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 2gek_1_A DATA FIRST_RESID 1 DATA SEQUENCE MRIGMVCPYS FDVPGGVQSH VLQLAEVLRD AGHEVSVLAP ASPHVKLPDY DATA SEQUENCE VVSGGKAVXX XXXXXXXXXX FGPATHRKVK KWIAEGDFDV LHIHEPNAPS DATA SEQUENCE LSMLALQAAE GPIVATFHTS TTKSLTLSVF QGILRPYHEK IIGRIAVSDL DATA SEQUENCE ARRWQMEALG SDAVEIPNGV DVASFADAPL LDGYPREGRT VLFLGRYDEP DATA SEQUENCE RKGMAVLLAA LPKLVARFPD VEILIVGRGD EDELREQAGD LAGHLRFLGQ DATA SEQUENCE VDDATKASAM RSADVYCAPH LGGESFGIVL VEAMAAGTAV VASDLDAFRR DATA SEQUENCE VLADGDAGRL VPVDDADGMA AALIGILEDD QLRAGYVARA SERVHRYDWS DATA SEQUENCE VVSAQIMRVY ETVSGAGIKV QVS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.360 176.300 0.099 0.000 1.140 1 M CA 0.000 55.377 55.300 0.129 0.000 0.988 1 M CB 0.000 32.619 32.600 0.031 0.000 1.302 2 R N 2.488 123.018 120.500 0.050 0.000 2.229 2 R HA 0.705 5.046 4.340 0.001 0.000 0.332 2 R C -1.177 175.154 176.300 0.052 0.000 0.989 2 R CA -0.426 55.725 56.100 0.085 0.000 0.842 2 R CB 1.070 31.437 30.300 0.111 0.000 1.119 2 R HN 0.508 nan 8.270 nan 0.000 0.456 3 I N 1.788 122.332 120.570 -0.043 0.000 2.362 3 I HA 0.282 4.453 4.170 0.001 0.000 0.289 3 I C 0.724 176.591 176.117 -0.415 0.000 0.994 3 I CA -0.403 60.746 61.300 -0.251 0.000 1.158 3 I CB 2.092 39.925 38.000 -0.278 0.000 1.315 3 I HN 0.570 nan 8.210 nan 0.000 0.451 4 G N 7.278 115.519 108.800 -0.932 0.000 2.325 4 G HA2 0.678 4.639 3.960 0.001 0.000 0.298 4 G HA3 0.678 4.639 3.960 0.001 0.000 0.298 4 G C -0.506 174.229 174.900 -0.275 0.000 1.134 4 G CA -0.550 43.806 45.100 -1.239 0.000 0.876 4 G HN 0.457 nan 8.290 nan 0.000 0.452 5 M N 2.017 121.658 119.600 0.068 0.000 2.393 5 M HA 0.404 4.885 4.480 0.001 0.000 0.316 5 M C -0.877 175.504 176.300 0.134 0.000 1.087 5 M CA -0.890 54.501 55.300 0.151 0.000 0.937 5 M CB 2.770 35.453 32.600 0.137 0.000 1.668 5 M HN 0.128 nan 8.290 nan 0.000 0.438 6 V N 1.697 121.670 119.914 0.099 0.000 2.409 6 V HA 0.309 4.430 4.120 0.001 0.000 0.291 6 V C -0.739 175.330 176.094 -0.041 0.000 1.020 6 V CA -0.828 61.430 62.300 -0.071 0.000 0.848 6 V CB 1.646 33.399 31.823 -0.116 0.000 0.990 6 V HN 1.035 nan 8.190 nan 0.000 0.430 7 C N 8.487 127.704 119.300 -0.140 0.000 2.307 7 C HA 0.556 5.016 4.460 0.001 0.000 0.340 7 C C -0.788 173.991 174.990 -0.351 0.000 1.275 7 C CA -1.478 57.402 59.018 -0.230 0.000 1.811 7 C CB 1.298 28.897 27.740 -0.235 0.000 2.372 7 C HN 0.805 nan 8.230 nan 0.000 0.531 8 P HA 0.067 nan 4.420 nan 0.000 0.245 8 P C -0.680 176.298 177.300 -0.535 0.000 1.206 8 P CA 0.892 63.663 63.100 -0.548 0.000 0.781 8 P CB -0.050 31.215 31.700 -0.725 0.000 0.994 9 Y N -1.167 118.999 120.300 -0.222 0.000 2.509 9 Y HA 0.430 4.981 4.550 0.001 0.000 0.341 9 Y C 1.174 176.825 175.900 -0.416 0.000 1.038 9 Y CA -1.412 56.544 58.100 -0.239 0.000 1.089 9 Y CB 1.369 39.710 38.460 -0.199 0.000 1.241 9 Y HN -0.315 nan 8.280 nan 0.000 0.468 10 S N 1.076 116.708 115.700 -0.114 0.000 2.572 10 S HA 0.114 4.585 4.470 0.001 0.000 0.279 10 S C 0.390 174.815 174.600 -0.291 0.000 1.341 10 S CA -0.369 57.703 58.200 -0.215 0.000 1.043 10 S CB 0.091 63.240 63.200 -0.086 0.000 0.887 10 S HN 0.585 nan 8.310 nan 0.000 0.516 11 F N 1.552 121.505 119.950 0.005 0.000 2.816 11 F HA 0.092 4.619 4.527 0.001 0.000 0.302 11 F C 1.725 177.530 175.800 0.009 0.000 1.178 11 F CA -0.173 57.830 58.000 0.004 0.000 1.421 11 F CB 0.061 39.050 39.000 -0.018 0.000 1.114 11 F HN 0.506 nan 8.300 nan 0.000 0.573 12 D N -0.144 120.320 120.400 0.106 0.000 2.264 12 D HA -0.021 4.620 4.640 0.001 0.000 0.208 12 D C 0.584 176.952 176.300 0.114 0.000 0.966 12 D CA 0.914 54.974 54.000 0.100 0.000 0.864 12 D CB 0.335 41.144 40.800 0.014 0.000 0.933 12 D HN -0.001 nan 8.370 nan 0.000 0.499 13 V N 1.238 121.200 119.914 0.080 0.000 2.962 13 V HA 0.298 4.419 4.120 0.001 0.000 0.313 13 V C -2.231 173.905 176.094 0.070 0.000 1.099 13 V CA -1.699 60.638 62.300 0.063 0.000 0.971 13 V CB 2.717 34.555 31.823 0.024 0.000 1.028 13 V HN -0.113 nan 8.190 nan 0.000 0.430 14 P HA 0.487 nan 4.420 nan 0.000 0.272 14 P C -0.313 177.016 177.300 0.049 0.000 1.223 14 P CA 0.219 63.367 63.100 0.080 0.000 0.784 14 P CB 1.307 33.055 31.700 0.080 0.000 0.923 15 G N -0.400 108.440 108.800 0.067 0.000 2.523 15 G HA2 0.436 4.397 3.960 0.001 0.000 0.291 15 G HA3 0.436 4.397 3.960 0.001 0.000 0.291 15 G C 0.559 175.503 174.900 0.073 0.000 1.450 15 G CA -0.118 45.001 45.100 0.032 0.000 0.790 15 G HN 0.458 nan 8.290 nan 0.000 0.496 16 G N -0.849 107.988 108.800 0.062 0.000 2.402 16 G HA2 0.043 4.004 3.960 0.001 0.000 0.216 16 G HA3 0.043 4.004 3.960 0.001 0.000 0.216 16 G C 1.636 176.577 174.900 0.069 0.000 1.162 16 G CA 1.944 47.101 45.100 0.096 0.000 0.777 16 G HN 0.752 nan 8.290 nan 0.000 0.539 17 V N 0.616 120.513 119.914 -0.027 0.000 2.270 17 V HA -0.213 3.908 4.120 0.001 0.000 0.245 17 V C 2.901 178.998 176.094 0.006 0.000 1.043 17 V CA 2.212 64.401 62.300 -0.185 0.000 1.014 17 V CB -0.790 30.918 31.823 -0.192 0.000 0.645 17 V HN 0.309 nan 8.190 nan 0.000 0.447 18 Q N 0.400 120.264 119.800 0.107 0.000 2.077 18 Q HA -0.218 4.123 4.340 0.001 0.000 0.206 18 Q C 2.542 178.741 176.000 0.332 0.000 0.989 18 Q CA 2.363 58.314 55.803 0.248 0.000 0.853 18 Q CB -0.619 28.269 28.738 0.250 0.000 0.907 18 Q HN 0.640 nan 8.270 nan 0.000 0.418 19 S N -0.502 115.341 115.700 0.239 0.000 2.406 19 S HA -0.210 4.261 4.470 0.001 0.000 0.228 19 S C 1.922 176.675 174.600 0.255 0.000 1.020 19 S CA 0.868 59.198 58.200 0.218 0.000 0.965 19 S CB -0.296 63.026 63.200 0.203 0.000 0.798 19 S HN 0.554 nan 8.310 nan 0.000 0.488 20 H N 0.904 120.088 119.070 0.190 0.000 2.319 20 H HA -0.055 4.502 4.556 0.001 0.000 0.299 20 H C 2.080 177.478 175.328 0.116 0.000 1.092 20 H CA 2.100 58.318 56.048 0.282 0.000 1.302 20 H CB -0.440 29.478 29.762 0.259 0.000 1.373 20 H HN 0.342 nan 8.280 nan 0.000 0.497 21 V N 1.520 121.468 119.914 0.057 0.000 2.261 21 V HA -0.274 3.847 4.120 0.001 0.000 0.246 21 V C 3.119 179.167 176.094 -0.076 0.000 1.047 21 V CA 1.723 63.964 62.300 -0.097 0.000 1.015 21 V CB -0.715 31.048 31.823 -0.100 0.000 0.642 21 V HN 0.329 nan 8.190 nan 0.000 0.446 22 L N -0.521 120.685 121.223 -0.029 0.000 2.046 22 L HA -0.242 4.099 4.340 0.001 0.000 0.208 22 L C 2.729 179.509 176.870 -0.151 0.000 1.077 22 L CA 1.743 56.517 54.840 -0.109 0.000 0.747 22 L CB -0.577 41.368 42.059 -0.191 0.000 0.896 22 L HN 0.421 nan 8.230 nan 0.000 0.432 23 Q N -0.647 119.032 119.800 -0.203 0.000 2.123 23 Q HA -0.206 4.135 4.340 0.001 0.000 0.199 23 Q C 2.169 177.660 176.000 -0.850 0.000 0.966 23 Q CA 1.000 56.548 55.803 -0.425 0.000 0.845 23 Q CB -0.170 28.410 28.738 -0.263 0.000 0.907 23 Q HN 0.314 nan 8.270 nan 0.000 0.439 24 L N 1.057 121.757 121.223 -0.871 0.000 2.017 24 L HA -0.112 4.229 4.340 0.001 0.000 0.208 24 L C 2.222 178.862 176.870 -0.384 0.000 1.073 24 L CA 2.072 56.432 54.840 -0.800 0.000 0.745 24 L CB -0.995 40.751 42.059 -0.521 0.000 0.894 24 L HN 0.134 nan 8.230 nan 0.000 0.432 25 A N -0.562 122.118 122.820 -0.233 0.000 1.884 25 A HA -0.349 3.972 4.320 0.001 0.000 0.219 25 A C 2.344 179.793 177.584 -0.225 0.000 1.197 25 A CA 2.241 54.179 52.037 -0.166 0.000 0.637 25 A CB -1.005 17.978 19.000 -0.029 0.000 0.827 25 A HN 0.653 nan 8.150 nan 0.000 0.450 26 E N -0.487 119.602 120.200 -0.185 0.000 2.058 26 E HA -0.161 4.190 4.350 0.001 0.000 0.194 26 E C 1.910 178.404 176.600 -0.176 0.000 0.997 26 E CA 1.617 57.930 56.400 -0.146 0.000 0.801 26 E CB -0.191 29.444 29.700 -0.109 0.000 0.746 26 E HN 0.305 nan 8.360 nan 0.000 0.450 27 V N 0.903 120.659 119.914 -0.263 0.000 2.343 27 V HA -0.242 3.879 4.120 0.001 0.000 0.247 27 V C 2.358 178.395 176.094 -0.094 0.000 1.051 27 V CA 1.180 63.352 62.300 -0.212 0.000 1.036 27 V CB -0.352 31.248 31.823 -0.370 0.000 0.654 27 V HN 0.322 nan 8.190 nan 0.000 0.451 28 L N -0.386 120.786 121.223 -0.085 0.000 2.056 28 L HA -0.060 4.281 4.340 0.001 0.000 0.207 28 L C 2.532 179.450 176.870 0.081 0.000 1.078 28 L CA 1.730 56.603 54.840 0.056 0.000 0.749 28 L CB -1.084 41.000 42.059 0.043 0.000 0.901 28 L HN 0.252 nan 8.230 nan 0.000 0.433 29 R N -0.273 120.192 120.500 -0.059 0.000 2.091 29 R HA -0.186 4.155 4.340 0.001 0.000 0.238 29 R C 1.685 177.941 176.300 -0.073 0.000 1.136 29 R CA 1.649 57.692 56.100 -0.095 0.000 0.959 29 R CB -0.438 29.744 30.300 -0.196 0.000 0.856 29 R HN 0.382 nan 8.270 nan 0.000 0.437 30 D N 0.346 120.709 120.400 -0.061 0.000 2.264 30 D HA -0.082 4.559 4.640 0.001 0.000 0.208 30 D C 1.254 177.527 176.300 -0.046 0.000 0.966 30 D CA 1.104 55.075 54.000 -0.048 0.000 0.864 30 D CB -0.014 40.763 40.800 -0.039 0.000 0.933 30 D HN 0.266 nan 8.370 nan 0.000 0.499 31 A N -0.432 122.368 122.820 -0.032 0.000 2.259 31 A HA 0.485 4.806 4.320 0.001 0.000 0.208 31 A C 1.811 179.234 177.584 -0.269 0.000 1.201 31 A CA 0.788 52.783 52.037 -0.069 0.000 0.824 31 A CB -0.334 18.705 19.000 0.065 0.000 0.838 31 A HN 0.238 nan 8.150 nan 0.000 0.485 32 G N -1.319 107.336 108.800 -0.242 0.000 2.176 32 G HA2 -0.194 3.767 3.960 0.001 0.000 0.232 32 G HA3 -0.194 3.767 3.960 0.001 0.000 0.232 32 G C 0.102 174.800 174.900 -0.336 0.000 0.986 32 G CA 0.178 45.109 45.100 -0.280 0.000 0.643 32 G HN 0.666 nan 8.290 nan 0.000 0.522 33 H N 0.740 119.793 119.070 -0.028 0.000 2.505 33 H HA 0.504 5.061 4.556 0.001 0.000 0.355 33 H C 0.120 175.414 175.328 -0.057 0.000 1.179 33 H CA 0.005 56.037 56.048 -0.027 0.000 1.343 33 H CB 0.916 30.675 29.762 -0.005 0.000 1.501 33 H HN 0.422 nan 8.280 nan 0.000 0.569 34 E N 1.046 121.298 120.200 0.085 0.000 2.197 34 E HA 0.405 4.756 4.350 0.001 0.000 0.281 34 E C -0.883 175.722 176.600 0.009 0.000 0.995 34 E CA -0.636 55.774 56.400 0.017 0.000 0.808 34 E CB 1.713 31.434 29.700 0.035 0.000 1.093 34 E HN 0.163 nan 8.360 nan 0.000 0.394 35 V N 2.140 122.008 119.914 -0.077 0.000 2.638 35 V HA 0.346 4.467 4.120 0.001 0.000 0.306 35 V C -0.538 175.558 176.094 0.005 0.000 1.052 35 V CA -0.722 61.528 62.300 -0.085 0.000 0.885 35 V CB 2.017 33.729 31.823 -0.185 0.000 0.999 35 V HN 0.565 nan 8.190 nan 0.000 0.424 36 S N 3.407 119.190 115.700 0.139 0.000 2.552 36 S HA 0.710 5.181 4.470 0.001 0.000 0.314 36 S C -0.914 173.916 174.600 0.384 0.000 1.099 36 S CA -0.431 57.982 58.200 0.356 0.000 1.070 36 S CB 1.388 64.911 63.200 0.538 0.000 0.998 36 S HN 0.500 nan 8.310 nan 0.000 0.474 37 V N 6.288 126.430 119.914 0.381 0.000 2.347 37 V HA 0.477 4.598 4.120 0.001 0.000 0.280 37 V C -0.191 175.933 176.094 0.050 0.000 1.021 37 V CA -0.742 61.699 62.300 0.236 0.000 0.847 37 V CB 1.043 33.005 31.823 0.232 0.000 0.990 37 V HN 0.810 nan 8.190 nan 0.000 0.444 38 L N 5.525 126.595 121.223 -0.256 0.000 2.289 38 L HA 0.908 5.249 4.340 0.001 0.000 0.285 38 L C 0.092 176.753 176.870 -0.350 0.000 1.049 38 L CA 0.425 54.900 54.840 -0.608 0.000 0.804 38 L CB 1.110 42.245 42.059 -1.540 0.000 1.195 38 L HN 0.795 nan 8.230 nan 0.000 0.428 39 A N 5.108 127.771 122.820 -0.262 0.000 2.609 39 A HA 0.880 5.201 4.320 0.001 0.000 0.291 39 A C -2.951 174.507 177.584 -0.209 0.000 1.096 39 A CA -1.396 50.494 52.037 -0.245 0.000 0.684 39 A CB 1.103 19.975 19.000 -0.212 0.000 1.282 39 A HN 0.527 nan 8.150 nan 0.000 0.412 40 P HA 0.362 nan 4.420 nan 0.000 0.271 40 P C -0.056 177.220 177.300 -0.039 0.000 1.244 40 P CA 0.221 63.307 63.100 -0.023 0.000 0.793 40 P CB 0.401 32.166 31.700 0.109 0.000 0.984 41 A N 1.110 123.926 122.820 -0.007 0.000 2.566 41 A HA 0.205 4.526 4.320 0.001 0.000 0.245 41 A C 0.197 177.750 177.584 -0.052 0.000 1.056 41 A CA 0.752 52.773 52.037 -0.027 0.000 0.757 41 A CB -0.797 18.186 19.000 -0.029 0.000 0.979 41 A HN 0.386 nan 8.150 nan 0.000 0.508 42 S N 4.728 120.413 115.700 -0.024 0.000 2.062 42 S HA 0.333 4.804 4.470 0.001 0.000 0.163 42 S C -1.983 172.592 174.600 -0.042 0.000 1.612 42 S CA -0.629 57.560 58.200 -0.019 0.000 1.251 42 S CB 0.827 64.112 63.200 0.142 0.000 1.174 42 S HN 0.749 nan 8.310 nan 0.000 0.428 43 P HA -0.050 nan 4.420 nan 0.000 0.229 43 P C 0.447 177.783 177.300 0.059 0.000 1.160 43 P CA 0.895 63.964 63.100 -0.051 0.000 0.777 43 P CB -0.117 31.544 31.700 -0.064 0.000 0.814 44 H N -1.487 117.598 119.070 0.025 0.000 2.539 44 H HA 0.269 4.826 4.556 0.002 0.000 0.267 44 H C 0.216 175.557 175.328 0.021 0.000 0.982 44 H CA -0.600 55.460 56.048 0.020 0.000 1.146 44 H CB 0.490 30.265 29.762 0.021 0.000 1.382 44 H HN -0.060 nan 8.280 nan 0.000 0.577 45 V N 1.648 121.637 119.914 0.125 0.000 2.925 45 V HA 0.123 4.244 4.120 0.001 0.000 0.311 45 V C -1.001 175.107 176.094 0.023 0.000 1.104 45 V CA -1.294 61.050 62.300 0.074 0.000 