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 2iwk_1_B DATA FIRST_RESID 8 DATA SEQUENCE ADGSVAPGKL DDYYGFWSSG QTGEMRILGI PSMRELMRVP VFNRCSATGW DATA SEQUENCE GQTNESIRIH QRTMTEKTKK QLAANGKKIH DNGDLHHVHM SFTDGKYDGR DATA SEQUENCE YLFMNDKANT RVARVRCDVM KTDAILEIPN AKGIHGMRPQ KWPRSNYVFC DATA SEQUENCE NGEDEAPLVN DGSTMTDVAT YVNIFTAVDA DKWEVAWQVK VSGNLDNCDA DATA SEQUENCE DYEGKWAFST SYNSEMGMTL EEMTKSEMDH VVVFNIAEIE KAIKAGQYEE DATA SEQUENCE INGVKVVDGR KEAKSLFTRY IPIANNPHGC NMAPDRKHLC VAGKLSPTVT DATA SEQUENCE VLDVTKFDAL FYDNAEPRSA VVAEPELGLG PLHTAFDGRG NAYTSLFLDS DATA SEQUENCE QVVKWNIDEA IRAYAGEKIN PIKDKLDVQY QPGHLKTVMG ETLDAANDWL DATA SEQUENCE VCLCKFSKDR FLNVGPLKPE NDQLIDISGD KMVLVHDGPT FAEPHDAIAV DATA SEQUENCE SPSILPNIRS VWDRNDPLWA ETRKQAEADE VDIDEWTEAV IRDGNKVRVY DATA SEQUENCE MTSVAPSFSQ PSFTVKEGDE VTVIVTNLDE IDDLTHGFTM GNHGVAMEVG DATA SEQUENCE PQQTSSVTFV AANPGVYWYY CQWFCHALHM EMRGRMFVEP 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 8 A HA 0.000 nan 4.320 nan 0.000 0.244 8 A C 0.000 177.687 177.584 0.172 0.000 1.274 8 A CA 0.000 52.114 52.037 0.128 0.000 0.836 8 A CB 0.000 19.109 19.000 0.182 0.000 0.831 9 D N -3.755 116.795 120.400 0.251 0.000 2.433 9 D HA 0.075 4.674 4.640 -0.068 0.000 0.526 9 D C 1.485 177.870 176.300 0.142 0.000 0.339 9 D CA 1.548 55.646 54.000 0.164 0.000 0.970 9 D CB -1.253 39.616 40.800 0.116 0.000 1.859 9 D HN 2.246 nan 8.370 nan 0.000 0.552 10 G N 0.824 109.733 108.800 0.182 0.000 2.162 10 G HA2 -0.239 3.680 3.960 -0.068 0.000 0.260 10 G HA3 -0.239 3.680 3.960 -0.068 0.000 0.260 10 G C 0.222 175.062 174.900 -0.100 0.000 0.976 10 G CA 0.851 45.947 45.100 -0.008 0.000 0.655 10 G HN 0.878 nan 8.290 nan 0.000 0.533 11 S N -0.964 114.716 115.700 -0.033 0.000 2.601 11 S HA 0.613 5.042 4.470 -0.068 0.000 0.271 11 S C 0.187 174.750 174.600 -0.063 0.000 1.305 11 S CA -0.311 57.851 58.200 -0.063 0.000 1.022 11 S CB 2.500 65.686 63.200 -0.024 0.000 0.940 11 S HN 0.756 nan 8.310 nan 0.000 0.525 12 V N 1.987 121.849 119.914 -0.087 0.000 2.443 12 V HA 0.576 4.655 4.120 -0.068 0.000 0.293 12 V C 0.337 176.389 176.094 -0.070 0.000 1.021 12 V CA -0.890 61.360 62.300 -0.083 0.000 0.848 12 V CB 1.071 32.823 31.823 -0.117 0.000 0.998 12 V HN 1.053 nan 8.190 nan 0.000 0.424 13 A N 7.016 129.804 122.820 -0.052 0.000 2.386 13 A HA 0.650 4.929 4.320 -0.068 0.000 0.248 13 A C -2.361 175.193 177.584 -0.051 0.000 1.082 13 A CA -1.106 50.904 52.037 -0.044 0.000 0.789 13 A CB -0.201 18.779 19.000 -0.033 0.000 1.025 13 A HN 0.662 nan 8.150 nan 0.000 0.490 14 P HA 0.231 nan 4.420 nan 0.000 0.264 14 P C 1.053 178.325 177.300 -0.046 0.000 1.183 14 P CA 2.030 65.101 63.100 -0.048 0.000 0.763 14 P CB 0.560 32.235 31.700 -0.041 0.000 0.807 15 G N 1.652 110.422 108.800 -0.051 0.000 2.241 15 G HA2 -0.237 3.682 3.960 -0.068 0.000 0.244 15 G HA3 -0.237 3.682 3.960 -0.068 0.000 0.244 15 G C 0.140 175.008 174.900 -0.053 0.000 0.998 15 G CA -0.005 45.067 45.100 -0.047 0.000 0.621 15 G HN 0.518 nan 8.290 nan 0.000 0.519 16 K N 0.294 120.659 120.400 -0.058 0.000 2.098 16 K HA 0.799 5.078 4.320 -0.068 0.000 0.261 16 K C 0.516 177.064 176.600 -0.087 0.000 0.987 16 K CA -0.425 55.822 56.287 -0.066 0.000 0.916 16 K CB 1.206 33.671 32.500 -0.058 0.000 1.039 16 K HN 0.257 nan 8.250 nan 0.000 0.455 17 L N 1.228 122.390 121.223 -0.101 0.000 2.344 17 L HA 0.349 4.648 4.340 -0.068 0.000 0.272 17 L C 0.206 176.979 176.870 -0.161 0.000 1.035 17 L CA -0.956 53.802 54.840 -0.137 0.000 0.807 17 L CB 1.189 43.162 42.059 -0.144 0.000 1.237 17 L HN 0.547 nan 8.230 nan 0.000 0.442 18 D N 0.744 121.020 120.400 -0.205 0.000 2.378 18 D HA -0.043 4.556 4.640 -0.068 0.000 0.238 18 D C 0.050 176.193 176.300 -0.260 0.000 1.180 18 D CA 0.087 53.953 54.000 -0.224 0.000 0.895 18 D CB 1.322 41.965 40.800 -0.261 0.000 1.192 18 D HN 0.530 nan 8.370 nan 0.000 0.438 19 D N 0.055 120.292 120.400 -0.273 0.000 2.249 19 D HA -0.034 4.565 4.640 -0.068 0.000 0.205 19 D C -0.083 175.749 176.300 -0.780 0.000 0.962 19 D CA 1.062 54.761 54.000 -0.501 0.000 0.860 19 D CB 0.386 40.868 40.800 -0.531 0.000 0.955 19 D HN 0.401 nan 8.370 nan 0.000 0.505 20 Y N -1.369 118.876 120.300 -0.091 0.000 2.562 20 Y HA 0.308 4.817 4.550 -0.069 0.000 0.345 20 Y C -0.668 175.135 175.900 -0.162 0.000 1.045 20 Y CA -1.331 56.746 58.100 -0.039 0.000 1.028 20 Y CB 0.969 39.463 38.460 0.055 0.000 1.297 20 Y HN -0.267 nan 8.280 nan 0.000 0.463 21 Y N 0.777 121.108 120.300 0.052 0.000 2.319 21 Y HA 0.484 4.995 4.550 -0.065 0.000 0.328 21 Y C 0.820 176.576 175.900 -0.240 0.000 1.133 21 Y CA -0.353 57.621 58.100 -0.209 0.000 1.265 21 Y CB 0.931 39.182 38.460 -0.350 0.000 1.218 21 Y HN 0.683 nan 8.280 nan 0.000 0.508 22 G N 3.200 111.894 108.800 -0.176 0.000 2.372 22 G HA2 0.567 4.486 3.960 -0.068 0.000 0.323 22 G HA3 0.567 4.486 3.960 -0.068 0.000 0.323 22 G C -1.577 173.216 174.900 -0.178 0.000 1.152 22 G CA -0.536 44.588 45.100 0.039 0.000 0.906 22 G HN 0.449 nan 8.290 nan 0.000 0.460 23 F N 1.655 121.802 119.950 0.329 0.000 2.402 23 F HA 0.414 4.902 4.527 -0.066 0.000 0.355 23 F C 0.040 175.989 175.800 0.248 0.000 1.123 23 F CA -0.942 57.188 58.000 0.217 0.000 1.021 23 F CB 1.589 40.596 39.000 0.011 0.000 1.160 23 F HN 0.315 nan 8.300 nan 0.000 0.451 24 W N 3.234 124.585 121.300 0.085 0.000 2.520 24 W HA 0.375 4.993 4.660 -0.070 0.000 0.323 24 W C 0.086 176.627 176.519 0.037 0.000 1.062 24 W CA -0.906 56.460 57.345 0.035 0.000 1.215 24 W CB 2.444 31.912 29.460 0.013 0.000 1.340 24 W HN 0.517 nan 8.180 nan 0.000 0.516 25 S N 0.755 116.500 115.700 0.075 0.000 2.608 25 S HA 0.189 4.618 4.470 -0.068 0.000 0.261 25 S C 0.624 175.329 174.600 0.174 0.000 1.314 25 S CA -0.017 58.234 58.200 0.085 0.000 0.992 25 S CB 1.619 64.816 63.200 -0.006 0.000 0.935 25 S HN 0.460 nan 8.310 nan 0.000 0.564 26 S N -0.856 114.939 115.700 0.159 0.000 2.847 26 S HA 0.502 4.931 4.470 -0.068 0.000 0.254 26 S C 1.226 175.900 174.600 0.124 0.000 1.039 26 S CA 0.254 58.552 58.200 0.164 0.000 1.113 26 S CB -0.832 62.478 63.200 0.183 0.000 1.092 26 S HN 1.947 nan 8.310 nan 0.000 0.620 27 G N 3.659 112.532 108.800 0.122 0.000 2.672 27 G HA2 -0.463 3.456 3.960 -0.068 0.000 0.324 27 G HA3 -0.463 3.456 3.960 -0.068 0.000 0.324 27 G C 0.974 175.928 174.900 0.091 0.000 1.286 27 G CA 0.901 46.044 45.100 0.071 0.000 1.004 27 G HN 0.795 nan 8.290 nan 0.000 0.548 28 Q N 0.028 119.868 119.800 0.066 0.000 2.439 28 Q HA -0.057 4.242 4.340 -0.068 0.000 0.211 28 Q C 2.238 178.314 176.000 0.126 0.000 0.978 28 Q CA 2.343 58.198 55.803 0.087 0.000 0.897 28 Q CB -0.853 27.919 28.738 0.057 0.000 0.956 28 Q HN 0.631 nan 8.270 nan 0.000 0.483 29 T N 0.640 115.278 114.554 0.139 0.000 2.867 29 T HA 0.042 4.351 4.350 -0.068 0.000 0.268 29 T C 1.321 176.158 174.700 0.228 0.000 1.057 29 T CA 1.854 64.084 62.100 0.217 0.000 1.136 29 T CB -0.419 68.610 68.868 0.269 0.000 0.874 29 T HN 0.718 nan 8.240 nan 0.000 0.466 30 G N 1.986 110.930 108.800 0.240 0.000 2.157 30 G HA2 -0.227 3.692 3.960 -0.068 0.000 0.248 30 G HA3 -0.227 3.692 3.960 -0.068 0.000 0.248 30 G C -0.049 175.007 174.900 0.259 0.000 0.979 30 G CA 0.393 45.692 45.100 0.332 0.000 0.650 30 G HN 0.709 nan 8.290 nan 0.000 0.529 31 E N -0.608 119.696 120.200 0.174 0.000 2.249 31 E HA 0.756 5.065 4.350 -0.068 0.000 0.263 31 E C -0.005 176.643 176.600 0.079 0.000 0.950 31 E CA -1.358 55.091 56.400 0.081 0.000 0.827 31 E CB 1.425 31.176 29.700 0.086 0.000 1.220 31 E HN 0.278 nan 8.360 nan 0.000 0.411 32 M N 1.555 121.169 119.600 0.024 0.000 2.363 32 M HA 0.399 4.838 4.480 -0.068 0.000 0.343 32 M C -0.964 175.394 176.300 0.096 0.000 1.165 32 M CA -0.528 54.816 55.300 0.072 0.000 1.046 32 M CB 1.279 33.895 32.600 0.026 0.000 1.648 32 M HN 0.537 nan 8.290 nan 0.000 0.452 33 R N 4.341 124.938 120.500 0.161 0.000 2.664 33 R HA 0.681 4.980 4.340 -0.068 0.000 0.286 33 R C -1.231 175.140 176.300 0.118 0.000 0.967 33 R CA -0.658 55.508 56.100 0.110 0.000 0.933 33 R CB 1.857 32.206 30.300 0.082 0.000 1.146 33 R HN 0.701 nan 8.270 nan 0.000 0.468 34 I N 3.747 124.326 120.570 0.015 0.000 2.362 34 I HA 0.274 4.403 4.170 -0.068 0.000 0.289 34 I C -0.863 175.142 176.117 -0.186 0.000 0.994 34 I CA -0.817 60.435 61.300 -0.080 0.000 1.158 34 I CB 1.209 39.192 38.000 -0.028 0.000 1.315 34 I HN 0.196 nan 8.210 nan 0.000 0.451 35 L N 4.898 125.948 121.223 -0.288 0.000 2.322 35 L HA 0.695 4.994 4.340 -0.068 0.000 0.269 35 L C 0.576 177.257 176.870 -0.315 0.000 1.012 35 L CA -0.214 54.394 54.840 -0.386 0.000 0.815 35 L CB 1.722 43.347 42.059 -0.723 0.000 1.295 35 L HN 0.581 nan 8.230 nan 0.000 0.438 36 G N 2.194 110.810 108.800 -0.307 0.000 2.332 36 G HA2 0.600 4.519 3.960 -0.068 0.000 0.310 36 G HA3 0.600 4.519 3.960 -0.068 0.000 0.310 36 G C -0.782 173.960 174.900 -0.263 0.000 1.123 36 G CA -0.253 44.676 45.100 -0.285 0.000 0.873 36 G HN 0.264 nan 8.290 nan 0.000 0.460 37 I N 3.815 124.275 120.570 -0.183 0.000 2.404 37 I HA 0.335 4.464 4.170 -0.068 0.000 0.293 37 I C -1.770 174.248 176.117 -0.165 0.000 0.992 37 I CA -3.292 57.903 61.300 -0.175 0.000 1.149 37 I CB 2.132 40.122 38.000 -0.017 0.000 1.315 37 I HN 0.303 nan 8.210 nan 0.000 0.446 38 P HA 0.051 nan 4.420 nan 0.000 0.262 38 P C 0.956 177.967 177.300 -0.481 0.000 1.304 38 P CA 0.246 62.998 63.100 -0.581 0.000 0.859 38 P CB 0.356 31.528 31.700 -0.881 0.000 1.310 39 S N -0.437 115.044 115.700 -0.366 0.000 2.428 39 S HA -0.070 4.359 4.470 -0.068 0.000 0.230 39 S C 1.364 175.685 174.600 -0.465 0.000 1.014 39 S CA 0.541 58.514 58.200 -0.378 0.000 0.957 39 S CB -1.005 62.032 63.200 -0.270 0.000 0.784 39 S HN -0.055 nan 8.310 nan 0.000 0.499 40 M N -0.729 118.629 119.600 -0.404 0.000 2.856 40 M HA -0.156 4.283 4.480 -0.068 0.000 0.189 40 M C -0.224 175.882 176.300 -0.323 0.000 0.612 40 M CA 0.847 55.923 55.300 -0.373 0.000 0.673 40 M CB -2.620 29.810 32.600 -0.284 0.000 2.440 40 M HN 0.512 nan 8.290 nan 0.000 0.437 41 R N 1.351 121.677 120.500 -0.291 0.000 2.490 41 R HA 0.367 4.666 4.340 -0.068 0.000 0.280 41 R C 0.732 176.879 176.300 -0.255 0.000 1.077 41 R CA -0.382 55.579 56.100 -0.232 0.000 1.065 41 R CB 0.903 31.088 30.300 -0.192 0.000 1.003 41 R HN 0.253 nan 8.270 nan 0.000 0.470 42 E N 3.711 123.779 120.200 -0.220 0.000 2.180 42 E HA 0.006 4.315 4.350 -0.068 0.000 0.283 42 E C 0.371 176.882 176.600 -0.148 0.000 1.061 42 E CA -0.147 56.128 56.400 -0.207 0.000 0.861 42 E CB 0.603 30.199 29.700 -0.173 0.000 1.056 42 E HN 0.550 nan 8.360 nan 0.000 0.407 43 L N 3.916 125.053 121.223 -0.143 0.000 2.249 43 L HA 0.177 4.476 4.340 -0.068 0.000 0.207 43 L C 0.680 177.520 176.870 -0.049 0.000 1.090 43 L CA 0.332 55.113 54.840 -0.098 0.000 0.802 43 L CB 0.039 42.035 42.059 -0.105 0.000 0.947 43 L HN 0.560 nan 8.230 nan 0.000 0.453 44 M N -0.783 118.793 119.600 -0.040 0.000 2.562 44 M HA 0.397 4.836 4.480 -0.068 0.000 0.281 44 M C -1.760 174.542 176.300 0.003 0.000 1.195 44 M CA -0.476 54.823 55.300 -0.001 0.000 0.888 44 M CB 2.089 34.700 32.600 0.019 0.000 1.731 44 M HN -0.137 nan 8.290 nan 0.000 0.493 45 R N 1.841 122.353 120.500 0.020 0.000 2.494 45 R HA 0.840 5.139 4.340 -0.068 0.000 0.305 45 R C -1.418 174.887 176.300 0.008 0.000 0.959 45 R CA -1.032 55.082 56.100 0.023 0.000 0.864 45 R CB 2.023 32.343 30.300 0.033 0.000 1.159 45 R HN 0.497 nan 8.270 nan 0.000 0.446 46 V N 4.814 124.713 119.914 -0.026 0.000 2.350 46 V HA 0.311 4.390 4.120 -0.068 0.000 0.285 46 V C -2.069 173.908 176.094 -0.196 0.000 1.014 46 V CA -2.095 60.138 62.300 -0.111 0.000 0.831 46 V CB 1.588 33.338 31.823 -0.121 0.000 1.000 46 V HN 0.677 nan 8.190 nan 0.000 0.433 47 P HA 0.300 nan 4.420 nan 0.000 0.275 47 P C 0.033 176.916 177.300 -0.694 0.000 1.227 47 P CA 0.167 63.058 63.100 -0.348 0.000 0.781 47 P CB 2.361 33.900 31.700 -0.267 0.000 0.906 48 V N 1.760 121.445 119.914 -0.381 0.000 3.449 48 V HA 0.130 4.209 4.120 -0.068 0.000 0.208 48 V C 1.289 177.280 176.094 -0.172 0.000 1.269 48 V CA 0.873 62.867 62.300 -0.511 0.000 1.301 48 V CB -0.748 30.640 31.823 -0.724 0.000 1.306 48 V HN 0.264 nan 8.190 nan 0.000 0.531 49 F N 1.822 121.952 119.950 0.300 0.000 2.704 49 F HA 0.321 4.808 4.527 -0.066 0.000 0.304 49 F C 0.998 177.022 175.800 0.374 0.000 1.094 49 F CA -0.906 57.319 58.000 0.375 0.000 1.275 49 F CB -0.628 38.517 39.000 0.243 0.000 1.073 49 F HN 0.335 nan 8.300 nan 0.000 0.586 50 N N 0.224 119.201 118.700 0.462 0.000 2.493 50 N HA 0.339 5.038 4.740 -0.068 0.000 0.275 50 N C -0.189 175.561 175.510 0.401 0.000 1.186 50 N CA -0.911 52.357 53.050 0.364 0.000 0.978 50 N CB 0.771 39.421 38.487 0.272 0.000 1.184 50 N HN -0.087 nan 8.380 nan 0.000 0.487 51 R N 1.277 121.945 120.500 0.279 0.000 2.204 51 R HA 0.252 4.551 4.340 -0.068 0.000 0.341 51 R C -1.402 175.033 176.300 0.225 0.000 1.035 51 R CA -0.639 55.600 56.100 0.232 0.000 0.887 51 R CB -0.061 30.323 30.300 0.141 0.000 1.114 51 R HN 0.756 nan 8.270 nan 0.000 0.473 52 C N 4.563 124.033 119.300 0.283 0.000 2.256 52 C HA 0.237 4.656 4.460 -0.068 0.000 0.333 52 C C 1.888 176.994 174.990 0.194 0.000 1.183 52 C CA -0.123 59.039 59.018 0.239 0.000 1.692 52 C CB -0.644 27.268 27.740 0.287 0.000 2.274 52 C HN 1.062 nan 8.230 nan 0.000 0.509 53 S N 4.270 120.053 115.700 0.139 0.000 2.383 53 S HA -0.140 4.289 4.470 -0.068 0.000 0.229 53 S C 2.006 176.680 174.600 0.124 0.000 1.030 53 S CA 2.101 60.367 58.200 0.108 0.000 1.002 53 S CB -0.068 63.174 63.200 0.070 0.000 0.829 53 S HN 1.010 nan 8.310 nan 0.000 0.467 54 A N 0.614 123.517 122.820 0.138 0.000 1.841 54 A HA -0.051 4.228 4.320 -0.068 0.000 0.214 54 A C 2.468 180.272 177.584 0.366 0.000 1.195 54 A CA 2.251 54.383 52.037 0.158 0.000 0.611 54 A CB -1.380 17.700 19.000 0.133 0.000 0.835 54 A HN 0.747 nan 8.150 nan 0.000 0.443 55 T N -5.052 109.729 114.554 0.377 0.000 3.044 55 T HA 0.416 4.725 4.350 -0.068 0.000 0.250 55 T C 1.399 176.282 174.700 0.305 0.000 1.081 55 T CA 1.127 63.465 62.100 0.397 0.000 1.040 55 T CB 0.345 69.416 68.868 0.340 0.000 0.962 55 T HN 1.801 nan 8.240 nan 0.000 0.506 56 G N 0.686 109.648 108.800 0.271 0.000 2.176 56 G HA2 -0.236 3.683 3.960 -0.068 0.000 0.253 56 G HA3 -0.236 3.683 3.960 -0.068 0.000 0.253 56 G C -0.005 175.024 174.900 0.215 0.000 0.979 56 G CA -0.105 45.116 45.100 0.202 0.000 0.641 56 G HN 0.669 nan 8.290 nan 0.000 0.530 57 W N 1.002 122.372 121.300 0.117 0.000 2.443 57 W HA 0.331 4.945 4.660 -0.078 0.000 0.335 57 W C 1.162 177.755 176.519 0.123 0.000 1.382 57 W CA 1.595 59.017 57.345 0.128 0.000 1.305 57 W CB -0.097 29.444 29.460 0.136 0.000 1.283 57 W HN 1.324 nan 8.180 nan 0.000 0.567 58 G N 3.395 111.923 108.800 -0.453 0.000 2.195 58 G HA2 -0.351 3.568 3.960 -0.068 0.000 0.224 58 G HA3 -0.351 3.568 3.960 -0.068 0.000 0.224 58 G C 0.636 175.403 174.900 -0.222 0.000 0.990 58 G CA 0.537 45.424 45.100 -0.354 0.000 0.639 58 G HN 0.645 nan 8.290 nan 0.000 0.514 59 Q N -0.175 119.544 119.800 -0.135 0.000 2.215 59 Q HA 0.264 4.563 4.340 -0.068 0.000 0.257 59 Q C 0.962 176.926 176.000 -0.061 0.000 0.792 59 Q CA 0.940 56.699 55.803 -0.074 0.000 0.958 59 Q CB -0.075 28.656 28.738 -0.011 0.000 1.158 59 Q HN 0.813 nan 8.270 nan 0.000 0.490 60 T N -0.602 113.914 114.554 -0.062 0.000 2.932 60 T HA 0.146 4.455 4.350 -0.068 0.000 0.312 60 T C 0.499 175.146 174.700 -0.088 0.000 1.071 60 T CA 0.414 62.482 62.100 -0.054 0.000 1.128 60 T CB 0.850 69.709 68.868 -0.016 0.000 0.984 60 T HN 0.317 nan 8.240 nan 0.000 0.549 61 N N 1.257 119.913 118.700 -0.074 0.000 2.149 61 N HA -0.134 4.565 4.740 -0.068 0.000 0.188 61 N C 1.667 177.143 175.510 -0.056 0.000 1.019 61 N CA 1.304 54.311 53.050 -0.070 0.000 0.857 61 N CB -0.122 38.321 38.487 -0.073 0.000 0.997 61 N HN 0.710 nan 8.380 nan 0.000 0.426 62 E N 0.156 120.336 120.200 -0.034 0.000 2.106 62 E HA -0.131 4.178 4.350 -0.068 0.000 0.192 62 E C 2.186 178.758 176.600 -0.047 0.000 0.984 62 E CA 1.260 57.666 56.400 0.010 0.000 0.806 62 E CB -0.167 29.583 29.700 0.084 0.000 0.750 62 E HN 0.391 nan 8.360 nan 0.000 0.458 63 S N 0.130 115.719 115.700 -0.186 0.000 2.395 63 S HA -0.047 4.382 4.470 -0.068 0.000 0.225 63 S C 2.084 176.493 174.600 -0.318 0.000 1.027 63 S CA 0.477 58.333 58.200 -0.573 0.000 0.965 63 S CB -0.394 62.106 63.200 -1.167 0.000 0.812 63 S HN 0.174 nan 8.310 nan 0.000 0.482 64 I N 1.790 122.240 120.570 -0.200 0.000 2.226 64 I HA -0.146 3.983 4.170 -0.068 0.000 0.245 64 I C 3.036 179.141 176.117 -0.020 0.000 1.100 64 I CA 1.427 62.663 61.300 -0.107 0.000 1.374 64 I CB -0.347 37.588 38.000 -0.109 0.000 1.057 64 I HN 0.319 nan 8.210 nan 0.000 0.413 65 R N 1.359 121.842 120.500 -0.027 0.000 2.091 65 R HA -0.191 4.108 4.340 -0.068 0.000 0.238 65 R C 2.303 178.623 176.300 0.034 0.000 1.136 65 R CA 1.721 57.824 56.100 0.005 0.000 0.959 65 R CB -0.235 30.067 30.300 0.004 0.000 0.856 65 R HN 0.319 nan 8.270 nan 0.000 0.437 66 I N -0.328 120.259 120.570 0.027 0.000 2.252 66 I HA -0.271 3.858 4.170 -0.068 0.000 0.245 66 I C 2.290 178.443 176.117 0.060 0.000 1.102 66 I CA 1.098 62.429 61.300 0.052 0.000 1.385 66 I CB -0.449 37.606 38.000 0.092 0.000 1.064 66 I HN 0.329 nan 8.210 nan 0.000 0.414 67 H N 0.671 119.747 119.070 0.010 0.000 2.353 67 H HA -0.148 4.368 4.556 -0.067 0.000 0.300 67 H C 1.933 177.301 175.328 0.067 0.000 1.090 67 H CA 1.461 57.546 56.048 0.062 0.000 1.327 67 H CB 0.051 29.813 29.762 0.000 0.000 1.383 67 H HN 0.491 nan 8.280 nan 0.000 0.508 68 Q N 0.131 120.023 119.800 0.152 0.000 2.424 68 Q HA -0.011 4.288 4.340 -0.068 0.000 0.204 68 Q C 2.265 178.308 176.000 0.072 0.000 0.933 68 Q CA -0.177 55.681 55.803 0.092 0.000 0.929 68 Q CB 0.318 29.084 28.738 0.046 0.000 1.037 68 Q HN 0.300 nan 8.270 nan 0.000 0.511 69 R N 0.988 121.533 120.500 0.075 0.000 2.113 69 R HA -0.179 4.120 4.340 -0.068 0.000 0.244 69 R C 1.721 178.053 176.300 0.052 0.000 1.142 69 R CA 2.083 58.219 56.100 0.060 0.000 0.953 69 R CB -0.177 30.164 30.300 0.069 0.000 0.860 69 R HN 0.282 nan 8.270 nan 0.000 0.438 70 T N -2.811 111.782 114.554 0.064 0.000 3.085 70 T HA 0.218 4.527 4.350 -0.068 0.000 0.264 70 T C 0.731 175.457 174.700 0.044 0.000 1.019 70 T CA -0.429 61.697 62.100 0.044 0.000 0.910 70 T CB 0.055 68.945 68.868 0.037 0.000 1.059 70 T HN 0.125 nan 8.240 nan 0.000 0.542 71 M N 4.252 123.887 119.600 0.058 0.000 2.248 71 M HA 0.212 4.651 4.480 -0.068 0.000 0.345 71 M C 0.536 176.857 176.300 0.035 0.000 1.243 71 M CA 0.029 55.365 55.300 0.059 0.000 1.090 71 M CB 0.707 33.346 32.600 0.065 0.000 1.683 71 M HN 0.463 nan 8.290 nan 0.000 0.450 72 T N 1.197 115.771 114.554 0.033 0.000 2.828 72 T HA 0.195 4.504 4.350 -0.068 0.000 0.290 72 T C 0.886 175.595 174.700 0.016 0.000 1.019 72 T CA -0.800 61.312 62.100 0.019 0.000 1.031 72 T CB 0.889 69.767 68.868 0.016 0.000 1.001 72 T HN 0.688 nan 8.240 nan 0.000 0.531 73 E N 0.571 120.777 120.200 0.010 0.000 2.150 73 E HA -0.064 4.245 4.350 -0.068 0.000 0.193 73 E C 2.009 178.613 176.600 0.007 0.000 0.985 73 E CA 0.994 57.398 56.400 0.007 0.000 0.814 73 E CB -0.186 29.517 29.700 0.005 0.000 0.752 73 E HN 0.705 nan 8.360 nan 0.000 0.466 74 K N 0.065 120.471 120.400 0.010 0.000 2.063 74 K HA -0.095 4.184 4.320 -0.068 0.000 0.208 74 K C 2.180 178.791 176.600 0.018 0.000 1.048 74 K CA 1.607 57.901 56.287 0.013 0.000 0.928 74 K CB -0.041 32.468 32.500 0.014 0.000 0.713 74 K HN 0.026 nan 8.250 nan 0.000 0.442 75 T N 0.970 115.540 114.554 0.026 0.000 2.777 75 T HA -0.099 4.210 4.350 -0.068 0.000 0.266 75 T C 1.568 176.263 174.700 -0.008 0.000 1.040 75 T CA 1.252 63.374 62.100 0.036 0.000 1.141 75 T CB -0.025 68.887 68.868 0.073 0.000 0.868 75 T HN 0.236 nan 8.240 nan 0.000 0.444 76 K N 0.981 121.376 120.400 -0.008 0.000 2.063 76 K HA -0.121 4.158 4.320 -0.068 0.000 0.208 76 K C 2.349 178.933 176.600 -0.027 0.000 1.048 76 K CA 1.231 57.504 56.287 -0.025 0.000 0.928 76 K CB -0.107 32.386 32.500 -0.013 0.000 0.713 76 K HN 0.238 nan 8.250 nan 0.000 0.442 77 K N 1.124 121.516 120.400 -0.013 0.000 2.026 77 K HA -0.257 4.022 4.320 -0.068 0.000 0.208 77 K C 2.375 178.967 176.600 -0.012 0.000 1.048 77 K CA 1.621 57.902 56.287 -0.010 0.000 0.929 77 K CB 0.016 32.515 32.500 -0.001 0.000 0.713 77 K HN -0.056 nan 8.250 nan 0.000 0.439 78 Q N 1.030 120.825 119.800 -0.008 0.000 2.061 78 Q HA -0.125 4.174 4.340 -0.068 0.000 0.204 78 Q C 1.934 177.914 176.000 -0.032 0.000 0.984 78 Q CA 1.764 57.564 55.803 -0.004 0.000 0.846 78 Q CB -0.294 28.458 28.738 0.023 0.000 0.902 78 Q HN 0.434 nan 8.270 nan 0.000 0.421 79 L N -0.299 120.876 121.223 -0.080 0.000 2.017 79 L HA -0.137 4.162 4.340 -0.068 0.000 0.208 79 L C 2.439 179.266 176.870 -0.071 0.000 1.073 79 L CA 1.115 55.880 54.840 -0.125 0.000 0.745 79 L CB -0.825 41.116 42.059 -0.197 0.000 0.894 79 L HN 0.332 nan 8.230 nan 0.000 0.432 80 A N 0.055 122.844 122.820 -0.052 0.000 1.940 80 A