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 1ikv_1_A DATA FIRST_RESID 1 DATA SEQUENCE PISPIETVPV KLKPGMDGPK VKQWPLTEEK IKALVEICTE MEKEGKISKI DATA SEQUENCE GPENPYNTPV FAIKKKDSTK WRKLVDFREL NKRTQDFWEV QLGIPHPAGL DATA SEQUENCE KKXKSVTVLD VGDAYFSVPL DEDFRKYTAF TIPSINNETP GIRYQYNVLP DATA SEQUENCE QGWKGSPAIF QSSMTKILEP FKKQNPDIVI YQYMDDLYVG SDLEIGQHRT DATA SEQUENCE KIEELRQHLL RWGLTTPDKK HQKEPPFLWM GYELHPDKWT VQPIVLPEKD DATA SEQUENCE SWTVNDIQKL VGKLNWASQI YPGIKVRQLC KLLRGTKALT EVIPLTEEAE DATA SEQUENCE LELAENREIL KEPVHGVYYD PSKDLIAEIQ KQGQGQWTYQ IYQEPFKNLK DATA SEQUENCE TGKYARMRGA HTNDVKQLTE AVQKITTESI VIWGKTPKFK LPIQKETWET DATA SEQUENCE WWTEYWQATW IPEWEFVNTP PLVKLWYQLE KEPIVGAETF YVDGAANRET DATA SEQUENCE KLGKAGYVTN KGRQKVVPLT NTTNQKTQLQ AIYLALQDSG LEVNIVTDSQ DATA SEQUENCE YALGIIQAQP DKSESELVNQ IIEQLIKKEK VYLAWVPAHK GIGGNEQVDK DATA SEQUENCE LVSAGIR 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 P HA 0.000 nan 4.420 nan 0.000 0.216 1 P C 0.000 177.362 177.300 0.104 0.000 1.155 1 P CA 0.000 63.150 63.100 0.084 0.000 0.800 1 P CB 0.000 31.749 31.700 0.081 0.000 0.726 2 I N -0.079 120.554 120.570 0.105 0.000 2.605 2 I HA 0.171 4.341 4.170 -0.000 0.000 0.268 2 I C -0.344 175.852 176.117 0.130 0.000 1.265 2 I CA -0.304 61.069 61.300 0.123 0.000 1.049 2 I CB 1.527 39.587 38.000 0.101 0.000 1.329 2 I HN 0.396 nan 8.210 nan 0.000 0.494 3 S N 6.963 122.767 115.700 0.173 0.000 2.953 3 S HA -0.000 4.470 4.470 -0.000 0.000 0.348 3 S C -0.670 174.055 174.600 0.208 0.000 1.215 3 S CA -0.345 57.991 58.200 0.226 0.000 1.019 3 S CB 0.660 64.036 63.200 0.294 0.000 0.726 3 S HN 0.502 nan 8.310 nan 0.000 0.503 4 P HA -0.135 nan 4.420 nan 0.000 0.218 4 P C 1.099 178.533 177.300 0.223 0.000 1.148 4 P CA 0.477 63.652 63.100 0.125 0.000 0.822 4 P CB -0.273 31.414 31.700 -0.021 0.000 0.784 5 I N 0.914 121.729 120.570 0.410 0.000 3.325 5 I HA -0.228 3.942 4.170 -0.000 0.000 0.354 5 I C 0.997 177.233 176.117 0.198 0.000 1.171 5 I CA 0.151 61.670 61.300 0.364 0.000 1.515 5 I CB 0.249 38.397 38.000 0.246 0.000 1.267 5 I HN 0.016 nan 8.210 nan 0.000 0.496 6 E N 5.711 126.007 120.200 0.161 0.000 2.485 6 E HA -0.028 4.322 4.350 -0.000 0.000 0.266 6 E C -0.430 176.227 176.600 0.094 0.000 1.090 6 E CA 0.519 56.986 56.400 0.111 0.000 0.987 6 E CB 0.520 30.273 29.700 0.088 0.000 0.974 6 E HN 0.564 nan 8.360 nan 0.000 0.455 7 T N -0.104 114.503 114.554 0.088 0.000 2.895 7 T HA 0.500 4.850 4.350 -0.000 0.000 0.283 7 T C -0.364 174.382 174.700 0.077 0.000 1.014 7 T CA -1.060 61.093 62.100 0.087 0.000 1.037 7 T CB 1.342 70.269 68.868 0.099 0.000 1.006 7 T HN 0.245 nan 8.240 nan 0.000 0.468 8 V N 5.179 125.138 119.914 0.076 0.000 2.427 8 V HA 0.297 4.417 4.120 -0.000 0.000 0.268 8 V C -1.639 174.511 176.094 0.093 0.000 1.046 8 V CA -1.583 60.763 62.300 0.077 0.000 0.970 8 V CB 0.225 32.093 31.823 0.076 0.000 1.001 8 V HN 0.825 nan 8.190 nan 0.000 0.476 9 P HA 0.263 nan 4.420 nan 0.000 0.271 9 P C -0.626 176.716 177.300 0.070 0.000 1.216 9 P CA 0.289 63.438 63.100 0.082 0.000 0.776 9 P CB 1.805 33.544 31.700 0.066 0.000 0.881 10 V N 1.436 121.379 119.914 0.048 0.000 3.159 10 V HA 0.869 4.989 4.120 -0.000 0.000 0.308 10 V C -1.124 174.947 176.094 -0.037 0.000 1.190 10 V CA -0.878 61.400 62.300 -0.037 0.000 1.037 10 V CB 2.604 34.409 31.823 -0.030 0.000 1.060 10 V HN 0.871 nan 8.190 nan 0.000 0.437 11 K N 2.615 122.976 120.400 -0.065 0.000 2.556 11 K HA 0.646 4.966 4.320 -0.000 0.000 0.289 11 K C -1.707 174.919 176.600 0.043 0.000 1.040 11 K CA -1.118 55.217 56.287 0.079 0.000 0.894 11 K CB 1.783 34.319 32.500 0.059 0.000 1.547 11 K HN 0.723 nan 8.250 nan 0.000 0.417 12 L N 1.348 122.582 121.223 0.018 0.000 2.399 12 L HA 0.412 4.752 4.340 -0.000 0.000 0.265 12 L C 0.069 176.923 176.870 -0.026 0.000 1.089 12 L CA -1.178 53.656 54.840 -0.009 0.000 0.802 12 L CB 0.800 42.794 42.059 -0.109 0.000 1.180 12 L HN 0.539 nan 8.230 nan 0.000 0.454 13 K N 2.021 122.409 120.400 -0.019 0.000 2.504 13 K HA -0.068 4.252 4.320 -0.000 0.000 0.278 13 K C -1.628 174.965 176.600 -0.012 0.000 1.025 13 K CA -0.825 55.448 56.287 -0.023 0.000 1.093 13 K CB 0.090 32.584 32.500 -0.009 0.000 0.873 13 K HN 0.318 nan 8.250 nan 0.000 0.483 14 P HA -0.266 nan 4.420 nan 0.000 0.218 14 P C 0.784 178.091 177.300 0.012 0.000 1.132 14 P CA 1.698 64.797 63.100 -0.001 0.000 0.968 14 P CB 0.011 31.709 31.700 -0.005 0.000 0.783 15 G N -1.395 107.414 108.800 0.014 0.000 3.471 15 G HA2 0.343 4.303 3.960 -0.000 0.000 0.254 15 G HA3 0.343 4.303 3.960 -0.000 0.000 0.254 15 G C 0.020 174.938 174.900 0.030 0.000 1.199 15 G CA 0.083 45.196 45.100 0.023 0.000 1.683 15 G HN 0.156 nan 8.290 nan 0.000 0.625 16 M N -0.434 119.184 119.600 0.030 0.000 2.569 16 M HA 0.344 4.824 4.480 -0.000 0.000 0.279 16 M C -1.888 174.436 176.300 0.040 0.000 1.253 16 M CA -0.859 54.464 55.300 0.038 0.000 0.867 16 M CB 2.796 35.414 32.600 0.031 0.000 1.727 16 M HN 0.122 nan 8.290 nan 0.000 0.467 17 D N -0.043 120.396 120.400 0.066 0.000 2.490 17 D HA 0.637 5.277 4.640 -0.000 0.000 0.232 17 D C 0.149 176.502 176.300 0.087 0.000 1.053 17 D CA 0.052 54.112 54.000 0.101 0.000 0.914 17 D CB 1.872 42.783 40.800 0.185 0.000 1.431 17 D HN 0.709 nan 8.370 nan 0.000 0.483 18 G N 1.031 109.861 108.800 0.050 0.000 2.945 18 G HA2 0.172 4.132 3.960 -0.000 0.000 0.248 18 G HA3 0.172 4.132 3.960 -0.000 0.000 0.248 18 G C -2.119 172.906 174.900 0.208 0.000 1.250 18 G CA -0.615 44.505 45.100 0.033 0.000 0.886 18 G HN 0.524 nan 8.290 nan 0.000 0.609 19 P HA 0.358 nan 4.420 nan 0.000 0.282 19 P C -0.869 176.581 177.300 0.251 0.000 1.259 19 P CA -0.466 62.764 63.100 0.217 0.000 0.826 19 P CB 1.485 33.307 31.700 0.203 0.000 1.064 20 K N 0.423 120.932 120.400 0.182 0.000 3.209 20 K HA 0.241 4.561 4.320 -0.000 0.000 0.202 20 K C -0.590 176.073 176.600 0.106 0.000 1.109 20 K CA -0.314 56.057 56.287 0.141 0.000 0.968 20 K CB 0.847 33.417 32.500 0.117 0.000 0.732 20 K HN 0.151 nan 8.250 nan 0.000 0.450 21 V N 1.903 121.884 119.914 0.111 0.000 2.572 21 V HA 0.050 4.170 4.120 -0.000 0.000 0.291 21 V C 0.534 176.679 176.094 0.085 0.000 1.039 21 V CA -0.338 62.022 62.300 0.100 0.000 1.055 21 V CB 0.571 32.454 31.823 0.101 0.000 0.969 21 V HN 0.226 nan 8.190 nan 0.000 0.482 22 K N 3.781 124.235 120.400 0.091 0.000 2.382 22 K HA 0.118 4.438 4.320 -0.000 0.000 0.275 22 K C -0.004 176.657 176.600 0.102 0.000 1.009 22 K CA 0.015 56.351 56.287 0.081 0.000 0.970 22 K CB 0.521 33.071 32.500 0.083 0.000 0.934 22 K HN 0.710 nan 8.250 nan 0.000 0.479 23 Q N 4.965 124.807 119.800 0.069 0.000 2.389 23 Q HA 0.089 4.429 4.340 -0.000 0.000 0.244 23 Q C -1.240 174.845 176.000 0.142 0.000 1.056 23 Q CA -0.252 55.595 55.803 0.073 0.000 0.908 23 Q CB 0.230 28.980 28.738 0.021 0.000 1.273 23 Q HN 0.601 nan 8.270 nan 0.000 0.471 24 W N 6.741 128.071 121.300 0.050 0.000 2.193 24 W HA 0.209 4.869 4.660 -0.000 0.000 0.338 24 W C -2.438 174.134 176.519 0.089 0.000 1.310 24 W CA -1.870 55.532 57.345 0.095 0.000 1.243 24 W CB 0.552 30.117 29.460 0.174 0.000 1.165 24 W HN 0.542 nan 8.180 nan 0.000 0.566 25 P HA 0.001 nan 4.420 nan 0.000 0.268 25 P C -0.535 176.889 177.300 0.206 0.000 1.204 25 P CA 0.136 63.218 63.100 -0.031 0.000 0.768 25 P CB 0.500 32.069 31.700 -0.218 0.000 0.842 26 L N 2.210 123.532 121.223 0.166 0.000 2.322 26 L HA 0.441 4.781 4.340 -0.000 0.000 0.269 26 L C 1.230 178.158 176.870 0.097 0.000 1.012 26 L CA -0.522 54.431 54.840 0.188 0.000 0.815 26 L CB 0.682 42.842 42.059 0.169 0.000 1.295 26 L HN 0.376 nan 8.230 nan 0.000 0.438 27 T N -2.064 112.545 114.554 0.093 0.000 2.663 27 T HA 0.061 4.411 4.350 -0.000 0.000 0.325 27 T C 1.067 175.768 174.700 0.001 0.000 1.059 27 T CA -0.238 61.893 62.100 0.052 0.000 1.039 27 T CB 0.734 69.643 68.868 0.069 0.000 0.996 27 T HN 0.598 nan 8.240 nan 0.000 0.539 28 E N 0.672 120.870 120.200 -0.004 0.000 