0.954 45 V CB 2.349 34.225 31.823 0.088 0.000 1.022 45 V HN 0.215 nan 8.190 nan 0.000 0.427 46 K N 4.401 124.798 120.400 -0.005 0.000 2.276 46 K HA 0.676 4.997 4.320 0.001 0.000 0.285 46 K C -1.195 175.353 176.600 -0.087 0.000 1.062 46 K CA 0.096 56.361 56.287 -0.037 0.000 0.918 46 K CB 0.486 32.967 32.500 -0.032 0.000 1.055 46 K HN 0.482 nan 8.250 nan 0.000 0.477 47 L N 3.803 124.953 121.223 -0.121 0.000 2.341 47 L HA 0.585 4.926 4.340 0.001 0.000 0.267 47 L C -2.017 174.696 176.870 -0.263 0.000 1.009 47 L CA -2.433 52.273 54.840 -0.223 0.000 0.819 47 L CB 1.882 43.801 42.059 -0.234 0.000 1.323 47 L HN 0.606 nan 8.230 nan 0.000 0.425 48 P HA 0.109 nan 4.420 nan 0.000 0.272 48 P C -0.474 176.561 177.300 -0.441 0.000 1.240 48 P CA -0.409 62.428 63.100 -0.440 0.000 0.791 48 P CB 0.400 31.713 31.700 -0.646 0.000 0.978 49 D N -0.956 119.304 120.400 -0.234 0.000 2.371 49 D HA -0.178 4.463 4.640 0.001 0.000 0.221 49 D C 1.165 177.446 176.300 -0.032 0.000 0.986 49 D CA 0.769 54.710 54.000 -0.098 0.000 0.899 49 D CB -1.032 39.761 40.800 -0.013 0.000 0.902 49 D HN 0.552 nan 8.370 nan 0.000 0.530 50 Y N -0.682 119.626 120.300 0.015 0.000 2.511 50 Y HA 0.337 4.888 4.550 0.002 0.000 0.279 50 Y C 0.304 176.240 175.900 0.061 0.000 1.157 50 Y CA -0.812 57.317 58.100 0.050 0.000 1.300 50 Y CB -0.494 37.993 38.460 0.045 0.000 1.052 50 Y HN -0.210 nan 8.280 nan 0.000 0.529 51 V N 2.675 122.473 119.914 -0.193 0.000 2.488 51 V HA 0.255 4.376 4.120 0.001 0.000 0.277 51 V C 0.054 176.146 176.094 -0.004 0.000 1.046 51 V CA -0.876 61.377 62.300 -0.078 0.000 0.986 51 V CB 1.053 32.754 31.823 -0.203 0.000 0.989 51 V HN 0.095 nan 8.190 nan 0.000 0.475 52 V N 4.064 123.993 119.914 0.025 0.000 2.581 52 V HA 0.438 4.559 4.120 0.001 0.000 0.303 52 V C 0.262 176.301 176.094 -0.093 0.000 1.041 52 V CA -0.378 61.917 62.300 -0.009 0.000 0.907 52 V CB 2.230 34.073 31.823 0.034 0.000 0.994 52 V HN 0.886 nan 8.190 nan 0.000 0.442 53 S N 2.753 118.410 115.700 -0.073 0.000 2.499 53 S HA 0.443 4.913 4.470 0.001 0.000 0.279 53 S C 1.087 175.600 174.600 -0.144 0.000 1.219 53 S CA 0.123 58.270 58.200 -0.087 0.000 1.062 53 S CB 1.160 64.336 63.200 -0.039 0.000 0.978 53 S HN 1.037 nan 8.310 nan 0.000 0.489 54 G N 2.608 111.290 108.800 -0.198 0.000 3.141 54 G HA2 0.502 4.463 3.960 0.001 0.000 0.218 54 G HA3 0.502 4.463 3.960 0.001 0.000 0.218 54 G C 0.846 175.659 174.900 -0.145 0.000 1.170 54 G CA 0.148 45.091 45.100 -0.262 0.000 0.769 54 G HN 1.504 nan 8.290 nan 0.000 0.546 55 G N -1.510 107.272 108.800 -0.030 0.000 2.631 55 G HA2 0.443 4.404 3.960 0.001 0.000 0.504 55 G HA3 0.443 4.404 3.960 0.001 0.000 0.504 55 G C -0.362 174.632 174.900 0.156 0.000 1.306 55 G CA -0.089 45.046 45.100 0.059 0.000 0.897 55 G HN 1.070 nan 8.290 nan 0.000 0.520 56 K N -0.726 119.745 120.400 0.118 0.000 2.206 56 K HA 1.030 5.351 4.320 0.001 0.000 0.264 56 K C 0.522 177.068 176.600 -0.090 0.000 0.967 56 K CA 0.758 57.065 56.287 0.034 0.000 0.844 56 K CB 1.410 33.896 32.500 -0.024 0.000 1.099 56 K HN 2.415 nan 8.250 nan 0.000 0.441 57 A N 1.189 123.751 122.820 -0.430 0.000 2.462 57 A HA 0.617 4.938 4.320 0.001 0.000 0.243 57 A C 0.719 178.105 177.584 -0.329 0.000 1.076 57 A CA 0.502 52.087 52.037 -0.755 0.000 0.773 57 A CB -0.327 18.027 19.000 -1.076 0.000 1.010 57 A HN 1.890 nan 8.150 nan 0.000 0.493 72 G N 1.507 110.443 108.800 0.228 0.000 2.543 72 G HA2 0.532 4.493 3.960 0.001 0.000 0.290 72 G HA3 0.532 4.493 3.960 0.001 0.000 0.290 72 G C -2.107 172.973 174.900 0.300 0.000 1.310 72 G CA -1.494 43.735 45.100 0.216 0.000 1.025 72 G HN 0.362 nan 8.290 nan 0.000 0.502 73 P HA -0.184 nan 4.420 nan 0.000 0.216 73 P C 2.177 179.579 177.300 0.169 0.000 1.157 73 P CA 2.423 65.650 63.100 0.211 0.000 0.880 73 P CB 0.032 31.788 31.700 0.093 0.000 0.791 74 A N -1.175 121.710 122.820 0.107 0.000 1.986 74 A HA -0.234 4.087 4.320 0.001 0.000 0.220 74 A C 2.250 179.859 177.584 0.042 0.000 1.171 74 A CA 2.548 54.625 52.037 0.067 0.000 0.640 74 A CB -1.886 17.144 19.000 0.050 0.000 0.811 74 A HN 0.206 nan 8.150 nan 0.000 0.451 75 T N -1.098 113.472 114.554 0.027 0.000 2.812 75 T HA -0.081 4.270 4.350 0.001 0.000 0.264 75 T C 1.772 176.362 174.700 -0.183 0.000 1.042 75 T CA 1.254 63.286 62.100 -0.113 0.000 1.140 75 T CB -0.437 68.338 68.868 -0.155 0.000 0.870 75 T HN 0.649 nan 8.240 nan 0.000 0.445 76 H N 1.064 120.116 119.070 -0.029 0.000 2.387 76 H HA 0.056 4.612 4.556 0.001 0.000 0.299 76 H C 2.614 177.938 175.328 -0.007 0.000 1.090 76 H CA 1.134 57.166 56.048 -0.026 0.000 1.332 76 H CB -0.005 29.755 29.762 -0.004 0.000 1.386 76 H HN 0.260 nan 8.280 nan 0.000 0.516 77 R N 0.601 121.173 120.500 0.119 0.000 2.075 77 R HA -0.120 4.221 4.340 0.001 0.000 0.232 77 R C 2.435 178.772 176.300 0.061 0.000 1.126 77 R CA 1.230 57.377 56.100 0.078 0.000 0.963 77 R CB 0.020 30.358 30.300 0.064 0.000 0.858 77 R HN 0.027 nan 8.270 nan 0.000 0.435 78 K N 0.561 120.979 120.400 0.031 0.000 2.026 78 K HA -0.099 4.222 4.320 0.001 0.000 0.208 78 K C 1.787 178.433 176.600 0.076 0.000 1.048 78 K CA 1.410 57.715 56.287 0.030 0.000 0.929 78 K CB -0.420 32.060 32.500 -0.033 0.000 0.713 78 K HN -0.039 nan 8.250 nan 0.000 0.439 79 V N 1.180 121.104 119.914 0.016 0.000 2.261 79 V HA -0.274 3.847 4.120 0.001 0.000 0.246 79 V C 2.221 178.436 176.094 0.200 0.000 1.047 79 V CA 2.196 64.548 62.300 0.087 0.000 1.015 79 V CB -0.450 31.340 31.823 -0.056 0.000 0.642 79 V HN 0.350 nan 8.190 nan 0.000 0.446 80 K N 0.036 120.511 120.400 0.125 0.000 2.063 80 K HA -0.236 4.085 4.320 0.001 0.000 0.208 80 K C 2.303 178.969 176.600 0.111 0.000 1.048 80 K CA 1.768 58.122 56.287 0.111 0.000 0.928 80 K CB -0.246 32.302 32.500 0.080 0.000 0.713 80 K HN 0.369 nan 8.250 nan 0.000 0.442 81 K N 0.011 120.481 120.400 0.116 0.000 2.097 81 K HA -0.203 4.118 4.320 0.001 0.000 0.206 81 K C 1.966 178.643 176.600 0.129 0.000 1.049 81 K CA 1.404 57.749 56.287 0.097 0.000 0.933 81 K CB -0.158 32.397 32.500 0.092 0.000 0.717 81 K HN 0.263 nan 8.250 nan 0.000 0.442 82 W N 1.361 122.671 121.300 0.017 0.000 2.381 82 W HA -0.085 4.575 4.660 0.001 0.000 0.301 82 W C 1.419 177.986 176.519 0.080 0.000 1.205 82 W CA 1.215 58.593 57.345 0.056 0.000 1.285 82 W CB -0.136 29.378 29.460 0.089 0.000 1.133 82 W HN -0.018 nan 8.180 nan 0.000 0.521 83 I N 0.977 121.610 120.570 0.104 0.000 2.133 83 I HA -0.290 3.881 4.170 0.001 0.000 0.238 83 I C 2.708 178.699 176.117 -0.210 0.000 1.074 83 I CA 1.773 63.027 61.300 -0.077 0.000 1.342 83 I CB -1.165 36.890 38.000 0.091 0.000 1.053 83 I HN 0.070 nan 8.210 nan 0.000 0.404 84 A N 0.016 122.775 122.820 -0.103 0.000 1.986 84 A HA -0.238 4.083 4.320 0.001 0.000 0.220 84 A C 2.144 179.620 177.584 -0.180 0.000 1.171 84 A CA 1.908 53.878 52.037 -0.112 0.000 0.640 84 A CB -0.556 18.418 19.000 -0.045 0.000 0.811 84 A HN 0.523 nan 8.150 nan 0.000 0.451 85 E N -1.433 118.639 120.200 -0.213 0.000 2.472 85 E HA 0.075 4.426 4.350 0.001 0.000 0.196 85 E C 1.785 178.137 176.600 -0.414 0.000 1.033 85 E CA 0.315 56.576 56.400 -0.231 0.000 0.886 85 E CB 0.088 29.713 29.700 -0.125 0.000 0.944 85 E HN 0.601 nan 8.360 nan 0.000 0.492 86 G N 0.791 109.134 108.800 -0.762 0.000 2.603 86 G HA2 -0.117 3.844 3.960 0.001 0.000 0.214 86 G HA3 -0.117 3.844 3.960 0.001 0.000 0.214 86 G C 0.197 174.299 174.900 -1.329 0.000 1.140 86 G CA -0.044 44.205 45.100 -1.419 0.000 0.800 86 G HN 0.088 nan 8.290 nan 0.000 0.533 87 D N -0.611 119.285 120.400 -0.839 0.000 2.800 87 D HA -0.147 4.494 4.640 0.001 0.000 0.232 87 D C -0.271 175.816 176.300 -0.355 0.000 1.137 87 D CA 0.674 54.403 54.000 -0.453 0.000 0.718 87 D CB -1.814 38.810 40.800 -0.292 0.000 1.084 87 D HN 0.447 nan 8.370 nan 0.000 0.432 88 F N 0.607 120.434 119.950 -0.205 0.000 2.456 88 F HA 0.109 4.637 4.527 0.001 0.000 0.358 88 F C 1.990 177.697 175.800 -0.155 0.000 1.095 88 F CA -0.727 57.151 58.000 -0.204 0.000 1.216 88 F CB 0.669 39.504 39.000 -0.275 0.000 1.125 88 F HN -0.233 nan 8.300 nan 0.000 0.549 89 D N 1.705 122.138 120.400 0.055 0.000 2.194 89 D HA 0.003 4.644 4.640 0.001 0.000 0.204 89 D C 0.255 176.515 176.300 -0.067 0.000 0.964 89 D CA 1.220 55.210 54.000 -0.018 0.000 0.846 89 D CB 0.489 41.271 40.800 -0.030 0.000 0.962 89 D HN 0.090 nan 8.370 nan 0.000 0.490 90 V N 1.154 120.986 119.914 -0.136 0.000 2.888 90 V HA 0.262 4.382 4.120 0.001 0.000 0.309 90 V C -0.982 174.961 176.094 -0.252 0.000 1.114 90 V CA -1.000 61.159 62.300 -0.235 0.000 0.940 90 V CB 2.958 34.480 31.823 -0.500 0.000 1.021 90 V HN -0.096 nan 8.190 nan 0.000 0.426 91 L N 3.808 124.926 121.223 -0.176 0.000 2.280 91 L HA 0.557 4.898 4.340 0.001 0.000 0.287 91 L C -0.449 176.386 176.870 -0.057 0.000 1.023 91 L CA 0.122 54.868 54.840 -0.156 0.000 0.819 91 L CB 0.891 42.916 42.059 -0.057 0.000 1.212 91 L HN 0.803 nan 8.230 nan 0.000 0.420 92 H N 5.479 124.466 119.070 -0.138 0.000 2.623 92 H HA 0.474 5.031 4.556 0.002 0.000 0.299 92 H C -0.787 174.513 175.328 -0.046 0.000 1.052 92 H CA -0.796 55.212 56.048 -0.067 0.000 1.231 92 H CB 0.890 30.679 29.762 0.045 0.000 1.389 92 H HN 0.655 nan 8.280 nan 0.000 0.469 93 I N 5.633 126.289 120.570 0.144 0.000 2.353 93 I HA 0.111 4.282 4.170 0.001 0.000 0.293 93 I C -0.095 175.924 176.117 -0.164 0.000 0.992 93 I CA -0.383 60.916 61.300 -0.001 0.000 1.268 93 I CB 0.717 38.700 38.000 -0.029 0.000 1.387 93 I HN 0.631 nan 8.210 nan 0.000 0.478 94 H N 6.727 125.755 119.070 -0.070 0.000 2.459 94 H HA 0.241 4.798 4.556 0.002 0.000 0.332 94 H C -0.415 174.845 175.328 -0.113 0.000 1.094 94 H CA -0.565 55.453 56.048 -0.050 0.000 1.224 94 H CB 1.607 31.357 29.762 -0.019 0.000 1.449 94 H HN 0.509 nan 8.280 nan 0.000 0.484 95 E N 1.632 121.846 120.200 0.024 0.000 2.240 95 E HA -0.127 4.224 4.350 0.001 0.000 0.194 95 E C -2.280 174.303 176.600 -0.028 0.000 1.385 95 E CA -0.007 56.405 56.400 0.021 0.000 0.686 95 E CB -0.842 28.882 29.700 0.040 0.000 1.125 95 E HN 0.587 nan 8.360 nan 0.000 0.359 96 P HA 0.041 nan 4.420 nan 0.000 0.231 96 P C -0.132 177.249 177.300 0.134 0.000 1.756 96 P CA 0.076 63.173 63.100 -0.004 0.000 0.990 96 P CB -0.610 31.067 31.700 -0.038 0.000 1.973 97 N N 0.868 119.643 118.700 0.125 0.000 2.482 97 N HA 0.339 5.079 4.740 0.001 0.000 0.260 97 N C 0.089 175.666 175.510 0.113 0.000 1.236 97 N CA -0.453 52.699 53.050 0.170 0.000 0.938 97 N CB 0.569 39.153 38.487 0.162 0.000 1.128 97 N HN 0.195 nan 8.380 nan 0.000 0.448 98 A N 1.781 124.679 122.820 0.130 0.000 2.288 98 A HA 0.484 4.805 4.320 0.001 0.000 0.320 98 A C -2.045 175.591 177.584 0.087 0.000 1.217 98 A CA -1.132 50.957 52.037 0.087 0.000 0.840 98 A CB 0.180 19.236 19.000 0.094 0.000 1.179 98 A HN 0.553 nan 8.150 nan 0.000 0.504 99 P HA 0.726 nan 4.420 nan 0.000 0.282 99 P C -0.572 176.775 177.300 0.078 0.000 1.259 99 P CA -0.271 62.869 63.100 0.067 0.000 0.826 99 P CB 1.465 33.210 31.700 0.075 0.000 1.064 100 S N -0.334 115.410 115.700 0.073 0.000 2.633 100 S HA 0.109 4.580 4.470 0.001 0.000 0.271 100 S C 0.569 175.160 174.600 -0.016 0.000 1.112 100 S CA -0.933 57.312 58.200 0.076 0.000 0.828 100 S CB 0.459 63.650 63.200 -0.015 0.000 1.086 100 S HN 0.302 nan 8.310 nan 0.000 0.461 101 L N 1.524 122.687 121.223 -0.100 0.000 2.021 101 L HA -0.138 4.203 4.340 0.001 0.000 0.215 101 L C 2.506 179.200 176.870 -0.294 0.000 1.074 101 L CA 2.411 56.998 54.840 -0.422 0.000 0.760 101 L CB -0.881 40.870 42.059 -0.513 0.000 0.889 101 L HN 0.923 nan 8.230 nan 0.000 0.433 102 S N -0.537 115.033 115.700 -0.217 0.000 2.382 102 S HA -0.248 4.223 4.470 0.001 0.000 0.228 102 S C 1.730 176.251 174.600 -0.132 0.000 1.027 102 S CA 1.846 59.949 58.200 -0.161 0.000 0.991 102 S CB -0.217 62.898 63.200 -0.141 0.000 0.823 102 S HN 0.379 nan 8.310 nan 0.000 0.469 103 M N 1.002 120.526 119.600 -0.125 0.000 2.254 103 M HA 0.129 4.609 4.480 0.001 0.000 0.265 103 M C 1.567 177.761 176.300 -0.176 0.000 1.066 103 M CA 1.148 56.364 55.300 -0.139 0.000 1.123 103 M CB -0.567 31.974 32.600 -0.100 0.000 1.388 103 M HN 0.156 nan 8.290 nan 0.000 0.425 104 L N 0.327 121.452 121.223 -0.164 0.000 2.017 104 L HA -0.066 4.275 4.340 0.001 0.000 0.208 104 L C 2.546 179.341 176.870 -0.125 0.000 1.073 104 L CA 2.200 56.944 54.840 -0.160 0.000 0.745 104 L CB -1.417 40.491 42.059 -0.251 0.000 0.894 104 L HN 0.413 nan 8.230 nan 0.000 0.432 105 A N -1.073 121.677 122.820 -0.116 0.000 1.902 105 A HA -0.217 4.104 4.320 0.001 0.000 0.217 105 A C 2.230 179.809 177.584 -0.008 0.000 1.181 105 A CA 1.892 53.916 52.037 -0.021 0.000 0.623 105 A CB -0.875 18.130 19.000 0.010 0.000 0.818 