HA -0.209 4.070 4.320 -0.068 0.000 0.219 80 A C 2.463 180.034 177.584 -0.022 0.000 1.176 80 A CA 1.809 53.826 52.037 -0.034 0.000 0.631 80 A CB -0.733 18.251 19.000 -0.026 0.000 0.814 80 A HN 0.424 nan 8.150 nan 0.000 0.446 81 A N -0.532 122.278 122.820 -0.016 0.000 2.067 81 A HA -0.104 4.175 4.320 -0.068 0.000 0.219 81 A C 1.535 179.117 177.584 -0.004 0.000 1.158 81 A CA 1.606 53.639 52.037 -0.007 0.000 0.661 81 A CB -0.510 18.489 19.000 -0.001 0.000 0.801 81 A HN 0.646 nan 8.150 nan 0.000 0.452 82 N N -1.516 117.178 118.700 -0.010 0.000 2.203 82 N HA 0.355 5.054 4.740 -0.068 0.000 0.207 82 N C 0.685 176.189 175.510 -0.009 0.000 1.130 82 N CA 0.648 53.696 53.050 -0.004 0.000 0.861 82 N CB 0.702 39.190 38.487 0.002 0.000 1.005 82 N HN 0.474 nan 8.380 nan 0.000 0.507 83 G N 0.914 109.704 108.800 -0.016 0.000 2.182 83 G HA2 -0.293 3.626 3.960 -0.068 0.000 0.248 83 G HA3 -0.293 3.626 3.960 -0.068 0.000 0.248 83 G C -0.298 174.587 174.900 -0.026 0.000 1.042 83 G CA 0.140 45.230 45.100 -0.016 0.000 0.775 83 G HN 0.269 nan 8.290 nan 0.000 0.501 84 K N -1.060 119.314 120.400 -0.044 0.000 2.385 84 K HA 0.537 4.816 4.320 -0.068 0.000 0.248 84 K C 0.802 177.353 176.600 -0.082 0.000 0.955 84 K CA -0.914 55.334 56.287 -0.064 0.000 0.816 84 K CB 1.696 34.145 32.500 -0.085 0.000 1.250 84 K HN 0.098 nan 8.250 nan 0.000 0.434 85 K N 0.936 121.284 120.400 -0.088 0.000 2.348 85 K HA 0.235 4.514 4.320 -0.068 0.000 0.194 85 K C 0.897 177.428 176.600 -0.115 0.000 1.052 85 K CA 0.452 56.686 56.287 -0.088 0.000 1.004 85 K CB 0.184 32.638 32.500 -0.075 0.000 0.873 85 K HN 0.524 nan 8.250 nan 0.000 0.523 86 I N -2.698 117.782 120.570 -0.151 0.000 3.191 86 I HA 0.384 4.513 4.170 -0.068 0.000 0.313 86 I C -0.744 175.276 176.117 -0.163 0.000 1.193 86 I CA -1.253 59.943 61.300 -0.173 0.000 0.968 86 I CB 1.739 39.566 38.000 -0.289 0.000 1.262 86 I HN -0.161 nan 8.210 nan 0.000 0.456 87 H N 2.422 121.492 119.070 -0.001 0.000 2.707 87 H HA 0.162 4.677 4.556 -0.069 0.000 0.359 87 H C -0.593 174.763 175.328 0.047 0.000 1.113 87 H CA 0.512 56.591 56.048 0.052 0.000 1.422 87 H CB 1.322 31.157 29.762 0.120 0.000 1.443 87 H HN 0.722 nan 8.280 nan 0.000 0.591 88 D N 0.408 120.943 120.400 0.225 0.000 2.538 88 D HA 0.019 4.618 4.640 -0.068 0.000 0.231 88 D C -0.234 176.194 176.300 0.214 0.000 1.229 88 D CA -0.524 53.584 54.000 0.180 0.000 0.828 88 D CB -0.181 40.686 40.800 0.111 0.000 1.035 88 D HN 0.645 nan 8.370 nan 0.000 0.495 89 N N -1.686 117.153 118.700 0.233 0.000 2.494 89 N HA 0.641 5.340 4.740 -0.068 0.000 0.270 89 N C -0.545 175.059 175.510 0.157 0.000 1.285 89 N CA -0.899 52.265 53.050 0.190 0.000 0.812 89 N CB 2.183 40.749 38.487 0.131 0.000 1.557 89 N HN 0.016 nan 8.380 nan 0.000 0.487 90 G N -0.456 108.440 108.800 0.161 0.000 2.600 90 G HA2 0.451 4.370 3.960 -0.068 0.000 0.293 90 G HA3 0.451 4.370 3.960 -0.068 0.000 0.293 90 G C -2.117 172.837 174.900 0.089 0.000 1.408 90 G CA -0.508 44.613 45.100 0.035 0.000 0.782 90 G HN 0.667 nan 8.290 nan 0.000 0.482 91 D N -0.133 120.288 120.400 0.035 0.000 2.336 91 D HA 0.361 4.960 4.640 -0.068 0.000 0.248 91 D C -1.122 175.309 176.300 0.218 0.000 1.326 91 D CA -0.281 53.797 54.000 0.129 0.000 0.973 91 D CB 1.169 42.051 40.800 0.137 0.000 1.255 91 D HN 0.343 nan 8.370 nan 0.000 0.558 92 L N 5.102 126.467 121.223 0.236 0.000 2.277 92 L HA 0.437 4.736 4.340 -0.068 0.000 0.284 92 L C 0.659 177.608 176.870 0.132 0.000 1.028 92 L CA -0.388 54.616 54.840 0.273 0.000 0.835 92 L CB 0.686 42.948 42.059 0.339 0.000 1.215 92 L HN 0.544 nan 8.230 nan 0.000 0.425 93 H N 2.670 121.632 119.070 -0.179 0.000 2.476 93 H HA 0.163 4.677 4.556 -0.069 0.000 0.292 93 H C -0.257 174.761 175.328 -0.518 0.000 1.019 93 H CA 0.138 55.887 56.048 -0.499 0.000 1.330 93 H CB 0.634 29.812 29.762 -0.974 0.000 1.451 93 H HN 0.594 nan 8.280 nan 0.000 0.535 94 H N 0.176 119.319 119.070 0.123 0.000 2.609 94 H HA 0.395 4.909 4.556 -0.069 0.000 0.344 94 H C -1.061 174.262 175.328 -0.007 0.000 1.040 94 H CA -0.640 55.422 56.048 0.023 0.000 1.216 94 H CB 2.478 32.341 29.762 0.168 0.000 1.529 94 H HN -0.128 nan 8.280 nan 0.000 0.519 95 V N 4.725 124.550 119.914 -0.149 0.000 2.483 95 V HA 0.284 4.363 4.120 -0.068 0.000 0.297 95 V C -0.516 175.300 176.094 -0.464 0.000 1.027 95 V CA -0.669 61.537 62.300 -0.156 0.000 0.855 95 V CB 1.137 32.910 31.823 -0.084 0.000 0.995 95 V HN 0.835 nan 8.190 nan 0.000 0.424 96 H N 4.052 123.193 119.070 0.117 0.000 2.895 96 H HA 0.556 5.070 4.556 -0.069 0.000 0.373 96 H C -0.603 174.710 175.328 -0.024 0.000 1.174 96 H CA -0.666 55.470 56.048 0.147 0.000 1.144 96 H CB 2.541 32.508 29.762 0.342 0.000 1.793 96 H HN 0.594 nan 8.280 nan 0.000 0.551 97 M N 1.412 120.978 119.600 -0.057 0.000 2.478 97 M HA 0.306 4.745 4.480 -0.068 0.000 0.327 97 M C 0.045 176.372 176.300 0.044 0.000 1.187 97 M CA -0.612 54.464 55.300 -0.373 0.000 1.022 97 M CB 1.099 33.141 32.600 -0.930 0.000 1.629 97 M HN 0.668 nan 8.290 nan 0.000 0.461 98 S N 2.143 117.828 115.700 -0.025 0.000 2.568 98 S HA 0.361 4.790 4.470 -0.068 0.000 0.282 98 S C -0.758 174.011 174.600 0.281 0.000 1.338 98 S CA -0.316 58.092 58.200 0.346 0.000 1.045 98 S CB 0.099 63.433 63.200 0.222 0.000 0.873 98 S HN 0.470 nan 8.310 nan 0.000 0.516 99 F N 0.150 120.234 119.950 0.223 0.000 2.492 99 F HA 0.560 5.045 4.527 -0.070 0.000 0.327 99 F C 0.622 176.454 175.800 0.054 0.000 1.079 99 F CA -0.594 57.506 58.000 0.166 0.000 0.967 99 F CB 2.460 41.548 39.000 0.147 0.000 1.169 99 F HN 0.549 nan 8.300 nan 0.000 0.472 100 T N 1.878 116.538 114.554 0.176 0.000 2.881 100 T HA 0.273 4.582 4.350 -0.068 0.000 0.291 100 T C -1.297 173.377 174.700 -0.043 0.000 0.990 100 T CA -0.766 61.342 62.100 0.013 0.000 0.976 100 T CB 1.014 69.863 68.868 -0.031 0.000 0.970 100 T HN 0.570 nan 8.240 nan 0.000 0.438 101 D N 2.395 122.619 120.400 -0.293 0.000 2.697 101 D HA -0.173 4.426 4.640 -0.068 0.000 0.238 101 D C 1.287 177.649 176.300 0.103 0.000 1.152 101 D CA 1.932 55.564 54.000 -0.612 0.000 0.666 101 D CB -1.277 39.238 40.800 -0.475 0.000 1.037 101 D HN 1.286 nan 8.370 nan 0.000 0.423 102 G N -0.569 108.490 108.800 0.431 0.000 2.155 102 G HA2 -0.370 3.549 3.960 -0.068 0.000 0.257 102 G HA3 -0.370 3.549 3.960 -0.068 0.000 0.257 102 G C 0.278 175.540 174.900 0.603 0.000 0.983 102 G CA 1.026 46.574 45.100 0.748 0.000 0.676 102 G HN 0.542 nan 8.290 nan 0.000 0.528 103 K N -0.914 119.693 120.400 0.344 0.000 2.385 103 K HA 0.559 4.838 4.320 -0.068 0.000 0.248 103 K C -0.496 176.019 176.600 -0.141 0.000 0.955 103 K CA -1.177 55.136 56.287 0.044 0.000 0.816 103 K CB 1.411 33.951 32.500 0.067 0.000 1.250 103 K HN 0.002 nan 8.250 nan 0.000 0.434 104 Y N 1.863 121.977 120.300 -0.310 0.000 2.578 104 Y HA -0.071 4.439 4.550 -0.067 0.000 0.339 104 Y C 1.184 176.976 175.900 -0.180 0.000 1.231 104 Y CA -0.099 57.778 58.100 -0.372 0.000 1.461 104 Y CB 0.266 38.561 38.460 -0.275 0.000 1.323 104 Y HN 0.718 nan 8.280 nan 0.000 0.590 105 D N -1.458 118.941 120.400 -0.003 0.000 2.500 105 D HA 0.167 4.766 4.640 -0.068 0.000 0.217 105 D C 1.409 177.641 176.300 -0.113 0.000 1.159 105 D CA 0.310 54.286 54.000 -0.041 0.000 0.828 105 D CB 0.088 40.871 40.800 -0.028 0.000 1.039 105 D HN 0.695 nan 8.370 nan 0.000 0.512 106 G N 0.934 109.629 108.800 -0.174 0.000 2.168 106 G HA2 -0.413 3.506 3.960 -0.068 0.000 0.257 106 G HA3 -0.413 3.506 3.960 -0.068 0.000 0.257 106 G C 1.127 175.827 174.900 -0.333 0.000 0.997 106 G CA 0.635 45.581 45.100 -0.256 0.000 0.708 106 G HN 0.424 nan 8.290 nan 0.000 0.520 107 R N -1.507 118.778 120.500 -0.358 0.000 2.064 107 R HA 0.293 4.592 4.340 -0.068 0.000 0.221 107 R C 0.533 176.361 176.300 -0.787 0.000 1.136 107 R CA 1.107 56.878 56.100 -0.549 0.000 0.980 107 R CB 0.221 30.214 30.300 -0.512 0.000 0.876 107 R HN 0.487 nan 8.270 nan 0.000 0.437 108 Y N -0.529 119.504 120.300 -0.445 0.000 2.576 108 Y HA 0.444 4.944 4.550 -0.083 0.000 0.346 108 Y C -0.654 174.688 175.900 -0.930 0.000 1.018 108 Y CA -1.203 56.495 58.100 -0.670 0.000 1.050 108 Y CB 1.883 39.882 38.460 -0.769 0.000 1.280 108 Y HN -0.167 nan 8.280 nan 0.000 0.474 109 L N 2.320 123.111 121.223 -0.720 0.000 2.334 109 L HA 0.597 4.896 4.340 -0.068 0.000 0.276 109 L C -1.283 175.156 176.870 -0.719 0.000 1.014 109 L CA -0.502 53.888 54.840 -0.750 0.000 0.815 109 L CB 1.353 43.060 42.059 -0.587 0.000 1.268 109 L HN 0.469 nan 8.230 nan 0.000 0.428 110 F N 2.977 122.886 119.950 -0.067 0.000 2.561 110 F HA 0.798 5.282 4.527 -0.072 0.000 0.321 110 F C 0.145 176.008 175.800 0.105 0.000 1.065 110 F CA -0.892 57.117 58.000 0.016 0.000 0.934 110 F CB 2.055 41.161 39.000 0.177 0.000 1.215 110 F HN 0.327 nan 8.300 nan 0.000 0.471 111 M N 1.056 120.880 119.600 0.374 0.000 2.643 111 M HA 0.458 4.897 4.480 -0.068 0.000 0.276 111 M C -2.315 174.230 176.300 0.408 0.000 1.200 111 M CA -0.837 54.658 55.300 0.326 0.000 0.863 111 M CB 2.485 35.210 32.600 0.208 0.000 1.711 111 M HN 0.708 nan 8.290 nan 0.000 0.492 112 N N -0.338 118.578 118.700 0.360 0.000 2.459 112 N HA 0.674 5.373 4.740 -0.068 0.000 0.288 112 N C -1.708 173.926 175.510 0.206 0.000 1.186 112 N CA -0.595 52.617 53.050 0.270 0.000 0.917 112 N CB 1.897 40.490 38.487 0.176 0.000 1.219 112 N HN 0.703 nan 8.380 nan 0.000 0.525 113 D N -0.450 119.895 120.400 -0.092 0.000 2.440 113 D HA 0.154 4.753 4.640 -0.068 0.000 0.252 113 D C 0.081 176.252 176.300 -0.215 0.000 1.180 113 D CA -0.637 53.123 54.000 -0.400 0.000 0.894 113 D CB 1.349 41.447 40.800 -1.169 0.000 1.111 113 D HN 0.683 nan 8.370 nan 0.000 0.544 114 K N 2.586 122.921 120.400 -0.109 0.000 2.211 114 K HA -0.052 4.227 4.320 -0.068 0.000 0.203 114 K C 1.479 178.027 176.600 -0.087 0.000 1.050 114 K CA 1.181 57.415 56.287 -0.090 0.000 0.945 114 K CB 0.177 32.612 32.500 -0.108 0.000 0.732 114 K HN 0.417 nan 8.250 nan 0.000 0.451 115 A N 1.165 123.919 122.820 -0.110 0.000 1.874 115 A HA -0.037 4.242 4.320 -0.068 0.000 0.214 115 A C 1.200 178.682 177.584 -0.169 0.000 1.189 115 A CA 1.172 53.145 52.037 -0.106 0.000 0.615 115 A CB -0.043 18.903 19.000 -0.091 0.000 0.830 115 A HN 0.332 nan 8.150 nan 0.000 0.443 116 N N -0.499 118.043 118.700 -0.263 0.000 2.351 116 N HA 0.133 4.832 4.740 -0.068 0.000 0.254 116 N C -0.897 174.493 175.510 -0.199 0.000 1.241 116 N CA 0.661 53.526 53.050 -0.309 0.000 0.883 116 N CB 0.718 38.802 38.487 -0.671 0.000 1.202 116 N HN 0.226 nan 8.380 nan 0.000 0.512 117 T N 0.896 115.350 114.554 -0.166 0.000 3.860 117 T HA -0.184 4.125 4.350 -0.068 0.000 0.378 117 T C -0.003 174.644 174.700 -0.090 0.000 0.761 117 T CA 0.784 62.820 62.100 -0.107 0.000 2.004 117 T CB -1.119 67.707 68.868 -0.071 0.000 1.778 117 T HN 0.442 nan 8.240 nan 0.000 0.801 118 R N -0.405 120.025 120.500 -0.117 0.000 2.836 118 R HA 0.822 5.121 4.340 -0.068 0.000 0.269 118 R C -0.501 175.839 176.300 0.065 0.000 1.010 118 R CA -1.182 54.905 56.100 -0.022 0.000 0.930 118 R CB 2.020 32.331 30.300 0.020 0.000 1.218 118 R HN 0.243 nan 8.270 nan 0.000 0.473 119 V N -2.012 118.034 119.914 0.221 0.000 2.876 119 V HA 0.991 5.070 4.120 -0.068 0.000 0.312 119 V C -0.926 175.603 176.094 0.725 0.000 1.085 119 V CA -0.844 61.704 62.300 0.413 0.000 0.945 119 V CB 1.808 33.758 31.823 0.212 0.000 1.017 119 V HN 0.932 nan 8.190 nan 0.000 0.428 120 A N 3.503 126.731 122.820 0.680 0.000 2.413 120 A HA 0.950 5.229 4.320 -0.068 0.000 0.307 120 A C -0.546 176.993 177.584 -0.075 0.000 1.087 120 A CA -1.038 51.186 52.037 0.312 0.000 0.750 120 A CB 2.075 21.055 19.000 -0.035 0.000 1.296 120 A HN 1.099 nan 8.150 nan 0.000 0.423 121 R N 1.263 121.393 120.500 -0.618 0.000 2.480 121 R HA 0.639 4.938 4.340 -0.068 0.000 0.306 121 R C -1.895 174.104 176.300 -0.502 0.000 0.958 121 R CA -0.324 55.281 56.100 -0.826 0.000 0.861 121 R CB 1.656 31.014 30.300 -1.570 0.000 1.171 121 R HN 0.504 nan 8.270 nan 0.000 0.445 122 V N 4.917 124.592 119.914 -0.397 0.000 2.459 122 V HA 0.432 4.511 4.120 -0.068 0.000 0.295 122 V C 0.112 176.095 176.094 -0.185 0.000 1.029 122 V CA -0.850 61.275 62.300 -0.292 0.000 0.874 122 V CB 1.706 33.348 31.823 -0.302 0.000 0.985 122 V HN 0.744 nan 8.190 nan 0.000 0.438 123 R N 2.455 122.882 120.500 -0.121 0.000 2.248 123 R HA 0.189 4.488 4.340 -0.068 0.000 0.328 123 R C 0.754 176.904 176.300 -0.250 0.000 1.067 123 R CA -0.372 55.657 56.100 -0.119 0.000 0.924 123 R CB 0.419 30.669 30.300 -0.085 0.000 1.013 123 R HN 0.861 nan 8.270 nan 0.000 0.454 124 C N 1.999 121.094 119.300 -0.342 0.000 2.419 124 C HA -0.113 4.306 4.460 -0.068 0.000 0.281 124 C C 2.098 176.906 174.990 -0.303 0.000 1.336 124 C CA 0.934 59.739 59.018 -0.355 0.000 1.770 124 C CB -0.718 26.769 27.740 -0.421 0.000 1.929 124 C HN 0.881 nan 8.230 nan 0.000 0.509 125 D N 1.586 121.807 120.400 -0.299 0.000 2.178 125 D HA -0.117 4.482 4.640 -0.068 0.000 0.201 125 D C 1.540 177.651 176.300 -0.316 0.000 0.980 125 D CA 2.121 55.957 54.000 -0.275 0.000 0.842 125 D CB -0.570 40.081 40.800 -0.249 0.000 0.948 125 D HN 0.482 nan 8.370 nan 0.000 0.472 126 V N -4.730 114.973 119.914 -0.352 0.000 3.398 126 V HA 0.343 4.422 4.120 -0.068 0.000 0.298 126 V C 0.611 176.510 176.094 -0.325 0.000 1.496 126 V CA -0.471 61.534 62.300 -0.492 0.000 1.044 126 V CB -0.002 31.309 31.823 -0.853 0.000 0.880 126 V HN -0.048 nan 8.190 nan 0.000 0.443 127 M N 0.807 120.266 119.600 -0.236 0.000 2.350 127 M HA -0.125 4.314 4.480 -0.068 0.000 0.190 127 M C -0.462 175.750 176.300 -0.146 0.000 0.710 127 M CA 1.343 56.541 55.300 -0.170 0.000 0.495 127 M CB -1.807 30.729 32.600 -0.108 0.000 1.136 127 M HN 0.613 nan 8.290 nan 0.000 0.901 128 K N -0.375 119.937 120.400 -0.147 0.000 2.469 128 K HA 0.519 4.798 4.320 -0.068 0.000 0.254 128 K C -0.022 176.454 176.600 -0.206 0.000 0.939 128 K CA -0.574 55.625 56.287 -0.147 0.000 0.812 128 K CB 1.549 34.086 32.500 0.063 0.000 1.301 128 K HN 0.133 nan 8.250 nan 0.000 0.433 129 T N 2.268 116.594 114.554 -0.381 0.000 2.867 129 T HA -0.010 4.299 4.350 -0.068 0.000 0.297 129 T C 0.900 175.534 174.700 -0.109 0.000 0.989 129 T CA 0.325 62.215 62.100 -0.349 0.000 1.159 129 T CB 0.195 68.712 68.868 -0.586 0.000 0.928 129 T HN 0.598 nan 8.240 nan 0.000 0.538 130 D N 0.818 121.152 120.400 -0.109 0.000 2.479 130 D HA 0.272 4.871 4.640 -0.068 0.000 0.221 130 D C 0.229 176.497 176.300 -0.054 0.000 1.104 130 D CA -0.259 53.725 54.000 -0.026 0.000 0.849 130 D CB 0.475 41.259 40.800 -0.026 0.000 1.072 130 D HN 0.547 nan 8.370 nan 0.000 0.502 131 A N 0.236 122.958 122.820 -0.163 0.000 2.547 131 A HA 0.659 4.938 4.320 -0.068 0.000 0.297 131 A C -1.511 176.054 177.584 -0.032 0.000 1.056 131 A CA -0.694 51.271 52.037 -0.119 0.000 0.688 131 A CB 1.292 20.130 19.000 -0.269 0.000 1.282 131 A HN 0.135 nan 8.150 nan 0.000 0.400 132 I N 1.829 122.526 120.570 0.212 0.000 2.533 132 I HA 0.478 4.607 4.170 -0.068 0.000 0.290 132 I C -1.328 175.014 176.117 0.374 0.000 1.056 132 I CA -0.780 60.721 61.300 0.335 0.000 1.057 132 I CB 2.137 40.252 38.000 0.192 0.000 1.240 132 I HN 0.585 nan 8.210 nan 0.000 0.423 133 L N 6.376 127.815 121.223 0.361 0.000 2.349 133 L HA 0.456 4.755 4.340 -0.068 0.000 0.278 133 L C -0.334 176.564 176.870 0.045 0.000 0.996 133 L CA -0.112 54.779 54.840 0.085 0.000 0.825 133 L CB 1.693 43.584 42.059 -0.280 0.000 1.243 133 L HN 0.570 nan 8.230 nan 0.000 0.412 134 E N 5.130 125.349 120.200 0.032 0.000 2.223 134 E HA 0.254 4.563 4.350 -0.068 0.000 0.282 134 E C -0.805 175.761 176.600 -0.057 0.000 1.046 134 E CA -0.635 55.771 56.400 0.010 0.000 0.857 134 E CB 0.662 30.385 29.700 0.039 0.000 1.055 134 E HN 0.520 nan 8.360 nan 0.000 0.409 135 I N 7.352 127.873 120.570 -0.082 0.000 2.352 135 I HA 0.221 4.350 4.170 -0.068 0.000 0.290 135 I C -2.037 174.028 176.117 -0.088 0.000 1.036 135 I CA -2.690 58.537 61.300 -0.122 0.000 1.336 135 I CB 0.274 38.184 38.000 -0.150 0.000 1.407 135 I HN 0.432 nan 8.210 nan 0.000 0.497 136 P HA 0.335 nan 4.420 nan 0.000 0.274 136 P C 0.332 177.596 177.300 -0.059 0.000 1.237 136 P CA 0.003 63.068 63.100 -0.059 0.000 0.793 136 P CB 0.741 32.409 31.700 -0.053 0.000 0.977 137 N N -2.219 116.457 118.700 -0.040 0.000 1.710 137 N HA -0.214 4.485 4.740 -0.068 0.000 0.213 137 N C 0.402 175.892 175.510 -0.034 0.000 1.023 137 N CA 2.161 55.192 53.050 -0.031 0.000 4.075 137 N CB -1.984 36.489 38.487 -0.024 0.000 0.686 137 N HN 0.606 nan 8.380 nan 0.000 0.276 138 A N 2.369 125.162 122.820 -0.046 0.000 2.386 138 A HA 0.485 4.764 4.320 -0.068 0.000 0.248 138 A C 0.377 177.935 177.584 -0.043 0.000 1.082 138 A CA 0.512 52.525 52.037 -0.040 0.000 0.789 138 A CB 0.508 19.473 19.000 -0.058 0.000 1.025 138 A HN 0.186 nan 8.150 nan 0.000 0.490 139 K N 0.057 120.437 120.400 -0.034 0.000 2.468 139 K HA 0.551 4.830 4.320 -0.068 0.000 0.252 139 K C -0.012 176.574 176.600 -0.022 0.000 0.932 139 K CA 0.165 56.429 56.287 -0.038 0.000 0.794 139 K CB 1.780 34.250 32.500 -0.050 0.000 1.241 139 K HN 1.881 nan 8.250 nan 0.000 0.428 140 G N 2.909 111.692 108.800 -0.027 0.000 2.401 140 G HA2 -0.176 3.743 3.960 -0.068 0.000 0.283 140 G HA3 -0.176 3.743 3.960 -0.068 0.000 0.283 140 G C -0.068 174.837 174.900 0.009 0.000 1.117 140 G CA -0.672 44.421 45.100 -0.013 0.000 1.051 140 G HN 0.417 nan 8.290 nan 0.000 0.510 141 I N 1.932 122.492 120.570 -0.017 0.000 2.574 141 I HA 0.114 4.243 4.170 -0.068 0.000 0.291 141 I C 1.316 177.454 176.117 0.035 0.000 1.131 141 I CA 0.535 61.834 61.300 -0.002 0.000 1.352 141 I CB -0.260 37.717 38.000 -0.039 0.000 1.431 141 I HN 0.587 nan 8.210 nan 0.000 0.543 142 H N 5.583 124.636 119.070 -0.028 0.000 2.917 142 H HA 0.209 4.724 4.556 -0.068 0.000 0.247 142 H C 0.912 176.358 175.328 0.197 0.000 1.237 142 H CA 0.232 56.261 56.048 -0.033 0.000 1.711 142 H CB 0.871 30.621 29.762 -0.019 0.000 1.466 142 H HN 0.516 nan 8.280 nan 0.000 0.560 143 G N 1.851 110.557 108.800 -0.157 0.000 2.353 143 G HA2 0.290 4.209 3.960 -0.068 0.000 0.239 143 G HA3 0.290 4.209 3.960 -0.068 0.000 0.239 143 G C -0.311 174.549 174.900 -0.068 0.000 1.295 143 G CA 0.032 44.994 45.100 -0.229 0.000 0.884 143 G HN 0.426 nan 8.290 nan 0.000 0.537 144 M N 2.626 122.159 119.600 -0.112 0.000 2.294 144 M HA 0.455 4.894 4.480 -0.068 0.000 0.280 144 M C -1.345 174.962 176.300 0.010 0.000 1.085 144 M CA -0.571 54.744 55.300 0.024 0.000 0.969 144 M CB 1.842 34.530 32.600 0.147 0.000 1.770 144 M HN 0.653 nan 8.290 nan 0.000 0.485 145 R N 4.213 124.703 120.500 -0.017 0.000 2.643 145 R HA 0.626 4.926 4.340 -0.068 0.000 0.269 145 R C -2.924 173.349 176.300 -0.046 0.000 1.037 145 R CA -1.379 54.648 56.100 -0.121 0.000 0.894 145 R CB 2.940 33.115 30.300 -0.207 0.000 1.238 145 R HN 0.388 nan 8.270 nan 0.000 0.459 146 P HA 0.039 nan 4.420 nan 0.000 0.281 146 P C -1.164 176.030 177.300 -0.177 0.000 1.249 146 P CA -0.489 62.544 63.100 -0.112 0.000 0.810 146 P CB 0.882 32.708 31.700 0.210 0.000 1.008 147 Q N 1.701 121.349 119.800 -0.253 0.000 2.315 147 Q HA -0.056 4.243 4.340 -0.068 0.000 0.289 147 Q C 0.636 176.454 176.000 -0.303 0.000 1.044 147 Q CA 0.621 56.354 55.803 -0.117 0.000 0.920 147 Q CB 0.450 29.139 28.738 -0.082 0.000 1.214 147 Q HN 0.339 nan 8.270 nan 0.000 0.392 148 K N 3.229 123.399 120.400 -0.383 0.000 2.308 148 K HA 0.076 4.355 4.320 -0.068 0.000 0.197 148 K C -0.105 176.497 176.600 0.002 0.000 1.049 148 K CA 0.199 56.125 56.287 -0.602 0.000 0.991 148 K CB 0.639 32.708 32.500 -0.718 0.000 0.836 148 K HN 0.585 nan 8.250 nan 0.000 0.500 149 W N 1.932 123.179 121.300 -0.089 0.000 3.129 149 W HA 0.198 4.819 4.660 -0.064 0.000 0.333 149 W C -2.775 173.749 176.519 0.008 0.000 1.141 149 W CA -2.076 55.278 57.345 0.015 0.000 1.224 149 W CB 1.742 31.233 29.460 0.051 0.000 1.393 149 W HN -0.201 nan 8.180 nan 0.000 0.499 150 P HA -0.026 nan 4.420 nan 0.000 0.231 150 P C -0.123 176.908 177.300 -0.448 0.000 1.168 150 P CA 1.120 63.765 63.100 -0.759 0.000 0.779 150 P CB 0.861 32.306 31.700 -0.425 0.000 0.844 151 R N -2.996 117.394 120.500 -0.183 0.000 2.747 151 R HA 0.509 4.808 4.340 -0.068 0.000 0.272 151 R C -0.866 175.423 176.300 -0.019 0.000 1.032 151 R CA -0.762 55.300 56.100 -0.063 0.000 0.896 151 R CB -0.197 30.065 30.300 -0.064 0.000 1.253 151 R HN -0.418 nan 8.270 nan 0.000 0.461 152 S N 0.981 116.724 115.700 0.071 0.000 4.120 152 S HA 0.055 4.484 4.470 -0.068 0.000 0.215 152 S C 0.267 174.817 174.600 -0.084 0.000 1.347 152 S CA -0.389 57.830 58.200 0.032 0.000 0.889 152 S CB -0.772 62.574 63.200 0.243 0.000 1.585 152 S HN 0.541 nan 8.310 nan 0.000 0.447 153 N N 0.969 119.541 118.700 -0.214 0.000 2.188 153 N HA -0.043 4.656 4.740 -0.068 0.000 0.184 153 N C -0.447 174.751 175.510 -0.519 0.000 1.018 153 N CA 1.011 53.836 53.050 -0.376 0.000 0.858 153 N CB 0.051 38.217 38.487 -0.535 0.000 0.989 153 N HN 0.433 nan 8.380 nan 0.000 0.426 154 Y N -0.073 119.977 