2.106 28 E HA -0.149 4.201 4.350 -0.000 0.000 0.192 28 E C 2.241 178.798 176.600 -0.071 0.000 0.984 28 E CA 1.425 57.807 56.400 -0.029 0.000 0.806 28 E CB -0.091 29.602 29.700 -0.011 0.000 0.750 28 E HN 0.918 nan 8.360 nan 0.000 0.458 29 E N 1.599 121.759 120.200 -0.068 0.000 2.150 29 E HA -0.160 4.190 4.350 -0.000 0.000 0.193 29 E C 1.792 178.139 176.600 -0.421 0.000 0.985 29 E CA 0.822 57.141 56.400 -0.135 0.000 0.814 29 E CB -0.152 29.562 29.700 0.023 0.000 0.752 29 E HN 0.103 nan 8.360 nan 0.000 0.466 30 K N 0.845 121.009 120.400 -0.393 0.000 2.057 30 K HA -0.035 4.285 4.320 -0.000 0.000 0.206 30 K C 2.231 178.631 176.600 -0.334 0.000 1.050 30 K CA 1.323 57.296 56.287 -0.524 0.000 0.935 30 K CB -0.164 32.218 32.500 -0.197 0.000 0.715 30 K HN 0.152 nan 8.250 nan 0.000 0.439 31 I N 1.526 121.990 120.570 -0.177 0.000 2.286 31 I HA -0.299 3.871 4.170 -0.000 0.000 0.248 31 I C 2.576 178.617 176.117 -0.127 0.000 1.115 31 I CA 1.221 62.457 61.300 -0.107 0.000 1.392 31 I CB -0.277 37.686 38.000 -0.061 0.000 1.065 31 I HN 0.166 nan 8.210 nan 0.000 0.418 32 K N 1.631 121.935 120.400 -0.161 0.000 2.026 32 K HA -0.203 4.117 4.320 -0.000 0.000 0.208 32 K C 2.261 178.760 176.600 -0.168 0.000 1.048 32 K CA 1.528 57.734 56.287 -0.134 0.000 0.929 32 K CB -0.170 32.259 32.500 -0.119 0.000 0.713 32 K HN 0.263 nan 8.250 nan 0.000 0.439 33 A N 1.845 124.466 122.820 -0.331 0.000 1.859 33 A HA -0.216 4.104 4.320 -0.000 0.000 0.218 33 A C 2.176 179.675 177.584 -0.141 0.000 1.209 33 A CA 2.073 53.896 52.037 -0.357 0.000 0.639 33 A CB -1.094 17.400 19.000 -0.842 0.000 0.835 33 A HN 0.384 nan 8.150 nan 0.000 0.450 34 L N -0.379 120.773 121.223 -0.118 0.000 2.129 34 L HA -0.206 4.134 4.340 -0.000 0.000 0.212 34 L C 2.428 179.301 176.870 0.006 0.000 1.087 34 L CA 1.191 56.022 54.840 -0.014 0.000 0.757 34 L CB -0.731 41.340 42.059 0.020 0.000 0.896 34 L HN 0.294 nan 8.230 nan 0.000 0.434 35 V N -0.360 119.546 119.914 -0.013 0.000 2.379 35 V HA -0.196 3.924 4.120 -0.000 0.000 0.245 35 V C 2.274 178.373 176.094 0.007 0.000 1.044 35 V CA 1.592 63.899 62.300 0.011 0.000 1.036 35 V CB -0.433 31.388 31.823 -0.003 0.000 0.664 35 V HN 0.453 nan 8.190 nan 0.000 0.453 36 E N 0.141 120.337 120.200 -0.007 0.000 2.150 36 E HA -0.110 4.240 4.350 -0.000 0.000 0.193 36 E C 2.105 178.715 176.600 0.016 0.000 0.985 36 E CA 1.207 57.612 56.400 0.009 0.000 0.814 36 E CB -0.103 29.605 29.700 0.014 0.000 0.752 36 E HN 0.589 nan 8.360 nan 0.000 0.466 37 I N 0.370 120.949 120.570 0.015 0.000 2.235 37 I HA -0.222 3.948 4.170 -0.000 0.000 0.241 37 I C 2.411 178.512 176.117 -0.026 0.000 1.085 37 I CA 0.440 61.753 61.300 0.022 0.000 1.378 37 I CB -0.389 37.640 38.000 0.048 0.000 1.076 37 I HN 0.191 nan 8.210 nan 0.000 0.415 38 C N 0.792 120.054 119.300 -0.064 0.000 2.436 38 C HA -0.163 4.297 4.460 -0.000 0.000 0.277 38 C C 3.071 177.947 174.990 -0.190 0.000 1.241 38 C CA 1.637 60.518 59.018 -0.228 0.000 1.721 38 C CB -1.114 26.422 27.740 -0.340 0.000 2.043 38 C HN 0.509 nan 8.230 nan 0.000 0.472 39 T N 0.460 114.987 114.554 -0.044 0.000 2.721 39 T HA -0.247 4.103 4.350 -0.000 0.000 0.268 39 T C 1.650 176.344 174.700 -0.011 0.000 1.038 39 T CA 2.131 64.241 62.100 0.017 0.000 1.145 39 T CB -0.346 68.543 68.868 0.034 0.000 0.858 39 T HN 0.573 nan 8.240 nan 0.000 0.459 40 E N 1.013 121.201 120.200 -0.020 0.000 2.031 40 E HA -0.033 4.317 4.350 -0.000 0.000 0.193 40 E C 2.193 178.773 176.600 -0.032 0.000 0.994 40 E CA 1.345 57.739 56.400 -0.009 0.000 0.800 40 E CB -0.434 29.272 29.700 0.009 0.000 0.752 40 E HN 0.487 nan 8.360 nan 0.000 0.447 41 M N 0.287 119.842 119.600 -0.075 0.000 2.082 41 M HA -0.216 4.264 4.480 -0.000 0.000 0.258 41 M C 2.388 178.622 176.300 -0.111 0.000 1.069 41 M CA 2.136 57.365 55.300 -0.117 0.000 1.102 41 M CB -0.467 32.008 32.600 -0.209 0.000 1.336 41 M HN 0.229 nan 8.290 nan 0.000 0.404 42 E N 0.953 121.082 120.200 -0.119 0.000 2.097 42 E HA -0.290 4.059 4.350 -0.000 0.000 0.196 42 E C 1.941 178.537 176.600 -0.006 0.000 1.000 42 E CA 1.599 57.976 56.400 -0.039 0.000 0.804 42 E CB -0.141 29.595 29.700 0.060 0.000 0.740 42 E HN 0.416 nan 8.360 nan 0.000 0.454 43 K N -0.033 120.365 120.400 -0.004 0.000 2.362 43 K HA -0.127 4.193 4.320 -0.000 0.000 0.200 43 K C 1.502 178.104 176.600 0.004 0.000 1.046 43 K CA 1.164 57.454 56.287 0.006 0.000 0.952 43 K CB 0.190 32.695 32.500 0.009 0.000 0.753 43 K HN 0.157 nan 8.250 nan 0.000 0.466 44 E N -0.790 119.407 120.200 -0.006 0.000 2.250 44 E HA -0.000 4.350 4.350 -0.000 0.000 0.192 44 E C 1.321 177.923 176.600 0.003 0.000 0.986 44 E CA 1.006 57.408 56.400 0.002 0.000 0.849 44 E CB 0.408 30.106 29.700 -0.003 0.000 0.797 44 E HN 0.535 nan 8.360 nan 0.000 0.482 45 G N 1.583 110.377 108.800 -0.011 0.000 2.179 45 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.220 45 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.220 45 G C 1.027 175.918 174.900 -0.014 0.000 0.990 45 G CA 0.328 45.428 45.100 0.000 0.000 0.646 45 G HN 0.092 nan 8.290 nan 0.000 0.517 46 K N 0.381 120.744 120.400 -0.062 0.000 2.365 46 K HA 0.208 4.528 4.320 -0.000 0.000 0.199 46 K C 1.431 177.951 176.600 -0.133 0.000 1.045 46 K CA 1.499 57.718 56.287 -0.113 0.000 0.962 46 K CB -0.031 32.302 32.500 -0.279 0.000 0.759 46 K HN 0.920 nan 8.250 nan 0.000 0.469 47 I N -3.818 116.659 120.570 -0.155 0.000 3.006 47 I HA 0.414 4.584 4.170 -0.000 0.000 0.306 47 I C -1.008 175.106 176.117 -0.005 0.000 1.250 47 I CA -0.977 60.215 61.300 -0.180 0.000 0.996 47 I CB 2.517 40.261 38.000 -0.427 0.000 1.261 47 I HN -0.342 nan 8.210 nan 0.000 0.442 48 S N 1.425 117.185 115.700 0.100 0.000 2.569 48 S HA 0.486 4.956 4.470 -0.000 0.000 0.280 48 S C -0.917 173.743 174.600 0.100 0.000 1.111 48 S CA -0.980 57.291 58.200 0.120 0.000 0.887 48 S CB 2.232 65.455 63.200 0.038 0.000 1.095 48 S HN 0.503 nan 8.310 nan 0.000 0.476 49 K N 1.848 122.204 120.400 -0.074 0.000 2.270 49 K HA 0.540 4.860 4.320 -0.000 0.000 0.276 49 K C -0.232 176.236 176.600 -0.220 0.000 1.023 49 K CA -0.147 55.939 56.287 -0.335 0.000 0.955 49 K CB 0.423 32.709 32.500 -0.356 0.000 0.975 49 K HN 0.635 nan 8.250 nan 0.000 0.471 50 I N -2.283 118.129 120.570 -0.264 0.000 2.994 50 I HA 0.583 4.753 4.170 -0.000 0.000 0.306 50 I C -0.115 175.888 176.117 -0.190 0.000 1.195 50 I CA -1.022 60.171 61.300 -0.178 0.000 1.001 50 I CB 2.163 40.080 38.000 -0.137 0.000 1.244 50 I HN 0.570 nan 8.210 nan 0.000 0.437 51 G N 2.236 110.949 108.800 -0.144 0.000 2.557 51 G HA2 0.552 4.512 3.960 -0.000 0.000 0.302 51 G HA3 0.552 4.512 3.960 -0.000 0.000 0.302 51 G C -2.323 172.500 174.900 -0.128 0.000 1.311 51 G CA -1.621 43.398 45.100 -0.136 0.000 1.030 51 G HN 0.535 nan 8.290 nan 0.000 0.509 52 P HA 0.044 nan 4.420 nan 0.000 0.242 52 P C 0.084 177.317 177.300 -0.112 0.000 1.198 52 P CA 0.696 63.730 63.100 -0.109 0.000 0.756 52 P CB 0.121 31.764 31.700 -0.095 0.000 0.911 53 E N -0.648 119.486 120.200 -0.111 0.000 2.320 53 E HA 0.126 4.476 4.350 -0.000 0.000 0.234 53 E C 0.142 176.657 176.600 -0.141 0.000 1.290 53 E CA -0.118 56.214 56.400 -0.114 0.000 1.545 53 E CB -0.941 28.705 29.700 -0.091 0.000 1.379 53 E HN 0.007 nan 8.360 nan 0.000 0.437 54 N N 1.106 119.705 118.700 -0.168 0.000 2.675 54 N HA 0.160 4.900 4.740 -0.000 0.000 0.254 54 N C -2.279 173.056 175.510 -0.292 0.000 1.224 54 N CA -1.658 51.268 53.050 -0.207 0.000 0.777 54 N CB 1.271 39.688 38.487 -0.116 0.000 1.256 54 N HN -0.114 nan 8.380 nan 0.000 0.531 55 P HA -0.041 nan 4.420 nan 0.000 0.234 55 P C -0.707 176.325 177.300 -0.447 0.000 1.162 55 P CA 1.020 63.822 63.100 -0.495 0.000 0.759 55 P CB -0.222 31.118 31.700 -0.600 0.000 0.813 56 Y N 0.084 120.368 120.300 -0.027 0.000 2.353 56 Y HA 0.471 5.021 4.550 -0.000 0.000 0.340 56 Y C 0.554 176.467 175.900 0.022 0.000 0.972 56 Y CA -1.498 56.608 58.100 0.010 0.000 1.157 56 Y CB 0.265 38.716 