105 A HN 0.375 nan 8.150 nan 0.000 0.443 106 L N -0.136 121.052 121.223 -0.058 0.000 2.093 106 L HA -0.154 4.187 4.340 0.001 0.000 0.208 106 L C 2.361 179.211 176.870 -0.034 0.000 1.085 106 L CA 2.153 56.968 54.840 -0.042 0.000 0.755 106 L CB -0.636 41.375 42.059 -0.081 0.000 0.904 106 L HN 0.509 nan 8.230 nan 0.000 0.435 107 Q N -0.727 118.972 119.800 -0.168 0.000 2.172 107 Q HA -0.048 4.293 4.340 0.001 0.000 0.200 107 Q C 2.128 178.131 176.000 0.004 0.000 0.964 107 Q CA 1.288 56.972 55.803 -0.199 0.000 0.855 107 Q CB -0.258 28.184 28.738 -0.494 0.000 0.918 107 Q HN 0.665 nan 8.270 nan 0.000 0.444 108 A N 0.780 123.606 122.820 0.009 0.000 2.072 108 A HA 0.303 4.624 4.320 0.001 0.000 0.216 108 A C 1.071 178.695 177.584 0.066 0.000 1.156 108 A CA 0.540 52.609 52.037 0.052 0.000 0.701 108 A CB 0.042 19.079 19.000 0.062 0.000 0.816 108 A HN 0.280 nan 8.150 nan 0.000 0.458 109 A N -0.320 122.541 122.820 0.067 0.000 2.295 109 A HA 0.632 4.953 4.320 0.001 0.000 0.318 109 A C -0.183 177.436 177.584 0.058 0.000 1.134 109 A CA -0.415 51.661 52.037 0.066 0.000 0.827 109 A CB 0.585 19.629 19.000 0.073 0.000 1.136 109 A HN 0.357 nan 8.150 nan 0.000 0.493 110 E N 0.041 120.266 120.200 0.042 0.000 2.293 110 E HA 0.555 4.906 4.350 0.001 0.000 0.270 110 E C 0.215 176.828 176.600 0.021 0.000 0.879 110 E CA 0.295 56.714 56.400 0.032 0.000 0.756 110 E CB 1.985 31.700 29.700 0.025 0.000 1.208 110 E HN 1.473 nan 8.360 nan 0.000 0.428 111 G N 3.476 112.285 108.800 0.016 0.000 2.358 111 G HA2 -0.143 3.818 3.960 0.001 0.000 0.198 111 G HA3 -0.143 3.818 3.960 0.001 0.000 0.198 111 G C -2.544 172.358 174.900 0.003 0.000 1.220 111 G CA -0.761 44.343 45.100 0.007 0.000 1.187 111 G HN 0.479 nan 8.290 nan 0.000 0.544 112 P HA 0.379 nan 4.420 nan 0.000 0.259 112 P C -0.285 176.997 177.300 -0.030 0.000 1.635 112 P CA 0.470 63.559 63.100 -0.017 0.000 1.199 112 P CB -0.641 31.041 31.700 -0.029 0.000 1.850 113 I N 2.599 123.160 120.570 -0.015 0.000 2.377 113 I HA 0.348 4.519 4.170 0.001 0.000 0.293 113 I C 0.178 176.281 176.117 -0.023 0.000 0.987 113 I CA -1.096 60.194 61.300 -0.016 0.000 1.185 113 I CB 2.227 40.232 38.000 0.008 0.000 1.341 113 I HN -0.074 nan 8.210 nan 0.000 0.455 114 V N 4.945 124.824 119.914 -0.059 0.000 2.604 114 V HA 0.787 4.908 4.120 0.001 0.000 0.305 114 V C -0.049 175.990 176.094 -0.092 0.000 1.043 114 V CA -0.516 61.715 62.300 -0.115 0.000 0.888 114 V CB 1.804 33.479 31.823 -0.246 0.000 0.995 114 V HN 0.855 nan 8.190 nan 0.000 0.429 115 A N 2.630 125.405 122.820 -0.075 0.000 2.371 115 A HA 0.827 5.148 4.320 0.001 0.000 0.311 115 A C -0.279 177.198 177.584 -0.178 0.000 1.068 115 A CA -0.530 51.406 52.037 -0.167 0.000 0.744 115 A CB 1.629 20.429 19.000 -0.334 0.000 1.239 115 A HN 0.693 nan 8.150 nan 0.000 0.435 116 T N 2.242 116.650 114.554 -0.242 0.000 2.758 116 T HA 0.512 4.862 4.350 0.001 0.000 0.285 116 T C -0.937 173.561 174.700 -0.337 0.000 0.981 116 T CA 0.224 62.209 62.100 -0.193 0.000 0.965 116 T CB -0.079 68.697 68.868 -0.154 0.000 0.927 116 T HN 0.323 nan 8.240 nan 0.000 0.448 117 F N 3.267 123.239 119.950 0.037 0.000 2.335 117 F HA 0.299 4.827 4.527 0.001 0.000 0.365 117 F C 1.708 177.527 175.800 0.032 0.000 1.122 117 F CA -0.742 57.331 58.000 0.121 0.000 1.151 117 F CB 0.376 39.492 39.000 0.192 0.000 1.282 117 F HN 0.732 nan 8.300 nan 0.000 0.513 118 H N 0.721 119.903 119.070 0.187 0.000 2.470 118 H HA 0.025 4.582 4.556 0.002 0.000 0.289 118 H C 0.714 176.142 175.328 0.167 0.000 1.033 118 H CA 1.186 57.308 56.048 0.123 0.000 1.331 118 H CB 0.478 30.292 29.762 0.087 0.000 1.414 118 H HN 0.463 nan 8.280 nan 0.000 0.545 119 T N -0.621 114.127 114.554 0.323 0.000 2.916 119 T HA 0.581 4.932 4.350 0.001 0.000 0.292 119 T C -0.216 174.629 174.700 0.242 0.000 1.055 119 T CA -0.915 61.337 62.100 0.254 0.000 1.009 119 T CB 2.943 71.950 68.868 0.231 0.000 1.118 119 T HN 0.199 nan 8.240 nan 0.000 0.497 120 S N -0.013 115.808 115.700 0.200 0.000 2.596 120 S HA 0.702 5.173 4.470 0.001 0.000 0.270 120 S C -0.035 174.679 174.600 0.189 0.000 1.155 120 S CA -0.757 57.567 58.200 0.207 0.000 0.827 120 S CB 1.557 64.912 63.200 0.260 0.000 1.130 120 S HN 0.745 nan 8.310 nan 0.000 0.467 121 T N 1.268 115.919 114.554 0.161 0.000 3.397 121 T HA 0.415 4.766 4.350 0.001 0.000 0.233 121 T C 0.361 175.129 174.700 0.112 0.000 0.969 121 T CA 0.937 63.107 62.100 0.117 0.000 1.316 121 T CB -0.305 68.586 68.868 0.038 0.000 1.175 121 T HN 0.999 nan 8.240 nan 0.000 0.381 122 T N -0.167 114.306 114.554 -0.134 0.000 2.916 122 T HA 0.542 4.893 4.350 0.001 0.000 0.292 122 T C 0.674 174.703 174.700 -1.119 0.000 1.055 122 T CA -0.885 60.911 62.100 -0.506 0.000 1.009 122 T CB 2.902 71.582 68.868 -0.314 0.000 1.118 122 T HN 0.083 nan 8.240 nan 0.000 0.497 123 K N 0.757 120.058 120.400 -1.831 0.000 2.020 123 K HA -0.207 4.114 4.320 0.001 0.000 0.212 123 K C 2.406 178.535 176.600 -0.785 0.000 1.050 123 K CA 2.292 57.526 56.287 -1.754 0.000 0.929 123 K CB -0.562 31.150 32.500 -1.313 0.000 0.714 123 K HN 0.719 nan 8.250 nan 0.000 0.443 124 S N 0.463 115.847 115.700 -0.526 0.000 2.356 124 S HA -0.160 4.311 4.470 0.001 0.000 0.223 124 S C 2.409 176.857 174.600 -0.253 0.000 1.032 124 S CA 1.488 59.502 58.200 -0.310 0.000 1.005 124 S CB -1.281 61.788 63.200 -0.217 0.000 0.867 124 S HN 0.317 nan 8.310 nan 0.000 0.449 125 L N 1.092 122.166 121.223 -0.248 0.000 2.622 125 L HA 0.298 4.639 4.340 0.001 0.000 0.233 125 L C 2.504 179.261 176.870 -0.189 0.000 1.156 125 L CA 1.776 56.517 54.840 -0.164 0.000 0.866 125 L CB -1.986 40.007 42.059 -0.109 0.000 0.980 125 L HN 0.626 nan 8.230 nan 0.000 0.448 126 T N -1.188 113.181 114.554 -0.308 0.000 3.046 126 T HA 0.161 4.512 4.350 0.001 0.000 0.242 126 T C 1.940 176.380 174.700 -0.434 0.000 1.018 126 T CA 0.838 62.685 62.100 -0.422 0.000 1.131 126 T CB -0.005 68.606 68.868 -0.428 0.000 0.904 126 T HN 0.528 nan 8.240 nan 0.000 0.459 127 L N 1.884 122.923 121.223 -0.307 0.000 2.046 127 L HA -0.102 4.238 4.340 0.001 0.000 0.208 127 L C 2.895 179.715 176.870 -0.084 0.000 1.077 127 L CA 1.581 56.313 54.840 -0.180 0.000 0.747 127 L CB -0.868 41.099 42.059 -0.154 0.000 0.896 127 L HN 0.369 nan 8.230 nan 0.000 0.432 128 S N -0.539 115.110 115.700 -0.084 0.000 2.362 128 S HA -0.092 4.379 4.470 0.001 0.000 0.221 128 S C 1.962 176.585 174.600 0.039 0.000 1.032 128 S CA 0.894 59.081 58.200 -0.020 0.000 0.973 128 S CB -0.744 62.437 63.200 -0.031 0.000 0.849 128 S HN 0.128 nan 8.310 nan 0.000 0.465 129 V N 1.154 121.093 119.914 0.041 0.000 2.287 129 V HA -0.122 3.999 4.120 0.001 0.000 0.248 129 V C 2.411 178.632 176.094 0.212 0.000 1.053 129 V CA 1.888 64.270 62.300 0.137 0.000 1.027 129 V CB -1.102 30.811 31.823 0.150 0.000 0.646 129 V HN 0.405 nan 8.190 nan 0.000 0.447 130 F N 0.249 120.085 119.950 -0.190 0.000 2.206 130 F HA -0.051 4.476 4.527 0.001 0.000 0.298 130 F C 2.420 178.190 175.800 -0.050 0.000 1.090 130 F CA 1.063 58.911 58.000 -0.253 0.000 1.323 130 F CB -0.681 38.156 39.000 -0.270 0.000 1.028 130 F HN 0.233 nan 8.300 nan 0.000 0.492 131 Q N -0.660 119.234 119.800 0.157 0.000 2.319 131 Q HA 0.199 4.540 4.340 0.001 0.000 0.202 131 Q C 1.448 177.498 176.000 0.083 0.000 0.896 131 Q CA 0.114 55.975 55.803 0.097 0.000 0.942 131 Q CB 0.245 29.017 28.738 0.056 0.000 1.083 131 Q HN 0.319 nan 8.270 nan 0.000 0.510 132 G N 1.052 109.916 108.800 0.108 0.000 2.582 132 G HA2 0.126 4.087 3.960 0.001 0.000 0.232 132 G HA3 0.126 4.087 3.960 0.001 0.000 0.232 132 G C 0.911 175.876 174.900 0.108 0.000 1.458 132 G CA -0.383 44.775 45.100 0.098 0.000 1.062 132 G HN 0.326 nan 8.290 nan 0.000 0.566 133 I N -1.855 118.781 120.570 0.109 0.000 2.756 133 I HA 0.062 4.233 4.170 0.001 0.000 0.262 133 I C 1.588 177.796 176.117 0.151 0.000 1.225 133 I CA 1.099 62.462 61.300 0.106 0.000 1.472 133 I CB -0.227 37.834 38.000 0.101 0.000 1.094 133 I HN 0.133 nan 8.210 nan 0.000 0.454 134 L N 0.563 121.918 121.223 0.221 0.000 2.592 134 L HA 0.186 4.527 4.340 0.001 0.000 0.227 134 L C 2.511 179.556 176.870 0.292 0.000 1.127 134 L CA 0.065 55.093 54.840 0.313 0.000 0.884 134 L CB -0.557 41.697 42.059 0.326 0.000 1.065 134 L HN 0.248 nan 8.230 nan 0.000 0.457 135 R N 1.475 122.098 120.500 0.205 0.000 2.115 135 R HA -0.193 4.148 4.340 0.001 0.000 0.239 135 R C -0.428 175.881 176.300 0.015 0.000 1.133 135 R CA 2.198 58.378 56.100 0.134 0.000 0.935 135 R CB -1.180 29.165 30.300 0.076 0.000 0.853 135 R HN 0.193 nan 8.270 nan 0.000 0.433 136 P HA -0.216 nan 4.420 nan 0.000 0.220 136 P C 0.830 177.928 177.300 -0.337 0.000 1.155 136 P CA 1.809 64.729 63.100 -0.300 0.000 0.880 136 P CB -0.294 31.075 31.700 -0.552 0.000 0.790 137 Y N -2.090 118.184 120.300 -0.043 0.000 2.286 137 Y HA -0.104 4.447 4.550 0.002 0.000 0.293 137 Y C 2.979 178.786 175.900 -0.156 0.000 1.124 137 Y CA 0.922 58.954 58.100 -0.113 0.000 1.178 137 Y CB -0.957 37.397 38.460 -0.178 0.000 1.010 137 Y HN 0.126 nan 8.280 nan 0.000 0.536 138 H N 0.428 119.534 119.070 0.060 0.000 2.395 138 H HA -0.090 4.467 4.556 0.001 0.000 0.299 138 H C 1.667 176.948 175.328 -0.079 0.000 1.070 138 H CA 1.373 57.372 56.048 -0.080 0.000 1.356 138 H CB -0.029 29.543 29.762 -0.316 0.000 1.401 138 H HN 0.519 nan 8.280 nan 0.000 0.524 139 E N 1.036 121.265 120.200 0.049 0.000 2.267 139 E HA -0.159 4.192 4.350 0.001 0.000 0.197 139 E C 1.730 178.342 176.600 0.019 0.000 0.998 139 E CA 0.674 57.086 56.400 0.020 0.000 0.830 139 E CB -0.021 29.679 29.700 -0.001 0.000 0.751 139 E HN 0.460 nan 8.360 nan 0.000 0.491 140 K N 0.475 120.889 120.400 0.024 0.000 2.365 140 K HA 0.026 4.347 4.320 0.001 0.000 0.199 140 K C 0.681 177.304 176.600 0.037 0.000 1.045 140 K CA 0.284 56.589 56.287 0.031 0.000 0.962 140 K CB 0.098 32.628 32.500 0.050 0.000 0.759 140 K HN 0.078 nan 8.250 nan 0.000 0.469 141 I N 1.804 122.404 120.570 0.050 0.000 2.505 141 I HA -0.040 4.131 4.170 0.001 0.000 0.287 141 I C 1.142 177.292 176.117 0.055 0.000 1.104 141 I CA 0.132 61.468 61.300 0.061 0.000 1.387 141 I CB 0.601 38.670 38.000 0.116 0.000 1.404 141 I HN 0.066 nan 8.210 nan 0.000 0.528 142 I N 4.789 125.382 120.570 0.039 0.000 2.703 142 I HA 0.096 4.267 4.170 0.001 0.000 0.259 142 I C 1.341 177.482 176.117 0.039 0.000 1.151 142 I CA 0.308 61.628 61.300 0.033 0.000 1.470 142 I CB 0.006 38.018 38.000 0.020 0.000 1.112 142 I HN 0.639 nan 8.210 nan 0.000 0.437 143 G N 1.853 110.675 108.800 0.036 0.000 2.557 143 G HA2 0.586 4.547 3.960 0.001 0.000 0.310 143 G HA3 0.586 4.547 3.960 0.001 0.000 0.310 143 G C -0.662 174.276 174.900 0.063 0.000 1.328 143 G CA -0.403 44.718 45.100 0.035 0.000 0.945 143 G HN 0.013 nan 8.290 nan 0.000 0.494 144 R N 2.371 122.936 120.500 0.109 0.000 2.439 144 R HA 0.439 4.780 4.340 0.001 0.000 0.310 144 R C -0.797 175.618 176.300 0.192 0.000 0.955 144 R CA -0.635 55.600 56.100 0.225 0.000 0.853 144 R CB 2.051 32.511 30.300 0.266 0.000 1.171 144 R HN 0.444 nan 8.270 nan 0.000 0.449 145 I N 2.402 123.109 120.570 0.228 0.000 2.378 145 I HA 0.436 4.607 4.170 0.001 0.000 0.291 145 I C -0.061 176.194 176.117 0.230 0.000 0.992 145 I CA -0.591 60.799 61.300 0.149 0.000 1.154 145 I CB 1.995 40.034 38.000 0.066 0.000 1.315 145 I HN 0.558 nan 8.210 nan 0.000 0.448 146 A N 4.876 127.781 122.820 0.142 0.000 2.340 146 A HA 0.596 4.917 4.320 0.001 0.000 0.331 146 A C 0.637 178.239 177.584 0.029 0.000 1.140 146 A CA -0.561 51.546 52.037 0.116 0.000 0.801 146 A CB 1.557 20.591 19.000 0.057 0.000 1.234 146 A HN 0.719 nan 8.150 nan 0.000 0.469 147 V N -0.269 119.654 119.914 0.014 0.000 3.623 147 V HA 0.275 4.396 4.120 0.001 0.000 0.271 147 V C 0.554 176.712 176.094 0.106 0.000 1.248 147 V CA 1.131 63.432 62.300 0.001 0.000 1.156 147 V CB -1.387 30.397 31.823 -0.064 0.000 0.870 147 V HN 1.146 nan 8.190 nan 0.000 0.453 148 S N -1.745 113.978 115.700 0.039 0.000 2.588 148 S HA 0.486 4.956 4.470 0.001 0.000 0.275 148 S C 0.177 174.723 174.600 -0.091 0.000 1.130 148 S CA 0.107 58.305 58.200 -0.003 0.000 0.855 148 S CB 1.822 64.995 63.200 -0.045 0.000 1.116 148 S HN 0.145 nan 8.310 nan 0.000 0.472 149 D N -0.040 120.300 120.400 -0.100 0.000 2.144 149 D HA -0.072 4.569 4.640 0.001 0.000 0.199 149 D C 1.617 177.764 176.300 -0.255 0.000 0.984 149 D CA 1.182 55.102 54.000 -0.134 0.000 0.834 149 D CB -0.083 40.660 40.800 -0.095 0.000 0.955 149 D HN 0.413 nan 8.370 nan 0.000 0.465 150 L N 0.267 121.263 121.223 -0.378 0.000 2.044 150 L HA 0.104 4.445 4.340 0.001 0.000 0.205 150 L C 2.154 178.352 176.870 -1.120 0.000 1.075 150 L CA 1.850 56.270 54.840 -0.700 0.000 0.747 