 0.445 503 V N 0.024 119.589 119.914 -0.583 0.000 3.078 503 V HA 0.663 4.783 4.120 0.000 0.000 0.311 503 V C -1.295 174.259 176.094 -0.900 0.000 1.138 503 V CA -0.902 61.103 62.300 -0.491 0.000 1.007 503 V CB 2.497 34.192 31.823 -0.214 0.000 1.045 503 V HN 0.706 nan 8.190 nan 0.000 0.432 504 Y N 1.557 121.711 120.300 -0.245 0.000 2.497 504 Y HA 0.545 5.095 4.550 0.000 0.000 0.333 504 Y C -2.742 173.063 175.900 -0.159 0.000 1.046 504 Y CA -2.127 55.636 58.100 -0.561 0.000 1.160 504 Y CB 1.168 39.081 38.460 -0.912 0.000 1.123 504 Y HN 0.501 nan 8.280 nan 0.000 0.638 505 P HA 0.132 nan 4.420 nan 0.000 0.272 505 P C 0.468 177.956 177.300 0.314 0.000 1.223 505 P CA -0.230 62.992 63.100 0.204 0.000 0.784 505 P CB 1.498 33.301 31.700 0.171 0.000 0.923 506 K N 0.984 121.505 120.400 0.203 0.000 2.202 506 K HA 0.169 4.489 4.320 0.000 0.000 0.201 506 K C 1.634 178.315 176.600 0.135 0.000 1.051 506 K CA 1.301 57.694 56.287 0.177 0.000 0.977 506 K CB -0.479 32.093 32.500 0.121 0.000 0.792 506 K HN 0.336 nan 8.250 nan 0.000 0.469 507 L N -0.590 120.709 121.223 0.126 0.000 2.286 507 L HA 0.262 4.602 4.340 0.000 0.000 0.203 507 L C 0.895 177.848 176.870 0.137 0.000 1.068 507 L CA 0.219 55.130 54.840 0.119 0.000 0.811 507 L CB -0.241 41.886 42.059 0.114 0.000 0.989 507 L HN -0.098 nan 8.230 nan 0.000 0.467 508 A N 1.683 124.596 122.820 0.155 0.000 3.026 508 A HA 0.452 4.772 4.320 0.000 0.000 0.272 508 A C -0.045 177.626 177.584 0.145 0.000 1.782 508 A CA 0.164 52.297 52.037 0.161 0.000 1.451 508 A CB -1.248 17.856 19.000 0.173 0.000 1.081 508 A HN 0.270 nan 8.150 nan 0.000 0.611 509 I N 0.699 121.340 120.570 0.118 0.000 2.498 509 I HA 0.525 4.695 4.170 0.000 0.000 0.290 509 I C 1.149 177.317 176.117 0.086 0.000 1.032 509 I CA -0.046 61.320 61.300 0.110 0.000 1.073 509 I CB 1.900 39.938 38.000 0.062 0.000 1.251 509 I HN 0.721 nan 8.210 nan 0.000 0.426 510 G N 5.754 114.627 108.800 0.122 0.000 2.602 510 G HA2 -0.373 3.587 3.960 0.000 0.000 0.310 510 G HA3 -0.373 3.587 3.960 0.000 0.000 0.310 510 G C 0.826 175.746 174.900 0.033 0.000 1.183 510 G CA 0.734 45.895 45.100 0.102 0.000 0.979 510 G HN 0.652 nan 8.290 nan 0.000 0.545 511 K N 0.646 121.056 120.400 0.016 0.000 2.288 511 K HA 0.197 4.517 4.320 0.000 0.000 0.201 511 K C 2.617 179.173 176.600 -0.073 0.000 1.048 511 K CA 1.204 57.477 56.287 -0.024 0.000 0.956 511 K CB -0.067 32.432 32.500 -0.002 0.000 0.746 511 K HN 0.242 nan 8.250 nan 0.000 0.461 512 S N 0.683 116.370 115.700 -0.021 0.000 2.593 512 S HA 0.007 4.477 4.470 0.000 0.000 0.217 512 S C 0.444 175.047 174.600 0.005 0.000 0.966 512 S CA -0.145 58.066 58.200 0.019 0.000 0.914 512 S CB 0.128 63.385 63.200 0.094 0.000 0.776 512 S HN 0.331 nan 8.310 nan 0.000 