120.300 -0.417 0.000 2.446 154 Y HA 0.488 4.998 4.550 -0.067 0.000 0.338 154 Y C -0.212 175.143 175.900 -0.909 0.000 1.055 154 Y CA -1.299 56.353 58.100 -0.747 0.000 1.101 154 Y CB 1.228 39.027 38.460 -1.101 0.000 1.221 154 Y HN -0.341 nan 8.280 nan 0.000 0.460 155 V N 4.372 123.842 119.914 -0.741 0.000 2.384 155 V HA 0.364 4.443 4.120 -0.068 0.000 0.287 155 V C -0.631 175.003 176.094 -0.767 0.000 1.020 155 V CA -1.072 60.781 62.300 -0.746 0.000 0.850 155 V CB 0.544 31.955 31.823 -0.687 0.000 0.987 155 V HN 0.534 nan 8.190 nan 0.000 0.436 156 F N 4.179 123.907 119.950 -0.371 0.000 2.394 156 F HA 0.639 5.127 4.527 -0.064 0.000 0.340 156 F C 0.593 176.139 175.800 -0.423 0.000 1.105 156 F CA -0.475 57.218 58.000 -0.511 0.000 1.124 156 F CB 1.304 40.156 39.000 -0.247 0.000 1.145 156 F HN 0.678 nan 8.300 nan 0.000 0.505 157 C N 1.058 120.112 119.300 -0.409 0.000 3.086 157 C HA 0.588 5.007 4.460 -0.068 0.000 0.311 157 C C -1.157 173.705 174.990 -0.213 0.000 1.260 157 C CA -1.238 57.640 59.018 -0.233 0.000 1.426 157 C CB 1.041 28.668 27.740 -0.188 0.000 1.826 157 C HN 0.912 nan 8.230 nan 0.000 0.474 158 N N 0.041 118.739 118.700 -0.003 0.000 2.399 158 N HA 0.582 5.281 4.740 -0.068 0.000 0.295 158 N C -0.100 175.452 175.510 0.071 0.000 1.048 158 N CA -0.278 52.840 53.050 0.113 0.000 0.886 158 N CB 1.646 40.246 38.487 0.188 0.000 1.185 158 N HN 1.077 nan 8.380 nan 0.000 0.487 159 G N 0.607 109.451 108.800 0.073 0.000 2.393 159 G HA2 0.023 3.942 3.960 -0.068 0.000 0.311 159 G HA3 0.023 3.942 3.960 -0.068 0.000 0.311 159 G C 0.488 175.429 174.900 0.068 0.000 1.067 159 G CA -0.274 44.856 45.100 0.051 0.000 1.000 159 G HN 0.685 nan 8.290 nan 0.000 0.422 160 E N 1.774 122.018 120.200 0.072 0.000 2.158 160 E HA -0.060 4.249 4.350 -0.068 0.000 0.191 160 E C -0.099 176.504 176.600 0.006 0.000 0.982 160 E CA 0.382 56.815 56.400 0.056 0.000 0.823 160 E CB 0.255 30.019 29.700 0.106 0.000 0.766 160 E HN 0.452 nan 8.360 nan 0.000 0.468 161 D N 1.195 121.602 120.400 0.011 0.000 2.225 161 D HA 0.143 4.742 4.640 -0.068 0.000 0.249 161 D C -0.734 175.557 176.300 -0.014 0.000 1.052 161 D CA -0.092 53.909 54.000 0.001 0.000 0.909 161 D CB 1.480 42.275 40.800 -0.008 0.000 1.186 161 D HN -0.008 nan 8.370 nan 0.000 0.431 162 E N 0.242 120.440 120.200 -0.004 0.000 2.200 162 E HA 0.633 4.942 4.350 -0.068 0.000 0.283 162 E C -0.602 175.856 176.600 -0.237 0.000 1.015 162 E CA -0.587 55.819 56.400 0.010 0.000 0.819 162 E CB 1.492 31.305 29.700 0.189 0.000 1.081 162 E HN 0.439 nan 8.360 nan 0.000 0.397 163 A N 3.663 126.301 122.820 -0.304 0.000 2.601 163 A HA 0.659 4.938 4.320 -0.068 0.000 0.291 163 A C -2.821 174.578 177.584 -0.308 0.000 1.075 163 A CA -1.625 50.053 52.037 -0.598 0.000 0.671 163 A CB 1.040 19.824 19.000 -0.359 0.000 1.277 163 A HN 0.414 nan 8.150 nan 0.000 0.417 164 P HA 0.276 nan 4.420 nan 0.000 0.272 164 P C 0.577 177.857 177.300 -0.034 0.000 1.223 164 P CA -0.309 62.772 63.100 -0.032 0.000 0.784 164 P CB 0.501 32.212 31.700 0.019 0.000 0.923 165 L N 2.688 123.915 121.223 0.007 0.000 2.109 165 L HA -0.044 4.255 4.340 -0.068 0.000 0.207 165 L C 0.846 177.718 176.870 0.002 0.000 1.086 165 L CA 1.541 56.383 54.840 0.004 0.000 0.760 165 L CB -0.570 41.503 42.059 0.022 0.000 0.910 165 L HN 0.134 nan 8.230 nan 0.000 0.437 166 V N 1.214 121.135 119.914 0.011 0.000 2.284 166 V HA 0.170 4.249 4.120 -0.068 0.000 0.260 166 V C 0.252 176.350 176.094 0.006 0.000 1.084 166 V CA -0.391 61.915 62.300 0.011 0.000 0.894 166 V CB 0.160 31.994 31.823 0.019 0.000 1.119 166 V HN 0.279 nan 8.190 nan 0.000 0.484 167 N N 3.623 122.318 118.700 -0.007 0.000 3.322 167 N HA 0.106 4.805 4.740 -0.068 0.000 0.290 167 N C 0.545 176.052 175.510 -0.005 0.000 1.297 167 N CA -0.416 52.623 53.050 -0.018 0.000 1.167 167 N CB 0.381 38.841 38.487 -0.045 0.000 1.434 167 N HN 0.693 nan 8.380 nan 0.000 0.526 168 D N -0.274 120.130 120.400 0.007 0.000 2.440 168 D HA 0.221 4.820 4.640 -0.068 0.000 0.216 168 D C 1.186 177.495 176.300 0.016 0.000 1.150 168 D CA 0.037 54.044 54.000 0.011 0.000 0.832 168 D CB -0.250 40.557 40.800 0.012 0.000 0.992 168 D HN 0.297 nan 8.370 nan 0.000 0.502 169 G N 0.482 109.294 108.800 0.019 0.000 2.176 169 G HA2 -0.381 3.538 3.960 -0.068 0.000 0.253 169 G HA3 -0.381 3.538 3.960 -0.068 0.000 0.253 169 G C 1.292 176.212 174.900 0.034 0.000 0.979 169 G CA 0.823 45.939 45.100 0.027 0.000 0.641 169 G HN 0.665 nan 8.290 nan 0.000 0.530 170 S N -0.488 115.232 115.700 0.033 0.000 2.387 170 S HA 0.103 4.532 4.470 -0.068 0.000 0.226 170 S C 1.843 176.470 174.600 0.044 0.000 1.026 170 S CA 2.121 60.342 58.200 0.034 0.000 0.972 170 S CB -0.225 62.993 63.200 0.029 0.000 0.814 170 S HN 1.612 nan 8.310 nan 0.000 0.477 171 T N -0.881 113.710 114.554 0.061 0.000 3.288 171 T HA 0.389 4.698 4.350 -0.068 0.000 0.293 171 T C 1.312 176.094 174.700 0.136 0.000 1.008 171 T CA 0.003 62.151 62.100 0.081 0.000 0.929 171 T CB -0.273 68.644 68.868 0.082 0.000 1.152 171 T HN 0.520 nan 8.240 nan 0.000 0.517 172 M N 1.169 120.844 119.600 0.125 0.000 2.358 172 M HA -0.006 4.433 4.480 -0.068 0.000 0.264 172 M C 1.868 178.322 176.300 0.257 0.000 1.064 172 M CA 2.018 57.428 55.300 0.183 0.000 1.093 172 M CB -1.110 31.546 32.600 0.094 0.000 1.401 172 M HN 0.268 nan 8.290 nan 0.000 0.440 173 T N -3.338 111.300 114.554 0.140 0.000 3.081 173 T HA 0.069 4.378 4.350 -0.068 0.000 0.250 173 T C 0.364 175.061 174.700 -0.004 0.000 1.100 173 T CA -0.061 62.089 62.100 0.084 0.000 1.038 173 T CB -0.291 68.606 68.868 0.048 0.000 0.962 173 T HN 0.349 nan 8.240 nan 0.000 0.516 174 D N 1.618 122.015 120.400 -0.005 0.000 2.441 174 D HA 0.231 4.830 4.640 -0.068 0.000 0.221 174 D C 1.209 177.336 176.300 -0.289 0.000 1.156 174 D CA -0.495 53.452 54.000 -0.089 0.000 0.896 174 D CB 1.124 41.913 40.800 -0.018 0.000 1.028 174 D HN -0.022 nan 8.370 nan 0.000 0.509 175 V N 3.947 123.562 119.914 -0.498 0.000 2.720 175 V HA -0.209 3.870 4.120 -0.068 0.000 0.256 175 V C 2.416 178.260 176.094 -0.417 0.000 1.082 175 V CA 1.799 63.575 62.300 -0.874 0.000 1.101 175 V CB -0.642 30.834 31.823 -0.579 0.000 0.693 175 V HN 0.675 nan 8.190 nan 0.000 0.479 176 A N 0.717 123.417 122.820 -0.200 0.000 2.076 176 A HA -0.208 4.071 4.320 -0.068 0.000 0.220 176 A C 2.361 179.941 177.584 -0.005 0.000 1.160 176 A CA 2.183 54.174 52.037 -0.077 0.000 0.653 176 A CB -0.677 18.292 19.000 -0.052 0.000 0.801 176 A HN 0.650 nan 8.150 nan 0.000 0.455 177 T N -4.275 110.300 114.554 0.035 0.000 3.107 177 T HA 0.207 4.516 4.350 -0.068 0.000 0.249 177 T C 0.257 175.118 174.700 0.268 0.000 1.096 177 T CA -0.300 61.882 62.100 0.135 0.000 1.012 177 T CB -0.391 68.560 68.868 0.138 0.000 0.977 177 T HN 0.201 nan 8.240 nan 0.000 0.527 178 Y N 2.408 122.718 120.300 0.018 0.000 2.336 178 Y HA 0.546 5.055 4.550 -0.068 0.000 0.331 178 Y C 0.654 176.570 175.900 0.026 0.000 1.211 178 Y CA -2.162 55.950 58.100 0.020 0.000 1.346 178 Y CB 0.877 39.347 38.460 0.017 0.000 1.271 178 Y HN 0.194 nan 8.280 nan 0.000 0.538 179 V N -0.017 119.997 119.914 0.168 0.000 3.182 179 V HA 0.661 4.740 4.120 -0.068 0.000 0.308 179 V C -0.952 175.198 176.094 0.093 0.000 1.240 179 V CA -1.177 61.196 62.300 0.121 0.000 1.063 179 V CB 2.692 34.575 31.823 0.100 0.000 1.076 179 V HN 0.737 nan 8.190 nan 0.000 0.446 180 N N 0.374 119.138 118.700 0.107 0.000 2.240 180 N HA 0.754 5.453 4.740 -0.068 0.000 0.302 180 N C -1.797 173.791 175.510 0.130 0.000 1.106 180 N CA -0.265 52.847 53.050 0.104 0.000 0.778 180 N CB 2.569 41.125 38.487 0.115 0.000 1.431 180 N HN 0.627 nan 8.380 nan 0.000 0.479 181 I N 1.700 122.338 120.570 0.114 0.000 2.498 181 I HA 0.341 4.470 4.170 -0.068 0.000 0.290 181 I C -0.785 175.416 176.117 0.141 0.000 1.032 181 I CA -0.545 60.824 61.300 0.116 0.000 1.073 181 I CB 1.495 39.522 38.000 0.043 0.000 1.251 181 I HN 0.377 nan 8.210 nan 0.000 0.426 182 F N 5.476 125.416 119.950 -0.018 0.000 2.404 182 F HA 0.684 5.171 4.527 -0.066 0.000 0.339 182 F C -0.073 175.610 175.800 -0.196 0.000 1.105 182 F CA 0.016 57.925 58.000 -0.152 0.000 1.087 182 F CB 1.154 39.924 39.000 -0.383 0.000 1.143 182 F HN 0.417 nan 8.300 nan 0.000 0.491 183 T N 5.236 119.238 114.554 -0.920 0.000 2.841 183 T HA 0.716 5.025 4.350 -0.068 0.000 0.283 183 T C -0.851 173.173 174.700 -1.126 0.000 1.000 183 T CA -0.595 61.026 62.100 -0.799 0.000 0.977 183 T CB 1.417 69.970 68.868 -0.525 0.000 0.979 183 T HN 0.766 nan 8.240 nan 0.000 0.446 184 A N 2.836 124.929 122.820 -1.212 0.000 2.271 184 A HA 0.708 4.987 4.320 -0.068 0.000 0.317 184 A C -0.242 176.744 177.584 -0.997 0.000 1.245 184 A CA -0.586 50.639 52.037 -1.353 0.000 0.857 184 A CB 0.456 17.967 19.000 -2.482 0.000 1.175 184 A HN 0.689 nan 8.150 nan 0.000 0.512 185 V N 3.069 122.506 119.914 -0.796 0.000 2.439 185 V HA 0.171 4.250 4.120 -0.068 0.000 0.282 185 V C 0.126 175.915 176.094 -0.507 0.000 1.039 185 V CA -0.655 61.226 62.300 -0.698 0.000 0.913 185 V CB 1.599 32.876 31.823 -0.909 0.000 0.983 185 V HN 0.930 nan 8.190 nan 0.000 0.460 186 D N 4.129 124.301 120.400 -0.379 0.000 2.342 186 D HA 0.169 4.768 4.640 -0.068 0.000 0.260 186 D C 1.009 177.206 176.300 -0.171 0.000 1.278 186 D CA 0.312 54.172 54.000 -0.233 0.000 0.910 186 D CB 1.666 42.367 40.800 -0.164 0.000 1.079 186 D HN 0.631 nan 8.370 nan 0.000 0.496 187 A N 4.369 127.103 122.820 -0.143 0.000 2.067 187 A HA -0.148 4.131 4.320 -0.068 0.000 0.219 187 A C 1.656 179.322 177.584 0.136 0.000 1.158 187 A CA 1.022 53.090 52.037 0.052 0.000 0.661 187 A CB 0.080 19.032 19.000 -0.081 0.000 0.801 187 A HN 0.581 nan 8.150 nan 0.000 0.452 188 D N -0.356 120.074 120.400 0.050 0.000 2.197 188 D HA -0.028 4.571 4.640 -0.068 0.000 0.212 188 D C 1.701 178.033 176.300 0.053 0.000 0.963 188 D CA 0.986 55.019 54.000 0.055 0.000 0.864 188 D CB -0.201 40.620 40.800 0.036 0.000 1.009 188 D HN 0.418 nan 8.370 nan 0.000 0.479 189 K N -0.313 120.113 120.400 0.043 0.000 2.296 189 K HA -0.050 4.229 4.320 -0.068 0.000 0.200 189 K C 0.326 177.009 176.600 0.138 0.000 1.048 189 K CA -0.147 56.170 56.287 0.050 0.000 0.966 189 K CB 0.549 33.048 32.500 -0.002 0.000 0.754 189 K HN 0.234 nan 8.250 nan 0.000 0.466 190 W N 2.238 123.455 121.300 -0.139 0.000 6.111 190 W HA -0.285 4.335 4.660 -0.066 0.000 0.409 190 W C -1.203 175.248 176.519 -0.113 0.000 1.586 190 W CA 0.551 57.813 57.345 -0.139 0.000 1.027 190 W CB -1.171 28.216 29.460 -0.121 0.000 2.784 190 W HN 0.225 nan 8.180 nan 0.000 1.485 191 E N -0.619 119.433 120.200 -0.247 0.000 2.429 191 E HA 0.374 4.683 4.350 -0.068 0.000 0.276 191 E C -0.446 175.949 176.600 -0.342 0.000 0.953 191 E CA -1.185 55.064 56.400 -0.252 0.000 0.787 191 E CB 1.911 31.536 29.700 -0.126 0.000 1.307 191 E HN -0.140 nan 8.360 nan 0.000 0.458 192 V N 1.957 121.684 119.914 -0.311 0.000 2.572 192 V HA 0.074 4.153 4.120 -0.068 0.000 0.291 192 V C 0.823 176.737 176.094 -0.301 0.000 1.039 192 V CA 0.791 62.881 62.300 -0.351 0.000 1.055 192 V CB 0.847 32.497 31.823 -0.288 0.000 0.969 192 V HN 0.940 nan 8.190 nan 0.000 0.482 193 A N 6.115 128.694 122.820 -0.401 0.000 1.871 193 A HA 0.243 4.522 4.320 -0.068 0.000 0.211 193 A C 0.652 178.099 177.584 -0.228 0.000 1.207 193 A CA 0.824 52.669 52.037 -0.320 0.000 0.620 193 A CB 0.274 19.039 19.000 -0.391 0.000 0.860 193 A HN 0.946 nan 8.150 nan 0.000 0.450 194 W N -2.614 118.527 121.300 -0.265 0.000 3.059 194 W HA 0.638 5.259 4.660 -0.066 0.000 0.329 194 W C -1.677 174.664 176.519 -0.296 0.000 1.246 194 W CA -0.819 56.350 57.345 -0.294 0.000 1.190 194 W CB 0.314 29.590 29.460 -0.306 0.000 1.423 194 W HN 0.134 nan 8.180 nan 0.000 0.571 195 Q N 0.863 120.749 119.800 0.144 0.000 2.433 195 Q HA 0.665 4.964 4.340 -0.068 0.000 0.279 195 Q C -1.252 174.840 176.000 0.153 0.000 1.105 195 Q CA -1.196 54.659 55.803 0.087 0.000 0.815 195 Q CB 3.413 32.137 28.738 -0.024 0.000 1.403 195 Q HN 0.272 nan 8.270 nan 0.000 0.435 196 V N 1.568 121.589 119.914 0.178 0.000 2.483 196 V HA 0.303 4.382 4.120 -0.068 0.000 0.297 196 V C -0.676 175.547 176.094 0.215 0.000 1.027 196 V CA -1.015 61.395 62.300 0.184 0.000 0.855 196 V CB 1.595 33.593 31.823 0.292 0.000 0.995 196 V HN 0.615 nan 8.190 nan 0.000 0.424 197 K N 3.525 124.030 120.400 0.175 0.000 2.368 197 K HA 0.542 4.821 4.320 -0.068 0.000 0.282 197 K C -0.238 176.505 176.600 0.238 0.000 1.035 197 K CA -0.186 56.209 56.287 0.180 0.000 0.973 197 K CB 1.357 33.942 32.500 0.142 0.000 0.957 197 K HN 0.637 nan 8.250 nan 0.000 0.474 198 V N -1.303 118.759 119.914 0.248 0.000 3.102 198 V HA 0.486 4.565 4.120 -0.068 0.000 0.312 198 V C -0.410 175.830 176.094 0.242 0.000 1.135 198 V CA -1.019 61.461 62.300 0.299 0.000 1.022 198 V CB 2.144 34.172 31.823 0.342 0.000 1.056 198 V HN 0.619 nan 8.190 nan 0.000 0.436 199 S N 1.589 117.443 115.700 0.256 0.000 2.475 199 S HA 0.778 5.207 4.470 -0.068 0.000 0.281 199 S C 0.426 175.164 174.600 0.230 0.000 1.198 199 S CA 0.430 58.694 58.200 0.107 0.000 1.063 199 S CB 0.478 63.566 63.200 -0.186 0.000 0.972 199 S HN 2.255 nan 8.310 nan 0.000 0.486 200 G N 3.470 112.365 108.800 0.158 0.000 2.814 200 G HA2 -0.196 3.723 3.960 -0.068 0.000 0.677 200 G HA3 -0.196 3.723 3.960 -0.068 0.000 0.677 200 G C -0.323 174.634 174.900 0.095 0.000 1.429 200 G CA -0.447 44.731 45.100 0.130 0.000 0.868 200 G HN 0.835 nan 8.290 nan 0.000 0.553 201 N N -0.717 117.958 118.700 -0.042 0.000 2.322 201 N HA 0.620 5.319 4.740 -0.068 0.000 0.270 201 N C -0.084 175.405 175.510 -0.035 0.000 1.286 201 N CA -0.180 52.824 53.050 -0.077 0.000 0.948 201 N CB 0.599 38.942 38.487 -0.240 0.000 1.164 201 N HN 0.923 nan 8.380 nan 0.000 0.551 202 L N -0.469 120.753 121.223 -0.002 0.000 2.438 202 L HA 0.292 4.591 4.340 -0.068 0.000 0.270 202 L C 0.171 177.129 176.870 0.146 0.000 0.972 202 L CA -0.658 54.244 54.840 0.104 0.000 0.831 202 L CB 1.876 44.055 42.059 0.201 0.000 1.273 202 L HN 0.606 nan 8.230 nan 0.000 0.405 203 D N 1.401 121.926 120.400 0.208 0.000 2.818 203 D HA 0.165 4.764 4.640 -0.068 0.000 0.250 203 D C -0.018 176.471 176.300 0.314 0.000 1.496 203 D CA 0.450 54.683 54.000 0.388 0.000 1.192 203 D CB 0.561 41.632 40.800 0.452 0.000 0.963 203 D HN 0.552 nan 8.370 nan 0.000 0.259 204 N N -1.301 117.503 118.700 0.173 0.000 2.430 204 N HA 0.528 5.227 4.740 -0.068 0.000 0.298 204 N C -0.824 174.747 175.510 0.102 0.000 1.130 204 N CA -0.661 52.414 53.050 0.042 0.000 0.894 204 N CB 2.236 40.717 38.487 -0.010 0.000 1.209 204 N HN 0.434 nan 8.380 nan 0.000 0.503 205 C N -0.953 118.395 119.300 0.079 0.000 2.994 205 C HA 0.764 5.183 4.460 -0.068 0.000 0.304 205 C C -1.116 173.974 174.990 0.167 0.000 1.273 205 C CA -0.762 58.360 59.018 0.173 0.000 1.537 205 C CB 1.763 29.645 27.740 0.235 0.000 2.001 205 C HN 0.648 nan 8.230 nan 0.000 0.471 206 D N -0.582 119.968 120.400 0.251 0.000 2.752 206 D HA 0.826 5.425 4.640 -0.068 0.000 0.313 206 D C -0.853 175.441 176.300 -0.010 0.000 1.225 206 D CA 0.063 54.199 54.000 0.227 0.000 0.976 206 D CB 2.313 43.342 40.800 0.381 0.000 1.443 206 D HN 1.226 nan 8.370 nan 0.000 0.515 207 A N 0.186 122.999 122.820 -0.012 0.000 2.485 207 A HA 0.640 4.919 4.320 -0.068 0.000 0.292 207 A C -0.690 176.889 177.584 -0.007 0.000 1.147 207 A CA -0.541 51.356 52.037 -0.233 0.000 0.750 207 A CB 1.336 20.340 19.000 0.006 0.000 1.331 207 A HN 0.569 nan 8.150 nan 0.000 0.419 208 D N -1.196 119.231 120.400 0.045 0.000 2.511 208 D HA 0.222 4.821 4.640 -0.068 0.000 0.276 208 D C -0.362 175.937 176.300 -0.001 0.000 1.220 208 D CA -0.048 54.107 54.000 0.258 0.000 1.077 208 D CB 0.392 41.482 40.800 0.483 0.000 1.126 208 D HN 0.456 nan 8.370 nan 0.000 0.583 209 Y N -1.334 119.033 120.300 0.111 0.000 2.485 209 Y HA 0.199 4.708 4.550 -0.068 0.000 0.260 209 Y C 1.288 177.101 175.900 -0.146 0.000 1.173 209 Y CA -0.059 58.066 58.100 0.043 0.000 1.252 209 Y CB 0.719 39.165 38.460 -0.022 0.000 1.123 209 Y HN 0.373 nan 8.280 nan 0.000 0.524 210 E N -1.314 118.875 120.200 -0.017 0.000 2.562 210 E HA 0.212 4.521 4.350 -0.068 0.000 0.214 210 E C 1.450 178.055 176.600 0.008 0.000 0.979 210 E CA 0.431 56.706 56.400 -0.208 0.000 1.002 210 E CB 0.887 30.474 29.700 -0.189 0.000 1.048 210 E HN 0.389 nan 8.360 nan 0.000 0.488 211 G N 2.244 111.107 108.800 0.104 0.000 2.162 211 G HA2 -0.365 3.554 3.960 -0.068 0.000 0.260 211 G HA3 -0.365 3.554 3.960 -0.068 0.000 0.260 211 G C 0.943 175.830 174.900 -0.023 0.000 0.976 211 G CA 0.839 46.018 45.100 0.131 0.000 0.655 211 G HN 0.219 nan 8.290 nan 0.000 0.533 212 K N -1.508 118.743 120.400 -0.250 0.000 2.228 212 K HA 0.169 4.448 4.320 -0.068 0.000 0.202 212 K C 0.580 176.711 176.600 -0.782 0.000 1.051 212 K CA 0.960 56.826 56.287 -0.702 0.000 0.960 212 K CB 0.141 31.887 32.500 -1.256 0.000 0.743 212 K HN 0.583 nan 8.250 nan 0.000 0.458 213 W N -0.447 120.864 121.300 0.018 0.000 3.033 213 W HA 0.580 5.199 4.660 -0.068 0.000 0.336 213 W C -0.938 175.313 176.519 -0.446 0.000 1.173 213 W CA -1.236 56.051 57.345 -0.095 0.000 1.185 213 W CB 1.292 30.830 29.460 0.130 0.000 1.425 213 W HN -0.240 nan 8.180 nan 0.000 0.536 214 A N 1.646 124.275 122.820 -0.319 0.000 2.386 214 A HA 1.014 5.293 4.320 -0.068 0.000 0.308 214 A C -1.722 175.509 177.584 -0.588 0.000 1.128 214 A CA -0.721 50.837 52.037 -0.797 0.000 0.789 214 A CB 1.058 19.446 19.000 -1.021 0.000 1.325 214 A HN 0.640 nan 8.150 nan 0.000 0.437 215 F N -1.172 118.809 119.950 0.050 0.000 2.641 215 F HA 0.754 5.241 4.527 -0.067 0.000 0.308 215 F C -0.136 175.682 175.800 0.031 0.000 1.105 215 F CA -0.833 57.161 58.000 -0.011 0.000 0.964 215 F CB 1.679 40.671 39.000 -0.012 0.000 1.294 215 F HN 0.363 nan 8.300 nan 0.000 0.442 216 S N -0.102 115.716 115.700 0.197 0.000 2.540 216 S HA 0.696 5.125 4.470 -0.068 0.000 0.275 216 S C -0.650 174.027 174.600 0.128 0.000 1.123 216 S CA -0.959 57.354 58.200 0.189 0.000 0.907 216 S CB 2.101 65.439 63.200 0.231 0.000 1.081 216 S HN 0.859 nan 8.310 nan 0.000 0.476 217 T N -0.263 114.369 114.554 0.130 0.000 2.882 217 T HA 0.658 4.967 4.350 -0.068 0.000 0.287 217 T C 0.075 174.818 174.700 0.071 0.000 1.014 217 T CA -0.657 61.501 62.100 0.096 0.000 1.049 217 T CB 1.260 70.193 68.868 0.109 0.000 1.001 217 T HN 0.436 nan 8.240 nan 0.000 0.525 218 S N 0.515 116.189 115.700 -0.043 0.000 2.614 218 S HA 0.436 4.865 4.470 -0.068 0.000 0.288 218 S C -0.169 174.352 174.600 -0.131 0.000 1.137 218 S CA -0.902 57.187 58.200 -0.186 0.000 0.992 218 S CB 0.619 63.492 63.200 -0.546 0.000 1.026 218 S HN 0.845 nan 8.310 nan 0.000 0.486 219 Y N 3.549 123.820 120.300 -0.049 0.000 2.481 219 Y HA 0.535 5.044 4.550 -0.069 0.000 0.258 219 Y C 0.712 176.585 175.900 -0.044 0.000 1.103 219 Y CA -0.074 58.003 58.100 -0.038 0.000 1.287 219 Y CB -0.021 38.443 38.460 0.005 0.000 1.108 219 Y HN 0.539 nan 8.280 nan 0.000 0.529 220 N N 1.131 119.656 118.700 -0.291 0.000 2.914 220 N HA 0.081 4.780 4.740 -0.068 0.000 0.304 220 N C 0.686 176.131 175.510 -0.109 0.000 1.727 220 N CA 0.347 53.313 53.050 -0.140 0.000 0.986 220 N CB 0.154 38.515 38.487 -0.210 0.000 1.297 220 N HN 0.368 nan 8.380 nan 0.000 0.490 221 S N -0.334 115.307 115.700 -0.098 0.000 2.474 221 S HA -0.069 4.360 4.470 -0.068 0.000 0.235 221 S C 1.204 175.808 174.600 0.006 0.000 0.997 221 S CA 0.677 58.856 58.200 -0.036 0.000 0.949 221 S CB -0.074 63.111 63.200 -0.025 0.000 0.766 221 S HN 0.327 nan 8.310 nan 0.000 0.517 222 E N 1.101 121.300 120.200 -0.002 0.000 2.338 222 E HA 0.144 4.453 4.350 -0.068 0.000 0.197 222 E C 0.415 177.014 176.600 -0.001 0.000 1.007 222 E CA 0.379 56.780 56.400 0.002 0.000 0.849 222 E CB -0.402 29.304 29.700 0.010 0.000 0.774 222 E HN 0.237 nan 8.360 nan 0.000 0.506 223 M N -0.278 119.324 119.600 0.003 0.000 2.302 223 M HA -0.145 4.294 4.480 -0.068 0.000 0.200 223 M C 0.399 176.704 176.300 0.007 0.000 0.366 223 M CA 1.039 56.346 55.300 0.010 0.000 0.440 223 M CB -2.583 30.019 32.600 0.004 0.000 1.475 223 M HN 0.149 nan 8.290 nan 0.000 0.905 224 G N -0.141 108.671 108.800 0.021 0.000 2.507 224 G HA2 0.527 4.446 3.960 -0.068 0.000 0.271 224 G HA3 0.527 4.446 3.960 -0.068 0.000 0.271 224 G C 0.900 175.828 174.900 0.047 0.000 1.189 224 G CA -0.561 44.554 45.100 0.026 0.000 0.859 224 G HN 0.426 nan 8.290 nan 0.000 0.542 225 M N 0.633 120.257 119.600 0.041 0.000 2.347 225 M HA 0.186 4.625 4.480 -0.068 0.000 0.302 225 M C 0.641 176.975 176.300 0.056 0.000 1.051 225 M CA 0.093 55.428 55.300 0.059 0.000 0.988 225 M CB -0.172 32.456 32.600 0.047 0.000 1.475 225 M HN 0.679 nan 8.290 nan 0.000 0.530 226 T N -3.111 111.472 114.554 0.048 0.000 2.864 226 T HA 0.457 4.766 4.350 -0.068 0.000 0.299 226 T C 0.573 175.300 174.700 0.044 0.000 1.166 226 T CA -0.804 61.322 62.100 0.042 0.000 1.007 226 T CB 1.968 70.853 68.868 0.029 0.000 1.219 226 T HN -0.022 nan 8.240 nan 0.000 0.506 227 L N 1.226 122.470 