150 L CB -1.025 40.621 42.059 -0.689 0.000 0.903 150 L HN 0.045 nan 8.230 nan 0.000 0.435 151 A N -0.096 122.225 122.820 -0.831 0.000 1.917 151 A HA -0.285 4.036 4.320 0.001 0.000 0.219 151 A C 2.549 179.973 177.584 -0.266 0.000 1.182 151 A CA 2.040 53.767 52.037 -0.517 0.000 0.633 151 A CB -0.745 18.134 19.000 -0.201 0.000 0.819 151 A HN 0.542 nan 8.150 nan 0.000 0.448 152 R N -0.474 119.898 120.500 -0.212 0.000 2.073 152 R HA -0.115 4.226 4.340 0.001 0.000 0.234 152 R C 2.284 178.530 176.300 -0.090 0.000 1.134 152 R CA 1.616 57.655 56.100 -0.101 0.000 0.952 152 R CB -0.376 29.882 30.300 -0.069 0.000 0.850 152 R HN 0.497 nan 8.270 nan 0.000 0.433 153 R N -0.538 119.870 120.500 -0.154 0.000 2.127 153 R HA -0.149 4.192 4.340 0.001 0.000 0.238 153 R C 2.063 178.394 176.300 0.052 0.000 1.134 153 R CA 1.776 57.830 56.100 -0.077 0.000 0.975 153 R CB -0.205 30.022 30.300 -0.121 0.000 0.865 153 R HN 0.374 nan 8.270 nan 0.000 0.447 154 W N 1.046 122.283 121.300 -0.104 0.000 2.381 154 W HA -0.087 4.573 4.660 0.001 0.000 0.301 154 W C 2.023 178.409 176.519 -0.221 0.000 1.205 154 W CA 0.536 57.784 57.345 -0.162 0.000 1.285 154 W CB -0.912 28.428 29.460 -0.200 0.000 1.133 154 W HN 0.228 nan 8.180 nan 0.000 0.521 155 Q N -0.463 119.328 119.800 -0.016 0.000 2.084 155 Q HA -0.177 4.164 4.340 0.001 0.000 0.202 155 Q C 2.290 178.325 176.000 0.058 0.000 0.978 155 Q CA 1.700 57.459 55.803 -0.073 0.000 0.844 155 Q CB -0.491 28.229 28.738 -0.030 0.000 0.898 155 Q HN 0.274 nan 8.270 nan 0.000 0.426 156 M N 0.033 119.663 119.600 0.049 0.000 2.117 156 M HA -0.199 4.281 4.480 0.001 0.000 0.262 156 M C 1.993 178.324 176.300 0.052 0.000 1.065 156 M CA 1.393 56.725 55.300 0.052 0.000 1.114 156 M CB -0.279 32.342 32.600 0.035 0.000 1.361 156 M HN 0.164 nan 8.290 nan 0.000 0.408 157 E N 0.392 120.626 120.200 0.057 0.000 2.118 157 E HA -0.177 4.174 4.350 0.001 0.000 0.195 157 E C 1.914 178.530 176.600 0.027 0.000 0.992 157 E CA 1.500 57.927 56.400 0.046 0.000 0.804 157 E CB 0.041 29.780 29.700 0.065 0.000 0.741 157 E HN 0.482 nan 8.360 nan 0.000 0.458 158 A N 0.064 122.899 122.820 0.024 0.000 1.840 158 A HA -0.057 4.264 4.320 0.001 0.000 0.214 158 A C 1.920 179.554 177.584 0.082 0.000 1.198 158 A CA 1.010 53.067 52.037 0.034 0.000 0.608 158 A CB -0.184 18.822 19.000 0.010 0.000 0.839 158 A HN 0.279 nan 8.150 nan 0.000 0.443 159 L N -1.600 119.693 121.223 0.116 0.000 2.766 159 L HA 0.262 4.602 4.340 0.001 0.000 0.242 159 L C 1.463 178.372 176.870 0.066 0.000 1.136 159 L CA 0.460 55.361 54.840 0.102 0.000 0.933 159 L CB 0.236 42.373 42.059 0.129 0.000 1.241 159 L HN 0.627 nan 8.230 nan 0.000 0.522 160 G N 1.265 110.099 108.800 0.057 0.000 2.168 160 G HA2 -0.300 3.661 3.960 0.001 0.000 0.257 160 G HA3 -0.300 3.661 3.960 0.001 0.000 0.257 160 G C 0.233 175.157 174.900 0.040 0.000 0.997 160 G CA 0.639 45.764 45.100 0.042 0.000 0.708 160 G HN 0.499 nan 8.290 nan 0.000 0.520 161 S N -1.298 114.432 115.700 0.050 0.000 2.599 161 S HA 0.619 5.090 4.470 0.001 0.000 0.287 161 S C -0.829 173.800 174.600 0.049 0.000 1.105 161 S CA -0.768 57.459 58.200 0.045 0.000 0.899 161 S CB 2.269 65.496 63.200 0.045 0.000 1.100 161 S HN 0.032 nan 8.310 nan 0.000 0.482 162 D N 1.484 121.908 120.400 0.041 0.000 2.412 162 D HA 0.529 5.170 4.640 0.001 0.000 0.257 162 D C 0.234 176.564 176.300 0.050 0.000 1.217 162 D CA 0.753 54.776 54.000 0.038 0.000 0.897 162 D CB 0.684 41.501 40.800 0.028 0.000 1.132 162 D HN 0.836 nan 8.370 nan 0.000 0.493 163 A N 2.476 125.326 122.820 0.050 0.000 2.288 163 A HA 0.761 5.082 4.320 0.001 0.000 0.328 163 A C -0.868 176.740 177.584 0.039 0.000 1.123 163 A CA -0.687 51.387 52.037 0.062 0.000 0.861 163 A CB 1.698 20.741 19.000 0.071 0.000 1.272 163 A HN 0.422 nan 8.150 nan 0.000 0.490 164 V N 0.019 119.960 119.914 0.044 0.000 2.841 164 V HA 0.475 4.596 4.120 0.001 0.000 0.310 164 V C -0.603 175.504 176.094 0.022 0.000 1.090 164 V CA -0.589 61.725 62.300 0.023 0.000 0.930 164 V CB 1.747 33.579 31.823 0.015 0.000 1.014 164 V HN 1.013 nan 8.190 nan 0.000 0.425 165 E N 5.895 126.099 120.200 0.007 0.000 2.200 165 E HA 0.562 4.913 4.350 0.001 0.000 0.283 165 E C -1.400 175.205 176.600 0.008 0.000 1.015 165 E CA -0.432 55.971 56.400 0.006 0.000 0.819 165 E CB 1.121 30.819 29.700 -0.004 0.000 1.081 165 E HN 0.660 nan 8.360 nan 0.000 0.397 166 I N 6.738 127.310 120.570 0.005 0.000 2.534 166 I HA 0.273 4.443 4.170 0.001 0.000 0.286 166 I C -2.313 173.784 176.117 -0.034 0.000 1.094 166 I CA -2.249 59.050 61.300 -0.000 0.000 1.055 166 I CB 2.140 40.147 38.000 0.011 0.000 1.225 166 I HN 0.427 nan 8.210 nan 0.000 0.435 167 P HA 0.113 nan 4.420 nan 0.000 0.272 167 P C -0.843 176.275 177.300 -0.302 0.000 1.230 167 P CA -0.159 62.880 63.100 -0.102 0.000 0.788 167 P CB 0.595 32.475 31.700 0.299 0.000 0.949 168 N N -0.622 117.599 118.700 -0.799 0.000 2.508 168 N HA 0.321 5.062 4.740 0.001 0.000 0.264 168 N C 0.725 175.986 175.510 -0.415 0.000 1.216 168 N CA -0.149 52.631 53.050 -0.451 0.000 0.943 168 N CB 0.376 38.566 38.487 -0.494 0.000 1.113 168 N HN 0.494 nan 8.380 nan 0.000 0.447 169 G N -0.204 108.121 108.800 -0.792 0.000 2.491 169 G HA2 0.585 4.546 3.960 0.001 0.000 0.327 169 G HA3 0.585 4.546 3.960 0.001 0.000 0.327 169 G C -0.457 173.773 174.900 -1.117 0.000 1.189 169 G CA -0.517 43.824 45.100 -1.265 0.000 0.956 169 G HN 0.437 nan 8.290 nan 0.000 0.491 170 V N -2.543 116.886 119.914 -0.810 0.000 3.141 170 V HA 0.648 4.769 4.120 0.001 0.000 0.312 170 V C -1.106 174.956 176.094 -0.053 0.000 1.157 170 V CA -1.187 60.937 62.300 -0.294 0.000 1.041 170 V CB 2.185 33.962 31.823 -0.078 0.000 1.071 170 V HN 0.531 nan 8.190 nan 0.000 0.441 171 D N 0.787 121.426 120.400 0.397 0.000 2.468 171 D HA 0.324 4.964 4.640 0.001 0.000 0.218 171 D C 1.009 177.524 176.300 0.358 0.000 1.155 171 D CA 0.045 54.295 54.000 0.416 0.000 0.924 171 D CB 1.099 42.126 40.800 0.378 0.000 1.029 171 D HN 0.391 nan 8.370 nan 0.000 0.515 172 V N 3.827 123.903 119.914 0.269 0.000 2.380 172 V HA -0.285 3.836 4.120 0.001 0.000 0.251 172 V C 2.417 178.670 176.094 0.265 0.000 1.063 172 V CA 2.257 64.711 62.300 0.257 0.000 1.055 172 V CB -0.591 31.360 31.823 0.213 0.000 0.657 172 V HN 0.666 nan 8.190 nan 0.000 0.455 173 A N -0.443 122.497 122.820 0.200 0.000 2.067 173 A HA -0.134 4.187 4.320 0.001 0.000 0.219 173 A C 2.347 179.978 177.584 0.078 0.000 1.158 173 A CA 1.757 53.874 52.037 0.134 0.000 0.661 173 A CB -0.422 18.639 19.000 0.101 0.000 0.801 173 A HN 0.564 nan 8.150 nan 0.000 0.452 174 S N -0.887 114.839 115.700 0.043 0.000 2.489 174 S HA 0.055 4.525 4.470 0.001 0.000 0.228 174 S C 1.272 175.646 174.600 -0.377 0.000 0.995 174 S CA 0.816 58.915 58.200 -0.169 0.000 0.934 174 S CB -0.384 62.658 63.200 -0.263 0.000 0.771 174 S HN 0.579 nan 8.310 nan 0.000 0.522 175 F N 1.726 121.687 119.950 0.018 0.000 2.243 175 F HA 0.311 4.839 4.527 0.002 0.000 0.287 175 F C 2.620 178.419 175.800 -0.002 0.000 1.067 175 F CA 0.450 58.446 58.000 -0.007 0.000 1.304 175 F CB -0.929 38.055 39.000 -0.026 0.000 1.087 175 F HN 0.136 nan 8.300 nan 0.000 0.513 176 A N -0.237 122.700 122.820 0.196 0.000 1.978 176 A HA -0.179 4.141 4.320 0.001 0.000 0.220 176 A C 1.312 178.938 177.584 0.071 0.000 1.170 176 A CA 2.209 54.317 52.037 0.119 0.000 0.636 176 A CB -0.670 18.402 19.000 0.120 0.000 0.810 176 A HN 0.355 nan 8.150 nan 0.000 0.448 177 D N -0.671 119.756 120.400 0.045 0.000 2.440 177 D HA 0.371 5.012 4.640 0.001 0.000 0.216 177 D C 0.488 176.784 176.300 -0.008 0.000 1.150 177 D CA 0.492 54.504 54.000 0.020 0.000 0.832 177 D CB -0.010 40.801 40.800 0.018 0.000 0.992 177 D HN 0.411 nan 8.370 nan 0.000 0.502 178 A N 2.847 125.652 122.820 -0.025 0.000 2.540 178 A HA 0.267 4.588 4.320 0.001 0.000 0.239 178 A C -2.027 175.545 177.584 -0.020 0.000 1.061 178 A CA -0.597 51.409 52.037 -0.050 0.000 0.758 178 A CB -0.120 18.837 19.000 -0.072 0.000 0.991 178 A HN -0.051 nan 8.150 nan 0.000 0.502 179 P HA 0.230 nan 4.420 nan 0.000 0.276 179 P C -0.579 176.721 177.300 -0.001 0.000 1.230 179 P CA -0.447 62.651 63.100 -0.004 0.000 0.776 179 P CB 0.509 32.207 31.700 -0.004 0.000 0.888 180 L N 3.276 124.509 121.223 0.017 0.000 2.559 180 L HA -0.032 4.308 4.340 0.001 0.000 0.282 180 L C 1.048 177.941 176.870 0.040 0.000 1.232 180 L CA 0.548 55.406 54.840 0.030 0.000 0.885 180 L CB -0.704 41.396 42.059 0.069 0.000 1.131 180 L HN 0.296 nan 8.230 nan 0.000 0.498 181 L N 2.283 123.510 121.223 0.006 0.000 2.483 181 L HA -0.022 4.318 4.340 0.001 0.000 0.276 181 L C 0.492 177.515 176.870 0.254 0.000 1.213 181 L CA -0.047 54.826 54.840 0.055 0.000 0.843 181 L CB 0.066 42.050 42.059 -0.125 0.000 1.107 181 L HN 0.593 nan 8.230 nan 0.000 0.487 182 D N 1.227 121.752 120.400 0.209 0.000 2.417 182 D HA 0.340 4.981 4.640 0.001 0.000 0.250 182 D C 0.769 177.175 176.300 0.178 0.000 1.166 182 D CA 1.475 55.576 54.000 0.168 0.000 0.881 182 D CB 0.592 41.450 40.800 0.096 0.000 1.164 182 D HN 0.719 nan 8.370 nan 0.000 0.467 183 G N 2.251 111.079 108.800 0.047 0.000 2.130 183 G HA2 -0.235 3.726 3.960 0.001 0.000 0.216 183 G HA3 -0.235 3.726 3.960 0.001 0.000 0.216 183 G C -0.608 174.036 174.900 -0.428 0.000 0.999 183 G CA -0.291 44.706 45.100 -0.172 0.000 0.686 183 G HN 0.469 nan 8.290 nan 0.000 0.515 184 Y N -0.018 120.287 120.300 0.009 0.000 2.524 184 Y HA 0.610 5.161 4.550 0.002 0.000 0.347 184 Y C -1.877 174.028 175.900 0.007 0.000 1.005 184 Y CA -1.950 56.155 58.100 0.008 0.000 1.025 184 Y CB 2.033 40.499 38.460 0.009 0.000 1.275 184 Y HN 0.059 nan 8.280 nan 0.000 0.460 185 P HA 0.297 nan 4.420 nan 0.000 0.274 185 P C -0.886 176.428 177.300 0.024 0.000 1.246 185 P CA -0.460 62.754 63.100 0.189 0.000 0.795 185 P CB 1.153 32.924 31.700 0.117 0.000 1.006 186 R N -0.200 120.295 120.500 -0.008 0.000 2.500 186 R HA 0.374 4.715 4.340 0.001 0.000 0.277 186 R C 1.667 177.951 176.300 -0.027 0.000 1.026 186 R CA -0.151 55.890 56.100 -0.098 0.000 1.058 186 R CB 0.375 30.592 30.300 -0.138 0.000 1.078 186 R HN 0.605 nan 8.270 nan 0.000 0.509 187 E N 1.182 121.366 120.200 -0.025 0.000 2.122 187 E HA -0.044 4.307 4.350 0.001 0.000 0.190 187 E C 1.822 178.441 176.600 0.032 0.000 0.977 187 E CA 1.015 57.420 56.400 0.007 0.000 0.820 187 E CB -0.608 29.098 29.700 0.011 0.000 0.770 187 E HN 0.849 nan 8.360 nan 0.000 0.462 188 G N 0.011 108.832 108.800 0.035 0.000 2.535 188 G HA2 -0.063 3.898 3.960 0.001 0.000 0.218 188 G HA3 -0.063 3.898 3.960 0.001 0.000 0.218 188 G C 0.559 175.474 174.900 0.024 0.000 1.122 188 G CA 0.497 45.642 45.100 0.076 0.000 0.769 188 G HN 0.423 nan 8.290 nan 0.000 0.549 189 R N -1.769 118.713 120.500 -0.031 0.000 0.959 189 R HA -0.118 4.223 4.340 0.001 0.000 0.432 189 R C -1.031 175.244 176.300 -0.041 0.000 1.366 189 R CA 0.874 56.917 56.100 -0.094 0.000 1.194 189 R CB -2.148 27.965 30.300 -0.312 0.000 3.435 189 R HN 0.266 nan 8.270 nan 0.000 0.516 190 T N 0.561 115.110 114.554 -0.009 0.000 2.841 190 T HA 0.542 4.893 4.350 0.001 0.000 0.283 190 T C -0.160 174.530 174.700 -0.017 0.000 1.000 190 T CA -0.725 61.395 62.100 0.033 0.000 0.977 190 T CB 2.277 71.227 68.868 0.137 0.000 0.979 190 T HN 0.519 nan 8.240 nan 0.000 0.446 191 V N 4.147 124.048 119.914 -0.021 0.000 2.398 191 V HA 0.749 4.869 4.120 0.001 0.000 0.286 191 V C -0.685 175.418 176.094 0.015 0.000 1.026 191 V CA -0.959 61.329 62.300 -0.020 0.000 0.868 191 V CB 1.112 32.906 31.823 -0.048 0.000 0.982 191 V HN 0.775 nan 8.190 nan 0.000 0.443 192 L N 7.197 128.451 121.223 0.052 0.000 2.292 192 L HA 0.597 4.938 4.340 0.001 0.000 0.284 192 L C -0.763 176.210 176.870 0.173 0.000 1.065 192 L CA 0.026 54.939 54.840 0.123 0.000 0.806 192 L CB 1.065 43.224 42.059 0.168 0.000 1.175 192 L HN 0.773 nan 8.230 nan 0.000 0.431 193 F N 6.771 126.737 119.950 0.027 0.000 2.482 193 F HA 0.629 5.157 4.527 0.002 0.000 0.331 193 F C -1.409 174.483 175.800 0.153 0.000 1.115 193 F CA -0.932 57.092 58.000 0.040 0.000 0.955 193 F CB 1.486 40.455 39.000 -0.052 0.000 1.136 193 F HN 0.433 nan 8.300 nan 0.000 0.452 194 L N 6.541 127.653 121.223 -0.184 0.000 2.381 194 L HA 0.970 5.311 4.340 0.001 0.000 0.274 194 L C -0.562 176.191 176.870 -0.195 0.000 0.988 194 L CA -0.280 54.549 54.840 -0.019 0.000 0.824 194 L CB 0.763 42.858 42.059 0.059 0.000 1.263 194 L HN 0.924 nan 8.230 nan 0.000 0.410 195 G N 2.181 111.062 108.800 0.135 0.000 2.369 195 G HA2 0.465 4.425 3.960 0.001 0.000 0.307 195 G HA3 0.465 4.425 3.960 0.001 0.000 0.307 195 G C -0.968 174.161 174.900 0.382 0.000 1.327 195 G CA -0.412 44.797 45.100 0.181 