38.460 -0.015 0.000 1.157 56 Y HN -0.213 nan 8.280 nan 0.000 0.495 57 N N 1.202 120.009 118.700 0.179 0.000 2.352 57 N HA 0.483 5.223 4.740 -0.000 0.000 0.291 57 N C -1.609 173.983 175.510 0.137 0.000 1.040 57 N CA -0.365 52.762 53.050 0.128 0.000 0.864 57 N CB 1.309 39.834 38.487 0.063 0.000 1.440 57 N HN 0.462 nan 8.380 nan 0.000 0.483 58 T N 4.151 118.790 114.554 0.143 0.000 2.786 58 T HA 0.460 4.810 4.350 -0.000 0.000 0.283 58 T C -2.583 172.110 174.700 -0.012 0.000 0.992 58 T CA -1.085 61.062 62.100 0.077 0.000 0.954 58 T CB 1.604 70.519 68.868 0.079 0.000 0.934 58 T HN 0.393 nan 8.240 nan 0.000 0.440 59 P HA 0.102 nan 4.420 nan 0.000 0.268 59 P C -0.992 176.060 177.300 -0.414 0.000 1.189 59 P CA -0.105 62.848 63.100 -0.246 0.000 0.771 59 P CB 0.441 31.992 31.700 -0.247 0.000 0.822 60 V N 2.261 121.828 119.914 -0.577 0.000 2.841 60 V HA 0.593 4.713 4.120 -0.000 0.000 0.310 60 V C -0.510 175.171 176.094 -0.689 0.000 1.090 60 V CA -0.378 61.637 62.300 -0.474 0.000 0.930 60 V CB 1.712 33.486 31.823 -0.082 0.000 1.014 60 V HN 0.347 nan 8.190 nan 0.000 0.425 61 F N 0.695 120.662 119.950 0.028 0.000 2.675 61 F HA 0.954 5.481 4.527 -0.000 0.000 0.324 61 F C 0.200 176.047 175.800 0.078 0.000 1.106 61 F CA -0.846 57.188 58.000 0.057 0.000 0.970 61 F CB 2.089 41.117 39.000 0.048 0.000 1.385 61 F HN 0.713 nan 8.300 nan 0.000 0.489 62 A N 1.237 124.278 122.820 0.369 0.000 2.520 62 A HA 0.844 5.164 4.320 -0.000 0.000 0.298 62 A C -1.885 175.980 177.584 0.469 0.000 1.051 62 A CA -0.565 51.680 52.037 0.347 0.000 0.690 62 A CB 1.772 20.909 19.000 0.229 0.000 1.281 62 A HN 0.803 nan 8.150 nan 0.000 0.402 63 I N 0.733 121.572 120.570 0.448 0.000 2.752 63 I HA 0.378 4.548 4.170 -0.000 0.000 0.295 63 I C -0.768 175.371 176.117 0.037 0.000 1.219 63 I CA -0.837 60.613 61.300 0.251 0.000 1.030 63 I CB 2.118 40.180 38.000 0.102 0.000 1.259 63 I HN 0.755 nan 8.210 nan 0.000 0.423 64 K N 5.914 126.083 120.400 -0.385 0.000 2.472 64 K HA 0.041 4.361 4.320 -0.000 0.000 0.280 64 K C -0.166 176.291 176.600 -0.238 0.000 1.028 64 K CA 0.199 56.143 56.287 -0.572 0.000 1.045 64 K CB 0.622 32.737 32.500 -0.642 0.000 0.902 64 K HN 0.412 nan 8.250 nan 0.000 0.478 65 K N 1.682 121.983 120.400 -0.165 0.000 2.731 65 K HA 0.092 4.412 4.320 -0.000 0.000 0.284 65 K C -0.117 176.428 176.600 -0.092 0.000 1.027 65 K CA -0.609 55.631 56.287 -0.078 0.000 1.040 65 K CB 0.441 32.927 32.500 -0.024 0.000 1.334 65 K HN 0.206 nan 8.250 nan 0.000 0.498 66 K N 2.522 122.887 120.400 -0.059 0.000 2.362 66 K HA -0.200 4.120 4.320 -0.000 0.000 0.261 66 K C -0.226 176.333 176.600 -0.068 0.000 1.195 66 K CA 1.236 57.490 56.287 -0.055 0.000 1.233 66 K CB -0.749 31.729 32.500 -0.036 0.000 0.795 66 K HN 0.764 nan 8.250 nan 0.000 0.498 67 D N 1.484 121.839 120.400 -0.075 0.000 2.758 67 D HA -0.259 4.381 4.640 -0.000 0.000 0.191 67 D C -0.540 175.693 176.300 -0.112 0.000 1.036 67 D CA 1.860 55.813 54.000 -0.079 0.000 1.030 67 D CB -0.797 39.969 40.800 -0.057 0.000 1.109 67 D HN 0.636 nan 8.370 nan 0.000 0.430 68 S N -4.025 111.584 115.700 -0.150 0.000 2.604 68 S HA -0.213 4.257 4.470 -0.000 0.000 0.265 68 S C 1.218 175.694 174.600 -0.206 0.000 1.402 68 S CA 1.867 59.922 58.200 -0.241 0.000 1.059 68 S CB -2.279 60.771 63.200 -0.250 0.000 1.330 68 S HN 0.707 nan 8.310 nan 0.000 0.710 69 T N 0.053 114.538 114.554 -0.115 0.000 2.595 69 T HA -0.015 4.335 4.350 -0.000 0.000 0.264 69 T C 0.628 175.304 174.700 -0.039 0.000 1.058 69 T CA 1.179 63.244 62.100 -0.059 0.000 1.166 69 T CB -0.218 68.634 68.868 -0.026 0.000 0.863 69 T HN 0.567 nan 8.240 nan 0.000 0.415 70 K N -0.177 120.206 120.400 -0.028 0.000 2.267 70 K HA 0.511 4.831 4.320 -0.000 0.000 0.246 70 K C -1.246 175.378 176.600 0.040 0.000 0.954 70 K CA -0.960 55.365 56.287 0.062 0.000 0.824 70 K CB 1.415 33.966 32.500 0.085 0.000 1.167 70 K HN 0.250 nan 8.250 nan 0.000 0.431 71 W N 1.280 122.599 121.300 0.031 0.000 2.253 71 W HA 0.410 5.070 4.660 -0.000 0.000 0.348 71 W C 0.545 177.089 176.519 0.041 0.000 1.229 71 W CA -0.236 57.131 57.345 0.037 0.000 1.335 71 W CB 0.628 30.115 29.460 0.045 0.000 1.165 71 W HN 0.388 nan 8.180 nan 0.000 0.631 72 R N 1.450 122.137 120.500 0.311 0.000 2.854 72 R HA 0.428 4.768 4.340 -0.000 0.000 0.271 72 R C -1.119 175.308 176.300 0.212 0.000 0.996 72 R CA -0.965 55.255 56.100 0.200 0.000 0.961 72 R CB 1.496 31.870 30.300 0.123 0.000 1.182 72 R HN 0.462 nan 8.270 nan 0.000 0.479 73 K N 4.002 124.497 120.400 0.159 0.000 2.464 73 K HA 0.209 4.529 4.320 -0.000 0.000 0.252 73 K C -1.326 175.336 176.600 0.103 0.000 1.000 73 K CA -0.646 55.718 56.287 0.129 0.000 0.951 73 K CB 0.870 33.425 32.500 0.092 0.000 1.183 73 K HN 0.401 nan 8.250 nan 0.000 0.445 74 L N 5.204 126.500 121.223 0.123 0.000 2.260 74 L HA 0.282 4.622 4.340 -0.000 0.000 0.289 74 L C -1.178 175.706 176.870 0.022 0.000 1.057 74 L CA -0.089 54.818 54.840 0.113 0.000 0.811 74 L CB 1.350 43.518 42.059 0.182 0.000 1.184 74 L HN 0.294 nan 8.230 nan 0.000 0.429 75 V N 4.933 124.792 119.914 -0.092 0.000 2.240 75 V HA 0.146 4.266 4.120 -0.000 0.000 0.265 75 V C -0.034 175.830 176.094 -0.383 0.000 1.073 75 V CA -0.636 61.428 62.300 -0.395 0.000 0.857 75 V CB 0.543 31.903 31.823 -0.772 0.000 1.114 75 V HN 0.827 nan 8.190 nan 0.000 0.469 76 D N 3.200 123.516 120.400 -0.141 0.000 2.422 76 D HA -0.059 4.581 4.640 -0.000 0.000 0.283 76 D C 0.702 176.980 176.300 -0.037 0.000 1.428 76 D CA 0.641 54.653 54.000 0.020 0.000 1.117 76 D CB -0.096 40.799 40.800 0.158 0.000 1.120 76 D HN 0.493 nan 8.370 nan 0.000 0.543 77 F N 1.995 122.019 119.950 0.124 0.000 2.780 77 F HA 0.127 4.654 4.527 -0.000 0.000 0.299 77 F C 2.233 178.131 175.800 0.162 0.000 1.146 77 F CA -0.312 57.779 58.000 0.151 0.000 1.428 77 F CB 0.102 39.223 39.000 0.201 0.000 1.115 77 F HN 0.272 nan 8.300 nan 0.000 0.583 78 R N 0.401 121.076 120.500 0.291 0.000 2.234 78 R HA -0.266 4.074 4.340 -0.000 0.000 0.262 78 R C 1.966 178.391 176.300 0.209 0.000 1.150 78 R CA 1.902 58.130 56.100 0.214 0.000 0.981 78 R CB -0.425 29.967 30.300 0.153 0.000 0.899 78 R HN 0.299 nan 8.270 nan 0.000 0.458 79 E N 0.498 120.825 120.200 0.212 0.000 2.015 79 E HA -0.158 4.192 4.350 -0.000 0.000 0.191 79 E C 2.014 178.751 176.600 0.228 0.000 0.991 79 E CA 0.800 57.315 56.400 0.192 0.000 0.802 79 E CB -0.431 29.371 29.700 0.170 0.000 0.759 79 E HN 0.146 nan 8.360 nan 0.000 0.447 80 L N 2.276 123.682 121.223 0.306 0.000 2.021 80 L HA -0.247 4.093 4.340 -0.000 0.000 0.215 80 L C 1.667 178.742 176.870 0.342 0.000 1.074 80 L CA 1.865 56.900 54.840 0.325 0.000 0.760 80 L CB -0.863 41.452 42.059 0.427 0.000 0.889 80 L HN 0.026 nan 8.230 nan 0.000 0.433 81 N N 0.454 119.374 118.700 0.367 0.000 2.018 81 N HA -0.236 4.504 4.740 -0.000 0.000 0.196 81 N C 1.747 177.363 175.510 0.176 0.000 1.043 81 N CA 1.932 55.147 53.050 0.276 0.000 0.856 81 N CB -0.424 38.191 38.487 0.214 0.000 1.042 81 N HN 0.428 nan 8.380 nan 0.000 0.423 82 K N 0.345 120.834 120.400 0.149 0.000 2.520 82 K HA -0.046 4.274 4.320 -0.000 0.000 0.197 82 K C 1.465 178.121 176.600 0.093 0.000 1.043 82 K CA 0.842 57.191 56.287 0.103 0.000 0.944 82 K CB 0.063 32.620 32.500 0.095 0.000 0.770 82 K HN 0.219 nan 8.250 nan 0.000 0.480 83 R N -0.634 119.937 120.500 0.119 0.000 2.373 83 R HA 0.092 4.431 4.340 -0.000 0.000 0.221 83 R C 0.271 176.628 176.300 0.096 0.000 0.893 83 R CA 0.045 56.199 56.100 0.089 0.000 1.049 83 R CB 0.722 31.070 30.300 0.080 0.000 1.119 83 R HN -0.014 nan 8.270 nan 0.000 0.535 84 T N 1.991 116.648 114.554 0.171 0.000 2.828 84 T HA 0.044 4.394 4.350 -0.000 0.000 0.290 84 T C 0.246 174.969 174.700 0.037 0.000 1.019 84 T CA -0.465 61.761 62.100 0.211 0.000 1.031 84 T CB 0.989 70.086 68.868 0.382 0.000 1.001 84 T HN 0.192 nan 8.240 nan 0.000 0.531 85 Q N 0.998 120.747 119.800 -0.085 0.000 2.368 85 Q HA 0.263 4.603 4.340 -0.000 