121.223 0.035 0.000 2.021 227 L HA -0.085 4.214 4.340 -0.068 0.000 0.215 227 L C 2.303 179.188 176.870 0.026 0.000 1.074 227 L CA 2.263 57.119 54.840 0.027 0.000 0.760 227 L CB -1.089 40.978 42.059 0.012 0.000 0.889 227 L HN 0.863 nan 8.230 nan 0.000 0.433 228 E N 0.013 120.225 120.200 0.020 0.000 2.051 228 E HA -0.213 4.096 4.350 -0.068 0.000 0.192 228 E C 2.168 178.780 176.600 0.020 0.000 0.991 228 E CA 1.805 58.215 56.400 0.016 0.000 0.799 228 E CB -0.286 29.422 29.700 0.012 0.000 0.748 228 E HN 0.640 nan 8.360 nan 0.000 0.449 229 E N -0.236 119.978 120.200 0.023 0.000 2.150 229 E HA -0.085 4.224 4.350 -0.068 0.000 0.193 229 E C 1.821 178.442 176.600 0.035 0.000 0.985 229 E CA 0.813 57.226 56.400 0.023 0.000 0.814 229 E CB -0.090 29.621 29.700 0.019 0.000 0.752 229 E HN 0.296 nan 8.360 nan 0.000 0.466 230 M N 0.130 119.762 119.600 0.054 0.000 2.562 230 M HA -0.045 4.394 4.480 -0.068 0.000 0.257 230 M C 1.588 177.936 176.300 0.081 0.000 1.099 230 M CA 1.089 56.443 55.300 0.089 0.000 1.099 230 M CB 0.135 32.824 32.600 0.148 0.000 1.427 230 M HN 0.094 nan 8.290 nan 0.000 0.489 231 T N -3.699 110.883 114.554 0.047 0.000 3.084 231 T HA 0.167 4.476 4.350 -0.068 0.000 0.270 231 T C 1.338 176.050 174.700 0.020 0.000 1.008 231 T CA -0.394 61.725 62.100 0.031 0.000 0.900 231 T CB 0.170 69.047 68.868 0.015 0.000 1.084 231 T HN 0.245 nan 8.240 nan 0.000 0.538 232 K N 1.752 122.163 120.400 0.020 0.000 2.097 232 K HA 0.074 4.353 4.320 -0.068 0.000 0.205 232 K C 0.551 177.157 176.600 0.009 0.000 1.050 232 K CA 0.659 56.953 56.287 0.011 0.000 0.938 232 K CB -0.040 32.465 32.500 0.009 0.000 0.718 232 K HN 0.280 nan 8.250 nan 0.000 0.442 233 S N 0.781 116.488 115.700 0.012 0.000 2.601 233 S HA -0.011 4.418 4.470 -0.068 0.000 0.271 233 S C 0.767 175.373 174.600 0.010 0.000 1.305 233 S CA -0.492 57.714 58.200 0.009 0.000 1.022 233 S CB 1.629 64.836 63.200 0.010 0.000 0.940 233 S HN 0.372 nan 8.310 nan 0.000 0.525 234 E N 1.588 121.793 120.200 0.007 0.000 2.208 234 E HA -0.005 4.304 4.350 -0.068 0.000 0.193 234 E C -0.142 176.464 176.600 0.010 0.000 0.988 234 E CA 0.902 57.306 56.400 0.007 0.000 0.828 234 E CB 0.185 29.887 29.700 0.005 0.000 0.763 234 E HN 0.552 nan 8.360 nan 0.000 0.478 235 M N 0.758 120.366 119.600 0.013 0.000 2.501 235 M HA 0.288 4.727 4.480 -0.068 0.000 0.293 235 M C -0.860 175.453 176.300 0.021 0.000 1.192 235 M CA -0.931 54.380 55.300 0.019 0.000 0.886 235 M CB 2.255 34.868 32.600 0.022 0.000 1.710 235 M HN -0.092 nan 8.290 nan 0.000 0.457 236 D N 0.068 120.476 120.400 0.012 0.000 2.540 236 D HA 0.509 5.108 4.640 -0.068 0.000 0.229 236 D C -0.637 175.683 176.300 0.033 0.000 1.258 236 D CA 0.107 54.088 54.000 -0.031 0.000 1.158 236 D CB 0.713 41.453 40.800 -0.100 0.000 1.178 236 D HN 0.746 nan 8.370 nan 0.000 0.541 237 H N -2.260 116.832 119.070 0.037 0.000 3.003 237 H HA 0.479 4.994 4.556 -0.069 0.000 0.327 237 H C -1.704 173.625 175.328 0.001 0.000 1.353 237 H CA -0.800 55.262 56.048 0.023 0.000 1.142 237 H CB 0.773 30.576 29.762 0.068 0.000 1.864 237 H HN 0.051 nan 8.280 nan 0.000 0.529 238 V N 1.779 121.787 119.914 0.157 0.000 2.483 238 V HA 0.301 4.380 4.120 -0.068 0.000 0.295 238 V C -0.001 176.037 176.094 -0.092 0.000 1.035 238 V CA -0.794 61.538 62.300 0.054 0.000 0.896 238 V CB 1.650 33.452 31.823 -0.036 0.000 0.986 238 V HN 0.528 nan 8.190 nan 0.000 0.447 239 V N 5.334 125.116 119.914 -0.220 0.000 2.398 239 V HA 0.448 4.527 4.120 -0.068 0.000 0.286 239 V C -0.128 175.496 176.094 -0.784 0.000 1.026 239 V CA -0.603 61.260 62.300 -0.729 0.000 0.868 239 V CB 1.691 32.955 31.823 -0.931 0.000 0.982 239 V HN 0.578 nan 8.190 nan 0.000 0.443 240 V N 5.287 124.700 119.914 -0.834 0.000 2.394 240 V HA 0.475 4.554 4.120 -0.068 0.000 0.282 240 V C -0.539 175.209 176.094 -0.578 0.000 1.031 240 V CA -0.401 61.547 62.300 -0.585 0.000 0.881 240 V CB 1.266 32.669 31.823 -0.701 0.000 0.982 240 V HN 0.650 nan 8.190 nan 0.000 0.451 241 F N 3.197 123.072 119.950 -0.125 0.000 2.404 241 F HA 0.393 4.880 4.527 -0.067 0.000 0.354 241 F C 0.729 176.600 175.800 0.118 0.000 1.122 241 F CA -0.664 57.288 58.000 -0.081 0.000 1.080 241 F CB 0.939 39.743 39.000 -0.326 0.000 1.131 241 F HN 0.405 nan 8.300 nan 0.000 0.471 242 N N 4.693 123.523 118.700 0.218 0.000 2.482 242 N HA 0.093 4.792 4.740 -0.068 0.000 0.242 242 N C 1.001 176.493 175.510 -0.029 0.000 1.100 242 N CA 0.004 53.055 53.050 0.002 0.000 0.946 242 N CB 0.297 38.517 38.487 -0.445 0.000 1.227 242 N HN 0.476 nan 8.380 nan 0.000 0.508 243 I N 2.247 122.789 120.570 -0.047 0.000 2.226 243 I HA -0.216 3.913 4.170 -0.068 0.000 0.245 243 I C 2.156 178.242 176.117 -0.051 0.000 1.100 243 I CA 0.857 62.160 61.300 0.004 0.000 1.374 243 I CB -1.571 36.508 38.000 0.133 0.000 1.057 243 I HN 0.503 nan 8.210 nan 0.000 0.413 244 A N 0.517 123.278 122.820 -0.097 0.000 1.908 244 A HA -0.185 4.094 4.320 -0.068 0.000 0.218 244 A C 2.211 179.778 177.584 -0.029 0.000 1.181 244 A CA 1.441 53.440 52.037 -0.063 0.000 0.627 244 A CB -0.423 18.517 19.000 -0.100 0.000 0.818 244 A HN 0.399 nan 8.150 nan 0.000 0.445 245 E N -0.209 119.988 120.200 -0.004 0.000 2.107 245 E HA -0.091 4.218 4.350 -0.068 0.000 0.191 245 E C 2.009 178.716 176.600 0.178 0.000 0.982 245 E CA 0.901 57.363 56.400 0.103 0.000 0.809 245 E CB -0.334 29.436 29.700 0.117 0.000 0.756 245 E HN 0.740 nan 8.360 nan 0.000 0.459 246 I N 1.328 121.899 120.570 0.001 0.000 2.179 246 I HA -0.270 3.859 4.170 -0.068 0.000 0.242 246 I C 2.303 178.131 176.117 -0.482 0.000 1.088 246 I CA 1.291 62.316 61.300 -0.458 0.000 1.357 246 I CB -0.274 37.139 38.000 -0.978 0.000 1.051 246 I HN 0.059 nan 8.210 nan 0.000 0.409 247 E N 0.742 120.745 120.200 -0.329 0.000 2.077 247 E HA -0.273 4.036 4.350 -0.068 0.000 0.193 247 E C 2.143 178.705 176.600 -0.064 0.000 0.989 247 E CA 1.067 57.365 56.400 -0.171 0.000 0.800 247 E CB -0.092 29.613 29.700 0.008 0.000 0.746 247 E HN 0.346 nan 8.360 nan 0.000 0.452 248 K N 0.777 121.167 120.400 -0.016 0.000 2.020 248 K HA -0.232 4.047 4.320 -0.068 0.000 0.212 248 K C 2.136 178.771 176.600 0.057 0.000 1.050 248 K CA 1.509 57.816 56.287 0.033 0.000 0.929 248 K CB -0.152 32.380 32.500 0.054 0.000 0.714 248 K HN 0.096 nan 8.250 nan 0.000 0.443 249 A N 1.152 124.020 122.820 0.080 0.000 1.898 249 A HA -0.133 4.146 4.320 -0.068 0.000 0.216 249 A C 2.019 179.671 177.584 0.113 0.000 1.181 249 A CA 1.302 53.414 52.037 0.125 0.000 0.620 249 A CB -0.463 18.658 19.000 0.202 0.000 0.819 249 A HN 0.286 nan 8.150 nan 0.000 0.442 250 I N 0.179 120.751 120.570 0.003 0.000 2.179 250 I HA -0.228 3.901 4.170 -0.068 0.000 0.242 250 I C 2.359 178.576 176.117 0.166 0.000 1.088 250 I CA 2.000 63.334 61.300 0.057 0.000 1.357 250 I CB -1.249 36.650 38.000 -0.169 0.000 1.051 250 I HN 0.454 nan 8.210 nan 0.000 0.409 251 K N 1.257 121.710 120.400 0.089 0.000 2.063 251 K HA -0.155 4.124 4.320 -0.068 0.000 0.208 251 K C 1.934 178.593 176.600 0.099 0.000 1.048 251 K CA 1.805 58.145 56.287 0.089 0.000 0.928 251 K CB -0.081 32.453 32.500 0.058 0.000 0.713 251 K HN 0.267 nan 8.250 nan 0.000 0.442 252 A N -0.118 122.757 122.820 0.091 0.000 2.235 252 A HA 0.181 4.460 4.320 -0.068 0.000 0.208 252 A C 1.300 178.906 177.584 0.037 0.000 1.172 252 A CA 0.856 52.930 52.037 0.062 0.000 0.786 252 A CB -0.469 18.563 19.000 0.053 0.000 0.804 252 A HN 0.610 nan 8.150 nan 0.000 0.479 253 G N -0.990 107.856 108.800 0.076 0.000 2.143 253 G HA2 -0.278 3.641 3.960 -0.068 0.000 0.248 253 G HA3 -0.278 3.641 3.960 -0.068 0.000 0.248 253 G C 0.085 174.783 174.900 -0.336 0.000 0.991 253 G CA 0.373 45.381 45.100 -0.154 0.000 0.689 253 G HN 0.630 nan 8.290 nan 0.000 0.522 254 Q N -0.244 119.521 119.800 -0.058 0.000 3.027 254 Q HA 0.531 4.830 4.340 -0.068 0.000 0.260 254 Q C -0.087 175.965 176.000 0.087 0.000 1.379 254 Q CA -0.252 55.547 55.803 -0.007 0.000 1.038 254 Q CB -0.107 28.687 28.738 0.094 0.000 1.578 254 Q HN 0.850 nan 8.270 nan 0.000 0.571 255 Y N -2.978 117.329 120.300 0.012 0.000 2.677 255 Y HA 0.469 4.979 4.550 -0.067 0.000 0.334 255 Y C -1.200 174.706 175.900 0.009 0.000 1.196 255 Y CA -1.636 56.461 58.100 -0.005 0.000 1.059 255 Y CB 1.018 39.455 38.460 -0.038 0.000 1.315 255 Y HN -0.006 nan 8.280 nan 0.000 0.455 256 E N 0.734 121.073 120.200 0.232 0.000 2.204 256 E HA 0.348 4.657 4.350 -0.068 0.000 0.276 256 E C -1.434 175.317 176.600 0.251 0.000 0.974 256 E CA -1.166 55.326 56.400 0.155 0.000 0.815 256 E CB 2.157 31.917 29.700 0.100 0.000 1.119 256 E HN 0.583 nan 8.360 nan 0.000 0.393 257 E N 2.758 123.066 120.200 0.180 0.000 2.130 257 E HA 0.259 4.568 4.350 -0.068 0.000 0.284 257 E C -1.303 175.348 176.600 0.085 0.000 1.018 257 E CA -0.149 56.344 56.400 0.156 0.000 0.817 257 E CB 0.386 30.168 29.700 0.137 0.000 1.078 257 E HN 0.354 nan 8.360 nan 0.000 0.396 258 I N 4.483 125.091 120.570 0.063 0.000 2.447 258 I HA 0.267 4.396 4.170 -0.068 0.000 0.287 258 I C -0.183 175.945 176.117 0.020 0.000 1.023 258 I CA -0.956 60.368 61.300 0.039 0.000 1.083 258 I CB 1.660 39.683 38.000 0.038 0.000 1.245 258 I HN 0.540 nan 8.210 nan 0.000 0.434 259 N N 5.022 123.731 118.700 0.015 0.000 2.716 259 N HA -0.219 4.480 4.740 -0.068 0.000 0.250 259 N C 0.981 176.490 175.510 -0.002 0.000 1.033 259 N CA 1.314 54.367 53.050 0.004 0.000 0.727 259 N CB -0.694 37.790 38.487 -0.005 0.000 0.950 259 N HN 1.222 nan 8.380 nan 0.000 0.541 260 G N -2.732 106.073 108.800 0.008 0.000 2.179 260 G HA2 -0.301 3.618 3.960 -0.068 0.000 0.260 260 G HA3 -0.301 3.618 3.960 -0.068 0.000 0.260 260 G C 0.171 175.066 174.900 -0.008 0.000 0.977 260 G CA 0.869 45.972 45.100 0.004 0.000 0.641 260 G HN 1.177 nan 8.290 nan 0.000 0.533 261 V N -3.608 116.298 119.914 -0.013 0.000 3.046 261 V HA 0.852 4.931 4.120 -0.068 0.000 0.316 261 V C 0.047 176.121 176.094 -0.034 0.000 1.104 261 V CA -1.777 60.496 62.300 -0.045 0.000 1.006 261 V CB 1.740 33.516 31.823 -0.079 0.000 1.058 261 V HN 0.205 nan 8.190 nan 0.000 0.440 262 K N 1.593 121.918 120.400 -0.125 0.000 2.262 262 K HA 0.697 4.976 4.320 -0.068 0.000 0.282 262 K C -1.237 175.281 176.600 -0.137 0.000 1.066 262 K CA -0.376 55.736 56.287 -0.291 0.000 0.901 262 K CB 1.572 33.587 32.500 -0.808 0.000 1.089 262 K HN 0.582 nan 8.250 nan 0.000 0.476 263 V N 3.679 123.599 119.914 0.010 0.000 2.588 263 V HA 0.327 4.406 4.120 -0.068 0.000 0.304 263 V C -0.119 176.003 176.094 0.047 0.000 1.042 263 V CA -1.050 61.269 62.300 0.031 0.000 0.877 263 V CB 1.640 33.496 31.823 0.054 0.000 0.996 263 V HN 0.580 nan 8.190 nan 0.000 0.425 264 V N 0.071 119.955 119.914 -0.050 0.000 2.994 264 V HA 0.723 4.802 4.120 -0.068 0.000 0.318 264 V C -0.603 175.504 176.094 0.022 0.000 1.085 264 V CA -0.665 61.570 62.300 -0.109 0.000 0.998 264 V CB 2.115 33.565 31.823 -0.623 0.000 1.063 264 V HN 0.761 nan 8.190 nan 0.000 0.447 265 D N 2.029 122.523 120.400 0.158 0.000 2.412 265 D HA 0.509 5.108 4.640 -0.068 0.000 0.224 265 D C 0.711 177.215 176.300 0.340 0.000 1.093 265 D CA 0.223 54.351 54.000 0.215 0.000 0.850 265 D CB 1.194 42.102 40.800 0.181 0.000 1.046 265 D HN 0.932 nan 8.370 nan 0.000 0.507 266 G N 3.417 112.401 108.800 0.307 0.000 3.502 266 G HA2 0.040 3.959 3.960 -0.068 0.000 0.267 266 G HA3 0.040 3.959 3.960 -0.068 0.000 0.267 266 G C 0.709 175.782 174.900 0.289 0.000 1.090 266 G CA -0.362 44.944 45.100 0.345 0.000 0.795 266 G HN 0.298 nan 8.290 nan 0.000 0.535 267 R N 0.305 120.934 120.500 0.216 0.000 2.694 267 R HA 0.191 4.490 4.340 -0.068 0.000 0.268 267 R C 1.128 177.461 176.300 0.056 0.000 1.061 267 R CA -0.082 56.102 56.100 0.141 0.000 1.133 267 R CB 0.846 31.193 30.300 0.079 0.000 1.020 267 R HN 0.094 nan 8.270 nan 0.000 0.475 268 K N 1.788 122.099 120.400 -0.149 0.000 2.044 268 K HA -0.214 4.065 4.320 -0.068 0.000 0.210 268 K C 1.658 178.189 176.600 -0.114 0.000 1.049 268 K CA 1.833 57.970 56.287 -0.250 0.000 0.927 268 K CB 0.033 32.251 32.500 -0.469 0.000 0.713 268 K HN 0.611 nan 8.250 nan 0.000 0.443 269 E N 0.814 120.963 120.200 -0.085 0.000 2.338 269 E HA -0.125 4.184 4.350 -0.068 0.000 0.197 269 E C 1.777 178.364 176.600 -0.022 0.000 1.007 269 E CA 1.075 57.443 56.400 -0.053 0.000 0.849 269 E CB -0.261 29.413 29.700 -0.043 0.000 0.774 269 E HN 0.299 nan 8.360 nan 0.000 0.506 270 A N 1.979 124.802 122.820 0.005 0.000 2.067 270 A HA -0.126 4.153 4.320 -0.068 0.000 0.219 270 A C 0.875 178.455 177.584 -0.006 0.000 1.158 270 A CA 0.879 52.931 52.037 0.024 0.000 0.661 270 A CB -0.240 18.807 19.000 0.078 0.000 0.801 270 A HN 0.080 nan 8.150 nan 0.000 0.452 271 K N 0.161 120.546 120.400 -0.025 0.000 3.071 271 K HA -0.149 4.130 4.320 -0.068 0.000 0.265 271 K C 0.389 176.942 176.600 -0.079 0.000 1.060 271 K CA 0.989 57.244 56.287 -0.053 0.000 0.767 271 K CB -2.700 29.768 32.500 -0.053 0.000 1.241 271 K HN 0.906 nan 8.250 nan 0.000 0.486 272 S N -1.001 114.648 115.700 -0.084 0.000 2.655 272 S HA 0.455 4.884 4.470 -0.068 0.000 0.265 272 S C 1.348 175.797 174.600 -0.251 0.000 1.240 272 S CA -0.818 57.246 58.200 -0.227 0.000 0.986 272 S CB 1.090 64.152 63.200 -0.230 0.000 0.985 272 S HN 0.266 nan 8.310 nan 0.000 0.562 273 L N 0.363 121.306 121.223 -0.467 0.000 2.612 273 L HA 0.236 4.535 4.340 -0.068 0.000 0.230 273 L C 0.706 177.544 176.870 -0.053 0.000 1.140 273 L CA 0.115 54.829 54.840 -0.210 0.000 0.896 273 L CB -0.431 41.511 42.059 -0.195 0.000 1.065 273 L HN 0.624 nan 8.230 nan 0.000 0.447 274 F N -0.833 119.205 119.950 0.146 0.000 2.473 274 F HA 0.072 4.559 4.527 -0.067 0.000 0.294 274 F C 1.349 177.254 175.800 0.176 0.000 1.103 274 F CA -0.158 57.906 58.000 0.107 0.000 1.442 274 F CB -0.357 38.683 39.000 0.066 0.000 1.097 274 F HN -0.001 nan 8.300 nan 0.000 0.547 275 T N -1.291 113.441 114.554 0.297 0.000 2.933 275 T HA 0.699 5.008 4.350 -0.068 0.000 0.305 275 T C -0.695 173.816 174.700 -0.315 0.000 1.092 275 T CA -1.040 61.011 62.100 -0.082 0.000 1.008 275 T CB 2.927 71.623 68.868 -0.286 0.000 1.102 275 T HN -0.209 nan 8.240 nan 0.000 0.469 276 R N 1.245 121.359 120.500 -0.643 0.000 2.686 276 R HA 0.465 4.764 4.340 -0.068 0.000 0.286 276 R C -1.661 174.189 176.300 -0.751 0.000 0.969 276 R CA -0.783 54.877 56.100 -0.734 0.000 0.898 276 R CB 1.747 31.420 30.300 -1.046 0.000 1.183 276 R HN 0.767 nan 8.270 nan 0.000 0.456 277 Y N 2.133 122.145 120.300 -0.481 0.000 2.328 277 Y HA 0.483 4.992 4.550 -0.068 0.000 0.337 277 Y C 0.563 176.265 175.900 -0.329 0.000 0.966 277 Y CA -0.512 57.310 58.100 -0.464 0.000 1.136 277 Y CB 1.385 39.514 38.460 -0.551 0.000 1.170 277 Y HN 0.322 nan 8.280 nan 0.000 0.470 278 I N 6.468 126.950 120.570 -0.147 0.000 2.355 278 I HA 0.326 4.455 4.170 -0.068 0.000 0.288 278 I C -2.478 173.643 176.117 0.006 0.000 0.999 278 I CA -2.442 58.794 61.300 -0.106 0.000 1.163 278 I CB 1.605 39.504 38.000 -0.167 0.000 1.316 278 I HN 0.331 nan 8.210 nan 0.000 0.454 279 P HA 0.188 nan 4.420 nan 0.000 0.267 279 P C -0.898 176.423 177.300 0.034 0.000 1.205 279 P CA 0.201 63.331 63.100 0.050 0.000 0.765 279 P CB 0.472 32.185 31.700 0.022 0.000 0.828 280 I N 1.797 122.393 120.570 0.044 0.000 2.607 280 I HA 0.421 4.550 4.170 -0.068 0.000 0.290 280 I C -0.051 176.078 176.117 0.022 0.000 1.129 280 I CA -1.198 60.117 61.300 0.025 0.000 1.042 280 I CB 1.803 39.818 38.000 0.024 0.000 1.242 280 I HN 0.264 nan 8.210 nan 0.000 0.421 281 A N 5.279 128.107 122.820 0.015 0.000 2.327 281 A HA 0.689 4.968 4.320 -0.068 0.000 0.283 281 A C -0.163 177.427 177.584 0.011 0.000 1.127 281 A CA -0.229 51.815 52.037 0.012 0.000 0.810 281 A CB 0.451 19.455 19.000 0.007 0.000 1.066 281 A HN 0.728 nan 8.150 nan 0.000 0.492 282 N N 1.540 120.247 118.700 0.012 0.000 2.542 282 N HA 0.154 4.853 4.740 -0.068 0.000 0.288 282 N C -1.129 174.393 175.510 0.020 0.000 1.115 282 N CA -0.368 52.690 53.050 0.014 0.000 0.924 282 N CB 0.543 39.033 38.487 0.006 0.000 1.526 282 N HN 0.547 nan 8.380 nan 0.000 0.515 283 N N 1.173 119.900 118.700 0.045 0.000 2.688 283 N HA -0.127 4.572 4.740 -0.068 0.000 0.258 283 N C -2.632 172.929 175.510 0.085 0.000 1.016 283 N CA 0.591 53.696 53.050 0.092 0.000 0.747 283 N CB -0.586 37.922 38.487 0.036 0.000 0.895 283 N HN 0.548 nan 8.380 nan 0.000 0.543 284 P HA 0.012 nan 4.420 nan 0.000 0.270 284 P C 0.347 177.751 177.300 0.173 0.000 1.223 284 P CA 0.411 63.567 63.100 0.093 0.000 0.785 284 P CB 1.188 32.926 31.700 0.063 0.000 0.923 285 H N 1.245 120.317 119.070 0.003 0.000 4.025 285 H HA 0.330 4.846 4.556 -0.068 0.000 0.129 285 H C 0.789 176.116 175.328 -0.002 0.000 1.189 285 H CA 0.747 56.791 56.048 -0.007 0.000 1.007 285 H CB -0.256 29.424 29.762 -0.137 0.000 1.335 285 H HN 0.496 nan 8.280 nan 0.000 0.302 286 G N 0.220 108.856 108.800 -0.274 0.000 2.414 286 G HA2 0.278 4.197 3.960 -0.068 0.000 0.236 286 G HA3 0.278 4.197 3.960 -0.068 0.000 0.236 286 G C -0.674 174.261 174.900 0.058 0.000 1.293 286 G CA 0.329 45.337 45.100 -0.153 0.000 0.869 286 G HN 0.567 nan 8.290 nan 0.000 0.556 287 C N 3.123 122.509 119.300 0.142 0.000 2.978 287 C HA 0.517 4.936 4.460 -0.068 0.000 0.274 287 C C -0.352 174.786 174.990 0.245 0.000 1.087 287 C CA -1.232 57.889 59.018 0.172 0.000 1.453 287 C CB -1.386 26.458 27.740 0.174 0.000 1.838 287 C HN 0.744 nan 8.230 nan 0.000 0.470 288 N N 3.892 122.760 118.700 0.280 0.000 2.442 288 N HA 0.525 5.224 4.740 -0.068 0.000 0.274 288 N C -0.645 175.143 175.510 0.464 0.000 1.002 288 N CA -0.365 52.927 53.050 0.403 0.000 0.910 288 N CB 1.555 40.291 38.487 0.416 0.000 1.244 288 N HN 0.580 nan 8.380 nan 0.000 0.492 289 M N 3.044 122.881 119.600 0.395 0.000 2.146 289 M HA 0.518 4.957 4.480 -0.068 0.000 0.357 289 M C -0.461 175.878 176.300 0.066 0.000 1.261 289 M CA -0.373 55.076 55.300 0.248 0.000 1.106 289 M CB 0.600 33.389 32.600 0.316 0.000 1.612 289 M HN 0.602 nan 8.290 nan 0.000 0.470 290 A N 7.462 130.058 122.820 -0.373 0.000 2.371 290 A HA 0.567 4.846 4.320 -0.068 0.000 0.257 290 A C -1.853 175.526 177.584 -0.342 0.000 1.089 290 A CA -1.196 50.240 52.037 -1.001 0.000 0.794 290 A CB -0.345 18.031 19.000 -1.040 0.000 1.029 290 A HN 0.798 nan 8.150 nan 0.000 0.488 291 P HA -0.097 nan 4.420 nan 0.000 0.239 291 P C 0.203 177.285 177.300 -0.364 0.000 1.184 291 P CA 1.074 64.018 63.100 -0.260 0.000 0.760 291 P CB -0.057 31.595 31.700 -0.081 0.000 0.884 292 D N 0.005 120.234 120.400 -0.286 0.000 2.371 292 D HA -0.144 4.455 4.640 -0.068 0.000 0.221 292 D C 0.842 176.976 176.300 -0.277 0.000 0.986 292 D CA 0.188 54.050 54.000 -0.229 0.000 0.899 292 D CB -0.591 40.138 40.800 -0.118 0.000 0.902 292 D HN 0.095 nan 8.370 nan 0.000 0.530 293 R N -1.472 118.827 120.500 -0.335 0.000 3.954 293 R HA -0.200 4.099 4.340 -0.068 0.000 0.422 293 R C 1.004 177.218 176.300 -0.142 0.000 1.091 293 R CA 1.466 57.428 56.100 -0.231 0.000 1.168 293 R CB -1.855 28.265 30.300 -0.300 0.000 1.752 293 R HN 0.295 nan 8.270 nan 0.000 0.547 294 K N -0.573 119.660 120.400 -0.277 0.000 2.443 294 K HA 0.162 4.441 4.320 -0.068 0.000 0.200 294 K C 0.145 176.380 176.600 -0.608 0.000 1.278 294 K CA 0.144 56.139 56.287 -0.486 0.000 0.925 294 K CB 0.569 32.623 32.500 -0.744 0.000 1.225 294 K HN 0.144 nan 8.250 nan 0.000 0.514 295 H N 0.857 119.833 119.070 -0.157 0.000 2.481 295 H HA 0.229 4.744 4.556 -0.068 0.000 0.333 295 H C -1.097 174.142 175.328 -0.149 0.000 1.066 295 H CA -0.799 55.153 56.048 -0.160 0.000 1.209 295 H CB 1.679 31.363 29.762 -0.130 0.000 1.445 295 H HN -0.051 nan 8.280 nan 0.000 0.488 296 L N 3.674 124.870 121.223 -0.045 0.000 2.287 296 L HA 0.326 4.625 4.340 -0.068 0.000 0.287 296 L C -0.737 176.172 176.870 0.064 0.000 1.022 296 L CA -0.450 54.348 54.840 -0.070 0.000 0.814 296 L CB 0.538 42.382 42.059 -0.359 0.000 1.217 296 L HN 0.595 nan 8.230 nan 0.000 0.420 297 C N 4.941 124.368 119.300 0.212 0.000 2.285 297 C HA 0.596 5.015 4.460 -0.068 0.000 0.335 297 C C 0.103 175.214 174.990 0.202 0.000 1.267 297 C CA -0.931 58.255 59.018 0.280 0.000 1.762 297 C CB 0.501 28.530 27.740 0.483 0.000 2.365 297 C HN 0.574 nan 8.230 nan 0.000 0.527 298 V N 4.107 124.100 119.914 0.132 0.000 2.328 298 V HA 0.510 4.589 4.120 -0.068 0.000 0.278 298 V C 0.653 176.794 176.094 0.078 0.000 1.021 298 V CA -0.249 62.105 62.300 0.089 0.000 0.838 298 V CB 1.097 32.947 31.823 0.046 0.000 0.999 298 V HN 1.024 nan 8.190 nan 0.000 0.447 299 A N 3.752 126.617 122.820 0.075 0.000 2.454 299 A HA 0.534 4.813 4.320 -0.068 0.000 0.260 299 A C 1.501 179.105 177.584 0.033 0.000 1.106 299 A CA 0.375 52.442 52.037 0.050 0.000 0.780 299 A CB 0.560 19.577 19.000 0.027 0.000 1.044 299 A HN 1.067 nan 8.150 nan 0.000 0.498 300 G N 0.982 109.790 108.800 0.012 0.000 2.572 300 G HA2 0.020 3.939 3.960 -0.068 0.000 0.216 300 G HA3 0.020 3.939 3.960 -0.068 0.000 0.216 300 G C 1.079 175.979 174.900 0.001 0.000 1.133 300 G CA 0.822 45.925 45.100 0.005 0.000 0.791 