0.000 0.963 195 G HN 0.946 nan 8.290 nan 0.000 0.590 196 R N -0.382 120.243 120.500 0.208 0.000 2.853 196 R HA 0.480 4.821 4.340 0.001 0.000 0.238 196 R C 1.266 177.640 176.300 0.123 0.000 1.538 196 R CA 0.795 56.941 56.100 0.076 0.000 1.166 196 R CB -1.648 28.653 30.300 0.001 0.000 1.201 196 R HN 1.563 nan 8.270 nan 0.000 0.606 197 Y N -0.399 120.047 120.300 0.243 0.000 2.556 197 Y HA -0.111 4.440 4.550 0.001 0.000 0.290 197 Y C 0.521 176.439 175.900 0.030 0.000 1.149 197 Y CA 0.797 58.963 58.100 0.109 0.000 1.329 197 Y CB 0.067 38.428 38.460 -0.166 0.000 0.975 197 Y HN 0.593 nan 8.280 nan 0.000 0.561 198 D N 0.022 120.364 120.400 -0.097 0.000 2.402 198 D HA 0.169 4.810 4.640 0.001 0.000 0.216 198 D C 0.400 176.688 176.300 -0.020 0.000 1.128 198 D CA 0.505 54.479 54.000 -0.043 0.000 0.833 198 D CB -0.567 40.176 40.800 -0.096 0.000 0.971 198 D HN 0.521 nan 8.370 nan 0.000 0.503 199 E N 2.230 122.431 120.200 0.003 0.000 2.152 199 E HA 0.255 4.606 4.350 0.001 0.000 0.285 199 E C -1.651 174.972 176.600 0.038 0.000 1.043 199 E CA -1.911 54.499 56.400 0.017 0.000 0.839 199 E CB 0.457 30.169 29.700 0.019 0.000 1.069 199 E HN -0.023 nan 8.360 nan 0.000 0.399 200 P HA -0.318 nan 4.420 nan 0.000 0.218 200 P C 1.774 179.097 177.300 0.040 0.000 1.150 200 P CA 2.165 65.285 63.100 0.033 0.000 0.841 200 P CB 0.021 31.735 31.700 0.023 0.000 0.784 201 R N 1.040 121.564 120.500 0.040 0.000 2.200 201 R HA -0.119 4.222 4.340 0.001 0.000 0.234 201 R C 2.063 178.388 176.300 0.043 0.000 1.127 201 R CA 1.423 57.552 56.100 0.048 0.000 0.989 201 R CB -1.533 28.799 30.300 0.054 0.000 0.869 201 R HN 0.295 nan 8.270 nan 0.000 0.459 202 K N -0.842 119.568 120.400 0.016 0.000 2.487 202 K HA 0.066 4.387 4.320 0.001 0.000 0.192 202 K C 1.114 177.697 176.600 -0.029 0.000 1.027 202 K CA 0.634 56.846 56.287 -0.126 0.000 1.054 202 K CB 0.123 32.644 32.500 0.035 0.000 0.824 202 K HN 0.619 nan 8.250 nan 0.000 0.510 203 G N 2.398 111.236 108.800 0.063 0.000 2.221 203 G HA2 -0.319 3.642 3.960 0.001 0.000 0.265 203 G HA3 -0.319 3.642 3.960 0.001 0.000 0.265 203 G C 0.703 175.670 174.900 0.111 0.000 1.041 203 G CA 0.742 45.895 45.100 0.088 0.000 0.807 203 G HN 0.291 nan 8.290 nan 0.000 0.502 204 M N 0.723 120.361 119.600 0.064 0.000 2.117 204 M HA 0.245 4.726 4.480 0.001 0.000 0.262 204 M C 2.639 178.896 176.300 -0.073 0.000 1.065 204 M CA 2.724 57.947 55.300 -0.127 0.000 1.114 204 M CB -0.708 31.751 32.600 -0.235 0.000 1.361 204 M HN 0.975 nan 8.290 nan 0.000 0.408 205 A N -0.880 121.929 122.820 -0.019 0.000 1.997 205 A HA -0.148 4.173 4.320 0.001 0.000 0.221 205 A C 2.150 179.731 177.584 -0.006 0.000 1.172 205 A CA 2.177 54.209 52.037 -0.009 0.000 0.645 205 A CB -1.287 17.716 19.000 0.006 0.000 0.813 205 A HN 0.430 nan 8.150 nan 0.000 0.454 206 V N -0.747 119.171 119.914 0.007 0.000 2.346 206 V HA -0.156 3.965 4.120 0.001 0.000 0.244 206 V C 2.395 178.491 176.094 0.002 0.000 1.037 206 V CA 1.621 63.928 62.300 0.013 0.000 1.029 206 V CB -0.745 31.097 31.823 0.032 0.000 0.663 206 V HN 0.575 nan 8.190 nan 0.000 0.454 207 L N -0.248 120.975 121.223 -0.001 0.000 2.042 207 L HA -0.139 4.202 4.340 0.001 0.000 0.210 207 L C 2.184 179.026 176.870 -0.046 0.000 1.076 207 L CA 1.850 56.678 54.840 -0.020 0.000 0.749 207 L CB -0.743 41.306 42.059 -0.017 0.000 0.893 207 L HN 0.195 nan 8.230 nan 0.000 0.432 208 L N -0.025 121.162 121.223 -0.061 0.000 2.042 208 L HA -0.126 4.215 4.340 0.001 0.000 0.210 208 L C 2.529 179.383 176.870 -0.027 0.000 1.076 208 L CA 2.080 56.888 54.840 -0.052 0.000 0.749 208 L CB -1.181 40.848 42.059 -0.051 0.000 0.893 208 L HN 0.359 nan 8.230 nan 0.000 0.432 209 A N -1.554 121.256 122.820 -0.018 0.000 2.121 209 A HA 0.094 4.415 4.320 0.001 0.000 0.218 209 A C 2.198 179.777 177.584 -0.009 0.000 1.154 209 A CA 1.285 53.317 52.037 -0.009 0.000 0.679 209 A CB -0.644 18.354 19.000 -0.003 0.000 0.795 209 A HN 0.427 nan 8.150 nan 0.000 0.458 210 A N -1.307 121.505 122.820 -0.012 0.000 2.220 210 A HA 0.364 4.685 4.320 0.001 0.000 0.211 210 A C 1.751 179.325 177.584 -0.016 0.000 1.176 210 A CA 0.540 52.571 52.037 -0.010 0.000 0.834 210 A CB -0.306 18.690 19.000 -0.006 0.000 0.868 210 A HN 0.399 nan 8.150 nan 0.000 0.488 211 L N 0.782 121.990 121.223 -0.026 0.000 2.012 211 L HA -0.070 4.271 4.340 0.001 0.000 0.210 211 L C -0.783 176.062 176.870 -0.041 0.000 1.073 211 L CA 2.473 57.290 54.840 -0.038 0.000 0.748 211 L CB -0.967 41.069 42.059 -0.037 0.000 0.891 211 L HN 0.168 nan 8.230 nan 0.000 0.431 212 P HA -0.188 nan 4.420 nan 0.000 0.215 212 P C 1.626 178.911 177.300 -0.025 0.000 1.157 212 P CA 2.635 65.723 63.100 -0.021 0.000 0.868 212 P CB -0.157 31.538 31.700 -0.009 0.000 0.788 213 K N 0.092 120.482 120.400 -0.017 0.000 2.057 213 K HA -0.131 4.190 4.320 0.001 0.000 0.207 213 K C 2.160 178.754 176.600 -0.010 0.000 1.049 213 K CA 1.668 57.946 56.287 -0.014 0.000 0.931 213 K CB -1.808 30.689 32.500 -0.005 0.000 0.714 213 K HN 0.108 nan 8.250 nan 0.000 0.440 214 L N 0.300 121.523 121.223 0.001 0.000 2.017 214 L HA -0.172 4.169 4.340 0.001 0.000 0.208 214 L C 2.594 179.474 176.870 0.017 0.000 1.073 214 L CA 1.219 56.083 54.840 0.041 0.000 0.745 214 L CB -0.235 41.837 42.059 0.021 0.000 0.894 214 L HN 0.262 nan 8.230 nan 0.000 0.432 215 V N -0.303 119.568 119.914 -0.070 0.000 2.515 215 V HA -0.213 3.908 4.120 0.001 0.000 0.250 215 V C 2.520 178.563 176.094 -0.085 0.000 1.058 215 V CA 1.502 63.715 62.300 -0.145 0.000 1.064 215 V CB -0.620 31.054 31.823 -0.250 0.000 0.675 215 V HN 0.492 nan 8.190 nan 0.000 0.461 216 A N -0.180 122.602 122.820 -0.065 0.000 2.172 216 A HA -0.141 4.180 4.320 0.001 0.000 0.216 216 A C 2.253 179.770 177.584 -0.113 0.000 1.154 216 A CA 1.732 53.729 52.037 -0.066 0.000 0.701 216 A CB -0.300 18.670 19.000 -0.049 0.000 0.789 216 A HN 0.478 nan 8.150 nan 0.000 0.465 217 R N -1.714 118.694 120.500 -0.153 0.000 2.164 217 R HA 0.279 4.619 4.340 0.001 0.000 0.198 217 R C -0.615 175.327 176.300 -0.596 0.000 1.028 217 R CA 0.575 56.462 56.100 -0.354 0.000 1.083 217 R CB -0.051 30.022 30.300 -0.378 0.000 1.026 217 R HN 0.274 nan 8.270 nan 0.000 0.514 218 F N 1.734 121.655 119.950 -0.048 0.000 2.334 218 F HA 0.420 4.948 4.527 0.002 0.000 0.343 218 F C -1.743 174.018 175.800 -0.065 0.000 1.136 218 F CA -2.388 55.585 58.000 -0.045 0.000 1.237 218 F CB 1.905 40.880 39.000 -0.041 0.000 1.525 218 F HN 0.033 nan 8.300 nan 0.000 0.528 219 P HA -0.147 nan 4.420 nan 0.000 0.236 219 P C 0.715 178.090 177.300 0.125 0.000 1.172 219 P CA 1.182 64.305 63.100 0.037 0.000 0.759 219 P CB 0.251 31.971 31.700 0.033 0.000 0.843 220 D N -0.386 120.097 120.400 0.138 0.000 2.571 220 D HA 0.048 4.689 4.640 0.001 0.000 0.239 220 D C -0.097 176.295 176.300 0.152 0.000 1.267 220 D CA -0.085 54.017 54.000 0.171 0.000 0.823 220 D CB 0.706 41.576 40.800 0.116 0.000 1.056 220 D HN -0.154 nan 8.370 nan 0.000 0.494 221 V N 0.700 120.669 119.914 0.093 0.000 2.928 221 V HA 0.056 4.177 4.120 0.001 0.000 0.307 221 V C 0.514 176.681 176.094 0.122 0.000 1.105 221 V CA 0.054 62.381 62.300 0.046 0.000 1.223 221 V CB 0.610 32.407 31.823 -0.044 0.000 0.930 221 V HN 0.132 nan 8.190 nan 0.000 0.499 222 E N 2.883 123.131 120.200 0.079 0.000 2.199 222 E HA 0.482 4.833 4.350 0.001 0.000 0.269 222 E C -1.356 175.257 176.600 0.023 0.000 0.899 222 E CA -0.969 55.480 56.400 0.082 0.000 0.772 222 E CB 1.552 31.311 29.700 0.098 0.000 1.155 222 E HN 0.623 nan 8.360 nan 0.000 0.408 223 I N 5.303 125.862 120.570 -0.018 0.000 2.306 223 I HA 0.177 4.348 4.170 0.001 0.000 0.288 223 I C -0.248 175.798 176.117 -0.118 0.000 1.036 223 I CA -0.746 60.508 61.300 -0.076 0.000 1.221 223 I CB 0.379 38.301 38.000 -0.131 0.000 1.385 223 I HN 0.508 nan 8.210 nan 0.000 0.472 224 L N 8.691 129.881 121.223 -0.055 0.000 2.281 224 L HA 0.464 4.805 4.340 0.001 0.000 0.285 224 L C -0.299 176.540 176.870 -0.052 0.000 1.074 224 L CA 0.221 55.028 54.840 -0.054 0.000 0.817 224 L CB 0.419 42.468 42.059 -0.017 0.000 1.168 224 L HN 0.349 nan 8.230 nan 0.000 0.434 225 I N 5.857 126.354 120.570 -0.122 0.000 2.410 225 I HA 0.354 4.525 4.170 0.001 0.000 0.286 225 I C -0.724 175.458 176.117 0.109 0.000 1.009 225 I CA -0.700 60.570 61.300 -0.050 0.000 1.111 225 I CB 1.818 39.553 38.000 -0.442 0.000 1.262 225 I HN 0.204 nan 8.210 nan 0.000 0.443 226 V N 5.448 125.495 119.914 0.221 0.000 2.472 226 V HA 0.939 5.060 4.120 0.001 0.000 0.290 226 V C 0.464 176.754 176.094 0.328 0.000 1.037 226 V CA -0.171 62.262 62.300 0.222 0.000 0.908 226 V CB 1.202 33.110 31.823 0.143 0.000 0.985 226 V HN 1.038 nan 8.190 nan 0.000 0.454 227 G N 2.711 111.701 108.800 0.317 0.000 2.335 227 G HA2 0.501 4.462 3.960 0.001 0.000 0.592 227 G HA3 0.501 4.462 3.960 0.001 0.000 0.592 227 G C -0.780 174.317 174.900 0.329 0.000 1.442 227 G CA -0.386 44.904 45.100 0.315 0.000 0.976 227 G HN 1.020 nan 8.290 nan 0.000 0.652 228 R N -0.712 119.873 120.500 0.142 0.000 2.500 228 R HA 1.007 5.348 4.340 0.001 0.000 0.275 228 R C 0.981 177.145 176.300 -0.227 0.000 1.051 228 R CA 1.135 57.258 56.100 0.039 0.000 1.088 228 R CB 1.307 31.610 30.300 0.004 0.000 1.063 228 R HN 2.770 nan 8.270 nan 0.000 0.511 229 G N -0.449 108.196 108.800 -0.259 0.000 2.335 229 G HA2 0.338 4.299 3.960 0.001 0.000 0.291 229 G HA3 0.338 4.299 3.960 0.001 0.000 0.291 229 G C -1.828 172.960 174.900 -0.187 0.000 1.261 229 G CA -0.092 44.665 45.100 -0.572 0.000 0.871 229 G HN 0.634 nan 8.290 nan 0.000 0.491 230 D N 0.294 120.631 120.400 -0.106 0.000 2.477 230 D HA 0.363 5.004 4.640 0.001 0.000 0.239 230 D C 1.280 177.621 176.300 0.069 0.000 1.102 230 D CA -0.322 53.673 54.000 -0.008 0.000 0.901 230 D CB 1.071 41.858 40.800 -0.021 0.000 1.026 230 D HN 0.460 nan 8.370 nan 0.000 0.515 231 E N 1.297 121.413 120.200 -0.139 0.000 2.118 231 E HA -0.197 4.154 4.350 0.001 0.000 0.195 231 E C 0.756 177.218 176.600 -0.230 0.000 0.992 231 E CA 0.933 57.009 56.400 -0.541 0.000 0.804 231 E CB 0.322 29.415 29.700 -1.013 0.000 0.741 231 E HN 0.420 nan 8.360 nan 0.000 0.458 232 D N 0.446 120.767 120.400 -0.131 0.000 2.104 232 D HA -0.189 4.451 4.640 0.001 0.000 0.194 232 D C 2.275 178.566 176.300 -0.014 0.000 0.994 232 D CA 2.063 56.026 54.000 -0.062 0.000 0.830 232 D CB -0.321 40.450 40.800 -0.048 0.000 0.959 232 D HN 0.388 nan 8.370 nan 0.000 0.452 233 E N 0.208 120.412 120.200 0.007 0.000 2.110 233 E HA -0.109 4.241 4.350 0.001 0.000 0.193 233 E C 2.024 178.656 176.600 0.053 0.000 0.988 233 E CA 1.003 57.420 56.400 0.029 0.000 0.804 233 E CB -0.873 28.846 29.700 0.032 0.000 0.745 233 E HN 0.220 nan 8.360 nan 0.000 0.458 234 L N 0.108 121.386 121.223 0.092 0.000 2.072 234 L HA 0.023 4.364 4.340 0.001 0.000 0.205 234 L C 2.603 179.534 176.870 0.102 0.000 1.079 234 L CA 1.473 56.381 54.840 0.114 0.000 0.752 234 L CB -0.111 42.060 42.059 0.186 0.000 0.906 234 L HN 0.201 nan 8.230 nan 0.000 0.436 235 R N -0.257 120.311 120.500 0.113 0.000 2.080 235 R HA -0.221 4.120 4.340 0.001 0.000 0.236 235 R C 2.261 178.592 176.300 0.051 0.000 1.137 235 R CA 1.910 58.068 56.100 0.096 0.000 0.943 235 R CB -0.863 29.478 30.300 0.068 0.000 0.846 235 R HN 0.579 nan 8.270 nan 0.000 0.431 236 E N 1.406 121.626 120.200 0.033 0.000 2.118 236 E HA -0.252 4.099 4.350 0.001 0.000 0.195 236 E C 1.829 178.443 176.600 0.023 0.000 0.992 236 E CA 1.640 58.053 56.400 0.022 0.000 0.804 236 E CB -0.562 29.147 29.700 0.014 0.000 0.741 236 E HN 0.573 nan 8.360 nan 0.000 0.458 237 Q N -1.070 118.746 119.800 0.028 0.000 2.123 237 Q HA 0.163 4.504 4.340 0.001 0.000 0.199 237 Q C 2.578 178.589 176.000 0.019 0.000 0.966 237 Q CA 0.876 56.692 55.803 0.021 0.000 0.845 237 Q CB -0.024 28.727 28.738 0.021 0.000 0.907 237 Q HN 0.585 nan 8.270 nan 0.000 0.439 238 A N 0.730 123.565 122.820 0.024 0.000 2.225 238 A HA 0.048 4.369 4.320 0.001 0.000 0.215 238 A C 1.452 179.054 177.584 0.030 0.000 1.164 238 A CA 1.118 53.170 52.037 0.024 0.000 0.710 238 A CB -1.065 17.953 19.000 0.029 0.000 0.780 238 A HN 0.499 nan 8.150 nan 0.000 0.473 239 G N 0.024 108.839 108.800 0.026 0.000 2.665 239 G HA2 -0.461 3.500 3.960 0.001 0.000 0.326 239 G HA3 -0.461 3.500 3.960 0.001 0.000 0.326 239 G C 0.658 175.573 174.900 0.025 0.000 1.231 239 G CA 0.853 45.966 45.100 0.022 0.000 0.992 239 G HN 0.391 nan 8.290 nan 0.000 0.549 240 D N 0.861 121.277 120.400 0.027 0.000 2.348 240 D HA 0.134 4.774 4.640 0.001 0.000 0.216 240 D C 2.227 178.554 176.300 0.045 0.000 0.970 240 D CA 0.665 54.681 54.000 0.028 0.000 0.889 240 D CB -0.041 40.775 40.800 0.027 0.000 0.912 240 D HN 0.370 