0.000 0.237 85 Q C -0.849 174.921 176.000 -0.384 0.000 0.987 85 Q CA -0.747 54.898 55.803 -0.264 0.000 0.896 85 Q CB 0.515 29.008 28.738 -0.408 0.000 1.241 85 Q HN 0.407 nan 8.270 nan 0.000 0.485 86 D N 0.919 121.142 120.400 -0.295 0.000 2.362 86 D HA 0.262 4.902 4.640 -0.000 0.000 0.242 86 D C -0.808 175.263 176.300 -0.381 0.000 1.132 86 D CA 0.287 54.174 54.000 -0.188 0.000 0.907 86 D CB 0.500 41.253 40.800 -0.079 0.000 1.195 86 D HN 0.372 nan 8.370 nan 0.000 0.429 87 F N -0.261 119.650 119.950 -0.065 0.000 2.661 87 F HA 0.349 4.876 4.527 -0.000 0.000 0.347 87 F C 0.082 175.944 175.800 0.103 0.000 1.086 87 F CA -1.095 56.889 58.000 -0.026 0.000 1.016 87 F CB 1.140 40.063 39.000 -0.128 0.000 1.368 87 F HN 0.247 nan 8.300 nan 0.000 0.505 88 W N 2.768 124.146 121.300 0.131 0.000 2.331 88 W HA 0.222 4.882 4.660 -0.000 0.000 0.306 88 W C -0.222 176.315 176.519 0.031 0.000 1.162 88 W CA -0.780 56.593 57.345 0.045 0.000 1.232 88 W CB 0.781 30.255 29.460 0.024 0.000 1.235 88 W HN 0.411 nan 8.180 nan 0.000 0.479 89 E N 2.605 122.435 120.200 -0.616 0.000 2.696 89 E HA -0.131 4.219 4.350 -0.000 0.000 0.270 89 E C 1.019 177.341 176.600 -0.464 0.000 0.958 89 E CA 0.391 56.456 56.400 -0.558 0.000 0.964 89 E CB 1.341 30.643 29.700 -0.663 0.000 0.948 89 E HN 0.446 nan 8.360 nan 0.000 0.472 90 V N 2.788 122.546 119.914 -0.260 0.000 2.548 90 V HA -0.183 3.937 4.120 -0.000 0.000 0.249 90 V C 0.828 176.845 176.094 -0.129 0.000 1.055 90 V CA 1.612 63.813 62.300 -0.165 0.000 1.065 90 V CB -0.247 31.505 31.823 -0.119 0.000 0.681 90 V HN 0.528 nan 8.190 nan 0.000 0.462 91 Q N -1.038 118.678 119.800 -0.140 0.000 2.320 91 Q HA 0.474 4.814 4.340 -0.000 0.000 0.272 91 Q C -1.707 174.229 176.000 -0.106 0.000 1.023 91 Q CA -0.511 55.255 55.803 -0.062 0.000 0.855 91 Q CB 2.338 31.111 28.738 0.059 0.000 1.367 91 Q HN 0.138 nan 8.270 nan 0.000 0.406 92 L N 1.179 122.352 121.223 -0.083 0.000 3.083 92 L HA 0.677 5.017 4.340 -0.000 0.000 0.286 92 L C 0.099 176.960 176.870 -0.015 0.000 1.307 92 L CA -0.149 54.640 54.840 -0.085 0.000 0.897 92 L CB 1.433 43.420 42.059 -0.121 0.000 1.306 92 L HN 0.763 nan 8.230 nan 0.000 0.569 93 G N -0.266 108.545 108.800 0.018 0.000 2.345 93 G HA2 0.380 4.340 3.960 -0.000 0.000 0.310 93 G HA3 0.380 4.340 3.960 -0.000 0.000 0.310 93 G C -2.053 172.896 174.900 0.082 0.000 1.476 93 G CA -0.767 44.355 45.100 0.037 0.000 0.978 93 G HN -0.152 nan 8.290 nan 0.000 0.656 94 I N 0.858 121.471 120.570 0.071 0.000 2.608 94 I HA 0.490 4.660 4.170 -0.000 0.000 0.295 94 I C -2.043 174.089 176.117 0.025 0.000 1.049 94 I CA -2.557 58.810 61.300 0.112 0.000 1.063 94 I CB 1.494 39.561 38.000 0.113 0.000 1.248 94 I HN 0.285 nan 8.210 nan 0.000 0.424 95 P HA 0.147 nan 4.420 nan 0.000 0.268 95 P C -0.495 176.692 177.300 -0.189 0.000 1.204 95 P CA 0.113 63.070 63.100 -0.238 0.000 0.768 95 P CB 0.314 31.657 31.700 -0.596 0.000 0.842 96 H N 4.461 123.326 119.070 -0.343 0.000 2.489 96 H HA 0.175 4.731 4.556 -0.000 0.000 0.322 96 H C -1.755 173.200 175.328 -0.622 0.000 1.091 96 H CA -2.155 53.622 56.048 -0.452 0.000 1.291 96 H CB 1.331 30.810 29.762 -0.472 0.000 1.436 96 H HN 0.217 nan 8.280 nan 0.000 0.480 97 P HA -0.181 nan 4.420 nan 0.000 0.216 97 P C 1.040 177.967 177.300 -0.622 0.000 1.154 97 P CA 2.258 64.793 63.100 -0.941 0.000 0.865 97 P CB 0.031 30.737 31.700 -1.656 0.000 0.789 98 A N -0.796 121.721 122.820 -0.505 0.000 2.178 98 A HA 0.001 4.321 4.320 -0.000 0.000 0.218 98 A C 2.093 179.793 177.584 0.195 0.000 1.157 98 A CA 1.689 53.715 52.037 -0.020 0.000 0.689 98 A CB -1.419 17.639 19.000 0.097 0.000 0.787 98 A HN 0.336 nan 8.150 nan 0.000 0.465 99 G N -1.198 107.554 108.800 -0.081 0.000 3.277 99 G HA2 0.432 4.391 3.960 -0.000 0.000 0.243 99 G HA3 0.432 4.391 3.960 -0.000 0.000 0.243 99 G C 0.261 175.201 174.900 0.067 0.000 1.107 99 G CA -0.356 44.686 45.100 -0.097 0.000 0.771 99 G HN 0.342 nan 8.290 nan 0.000 0.544 100 L N 0.776 122.020 121.223 0.034 0.000 2.350 100 L HA 0.395 4.735 4.340 -0.000 0.000 0.275 100 L C -0.012 176.834 176.870 -0.040 0.000 1.099 100 L CA -0.774 54.003 54.840 -0.105 0.000 0.808 100 L CB 1.361 43.223 42.059 -0.329 0.000 1.149 100 L HN -0.112 nan 8.230 nan 0.000 0.442 101 K N 3.250 123.589 120.400 -0.102 0.000 2.276 101 K HA 0.133 4.453 4.320 -0.000 0.000 0.283 101 K C 0.158 176.605 176.600 -0.255 0.000 1.044 101 K CA -0.370 55.869 56.287 -0.079 0.000 0.944 101 K CB 0.709 33.169 32.500 -0.067 0.000 1.012 101 K HN 0.295 nan 8.250 nan 0.000 0.472 105 S N 1.022 116.599 115.700 -0.206 0.000 2.478 105 S HA 0.564 5.034 4.470 -0.000 0.000 0.312 105 S C -1.421 172.942 174.600 -0.394 0.000 1.094 105 S CA -0.594 57.339 58.200 -0.445 0.000 1.081 105 S CB 2.102 64.728 63.200 -0.957 0.000 1.007 105 S HN 0.189 nan 8.310 nan 0.000 0.475 106 V N 4.037 123.891 119.914 -0.101 0.000 2.686 106 V HA 0.894 5.014 4.120 -0.000 0.000 0.306 106 V C -0.654 175.649 176.094 0.348 0.000 1.065 106 V CA -0.127 62.263 62.300 0.149 0.000 0.894 106 V CB 1.787 33.691 31.823 0.134 0.000 1.004 106 V HN 1.009 nan 8.190 nan 0.000 0.424 107 T N 3.035 117.824 114.554 0.391 0.000 2.896 107 T HA 0.715 5.065 4.350 -0.000 0.000 0.297 107 T C -1.246 173.594 174.700 0.234 0.000 1.108 107 T CA -0.599 61.700 62.100 0.332 0.000 1.004 107 T CB 1.678 70.676 68.868 0.217 0.000 1.159 107 T HN 1.348 nan 8.240 nan 0.000 0.499 108 V N 3.662 123.692 119.914 0.193 0.000 2.376 108 V HA 0.570 4.690 4.120 -0.000 0.000 0.287 108 V C -0.900 175.141 176.094 -0.089 0.000 1.015 108 V CA -1.016 61.272 62.300 -0.020 0.000 0.834 108 V CB 0.642 32.436 31.823 -0.049 0.000 1.001 108 V HN 0.916 nan 8.190 nan 0.000 0.428 109 L N 7.032 128.169 121.223 -0.143 0.000 2.312 109 L HA 0.590 4.930 4.340 -0.000 0.000 0.281 109 L C -0.060 176.770 176.870 -0.066 0.000 1.070 109 L CA -0.410 54.362 54.840 -0.113 0.000 0.805 109 L CB 1.341 43.310 42.059 -0.150 0.000 1.174 109 L HN 0.713 nan 8.230 nan 0.000 0.434 110 D N 2.973 123.362 120.400 -0.019 0.000 2.425 110 D HA 0.178 4.818 4.640 -0.000 0.000 0.240 110 D C -0.455 175.850 176.300 0.008 0.000 1.080 110 D CA -0.567 53.429 54.000 -0.006 0.000 0.836 110 D CB 2.160 42.959 40.800 -0.001 0.000 1.125 110 D HN 0.117 nan 8.370 nan 0.000 0.525 111 V N 2.782 122.710 119.914 0.023 0.000 2.441 111 V HA 0.179 4.299 4.120 -0.000 0.000 0.279 111 V C 1.486 177.573 176.094 -0.012 0.000 0.990 111 V CA 0.249 62.573 62.300 0.040 0.000 1.116 111 V CB 0.218 32.114 31.823 0.121 0.000 0.977 111 V HN 0.679 nan 8.190 nan 0.000 0.470 112 G N 3.573 112.378 108.800 0.008 0.000 2.361 112 G HA2 0.292 4.252 3.960 -0.000 0.000 0.260 112 G HA3 0.292 4.252 3.960 -0.000 0.000 0.260 112 G C 0.242 175.137 174.900 -0.009 0.000 1.261 112 G CA -0.230 44.866 45.100 -0.007 0.000 0.897 112 G HN 0.862 nan 8.290 nan 0.000 0.499 113 D N 0.704 121.068 120.400 -0.060 0.000 2.737 113 D HA -0.212 4.428 4.640 -0.000 0.000 0.238 113 D C 1.575 177.841 176.300 -0.057 0.000 1.157 113 D CA 0.865 54.831 54.000 -0.058 0.000 0.694 113 D CB -0.823 40.033 40.800 0.093 0.000 1.021 113 D HN 0.643 nan 8.370 nan 0.000 0.420 114 A N 0.335 123.025 122.820 -0.218 0.000 1.829 114 A HA -0.228 4.092 4.320 -0.000 0.000 0.216 114 A C 1.982 179.491 177.584 -0.124 0.000 1.207 114 A CA 1.807 53.658 52.037 -0.309 0.000 0.622 114 A CB -1.070 17.353 19.000 -0.960 0.000 0.846 114 A HN 0.602 nan 8.150 nan 0.000 0.447 115 Y N -1.320 118.704 120.300 -0.460 0.000 2.173 115 Y HA -0.311 4.239 4.550 -0.000 0.000 0.282 115 Y C 2.334 178.312 175.900 0.131 0.000 1.192 115 Y CA 1.276 59.249 58.100 -0.211 0.000 1.176 115 Y CB -0.421 37.850 38.460 -0.316 0.000 0.969 115 Y HN 0.374 nan 8.280 nan 0.000 0.519 116 F N -1.684 118.341 119.950 0.125 0.000 2.615 116 F HA -0.103 4.424 4.527 -0.000 0.000 0.297 116 F C 1.909 177.778 175.800 0.115 0.000 1.124 116 F CA -0.032 58.038 58.000 0.117 0.000 1.451 116 F CB 0.007 