300 G HN 1.085 nan 8.290 nan 0.000 0.538 301 K N -1.257 119.139 120.400 -0.008 0.000 9.946 301 K HA -0.327 3.952 4.320 -0.068 0.000 0.466 301 K C 1.706 178.284 176.600 -0.036 0.000 0.475 301 K CA 2.277 58.539 56.287 -0.042 0.000 1.661 301 K CB -1.468 30.981 32.500 -0.085 0.000 0.801 301 K HN 0.221 nan 8.250 nan 0.000 1.159 302 L N 0.744 121.946 121.223 -0.035 0.000 2.599 302 L HA 0.131 4.430 4.340 -0.068 0.000 0.230 302 L C 0.919 177.783 176.870 -0.010 0.000 1.141 302 L CA 0.238 55.063 54.840 -0.025 0.000 0.877 302 L CB 0.435 42.476 42.059 -0.029 0.000 1.009 302 L HN 0.237 nan 8.230 nan 0.000 0.447 303 S N 0.874 116.569 115.700 -0.009 0.000 2.472 303 S HA 0.433 4.862 4.470 -0.068 0.000 0.303 303 S C -2.245 172.346 174.600 -0.015 0.000 1.099 303 S CA -1.486 56.708 58.200 -0.009 0.000 1.077 303 S CB 1.516 64.711 63.200 -0.008 0.000 1.031 303 S HN -0.104 nan 8.310 nan 0.000 0.487 304 P HA 0.186 nan 4.420 nan 0.000 0.235 304 P C -0.310 176.955 177.300 -0.057 0.000 1.725 304 P CA -0.069 63.015 63.100 -0.026 0.000 0.894 304 P CB -0.889 30.799 31.700 -0.019 0.000 1.704 305 T N -3.518 110.998 114.554 -0.063 0.000 2.906 305 T HA 0.551 4.860 4.350 -0.068 0.000 0.295 305 T C -0.680 173.957 174.700 -0.106 0.000 1.075 305 T CA -0.854 61.185 62.100 -0.103 0.000 1.005 305 T CB 1.748 70.572 68.868 -0.073 0.000 1.136 305 T HN -0.194 nan 8.240 nan 0.000 0.498 306 V N 1.849 121.658 119.914 -0.175 0.000 2.448 306 V HA 0.509 4.588 4.120 -0.068 0.000 0.295 306 V C 0.146 176.180 176.094 -0.100 0.000 1.025 306 V CA -0.660 61.576 62.300 -0.107 0.000 0.859 306 V CB 1.838 33.595 31.823 -0.110 0.000 0.988 306 V HN 1.150 nan 8.190 nan 0.000 0.431 307 T N 4.709 119.242 114.554 -0.035 0.000 2.771 307 T HA 0.452 4.761 4.350 -0.068 0.000 0.291 307 T C -0.142 174.557 174.700 -0.002 0.000 0.954 307 T CA -0.250 61.820 62.100 -0.050 0.000 1.045 307 T CB 1.236 70.081 68.868 -0.039 0.000 0.917 307 T HN 0.362 nan 8.240 nan 0.000 0.484 308 V N 5.643 125.534 119.914 -0.040 0.000 2.370 308 V HA 0.394 4.473 4.120 -0.068 0.000 0.279 308 V C 0.048 176.125 176.094 -0.028 0.000 1.029 308 V CA -0.772 61.536 62.300 0.014 0.000 0.870 308 V CB 0.784 32.624 31.823 0.029 0.000 0.984 308 V HN 0.717 nan 8.190 nan 0.000 0.451 309 L N 3.700 124.926 121.223 0.005 0.000 2.322 309 L HA 0.566 4.865 4.340 -0.068 0.000 0.279 309 L C -0.161 176.668 176.870 -0.069 0.000 1.036 309 L CA -0.530 54.304 54.840 -0.010 0.000 0.807 309 L CB 1.674 43.765 42.059 0.053 0.000 1.226 309 L HN 0.528 nan 8.230 nan 0.000 0.433 310 D N 1.637 121.960 120.400 -0.129 0.000 2.396 310 D HA 0.137 4.736 4.640 -0.068 0.000 0.225 310 D C 0.862 176.761 176.300 -0.667 0.000 1.121 310 D CA -0.460 53.381 54.000 -0.266 0.000 0.853 310 D CB 1.933 42.671 40.800 -0.104 0.000 1.043 310 D HN 0.350 nan 8.370 nan 0.000 0.500 311 V N 2.352 121.743 119.914 -0.872 0.000 2.759 311 V HA -0.150 3.929 4.120 -0.068 0.000 0.256 311 V C 1.907 177.565 176.094 -0.727 0.000 1.080 311 V CA 2.090 63.527 62.300 -1.438 0.000 1.101 311 V CB -1.425 29.977 31.823 -0.703 0.000 0.698 311 V HN 0.659 nan 8.190 nan 0.000 0.477 312 T N -2.074 112.267 114.554 -0.356 0.000 3.051 312 T HA -0.082 4.227 4.350 -0.068 0.000 0.269 312 T C 1.613 176.280 174.700 -0.055 0.000 1.127 312 T CA 1.396 63.430 62.100 -0.109 0.000 1.107 312 T CB -0.551 68.261 68.868 -0.092 0.000 0.898 312 T HN 0.615 nan 8.240 nan 0.000 0.517 313 K N -0.415 119.899 120.400 -0.142 0.000 2.444 313 K HA 0.203 4.482 4.320 -0.068 0.000 0.193 313 K C 1.055 177.742 176.600 0.146 0.000 1.024 313 K CA -0.028 56.259 56.287 -0.000 0.000 1.077 313 K CB -0.019 32.476 32.500 -0.007 0.000 0.833 313 K HN 0.285 nan 8.250 nan 0.000 0.517 314 F N 1.992 121.881 119.950 -0.102 0.000 2.206 314 F HA -0.110 4.376 4.527 -0.069 0.000 0.298 314 F C 1.841 177.676 175.800 0.059 0.000 1.090 314 F CA 0.673 58.526 58.000 -0.245 0.000 1.323 314 F CB -0.580 37.879 39.000 -0.903 0.000 1.028 314 F HN 0.033 nan 8.300 nan 0.000 0.492 315 D N 0.260 120.951 120.400 0.486 0.000 2.123 315 D HA -0.158 4.441 4.640 -0.068 0.000 0.196 315 D C 2.327 178.891 176.300 0.440 0.000 0.992 315 D CA 1.513 55.883 54.000 0.617 0.000 0.833 315 D CB -0.339 40.789 40.800 0.546 0.000 0.954 315 D HN 0.209 nan 8.370 nan 0.000 0.455 316 A N 0.439 123.424 122.820 0.275 0.000 2.067 316 A HA -0.073 4.206 4.320 -0.068 0.000 0.219 316 A C 2.374 180.004 177.584 0.077 0.000 1.158 316 A CA 0.554 52.697 52.037 0.177 0.000 0.661 316 A CB -0.532 18.539 19.000 0.119 0.000 0.801 316 A HN 0.223 nan 8.150 nan 0.000 0.452 317 L N -2.389 118.844 121.223 0.016 0.000 2.141 317 L HA -0.111 4.188 4.340 -0.068 0.000 0.209 317 L C 2.227 178.892 176.870 -0.342 0.000 1.094 317 L CA 1.155 55.874 54.840 -0.202 0.000 0.763 317 L CB -0.453 41.377 42.059 -0.381 0.000 0.908 317 L HN 0.407 nan 8.230 nan 0.000 0.437 318 F N -2.046 117.745 119.950 -0.264 0.000 2.374 318 F HA -0.040 4.447 4.527 -0.068 0.000 0.291 318 F C 1.657 177.099 175.800 -0.597 0.000 1.084 318 F CA 0.865 58.538 58.000 -0.545 0.000 1.413 318 F CB 0.059 38.519 39.000 -0.899 0.000 1.099 318 F HN -0.088 nan 8.300 nan 0.000 0.534 319 Y N -2.583 117.846 120.300 0.216 0.000 2.453 319 Y HA 0.171 4.679 4.550 -0.069 0.000 0.247 319 Y C 0.556 176.503 175.900 0.079 0.000 1.124 319 Y CA -0.221 57.960 58.100 0.136 0.000 1.243 319 Y CB 0.635 39.180 38.460 0.141 0.000 1.213 319 Y HN -0.131 nan 8.280 nan 0.000 0.523 320 D N -0.537 119.959 120.400 0.161 0.000 2.692 320 D HA 0.090 4.689 4.640 -0.068 0.000 0.290 320 D C -0.084 176.242 176.300 0.043 0.000 1.455 320 D CA 0.008 54.071 54.000 0.104 0.000 0.796 320 D CB -0.245 40.623 40.800 0.114 0.000 1.131 320 D HN -0.012 nan 8.370 nan 0.000 0.467 321 N N -0.134 118.571 118.700 0.009 0.000 2.714 321 N HA -0.227 4.472 4.740 -0.068 0.000 0.250 321 N C -0.480 175.010 175.510 -0.034 0.000 1.117 321 N CA 0.837 53.872 53.050 -0.026 0.000 0.719 321 N CB -1.131 37.349 38.487 -0.011 0.000 1.081 321 N HN 0.392 nan 8.380 nan 0.000 0.557 322 A N -0.037 122.764 122.820 -0.031 0.000 2.445 322 A HA 0.254 4.533 4.320 -0.068 0.000 0.242 322 A C 0.490 178.039 177.584 -0.058 0.000 1.075 322 A CA -0.069 51.952 52.037 -0.028 0.000 0.777 322 A CB 0.301 19.298 19.000 -0.005 0.000 1.013 322 A HN 0.322 nan 8.150 nan 0.000 0.493 323 E N 2.075 122.250 120.200 -0.042 0.000 2.384 323 E HA 0.056 4.365 4.350 -0.068 0.000 0.266 323 E C -1.594 174.967 176.600 -0.065 0.000 1.012 323 E CA -1.354 55.016 56.400 -0.051 0.000 0.901 323 E CB 0.275 29.959 29.700 -0.028 0.000 0.967 323 E HN 0.377 nan 8.360 nan 0.000 0.435 324 P HA -0.139 nan 4.420 nan 0.000 0.216 324 P C 0.962 178.222 177.300 -0.067 0.000 1.150 324 P CA 1.131 64.161 63.100 -0.116 0.000 0.837 324 P CB 0.261 31.886 31.700 -0.125 0.000 0.786 325 R N -0.241 120.240 120.500 -0.033 0.000 2.323 325 R HA 0.067 4.366 4.340 -0.068 0.000 0.198 325 R C 2.025 178.339 176.300 0.022 0.000 0.988 325 R CA 0.881 56.981 56.100 -0.001 0.000 1.041 325 R CB -1.012 29.299 30.300 0.017 0.000 0.926 325 R HN 0.343 nan 8.270 nan 0.000 0.476 326 S N 0.434 116.142 115.700 0.014 0.000 2.440 326 S HA -0.123 4.306 4.470 -0.068 0.000 0.238 326 S C 1.992 176.619 174.600 0.045 0.000 1.010 326 S CA 1.091 59.310 58.200 0.032 0.000 0.972 326 S CB -0.058 63.155 63.200 0.021 0.000 0.774 326 S HN 0.310 nan 8.310 nan 0.000 0.501 327 A N 0.946 123.797 122.820 0.052 0.000 2.167 327 A HA 0.415 4.694 4.320 -0.068 0.000 0.214 327 A C 0.890 178.496 177.584 0.037 0.000 1.151 327 A CA 0.070 52.154 52.037 0.079 0.000 0.735 327 A CB -0.384 18.755 19.000 0.231 0.000 0.802 327 A HN 0.391 nan 8.150 nan 0.000 0.467 328 V N 1.403 121.326 119.914 0.014 0.000 2.479 328 V HA 0.129 4.208 4.120 -0.068 0.000 0.281 328 V C 1.359 177.385 176.094 -0.113 0.000 1.031 328 V CA 0.712 62.973 62.300 -0.064 0.000 1.038 328 V CB 1.080 32.860 31.823 -0.073 0.000 0.981 328 V HN 0.460 nan 8.190 nan 0.000 0.478 329 V N 1.772 121.565 119.914 -0.202 0.000 3.604 329 V HA 0.805 4.884 4.120 -0.068 0.000 0.277 329 V C 0.471 176.288 176.094 -0.461 0.000 1.399 329 V CA 0.580 62.767 62.300 -0.190 0.000 1.034 329 V CB 0.131 31.942 31.823 -0.020 0.000 0.824 329 V HN 0.917 nan 8.190 nan 0.000 0.439 330 A N 0.171 122.587 122.820 -0.674 0.000 2.612 330 A HA 0.834 5.113 4.320 -0.068 0.000 0.293 330 A C -0.790 176.450 177.584 -0.573 0.000 1.075 330 A CA -0.157 51.479 52.037 -0.668 0.000 0.680 330 A CB 1.845 20.733 19.000 -0.186 0.000 1.279 330 A HN 0.278 nan 8.150 nan 0.000 0.411 331 E N 1.340 121.339 120.200 -0.335 0.000 3.286 331 E HA 0.267 4.576 4.350 -0.068 0.000 0.309 331 E C -2.757 173.782 176.600 -0.101 0.000 1.174 331 E CA -1.215 55.086 56.400 -0.166 0.000 0.984 331 E CB 0.914 30.570 29.700 -0.073 0.000 1.401 331 E HN 0.550 nan 8.360 nan 0.000 0.388 332 P HA 0.027 nan 4.420 nan 0.000 0.271 332 P C -0.479 176.682 177.300 -0.232 0.000 1.216 332 P CA -0.041 62.917 63.100 -0.237 0.000 0.776 332 P CB 0.949 32.378 31.700 -0.451 0.000 0.881 333 E N 2.384 122.496 120.200 -0.148 0.000 2.180 333 E HA 0.137 4.446 4.350 -0.068 0.000 0.283 333 E C 0.284 176.790 176.600 -0.156 0.000 1.061 333 E CA -0.266 56.059 56.400 -0.125 0.000 0.861 333 E CB 0.113 29.772 29.700 -0.067 0.000 1.056 333 E HN 0.420 nan 8.360 nan 0.000 0.407 334 L N 3.625 124.742 121.223 -0.177 0.000 2.537 334 L HA 0.439 4.738 4.340 -0.068 0.000 0.224 334 L C 1.002 177.825 176.870 -0.079 0.000 1.065 334 L CA 0.411 55.145 54.840 -0.177 0.000 0.860 334 L CB 0.478 42.375 42.059 -0.270 0.000 1.086 334 L HN 0.757 nan 8.230 nan 0.000 0.482 335 G N -0.080 108.689 108.800 -0.052 0.000 2.369 335 G HA2 0.065 3.984 3.960 -0.068 0.000 0.295 335 G HA3 0.065 3.984 3.960 -0.068 0.000 0.295 335 G C -1.464 173.438 174.900 0.004 0.000 1.298 335 G CA -1.018 44.074 45.100 -0.013 0.000 0.940 335 G HN -0.124 nan 8.290 nan 0.000 0.536 336 L N 1.200 122.438 121.223 0.025 0.000 2.319 336 L HA 0.476 4.775 4.340 -0.068 0.000 0.280 336 L C 1.493 178.409 176.870 0.076 0.000 1.099 336 L CA 0.879 55.744 54.840 0.042 0.000 0.828 336 L CB 0.951 43.038 42.059 0.046 0.000 1.150 336 L HN 2.115 nan 8.230 nan 0.000 0.442 337 G N 3.326 112.168 108.800 0.070 0.000 2.289 337 G HA2 -0.164 3.755 3.960 -0.068 0.000 0.280 337 G HA3 -0.164 3.755 3.960 -0.068 0.000 0.280 337 G C -2.560 172.396 174.900 0.094 0.000 1.089 337 G CA -0.986 44.170 45.100 0.094 0.000 0.939 337 G HN 0.415 nan 8.290 nan 0.000 0.499 338 P HA 0.337 nan 4.420 nan 0.000 0.271 338 P C 0.985 178.304 177.300 0.033 0.000 1.226 338 P CA -0.172 62.962 63.100 0.056 0.000 0.765 338 P CB 0.959 32.672 31.700 0.022 0.000 0.835 339 L N 2.192 123.444 121.223 0.048 0.000 2.515 339 L HA 0.240 4.539 4.340 -0.068 0.000 0.202 339 L C 0.859 177.560 176.870 -0.281 0.000 1.056 339 L CA 0.532 55.337 54.840 -0.058 0.000 0.847 339 L CB 0.007 42.076 42.059 0.017 0.000 1.131 339 L HN 0.464 nan 8.230 nan 0.000 0.484 340 H N -1.036 118.108 119.070 0.123 0.000 3.016 340 H HA 0.437 4.952 4.556 -0.068 0.000 0.362 340 H C -1.212 174.177 175.328 0.101 0.000 1.233 340 H CA -0.452 55.647 56.048 0.085 0.000 1.124 340 H CB 2.335 32.106 29.762 0.014 0.000 1.850 340 H HN -0.198 nan 8.280 nan 0.000 0.549 341 T N 1.125 115.796 114.554 0.195 0.000 2.881 341 T HA 0.656 4.965 4.350 -0.068 0.000 0.290 341 T C -0.294 174.237 174.700 -0.281 0.000 1.000 341 T CA -0.650 61.448 62.100 -0.003 0.000 0.978 341 T CB 1.912 70.786 68.868 0.011 0.000 0.997 341 T HN 0.716 nan 8.240 nan 0.000 0.443 342 A N 2.479 125.086 122.820 -0.355 0.000 2.346 342 A HA 0.990 5.269 4.320 -0.068 0.000 0.313 342 A C -1.474 175.747 177.584 -0.604 0.000 1.140 342 A CA -0.792 51.010 52.037 -0.393 0.000 0.826 342 A CB 1.023 19.997 19.000 -0.042 0.000 1.332 342 A HN 0.733 nan 8.150 nan 0.000 0.457 343 F N 0.481 120.555 119.950 0.207 0.000 2.569 343 F HA 0.416 4.902 4.527 -0.069 0.000 0.312 343 F C -0.005 175.899 175.800 0.174 0.000 1.109 343 F CA -0.720 57.380 58.000 0.167 0.000 0.919 343 F CB 2.165 41.223 39.000 0.097 0.000 1.211 343 F HN 0.746 nan 8.300 nan 0.000 0.446 344 D N 0.598 121.232 120.400 0.390 0.000 2.506 344 D HA 0.347 4.946 4.640 -0.068 0.000 0.272 344 D C 1.009 177.411 176.300 0.170 0.000 1.214 344 D CA -0.725 53.422 54.000 0.246 0.000 1.067 344 D CB 0.666 41.624 40.800 0.264 0.000 1.117 344 D HN 0.593 nan 8.370 nan 0.000 0.578 345 G N -1.455 107.409 108.800 0.106 0.000 3.181 345 G HA2 0.019 3.938 3.960 -0.068 0.000 0.219 345 G HA3 0.019 3.938 3.960 -0.068 0.000 0.219 345 G C 0.765 175.690 174.900 0.041 0.000 1.182 345 G CA -0.347 44.791 45.100 0.063 0.000 0.791 345 G HN 0.350 nan 8.290 nan 0.000 0.537 346 R N -0.695 119.836 120.500 0.052 0.000 2.596 346 R HA 0.294 4.593 4.340 -0.068 0.000 0.369 346 R C 1.392 177.695 176.300 0.006 0.000 1.042 346 R CA 0.329 56.446 56.100 0.028 0.000 1.120 346 R CB 0.837 31.160 30.300 0.038 0.000 1.353 346 R HN 0.236 nan 8.270 nan 0.000 0.564 347 G N 0.964 109.764 108.800 -0.000 0.000 2.157 347 G HA2 -0.244 3.675 3.960 -0.068 0.000 0.248 347 G HA3 -0.244 3.675 3.960 -0.068 0.000 0.248 347 G C -0.295 174.550 174.900 -0.091 0.000 0.979 347 G CA -0.295 44.781 45.100 -0.040 0.000 0.650 347 G HN 0.276 nan 8.290 nan 0.000 0.529 348 N N 0.596 119.247 118.700 -0.082 0.000 2.492 348 N HA 0.708 5.407 4.740 -0.068 0.000 0.289 348 N C 0.120 175.443 175.510 -0.312 0.000 1.133 348 N CA 0.485 53.376 53.050 -0.265 0.000 0.961 348 N CB 1.819 40.120 38.487 -0.311 0.000 1.186 348 N HN 0.709 nan 8.380 nan 0.000 0.493 349 A N 1.156 123.525 122.820 -0.752 0.000 2.355 349 A HA 0.708 4.987 4.320 -0.068 0.000 0.324 349 A C -1.655 175.373 177.584 -0.927 0.000 1.117 349 A CA -0.542 51.007 52.037 -0.812 0.000 0.785 349 A CB 0.736 18.904 19.000 -1.387 0.000 1.254 349 A HN 0.623 nan 8.150 nan 0.000 0.453 350 Y N 0.446 120.599 120.300 -0.245 0.000 2.329 350 Y HA 0.520 5.029 4.550 -0.068 0.000 0.328 350 Y C 0.270 176.214 175.900 0.074 0.000 0.992 350 Y CA -0.346 57.743 58.100 -0.019 0.000 1.151 350 Y CB 2.500 40.950 38.460 -0.017 0.000 1.150 350 Y HN 0.569 nan 8.280 nan 0.000 0.450 351 T N 2.218 116.974 114.554 0.336 0.000 2.829 351 T HA 0.389 4.698 4.350 -0.068 0.000 0.280 351 T C -0.344 174.497 174.700 0.234 0.000 0.999 351 T CA -1.049 61.234 62.100 0.305 0.000 0.983 351 T CB 0.955 70.057 68.868 0.389 0.000 0.968 351 T HN 0.582 nan 8.240 nan 0.000 0.446 352 S N 3.353 119.181 115.700 0.213 0.000 2.523 352 S HA 0.490 4.919 4.470 -0.068 0.000 0.275 352 S C -0.190 174.515 174.600 0.175 0.000 1.281 352 S CA -0.886 57.432 58.200 0.197 0.000 1.050 352 S CB -0.036 63.301 63.200 0.229 0.000 0.937 352 S HN 0.568 nan 8.310 nan 0.000 0.492 353 L N 4.201 125.517 121.223 0.154 0.000 2.297 353 L HA 0.392 4.691 4.340 -0.068 0.000 0.277 353 L C 0.696 177.668 176.870 0.170 0.000 1.040 353 L CA -0.617 54.308 54.840 0.141 0.000 0.867 353 L CB 0.425 42.541 42.059 0.095 0.000 1.244 353 L HN 0.802 nan 8.230 nan 0.000 0.433 354 F N 2.832 122.817 119.950 0.057 0.000 2.134 354 F HA -0.184 4.302 4.527 -0.068 0.000 0.299 354 F C 1.703 177.551 175.800 0.080 0.000 1.097 354 F CA 1.771 59.810 58.000 0.065 0.000 1.264 354 F CB 0.264 39.284 39.000 0.034 0.000 1.001 354 F HN 0.387 nan 8.300 nan 0.000 0.479 355 L N -0.601 120.745 121.223 0.204 0.000 2.127 355 L HA -0.086 4.213 4.340 -0.068 0.000 0.203 355 L C 1.800 178.692 176.870 0.038 0.000 1.080 355 L CA 0.821 55.731 54.840 0.116 0.000 0.768 355 L CB -0.608 41.547 42.059 0.161 0.000 0.924 355 L HN -0.060 nan 8.230 nan 0.000 0.444 356 D N -0.315 120.117 120.400 0.053 0.000 2.312 356 D HA -0.111 4.488 4.640 -0.068 0.000 0.211 356 D C 1.090 177.410 176.300 0.033 0.000 0.964 356 D CA 0.579 54.602 54.000 0.039 0.000 0.877 356 D CB 0.080 40.906 40.800 0.043 0.000 0.924 356 D HN 0.093 nan 8.370 nan 0.000 0.515 357 S N -0.078 115.633 115.700 0.018 0.000 3.697 357 S HA -0.224 4.205 4.470 -0.068 0.000 0.388 357 S C -0.326 174.296 174.600 0.037 0.000 0.941 357 S CA 0.453 58.663 58.200 0.016 0.000 1.247 357 S CB -1.201 62.026 63.200 0.045 0.000 0.904 357 S HN 0.378 nan 8.310 nan 0.000 0.518 358 Q N -0.102 119.731 119.800 0.055 0.000 2.456 358 Q HA 0.669 4.968 4.340 -0.068 0.000 0.284 358 Q C -0.901 175.158 176.000 0.098 0.000 1.061 358 Q CA -1.031 54.812 55.803 0.067 0.000 0.799 358 Q CB 2.156 30.933 28.738 0.066 0.000 1.445 358 Q HN 0.224 nan 8.270 nan 0.000 0.411 359 V N 1.648 121.629 119.914 0.112 0.000 2.427 359 V HA 0.385 4.464 4.120 -0.068 0.000 0.286 359 V C -0.481 175.714 176.094 0.169 0.000 1.034 359 V CA -0.602 61.793 62.300 0.159 0.000 0.893 359 V CB 1.547 33.476 31.823 0.176 0.000 0.982 359 V HN 0.492 nan 8.190 nan 0.000 0.452 360 V N 4.912 124.944 119.914 0.197 0.000 2.417 360 V HA 0.441 4.520 4.120 -0.068 0.000 0.291 360 V C 0.044 176.294 176.094 0.261 0.000 1.024 360 V CA -0.893 61.526 62.300 0.198 0.000 0.861 360 V CB 1.525 33.442 31.823 0.158 0.000 0.985 360 V HN 0.860 nan 8.190 nan 0.000 0.436 361 K N 6.401 126.899 120.400 0.163 0.000 2.211 361 K HA 0.478 4.758 4.320 -0.068 0.000 0.275 361 K C -1.196 175.450 176.600 0.077 0.000 1.024 361 K CA -0.552 55.698 56.287 -0.061 0.000 0.887 361 K CB 1.213 33.652 32.500 -0.102 0.000 1.084 361 K HN 0.847 nan 8.250 nan 0.000 0.463 362 W N 2.786 123.946 121.300 -0.233 0.000 3.083 362 W HA 0.371 4.991 4.660 -0.068 0.000 0.333 362 W C -1.547 174.898 176.519 -0.124 0.000 1.217 362 W CA -1.054 56.214 57.345 -0.129 0.000 1.170 362 W CB 0.268 29.684 29.460 -0.073 0.000 1.437 362 W HN 0.448 nan 8.180 nan 0.000 0.557 363 N N 1.669 120.401 118.700 0.053 0.000 2.408 363 N HA 0.269 4.968 4.740 -0.068 0.000 0.280 363 N C 0.682 176.188 175.510 -0.007 0.000 1.002 363 N CA -0.302 52.703 53.050 -0.075 0.000 0.907 363 N CB 1.533 40.009 38.487 -0.020 0.000 1.161 363 N HN 0.496 nan 8.380 nan 0.000 0.488 364 I N 2.210 122.674 120.570 -0.175 0.000 2.163 364 I HA -0.228 3.901 4.170 -0.068 0.000 0.240 364 I C 1.364 177.446 176.117 -0.059 0.000 1.081 364 I CA 0.928 62.150 61.300 -0.131 0.000 1.353 364 I CB -0.048 37.806 38.000 -0.245 0.000 1.054 364 I HN 0.497 nan 8.210 nan 0.000 0.407 365 D N 0.803 121.158 120.400 -0.075 0.000 2.178 365 D HA -0.171 4.428 4.640 -0.068 0.000 0.201 365 D C 2.103 178.403 176.300 0.000 0.000 0.980 365 D CA 1.140 55.109 54.000 -0.050 0.000 0.842 365 D CB -0.189 40.595 40.800 -0.026 0.000 0.948 365 D HN 0.429 nan 8.370 nan 0.000 0.472 366 E N 0.458 120.674 120.200 0.028 0.000 2.106 366 E HA -0.084 4.225 4.350 -0.068 0.000 0.192 366 E C 2.095 178.743 176.600 0.080 0.000 0.984 366 E CA 0.817 57.248 56.400 0.053 0.000 0.806 366 E CB -0.006 29.730 29.700 0.060 0.000 0.750 366 E HN 0.186 nan 8.360 nan 0.000 0.458 367 A N 1.220 124.116 122.820 0.127 0.000 1.933 367 A HA -0.173 4.106 4.320 -0.068 0.000 0.218 367 A C 2.144 179.787 177.584 0.097 0.000 1.175 367 A CA 1.008 53.129 52.037 0.139 0.000 0.628 367 A CB -0.513 18.643 19.000 0.259 0.000 0.814 367 A HN 0.141 nan 8.150 nan 0.000 0.444 368 I N -1.073 119.527 120.570 0.049 0.000 2.252 368 I HA -0.263 3.866 4.170 -0.068 0.000 0.245 368 I C 2.807 178.979 176.117 0.092 0.000 1.102 368 I CA 1.331 62.652 61.300 0.035 0.000 1.385 368 I CB -0.281 37.687 38.000 -0.054 0.000 1.064 368 I HN 0.301 nan 8.210 nan 0.000 0.414 369 R N 0.649 121.187 120.500 0.064 0.000 2.073 369 R HA -0.147 4.152 4.340 -0.068 0.000 0.234 369 R C 2.476 178.817 176.300 0.068 0.000 1.134 369 R CA 1.586 57.721 56.100 0.058 0.000 0.952 369 R CB -0.578 29.746 30.300 0.040 0.000 0.850 369 R HN 0.352 nan 8.270 nan 0.000 0.433 370 A N 0.373 123.239 122.820 0.076 0.000 1.908 370 A HA -0.247 4.032 4.320 -0.068 0.000 0.218 370 A C 2.014 179.653 177.584 0.092 0.000 1.181 370 A CA 1.439 53.518 52.037 0.070 0.000 0.627 370 A CB -0.834 18.206 19.000 0.068 0.000 0.818 370 A HN 0.459 nan 8.150 nan 0.000 0.445 371 Y N 0.400 120.697 120.300 -0.005 0.000 2.274 371 Y HA -0.067 4.442 4.550 -0.068 0.000 0.290 371 Y C 2.512 178.409 175.900 -0.005 0.000 1.145 371 Y CA 0.990 59.085 58.100 -0.009 0.000 1.203 371 Y CB -0.294 38.161 38.460 -0.008 0.000 0.984 371 Y HN 0.308 nan 8.280 nan 0.000 0.533 372 A N -1.307 121.554 122.820 0.068 0.000 2.206 372 A HA 0.332 4.611 4.320 -0.068 0.000 0.211 372 A C 1.935 179.495 177.584 -0.040 0.000 1.158 372 A CA 1.116 53.153 52.037 0.000 0.000 0.761 372 A CB -0.875 18.153 19.000 0.047 0.000 0.801 372 A HN 0.773 nan 8.150 nan 0.000 0.473 373 G N -0.952 107.826 108.800 -0.037 0.000 2.296 373 G HA2 -0.175 3.744 3.960 -0.068 0.000 0.188 373 G HA3 -0.175 3.744 3.960 -0.068 0.000 0.188 373 G C 0.056 174.946 174.900 -0.017 0.000 1.000 373 G CA 0.159 45.234 45.100 -0.042 0.000 0.672 373 G HN 0.635 nan 8.290 nan 0.000 0.483 374 E N 1.492 121.692 120.200 0.000 0.000 2.452 374 E HA 0.310 4.619 4.350 -0.068 0.000 0.261 374 E C 0.076 176.680 176.600 0.007 0.000 0.987 374 E CA -0.144 56.260 56.400 0.007 0.000 0.926 374 E CB 0.372 30.081 29.700 0.016 0.000 