nan 8.370 nan 0.000 0.524 241 L N -0.320 120.945 121.223 0.071 0.000 2.700 241 L HA 0.341 4.682 4.340 0.001 0.000 0.234 241 L C 1.931 178.868 176.870 0.112 0.000 1.156 241 L CA -0.170 54.761 54.840 0.153 0.000 0.946 241 L CB 0.194 42.358 42.059 0.175 0.000 1.216 241 L HN -0.112 nan 8.230 nan 0.000 0.493 242 A N 0.650 123.496 122.820 0.044 0.000 2.067 242 A HA -0.056 4.265 4.320 0.001 0.000 0.219 242 A C 2.348 179.933 177.584 0.001 0.000 1.158 242 A CA 1.440 53.499 52.037 0.038 0.000 0.661 242 A CB -0.722 18.305 19.000 0.045 0.000 0.801 242 A HN 0.442 nan 8.150 nan 0.000 0.452 243 G N -1.328 107.422 108.800 -0.082 0.000 2.462 243 G HA2 -0.238 3.722 3.960 0.001 0.000 0.220 243 G HA3 -0.238 3.722 3.960 0.001 0.000 0.220 243 G C 1.293 176.054 174.900 -0.232 0.000 1.121 243 G CA 0.988 45.983 45.100 -0.175 0.000 0.758 243 G HN 0.733 nan 8.290 nan 0.000 0.559 244 H N -0.889 118.175 119.070 -0.011 0.000 2.555 244 H HA 0.143 4.700 4.556 0.002 0.000 0.269 244 H C 0.054 175.338 175.328 -0.074 0.000 0.988 244 H CA 0.115 56.146 56.048 -0.028 0.000 1.178 244 H CB 0.364 30.113 29.762 -0.022 0.000 1.373 244 H HN 0.142 nan 8.280 nan 0.000 0.588 245 L N 1.425 122.632 121.223 -0.026 0.000 2.264 245 L HA 0.263 4.604 4.340 0.001 0.000 0.289 245 L C 0.628 177.375 176.870 -0.206 0.000 1.044 245 L CA -0.256 54.456 54.840 -0.213 0.000 0.807 245 L CB 1.245 43.137 42.059 -0.278 0.000 1.192 245 L HN 0.021 nan 8.230 nan 0.000 0.425 246 R N 3.453 123.794 120.500 -0.266 0.000 2.337 246 R HA 0.484 4.825 4.340 0.001 0.000 0.319 246 R C -1.446 174.721 176.300 -0.222 0.000 0.954 246 R CA -0.386 55.644 56.100 -0.117 0.000 0.840 246 R CB 0.543 30.844 30.300 0.002 0.000 1.164 246 R HN 0.299 nan 8.270 nan 0.000 0.472 247 F N 5.715 125.661 119.950 -0.006 0.000 2.371 247 F HA 0.312 4.840 4.527 0.001 0.000 0.363 247 F C 0.139 175.961 175.800 0.037 0.000 1.122 247 F CA -0.573 57.426 58.000 -0.003 0.000 1.129 247 F CB 0.942 39.938 39.000 -0.007 0.000 1.173 247 F HN 0.229 nan 8.300 nan 0.000 0.489 248 L N 3.096 124.428 121.223 0.182 0.000 2.395 248 L HA 0.421 4.762 4.340 0.001 0.000 0.269 248 L C 1.227 178.220 176.870 0.205 0.000 1.133 248 L CA -0.268 54.664 54.840 0.153 0.000 0.812 248 L CB 0.682 42.799 42.059 0.096 0.000 1.125 248 L HN 0.767 nan 8.230 nan 0.000 0.452 249 G N 0.795 109.693 108.800 0.164 0.000 2.935 249 G HA2 -0.026 3.935 3.960 0.001 0.000 0.157 249 G HA3 -0.026 3.935 3.960 0.001 0.000 0.157 249 G C -0.052 174.943 174.900 0.158 0.000 1.712 249 G CA -0.233 44.970 45.100 0.171 0.000 1.071 249 G HN 0.627 nan 8.290 nan 0.000 0.539 250 Q N 0.871 120.741 119.800 0.116 0.000 2.681 250 Q HA 0.389 4.729 4.340 0.001 0.000 0.222 250 Q C 0.339 176.386 176.000 0.078 0.000 1.258 250 Q CA -0.648 55.215 55.803 0.100 0.000 1.014 250 Q CB 0.121 28.906 28.738 0.078 0.000 1.384 250 Q HN 0.409 nan 8.270 nan 0.000 0.570 251 V N 0.338 120.299 119.914 0.080 0.000 3.441 251 V HA 0.205 4.325 4.120 0.001 0.000 0.300 251 V C 0.450 176.572 176.094 0.048 0.000 1.091 251 V CA -0.784 61.550 62.300 0.058 0.000 1.099 251 V CB 0.610 32.464 31.823 0.052 0.000 1.138 251 V HN 0.700 nan 8.190 nan 0.000 0.471 252 D N 0.099 120.518 120.400 0.032 0.000 2.411 252 D HA 0.106 4.747 4.640 0.001 0.000 0.251 252 D C 0.456 176.767 176.300 0.017 0.000 1.201 252 D CA -0.369 53.645 54.000 0.023 0.000 0.996 252 D CB 0.531 41.338 40.800 0.010 0.000 1.101 252 D HN 0.513 nan 8.370 nan 0.000 0.504 253 D N -0.311 120.094 120.400 0.008 0.000 2.117 253 D HA -0.064 4.576 4.640 0.001 0.000 0.198 253 D C 1.942 178.207 176.300 -0.057 0.000 0.982 253 D CA 2.047 56.045 54.000 -0.003 0.000 0.828 253 D CB -0.536 40.264 40.800 0.001 0.000 0.967 253 D HN 0.554 nan 8.370 nan 0.000 0.464 254 A N 0.002 122.782 122.820 -0.066 0.000 1.933 254 A HA -0.147 4.174 4.320 0.001 0.000 0.218 254 A C 2.290 179.831 177.584 -0.072 0.000 1.175 254 A CA 1.944 53.926 52.037 -0.092 0.000 0.628 254 A CB -0.756 18.203 19.000 -0.067 0.000 0.814 254 A HN 0.222 nan 8.150 nan 0.000 0.444 255 T N -0.587 113.945 114.554 -0.037 0.000 2.951 255 T HA -0.060 4.291 4.350 0.001 0.000 0.268 255 T C 1.894 176.582 174.700 -0.021 0.000 1.073 255 T CA 1.400 63.485 62.100 -0.025 0.000 1.134 255 T CB -0.071 68.794 68.868 -0.004 0.000 0.884 255 T HN 0.661 nan 8.240 nan 0.000 0.479 256 K N 1.424 121.820 120.400 -0.006 0.000 2.062 256 K HA 0.053 4.374 4.320 0.001 0.000 0.205 256 K C 2.532 179.157 176.600 0.042 0.000 1.051 256 K CA 1.123 57.426 56.287 0.027 0.000 0.941 256 K CB -0.320 32.217 32.500 0.061 0.000 0.719 256 K HN 0.236 nan 8.250 nan 0.000 0.440 257 A N 0.912 123.720 122.820 -0.020 0.000 1.902 257 A HA -0.130 4.191 4.320 0.001 0.000 0.217 257 A C 2.185 179.755 177.584 -0.025 0.000 1.181 257 A CA 2.073 54.066 52.037 -0.073 0.000 0.623 257 A CB -0.651 18.074 19.000 -0.459 0.000 0.818 257 A HN 0.408 nan 8.150 nan 0.000 0.443 258 S N -0.168 115.498 115.700 -0.056 0.000 2.368 258 S HA -0.007 4.464 4.470 0.001 0.000 0.224 258 S C 2.323 176.875 174.600 -0.081 0.000 1.029 258 S CA 1.124 59.291 58.200 -0.055 0.000 0.988 258 S CB -0.480 62.687 63.200 -0.054 0.000 0.838 258 S HN 0.800 nan 8.310 nan 0.000 0.462 259 A N 1.451 124.221 122.820 -0.082 0.000 1.858 259 A HA -0.100 4.221 4.320 0.001 0.000 0.216 259 A C 2.164 179.687 177.584 -0.101 0.000 1.190 259 A CA 1.769 53.727 52.037 -0.130 0.000 0.617 259 A CB -0.719 18.231 19.000 -0.083 0.000 0.827 259 A HN 0.445 nan 8.150 nan 0.000 0.443 260 M N -1.264 118.315 119.600 -0.036 0.000 2.144 260 M HA -0.168 4.313 4.480 0.001 0.000 0.260 260 M C 2.230 178.519 176.300 -0.017 0.000 1.067 260 M CA 1.622 56.903 55.300 -0.031 0.000 1.095 260 M CB -0.101 32.490 32.600 -0.014 0.000 1.365 260 M HN 0.366 nan 8.290 nan 0.000 0.406 261 R N -0.832 119.668 120.500 -0.000 0.000 2.275 261 R HA -0.000 4.340 4.340 0.001 0.000 0.199 261 R C 1.625 177.918 176.300 -0.011 0.000 0.989 261 R CA 1.345 57.451 56.100 0.010 0.000 1.016 261 R CB 0.109 30.427 30.300 0.030 0.000 0.918 261 R HN 0.488 nan 8.270 nan 0.000 0.473 262 S N -1.443 114.217 115.700 -0.066 0.000 2.512 262 S HA 0.282 4.753 4.470 0.001 0.000 0.216 262 S C 0.615 175.185 174.600 -0.049 0.000 1.006 262 S CA -0.272 57.884 58.200 -0.074 0.000 0.915 262 S CB 0.635 63.703 63.200 -0.221 0.000 0.824 262 S HN 0.216 nan 8.310 nan 0.000 0.497 263 A N 1.799 124.580 122.820 -0.064 0.000 2.351 263 A HA 0.448 4.769 4.320 0.001 0.000 0.257 263 A C 0.655 178.246 177.584 0.012 0.000 1.087 263 A CA -0.264 51.768 52.037 -0.009 0.000 0.798 263 A CB 0.285 19.281 19.000 -0.007 0.000 1.033 263 A HN 0.328 nan 8.150 nan 0.000 0.488 264 D N -0.259 120.144 120.400 0.006 0.000 2.271 264 D HA 0.115 4.756 4.640 0.001 0.000 0.206 264 D C 0.054 176.342 176.300 -0.020 0.000 0.967 264 D CA 1.197 55.189 54.000 -0.014 0.000 0.867 264 D CB 0.222 40.993 40.800 -0.049 0.000 0.960 264 D HN 0.250 nan 8.370 nan 0.000 0.509 265 V N 0.469 120.371 119.914 -0.020 0.000 2.888 265 V HA 0.228 4.349 4.120 0.001 0.000 0.309 265 V C -1.185 174.929 176.094 0.033 0.000 1.114 265 V CA -1.235 61.054 62.300 -0.017 0.000 0.940 265 V CB 2.248 34.033 31.823 -0.062 0.000 1.021 265 V HN -0.031 nan 8.190 nan 0.000 0.426 266 Y N 3.255 123.495 120.300 -0.100 0.000 2.335 266 Y HA 0.582 5.133 4.550 0.001 0.000 0.339 266 Y C 0.011 175.845 175.900 -0.111 0.000 0.987 266 Y CA -0.884 57.151 58.100 -0.108 0.000 1.140 266 Y CB 1.187 39.562 38.460 -0.143 0.000 1.173 266 Y HN 0.823 nan 8.280 nan 0.000 0.486 267 C N 7.287 126.221 119.300 -0.610 0.000 2.281 267 C HA 0.773 5.234 4.460 0.001 0.000 0.336 267 C C 0.284 174.787 174.990 -0.812 0.000 1.217 267 C CA -0.434 58.252 59.018 -0.553 0.000 1.730 267 C CB -1.903 25.715 27.740 -0.204 0.000 2.338 267 C HN 0.928 nan 8.230 nan 0.000 0.521 268 A N 8.417 130.828 122.820 -0.682 0.000 2.736 268 A HA 0.557 4.877 4.320 0.001 0.000 0.335 268 A C -2.007 175.664 177.584 0.145 0.000 1.446 268 A CA -1.000 50.871 52.037 -0.276 0.000 1.028 268 A CB 0.151 18.881 19.000 -0.451 0.000 1.154 268 A HN 0.765 nan 8.150 nan 0.000 0.507 269 P HA 0.137 nan 4.420 nan 0.000 0.259 269 P C -0.282 177.149 177.300 0.219 0.000 1.530 269 P CA -0.245 62.956 63.100 0.168 0.000 1.022 269 P CB -0.394 31.379 31.700 0.120 0.000 1.514 270 H N 0.082 119.252 119.070 0.166 0.000 3.016 270 H HA 0.022 4.579 4.556 0.002 0.000 0.345 270 H C 1.601 176.950 175.328 0.036 0.000 1.066 270 H CA 0.572 56.694 56.048 0.124 0.000 1.390 270 H CB 0.569 30.418 29.762 0.146 0.000 1.344 270 H HN -0.003 nan 8.280 nan 0.000 0.605 271 L N 1.373 122.667 121.223 0.119 0.000 2.477 271 L HA 0.255 4.596 4.340 0.001 0.000 0.220 271 L C 1.188 178.066 176.870 0.013 0.000 1.106 271 L CA 0.739 55.610 54.840 0.051 0.000 0.851 271 L CB 0.091 42.175 42.059 0.041 0.000 0.994 271 L HN 0.891 nan 8.230 nan 0.000 0.462 272 G N -2.444 106.362 108.800 0.010 0.000 2.333 272 G HA2 0.343 4.304 3.960 0.001 0.000 0.288 272 G HA3 0.343 4.304 3.960 0.001 0.000 0.288 272 G C 0.248 175.144 174.900 -0.007 0.000 1.286 272 G CA -0.104 44.975 45.100 -0.034 0.000 0.865 272 G HN 0.023 nan 8.290 nan 0.000 0.506 273 G N -1.148 107.647 108.800 -0.008 0.000 2.179 273 G HA2 -0.170 3.791 3.960 0.001 0.000 0.260 273 G HA3 -0.170 3.791 3.960 0.001 0.000 0.260 273 G C 0.112 175.030 174.900 0.030 0.000 0.977 273 G CA 1.135 46.252 45.100 0.027 0.000 0.641 273 G HN 0.827 nan 8.290 nan 0.000 0.533 274 E N 0.356 120.531 120.200 -0.041 0.000 2.156 274 E HA 0.619 4.970 4.350 0.001 0.000 0.279 274 E C 0.553 177.132 176.600 -0.036 0.000 0.965 274 E CA -0.109 56.262 56.400 -0.049 0.000 0.789 274 E CB 1.551 31.110 29.700 -0.234 0.000 1.098 274 E HN 0.127 nan 8.360 nan 0.000 0.397 275 S N 1.765 117.510 115.700 0.074 0.000 2.506 275 S HA 0.196 4.667 4.470 0.001 0.000 0.219 275 S C -0.125 174.587 174.600 0.187 0.000 1.031 275 S CA -0.159 58.108 58.200 0.113 0.000 0.911 275 S CB 0.439 63.736 63.200 0.162 0.000 0.812 275 S HN 0.443 nan 8.310 nan 0.000 0.497 276 F N 1.166 121.149 119.950 0.056 0.000 2.573 276 F HA 0.570 5.098 4.527 0.001 0.000 0.316 276 F C 0.025 175.871 175.800 0.077 0.000 1.148 276 F CA -0.890 57.140 58.000 0.051 0.000 0.940 276 F CB 1.278 40.300 39.000 0.036 0.000 1.214 276 F HN -0.025 nan 8.300 nan 0.000 0.448 277 G N 6.494 114.996 108.800 -0.496 0.000 3.343 277 G HA2 0.160 4.121 3.960 0.001 0.000 0.279 277 G HA3 0.160 4.121 3.960 0.001 0.000 0.279 277 G C 0.929 175.617 174.900 -0.354 0.000 0.919 277 G CA -0.170 44.798 45.100 -0.219 0.000 1.812 277 G HN 0.712 nan 8.290 nan 0.000 0.584 278 I N 1.847 122.387 120.570 -0.049 0.000 2.439 278 I HA -0.110 4.061 4.170 0.001 0.000 0.251 278 I C 2.388 178.384 176.117 -0.202 0.000 1.139 278 I CA 1.015 62.316 61.300 0.002 0.000 1.438 278 I CB 0.117 38.231 38.000 0.190 0.000 1.085 278 I HN 0.226 nan 8.210 nan 0.000 0.427 279 V N 0.858 120.640 119.914 -0.219 0.000 2.515 279 V HA -0.245 3.876 4.120 0.001 0.000 0.250 279 V C 2.473 178.245 176.094 -0.537 0.000 1.058 279 V CA 1.019 63.105 62.300 -0.358 0.000 1.064 279 V CB -0.691 30.967 31.823 -0.274 0.000 0.675 279 V HN 0.256 nan 8.190 nan 0.000 0.461 280 L N -0.194 120.761 121.223 -0.446 0.000 2.046 280 L HA -0.122 4.219 4.340 0.001 0.000 0.208 280 L C 2.466 179.080 176.870 -0.427 0.000 1.077 280 L CA 1.570 56.162 54.840 -0.413 0.000 0.747 280 L CB -1.038 40.728 42.059 -0.489 0.000 0.896 280 L HN 0.140 nan 8.230 nan 0.000 0.432 281 V N -0.465 119.169 119.914 -0.467 0.000 2.332 281 V HA -0.315 3.806 4.120 0.001 0.000 0.248 281 V C 2.454 178.251 176.094 -0.495 0.000 1.055 281 V CA 1.833 63.855 62.300 -0.464 0.000 1.038 281 V CB -0.614 30.880 31.823 -0.548 0.000 0.651 281 V HN 0.500 nan 8.190 nan 0.000 0.450 282 E N 0.273 120.100 120.200 -0.623 0.000 2.085 282 E HA -0.216 4.135 4.350 0.001 0.000 0.194 282 E C 2.343 178.458 176.600 -0.808 0.000 0.994 282 E CA 1.367 57.150 56.400 -1.029 0.000 0.801 282 E CB -0.368 28.759 29.700 -0.955 0.000 0.743 282 E HN 0.618 nan 8.360 nan 0.000 0.453 283 A N 1.165 123.632 122.820 -0.589 0.000 1.902 283 A HA -0.194 4.127 4.320 0.001 0.000 0.217 283 A C 2.185 179.621 177.584 -0.246 0.000 1.181 283 A CA 1.456 53.260 52.037 -0.388 0.000 0.623 283 A CB -0.485 18.292 19.000 -0.372 0.000 0.818 283 A HN 0.138 nan 8.150 nan 0.000 0.443 284 M N -0.441 119.010 119.600 -0.248 0.000 2.159 284 M HA -0.151 4.330 4.480 0.001 0.000 0.263 284 M C 2.484 178.699 176.300 -0.141 0.000 1.063 284 M CA 1.417 56.621 55.300 -0.161 0.000 1.110 284 M CB -0.474 32.041 32.600 -0.142 0.000 1.374 284 M HN 0.474 nan 8.290 nan 0.000 0.411 285 A N 0.504 123.207 122.820 -0.195 0.000 1.933 285 A HA -0.001 4.320 4.320 