39.067 39.000 0.100 0.000 1.103 116 F HN -0.155 nan 8.300 nan 0.000 0.569 117 S N 0.187 116.063 115.700 0.293 0.000 2.710 117 S HA 0.144 4.614 4.470 -0.000 0.000 0.224 117 S C 0.118 174.859 174.600 0.236 0.000 0.948 117 S CA 0.106 58.444 58.200 0.230 0.000 0.949 117 S CB -0.050 63.269 63.200 0.199 0.000 0.778 117 S HN -0.111 nan 8.310 nan 0.000 0.498 118 V N 4.022 124.085 119.914 0.249 0.000 2.638 118 V HA 0.387 4.507 4.120 -0.000 0.000 0.306 118 V C -2.311 173.895 176.094 0.186 0.000 1.052 118 V CA -2.208 60.227 62.300 0.224 0.000 0.885 118 V CB 2.337 34.316 31.823 0.260 0.000 0.999 118 V HN 0.076 nan 8.190 nan 0.000 0.424 119 P HA 0.164 nan 4.420 nan 0.000 0.270 119 P C -1.080 176.298 177.300 0.130 0.000 1.223 119 P CA -0.238 62.945 63.100 0.138 0.000 0.785 119 P CB 1.295 33.071 31.700 0.127 0.000 0.923 120 L N 1.396 122.695 121.223 0.126 0.000 2.362 120 L HA 0.439 4.779 4.340 -0.000 0.000 0.275 120 L C -0.472 176.480 176.870 0.138 0.000 0.998 120 L CA -0.874 54.039 54.840 0.123 0.000 0.820 120 L CB 0.995 43.119 42.059 0.108 0.000 1.270 120 L HN 0.229 nan 8.230 nan 0.000 0.415 121 D N 2.999 123.486 120.400 0.144 0.000 2.662 121 D HA -0.084 4.556 4.640 -0.000 0.000 0.233 121 D C 0.987 177.402 176.300 0.192 0.000 1.129 121 D CA 0.898 54.992 54.000 0.158 0.000 0.851 121 D CB 0.875 41.771 40.800 0.160 0.000 1.152 121 D HN 0.731 nan 8.370 nan 0.000 0.507 122 E N 2.537 122.826 120.200 0.148 0.000 2.021 122 E HA -0.226 4.124 4.350 -0.000 0.000 0.200 122 E C 1.095 177.784 176.600 0.149 0.000 1.015 122 E CA 1.461 57.938 56.400 0.129 0.000 0.824 122 E CB -0.063 29.693 29.700 0.093 0.000 0.762 122 E HN 0.613 nan 8.360 nan 0.000 0.454 123 D N -0.564 119.933 120.400 0.161 0.000 2.421 123 D HA -0.157 4.483 4.640 -0.000 0.000 0.223 123 D C 1.101 177.576 176.300 0.293 0.000 0.979 123 D CA 0.769 54.877 54.000 0.179 0.000 0.959 123 D CB -0.172 40.734 40.800 0.177 0.000 0.874 123 D HN 0.155 nan 8.370 nan 0.000 0.513 124 F N -0.032 120.014 119.950 0.159 0.000 2.680 124 F HA 0.194 4.721 4.527 -0.000 0.000 0.290 124 F C 1.955 177.864 175.800 0.181 0.000 1.114 124 F CA -0.245 57.920 58.000 0.276 0.000 1.333 124 F CB 0.363 39.463 39.000 0.166 0.000 1.091 124 F HN -0.294 nan 8.300 nan 0.000 0.606 125 R N 1.364 121.943 120.500 0.132 0.000 2.140 125 R HA -0.259 4.081 4.340 -0.000 0.000 0.250 125 R C 1.944 178.191 176.300 -0.088 0.000 1.150 125 R CA 2.358 58.485 56.100 0.045 0.000 0.966 125 R CB -0.695 29.653 30.300 0.079 0.000 0.869 125 R HN 0.372 nan 8.270 nan 0.000 0.445 126 K N -0.488 119.786 120.400 -0.210 0.000 2.442 126 K HA -0.186 4.134 4.320 -0.000 0.000 0.200 126 K C 0.996 177.341 176.600 -0.424 0.000 1.045 126 K CA 1.584 57.697 56.287 -0.290 0.000 0.937 126 K CB -0.205 32.094 32.500 -0.336 0.000 0.757 126 K HN 0.310 nan 8.250 nan 0.000 0.474 127 Y N 1.832 121.903 120.300 -0.380 0.000 2.476 127 Y HA -0.001 4.549 4.550 -0.000 0.000 0.283 127 Y C 1.666 177.461 175.900 -0.175 0.000 1.109 127 Y CA 0.793 58.606 58.100 -0.477 0.000 1.246 127 Y CB 0.152 38.019 38.460 -0.988 0.000 1.068 127 Y HN 0.153 nan 8.280 nan 0.000 0.552 128 T N -1.120 113.450 114.554 0.027 0.000 3.341 128 T HA 0.605 4.955 4.350 -0.000 0.000 0.234 128 T C 0.234 175.195 174.700 0.435 0.000 0.890 128 T CA -0.312 61.970 62.100 0.303 0.000 0.952 128 T CB -0.693 68.354 68.868 0.298 0.000 1.146 128 T HN 0.182 nan 8.240 nan 0.000 0.591 129 A N 2.221 125.223 122.820 0.305 0.000 2.249 129 A HA 0.692 5.012 4.320 -0.000 0.000 0.314 129 A C -0.094 177.668 177.584 0.296 0.000 1.290 129 A CA -1.001 51.189 52.037 0.254 0.000 0.893 129 A CB 0.051 19.113 19.000 0.104 0.000 1.165 129 A HN 0.644 nan 8.150 nan 0.000 0.530 130 F N 1.089 121.072 119.950 0.055 0.000 2.656 130 F HA 0.938 5.465 4.527 -0.000 0.000 0.394 130 F C 0.211 176.014 175.800 0.004 0.000 1.168 130 F CA -0.920 57.084 58.000 0.006 0.000 1.135 130 F CB 0.628 39.608 39.000 -0.033 0.000 1.480 130 F HN 0.469 nan 8.300 nan 0.000 0.500 131 T N -1.215 113.344 114.554 0.008 0.000 2.982 131 T HA 0.628 4.978 4.350 -0.000 0.000 0.321 131 T C -1.109 173.586 174.700 -0.010 0.000 1.229 131 T CA -0.632 61.401 62.100 -0.112 0.000 1.044 131 T CB 1.214 70.034 68.868 -0.080 0.000 1.184 131 T HN 0.710 nan 8.240 nan 0.000 0.477 132 I N 2.817 123.365 120.570 -0.037 0.000 2.297 132 I HA 0.347 4.517 4.170 -0.000 0.000 0.291 132 I C -2.321 173.785 176.117 -0.018 0.000 1.033 132 I CA -2.372 58.935 61.300 0.011 0.000 1.253 132 I CB 0.974 38.994 38.000 0.033 0.000 1.396 132 I HN 0.366 nan 8.210 nan 0.000 0.476 133 P HA 0.010 nan 4.420 nan 0.000 0.270 133 P C -0.600 176.684 177.300 -0.027 0.000 1.227 133 P CA -0.224 62.865 63.100 -0.018 0.000 0.788 133 P CB 0.496 32.197 31.700 0.002 0.000 0.926 134 S N 0.579 116.258 115.700 -0.035 0.000 2.640 134 S HA 0.410 4.880 4.470 -0.000 0.000 0.320 134 S C 0.167 174.746 174.600 -0.035 0.000 1.097 134 S CA -0.875 57.303 58.200 -0.037 0.000 1.092 134 S CB -0.420 62.754 63.200 -0.044 0.000 0.988 134 S HN 0.355 nan 8.310 nan 0.000 0.470 135 I N 2.590 123.143 120.570 -0.029 0.000 2.731 135 I HA -0.335 3.835 4.170 -0.000 0.000 0.128 135 I C 0.165 176.265 176.117 -0.030 0.000 0.883 135 I CA 0.808 62.093 61.300 -0.025 0.000 2.781 135 I CB -1.784 36.202 38.000 -0.023 0.000 0.553 135 I HN 0.978 nan 8.210 nan 0.000 0.352 136 N N 3.462 122.141 118.700 -0.034 0.000 2.765 136 N HA -0.168 4.572 4.740 -0.000 0.000 0.254 136 N C -0.199 175.274 175.510 -0.062 0.000 1.094 136 N CA 0.187 53.207 53.050 -0.050 0.000 0.680 136 N CB -0.746 37.717 38.487 -0.041 0.000 0.902 136 N HN 0.754 nan 8.380 nan 0.000 0.557 137 N N -0.148 118.511 118.700 -0.068 0.000 2.702 137 N HA -0.210 4.530 4.740 -0.000 0.000 0.261 137 N C 0.496 175.970 175.510 -0.059 0.000 0.965 137 N CA 1.523 54.531 53.050 -0.070 0.000 0.795 137 N CB -0.150 38.281 38.487 -0.092 0.000 0.909 137 N HN 0.710 nan 8.380 nan 0.000 0.546 138 E N -0.434 119.736 120.200 -0.051 0.000 2.205 138 E HA 0.095 4.445 4.350 -0.000 0.000 0.219 138 E C 0.347 176.919 176.600 -0.047 0.000 0.948 138 E CA 0.165 56.538 56.400 -0.046 0.000 0.993 138 E CB -0.047 29.629 29.700 -0.039 0.000 1.441 138 E HN 0.241 nan 8.360 nan 0.000 0.511 139 T N 3.466 117.993 114.554 -0.045 0.000 2.788 139 T HA -0.052 4.298 4.350 -0.000 0.000 0.333 139 T C -1.585 173.082 174.700 -0.056 0.000 1.090 139 T CA -0.753 61.317 62.100 -0.049 0.000 1.094 139 T CB 0.275 69.114 68.868 -0.048 0.000 0.999 139 T HN 0.200 nan 8.240 nan 0.000 0.549 140 P HA 0.096 nan 4.420 nan 0.000 0.213 140 P C 0.703 177.957 177.300 -0.076 0.000 1.170 140 P CA 1.247 64.305 63.100 -0.070 0.000 0.889 140 P CB -0.123 31.530 31.700 -0.078 0.000 0.782 141 G N -0.605 108.143 108.800 -0.086 0.000 2.362 141 G HA2 0.085 4.045 3.960 -0.000 0.000 0.656 141 G HA3 0.085 4.045 3.960 -0.000 0.000 0.656 141 G C -1.317 173.502 174.900 -0.136 0.000 1.376 141 G CA -0.811 44.233 45.100 -0.093 0.000 0.971 141 G HN 0.079 nan 8.290 nan 0.000 0.636 142 I N 1.183 121.663 120.570 -0.151 0.000 2.337 142 I HA 0.336 4.506 4.170 -0.000 0.000 0.291 142 I C 1.077 176.983 176.117 -0.352 0.000 1.046 142 I CA -0.210 60.933 61.300 -0.261 0.000 1.324 142 I CB 0.964 38.828 38.000 -0.226 0.000 1.409 142 I HN 0.400 nan 8.210 nan 0.000 0.494 143 R N 5.683 125.930 120.500 -0.420 0.000 2.297 143 R HA 0.500 4.840 4.340 -0.000 0.000 0.308 143 R C -1.370 174.568 176.300 -0.604 0.000 1.029 143 R CA -0.474 55.375 56.100 -0.419 0.000 0.929 143 R CB 1.347 31.478 30.300 -0.283 0.000 1.046 143 R HN 0.372 nan 8.270 nan 0.000 0.461 144 Y N 0.594 120.517 120.300 -0.628 0.000 2.545 144 Y HA 0.209 4.759 4.550 -0.000 0.000 0.348 144 Y C 0.030 175.666 175.900 -0.439 0.000 1.002 144 Y CA -0.763 56.956 58.100 -0.634 0.000 1.039 144 Y CB 2.270 40.144 38.460 -0.976 0.000 1.271 144 Y HN 0.525 nan 8.280 nan 0.000 0.467 145 Q N 0.255 120.069 119.800 0.023 0.000 2.528 145 Q HA 0.597 4.937 4.340 -0.000 0.000 0.289 145 Q C -2.091 173.949 176.000 0.068 0.000 1.091 145 Q CA -1.005 54.863 55.803 0.109 0.000 0.797 145 Q CB 2.291 31.063 28.738 0.057 0.000 1.466 145 Q HN 0.608 nan 8.270 nan 0.000 0.436 146 Y N 0.701 121.101 120.300 0.167 0.000 2.387 146 Y HA 0.378 4.928 4.550 -0.000 0.000 0.330 146 Y C 0.347 176.281 175.900 0.057 0.000 1.133 146 Y CA -0.369 57.794 58.100 0.105 0.000 1.152 146 Y CB 1.715 40.229 38.460 0.091 0.000 1.215 146 Y HN 0.747 nan 8.280 nan 0.000 0.466 147 N N 0.660 119.505 118.700 0.242 0.000 2.159 147 N HA 0.120 4.860 4.740 -0.000 0.000 0.217 147 N C -0.673 174.934 175.510 0.162 0.000 1.223 147 N CA 0.387 53.531 53.050 0.156 0.000 0.896 147 N CB 1.197 39.742 38.487 0.098 0.000 1.064 147 N HN 0.346 nan 8.380 nan 0.000 0.518 148 V N -2.327 117.711 119.914 0.208 0.000 3.158 148 V HA 0.565 4.685 4.120 -0.000 0.000 0.311 148 V C -0.143 176.038 176.094 0.145 0.000 1.181 148 V CA -1.194 61.215 62.300 0.183 0.000 1.054 148 V CB 1.498 33.437 31.823 0.194 0.000 1.085 148 V HN -0.130 nan 8.190 nan 0.000 0.446 149 L N 2.196 123.515 121.223 0.160 0.000 2.562 149 L HA 0.314 4.653 4.340 -0.000 0.000 0.271 149 L C -2.115 174.787 176.870 0.055 0.000 1.167 149 L CA -1.025 53.857 54.840 0.070 0.000 0.917 149 L CB -0.132 41.931 42.059 0.007 0.000 1.187 149 L HN 0.484 nan 8.230 nan 0.000 0.482 150 P HA 0.024 nan 4.420 nan 0.000 0.271 150 P C -0.339 177.002 177.300 0.070 0.000 1.244 150 P CA -0.367 62.508 63.100 -0.375 0.000 0.793 150 P CB 0.583 31.852 31.700 -0.720 0.000 0.984 151 Q N 0.660 120.593 119.800 0.222 0.000 1.447 151 Q HA 0.094 4.434 4.340 -0.000 0.000 0.583 151 Q C 1.752 177.911 176.000 0.266 0.000 0.915 151 Q CA 1.185 57.144 55.803 0.260 0.000 0.902 151 Q CB -1.750 27.077 28.738 0.148 0.000 0.981 151 Q HN 0.485 nan 8.270 nan 0.000 0.359 152 G N 0.017 108.996 108.800 0.298 0.000 3.058 152 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.228 152 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.228 152 G C -1.108 173.934 174.900 0.237 0.000 0.914 152 G CA -0.177 45.091 45.100 0.279 0.000 1.822 152 G HN 0.281 nan 8.290 nan 0.000 0.567 153 W N 0.272 121.462 121.300 -0.184 0.000 2.573 153 W HA 0.501 5.161 4.660 -0.000 0.000 0.326 153 W C 1.094 177.470 176.519 -0.238 0.000 1.049 153 W CA -1.877 55.258 57.345 -0.349 0.000 1.220 153 W CB 0.976 30.057 29.460 -0.630 0.000 1.373 153 W HN 0.083 nan 8.180 nan 0.000 0.507 154 K N 2.535 122.450 120.400 -0.809 0.000 2.090 154 K HA -0.222 4.098 4.320 -0.000 0.000 0.218 154 K C 1.580 177.540 176.600 -1.067 0.000 1.055 154 K CA 2.201 58.029 56.287 -0.766 0.000 0.941 154 K CB -0.518 31.664 32.500 -0.530 0.000 0.722 154 K HN 0.679 nan 8.250 nan 0.000 0.458 155 G N -1.079 106.538 108.800 -1.972 0.000 3.371 155 G HA2 0.030 3.990 3.960 -0.000 0.000 0.248 155 G HA3 0.030 3.990 3.960 -0.000 0.000 0.248 155 G C 0.853 175.020 174.900 -1.222 0.000 1.161 155 G CA -0.209 43.667 45.100 -2.040 0.000 0.796 155 G HN 0.102 nan 8.290 nan 0.000 0.539 156 S N 1.414 116.607 115.700 -0.845 0.000 2.395 156 S HA -0.018 4.452 4.470 -0.000 0.000 0.225 156 S C -0.225 173.903 174.600 -0.787 0.000 1.027 156 S CA 0.865 58.612 58.200 -0.756 0.000 0.965 156 S CB -0.252 62.382 63.200 -0.943 0.000 0.812 156 S HN 0.293 nan 8.310 nan 0.000 0.482 157 P HA 0.125 nan 4.420 nan 0.000 0.218 157 P C 1.407 178.603 177.300 -0.173 0.000 1.152 157 P CA 1.035 64.040 63.100 -0.159 0.000 0.826 157 P CB -0.064 31.582 31.700 -0.089 0.000 0.790 158 A N -0.118 122.493 122.820 -0.348 0.000 1.858 158 A HA -0.163 4.157 4.320 -0.000 0.000 0.216 158 A C 2.190 179.628 177.584 -0.243 0.000 1.190 158 A CA 1.565 53.415 52.037 -0.311 0.000 0.617 158 A CB -1.661 17.040 19.000 -0.498 0.000 0.827 158 A HN 0.087 nan 8.150 nan 0.000 0.443 159 I N -1.696 118.679 120.570 -0.325 0.000 2.439 159 I HA -0.154 4.016 4.170 -0.000 0.000 0.251 159 I C 2.321 178.383 176.117 -0.091 0.000 1.139 159 I CA 1.083 62.275 61.300 -0.180 0.000 1.438 159 I CB -0.296 37.603 38.000 -0.168 0.000 1.085 159 I HN 0.451 nan 8.210 nan 0.000 0.427 160 F N 1.996 121.821 119.950 -0.209 0.000 2.113 160 F HA -0.205 4.322 4.527 -0.000 0.000 0.297 160 F C 2.594 178.350 175.800 -0.074 0.000 1.103 160 F CA 1.611 59.545 58.000 -0.110 0.000 1.248 160 F CB -0.388 38.577 39.000 -0.059 0.000 0.999 160 F HN -0.014 nan 8.300 nan 0.000 0.475 161 Q N 0.072 119.666 119.800 -0.343 0.000 2.084 161 Q HA -0.186 4.154 4.340 -0.000 0.000 0.202 161 Q C 2.600 178.415 176.000 -0.309 0.000 0.978 161 Q CA 1.641 57.207 55.803 -0.395 0.000 0.844 161 Q CB -1.118 27.517 28.738 -0.172 0.000 0.898 161 Q HN 0.508 nan 8.270 nan 0.000 0.426 162 S N 0.383 115.965 115.700 -0.197 0.000 2.365 162 S HA -0.164 4.306 4.470 -0.000 0.000 0.225 162 S C 2.094 176.589 174.600 -0.175 0.000 1.039 162 S CA 1.801 59.921 58.200 -0.133 0.000 1.033 162 S CB 0.003 63.160 63.200 -0.071 0.000 0.887 162 S HN 0.371 nan 8.310 nan 0.000 0.447 163 S N 1.391 116.963 115.700 -0.213 0.000 2.345 163 S HA -0.062 4.408 4.470 -0.000 0.000 0.220 163 S C 1.848 176.269 174.600 -0.299 0.000 1.031 163 S CA 1.523 59.597 58.200 -0.211 0.000 0.996 163 S CB -0.576 62.543 63.200 -0.135 0.000 0.882 163 S HN 0.613 nan 8.310 nan 0.000 0.445 164 M N 2.272 121.597 119.600 -0.459 0.000 2.337 164 M HA -0.111 4.369 4.480 -0.000 0.000 0.261 164 M C 1.624 177.733 176.300 -0.319 0.000 1.067 164 M CA 1.445 56.474 55.300 -0.450 0.000 1.074 164 M CB -1.109 31.051 32.600 -0.734 0.000 1.395 164 M HN 0.214 nan 8.290 nan 0.000 0.431 165 T N -0.108 114.278 114.554 -0.280 0.000 2.852 165 T HA -0.031 4.319 4.350 -0.000 0.000 0.256 165 T C 1.723 176.310 174.700 -0.188 0.000 1.038 165 T CA 1.275 63.255 62.100 -0.200 0.000 1.141 165 T CB -0.085 68.692 68.868 -0.150 0.000 0.869 165 T HN 0.439 nan 8.240 nan 0.000 0.439 166 K N 0.740 121.018 120.400 -0.204 0.000 2.209 166 K HA 0.096 4.416 4.320 -0.000 0.000 0.204 166 K C 2.012 178.423 176.600 -0.316 0.000 1.048 166 K CA 0.897 57.057 56.287 -0.212 0.000 0.940 166 K CB -0.214 32.169 32.500 -0.196 0.000 0.729 166 K HN 0.354 nan 8.250 nan 0.000 0.451 167 I N 0.690 121.023 120.570 -0.396 0.000 2.617 167 I HA -0.190 3.980 4.170 -0.000 0.000 0.256 167 I C 1.852 177.791 176.117 -0.297 0.000 1.167 167 I CA 0.815 61.782 61.300 -0.555 0.000 1.469 167 I CB 0.053 37.736 38.000 -0.528 0.000 1.098 167 I HN 0.100 nan 8.210 nan 0.000 0.436 168 L N 0.020 121.107 121.223 -0.227 0.000 2.249 168 L HA -0.068 4.272 4.340 -0.000 0.000 0.207 168 L C 2.424 179.229 176.870 -0.108 0.000 1.090 168 L CA 0.551 55.284 54.840 -0.178 0.000 0.802 168 L CB -0.421 41.539 42.059 -0.165 0.000 0.947 168 L HN 0.220 nan 8.230 nan 0.000 0.453 169 E N 0.964 121.103 120.200 -0.102 0.000 2.113 169 E HA -0.286 4.064 4.350 -0.000 0.000 0.210 169 E C -0.629 175.955 176.600 -0.026 0.000 1.040 169 E CA 2.294 58.660 56.400 -0.057 0.000 0.847 169 E CB -0.655 29.008 29.700 -0.063 0.000 0.755 169 E HN 0.317 nan 8.360 nan 0.000 0.459 170 P HA -0.120 nan 4.420 nan 0.000 0.214 170 P C 1.211 178.493 177.300 -0.030 0.000 1.162 170 P CA 1.090 64.207 63.100 0.028 0.000 0.879 170 P CB -0.279 31.523 31.700 0.171 0.000 0.786 171 F N 1.053 120.792 119.950 -0.351 0.000 2.154 171 F HA -0.195 4.332 4.527 -0.000 0.000 0.301 171 F C 2.090 177.786 175.800 -0.174 0.000 1.087 171 F CA 1.681 59.470 58.000 -0.352 0.000 1.274 171 F CB -0.449 38.210 39.000 -0.569 0.000 1.009 171 F HN -0.251 nan 8.300 nan 0.000 0.485 172 K N 0.344 120.840 120.400 0.160 0.000 2.025 172 K HA -0.209 4.111 4.320 -0.000 0.000 0.207 172 K C 2.366 178.962 176.600 -0.007 0.000 1.049 172 K CA 1.291 57.641 56.287 0.105 0.000 0.933 172 K CB -0.273 32.261 32.500 0.057 0.000 0.714 172 K HN 0.034 nan 8.250 nan 0.000 0.438 173 K N 0.938 121.323 120.400 -0.024 0.000 2.152 173 K HA -0.220 4.100 4.320 -0.000 0.000 0.206 173 K C 1.871 178.430 176.600 -0.068 0.000 1.048 173 K CA 1.651 57.918 56.287 -0.034 