0.934 374 E HN -0.004 nan 8.360 nan 0.000 0.452 375 K N 5.448 125.851 120.400 0.005 0.000 2.111 375 K HA 0.269 4.548 4.320 -0.068 0.000 0.249 375 K C -0.420 176.186 176.600 0.011 0.000 1.157 375 K CA 0.068 56.358 56.287 0.005 0.000 1.048 375 K CB -0.652 31.849 32.500 0.002 0.000 1.498 375 K HN 0.496 nan 8.250 nan 0.000 0.344 376 I N 1.278 121.858 120.570 0.016 0.000 2.692 376 I HA 0.208 4.337 4.170 -0.068 0.000 0.293 376 I C -1.361 174.773 176.117 0.027 0.000 1.200 376 I CA -0.766 60.548 61.300 0.023 0.000 1.036 376 I CB 2.143 40.159 38.000 0.027 0.000 1.258 376 I HN 0.209 nan 8.210 nan 0.000 0.421 377 N N 8.752 127.469 118.700 0.028 0.000 2.437 377 N HA 0.441 5.140 4.740 -0.068 0.000 0.259 377 N C -2.009 173.531 175.510 0.049 0.000 0.983 377 N CA -2.307 50.761 53.050 0.031 0.000 0.937 377 N CB 1.598 40.099 38.487 0.024 0.000 1.122 377 N HN 0.354 nan 8.380 nan 0.000 0.499 378 P HA 0.088 nan 4.420 nan 0.000 0.241 378 P C 0.192 177.584 177.300 0.153 0.000 1.191 378 P CA 0.406 63.578 63.100 0.119 0.000 0.771 378 P CB 0.443 32.244 31.700 0.169 0.000 0.929 379 I N 0.753 121.388 120.570 0.107 0.000 2.471 379 I HA 0.057 4.186 4.170 -0.068 0.000 0.286 379 I C 1.540 177.708 176.117 0.084 0.000 1.079 379 I CA -0.138 61.230 61.300 0.114 0.000 1.398 379 I CB 0.823 38.858 38.000 0.058 0.000 1.403 379 I HN -0.237 nan 8.210 nan 0.000 0.530 380 K N 2.997 123.448 120.400 0.085 0.000 2.287 380 K HA 0.239 4.518 4.320 -0.068 0.000 0.199 380 K C -0.182 176.452 176.600 0.057 0.000 1.061 380 K CA 0.512 56.832 56.287 0.055 0.000 0.976 380 K CB 0.147 32.666 32.500 0.032 0.000 0.898 380 K HN 0.622 nan 8.250 nan 0.000 0.492 381 D N -0.422 120.021 120.400 0.071 0.000 2.685 381 D HA 0.266 4.865 4.640 -0.068 0.000 0.236 381 D C -1.720 174.634 176.300 0.090 0.000 1.233 381 D CA -0.417 53.628 54.000 0.075 0.000 0.760 381 D CB 1.317 42.168 40.800 0.085 0.000 1.410 381 D HN -0.242 nan 8.370 nan 0.000 0.439 382 K N 1.553 122.001 120.400 0.080 0.000 2.443 382 K HA 0.606 4.885 4.320 -0.068 0.000 0.252 382 K C -1.340 175.306 176.600 0.076 0.000 0.933 382 K CA -1.046 55.291 56.287 0.084 0.000 0.792 382 K CB 2.538 35.077 32.500 0.065 0.000 1.185 382 K HN 0.326 nan 8.250 nan 0.000 0.425 383 L N 2.478 123.752 121.223 0.086 0.000 2.356 383 L HA 0.377 4.676 4.340 -0.068 0.000 0.277 383 L C -1.021 175.881 176.870 0.053 0.000 0.996 383 L CA -0.323 54.559 54.840 0.069 0.000 0.822 383 L CB 1.350 43.459 42.059 0.083 0.000 1.256 383 L HN 0.481 nan 8.230 nan 0.000 0.413 384 D N 4.027 124.446 120.400 0.032 0.000 2.424 384 D HA 0.378 4.977 4.640 -0.068 0.000 0.244 384 D C -0.068 176.220 176.300 -0.019 0.000 1.134 384 D CA 0.377 54.384 54.000 0.013 0.000 0.881 384 D CB 1.499 42.304 40.800 0.008 0.000 1.191 384 D HN 0.453 nan 8.370 nan 0.000 0.445 385 V N -0.085 119.805 119.914 -0.041 0.000 3.074 385 V HA 0.655 4.734 4.120 -0.068 0.000 0.314 385 V C -0.932 175.017 176.094 -0.242 0.000 1.117 385 V CA -0.993 61.248 62.300 -0.097 0.000 1.014 385 V CB 2.127 33.936 31.823 -0.024 0.000 1.057 385 V HN 0.220 nan 8.190 nan 0.000 0.438 386 Q N 1.343 120.905 119.800 -0.396 0.000 2.616 386 Q HA 0.714 5.013 4.340 -0.068 0.000 0.250 386 Q C -1.821 173.888 176.000 -0.485 0.000 0.991 386 Q CA 0.077 55.260 55.803 -1.033 0.000 0.707 386 Q CB 1.432 29.464 28.738 -1.177 0.000 1.247 386 Q HN 0.814 nan 8.270 nan 0.000 0.491 387 Y N 0.042 120.372 120.300 0.051 0.000 2.544 387 Y HA 0.423 4.932 4.550 -0.068 0.000 0.342 387 Y C -0.417 175.485 175.900 0.003 0.000 1.062 387 Y CA -1.266 56.855 58.100 0.035 0.000 1.023 387 Y CB 1.903 40.404 38.460 0.068 0.000 1.308 387 Y HN 0.293 nan 8.280 nan 0.000 0.457 388 Q N 0.771 120.584 119.800 0.022 0.000 2.430 388 Q HA -0.116 4.183 4.340 -0.068 0.000 0.333 388 Q C -2.828 173.102 176.000 -0.118 0.000 1.447 388 Q CA 0.040 55.628 55.803 -0.360 0.000 0.852 388 Q CB -1.004 27.403 28.738 -0.551 0.000 1.101 388 Q HN 0.288 nan 8.270 nan 0.000 0.345 389 P HA 0.219 nan 4.420 nan 0.000 0.276 389 P C 0.475 177.959 177.300 0.306 0.000 1.230 389 P CA 0.471 63.665 63.100 0.156 0.000 0.776 389 P CB 1.563 33.345 31.700 0.137 0.000 0.888 390 G N 2.568 111.527 108.800 0.264 0.000 3.198 390 G HA2 0.133 4.052 3.960 -0.068 0.000 0.203 390 G HA3 0.133 4.052 3.960 -0.068 0.000 0.203 390 G C 0.071 175.152 174.900 0.301 0.000 1.950 390 G CA -0.103 45.179 45.100 0.303 0.000 0.798 390 G HN 0.548 nan 8.290 nan 0.000 0.720 391 H N 0.604 119.768 119.070 0.157 0.000 2.852 391 H HA 0.357 4.873 4.556 -0.067 0.000 0.362 391 H C 0.036 175.377 175.328 0.021 0.000 1.122 391 H CA 0.803 56.812 56.048 -0.064 0.000 1.419 391 H CB 0.974 30.611 29.762 -0.209 0.000 1.401 391 H HN 0.404 nan 8.280 nan 0.000 0.609 392 L N -0.330 120.985 121.223 0.154 0.000 2.465 392 L HA 0.759 5.058 4.340 -0.068 0.000 0.257 392 L C -1.216 175.695 176.870 0.068 0.000 0.988 392 L CA -1.113 53.786 54.840 0.099 0.000 0.827 392 L CB 2.588 44.718 42.059 0.117 0.000 1.397 392 L HN 0.307 nan 8.230 nan 0.000 0.410 393 K N 0.997 121.413 120.400 0.027 0.000 2.542 393 K HA 0.600 4.879 4.320 -0.068 0.000 0.259 393 K C -0.802 175.807 176.600 0.015 0.000 0.932 393 K CA -0.029 56.274 56.287 0.027 0.000 0.820 393 K CB 2.241 34.739 32.500 -0.002 0.000 1.345 393 K HN 0.965 nan 8.250 nan 0.000 0.432 394 T N -1.046 113.526 114.554 0.030 0.000 2.912 394 T HA 0.477 4.786 4.350 -0.068 0.000 0.280 394 T C -0.135 174.591 174.700 0.043 0.000 0.989 394 T CA -0.880 61.230 62.100 0.017 0.000 0.995 394 T CB 1.124 70.003 68.868 0.020 0.000 1.077 394 T HN 0.174 nan 8.240 nan 0.000 0.531 395 V N 3.448 123.359 119.914 -0.004 0.000 2.450 395 V HA 0.090 4.169 4.120 -0.068 0.000 0.281 395 V C 1.161 177.261 176.094 0.010 0.000 1.019 395 V CA 0.216 62.465 62.300 -0.085 0.000 1.062 395 V CB -0.760 30.848 31.823 -0.359 0.000 0.979 395 V HN 1.034 nan 8.190 nan 0.000 0.477 396 M N 3.067 122.729 119.600 0.103 0.000 2.682 396 M HA -0.210 4.229 4.480 -0.068 0.000 0.196 396 M C 1.452 177.809 176.300 0.095 0.000 0.542 396 M CA 0.986 56.355 55.300 0.115 0.000 0.593 396 M CB -1.528 31.112 32.600 0.066 0.000 2.183 396 M HN 0.802 nan 8.290 nan 0.000 0.663 397 G N 0.236 109.136 108.800 0.167 0.000 2.509 397 G HA2 -0.120 3.799 3.960 -0.068 0.000 0.218 397 G HA3 -0.120 3.799 3.960 -0.068 0.000 0.218 397 G C 0.965 176.065 174.900 0.333 0.000 1.124 397 G CA 0.819 46.061 45.100 0.237 0.000 0.776 397 G HN 0.705 nan 8.290 nan 0.000 0.547 398 E N 0.087 120.476 120.200 0.316 0.000 2.419 398 E HA 0.159 4.468 4.350 -0.068 0.000 0.190 398 E C 0.656 177.501 176.600 0.408 0.000 1.040 398 E CA 0.006 56.646 56.400 0.400 0.000 0.900 398 E CB 0.415 30.396 29.700 0.469 0.000 1.054 398 E HN 0.438 nan 8.360 nan 0.000 0.462 399 T N -3.956 110.758 114.554 0.265 0.000 2.865 399 T HA 0.318 4.627 4.350 -0.068 0.000 0.294 399 T C 0.821 175.673 174.700 0.254 0.000 1.119 399 T CA -0.801 61.465 62.100 0.277 0.000 1.007 399 T CB 0.894 69.633 68.868 -0.216 0.000 1.225 399 T HN -0.035 nan 8.240 nan 0.000 0.515 400 L N 0.145 121.515 121.223 0.244 0.000 2.353 400 L HA 0.034 4.333 4.340 -0.068 0.000 0.220 400 L C 1.227 178.127 176.870 0.049 0.000 1.133 400 L CA 1.051 55.932 54.840 0.068 0.000 0.798 400 L CB -0.328 41.786 42.059 0.092 0.000 0.922 400 L HN 0.686 nan 8.230 nan 0.000 0.445 401 D N 0.828 121.261 120.400 0.055 0.000 2.336 401 D HA 0.145 4.744 4.640 -0.068 0.000 0.228 401 D C 0.906 177.241 176.300 0.057 0.000 1.120 401 D CA 0.115 54.145 54.000 0.051 0.000 0.839 401 D CB 0.119 40.951 40.800 0.052 0.000 0.932 401 D HN 0.144 nan 8.370 nan 0.000 0.509 402 A N 0.859 123.721 122.820 0.070 0.000 2.584 402 A HA 0.341 4.620 4.320 -0.068 0.000 0.239 402 A C 0.689 178.318 177.584 0.075 0.000 1.043 402 A CA 0.308 52.400 52.037 0.093 0.000 0.756 402 A CB 0.252 19.337 19.000 0.141 0.000 0.963 402 A HN 0.251 nan 8.150 nan 0.000 0.511 403 A N 2.399 125.255 122.820 0.060 0.000 2.282 403 A HA 0.700 4.979 4.320 -0.068 0.000 0.324 403 A C 0.575 178.175 177.584 0.027 0.000 1.119 403 A CA -0.728 51.334 52.037 0.043 0.000 0.880 403 A CB 0.682 19.699 19.000 0.028 0.000 1.294 403 A HN 0.775 nan 8.150 nan 0.000 0.493 404 N N -0.446 118.256 118.700 0.003 0.000 2.177 404 N HA 0.036 4.735 4.740 -0.068 0.000 0.218 404 N C -0.262 175.184 175.510 -0.107 0.000 1.182 404 N CA 0.704 53.742 53.050 -0.021 0.000 0.882 404 N CB 0.576 39.061 38.487 -0.003 0.000 1.052 404 N HN 0.729 nan 8.380 nan 0.000 0.519 405 D N -0.817 119.479 120.400 -0.173 0.000 2.290 405 D HA -0.021 4.578 4.640 -0.068 0.000 0.224 405 D C 0.198 176.144 176.300 -0.591 0.000 0.967 405 D CA 0.634 54.361 54.000 -0.454 0.000 0.893 405 D CB -0.217 40.261 40.800 -0.537 0.000 1.037 405 D HN 0.099 nan 8.370 nan 0.000 0.477 406 W N -0.260 121.011 121.300 -0.049 0.000 2.864 406 W HA 0.629 5.248 4.660 -0.068 0.000 0.343 406 W C -1.158 175.290 176.519 -0.118 0.000 1.109 406 W CA -1.316 55.994 57.345 -0.058 0.000 1.192 406 W CB 1.916 31.363 29.460 -0.022 0.000 1.426 406 W HN -0.132 nan 8.180 nan 0.000 0.529 407 L N 2.559 123.900 121.223 0.197 0.000 2.436 407 L HA 0.753 5.052 4.340 -0.068 0.000 0.268 407 L C -1.446 175.487 176.870 0.106 0.000 0.974 407 L CA -0.775 54.081 54.840 0.028 0.000 0.826 407 L CB 1.850 43.812 42.059 -0.162 0.000 1.291 407 L HN 0.221 nan 8.230 nan 0.000 0.406 408 V N 3.988 123.954 119.914 0.086 0.000 2.398 408 V HA 0.425 4.504 4.120 -0.068 0.000 0.286 408 V C -0.390 175.757 176.094 0.089 0.000 1.026 408 V CA -0.512 61.858 62.300 0.117 0.000 0.868 408 V CB 1.414 33.331 31.823 0.157 0.000 0.982 408 V HN 0.922 nan 8.190 nan 0.000 0.443 409 C N 7.377 126.745 119.300 0.112 0.000 2.301 409 C HA 0.700 5.119 4.460 -0.068 0.000 0.323 409 C C -0.300 174.760 174.990 0.117 0.000 1.265 409 C CA -0.676 58.405 59.018 0.105 0.000 1.503 409 C CB -0.323 27.477 27.740 0.099 0.000 2.195 409 C HN 0.796 nan 8.230 nan 0.000 0.477 410 L N 7.134 128.424 121.223 0.110 0.000 2.314 410 L HA 0.360 4.659 4.340 -0.068 0.000 0.275 410 L C 0.404 177.333 176.870 0.098 0.000 1.068 410 L CA 0.208 55.114 54.840 0.109 0.000 0.894 410 L CB -0.049 42.046 42.059 0.060 0.000 1.275 410 L HN 0.651 nan 8.230 nan 0.000 0.432 411 C N 2.125 121.480 119.300 0.092 0.000 2.459 411 C HA 0.284 4.703 4.460 -0.068 0.000 0.374 411 C C 1.754 176.756 174.990 0.020 0.000 1.241 411 C CA -0.691 58.367 59.018 0.067 0.000 2.352 411 C CB 1.043 28.823 27.740 0.067 0.000 2.490 411 C HN 0.701 nan 8.230 nan 0.000 0.583 412 K N 0.585 120.943 120.400 -0.070 0.000 2.354 412 K HA 0.232 4.511 4.320 -0.068 0.000 0.194 412 K C -0.474 175.875 176.600 -0.417 0.000 1.045 412 K CA 0.690 56.810 56.287 -0.279 0.000 1.026 412 K CB 0.123 32.385 32.500 -0.398 0.000 0.866 412 K HN 0.541 nan 8.250 nan 0.000 0.530 413 F N 0.081 120.103 119.950 0.119 0.000 2.546 413 F HA 0.182 4.669 4.527 -0.068 0.000 0.320 413 F C 1.305 177.235 175.800 0.217 0.000 1.076 413 F CA -0.990 57.090 58.000 0.133 0.000 0.928 413 F CB 1.965 41.014 39.000 0.083 0.000 1.189 413 F HN -0.167 nan 8.300 nan 0.000 0.465 414 S N -0.090 115.862 115.700 0.420 0.000 2.554 414 S HA 0.233 4.662 4.470 -0.068 0.000 0.227 414 S C 0.862 175.651 174.600 0.315 0.000 1.050 414 S CA 0.056 58.477 58.200 0.369 0.000 0.927 414 S CB 0.088 63.559 63.200 0.452 0.000 0.859 414 S HN 0.676 nan 8.310 nan 0.000 0.494 415 K N 1.505 122.040 120.400 0.224 0.000 1.804 415 K HA -0.267 4.012 4.320 -0.068 0.000 0.138 415 K C 0.267 176.915 176.600 0.080 0.000 0.925 415 K CA 2.203 58.531 56.287 0.068 0.000 0.308 415 K CB -1.678 30.732 32.500 -0.150 0.000 0.710 415 K HN 0.605 nan 8.250 nan 0.000 0.806 416 D N 1.110 121.548 120.400 0.063 0.000 2.328 416 D HA -0.010 4.589 4.640 -0.068 0.000 0.226 416 D C 1.210 177.488 176.300 -0.036 0.000 1.066 416 D CA 0.366 54.382 54.000 0.028 0.000 0.861 416 D CB 0.066 40.878 40.800 0.020 0.000 0.912 416 D HN 0.202 nan 8.370 nan 0.000 0.521 417 R N -0.254 120.161 120.500 -0.142 0.000 2.235 417 R HA 0.146 4.445 4.340 -0.068 0.000 0.213 417 R C -0.125 175.709 176.300 -0.776 0.000 1.059 417 R CA 0.393 56.182 56.100 -0.519 0.000 0.997 417 R CB -0.286 29.518 30.300 -0.827 0.000 0.884 417 R HN 0.242 nan 8.270 nan 0.000 0.462 418 F N -0.876 119.099 119.950 0.042 0.000 2.629 418 F HA 0.382 4.868 4.527 -0.068 0.000 0.316 418 F C 0.424 176.241 175.800 0.027 0.000 1.081 418 F CA -1.440 56.574 58.000 0.024 0.000 0.954 418 F CB 0.519 39.534 39.000 0.025 0.000 1.337 418 F HN -0.347 nan 8.300 nan 0.000 0.474 419 L N 1.980 123.335 121.223 0.220 0.000 2.593 419 L HA -0.080 4.219 4.340 -0.068 0.000 0.287 419 L C 0.447 177.395 176.870 0.130 0.000 1.243 419 L CA 0.096 55.013 54.840 0.129 0.000 0.890 419 L CB -0.148 41.967 42.059 0.093 0.000 1.134 419 L HN 0.543 nan 8.230 nan 0.000 0.502 420 N N 2.416 121.170 118.700 0.091 0.000 2.440 420 N HA 0.048 4.747 4.740 -0.068 0.000 0.265 420 N C 0.332 175.885 175.510 0.072 0.000 1.239 420 N CA -0.124 52.975 53.050 0.082 0.000 0.909 420 N CB 1.108 39.629 38.487 0.057 0.000 1.066 420 N HN 0.399 nan 8.380 nan 0.000 0.474 421 V N 1.041 121.003 119.914 0.081 0.000 3.319 421 V HA 0.638 4.717 4.120 -0.068 0.000 0.317 421 V C 0.954 177.087 176.094 0.064 0.000 1.411 421 V CA 0.252 62.590 62.300 0.065 0.000 1.112 421 V CB -0.713 31.149 31.823 0.065 0.000 1.031 421 V HN 0.822 nan 8.190 nan 0.000 0.448 422 G N 0.742 109.580 108.800 0.062 0.000 2.409 422 G HA2 -0.048 3.871 3.960 -0.068 0.000 0.421 422 G HA3 -0.048 3.871 3.960 -0.068 0.000 0.421 422 G C -2.024 172.913 174.900 0.061 0.000 1.259 422 G CA -0.183 44.950 45.100 0.055 0.000 1.011 422 G HN 0.188 nan 8.290 nan 0.000 0.497 423 P HA 0.087 nan 4.420 nan 0.000 0.218 423 P C 0.866 178.210 177.300 0.072 0.000 1.148 423 P CA 0.802 63.935 63.100 0.056 0.000 0.822 423 P CB 0.140 31.869 31.700 0.048 0.000 0.784 424 L N -0.113 121.160 121.223 0.084 0.000 2.264 424 L HA 0.325 4.624 4.340 -0.068 0.000 0.289 424 L C -0.135 176.803 176.870 0.114 0.000 1.044 424 L CA -0.376 54.523 54.840 0.099 0.000 0.807 424 L CB 0.238 42.364 42.059 0.113 0.000 1.192 424 L HN -0.248 nan 8.230 nan 0.000 0.425 425 K N 6.113 126.585 120.400 0.121 0.000 2.221 425 K HA 0.616 4.895 4.320 -0.068 0.000 0.243 425 K C -2.418 174.263 176.600 0.136 0.000 0.968 425 K CA -1.785 54.588 56.287 0.143 0.000 0.846 425 K CB 1.383 33.986 32.500 0.172 0.000 1.141 425 K HN 0.486 nan 8.250 nan 0.000 0.434 426 P HA 0.034 nan 4.420 nan 0.000 0.272 426 P C -0.719 176.663 177.300 0.135 0.000 1.240 426 P CA -0.202 62.956 63.100 0.096 0.000 0.791 426 P CB 0.571 32.261 31.700 -0.017 0.000 0.978 427 E N 0.950 121.199 120.200 0.082 0.000 2.391 427 E HA 0.129 4.438 4.350 -0.068 0.000 0.255 427 E C 0.099 176.815 176.600 0.194 0.000 1.187 427 E CA -0.076 56.388 56.400 0.106 0.000 0.941 427 E CB -0.020 29.708 29.700 0.047 0.000 1.010 427 E HN 0.361 nan 8.360 nan 0.000 0.458 428 N N 1.494 120.323 118.700 0.214 0.000 2.524 428 N HA 0.116 4.815 4.740 -0.068 0.000 0.261 428 N C -1.730 173.890 175.510 0.184 0.000 0.998 428 N CA -0.443 52.767 53.050 0.266 0.000 0.915 428 N CB 0.624 39.260 38.487 0.248 0.000 1.187 428 N HN 0.097 nan 8.380 nan 0.000 0.507 429 D N 2.344 122.865 120.400 0.201 0.000 2.396 429 D HA 0.180 4.779 4.640 -0.068 0.000 0.225 429 D C -0.198 176.222 176.300 0.200 0.000 1.121 429 D CA 0.044 54.182 54.000 0.229 0.000 0.853 429 D CB 1.033 42.051 40.800 0.363 0.000 1.043 429 D HN 0.438 nan 8.370 nan 0.000 0.500 430 Q N 1.345 121.239 119.800 0.156 0.000 2.278 430 Q HA 0.374 4.673 4.340 -0.068 0.000 0.257 430 Q C -0.541 175.544 176.000 0.143 0.000 0.928 430 Q CA -0.973 54.902 55.803 0.120 0.000 0.932 430 Q CB 2.324 31.101 28.738 0.064 0.000 1.221 430 Q HN 0.290 nan 8.270 nan 0.000 0.434 431 L N 4.620 125.935 121.223 0.153 0.000 2.265 431 L HA 0.447 4.746 4.340 -0.068 0.000 0.288 431 L C -1.193 175.793 176.870 0.193 0.000 1.058 431 L CA 0.179 55.101 54.840 0.136 0.000 0.809 431 L CB 0.618 42.689 42.059 0.021 0.000 1.179 431 L HN 0.530 nan 8.230 nan 0.000 0.429 432 I N 4.125 124.841 120.570 0.244 0.000 2.465 432 I HA 0.280 4.409 4.170 -0.068 0.000 0.291 432 I C -0.740 175.573 176.117 0.327 0.000 1.014 432 I CA -0.800 60.641 61.300 0.234 0.000 1.093 432 I CB 1.857 39.932 38.000 0.125 0.000 1.267 432 I HN 0.492 nan 8.210 nan 0.000 0.431 433 D N 7.045 127.590 120.400 0.241 0.000 2.336 433 D HA 0.214 4.813 4.640 -0.068 0.000 0.249 433 D C 0.493 176.766 176.300 -0.044 0.000 1.213 433 D CA -0.140 53.863 54.000 0.005 0.000 0.870 433 D CB 0.866 41.643 40.800 -0.038 0.000 1.076 433 D HN 0.532 nan 8.370 nan 0.000 0.483 434 I N 0.977 121.477 120.570 -0.117 0.000 3.927 434 I HA 0.141 4.270 4.170 -0.068 0.000 0.332 434 I C 1.299 177.378 176.117 -0.063 0.000 1.485 434 I CA -0.394 60.866 61.300 -0.068 0.000 1.131 434 I CB 0.165 38.052 38.000 -0.189 0.000 1.092 434 I HN 0.167 nan 8.210 nan 0.000 0.410 435 S N 0.701 116.316 115.700 -0.141 0.000 2.423 435 S HA 0.121 4.550 4.470 -0.068 0.000 0.231 435 S C 1.207 175.776 174.600 -0.052 0.000 1.014 435 S CA 0.488 58.611 58.200 -0.128 0.000 0.965 435 S CB -0.681 62.396 63.200 -0.205 0.000 0.785 435 S HN 0.576 nan 8.310 nan 0.000 0.495 436 G N 0.411 109.194 108.800 -0.029 0.000 2.613 436 G HA2 0.441 4.360 3.960 -0.068 0.000 0.303 436 G HA3 0.441 4.360 3.960 -0.068 0.000 0.303 436 G C -0.253 174.666 174.900 0.031 0.000 1.312 436 G CA -0.295 44.805 45.100 0.000 0.000 1.036 436 G HN 0.079 nan 8.290 nan 0.000 0.513 437 D N -0.347 120.071 120.400 0.030 0.000 2.117 437 D HA -0.009 4.590 4.640 -0.068 0.000 0.197 437 D C 0.772 177.106 176.300 0.056 0.000 0.987 437 D CA 1.174 55.198 54.000 0.041 0.000 0.829 437 D CB 0.187 41.005 40.800 0.030 0.000 0.961 437 D HN 0.040 nan 8.370 nan 0.000 0.460 438 K N 0.255 120.686 120.400 0.051 0.000 2.156 438 K HA 0.411 4.690 4.320 -0.068 0.000 0.254 438 K C 0.157 176.799 176.600 0.070 0.000 0.950 438 K CA -0.460 55.865 56.287 0.063 0.000 0.849 438 K CB 1.716 34.246 32.500 0.050 0.000 1.100 438 K HN 0.010 nan 8.250 nan 0.000 0.434 439 M N 1.286 120.941 119.600 0.092 0.000 2.274 439 M HA 0.295 4.734 4.480 -0.068 0.000 0.344 439 M C -0.354 175.990 176.300 0.073 0.000 1.161 439 M CA -0.719 54.637 55.300 0.094 0.000 1.126 439 M CB 1.077 33.756 32.600 0.132 0.000 1.522 439 M HN 0.053 nan 8.290 nan 0.000 0.461 440 V N 3.820 123.777 119.914 0.072 0.000 2.569 440 V HA 0.288 4.367 4.120 -0.068 0.000 0.301 440 V C -0.696 175.458 176.094 0.099 0.000 1.044 440 V CA -0.921 61.422 62.300 0.072 0.000 0.874 440 V CB 1.777 33.637 31.823 0.062 0.000 1.002 440 V HN 0.679 nan 8.190 nan 0.000 0.424 441 L N 6.432 127.705 121.223 0.083 0.000 2.455 441 L HA 0.320 4.619 4.340 -0.068 0.000 0.272 441 L C 0.935 177.874 176.870 0.114 0.000 1.174 441 L CA 0.948 55.843 54.840 0.091 0.000 0.869 441 L CB 1.461 43.547 42.059 0.045 0.000 1.130 441 L HN 0.626 nan 8.230 nan 0.000 0.474 442 V N 1.205 121.215 119.914 0.160 0.000 3.359 442 V HA 0.397 4.476 4.120 -0.068 0.000 0.245 442 V C 0.134 176.338 176.094 0.184 0.000 1.247 442 V CA 0.323 62.731 62.300 0.181 0.000 1.145 442 V CB -0.436 31.551 31.823 0.273 0.000 0.906 442 V HN 0.951 nan 8.190 nan 0.000 0.464 443 H N 0.226 119.323 119.070 0.044 0.000 2.954 443 H HA 0.647 5.162 4.556 -0.068 0.000 0.361 443 H C -1.979 173.377 175.328 0.047 0.000 1.122 443 H CA -0.445 55.618 56.048 0.026 0.000 1.217 443 H CB 1.855 31.603 29.762 -0.022 0.000 1.776 443 H HN 0.206 nan 8.280 nan 0.000 0.533 444 D N 3.091 123.250 120.400 -0.401 0.000 2.317 444 D HA 0.336 4.935 4.640 -0.068 0.000 0.234 444 D C 0.051 176.172 176.300 -0.298 0.000 1.112 444 D CA -0.081 53.796 54.000 -0.205 0.000 0.840 444 D CB 1.499 42.240 40.800 -0.099 0.000 1.078 444 D HN 0.695 nan 8.370 nan 0.000 0.486 445 G N 2.932 111.732 108.800 -0.000 0.000 2.468 445 G HA2 0.453 4.372 3.960 -0.068 0.000 0.320 445 G HA3 0.453 4.372 3.960 -0.068 0.000 0.320 445 G C -2.617 172.300 174.900 0.028 0.000 1.137 445 G CA -1.325 43.812 45.100 0.061 0.000 0.984 445 G HN 0.165 nan 8.290 nan 0.000 0.462 446 P HA 0.255 nan 4.420 nan 0.000 0.275 446 P C -0.088 177.113 177.300 -0.164 0.000 1.227 446 P CA 0.052 62.899 63.100 -0.423 0.000 0.781 446 P CB 1.388 32.477 31.700 -1.018 0.000 0.906 447 T N -0.100 114.427 114.554 -0.045 0.000 2.912 447 T HA 0.469 4.778 4.350 -0.068 0.000 0.299 447 T C -0.668 174.091 174.700 0.099 0.000 1.052 447 T CA -0.792 61.327 62.100 0.033 0.000 0.996 447 T CB 0.781 69.699 68.868 0.084 0.000 1.070 447 T HN 0.127 nan 8.240 nan 0.000 0.465 448 F N 3.423 123.363 119.950 -0.017 0.000 2.484 448 F HA 0.540 5.026 4.527 -0.069 0.000 0.360 448 F C 1.046 176.867 175.800 0.036 0.000 1.101 448 F CA -0.651 57.353 58.000 0.006 0.000 1.251 448 F CB 0.068 39.070 39.000 0.003 0.000 1.132 448 F HN 1.052 nan 8.300 nan 0.000 0.570 449 A N 5.312 127.614 122.820 -0.864 0.000 2.568 449 A HA -0.008 4.271 4.320 -0.068 0.000 0.273 449 A C 0.284 177.632 177.584 -0.393 0.000 0.978 