0.523 513 S N 1.831 117.491 115.700 -0.067 0.000 2.584 513 S HA 0.415 4.885 4.470 0.000 0.000 0.273 513 S C -0.489 173.959 174.600 -0.254 0.000 1.311 513 S CA -0.526 57.666 58.200 -0.013 0.000 1.034 513 S CB 0.672 63.885 63.200 0.021 0.000 0.939 513 S HN 0.398 nan 8.310 nan 0.000 0.513 514 H N 0.375 119.469 119.070 0.041 0.000 2.894 514 H HA 0.619 5.175 4.556 0.000 0.000 0.368 514 H C -1.348 173.890 175.328 -0.151 0.000 1.181 514 H CA -0.801 55.184 56.048 -0.105 0.000 1.146 514 H CB 1.804 31.488 29.762 -0.129 0.000 1.839 514 H HN 0.550 nan 8.280 nan 0.000 0.557 515 L N 1.822 122.876 121.223 -0.282 0.000 2.381 515 L HA 0.471 4.811 4.340 0.000 0.000 0.274 515 L C -1.842 174.743 176.870 -0.475 0.000 0.988 515 L CA -0.325 54.394 54.840 -0.202 0.000 0.824 515 L CB 0.818 42.804 42.059 -0.121 0.000 1.263 515 L HN 0.377 nan 8.230 nan 0.000 0.410 516 F N 3.397 123.359 119.950 0.020 0.000 2.563 516 F HA 0.838 5.365 4.527 0.000 0.000 0.316 516 F C 0.422 176.284 175.800 0.103 0.000 1.076 516 F CA -0.653 57.355 58.000 0.013 0.000 0.921 516 F CB 1.970 40.959 39.000 -0.018 0.000 1.209 516 F HN 0.627 nan 8.300 nan 0.000 0.462 517 A N 2.564 125.558 122.820 0.291 0.000 2.293 517 A HA 0.871 5.191 4.320 0.000 0.000 0.302 517 A C -1.141 176.666 177.584 0.371 0.000 1.119 517 A CA -0.349 51.883 52.037 0.326 0.000 0.823 517 A CB 0.543 19.674 19.000 0.217 0.000 1.097 517 A HN 0.823 nan 8.150 nan 0.000 0.491 518 F N -0.179 119.820 119.950 0.082 0.000 2.713 518 F HA 0.750 5.277 4.527 0.000 0.000 0.311 518 F C -1.302 174.425 175.800 -0.122 0.000 1.141 518 F CA -1.075 56.861 58.000 -0.107 0.000 0.939 518 F CB 1.700 40.459 39.000 -0.403 0.000 1.325 518 F HN 0.474 nan 8.300 nan 0.000 0.453 519 N N 1.404 119.942 118.700 -0.270 0.000 2.599 519 N HA 0.287 5.027 4.740 0.000 0.000 0.283 519 N C -1.784 173.772 175.510 0.076 0.000 1.160 519 N CA -0.604 52.298 53.050 -0.246 0.000 0.869 519 N CB 0.641 39.070 38.487 -0.096 0.000 1.448 519 N HN 0.821 nan 8.380 nan 0.000 0.535 520 Y N 0.722 121.016 120.300 -0.009 0.000 2.507 520 Y HA 0.358 4.908 4.550 0.000 0.000 0.254 520 Y C 1.680 177.494 175.900 -0.143 0.000 1.171 520 Y CA -0.864 57.215 58.100 -0.036 0.000 1.238 520 Y CB 1.029 39.488 38.460 -0.002 0.000 1.148 520 Y HN 0.501 nan 8.280 nan 0.000 0.525 521 G N -0.614 108.193 108.800 0.013 0.000 2.634 521 G HA2 -0.011 3.949 3.960 0.000 0.000 0.255 521 G HA3 -0.011 3.949 3.960 0.000 0.000 0.255 521 G C -0.030 174.822 174.900 -0.081 0.000 1.205 521 G CA -0.226 44.836 45.100 -0.063 0.000 0.884 521 G HN 0.341 nan 8.290 nan 0.000 0.549 522 Y N -0.605 119.718 120.300 0.038 0.000 2.220 522 Y HA -0.025 4.525 4.550 0.000 0.000 0.291 522 Y C 1.960 177.865 175.900 0.008 0.000 1.129 522 Y CA 0.741 58.855 