0.000 0.933 173 K CB 0.087 32.576 32.500 -0.018 0.000 0.721 173 K HN 0.069 nan 8.250 nan 0.000 0.447 174 Q N 0.654 120.377 119.800 -0.128 0.000 2.187 174 Q HA 0.084 4.423 4.340 -0.000 0.000 0.199 174 Q C -0.129 175.743 176.000 -0.213 0.000 0.957 174 Q CA 0.928 56.623 55.803 -0.181 0.000 0.857 174 Q CB 0.404 28.982 28.738 -0.267 0.000 0.929 174 Q HN 0.312 nan 8.270 nan 0.000 0.453 175 N N 0.534 119.090 118.700 -0.241 0.000 2.791 175 N HA 0.172 4.912 4.740 -0.000 0.000 0.265 175 N C -2.470 173.003 175.510 -0.062 0.000 1.580 175 N CA -0.920 52.025 53.050 -0.175 0.000 0.809 175 N CB 1.463 39.787 38.487 -0.272 0.000 1.178 175 N HN 0.142 nan 8.380 nan 0.000 0.499 176 P HA -0.061 nan 4.420 nan 0.000 0.244 176 P C 0.301 177.599 177.300 -0.003 0.000 1.211 176 P CA 0.897 63.988 63.100 -0.014 0.000 0.760 176 P CB 0.465 32.154 31.700 -0.018 0.000 0.961 177 D N -0.323 120.076 120.400 -0.002 0.000 2.398 177 D HA 0.063 4.703 4.640 -0.000 0.000 0.210 177 D C -0.123 176.199 176.300 0.035 0.000 1.094 177 D CA -0.114 53.892 54.000 0.010 0.000 0.839 177 D CB 0.481 41.283 40.800 0.003 0.000 0.963 177 D HN 0.022 nan 8.370 nan 0.000 0.506 178 I N 2.961 123.565 120.570 0.056 0.000 2.412 178 I HA 0.106 4.276 4.170 -0.000 0.000 0.279 178 I C 0.434 176.601 176.117 0.084 0.000 1.063 178 I CA -0.755 60.605 61.300 0.101 0.000 1.193 178 I CB 0.975 39.085 38.000 0.184 0.000 1.370 178 I HN -0.190 nan 8.210 nan 0.000 0.479 179 V N 8.008 127.953 119.914 0.050 0.000 2.529 179 V HA 0.295 4.415 4.120 -0.000 0.000 0.292 179 V C -0.043 176.076 176.094 0.041 0.000 1.028 179 V CA 0.403 62.720 62.300 0.029 0.000 1.074 179 V CB 0.617 32.433 31.823 -0.012 0.000 0.958 179 V HN 0.475 nan 8.190 nan 0.000 0.481 180 I N 7.709 128.304 120.570 0.042 0.000 2.439 180 I HA 0.354 4.524 4.170 -0.000 0.000 0.283 180 I C -1.265 174.890 176.117 0.064 0.000 1.023 180 I CA -0.643 60.676 61.300 0.032 0.000 1.100 180 I CB 1.633 39.623 38.000 -0.016 0.000 1.238 180 I HN 0.800 nan 8.210 nan 0.000 0.445 181 Y N 6.817 127.092 120.300 -0.042 0.000 2.335 181 Y HA 0.390 4.940 4.550 -0.000 0.000 0.338 181 Y C -0.456 175.470 175.900 0.044 0.000 0.977 181 Y CA -0.892 57.178 58.100 -0.050 0.000 1.114 181 Y CB 1.348 39.700 38.460 -0.179 0.000 1.182 181 Y HN 0.520 nan 8.280 nan 0.000 0.463 182 Q N 5.656 125.066 119.800 -0.650 0.000 2.431 182 Q HA 0.263 4.603 4.340 -0.000 0.000 0.249 182 Q C -1.846 173.861 176.000 -0.488 0.000 1.025 182 Q CA -0.769 54.778 55.803 -0.427 0.000 0.835 182 Q CB 1.168 29.756 28.738 -0.251 0.000 1.207 182 Q HN 0.696 nan 8.270 nan 0.000 0.490 183 Y N 5.557 125.653 120.300 -0.340 0.000 2.434 183 Y HA 0.325 4.875 4.550 -0.000 0.000 0.341 183 Y C 0.400 176.371 175.900 0.119 0.000 0.965 183 Y CA -0.573 57.502 58.100 -0.041 0.000 1.205 183 Y CB 0.234 38.891 38.460 0.328 0.000 1.121 183 Y HN 0.944 nan 8.280 nan 0.000 0.507 184 M N 1.386 120.835 119.600 -0.252 0.000 7.319 184 M HA -0.474 4.006 4.480 -0.000 0.000 0.312 184 M C 1.086 177.448 176.300 0.104 0.000 0.480 184 M CA 2.037 57.259 55.300 -0.130 0.000 1.311 184 M CB -0.903 31.489 32.600 -0.347 0.000 0.421 184 M HN 0.555 nan 8.290 nan 0.000 0.892 185 D N 0.799 121.190 120.400 -0.016 0.000 2.309 185 D HA -0.045 4.595 4.640 -0.000 0.000 0.212 185 D C -0.040 176.292 176.300 0.054 0.000 0.968 185 D CA 1.173 55.150 54.000 -0.039 0.000 0.882 185 D CB -0.073 40.636 40.800 -0.152 0.000 0.918 185 D HN 0.288 nan 8.370 nan 0.000 0.503 186 D N -0.265 120.193 120.400 0.097 0.000 2.385 186 D HA 0.409 5.049 4.640 -0.000 0.000 0.254 186 D C -0.370 175.966 176.300 0.060 0.000 1.053 186 D CA -0.483 53.562 54.000 0.074 0.000 0.992 186 D CB 1.880 42.746 40.800 0.111 0.000 1.145 186 D HN -0.174 nan 8.370 nan 0.000 0.523 187 L N 1.521 122.716 121.223 -0.047 0.000 2.446 187 L HA 0.253 4.593 4.340 -0.000 0.000 0.268 187 L C -1.384 175.419 176.870 -0.113 0.000 0.975 187 L CA -0.567 54.244 54.840 -0.048 0.000 0.848 187 L CB 1.067 43.076 42.059 -0.082 0.000 1.225 187 L HN 0.242 nan 8.230 nan 0.000 0.410 188 Y N 3.269 123.528 120.300 -0.069 0.000 2.383 188 Y HA 0.541 5.091 4.550 -0.000 0.000 0.344 188 Y C 0.166 176.018 175.900 -0.080 0.000 0.986 188 Y CA -0.512 57.524 58.100 -0.106 0.000 1.175 188 Y CB 1.345 39.664 38.460 -0.236 0.000 1.152 188 Y HN 0.203 nan 8.280 nan 0.000 0.511 189 V N 3.481 123.424 119.914 0.047 0.000 2.448 189 V HA 0.864 4.984 4.120 -0.000 0.000 0.295 189 V C 0.200 176.381 176.094 0.145 0.000 1.025 189 V CA -0.570 61.764 62.300 0.056 0.000 0.859 189 V CB 1.596 33.407 31.823 -0.021 0.000 0.988 189 V HN 0.901 nan 8.190 nan 0.000 0.431 190 G N 2.804 111.683 108.800 0.132 0.000 2.672 190 G HA2 0.853 4.813 3.960 -0.000 0.000 0.292 190 G HA3 0.853 4.813 3.960 -0.000 0.000 0.292 190 G C -0.861 174.120 174.900 0.136 0.000 1.375 190 G CA 0.008 45.191 45.100 0.138 0.000 0.890 190 G HN 1.073 nan 8.290 nan 0.000 0.476 191 S N -1.172 114.577 115.700 0.083 0.000 2.655 191 S HA 0.479 4.949 4.470 -0.000 0.000 0.266 191 S C -1.370 173.232 174.600 0.004 0.000 1.149 191 S CA -0.695 57.550 58.200 0.074 0.000 0.818 191 S CB 1.945 65.257 63.200 0.187 0.000 1.130 191 S HN 0.317 nan 8.310 nan 0.000 0.476 192 D N 0.725 121.135 120.400 0.017 0.000 2.525 192 D HA 0.405 5.045 4.640 -0.000 0.000 0.229 192 D C 0.296 176.604 176.300 0.013 0.000 1.202 192 D CA 0.018 54.018 54.000 -0.001 0.000 0.828 192 D CB 0.022 40.821 40.800 -0.003 0.000 1.008 192 D HN 0.362 nan 8.370 nan 0.000 0.493 193 L N 0.022 121.266 121.223 0.036 0.000 2.770 193 L HA 0.286 4.626 4.340 -0.000 0.000 0.229 193 L C 0.907 177.798 176.870 0.035 0.000 1.173 193 L CA -0.704 54.170 54.840 0.057 0.000 0.871 193 L CB 0.632 42.763 42.059 0.121 0.000 1.682 193 L HN -0.207 nan 8.230 nan 0.000 0.523 194 E N 0.335 120.571 120.200 0.060 0.000 2.214 194 E HA 0.162 4.512 4.350 -0.000 0.000 0.274 194 E C 0.744 177.398 176.600 0.090 0.000 0.977 194 E CA -0.344 56.087 56.400 0.050 0.000 0.827 194 E CB 2.088 31.815 29.700 0.045 0.000 1.130 194 E HN 0.481 nan 8.360 nan 0.000 0.394 195 I N 1.961 122.571 120.570 0.066 0.000 2.358 195 I HA -0.332 3.838 4.170 -0.000 0.000 0.257 195 I C 1.499 177.701 176.117 0.142 0.000 1.123 195 I CA 1.952 63.315 61.300 0.105 0.000 1.393 195 I CB 0.152 38.194 38.000 0.068 0.000 1.073 195 I HN 0.613 nan 8.210 nan 0.000 0.437 196 G N -0.706 108.157 108.800 0.106 0.000 2.473 196 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.212 196 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.212 196 G C 1.347 176.309 174.900 0.104 0.000 1.211 196 G CA 0.303 45.459 45.100 0.092 0.000 0.813 196 G HN 0.454 nan 8.290 nan 0.000 0.541 197 Q N -0.520 119.339 119.800 0.099 0.000 2.364 197 Q HA -0.102 4.238 4.340 -0.000 0.000 0.209 197 Q C 2.082 178.159 176.000 0.128 0.000 0.977 197 Q CA 1.143 57.001 55.803 0.093 0.000 0.885 197 Q CB -0.107 28.677 28.738 0.076 0.000 0.941 197 Q HN 0.699 nan 8.270 nan 0.000 0.464 198 H N 1.023 120.126 119.070 0.055 0.000 2.268 198 H HA 0.044 4.599 4.556 -0.000 0.000 0.304 198 H C 1.789 177.163 175.328 0.077 0.000 1.064 198 H CA 1.506 57.592 56.048 0.064 0.000 1.316 198 H CB 0.215 30.014 29.762 0.062 0.000 1.386 198 H HN -0.029 nan 8.280 nan 0.000 0.496 199 R N -0.509 120.041 120.500 0.084 0.000 2.200 199 R HA -0.107 4.233 4.340 -0.000 0.000 0.234 199 R C 2.107 178.430 176.300 0.039 0.000 1.127 199 R CA 1.621 57.750 56.100 0.047 0.000 0.989 199 R CB -0.198 30.181 30.300 0.132 0.000 0.869 199 R HN 0.405 nan 8.270 nan 0.000 0.459 200 T N 0.696 115.279 114.554 0.048 0.000 2.701 200 T HA -0.130 4.220 4.350 -0.000 0.000 0.263 200 T C 1.675 176.406 174.700 0.053 0.000 1.040 200 T CA 1.189 63.321 62.100 0.053 0.000 1.147 200 T CB -0.087 68.814 68.868 0.054 0.000 0.865 200 T HN 0.054 nan 8.240 nan 0.000 0.426 201 K N 1.051 121.473 120.400 0.037 0.000 2.032 201 K HA -0.018 4.302 4.320 -0.000 0.000 0.209 201 K C 2.104 178.760 176.600 0.093 