0.001 0.000 0.218 285 A C 2.378 179.979 177.584 0.028 0.000 1.175 285 A CA 1.786 53.767 52.037 -0.093 0.000 0.628 285 A CB -0.813 18.113 19.000 -0.124 0.000 0.814 285 A HN 0.498 nan 8.150 nan 0.000 0.444 286 A N -1.700 121.125 122.820 0.008 0.000 2.015 286 A HA 0.339 4.660 4.320 0.001 0.000 0.219 286 A C 1.922 179.529 177.584 0.039 0.000 1.163 286 A CA 1.555 53.650 52.037 0.096 0.000 0.646 286 A CB -0.934 18.119 19.000 0.088 0.000 0.806 286 A HN 1.979 nan 8.150 nan 0.000 0.448 287 G N -1.772 107.027 108.800 -0.002 0.000 2.142 287 G HA2 -0.160 3.801 3.960 0.001 0.000 0.225 287 G HA3 -0.160 3.801 3.960 0.001 0.000 0.225 287 G C 0.143 175.045 174.900 0.003 0.000 1.015 287 G CA 0.261 45.363 45.100 0.004 0.000 0.716 287 G HN 0.655 nan 8.290 nan 0.000 0.508 288 T N 0.982 115.526 114.554 -0.016 0.000 2.771 288 T HA 0.719 5.070 4.350 0.001 0.000 0.281 288 T C 0.760 175.454 174.700 -0.011 0.000 0.982 288 T CA 0.427 62.522 62.100 -0.008 0.000 0.978 288 T CB 1.675 70.537 68.868 -0.011 0.000 0.930 288 T HN 1.366 nan 8.240 nan 0.000 0.447 289 A N 3.153 125.974 122.820 0.002 0.000 2.466 289 A HA 0.533 4.854 4.320 0.001 0.000 0.238 289 A C -0.001 177.547 177.584 -0.059 0.000 1.074 289 A CA -0.286 51.741 52.037 -0.017 0.000 0.774 289 A CB 0.206 19.216 19.000 0.017 0.000 1.015 289 A HN 0.670 nan 8.150 nan 0.000 0.498 290 V N 1.876 121.702 119.914 -0.147 0.000 2.604 290 V HA 0.478 4.598 4.120 0.001 0.000 0.305 290 V C -0.527 175.414 176.094 -0.256 0.000 1.043 290 V CA -0.459 61.753 62.300 -0.147 0.000 0.888 290 V CB 1.848 33.592 31.823 -0.132 0.000 0.995 290 V HN 0.651 nan 8.190 nan 0.000 0.429 291 V N 3.638 123.411 119.914 -0.236 0.000 2.407 291 V HA 0.872 4.993 4.120 0.001 0.000 0.291 291 V C 0.068 176.036 176.094 -0.210 0.000 1.018 291 V CA -0.377 61.791 62.300 -0.219 0.000 0.842 291 V CB 1.486 33.209 31.823 -0.166 0.000 0.996 291 V HN 1.019 nan 8.190 nan 0.000 0.426 292 A N 3.083 125.816 122.820 -0.144 0.000 2.393 292 A HA 0.654 4.975 4.320 0.001 0.000 0.306 292 A C 1.016 178.650 177.584 0.084 0.000 1.050 292 A CA -0.155 51.846 52.037 -0.060 0.000 0.724 292 A CB 1.775 20.685 19.000 -0.150 0.000 1.248 292 A HN 0.681 nan 8.150 nan 0.000 0.424 293 S N 0.844 116.650 115.700 0.177 0.000 2.468 293 S HA -0.274 4.197 4.470 0.001 0.000 0.261 293 S C 0.914 175.574 174.600 0.100 0.000 1.127 293 S CA 2.632 60.926 58.200 0.156 0.000 1.092 293 S CB -0.373 62.937 63.200 0.184 0.000 0.945 293 S HN 1.511 nan 8.310 nan 0.000 0.463 294 D N -0.580 119.910 120.400 0.150 0.000 2.760 294 D HA -0.147 4.494 4.640 0.001 0.000 0.244 294 D C -0.446 175.824 176.300 -0.050 0.000 1.096 294 D CA 0.321 54.351 54.000 0.049 0.000 0.716 294 D CB -1.754 39.062 40.800 0.026 0.000 1.075 294 D HN 0.414 nan 8.370 nan 0.000 0.434 295 L N 0.188 121.295 121.223 -0.195 0.000 2.456 295 L HA 0.317 4.658 4.340 0.001 0.000 0.257 295 L C 1.850 178.602 176.870 -0.197 0.000 1.162 295 L CA -0.929 53.736 54.840 -0.291 0.000 0.808 295 L CB 0.337 42.021 42.059 -0.624 0.000 1.136 295 L HN -0.096 nan 8.230 nan 0.000 0.466 296 D N 1.084 121.396 120.400 -0.147 0.000 2.149 296 D HA -0.172 4.469 4.640 0.001 0.000 0.198 296 D C 1.895 178.143 176.300 -0.087 0.000 0.990 296 D CA 1.671 55.618 54.000 -0.088 0.000 0.839 296 D CB -0.058 40.703 40.800 -0.064 0.000 0.948 296 D HN 0.670 nan 8.370 nan 0.000 0.460 297 A N 0.122 122.857 122.820 -0.141 0.000 2.015 297 A HA -0.105 4.216 4.320 0.001 0.000 0.219 297 A C 1.802 179.411 177.584 0.040 0.000 1.163 297 A CA 0.747 52.724 52.037 -0.099 0.000 0.646 297 A CB -0.508 18.417 19.000 -0.125 0.000 0.806 297 A HN 0.086 nan 8.150 nan 0.000 0.448 298 F N -0.437 119.399 119.950 -0.190 0.000 2.219 298 F HA 0.104 4.632 4.527 0.001 0.000 0.294 298 F C 2.248 177.960 175.800 -0.147 0.000 1.086 298 F CA 0.675 58.556 58.000 -0.197 0.000 1.330 298 F CB -1.105 37.792 39.000 -0.172 0.000 1.047 298 F HN 0.231 nan 8.300 nan 0.000 0.495 299 R N 1.166 121.719 120.500 0.088 0.000 2.117 299 R HA -0.211 4.130 4.340 0.001 0.000 0.243 299 R C 2.416 178.718 176.300 0.004 0.000 1.143 299 R CA 2.059 58.175 56.100 0.026 0.000 0.968 299 R CB -0.116 30.188 30.300 0.006 0.000 0.863 299 R HN 0.365 nan 8.270 nan 0.000 0.444 300 R N -0.886 119.607 120.500 -0.011 0.000 2.100 300 R HA 0.027 4.368 4.340 0.001 0.000 0.220 300 R C 1.954 178.250 176.300 -0.006 0.000 1.091 300 R CA 1.038 57.131 56.100 -0.012 0.000 0.986 300 R CB -0.501 29.791 30.300 -0.012 0.000 0.888 300 R HN 0.030 nan 8.270 nan 0.000 0.444 301 V N 2.500 122.368 119.914 -0.076 0.000 2.255 301 V HA -0.218 3.903 4.120 0.001 0.000 0.247 301 V C 2.387 178.457 176.094 -0.040 0.000 1.051 301 V CA 1.774 64.009 62.300 -0.108 0.000 1.018 301 V CB -0.395 31.220 31.823 -0.346 0.000 0.641 301 V HN 0.304 nan 8.190 nan 0.000 0.445 302 L N 0.021 121.209 121.223 -0.058 0.000 2.552 302 L HA 0.219 4.560 4.340 0.001 0.000 0.227 302 L C 1.312 178.186 176.870 0.006 0.000 1.146 302 L CA 0.612 55.429 54.840 -0.038 0.000 0.858 302 L CB -0.702 41.318 42.059 -0.065 0.000 0.969 302 L HN 0.458 nan 8.230 nan 0.000 0.451 303 A N 0.615 123.443 122.820 0.013 0.000 2.800 303 A HA -0.242 4.079 4.320 0.001 0.000 0.292 303 A C 0.539 178.137 177.584 0.023 0.000 1.474 303 A CA 0.543 52.593 52.037 0.021 0.000 0.744 303 A CB -1.893 17.122 19.000 0.025 0.000 1.044 303 A HN 0.662 nan 8.150 nan 0.000 0.489 304 D N -2.749 117.663 120.400 0.019 0.000 3.012 304 D HA -0.184 4.456 4.640 0.001 0.000 0.222 304 D C 1.373 177.694 176.300 0.036 0.000 1.167 304 D CA 2.851 56.864 54.000 0.022 0.000 0.854 304 D CB -1.422 39.389 40.800 0.018 0.000 1.107 304 D HN 2.466 nan 8.370 nan 0.000 0.421 305 G N -0.078 108.751 108.800 0.047 0.000 2.184 305 G HA2 -0.271 3.690 3.960 0.001 0.000 0.206 305 G HA3 -0.271 3.690 3.960 0.001 0.000 0.206 305 G C 0.494 175.495 174.900 0.167 0.000 0.995 305 G CA 0.565 45.718 45.100 0.088 0.000 0.651 305 G HN 0.422 nan 8.290 nan 0.000 0.511 306 D N 0.116 120.587 120.400 0.119 0.000 2.213 306 D HA 0.431 5.072 4.640 0.001 0.000 0.205 306 D C 2.298 178.708 176.300 0.183 0.000 0.961 306 D CA 1.824 55.897 54.000 0.121 0.000 0.853 306 D CB -0.017 40.819 40.800 0.060 0.000 0.967 306 D HN 0.681 nan 8.370 nan 0.000 0.496 307 A N -0.893 122.019 122.820 0.154 0.000 2.508 307 A HA 0.672 4.993 4.320 0.001 0.000 0.257 307 A C 0.748 178.376 177.584 0.073 0.000 1.226 307 A CA 0.366 52.490 52.037 0.144 0.000 0.947 307 A CB 0.558 19.591 19.000 0.055 0.000 1.079 307 A HN 0.256 nan 8.150 nan 0.000 0.531 308 G N -0.776 107.996 108.800 -0.047 0.000 2.523 308 G HA2 0.460 4.421 3.960 0.001 0.000 0.291 308 G HA3 0.460 4.421 3.960 0.001 0.000 0.291 308 G C -1.490 173.077 174.900 -0.555 0.000 1.450 308 G CA -0.931 43.887 45.100 -0.469 0.000 0.790 308 G HN 0.260 nan 8.290 nan 0.000 0.496 309 R N -0.178 119.914 120.500 -0.679 0.000 2.265 309 R HA 0.638 4.979 4.340 0.001 0.000 0.314 309 R C -0.636 175.566 176.300 -0.164 0.000 1.053 309 R CA -0.382 55.510 56.100 -0.346 0.000 0.931 309 R CB 0.291 30.402 30.300 -0.315 0.000 1.024 309 R HN 0.339 nan 8.270 nan 0.000 0.457 310 L N 4.824 126.006 121.223 -0.069 0.000 2.296 310 L HA 0.515 4.856 4.340 0.001 0.000 0.286 310 L C -0.684 176.182 176.870 -0.007 0.000 1.023 310 L CA -0.957 53.869 54.840 -0.023 0.000 0.812 310 L CB 1.894 43.954 42.059 0.002 0.000 1.223 310 L HN 0.341 nan 8.230 nan 0.000 0.421 311 V N 3.986 123.901 119.914 0.002 0.000 2.581 311 V HA 0.476 4.597 4.120 0.001 0.000 0.303 311 V C -2.180 173.924 176.094 0.017 0.000 1.041 311 V CA -1.983 60.322 62.300 0.007 0.000 0.907 311 V CB 2.005 33.829 31.823 0.002 0.000 0.994 311 V HN 0.561 nan 8.190 nan 0.000 0.442 312 P HA 0.109 nan 4.420 nan 0.000 0.272 312 P C 1.020 178.330 177.300 0.016 0.000 1.223 312 P CA -0.078 63.030 63.100 0.013 0.000 0.784 312 P CB 0.587 32.293 31.700 0.010 0.000 0.923 313 V N -0.535 119.387 119.914 0.012 0.000 2.215 313 V HA -0.210 3.911 4.120 0.001 0.000 0.249 313 V C 1.084 177.191 176.094 0.023 0.000 1.054 313 V CA 2.186 64.496 62.300 0.016 0.000 1.012 313 V CB -1.255 30.568 31.823 0.001 0.000 0.639 313 V HN 0.380 nan 8.190 nan 0.000 0.448 314 D N 0.848 121.258 120.400 0.016 0.000 3.168 314 D HA 0.227 4.868 4.640 0.001 0.000 0.255 314 D C -0.653 175.656 176.300 0.015 0.000 1.314 314 D CA -0.038 53.972 54.000 0.018 0.000 0.900 314 D CB -0.459 40.349 40.800 0.014 0.000 1.072 314 D HN 0.605 nan 8.370 nan 0.000 0.487 315 D N -0.044 120.365 120.400 0.016 0.000 2.458 315 D HA 0.337 4.978 4.640 0.001 0.000 0.258 315 D C 1.027 177.334 176.300 0.012 0.000 1.134 315 D CA -0.480 53.528 54.000 0.012 0.000 0.915 315 D CB 1.110 41.917 40.800 0.012 0.000 1.028 315 D HN 0.120 nan 8.370 nan 0.000 0.508 316 A N 2.976 125.802 122.820 0.010 0.000 1.851 316 A HA -0.199 4.122 4.320 0.001 0.000 0.216 316 A C 1.685 179.273 177.584 0.006 0.000 1.195 316 A CA 1.549 53.591 52.037 0.007 0.000 0.622 316 A CB -0.241 18.762 19.000 0.005 0.000 0.831 316 A HN 0.467 nan 8.150 nan 0.000 0.444 317 D N -0.970 119.433 120.400 0.006 0.000 2.269 317 D HA 0.076 4.716 4.640 0.001 0.000 0.208 317 D C 1.960 178.265 176.300 0.008 0.000 0.963 317 D CA 1.051 55.055 54.000 0.005 0.000 0.864 317 D CB -0.204 40.598 40.800 0.004 0.000 0.936 317 D HN 0.442 nan 8.370 nan 0.000 0.505 318 G N 0.283 109.088 108.800 0.008 0.000 2.421 318 G HA2 -0.236 3.725 3.960 0.001 0.000 0.217 318 G HA3 -0.236 3.725 3.960 0.001 0.000 0.217 318 G C 1.524 176.429 174.900 0.008 0.000 1.143 318 G CA 0.533 45.639 45.100 0.010 0.000 0.784 318 G HN 0.151 nan 8.290 nan 0.000 0.541 319 M N 1.421 121.025 119.600 0.006 0.000 2.156 319 M HA 0.301 4.782 4.480 0.001 0.000 0.264 319 M C 2.647 178.948 176.300 0.002 0.000 1.067 319 M CA 1.494 56.795 55.300 0.001 0.000 1.131 319 M CB -0.358 32.244 32.600 0.004 0.000 1.368 319 M HN 0.195 nan 8.290 nan 0.000 0.416 320 A N 0.185 123.009 122.820 0.007 0.000 1.859 320 A HA -0.081 4.240 4.320 0.001 0.000 0.217 320 A C 2.420 180.020 177.584 0.027 0.000 1.198 320 A CA 2.573 54.619 52.037 0.014 0.000 0.629 320 A CB -1.683 17.324 19.000 0.011 0.000 0.830 320 A HN 0.652 nan 8.150 nan 0.000 0.446 321 A N -0.331 122.503 122.820 0.023 0.000 1.892 321 A HA 0.046 4.367 4.320 0.001 0.000 0.218 321 A C 2.544 180.150 177.584 0.037 0.000 1.188 321 A CA 2.687 54.742 52.037 0.030 0.000 0.631 321 A CB -1.181 17.833 19.000 0.023 0.000 0.822 321 A HN 1.243 nan 8.150 nan 0.000 0.447 322 A N -0.534 122.299 122.820 0.022 0.000 1.902 322 A HA -0.050 4.271 4.320 0.001 0.000 0.217 322 A C 2.183 179.774 177.584 0.013 0.000 1.181 322 A CA 1.611 53.656 52.037 0.014 0.000 0.623 322 A CB -0.579 18.414 19.000 -0.011 0.000 0.818 322 A HN 0.488 nan 8.150 nan 0.000 0.443 323 L N -0.964 120.264 121.223 0.007 0.000 2.156 323 L HA -0.056 4.285 4.340 0.001 0.000 0.208 323 L C 2.405 179.300 176.870 0.042 0.000 1.095 323 L CA 0.781 55.619 54.840 -0.003 0.000 0.770 323 L CB -0.349 41.700 42.059 -0.016 0.000 0.914 323 L HN 0.346 nan 8.230 nan 0.000 0.439 324 I N -0.264 120.369 120.570 0.105 0.000 2.286 324 I HA -0.167 4.004 4.170 0.001 0.000 0.245 324 I C 2.566 178.797 176.117 0.190 0.000 1.104 324 I CA 1.335 62.769 61.300 0.224 0.000 1.397 324 I CB -0.596 37.504 38.000 0.167 0.000 1.072 324 I HN 0.246 nan 8.210 nan 0.000 0.417 325 G N 1.092 109.959 108.800 0.112 0.000 2.422 325 G HA2 -0.194 3.767 3.960 0.001 0.000 0.218 325 G HA3 -0.194 3.767 3.960 0.001 0.000 0.218 325 G C 1.564 176.526 174.900 0.103 0.000 1.146 325 G CA 0.422 45.582 45.100 0.099 0.000 0.769 325 G HN 0.158 nan 8.290 nan 0.000 0.547 326 I N 0.847 121.466 120.570 0.082 0.000 2.202 326 I HA -0.005 4.166 4.170 0.001 0.000 0.242 326 I C 2.790 178.932 176.117 0.042 0.000 1.091 326 I CA 0.720 62.064 61.300 0.073 0.000 1.368 326 I CB -1.006 37.009 38.000 0.024 0.000 1.058 326 I HN 0.150 nan 8.210 nan 0.000 0.410 327 L N 0.474 121.696 121.223 -0.002 0.000 2.156 327 L HA -0.116 4.225 4.340 0.001 0.000 0.208 327 L C 2.609 179.517 176.870 0.064 0.000 1.095 327 L CA 1.397 56.161 54.840 -0.128 0.000 0.770 327 L CB -0.847 40.886 42.059 -0.543 0.000 0.914 327 L HN 0.308 nan 8.230 nan 0.000 0.439 328 E N -0.952 119.403 120.200 0.259 0.000 2.447 328 E HA -0.081 4.270 4.350 0.001 0.000 0.195 328 E C 0.483 177.168 176.600 0.141 0.000 1.028 328 E CA 0.407 56.978 56.400 0.284 0.000 0.876 328 E CB 0.037 29.896 29.700 0.265 0.000 0.885 328 E HN 0.231 nan 8.360 nan 0.000 0.500 329 D N 0.140 120.602 120.400 0.104 0.000 2.464 329 D HA 0.149 4.790 4.640 0.001 0.000 0.243 329 D C -0.329 176.004 176.300 0.055 0.000 1.104 329 D CA -0.463 53.578 54.000 0.069 0.000 0.883 329 D CB 0.849 41.685 