58.100 0.024 0.000 1.161 522 Y CB 0.221 38.693 38.460 0.020 0.000 0.997 522 Y HN 0.201 nan 8.280 nan 0.000 0.522 523 Q N 0.878 120.766 119.800 0.146 0.000 2.259 523 Q HA 0.179 4.519 4.340 0.000 0.000 0.246 523 Q C 0.065 176.063 176.000 -0.004 0.000 0.920 523 Q CA -0.277 55.558 55.803 0.054 0.000 0.895 523 Q CB 1.461 30.209 28.738 0.018 0.000 1.220 523 Q HN 0.203 nan 8.270 nan 0.000 0.439 524 S N -0.191 115.495 115.700 -0.024 0.000 2.586 524 S HA 0.603 5.073 4.470 0.000 0.000 0.274 524 S C 0.216 174.743 174.600 -0.121 0.000 1.281 524 S CA -0.771 57.398 58.200 -0.052 0.000 1.035 524 S CB 1.006 64.191 63.200 -0.025 0.000 0.962 524 S HN 0.440 nan 8.310 nan 0.000 0.512 525 V N -0.874 118.941 119.914 -0.166 0.000 2.769 525 V HA 0.644 4.764 4.120 0.000 0.000 0.312 525 V C -1.066 174.958 176.094 -0.116 0.000 1.061 525 V CA -1.025 61.122 62.300 -0.254 0.000 0.931 525 V CB 1.777 33.233 31.823 -0.612 0.000 1.010 525 V HN 0.854 nan 8.190 nan 0.000 0.433 526 D N 2.215 122.562 120.400 -0.089 0.000 2.177 526 D HA 0.452 5.092 4.640 0.000 0.000 0.247 526 D C -0.434 175.862 176.300 -0.007 0.000 1.063 526 D CA -0.127 53.850 54.000 -0.038 0.000 0.867 526 D CB 2.302 43.073 40.800 -0.048 0.000 1.168 526 D HN 0.498 nan 8.370 nan 0.000 0.445 527 V N 4.090 123.980 119.914 -0.040 0.000 2.284 527 V HA 0.060 4.181 4.120 0.000 0.000 0.260 527 V C 1.758 177.777 176.094 -0.125 0.000 1.084 527 V CA -0.208 62.001 62.300 -0.151 0.000 0.894 527 V CB 0.465 32.196 31.823 -0.153 0.000 1.119 527 V HN 0.491 nan 8.190 nan 0.000 0.484 528 L N 2.607 123.759 121.223 -0.118 0.000 1.989 528 L HA -0.078 4.262 4.340 0.000 0.000 0.211 528 L C 1.027 177.846 176.870 -0.086 0.000 1.071 528 L CA 1.637 56.429 54.840 -0.080 0.000 0.749 528 L CB -0.034 41.990 42.059 -0.057 0.000 0.890 528 L HN 0.717 nan 8.230 nan 0.000 0.431 529 N N -1.131 117.498 118.700 -0.118 0.000 2.371 529 N HA 0.451 5.191 4.740 0.000 0.000 0.280 529 N C -1.850 173.571 175.510 -0.148 0.000 1.084 529 N CA -0.510 52.476 53.050 -0.107 0.000 0.892 529 N CB 1.698 40.147 38.487 -0.064 0.000 1.653 529 N HN -0.125 nan 8.380 nan 0.000 0.480 530 L N 2.738 123.871 121.223 -0.150 0.000 2.439 530 L HA 0.680 5.021 4.340 0.000 0.000 0.270 530 L C -1.712 175.032 176.870 -0.210 0.000 0.972 530 L CA -0.561 54.179 54.840 -0.166 0.000 0.836 530 L CB 1.437 43.396 42.059 -0.165 0.000 1.255 530 L HN 0.552 nan 8.230 nan 0.000 0.404 531 N N 4.224 122.760 118.700 -0.275 0.000 2.392 531 N HA 0.802 5.542 4.740 0.000 0.000 0.283 531 N C -1.018 174.094 175.510 -0.663 0.000 1.003 531 N CA -0.257 52.435 53.050 -0.596 0.000 0.892 531 N CB 2.140 40.120 38.487 -0.845 0.000 1.193 531 N HN 0.777 nan 8.380 nan 0.000 0.487 532 A N 2.598 125.025 122.820 -0.655 0.000 2.311 