449 A CA 1.046 52.679 52.037 -0.673 0.000 0.946 449 A CB -0.806 17.707 19.000 -0.812 0.000 0.842 449 A HN 0.818 nan 8.150 nan 0.000 0.484 450 E N 4.172 124.281 120.200 -0.151 0.000 2.499 450 E HA 0.332 4.641 4.350 -0.068 0.000 0.327 450 E C -3.079 173.468 176.600 -0.088 0.000 0.929 450 E CA -1.776 54.536 56.400 -0.147 0.000 0.788 450 E CB 1.449 31.034 29.700 -0.192 0.000 1.452 450 E HN 0.378 nan 8.360 nan 0.000 0.387 451 P HA 0.052 nan 4.420 nan 0.000 0.268 451 P C -0.195 177.015 177.300 -0.150 0.000 1.205 451 P CA 0.094 63.209 63.100 0.025 0.000 0.771 451 P CB 0.705 32.510 31.700 0.174 0.000 0.858 452 H N 0.383 119.386 119.070 -0.112 0.000 2.343 452 H HA 0.158 4.674 4.556 -0.068 0.000 0.322 452 H C 0.111 175.293 175.328 -0.243 0.000 1.194 452 H CA 0.665 56.681 56.048 -0.053 0.000 1.780 452 H CB 0.072 29.778 29.762 -0.094 0.000 1.521 452 H HN 0.413 nan 8.280 nan 0.000 0.638 453 D N -0.236 119.910 120.400 -0.424 0.000 2.384 453 D HA 0.584 5.183 4.640 -0.068 0.000 0.250 453 D C -0.948 175.036 176.300 -0.526 0.000 1.029 453 D CA -0.482 53.117 54.000 -0.668 0.000 0.990 453 D CB 1.860 42.160 40.800 -0.833 0.000 1.175 453 D HN 0.503 nan 8.370 nan 0.000 0.532 454 A N 0.329 122.823 122.820 -0.543 0.000 2.610 454 A HA 0.689 4.968 4.320 -0.068 0.000 0.291 454 A C -1.252 176.128 177.584 -0.339 0.000 1.086 454 A CA -0.676 50.973 52.037 -0.648 0.000 0.677 454 A CB 0.765 18.801 19.000 -1.607 0.000 1.278 454 A HN 0.582 nan 8.150 nan 0.000 0.414 455 I N -2.425 118.048 120.570 -0.161 0.000 3.042 455 I HA 0.973 5.102 4.170 -0.068 0.000 0.310 455 I C -0.249 175.960 176.117 0.153 0.000 1.117 455 I CA -1.175 60.157 61.300 0.053 0.000 1.003 455 I CB 2.316 40.395 38.000 0.133 0.000 1.228 455 I HN 1.060 nan 8.210 nan 0.000 0.443 456 A N 3.315 126.253 122.820 0.197 0.000 2.414 456 A HA 0.886 5.165 4.320 -0.068 0.000 0.306 456 A C -1.204 176.540 177.584 0.266 0.000 1.054 456 A CA -0.639 51.518 52.037 0.200 0.000 0.724 456 A CB 1.918 20.969 19.000 0.084 0.000 1.267 456 A HN 0.621 nan 8.150 nan 0.000 0.418 457 V N 0.918 121.033 119.914 0.336 0.000 2.760 457 V HA 0.491 4.570 4.120 -0.068 0.000 0.309 457 V C 0.522 176.913 176.094 0.494 0.000 1.077 457 V CA -0.694 61.846 62.300 0.400 0.000 0.910 457 V CB 1.876 33.913 31.823 0.356 0.000 1.008 457 V HN 1.045 nan 8.190 nan 0.000 0.424 458 S N 4.726 120.706 115.700 0.467 0.000 2.537 458 S HA 0.158 4.587 4.470 -0.068 0.000 0.286 458 S C -1.313 173.478 174.600 0.318 0.000 1.299 458 S CA -0.508 57.940 58.200 0.413 0.000 1.067 458 S CB 1.012 64.394 63.200 0.302 0.000 0.864 458 S HN 0.628 nan 8.310 nan 0.000 0.494 459 P HA -0.128 nan 4.420 nan 0.000 0.218 459 P C 1.602 179.006 177.300 0.172 0.000 1.146 459 P CA 1.384 64.672 63.100 0.314 0.000 0.813 459 P CB -0.086 31.708 31.700 0.158 0.000 0.778 460 S N -1.025 114.746 115.700 0.119 0.000 2.419 460 S HA -0.139 4.290 4.470 -0.068 0.000 0.233 460 S C 1.801 176.438 174.600 0.062 0.000 1.016 460 S CA 1.048 59.293 58.200 0.075 0.000 0.974 460 S CB -1.531 61.710 63.200 0.069 0.000 0.786 460 S HN 0.136 nan 8.310 nan 0.000 0.492 461 I N 0.259 120.879 120.570 0.083 0.000 3.111 461 I HA 0.161 4.290 4.170 -0.068 0.000 0.272 461 I C 0.596 176.699 176.117 -0.023 0.000 1.268 461 I CA 0.747 62.073 61.300 0.043 0.000 1.467 461 I CB -0.001 38.051 38.000 0.088 0.000 1.087 461 I HN 0.245 nan 8.210 nan 0.000 0.467 462 L N 1.922 123.130 121.223 -0.024 0.000 3.083 462 L HA 0.236 4.535 4.340 -0.068 0.000 0.286 462 L C -1.420 175.408 176.870 -0.071 0.000 1.307 462 L CA -0.671 54.104 54.840 -0.109 0.000 0.897 462 L CB 0.431 42.339 42.059 -0.252 0.000 1.306 462 L HN -0.053 nan 8.230 nan 0.000 0.569 463 P HA -0.099 nan 4.420 nan 0.000 0.229 463 P C 0.735 177.995 177.300 -0.066 0.000 1.160 463 P CA 0.908 63.986 63.100 -0.036 0.000 0.777 463 P CB 0.044 31.727 31.700 -0.028 0.000 0.814 464 N N 0.451 119.091 118.700 -0.101 0.000 2.571 464 N HA -0.045 4.654 4.740 -0.068 0.000 0.189 464 N C 0.666 176.087 175.510 -0.149 0.000 1.154 464 N CA 0.104 53.078 53.050 -0.127 0.000 0.907 464 N CB -0.750 37.641 38.487 -0.160 0.000 0.977 464 N HN 0.234 nan 8.380 nan 0.000 0.449 465 I N 1.945 122.428 120.570 -0.145 0.000 2.533 465 I HA 0.018 4.147 4.170 -0.068 0.000 0.284 465 I C 0.885 176.921 176.117 -0.135 0.000 1.109 465 I CA -0.142 61.063 61.300 -0.158 0.000 1.412 465 I CB 0.455 38.372 38.000 -0.139 0.000 1.396 465 I HN -0.130 nan 8.210 nan 0.000 0.543 466 R N 3.835 124.228 120.500 -0.179 0.000 2.543 466 R HA 0.311 4.610 4.340 -0.068 0.000 0.268 466 R C 0.726 176.935 176.300 -0.152 0.000 1.067 466 R CA -0.488 55.513 56.100 -0.167 0.000 1.142 466 R CB 1.041 31.209 30.300 -0.220 0.000 1.110 466 R HN 0.587 nan 8.270 nan 0.000 0.549 467 S N 0.059 115.695 115.700 -0.107 0.000 2.468 467 S HA 0.033 4.462 4.470 -0.068 0.000 0.226 467 S C 0.618 175.174 174.600 -0.074 0.000 1.051 467 S CA 0.048 58.202 58.200 -0.076 0.000 0.943 467 S CB 0.476 63.654 63.200 -0.037 0.000 0.810 467 S HN 0.529 nan 8.310 nan 0.000 0.509 468 V N -2.154 117.725 119.914 -0.058 0.000 3.102 468 V HA 0.709 4.788 4.120 -0.068 0.000 0.312 468 V C -1.412 174.689 176.094 0.012 0.000 1.135 468 V CA -1.672 60.635 62.300 0.011 0.000 1.022 468 V CB 0.772 32.647 31.823 0.085 0.000 1.056 468 V HN 0.371 nan 8.190 nan 0.000 0.436 469 W N 0.485 121.830 121.300 0.075 0.000 2.126 469 W HA 0.485 5.088 4.660 -0.096 0.000 0.346 469 W C 0.353 176.951 176.519 0.131 0.000 1.279 469 W CA 0.742 58.170 57.345 0.137 0.000 1.259 469 W CB 0.319 29.955 29.460 0.292 0.000 1.133 469 W HN 0.868 nan 8.180 nan 0.000 0.592 470 D N 1.180 121.812 120.400 0.386 0.000 2.308 470 D HA 0.098 4.697 4.640 -0.068 0.000 0.251 470 D C 1.315 177.837 176.300 0.371 0.000 1.127 470 D CA -0.223 53.933 54.000 0.259 0.000 0.876 470 D CB 1.019 41.894 40.800 0.125 0.000 1.176 470 D HN 0.098 nan 8.370 nan 0.000 0.446 471 R N 2.946 123.632 120.500 0.310 0.000 2.127 471 R HA -0.091 4.208 4.340 -0.068 0.000 0.238 471 R C 0.608 177.130 176.300 0.370 0.000 1.134 471 R CA 0.930 57.259 56.100 0.382 0.000 0.975 471 R CB -0.616 29.818 30.300 0.224 0.000 0.865 471 R HN 0.645 nan 8.270 nan 0.000 0.447 472 N N 1.146 119.935 118.700 0.148 0.000 2.362 472 N HA -0.036 4.663 4.740 -0.068 0.000 0.204 472 N C -0.176 175.201 175.510 -0.221 0.000 1.166 472 N CA -0.273 52.779 53.050 0.004 0.000 0.831 472 N CB 0.245 38.734 38.487 0.003 0.000 1.008 472 N HN 0.137 nan 8.380 nan 0.000 0.472 473 D N 1.967 122.099 120.400 -0.447 0.000 2.488 473 D HA -0.017 4.582 4.640 -0.068 0.000 0.238 473 D C -1.268 174.538 176.300 -0.823 0.000 1.138 473 D CA -1.336 52.262 54.000 -0.670 0.000 0.873 473 D CB 1.371 41.608 40.800 -0.939 0.000 1.183 473 D HN 0.141 nan 8.370 nan 0.000 0.458 474 P HA -0.132 nan 4.420 nan 0.000 0.228 474 P C 1.644 178.766 177.300 -0.298 0.000 1.151 474 P CA 0.211 63.125 63.100 -0.310 0.000 0.770 474 P CB 0.251 31.859 31.700 -0.153 0.000 0.786 475 L N 0.261 121.263 121.223 -0.368 0.000 2.079 475 L HA -0.093 4.206 4.340 -0.068 0.000 0.210 475 L C 1.535 178.406 176.870 0.001 0.000 1.081 475 L CA 1.721 56.488 54.840 -0.122 0.000 0.752 475 L CB -1.415 40.636 42.059 -0.014 0.000 0.896 475 L HN 0.100 nan 8.230 nan 0.000 0.433 476 W N -2.517 118.745 121.300 -0.063 0.000 2.862 476 W HA 0.701 5.377 4.660 0.026 0.000 0.426 476 W C 1.516 178.007 176.519 -0.046 0.000 0.950 476 W CA -0.152 57.148 57.345 -0.076 0.000 2.150 476 W CB -1.332 28.054 29.460 -0.123 0.000 1.161 476 W HN 0.051 nan 8.180 nan 0.000 0.696 477 A N 1.012 123.803 122.820 -0.049 0.000 1.908 477 A HA -0.286 3.993 4.320 -0.068 0.000 0.218 477 A C 2.079 179.684 177.584 0.035 0.000 1.181 477 A CA 2.206 54.224 52.037 -0.031 0.000 0.627 477 A CB -0.566 18.392 19.000 -0.070 0.000 0.818 477 A HN 0.558 nan 8.150 nan 0.000 0.445 478 E N -0.970 119.253 120.200 0.038 0.000 2.152 478 E HA -0.109 4.200 4.350 -0.068 0.000 0.192 478 E C 1.891 178.517 176.600 0.044 0.000 0.983 478 E CA 1.378 57.796 56.400 0.030 0.000 0.818 478 E CB -0.111 29.599 29.700 0.017 0.000 0.758 478 E HN 0.563 nan 8.360 nan 0.000 0.467 479 T N 0.603 115.201 114.554 0.072 0.000 2.746 479 T HA -0.173 4.136 4.350 -0.068 0.000 0.267 479 T C 1.833 176.593 174.700 0.099 0.000 1.039 479 T CA 1.352 63.492 62.100 0.066 0.000 1.142 479 T CB -0.250 68.656 68.868 0.064 0.000 0.866 479 T HN 0.166 nan 8.240 nan 0.000 0.444 480 R N 1.130 121.717 120.500 0.145 0.000 2.096 480 R HA -0.058 4.241 4.340 -0.068 0.000 0.235 480 R C 2.485 178.827 176.300 0.069 0.000 1.127 480 R CA 1.411 57.588 56.100 0.128 0.000 0.968 480 R CB -0.129 30.270 30.300 0.165 0.000 0.861 480 R HN 0.284 nan 8.270 nan 0.000 0.440 481 K N 0.117 120.548 120.400 0.052 0.000 2.057 481 K HA -0.244 4.035 4.320 -0.068 0.000 0.207 481 K C 2.125 178.740 176.600 0.026 0.000 1.049 481 K CA 1.829 58.133 56.287 0.028 0.000 0.931 481 K CB 0.000 32.511 32.500 0.018 0.000 0.714 481 K HN 0.071 nan 8.250 nan 0.000 0.440 482 Q N 0.489 120.311 119.800 0.037 0.000 2.119 482 Q HA -0.065 4.234 4.340 -0.068 0.000 0.201 482 Q C 1.672 177.713 176.000 0.069 0.000 0.972 482 Q CA 1.861 57.690 55.803 0.044 0.000 0.847 482 Q CB -0.271 28.490 28.738 0.038 0.000 0.903 482 Q HN 0.379 nan 8.270 nan 0.000 0.433 483 A N 0.354 123.228 122.820 0.090 0.000 1.902 483 A HA -0.207 4.072 4.320 -0.068 0.000 0.217 483 A C 1.917 179.453 177.584 -0.081 0.000 1.181 483 A CA 1.623 53.666 52.037 0.010 0.000 0.623 483 A CB -0.574 18.444 19.000 0.030 0.000 0.818 483 A HN 0.565 nan 8.150 nan 0.000 0.443 484 E N -0.179 120.002 120.200 -0.032 0.000 2.077 484 E HA -0.118 4.191 4.350 -0.068 0.000 0.193 484 E C 2.263 178.841 176.600 -0.038 0.000 0.989 484 E CA 0.985 57.362 56.400 -0.037 0.000 0.800 484 E CB -0.301 29.391 29.700 -0.014 0.000 0.746 484 E HN 0.621 nan 8.360 nan 0.000 0.452 485 A N 1.535 124.342 122.820 -0.022 0.000 1.972 485 A HA -0.188 4.091 4.320 -0.068 0.000 0.219 485 A C 1.481 179.046 177.584 -0.031 0.000 1.169 485 A CA 1.514 53.539 52.037 -0.020 0.000 0.635 485 A CB -0.185 18.810 19.000 -0.008 0.000 0.810 485 A HN 0.068 nan 8.150 nan 0.000 0.446 486 D N -1.070 119.304 120.400 -0.044 0.000 2.363 486 D HA 0.273 4.872 4.640 -0.068 0.000 0.220 486 D C 1.114 177.345 176.300 -0.116 0.000 0.994 486 D CA 1.310 55.268 54.000 -0.071 0.000 0.890 486 D CB -0.148 40.604 40.800 -0.079 0.000 0.906 486 D HN 0.710 nan 8.370 nan 0.000 0.530 487 E N -1.032 119.103 120.200 -0.108 0.000 2.694 487 E HA -0.179 4.130 4.350 -0.068 0.000 0.272 487 E C -0.031 176.471 176.600 -0.163 0.000 1.040 487 E CA 0.697 57.033 56.400 -0.107 0.000 0.809 487 E CB -2.399 nan 29.700 nan 0.000 1.389 487 E HN 0.186 nan 8.360 nan 0.000 0.413 488 V N 0.649 120.412 119.914 -0.251 0.000 2.459 488 V HA 0.603 4.682 4.120 -0.068 0.000 0.295 488 V C 0.014 175.965 176.094 -0.239 0.000 1.029 488 V CA -0.301 61.785 62.300 -0.357 0.000 0.874 488 V CB 1.967 33.299 31.823 -0.818 0.000 0.985 488 V HN 0.507 nan 8.190 nan 0.000 0.438 489 D N 4.055 124.356 120.400 -0.165 0.000 2.443 489 D HA 0.258 4.857 4.640 -0.068 0.000 0.221 489 D C 1.108 177.359 176.300 -0.081 0.000 1.097 489 D CA -0.472 53.476 54.000 -0.087 0.000 0.865 489 D CB 1.030 41.805 40.800 -0.042 0.000 1.034 489 D HN 0.566 nan 8.370 nan 0.000 0.511 490 I N -0.051 120.479 120.570 -0.068 0.000 3.001 490 I HA -0.010 4.119 4.170 -0.068 0.000 0.268 490 I C 0.444 176.544 176.117 -0.030 0.000 1.267 490 I CA 0.471 61.739 61.300 -0.054 0.000 1.472 490 I CB 0.159 38.139 38.000 -0.033 0.000 1.089 490 I HN 0.006 nan 8.210 nan 0.000 0.468 491 D N 1.842 122.244 120.400 0.003 0.000 2.363 491 D HA 0.068 4.667 4.640 -0.068 0.000 0.220 491 D C 0.376 176.700 176.300 0.039 0.000 0.994 491 D CA 0.676 54.693 54.000 0.028 0.000 0.890 491 D CB 0.243 41.070 40.800 0.046 0.000 0.906 491 D HN 0.663 nan 8.370 nan 0.000 0.530 492 E N -0.718 119.505 120.200 0.038 0.000 2.359 492 E HA 0.147 4.456 4.350 -0.068 0.000 0.266 492 E C -0.414 176.262 176.600 0.127 0.000 0.920 492 E CA -1.059 55.394 56.400 0.090 0.000 0.788 492 E CB 1.790 31.540 29.700 0.083 0.000 1.279 492 E HN 0.009 nan 8.360 nan 0.000 0.438 493 W N 2.429 123.720 121.300 -0.015 0.000 2.409 493 W HA 0.030 4.649 4.660 -0.069 0.000 0.338 493 W C -0.595 175.912 176.519 -0.020 0.000 1.273 493 W CA 1.244 58.583 57.345 -0.011 0.000 1.299 493 W CB 0.704 30.162 29.460 -0.003 0.000 1.192 493 W HN 0.406 nan 8.180 nan 0.000 0.565 494 T N 4.990 119.309 114.554 -0.392 0.000 2.916 494 T HA 0.303 4.612 4.350 -0.068 0.000 0.305 494 T C -0.517 173.974 174.700 -0.348 0.000 1.119 494 T CA -0.497 61.465 62.100 -0.229 0.000 1.008 494 T CB 1.379 70.144 68.868 -0.172 0.000 1.129 494 T HN 0.502 nan 8.240 nan 0.000 0.480 495 E N 1.788 121.914 120.200 -0.123 0.000 2.887 495 E HA 0.416 4.725 4.350 -0.068 0.000 0.206 495 E C 0.107 176.691 176.600 -0.027 0.000 0.983 495 E CA -0.534 55.825 56.400 -0.070 0.000 1.141 495 E CB 1.003 30.736 29.700 0.055 0.000 1.061 495 E HN 0.719 nan 8.360 nan 0.000 0.468 496 A N 0.979 123.774 122.820 -0.040 0.000 2.462 496 A HA 0.345 4.624 4.320 -0.068 0.000 0.243 496 A C 0.126 177.728 177.584 0.030 0.000 1.076 496 A CA -0.019 52.004 52.037 -0.023 0.000 0.773 496 A CB 0.500 19.421 19.000 -0.131 0.000 1.010 496 A HN 0.103 nan 8.150 nan 0.000 0.493 497 V N 4.720 124.642 119.914 0.015 0.000 2.409 497 V HA 0.263 4.342 4.120 -0.068 0.000 0.290 497 V C -0.677 175.423 176.094 0.010 0.000 1.017 497 V CA -0.462 61.834 62.300 -0.007 0.000 0.841 497 V CB 1.206 33.023 31.823 -0.011 0.000 1.003 497 V HN 0.694 nan 8.190 nan 0.000 0.426 498 I N 5.428 126.012 120.570 0.024 0.000 2.321 498 I HA 0.519 4.648 4.170 -0.068 0.000 0.291 498 I C 0.326 176.435 176.117 -0.014 0.000 0.998 498 I CA -0.491 60.821 61.300 0.020 0.000 1.227 498 I CB 1.513 39.556 38.000 0.072 0.000 1.368 498 I HN 0.488 nan 8.210 nan 0.000 0.466 499 R N 4.033 124.526 120.500 -0.012 0.000 2.312 499 R HA 0.400 4.699 4.340 -0.068 0.000 0.311 499 R C -0.716 175.571 176.300 -0.021 0.000 1.004 499 R CA -0.578 55.510 56.100 -0.019 0.000 0.902 499 R CB 1.534 31.829 30.300 -0.008 0.000 1.073 499 R HN 0.453 nan 8.270 nan 0.000 0.457 500 D N 1.619 122.001 120.400 -0.030 0.000 2.621 500 D HA 0.249 4.848 4.640 -0.068 0.000 0.274 500 D C 0.805 177.086 176.300 -0.031 0.000 1.215 500 D CA 0.478 54.461 54.000 -0.029 0.000 0.810 500 D CB 0.382 41.160 40.800 -0.036 0.000 1.248 500 D HN 0.766 nan 8.370 nan 0.000 0.517 501 G N 3.159 111.945 108.800 -0.023 0.000 2.596 501 G HA2 -0.382 3.537 3.960 -0.068 0.000 0.304 501 G HA3 -0.382 3.537 3.960 -0.068 0.000 0.304 501 G C 0.873 175.759 174.900 -0.023 0.000 1.189 501 G CA 0.285 45.372 45.100 -0.021 0.000 0.986 501 G HN 0.476 nan 8.290 nan 0.000 0.548 502 N N 2.023 120.706 118.700 -0.027 0.000 2.398 502 N HA 0.104 4.803 4.740 -0.068 0.000 0.188 502 N C 0.485 175.965 175.510 -0.050 0.000 1.122 502 N CA 0.722 53.753 53.050 -0.030 0.000 0.866 502 N CB 0.331 38.803 38.487 -0.025 0.000 0.970 502 N HN 0.554 nan 8.380 nan 0.000 0.462 503 K N 0.547 120.912 120.400 -0.059 0.000 2.110 503 K HA 0.540 4.819 4.320 -0.068 0.000 0.263 503 K C -0.578 175.966 176.600 -0.093 0.000 0.975 503 K CA -0.525 55.709 56.287 -0.090 0.000 0.895 503 K CB 2.456 34.903 32.500 -0.089 0.000 1.060 503 K HN -0.283 nan 8.250 nan 0.000 0.448 504 V N 2.704 122.537 119.914 -0.135 0.000 2.638 504 V HA 0.404 4.483 4.120 -0.068 0.000 0.306 504 V C -0.583 175.375 176.094 -0.226 0.000 1.052 504 V CA -0.966 61.249 62.300 -0.141 0.000 0.885 504 V CB 1.843 33.598 31.823 -0.113 0.000 0.999 504 V HN 0.684 nan 8.190 nan 0.000 0.424 505 R N 2.712 123.084 120.500 -0.213 0.000 2.343 505 R HA 0.713 5.012 4.340 -0.068 0.000 0.320 505 R C -1.414 174.654 176.300 -0.387 0.000 0.956 505 R CA -0.550 55.346 56.100 -0.341 0.000 0.836 505 R CB 2.132 32.285 30.300 -0.245 0.000 1.151 505 R HN 0.523 nan 8.270 nan 0.000 0.450 506 V N 4.969 124.512 119.914 -0.617 0.000 2.357 506 V HA 0.298 4.377 4.120 -0.068 0.000 0.284 506 V C -0.933 174.745 176.094 -0.693 0.000 1.018 506 V CA -0.799 61.117 62.300 -0.639 0.000 0.841 506 V CB 0.892 32.107 31.823 -1.014 0.000 0.991 506 V HN 0.604 nan 8.190 nan 0.000 0.437 507 Y N 5.217 125.282 120.300 -0.392 0.000 2.328 507 Y HA 0.712 5.218 4.550 -0.072 0.000 0.337 507 Y C 0.369 176.049 175.900 -0.367 0.000 1.008 507 Y CA -0.424 57.465 58.100 -0.350 0.000 1.129 507 Y CB 1.521 39.826 38.460 -0.260 0.000 1.185 507 Y HN 0.478 nan 8.280 nan 0.000 0.476 508 M N 2.047 121.490 119.600 -0.262 0.000 2.619 508 M HA 0.529 4.968 4.480 -0.068 0.000 0.297 508 M C -0.959 175.181 176.300 -0.266 0.000 1.229 508 M CA -0.736 54.394 55.300 -0.284 0.000 0.860 508 M CB 2.626 35.053 32.600 -0.288 0.000 1.741 508 M HN 0.454 nan 8.290 nan 0.000 0.462 509 T N 1.072 115.413 114.554 -0.355 0.000 2.807 509 T HA 0.505 4.814 4.350 -0.068 0.000 0.279 509 T C -0.412 174.155 174.700 -0.222 0.000 0.993 509 T CA -0.816 61.094 62.100 -0.318 0.000 0.970 509 T CB 1.303 69.898 68.868 -0.454 0.000 0.950 509 T HN 0.693 nan 8.240 nan 0.000 0.441 510 S N 1.745 117.357 115.700 -0.147 0.000 2.433 510 S HA 0.699 5.128 4.470 -0.068 0.000 0.310 510 S C -0.572 173.867 174.600 -0.269 0.000 1.097 510 S CA -0.720 57.310 58.200 -0.282 0.000 1.103 510 S CB 0.824 63.790 63.200 -0.390 0.000 0.992 510 S HN 0.457 nan 8.310 nan 0.000 0.469 511 V N 2.839 122.628 119.914 -0.209 0.000 2.488 511 V HA 0.635 4.714 4.120 -0.068 0.000 0.293 511 V C 0.498 176.553 176.094 -0.066 0.000 1.027 511 V CA -0.847 61.441 62.300 -0.021 0.000 0.862 511 V CB 1.214 33.133 31.823 0.160 0.000 1.008 511 V HN 1.212 nan 8.190 nan 0.000 0.428 512 A N 7.397 130.244 122.820 0.045 0.000 2.584 512 A HA 0.376 4.655 4.320 -0.068 0.000 0.239 512 A C -1.365 176.130 177.584 -0.148 0.000 1.043 512 A CA -0.076 51.991 52.037 0.050 0.000 0.756 512 A CB -0.025 19.161 19.000 0.310 0.000 0.963 512 A HN 0.706 nan 8.150 nan 0.000 0.511 513 P HA 0.236 nan 4.420 nan 0.000 0.274 513 P C -0.593 176.553 177.300 -0.257 0.000 1.673 513 P CA 0.021 62.886 63.100 -0.391 0.000 1.193 513 P CB 0.495 31.795 31.700 -0.667 0.000 1.571 514 S N -0.431 115.139 115.700 -0.218 0.000 2.548 514 S HA 0.556 4.985 4.470 -0.068 0.000 0.286 514 S C -0.524 173.952 174.600 -0.207 0.000 1.098 514 S CA -0.414 57.696 58.200 -0.150 0.000 0.930 514 S CB 0.974 64.196 63.200 0.036 0.000 1.070 514 S HN -0.071 nan 8.310 nan 0.000 0.480 515 F N 1.800 121.774 119.950 0.039 0.000 2.410 515 F HA 0.169 4.653 4.527 -0.070 0.000 0.334 515 F C 2.100 177.885 175.800 -0.026 0.000 1.134 515 F CA -0.178 57.826 58.000 0.007 0.000 1.227 515 F CB 0.875 39.977 39.000 0.171 0.000 1.194 515 F HN 0.753 nan 8.300 nan 0.000 0.571 516 S N 0.247 115.899 115.700 -0.080 0.000 2.447 516 S HA -0.073 4.356 4.470 -0.068 0.000 0.233 516 S C 0.345 174.963 174.600 0.031 0.000 1.006 516 S CA 0.484 58.464 58.200 -0.368 0.000 0.957 516 S CB -0.316 62.132 63.200 -1.254 0.000 0.773 516 S HN 0.667 nan 8.310 nan 0.000 0.507 517 Q N 1.292 121.164 119.800 0.120 0.000 2.333 517 Q HA 0.339 4.638 4.340 -0.068 0.000 0.265 517 Q C -2.275 173.928 176.000 0.339 0.000 0.989 517 Q CA -2.254 53.675 55.803 0.209 0.000 0.842 517 Q CB 1.878 30.711 28.738 0.158 0.000 1.262 517 Q HN 0.189 nan 8.270 nan 0.000 0.451 518 P HA -0.084 nan 4.420 nan 0.000 0.227 518 P C -0.116 177.270 177.300 0.143 0.000 1.161 518 P CA 0.786 64.016 63.100 0.217 0.000 0.788 518 P CB 0.485 32.285 31.700 0.166 0.000 0.822 519 S N -1.125 114.710 115.700 0.225 0.000 2.578 519 S HA 0.669 5.098 4.470 -0.068 0.000 0.272 519 S C -1.359 173.424 174.600 0.306 0.000 1.145 519 S CA -0.958 57.320 58.200 0.130 0.000 0.835 519 S CB 0.794 64.020 63.200 0.042 0.000 1.104 519 S HN 0.074 nan 8.310 nan 0.000 0.458 520 F N -1.285 118.736 119.950 0.119 0.000 2.668 520 F HA 0.871 5.358 4.527 -0.066 0.000 0.309 520 F C -1.163 174.740 175.800 0.172 0.000 1.117 520 F CA -0.755 57.319 58.000 0.122 0.000 0.951 520 F CB 1.413 40.435 39.000 0.036 0.000 1.323 520 F HN 0.598 nan 8.300 nan 0.000 0.451 521 T N 2.583 117.342 114.554 0.342 0.000 2.841 521 T HA 0.687 4.996 4.350 -0.068 0.000 0.283 521 T C -0.616 174.225 174.700 0.234 0.000 1.000 521 T CA -0.520 61.727 62.100 0.244 0.000 0.977 521 T CB 1.618 70.606 68.868 0.200 0.000 0.979 521 T HN 1.044 nan 8.240 nan 0.000 0.446 522 V N 0.257 120.275 119.914 0.174 0.000 3.158 522 V HA 0.749 4.828 4.120 -0.068 0.000 0.311 522 V C -1.105 175.048 176.094 0.099 0.000 1.181 522 V CA -1.309 61.073 62.300 0.137 0.000 1.054 522 V CB 1.941 33.854 31.823 0.149 0.000 1.085 522 V HN 0.705 nan 8.190 nan 0.000 0.446 523 K N 0.689 121.131 120.400 0.070 0.000 2.123 523 K HA 0.398 4.677 4.320 -0.068 0.000 0.259 523 K C -0.307 176.331 176.600 0.064 0.000 0.960 523 K CA -0.520 55.802 56.287 0.059 0.000 0.872 523 K CB 1.948 34.471 32.500 0.037 0.000 1.079 523 K HN 0.935 nan 8.250 nan 0.000 0.440 524 E N 0.625 120.868 120.200 0.071 0.000 2.694 