40.800 0.061 0.000 1.050 329 D HN 0.046 nan 8.370 nan 0.000 0.524 330 D N 2.431 122.858 120.400 0.046 0.000 2.178 330 D HA -0.166 4.475 4.640 0.001 0.000 0.202 330 D C 1.892 178.205 176.300 0.021 0.000 0.974 330 D CA 1.143 55.164 54.000 0.034 0.000 0.841 330 D CB 0.382 41.201 40.800 0.032 0.000 0.953 330 D HN 0.630 nan 8.370 nan 0.000 0.478 331 Q N 0.710 120.516 119.800 0.010 0.000 2.172 331 Q HA -0.015 4.326 4.340 0.001 0.000 0.200 331 Q C 2.133 178.109 176.000 -0.040 0.000 0.964 331 Q CA 0.852 56.648 55.803 -0.012 0.000 0.855 331 Q CB -0.843 27.886 28.738 -0.016 0.000 0.918 331 Q HN 0.334 nan 8.270 nan 0.000 0.444 332 L N 0.063 121.268 121.223 -0.031 0.000 2.027 332 L HA -0.029 4.312 4.340 0.001 0.000 0.206 332 L C 2.553 179.381 176.870 -0.070 0.000 1.074 332 L CA 2.489 57.276 54.840 -0.088 0.000 0.745 332 L CB -0.439 41.614 42.059 -0.010 0.000 0.898 332 L HN 0.428 nan 8.230 nan 0.000 0.433 333 R N -0.397 120.147 120.500 0.073 0.000 2.070 333 R HA -0.152 4.189 4.340 0.001 0.000 0.233 333 R C 2.231 178.588 176.300 0.096 0.000 1.137 333 R CA 1.566 57.757 56.100 0.153 0.000 0.945 333 R CB -0.560 29.797 30.300 0.096 0.000 0.845 333 R HN 0.551 nan 8.270 nan 0.000 0.430 334 A N 0.079 122.920 122.820 0.035 0.000 1.978 334 A HA -0.086 4.235 4.320 0.001 0.000 0.220 334 A C 2.251 179.836 177.584 0.002 0.000 1.170 334 A CA 1.750 53.800 52.037 0.021 0.000 0.636 334 A CB -1.127 17.878 19.000 0.008 0.000 0.810 334 A HN 0.612 nan 8.150 nan 0.000 0.448 335 G N -1.220 107.549 108.800 -0.051 0.000 2.453 335 G HA2 -0.225 3.736 3.960 0.001 0.000 0.215 335 G HA3 -0.225 3.736 3.960 0.001 0.000 0.215 335 G C 1.431 176.286 174.900 -0.075 0.000 1.201 335 G CA 1.152 46.186 45.100 -0.109 0.000 0.784 335 G HN 0.571 nan 8.290 nan 0.000 0.545 336 Y N 0.416 120.710 120.300 -0.010 0.000 2.002 336 Y HA -0.266 4.285 4.550 0.001 0.000 0.268 336 Y C 3.191 179.079 175.900 -0.021 0.000 1.177 336 Y CA 1.208 59.298 58.100 -0.016 0.000 1.111 336 Y CB -0.785 37.664 38.460 -0.018 0.000 0.952 336 Y HN 0.035 nan 8.280 nan 0.000 0.491 337 V N 0.035 120.043 119.914 0.157 0.000 2.250 337 V HA -0.447 3.674 4.120 0.001 0.000 0.253 337 V C 2.458 178.576 176.094 0.040 0.000 1.065 337 V CA 2.058 64.400 62.300 0.071 0.000 1.039 337 V CB -1.464 30.390 31.823 0.052 0.000 0.647 337 V HN 0.579 nan 8.190 nan 0.000 0.446 338 A N -0.633 122.205 122.820 0.031 0.000 1.902 338 A HA -0.236 4.085 4.320 0.001 0.000 0.217 338 A C 2.370 179.962 177.584 0.014 0.000 1.181 338 A CA 1.998 54.045 52.037 0.018 0.000 0.623 338 A CB -0.508 18.498 19.000 0.009 0.000 0.818 338 A HN 0.530 nan 8.150 nan 0.000 0.443 339 R N -0.745 119.767 120.500 0.020 0.000 2.075 339 R HA -0.021 4.320 4.340 0.001 0.000 0.232 339 R C 2.524 178.835 176.300 0.018 0.000 1.126 339 R CA 1.117 57.230 56.100 0.021 0.000 0.963 339 R CB -0.413 29.906 30.300 0.031 0.000 0.858 339 R HN 0.513 nan 8.270 nan 0.000 0.435 340 A N 0.561 123.398 122.820 0.028 0.000 1.877 340 A HA -0.153 4.168 4.320 0.001 0.000 0.216 340 A C 2.172 179.721 177.584 -0.058 0.000 1.186 340 A CA 1.814 53.849 52.037 -0.002 0.000 0.620 340 A CB -0.500 18.501 19.000 0.002 0.000 0.822 340 A HN 0.245 nan 8.150 nan 0.000 0.443 341 S N -0.574 115.088 115.700 -0.063 0.000 2.400 341 S HA -0.055 4.415 4.470 0.001 0.000 0.232 341 S C 2.184 176.647 174.600 -0.228 0.000 1.025 341 S CA 1.675 59.796 58.200 -0.130 0.000 0.993 341 S CB -0.486 62.684 63.200 -0.050 0.000 0.808 341 S HN 0.866 nan 8.310 nan 0.000 0.478 342 E N 2.063 122.210 120.200 -0.089 0.000 2.047 342 E HA -0.146 4.205 4.350 0.001 0.000 0.191 342 E C 1.889 178.447 176.600 -0.070 0.000 0.987 342 E CA 1.531 57.919 56.400 -0.020 0.000 0.799 342 E CB -0.745 28.973 29.700 0.030 0.000 0.752 342 E HN 0.658 nan 8.360 nan 0.000 0.449 343 R N -0.243 120.214 120.500 -0.071 0.000 2.092 343 R HA 0.018 4.359 4.340 0.001 0.000 0.231 343 R C 2.331 178.582 176.300 -0.081 0.000 1.119 343 R CA 1.309 57.378 56.100 -0.051 0.000 0.970 343 R CB -0.674 29.621 30.300 -0.009 0.000 0.864 343 R HN 0.273 nan 8.270 nan 0.000 0.440 344 V N 1.607 121.453 119.914 -0.114 0.000 2.982 344 V HA -0.187 3.934 4.120 0.001 0.000 0.265 344 V C 1.355 177.418 176.094 -0.052 0.000 1.122 344 V CA 1.614 63.906 62.300 -0.013 0.000 1.143 344 V CB -0.691 31.084 31.823 -0.080 0.000 0.726 344 V HN 0.501 nan 8.190 nan 0.000 0.507 345 H N -0.167 118.905 119.070 0.005 0.000 2.491 345 H HA -0.079 4.478 4.556 0.001 0.000 0.290 345 H C 2.361 177.640 175.328 -0.082 0.000 1.050 345 H CA 1.423 57.462 56.048 -0.016 0.000 1.309 345 H CB -0.170 29.586 29.762 -0.011 0.000 1.392 345 H HN 0.442 nan 8.280 nan 0.000 0.554 346 R N 0.202 120.634 120.500 -0.113 0.000 2.117 346 R HA -0.182 4.159 4.340 0.001 0.000 0.243 346 R C 1.114 177.192 176.300 -0.371 0.000 1.143 346 R CA 1.611 57.507 56.100 -0.340 0.000 0.968 346 R CB -0.065 29.820 30.300 -0.691 0.000 0.863 346 R HN 0.341 nan 8.270 nan 0.000 0.444 347 Y N -0.925 119.360 120.300 -0.026 0.000 2.462 347 Y HA 0.118 4.669 4.550 0.002 0.000 0.261 347 Y C 0.297 176.085 175.900 -0.187 0.000 1.146 347 Y CA -0.656 57.386 58.100 -0.096 0.000 1.283 347 Y CB 0.237 38.650 38.460 -0.080 0.000 1.090 347 Y HN 0.095 nan 8.280 nan 0.000 0.526 348 D N -0.728 119.690 120.400 0.029 0.000 2.414 348 D HA -0.115 4.525 4.640 0.001 0.000 0.242 348 D C 0.565 176.875 176.300 0.017 0.000 1.129 348 D CA 0.140 54.160 54.000 0.034 0.000 0.885 348 D CB 0.629 41.511 40.800 0.137 0.000 1.198 348 D HN 0.189 nan 8.370 nan 0.000 0.437 349 W N 1.435 122.794 121.300 0.098 0.000 2.364 349 W HA -0.196 4.465 4.660 0.001 0.000 0.281 349 W C 2.628 179.171 176.519 0.041 0.000 1.219 349 W CA 0.920 58.302 57.345 0.061 0.000 1.220 349 W CB -0.201 29.287 29.460 0.046 0.000 1.127 349 W HN 0.553 nan 8.180 nan 0.000 0.556 350 S N -0.894 114.956 115.700 0.250 0.000 2.436 350 S HA -0.115 4.356 4.470 0.001 0.000 0.228 350 S C 1.605 176.268 174.600 0.105 0.000 1.014 350 S CA 1.199 59.493 58.200 0.157 0.000 0.950 350 S CB -0.765 62.500 63.200 0.109 0.000 0.784 350 S HN 0.064 nan 8.310 nan 0.000 0.504 351 V N 1.364 121.327 119.914 0.083 0.000 2.323 351 V HA -0.045 4.076 4.120 0.001 0.000 0.244 351 V C 2.622 178.746 176.094 0.050 0.000 1.041 351 V CA 1.479 63.802 62.300 0.038 0.000 1.025 351 V CB -0.612 31.209 31.823 -0.004 0.000 0.656 351 V HN 0.457 nan 8.190 nan 0.000 0.451 352 V N 0.782 120.742 119.914 0.078 0.000 2.535 352 V HA -0.130 3.991 4.120 0.001 0.000 0.246 352 V C 2.681 178.872 176.094 0.162 0.000 1.045 352 V CA 1.854 64.205 62.300 0.085 0.000 1.058 352 V CB -0.220 31.599 31.823 -0.007 0.000 0.689 352 V HN 0.736 nan 8.190 nan 0.000 0.461 353 S N 0.984 116.836 115.700 0.253 0.000 2.447 353 S HA -0.067 4.404 4.470 0.001 0.000 0.233 353 S C 2.009 176.633 174.600 0.041 0.000 1.006 353 S CA 1.188 59.490 58.200 0.170 0.000 0.957 353 S CB -0.279 63.028 63.200 0.178 0.000 0.773 353 S HN 0.516 nan 8.310 nan 0.000 0.507 354 A N 1.799 124.648 122.820 0.048 0.000 1.872 354 A HA -0.054 4.267 4.320 0.001 0.000 0.214 354 A C 2.345 179.914 177.584 -0.025 0.000 1.187 354 A CA 1.336 53.380 52.037 0.012 0.000 0.614 354 A CB -0.836 18.179 19.000 0.025 0.000 0.826 354 A HN 0.629 nan 8.150 nan 0.000 0.442 355 Q N -0.358 119.433 119.800 -0.016 0.000 2.096 355 Q HA -0.149 4.192 4.340 0.001 0.000 0.204 355 Q C 2.030 177.976 176.000 -0.089 0.000 0.982 355 Q CA 1.719 57.501 55.803 -0.035 0.000 0.850 355 Q CB -0.391 28.338 28.738 -0.014 0.000 0.901 355 Q HN 0.738 nan 8.270 nan 0.000 0.422 356 I N -0.092 120.404 120.570 -0.123 0.000 2.252 356 I HA -0.268 3.903 4.170 0.001 0.000 0.245 356 I C 2.397 178.147 176.117 -0.611 0.000 1.102 356 I CA 0.777 61.900 61.300 -0.295 0.000 1.385 356 I CB -0.166 37.698 38.000 -0.227 0.000 1.064 356 I HN 0.293 nan 8.210 nan 0.000 0.414 357 M N 0.991 120.311 119.600 -0.467 0.000 2.149 357 M HA -0.196 4.285 4.480 0.001 0.000 0.261 357 M C 2.244 178.461 176.300 -0.138 0.000 1.064 357 M CA 1.837 56.932 55.300 -0.341 0.000 1.102 357 M CB -0.490 32.031 32.600 -0.133 0.000 1.369 357 M HN -0.019 nan 8.290 nan 0.000 0.408 358 R N -1.155 119.284 120.500 -0.101 0.000 2.120 358 R HA -0.095 4.246 4.340 0.001 0.000 0.234 358 R C 1.959 178.240 176.300 -0.031 0.000 1.123 358 R CA 1.469 57.544 56.100 -0.041 0.000 0.975 358 R CB -0.567 29.716 30.300 -0.029 0.000 0.866 358 R HN 0.334 nan 8.270 nan 0.000 0.446 359 V N -0.079 119.789 119.914 -0.076 0.000 2.307 359 V HA -0.266 3.855 4.120 0.001 0.000 0.245 359 V C 1.912 178.059 176.094 0.087 0.000 1.045 359 V CA 1.613 63.895 62.300 -0.029 0.000 1.024 359 V CB -0.783 30.994 31.823 -0.077 0.000 0.651 359 V HN 0.359 nan 8.190 nan 0.000 0.449 360 Y N 0.738 120.990 120.300 -0.080 0.000 2.139 360 Y HA -0.316 4.235 4.550 0.001 0.000 0.282 360 Y C 2.766 178.633 175.900 -0.055 0.000 1.179 360 Y CA 1.631 59.681 58.100 -0.082 0.000 1.161 360 Y CB -0.177 38.225 38.460 -0.097 0.000 0.970 360 Y HN 0.368 nan 8.280 nan 0.000 0.511 361 E N -0.416 119.864 120.200 0.133 0.000 2.072 361 E HA -0.135 4.216 4.350 0.001 0.000 0.190 361 E C 2.124 178.752 176.600 0.047 0.000 0.982 361 E CA 1.495 57.937 56.400 0.071 0.000 0.803 361 E CB -0.210 29.521 29.700 0.050 0.000 0.755 361 E HN 0.315 nan 8.360 nan 0.000 0.453 362 T N 0.799 115.377 114.554 0.039 0.000 2.653 362 T HA -0.170 4.181 4.350 0.001 0.000 0.268 362 T C 1.981 176.697 174.700 0.027 0.000 1.035 362 T CA 1.190 63.306 62.100 0.028 0.000 1.154 362 T CB -0.216 68.665 68.868 0.022 0.000 0.862 362 T HN -0.013 nan 8.240 nan 0.000 0.441 363 V N 1.241 121.176 119.914 0.034 0.000 2.788 363 V HA 0.042 4.163 4.120 0.001 0.000 0.251 363 V C 1.289 177.389 176.094 0.010 0.000 1.068 363 V CA 0.999 63.312 62.300 0.022 0.000 1.090 363 V CB -0.196 31.642 31.823 0.025 0.000 0.710 363 V HN 0.577 nan 8.190 nan 0.000 0.467 364 S N -0.795 114.913 115.700 0.012 0.000 2.681 364 S HA 0.812 5.283 4.470 0.001 0.000 0.299 364 S C -0.190 174.414 174.600 0.006 0.000 1.113 364 S CA -0.013 58.187 58.200 0.001 0.000 1.013 364 S CB 2.141 65.334 63.200 -0.013 0.000 1.076 364 S HN 0.413 nan 8.310 nan 0.000 0.534 365 G N -0.535 108.267 108.800 0.002 0.000 2.692 365 G HA2 0.673 4.634 3.960 0.001 0.000 0.291 365 G HA3 0.673 4.634 3.960 0.001 0.000 0.291 365 G C -0.448 174.453 174.900 0.001 0.000 1.423 365 G CA -0.564 44.538 45.100 0.004 0.000 0.843 365 G HN 1.371 nan 8.290 nan 0.000 0.486 366 A N -0.201 122.621 122.820 0.003 0.000 2.550 366 A HA 0.446 4.767 4.320 0.001 0.000 0.273 366 A C 1.715 179.297 177.584 -0.004 0.000 1.017 366 A CA 1.592 53.630 52.037 0.000 0.000 0.910 366 A CB -0.846 18.155 19.000 0.001 0.000 0.891 366 A HN 2.744 nan 8.150 nan 0.000 0.507 367 G N 1.964 110.759 108.800 -0.007 0.000 2.395 367 G HA2 -0.206 3.755 3.960 0.001 0.000 0.292 367 G HA3 -0.206 3.755 3.960 0.001 0.000 0.292 367 G C -0.120 174.771 174.900 -0.015 0.000 0.953 367 G CA 0.748 45.839 45.100 -0.014 0.000 1.207 367 G HN 1.087 nan 8.290 nan 0.000 0.503 368 I N 0.227 120.789 120.570 -0.014 0.000 2.406 368 I HA 0.712 4.883 4.170 0.001 0.000 0.290 368 I C 0.359 176.464 176.117 -0.020 0.000 0.999 368 I CA -0.025 61.266 61.300 -0.015 0.000 1.124 368 I CB 1.390 39.384 38.000 -0.010 0.000 1.289 368 I HN 0.390 nan 8.210 nan 0.000 0.441 369 K N 5.557 125.942 120.400 -0.026 0.000 2.267 369 K HA 0.761 5.082 4.320 0.001 0.000 0.246 369 K C -0.813 175.773 176.600 -0.023 0.000 0.954 369 K CA -0.599 55.669 56.287 -0.032 0.000 0.824 369 K CB 1.523 33.987 32.500 -0.059 0.000 1.167 369 K HN 0.381 nan 8.250 nan 0.000 0.431 370 V N 2.989 122.897 119.914 -0.009 0.000 2.599 370 V HA 0.166 4.287 4.120 0.001 0.000 0.300 370 V C 0.332 176.413 176.094 -0.021 0.000 1.034 370 V CA 0.065 62.369 62.300 0.006 0.000 1.115 370 V CB 0.297 32.156 31.823 0.060 0.000 0.934 370 V HN 0.917 nan 8.190 nan 0.000 0.485 371 Q N 2.328 122.122 119.800 -0.009 0.000 2.587 371 Q HA 0.618 4.959 4.340 0.001 0.000 0.293 371 Q C -1.278 174.726 176.000 0.007 0.000 1.083 371 Q CA -1.008 54.785 55.803 -0.017 0.000 0.792 371 Q CB 2.590 31.318 28.738 -0.017 0.000 1.484 371 Q HN 0.525 nan 8.270 nan 0.000 0.446 372 V N 1.119 121.037 119.914 0.008 0.000 2.583 372 V HA 0.152 4.273 4.120 0.001 0.000 0.287 372 V C 0.399 176.510 176.094 0.029 0.000 1.051 372 V CA -0.020 62.296 62.300 0.028 0.000 1.010 372 V CB 1.469 33.307 31.823 0.025 0.000 0.988 372 V HN 0.724 nan 8.190 nan 0.000 0.478 373 S N 0.000 115.726 115.700 0.043 0.000 2.498 373 S HA 0.000 4.471 4.470 0.001 0.000 0.327 373 S CA 0.000 58.227 58.200 0.046 0.000 1.107 373 S CB 0.000 63.242 63.200 0.071 0.000 0.593 373 S HN 0.000 nan 8.310 nan 0.000 0.517