532 A HA 0.579 4.899 4.320 0.000 0.000 0.306 532 A C -1.122 176.207 177.584 -0.426 0.000 1.189 532 A CA -0.763 51.045 52.037 -0.380 0.000 0.791 532 A CB 0.866 19.747 19.000 -0.200 0.000 1.172 532 A HN 0.542 nan 8.150 nan 0.000 0.481 533 W N 2.194 123.477 121.300 -0.029 0.000 2.475 533 W HA 0.373 5.033 4.660 0.000 0.000 0.317 533 W C -0.165 176.320 176.519 -0.056 0.000 1.046 533 W CA -0.669 56.648 57.345 -0.045 0.000 1.215 533 W CB 2.039 31.462 29.460 -0.062 0.000 1.335 533 W HN 0.613 nan 8.180 nan 0.000 0.471 534 S N 3.742 119.528 115.700 0.143 0.000 2.549 534 S HA 0.249 4.720 4.470 0.000 0.000 0.283 534 S C 0.366 174.987 174.600 0.036 0.000 1.320 534 S CA -0.260 57.981 58.200 0.069 0.000 1.058 534 S CB 0.396 63.621 63.200 0.041 0.000 0.882 534 S HN 0.181 nan 8.310 nan 0.000 0.498 535 M N 3.797 123.379 119.600 -0.029 0.000 2.180 535 M HA 0.310 4.790 4.480 0.000 0.000 0.350 535 M C 0.023 176.260 176.300 -0.105 0.000 1.125 535 M CA -0.630 54.562 55.300 -0.178 0.000 1.031 535 M CB 0.848 33.163 32.600 -0.476 0.000 1.623 535 M HN 0.477 nan 8.290 nan 0.000 0.451 536 N N 1.163 119.793 118.700 -0.117 0.000 2.508 536 N HA 0.193 4.933 4.740 0.000 0.000 0.264 536 N C -0.351 175.153 175.510 -0.011 0.000 1.216 536 N CA 0.084 53.108 53.050 -0.043 0.000 0.943 536 N CB 0.785 39.243 38.487 -0.048 0.000 1.113 536 N HN 0.493 nan 8.380 nan 0.000 0.447 537 S N 0.480 116.223 115.700 0.071 0.000 2.572 537 S HA 0.350 4.820 4.470 0.000 0.000 0.279 537 S C 0.424 175.081 174.600 0.095 0.000 1.341 537 S CA -0.786 57.498 58.200 0.140 0.000 1.043 537 S CB 0.852 64.122 63.200 0.118 0.000 0.887 537 S HN 0.647 nan 8.310 nan 0.000 0.516 538 A N 1.652 124.561 122.820 0.148 0.000 2.286 538 A HA 0.540 4.860 4.320 0.000 0.000 0.286 538 A C 0.015 177.644 177.584 0.075 0.000 1.097 538 A CA -0.543 51.557 52.037 0.105 0.000 0.821 538 A CB 0.336 19.437 19.000 0.169 0.000 1.076 538 A HN 0.626 nan 8.150 nan 0.000 0.490 539 Q N 0.986 120.813 119.800 0.046 0.000 2.406 539 Q HA 0.557 4.897 4.340 0.000 0.000 0.242 539 Q C -1.416 174.615 176.000 0.051 0.000 1.036 539 Q CA 0.532 56.349 55.803 0.023 0.000 0.904 539 Q CB -0.212 28.524 28.738 -0.003 0.000 1.244 539 Q HN 0.499 nan 8.270 nan 0.000 0.478 540 I N 2.770 123.357 120.570 0.029 0.000 2.436 540 I HA 0.284 4.454 4.170 0.000 0.000 0.289 540 I C 0.307 176.360 176.117 -0.107 0.000 1.010 540 I CA -0.904 60.417 61.300 0.036 0.000 1.098 540 I CB 1.812 39.809 38.000 -0.005 0.000 1.266 540 I HN 0.719 nan 8.210 nan 0.000 0.434 541 S N 0.000 115.650 115.700 -0.083 0.000 2.498 541 S HA 0.000 4.470 4.470 0.000 0.000 0.327 541 S CA 0.000 58.095 58.200 -0.175 0.000 1.107 541 S CB 0.000 63.058 63.200 -0.237 0.000 0.593 541 S HN 0.000 nan 8.310 nan 0.000 0.517