524 E HA -0.133 4.176 4.350 -0.068 0.000 0.250 524 E C 0.545 177.175 176.600 0.051 0.000 0.963 524 E CA 1.121 57.566 56.400 0.074 0.000 0.949 524 E CB -0.089 29.652 29.700 0.069 0.000 0.911 524 E HN 0.817 nan 8.360 nan 0.000 0.500 525 G N 3.980 112.811 108.800 0.052 0.000 2.175 525 G HA2 -0.225 3.694 3.960 -0.068 0.000 0.244 525 G HA3 -0.225 3.694 3.960 -0.068 0.000 0.244 525 G C -0.182 174.724 174.900 0.009 0.000 0.982 525 G CA 0.083 45.201 45.100 0.030 0.000 0.641 525 G HN 0.655 nan 8.290 nan 0.000 0.527 526 D N 0.871 121.273 120.400 0.005 0.000 2.414 526 D HA 0.338 4.937 4.640 -0.068 0.000 0.242 526 D C 0.596 176.844 176.300 -0.086 0.000 1.129 526 D CA 0.161 54.140 54.000 -0.034 0.000 0.885 526 D CB 0.809 41.591 40.800 -0.030 0.000 1.198 526 D HN 0.452 nan 8.370 nan 0.000 0.437 527 E N 1.742 121.872 120.200 -0.116 0.000 1.996 527 E HA 0.230 4.539 4.350 -0.068 0.000 0.280 527 E C -1.090 175.338 176.600 -0.287 0.000 1.092 527 E CA -0.526 55.766 56.400 -0.181 0.000 0.862 527 E CB 0.456 30.078 29.700 -0.131 0.000 1.066 527 E HN 0.077 nan 8.360 nan 0.000 0.396 528 V N 4.417 124.024 119.914 -0.512 0.000 2.407 528 V HA 0.232 4.311 4.120 -0.068 0.000 0.278 528 V C 0.201 175.878 176.094 -0.694 0.000 1.037 528 V CA -0.552 61.364 62.300 -0.640 0.000 0.900 528 V CB 1.655 32.945 31.823 -0.888 0.000 0.983 528 V HN 0.626 nan 8.190 nan 0.000 0.459 529 T N 4.654 118.916 114.554 -0.486 0.000 2.771 529 T HA 0.523 4.832 4.350 -0.068 0.000 0.281 529 T C -0.280 174.112 174.700 -0.513 0.000 0.982 529 T CA -0.326 61.518 62.100 -0.426 0.000 0.978 529 T CB 1.479 70.137 68.868 -0.350 0.000 0.930 529 T HN 0.356 nan 8.240 nan 0.000 0.447 530 V N 5.068 124.695 119.914 -0.479 0.000 2.398 530 V HA 0.475 4.554 4.120 -0.068 0.000 0.286 530 V C -0.364 175.335 176.094 -0.658 0.000 1.026 530 V CA -0.790 61.106 62.300 -0.673 0.000 0.868 530 V CB 1.106 32.430 31.823 -0.832 0.000 0.982 530 V HN 0.743 nan 8.190 nan 0.000 0.443 531 I N 5.739 125.876 120.570 -0.721 0.000 2.355 531 I HA 0.462 4.591 4.170 -0.068 0.000 0.288 531 I C -0.287 175.531 176.117 -0.499 0.000 0.999 531 I CA -0.206 60.742 61.300 -0.588 0.000 1.163 531 I CB 1.739 39.333 38.000 -0.678 0.000 1.316 531 I HN 0.277 nan 8.210 nan 0.000 0.454 532 V N 4.872 124.524 119.914 -0.437 0.000 2.448 532 V HA 0.544 4.623 4.120 -0.068 0.000 0.295 532 V C -0.020 175.896 176.094 -0.297 0.000 1.025 532 V CA -0.481 61.615 62.300 -0.339 0.000 0.859 532 V CB 1.914 33.566 31.823 -0.285 0.000 0.988 532 V HN 0.704 nan 8.190 nan 0.000 0.431 533 T N 3.725 118.130 114.554 -0.247 0.000 2.779 533 T HA 0.296 4.605 4.350 -0.068 0.000 0.280 533 T C -0.124 174.474 174.700 -0.170 0.000 0.987 533 T CA -0.426 61.517 62.100 -0.262 0.000 0.966 533 T CB 0.909 69.638 68.868 -0.231 0.000 0.933 533 T HN 0.616 nan 8.240 nan 0.000 0.442 534 N N 3.698 122.305 118.700 -0.156 0.000 2.469 534 N HA 0.185 4.884 4.740 -0.068 0.000 0.239 534 N C 0.394 175.900 175.510 -0.007 0.000 1.053 534 N CA -0.527 52.503 53.050 -0.034 0.000 0.937 534 N CB 0.219 38.725 38.487 0.032 0.000 1.163 534 N HN 0.580 nan 8.380 nan 0.000 0.509 535 L N 1.113 122.349 121.223 0.021 0.000 2.611 535 L HA 0.199 4.498 4.340 -0.068 0.000 0.229 535 L C 0.114 177.038 176.870 0.091 0.000 1.137 535 L CA -0.078 54.795 54.840 0.055 0.000 0.901 535 L CB -0.149 41.951 42.059 0.069 0.000 1.098 535 L HN 0.371 nan 8.230 nan 0.000 0.456 536 D N 1.476 121.947 120.400 0.118 0.000 2.414 536 D HA -0.043 4.556 4.640 -0.068 0.000 0.242 536 D C 0.463 176.823 176.300 0.100 0.000 1.129 536 D CA 0.586 54.663 54.000 0.128 0.000 0.885 536 D CB 1.335 42.242 40.800 0.180 0.000 1.198 536 D HN 0.122 nan 8.370 nan 0.000 0.437 537 E N 1.894 122.146 120.200 0.086 0.000 3.167 537 E HA 0.227 4.536 4.350 -0.068 0.000 0.210 537 E C -0.708 175.929 176.600 0.062 0.000 1.004 537 E CA -0.249 56.197 56.400 0.077 0.000 1.256 537 E CB -0.041 29.702 29.700 0.072 0.000 1.193 537 E HN 0.354 nan 8.360 nan 0.000 0.448 538 I N 1.031 121.636 120.570 0.059 0.000 2.378 538 I HA 0.187 4.316 4.170 -0.068 0.000 0.291 538 I C 0.037 176.174 176.117 0.032 0.000 0.992 538 I CA -1.091 60.235 61.300 0.044 0.000 1.154 538 I CB 1.344 39.373 38.000 0.048 0.000 1.315 538 I HN 0.076 nan 8.210 nan 0.000 0.448 539 D N 5.498 125.912 120.400 0.022 0.000 2.648 539 D HA -0.142 4.457 4.640 -0.068 0.000 0.229 539 D C 0.737 177.043 176.300 0.009 0.000 1.119 539 D CA 1.466 55.473 54.000 0.011 0.000 0.850 539 D CB 0.419 41.221 40.800 0.004 0.000 1.169 539 D HN 0.655 nan 8.370 nan 0.000 0.489 540 D N 1.409 121.812 120.400 0.004 0.000 2.911 540 D HA -0.219 4.380 4.640 -0.068 0.000 0.199 540 D C -0.134 176.162 176.300 -0.007 0.000 1.041 540 D CA 0.332 54.336 54.000 0.007 0.000 1.013 540 D CB -1.093 39.717 40.800 0.017 0.000 1.093 540 D HN 0.322 nan 8.370 nan 0.000 0.431 541 L N 2.058 123.264 121.223 -0.029 0.000 2.512 541 L HA 0.365 4.664 4.340 -0.068 0.000 0.247 541 L C -0.140 176.605 176.870 -0.209 0.000 1.204 541 L CA 0.179 54.963 54.840 -0.093 0.000 1.153 541 L CB 0.077 42.111 42.059 -0.041 0.000 1.415 541 L HN -0.089 nan 8.230 nan 0.000 0.406 542 T N 2.693 117.108 114.554 -0.233 0.000 2.897 542 T HA 0.384 4.693 4.350 -0.068 0.000 0.294 542 T C -0.103 174.342 174.700 -0.424 0.000 1.004 542 T CA -0.193 61.688 62.100 -0.366 0.000 1.106 542 T CB 0.512 69.018 68.868 -0.604 0.000 0.949 542 T HN 0.349 nan 8.240 nan 0.000 0.520 543 H N -0.028 118.977 119.070 -0.109 0.000 2.754 543 H HA 0.716 5.231 4.556 -0.070 0.000 0.352 543 H C 0.353 175.742 175.328 0.101 0.000 1.213 543 H CA -0.721 55.365 56.048 0.063 0.000 1.244 543 H CB 1.901 31.683 29.762 0.033 0.000 1.843 543 H HN 0.815 nan 8.280 nan 0.000 0.587 544 G N -0.230 108.861 108.800 0.484 0.000 2.642 544 G HA2 0.472 4.391 3.960 -0.068 0.000 0.293 544 G HA3 0.472 4.391 3.960 -0.068 0.000 0.293 544 G C -2.039 173.165 174.900 0.507 0.000 1.341 544 G CA -0.546 44.852 45.100 0.497 0.000 0.916 544 G HN 0.378 nan 8.290 nan 0.000 0.474 545 F N 1.086 121.157 119.950 0.202 0.000 2.539 545 F HA 0.642 5.129 4.527 -0.066 0.000 0.328 545 F C -0.456 175.302 175.800 -0.071 0.000 1.148 545 F CA -0.401 57.642 58.000 0.071 0.000 0.940 545 F CB 2.244 41.213 39.000 -0.052 0.000 1.194 545 F HN 0.418 nan 8.300 nan 0.000 0.438 546 T N 6.965 121.111 114.554 -0.680 0.000 2.824 546 T HA 0.421 4.730 4.350 -0.068 0.000 0.282 546 T C -0.898 173.357 174.700 -0.742 0.000 0.993 546 T CA -0.462 61.249 62.100 -0.649 0.000 0.967 546 T CB 1.471 69.773 68.868 -0.944 0.000 0.960 546 T HN 0.590 nan 8.240 nan 0.000 0.441 547 M N 3.444 122.781 119.600 -0.438 0.000 2.066 547 M HA 0.540 4.979 4.480 -0.068 0.000 0.340 547 M C 0.508 176.748 176.300 -0.100 0.000 1.053 547 M CA -0.537 54.575 55.300 -0.313 0.000 0.983 547 M CB 0.248 32.575 32.600 -0.454 0.000 1.520 547 M HN 0.692 nan 8.290 nan 0.000 0.428 548 G N 4.007 112.855 108.800 0.081 0.000 2.178 548 G HA2 0.068 3.987 3.960 -0.068 0.000 0.244 548 G HA3 0.068 3.987 3.960 -0.068 0.000 0.244 548 G C 0.386 175.424 174.900 0.230 0.000 1.213 548 G CA -0.043 45.183 45.100 0.210 0.000 0.912 548 G HN 1.014 nan 8.290 nan 0.000 0.474 549 N N 0.066 118.846 118.700 0.132 0.000 2.778 549 N HA -0.182 4.517 4.740 -0.068 0.000 0.249 549 N C 0.580 175.978 175.510 -0.187 0.000 1.069 549 N CA 1.752 54.816 53.050 0.023 0.000 0.831 549 N CB -1.193 37.348 38.487 0.090 0.000 1.142 549 N HN 0.806 nan 8.380 nan 0.000 0.573 550 H N -1.170 117.771 119.070 -0.216 0.000 2.672 550 H HA 0.449 4.965 4.556 -0.068 0.000 0.277 550 H C 1.408 176.592 175.328 -0.241 0.000 1.074 550 H CA 0.487 56.350 56.048 -0.308 0.000 1.173 550 H CB 0.316 29.717 29.762 -0.601 0.000 1.558 550 H HN 0.300 nan 8.280 nan 0.000 0.539 551 G N 1.029 109.783 108.800 -0.078 0.000 2.323 551 G HA2 -0.242 3.677 3.960 -0.068 0.000 0.292 551 G HA3 -0.242 3.677 3.960 -0.068 0.000 0.292 551 G C -0.403 174.468 174.900 -0.049 0.000 1.040 551 G CA 0.612 45.684 45.100 -0.047 0.000 0.942 551 G HN 0.279 nan 8.290 nan 0.000 0.506 552 V N -0.338 119.523 119.914 -0.088 0.000 2.638 552 V HA 0.908 4.987 4.120 -0.068 0.000 0.306 552 V C 0.180 176.256 176.094 -0.029 0.000 1.052 552 V CA -0.038 62.227 62.300 -0.059 0.000 0.885 552 V CB 1.876 33.606 31.823 -0.155 0.000 0.999 552 V HN 1.606 nan 8.190 nan 0.000 0.424 553 A N 6.598 129.443 122.820 0.041 0.000 2.540 553 A HA 0.957 5.236 4.320 -0.068 0.000 0.297 553 A C -0.960 176.715 177.584 0.151 0.000 1.056 553 A CA -0.546 51.534 52.037 0.071 0.000 0.700 553 A CB 1.947 20.970 19.000 0.038 0.000 1.280 553 A HN 1.166 nan 8.150 nan 0.000 0.398 554 M N 0.727 120.452 119.600 0.208 0.000 2.520 554 M HA 0.696 5.135 4.480 -0.068 0.000 0.283 554 M C -0.753 175.696 176.300 0.248 0.000 1.237 554 M CA -0.478 54.948 55.300 0.210 0.000 0.885 554 M CB 1.928 34.603 32.600 0.126 0.000 1.727 554 M HN 0.684 nan 8.290 nan 0.000 0.468 555 E N 1.553 121.850 120.200 0.163 0.000 2.331 555 E HA 0.515 4.824 4.350 -0.068 0.000 0.272 555 E C -1.572 174.938 176.600 -0.151 0.000 1.036 555 E CA -0.645 55.677 56.400 -0.131 0.000 0.864 555 E CB 1.440 30.989 29.700 -0.251 0.000 1.035 555 E HN 0.645 nan 8.360 nan 0.000 0.408 556 V N 4.321 124.108 119.914 -0.211 0.000 2.385 556 V HA 0.356 4.435 4.120 -0.068 0.000 0.277 556 V C 0.612 176.587 176.094 -0.199 0.000 1.012 556 V CA -0.702 61.483 62.300 -0.192 0.000 0.832 556 V CB 1.046 32.811 31.823 -0.097 0.000 1.028 556 V HN 0.780 nan 8.190 nan 0.000 0.436 557 G N 4.777 113.470 108.800 -0.178 0.000 2.651 557 G HA2 0.485 4.405 3.960 -0.068 0.000 0.260 557 G HA3 0.485 4.405 3.960 -0.068 0.000 0.260 557 G C -2.561 172.377 174.900 0.063 0.000 1.216 557 G CA -1.317 43.775 45.100 -0.013 0.000 0.913 557 G HN 0.504 nan 8.290 nan 0.000 0.535 558 P HA 0.063 nan 4.420 nan 0.000 0.267 558 P C -0.220 177.214 177.300 0.224 0.000 1.209 558 P CA 0.366 63.550 63.100 0.141 0.000 0.763 558 P CB 1.068 32.835 31.700 0.111 0.000 0.816 559 Q N -1.560 118.306 119.800 0.111 0.000 2.424 559 Q HA -0.235 4.064 4.340 -0.068 0.000 0.234 559 Q C 0.187 176.156 176.000 -0.050 0.000 0.748 559 Q CA 1.254 57.120 55.803 0.105 0.000 1.286 559 Q CB -1.912 26.964 28.738 0.230 0.000 1.494 559 Q HN 0.717 nan 8.270 nan 0.000 0.683 560 Q N 0.318 119.915 119.800 -0.338 0.000 2.230 560 Q HA 0.437 4.736 4.340 -0.068 0.000 0.248 560 Q C -0.749 174.598 176.000 -1.087 0.000 0.915 560 Q CA 0.084 55.256 55.803 -1.052 0.000 0.900 560 Q CB 1.074 29.124 28.738 -1.147 0.000 1.229 560 Q HN 0.052 nan 8.270 nan 0.000 0.439 561 T N 2.297 115.752 114.554 -1.833 0.000 2.797 561 T HA 0.505 4.814 4.350 -0.068 0.000 0.279 561 T C -1.109 173.066 174.700 -0.876 0.000 0.991 561 T CA -0.500 60.877 62.100 -1.205 0.000 0.979 561 T CB 1.483 69.610 68.868 -1.234 0.000 0.943 561 T HN 0.502 nan 8.240 nan 0.000 0.444 562 S N 1.753 117.147 115.700 -0.510 0.000 2.548 562 S HA 0.842 5.271 4.470 -0.068 0.000 0.286 562 S C -0.662 173.771 174.600 -0.278 0.000 1.098 562 S CA -0.919 57.092 58.200 -0.316 0.000 0.930 562 S CB 1.803 64.857 63.200 -0.243 0.000 1.070 562 S HN 0.866 nan 8.310 nan 0.000 0.480 563 S N 0.356 115.933 115.700 -0.205 0.000 2.564 563 S HA 0.880 5.309 4.470 -0.068 0.000 0.274 563 S C -1.268 173.239 174.600 -0.154 0.000 1.124 563 S CA -0.803 57.259 58.200 -0.231 0.000 0.869 563 S CB 1.715 64.773 63.200 -0.237 0.000 1.105 563 S HN 0.766 nan 8.310 nan 0.000 0.472 564 V N 1.091 120.911 119.914 -0.157 0.000 3.012 564 V HA 0.778 4.857 4.120 -0.068 0.000 0.307 564 V C -1.303 174.777 176.094 -0.023 0.000 1.166 564 V CA -0.087 62.184 62.300 -0.048 0.000 0.974 564 V CB 2.366 34.207 31.823 0.029 0.000 1.040 564 V HN 1.183 nan 8.190 nan 0.000 0.428 565 T N 6.799 121.362 114.554 0.015 0.000 2.841 565 T HA 0.848 5.157 4.350 -0.068 0.000 0.283 565 T C -1.021 173.743 174.700 0.106 0.000 1.000 565 T CA -0.159 61.908 62.100 -0.055 0.000 0.977 565 T CB 1.152 69.954 68.868 -0.109 0.000 0.979 565 T HN 0.817 nan 8.240 nan 0.000 0.446 566 F N -0.256 119.670 119.950 -0.041 0.000 2.686 566 F HA 0.823 5.308 4.527 -0.070 0.000 0.311 566 F C -1.517 174.289 175.800 0.010 0.000 1.128 566 F CA -1.476 56.523 58.000 -0.002 0.000 0.946 566 F CB 0.729 39.752 39.000 0.039 0.000 1.336 566 F HN 0.252 nan 8.300 nan 0.000 0.457 567 V N 1.876 121.903 119.914 0.189 0.000 2.427 567 V HA 0.679 4.758 4.120 -0.068 0.000 0.286 567 V C 0.168 176.429 176.094 0.279 0.000 1.034 567 V CA -0.522 61.835 62.300 0.096 0.000 0.893 567 V CB 1.249 33.105 31.823 0.056 0.000 0.982 567 V HN 1.054 nan 8.190 nan 0.000 0.452 568 A N 3.949 126.890 122.820 0.203 0.000 2.798 568 A HA 0.641 4.920 4.320 -0.068 0.000 0.316 568 A C 1.297 178.977 177.584 0.161 0.000 1.506 568 A CA 0.263 52.477 52.037 0.295 0.000 1.162 568 A CB 0.249 19.386 19.000 0.230 0.000 1.138 568 A HN 1.169 nan 8.150 nan 0.000 0.532 569 A N 2.395 125.278 122.820 0.104 0.000 1.968 569 A HA 0.025 4.304 4.320 -0.068 0.000 0.217 569 A C 0.811 178.434 177.584 0.065 0.000 1.169 569 A CA 0.810 52.879 52.037 0.054 0.000 0.638 569 A CB -0.081 18.926 19.000 0.011 0.000 0.812 569 A HN 0.625 nan 8.150 nan 0.000 0.446 570 N N 0.178 118.931 118.700 0.088 0.000 2.354 570 N HA 0.413 5.112 4.740 -0.068 0.000 0.287 570 N C -3.143 172.516 175.510 0.249 0.000 1.016 570 N CA -1.546 51.587 53.050 0.138 0.000 0.871 570 N CB 1.796 40.363 38.487 0.132 0.000 1.299 570 N HN 0.109 nan 8.380 nan 0.000 0.482 571 P HA 0.411 nan 4.420 nan 0.000 0.274 571 P C 0.244 177.670 177.300 0.210 0.000 1.246 571 P CA 0.176 63.395 63.100 0.198 0.000 0.795 571 P CB 0.886 32.654 31.700 0.113 0.000 1.006 572 G N -1.148 107.742 108.800 0.150 0.000 2.347 572 G HA2 0.132 4.051 3.960 -0.068 0.000 0.341 572 G HA3 0.132 4.051 3.960 -0.068 0.000 0.341 572 G C -1.769 173.032 174.900 -0.165 0.000 1.287 572 G CA -0.358 44.713 45.100 -0.048 0.000 0.984 572 G HN 0.589 nan 8.290 nan 0.000 0.526 573 V N 0.183 119.856 119.914 -0.402 0.000 2.483 573 V HA 0.888 4.967 4.120 -0.068 0.000 0.295 573 V C -1.024 174.584 176.094 -0.811 0.000 1.035 573 V CA -0.732 61.301 62.300 -0.444 0.000 0.896 573 V CB 1.104 32.750 31.823 -0.294 0.000 0.986 573 V HN 0.874 nan 8.190 nan 0.000 0.447 574 Y N 3.690 123.815 120.300 -0.291 0.000 2.524 574 Y HA 0.557 5.066 4.550 -0.068 0.000 0.347 574 Y C -0.794 174.902 175.900 -0.340 0.000 1.005 574 Y CA -0.687 57.321 58.100 -0.153 0.000 1.025 574 Y CB 1.643 40.090 38.460 -0.021 0.000 1.275 574 Y HN 0.640 nan 8.280 nan 0.000 0.460 575 W N 2.787 124.067 121.300 -0.033 0.000 2.496 575 W HA 0.514 5.132 4.660 -0.069 0.000 0.327 575 W C -0.888 175.579 176.519 -0.086 0.000 1.086 575 W CA -0.748 56.494 57.345 -0.171 0.000 1.222 575 W CB 0.818 30.187 29.460 -0.153 0.000 1.304 575 W HN 0.409 nan 8.180 nan 0.000 0.547 576 Y N 1.747 122.090 120.300 0.072 0.000 2.457 576 Y HA 0.769 5.279 4.550 -0.067 0.000 0.333 576 Y C -0.649 175.267 175.900 0.028 0.000 1.119 576 Y CA -2.220 55.758 58.100 -0.203 0.000 1.143 576 Y CB 0.666 38.742 38.460 -0.640 0.000 1.230 576 Y HN 0.493 nan 8.280 nan 0.000 0.469 577 Y N -0.190 120.095 120.300 -0.024 0.000 2.638 577 Y HA 0.570 5.080 4.550 -0.067 0.000 0.335 577 Y C -1.321 174.744 175.900 0.275 0.000 1.155 577 Y CA -2.480 55.718 58.100 0.164 0.000 1.046 577 Y CB 0.556 39.022 38.460 0.010 0.000 1.303 577 Y HN 1.043 nan 8.280 nan 0.000 0.460 578 C N 4.034 123.615 119.300 0.467 0.000 2.394 578 C HA 0.306 4.725 4.460 -0.068 0.000 0.362 578 C C 0.999 176.266 174.990 0.461 0.000 1.268 578 C CA 0.064 59.329 59.018 0.413 0.000 1.828 578 C CB -0.043 27.863 27.740 0.276 0.000 2.442 578 C HN 0.963 nan 8.230 nan 0.000 0.549 579 Q N 4.662 124.694 119.800 0.386 0.000 2.247 579 Q HA 0.091 4.390 4.340 -0.068 0.000 0.204 579 Q C -0.132 176.045 176.000 0.294 0.000 0.872 579 Q CA 0.155 56.183 55.803 0.375 0.000 0.951 579 Q CB 0.201 29.030 28.738 0.152 0.000 1.099 579 Q HN 0.885 nan 8.270 nan 0.000 0.501 580 W N 1.181 122.639 121.300 0.263 0.000 2.278 580 W HA 0.340 4.962 4.660 -0.062 0.000 0.317 580 W C -0.942 175.543 176.519 -0.056 0.000 1.030 580 W CA -1.441 55.973 57.345 0.115 0.000 1.334 580 W CB 0.615 30.127 29.460 0.086 0.000 1.215 580 W HN -0.020 nan 8.180 nan 0.000 0.405 581 F N 4.441 124.220 119.950 -0.284 0.000 2.590 581 F HA -0.099 4.386 4.527 -0.069 0.000 0.389 581 F C 1.348 177.048 175.800 -0.166 0.000 1.049 581 F CA 0.876 58.487 58.000 -0.648 0.000 1.199 581 F CB 0.540 39.256 39.000 -0.473 0.000 1.058 581 F HN 0.384 nan 8.300 nan 0.000 0.556 582 C N 3.750 123.060 119.300 0.017 0.000 3.882 582 C HA 0.440 4.859 4.460 -0.068 0.000 0.340 582 C C -0.123 175.016 174.990 0.249 0.000 1.563 582 C CA -0.260 58.834 59.018 0.126 0.000 1.870 582 C CB -0.891 26.885 27.740 0.060 0.000 2.795 582 C HN 0.833 nan 8.230 nan 0.000 0.692 583 H N -1.230 117.927 119.070 0.145 0.000 2.938 583 H HA 0.356 4.871 4.556 -0.069 0.000 0.273 583 H C 0.524 175.959 175.328 0.178 0.000 1.380 583 H CA 0.445 56.579 56.048 0.143 0.000 1.314 583 H CB 1.443 31.270 29.762 0.109 0.000 1.880 583 H HN 0.002 nan 8.280 nan 0.000 0.489 584 A N 2.648 125.492 122.820 0.041 0.000 2.019 584 A HA -0.021 4.258 4.320 -0.068 0.000 0.219 584 A C 1.621 179.360 177.584 0.258 0.000 1.164 584 A CA 1.239 53.385 52.037 0.181 0.000 0.644 584 A CB -0.250 18.775 19.000 0.041 0.000 0.805 584 A HN 0.414 nan 8.150 nan 0.000 0.449 585 L N -0.815 120.665 121.223 0.428 0.000 2.912 585 L HA 0.136 4.435 4.340 -0.068 0.000 0.240 585 L C 1.581 178.485 176.870 0.055 0.000 1.262 585 L CA -0.021 54.941 54.840 0.202 0.000 1.058 585 L CB -0.359 41.800 42.059 0.167 0.000 1.383 585 L HN 0.597 nan 8.230 nan 0.000 0.512 586 H N 0.688 119.682 119.070 -0.127 0.000 2.352 586 H HA -0.186 4.329 4.556 -0.069 0.000 0.299 586 H C 2.140 177.318 175.328 -0.250 0.000 1.097 586 H CA 1.862 57.718 56.048 -0.321 0.000 1.311 586 H CB 0.331 29.520 29.762 -0.955 0.000 1.377 586 H HN 0.144 nan 8.280 nan 0.000 0.504 587 M N 0.326 119.701 119.600 -0.375 0.000 2.279 587 M HA -0.082 4.357 4.480 -0.068 0.000 0.264 587 M C 1.353 177.484 176.300 -0.282 0.000 1.062 587 M CA 1.310 56.393 55.300 -0.362 0.000 1.099 587 M CB -0.637 31.863 32.600 -0.167 0.000 1.394 587 M HN 0.374 nan 8.290 nan 0.000 0.426 588 E N -0.387 119.702 120.200 -0.184 0.000 2.489 588 E HA 0.109 4.418 4.350 -0.068 0.000 0.193 588 E C 0.622 177.173 176.600 -0.081 0.000 1.057 588 E CA -0.034 56.294 56.400 -0.120 0.000 0.866 588 E CB -0.178 29.485 29.700 -0.062 0.000 0.916 588 E HN 0.346 nan 8.360 nan 0.000 0.500 589 M N 2.595 122.120 119.600 -0.125 0.000 3.011 589 M HA 0.159 4.598 4.480 -0.068 0.000 0.292 589 M C -0.732 175.649 176.300 0.136 0.000 1.440 589 M CA 0.099 55.350 55.300 -0.082 0.000 1.552 589 M CB -0.415 32.068 32.600 -0.196 0.000 1.187 589 M HN -0.069 nan 8.290 nan 0.000 0.520 590 R N 1.836 122.483 120.500 0.245 0.000 2.712 590 R HA 0.920 5.219 4.340 -0.068 0.000 0.272 590 R C -1.211 175.221 176.300 0.221 0.000 1.032 590 R CA -1.218 55.063 56.100 0.303 0.000 0.874 590 R CB 0.980 31.371 30.300 0.151 0.000 1.256 590 R HN 0.444 nan 8.270 nan 0.000 0.468 591 G N 0.709 109.370 108.800 -0.232 0.000 2.649 591 G HA2 0.582 4.501 3.960 -0.068 0.000 0.290 591 G HA3 0.582 4.501 3.960 -0.068 0.000 0.290 591 G C -1.683 172.367 174.900 -1.415 0.000 1.426 591 G CA -1.208 43.435 45.100 -0.762 0.000 0.794 591 G HN 0.408 nan 8.290 nan 0.000 0.483 592 R N -0.166 119.615 120.500 -1.198 0.000 2.445 592 R HA 0.595 4.894 4.340 -0.068 0.000 0.308 592 R C -0.096 175.624 176.300 -0.968 0.000 0.961 592 R CA -0.559 54.747 56.100 -1.323 0.000 0.862 592 R CB 2.257 31.581 30.300 -1.627 0.000 1.144 592 R HN 0.534 nan 8.270 nan 0.000 0.447 593 M N 4.027 123.120 119.600 -0.844 0.000 2.129 593 M HA 0.421 4.860 4.480 -0.068 0.000 0.348 593 M C -1.472 174.413 176.300 -0.693 0.000 1.116 593 M CA -0.366 54.370 55.300 -0.938 0.000 1.022 593 M CB 0.643 32.827 32.600 -0.693 0.000 1.599 593 M HN 0.492 nan 8.290 nan 0.000 0.449 594 F N 4.537 124.296 119.950 -0.319 0.000 2.410 594 F HA 0.491 4.977 4.527 -0.068 0.000 0.349 594 F C -0.296 175.470 175.800 -0.056 0.000 1.117 594 F CA -0.830 57.076 58.000 -0.156 0.000 1.104 594 F CB 1.314 40.234 39.000 -0.134 0.000 1.122 594 F HN 0.193 nan 8.300 nan 0.000 0.483 595 V N 3.447 123.487 119.914 0.209 0.000 2.313 595 V HA 0.220 4.299 4.120 -0.068 0.000 0.278 595 V C -0.187 175.998 176.094 0.152 0.000 1.017 595 V CA -0.986 61.429 62.300 0.191 0.000 0.823 595 V CB 0.994 32.981 31.823 0.274 0.000 1.010 595 V HN 0.705 nan 8.190 nan 0.000 0.443 596 E N 6.657 126.923 120.200 0.110 0.000 2.289 596 E HA 0.296 4.605 4.350 -0.068 0.000 0.278 596 E C -2.250 174.388 176.600 0.062 0.000 1.032 596 E CA -1.512 54.930 56.400 0.069 0.000 0.854 596 E CB 1.085 30.811 29.700 0.044 0.000 1.046 596 E HN 0.462 nan 8.360 nan 0.000 0.409 597 P HA 0.000 nan 4.420 nan 0.000 0.216 597 P CA 0.000 63.126 63.100 0.043 0.000 0.800 597 P CB 0.000 31.720 31.700 0.034 0.000 0.726