0.000 1.048 201 K CA 0.954 57.291 56.287 0.084 0.000 0.927 201 K CB -0.779 31.760 32.500 0.065 0.000 0.712 201 K HN 0.161 nan 8.250 nan 0.000 0.441 202 I N 1.519 122.046 120.570 -0.071 0.000 2.113 202 I HA -0.315 3.855 4.170 -0.000 0.000 0.242 202 I C 2.123 178.226 176.117 -0.023 0.000 1.064 202 I CA 1.630 62.853 61.300 -0.129 0.000 1.320 202 I CB -1.130 36.740 38.000 -0.217 0.000 1.028 202 I HN 0.323 nan 8.210 nan 0.000 0.406 203 E N 0.495 120.722 120.200 0.046 0.000 2.038 203 E HA -0.271 4.078 4.350 -0.000 0.000 0.195 203 E C 2.065 178.733 176.600 0.115 0.000 1.000 203 E CA 1.432 57.882 56.400 0.084 0.000 0.803 203 E CB -0.392 29.361 29.700 0.088 0.000 0.750 203 E HN 0.549 nan 8.360 nan 0.000 0.448 204 E N 0.274 120.568 120.200 0.157 0.000 2.147 204 E HA -0.234 4.116 4.350 -0.000 0.000 0.199 204 E C 2.200 179.024 176.600 0.373 0.000 1.005 204 E CA 1.128 57.676 56.400 0.246 0.000 0.810 204 E CB -0.115 29.730 29.700 0.242 0.000 0.736 204 E HN 0.090 nan 8.360 nan 0.000 0.460 205 L N 0.993 122.380 121.223 0.273 0.000 2.023 205 L HA -0.112 4.228 4.340 -0.000 0.000 0.205 205 L C 2.387 179.242 176.870 -0.025 0.000 1.073 205 L CA 1.643 56.404 54.840 -0.133 0.000 0.745 205 L CB -0.301 41.426 42.059 -0.553 0.000 0.900 205 L HN -0.009 nan 8.230 nan 0.000 0.435 206 R N -0.927 119.571 120.500 -0.003 0.000 2.103 206 R HA -0.199 4.141 4.340 -0.000 0.000 0.242 206 R C 2.275 178.631 176.300 0.094 0.000 1.142 206 R CA 1.499 57.620 56.100 0.035 0.000 0.960 206 R CB -0.542 29.789 30.300 0.051 0.000 0.858 206 R HN 0.478 nan 8.270 nan 0.000 0.439 207 Q N -0.030 119.843 119.800 0.123 0.000 2.020 207 Q HA -0.190 4.150 4.340 -0.000 0.000 0.202 207 Q C 2.030 178.128 176.000 0.163 0.000 0.982 207 Q CA 1.702 57.581 55.803 0.126 0.000 0.838 207 Q CB -0.502 28.312 28.738 0.126 0.000 0.899 207 Q HN 0.527 nan 8.270 nan 0.000 0.423 208 H N 0.289 119.461 119.070 0.170 0.000 2.390 208 H HA -0.091 4.465 4.556 -0.000 0.000 0.298 208 H C 2.063 177.569 175.328 0.295 0.000 1.106 208 H CA 1.623 57.824 56.048 0.255 0.000 1.297 208 H CB -0.057 29.902 29.762 0.328 0.000 1.375 208 H HN 0.106 nan 8.280 nan 0.000 0.509 209 L N -0.435 120.969 121.223 0.302 0.000 2.056 209 L HA -0.154 4.186 4.340 -0.000 0.000 0.207 209 L C 2.530 179.534 176.870 0.223 0.000 1.078 209 L CA 0.774 55.764 54.840 0.251 0.000 0.749 209 L CB -0.345 41.786 42.059 0.120 0.000 0.901 209 L HN 0.347 nan 8.230 nan 0.000 0.433 210 L N -0.289 121.018 121.223 0.141 0.000 2.042 210 L HA -0.225 4.115 4.340 -0.000 0.000 0.210 210 L C 2.650 179.545 176.870 0.040 0.000 1.076 210 L CA 1.314 56.207 54.840 0.088 0.000 0.749 210 L CB -0.308 41.787 42.059 0.059 0.000 0.893 210 L HN 0.239 nan 8.230 nan 0.000 0.432 211 R N -1.431 119.058 120.500 -0.019 0.000 2.377 211 R HA -0.178 4.162 4.340 -0.000 0.000 0.207 211 R C 0.291 176.334 176.300 -0.429 0.000 1.075 211 R CA 0.951 56.912 56.100 -0.233 0.000 1.035 211 R CB -0.164 29.935 30.300 -0.336 0.000 0.857 211 R HN 0.411 nan 8.270 nan 0.000 0.475 212 W N -0.450 120.838 121.300 -0.020 0.000 2.128 212 W HA 0.297 4.957 4.660 -0.000 0.000 0.356 212 W C 0.816 177.360 176.519 0.041 0.000 0.891 212 W CA -0.022 57.328 57.345 0.010 0.000 2.408 212 W CB 0.756 30.229 29.460 0.022 0.000 1.234 212 W HN 0.118 nan 8.180 nan 0.000 0.597 213 G N 1.006 109.907 108.800 0.168 0.000 2.180 213 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.263 213 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.263 213 G C -0.061 174.940 174.900 0.168 0.000 0.989 213 G CA 0.218 45.407 45.100 0.150 0.000 0.692 213 G HN 0.268 nan 8.290 nan 0.000 0.526 214 L N 1.606 122.941 121.223 0.187 0.000 2.277 214 L HA 0.496 4.836 4.340 -0.000 0.000 0.284 214 L C 0.954 177.898 176.870 0.123 0.000 1.028 214 L CA -0.250 54.690 54.840 0.167 0.000 0.835 214 L CB 1.626 43.796 42.059 0.185 0.000 1.215 214 L HN 0.250 nan 8.230 nan 0.000 0.425 215 T N 0.928 115.544 114.554 0.104 0.000 2.910 215 T HA 0.456 4.806 4.350 -0.000 0.000 0.293 215 T C -0.111 174.631 174.700 0.069 0.000 1.015 215 T CA -0.190 61.958 62.100 0.080 0.000 1.094 215 T CB 1.427 70.338 68.868 0.071 0.000 0.968 215 T HN 0.645 nan 8.240 nan 0.000 0.521 216 T N 3.339 117.932 114.554 0.064 0.000 2.894 216 T HA 0.622 4.972 4.350 -0.000 0.000 0.309 216 T C -2.831 171.916 174.700 0.080 0.000 1.208 216 T CA -1.353 60.783 62.100 0.060 0.000 1.016 216 T CB 1.130 70.025 68.868 0.044 0.000 1.192 216 T HN 0.567 nan 8.240 nan 0.000 0.491 217 P HA 0.141 nan 4.420 nan 0.000 0.270 217 P C 0.115 177.501 177.300 0.143 0.000 1.216 217 P CA 0.036 63.205 63.100 0.116 0.000 0.788 217 P CB 0.468 32.260 31.700 0.154 0.000 0.883 218 D N 0.432 120.852 120.400 0.033 0.000 2.943 218 D HA -0.043 4.597 4.640 -0.000 0.000 0.282 218 D C 1.102 177.202 176.300 -0.333 0.000 1.148 218 D CA 0.733 54.700 54.000 -0.054 0.000 1.006 218 D CB 0.387 41.166 40.800 -0.034 0.000 1.168 218 D HN 0.289 nan 8.370 nan 0.000 0.450 219 K N 0.070 120.299 120.400 -0.285 0.000 2.440 219 K HA 0.119 4.439 4.320 -0.000 0.000 0.207 219 K C 0.537 176.989 176.600 -0.247 0.000 1.112 219 K CA -0.005 56.074 56.287 -0.348 0.000 1.036 219 K CB 0.281 32.681 32.500 -0.168 0.000 0.935 219 K HN -0.139 nan 8.250 nan 0.000 0.564 220 K N 1.713 122.028 120.400 -0.141 0.000 2.745 220 K HA 0.122 4.442 4.320 -0.000 0.000 0.223 220 K C 0.418 177.051 176.600 0.055 0.000 1.057 220 K CA -0.055 56.212 56.287 -0.034 0.000 1.217 220 K CB -0.644 31.851 32.500 -0.009 0.000 0.993 220 K HN 0.426 nan 8.250 nan 0.000 0.478 221 H N 0.675 119.741 119.070 -0.006 0.000 2.518 221 H HA -0.191 4.365 4.556 -0.000 0.000 0.292 221 H C 1.219 176.534 175.328 -0.022 0.000 1.068 221 H CA 0.801 56.846 56.048 -0.004 0.000 1.275 221 H CB 0.218 29.989 29.762 0.015 0.000 1.375 221 H HN 0.388 nan 8.280 nan 0.000 0.563 222 Q N 0.305 120.147 119.800 0.070 0.000 2.224 222 Q HA -0.393 3.947 4.340 -0.000 0.000 0.189 222 Q C 1.577 177.490 176.000 -0.145 0.000 0.639 222 Q CA 1.753 57.532 55.803 -0.039 0.000 1.436 222 Q CB -0.765 27.952 28.738 -0.035 0.000 1.626 222 Q HN 0.704 nan 8.270 nan 0.000 0.768 223 K N 0.961 121.348 120.400 -0.022 0.000 1.988 223 K HA -0.283 4.037 4.320 -0.000 0.000 0.231 223 K C 0.517 176.970 176.600 -0.245 0.000 1.044 223 K CA 1.871 58.148 56.287 -0.017 0.000 1.013 223 K CB -0.844 31.742 32.500 0.144 0.000 0.736 223 K HN 0.425 nan 8.250 nan 0.000 0.446 224 E N 2.568 122.705 120.200 -0.104 0.000 1.090 224 E HA -0.154 4.196 4.350 -0.000 0.000 0.190 224 E C -1.970 174.504 176.600 -0.210 0.000 0.811 224 E CA -0.569 55.761 56.400 -0.116 0.000 0.491 224 E CB -0.560 29.082 29.700 -0.096 0.000 1.029 224 E HN 0.251 nan 8.360 nan 0.000 0.248 225 P HA 0.015 nan 4.420 nan 0.000 0.267 225 P C -2.233 174.984 177.300 -0.137 0.000 1.200 225 P CA -0.670 62.392 63.100 -0.063 0.000 0.772 225 P CB 0.184 32.013 31.700 0.214 0.000 0.855 226 P HA -0.072 nan 4.420 nan 0.000 0.276 226 P C -0.875 176.411 177.300 -0.022 0.000 1.248 226 P CA 0.920 63.911 63.100 -0.181 0.000 0.834 226 P CB 0.169 31.781 31.700 -0.147 0.000 0.888 227 F N -0.501 119.542 119.950 0.156 0.000 3.152 227 F HA 0.275 4.802 4.527 -0.000 0.000 0.367 227 F C -0.634 175.364 175.800 0.331 0.000 1.272 227 F CA -0.345 57.810 58.000 0.259 0.000 1.172 227 F CB 0.708 39.894 39.000 0.309 0.000 1.552 227 F HN -0.005 nan 8.300 nan 0.000 0.616 228 L N 3.698 125.196 121.223 0.458 0.000 2.342 228 L HA 0.196 4.536 4.340 -0.000 0.000 0.285 228 L C -0.997 176.176 176.870 0.506 0.000 1.095 228 L CA -0.068 55.014 54.840 0.402 0.000 0.843 228 L CB 0.365 42.572 42.059 0.247 0.000 1.201 228 L HN 0.601 nan 8.230 nan 0.000 0.445 229 W N 5.770 127.247 121.300 0.295 0.000 2.883 229 W HA 0.370 5.030 4.660 -0.000 0.000 0.335 229 W C 0.235 176.846 176.519 0.155 0.000 1.083 229 W CA -0.918 56.550 57.345 0.205 0.000 1.233 229 W CB 1.278 30.802 29.460 0.107 0.000 1.412 229 W HN 0.277 nan 8.180 nan 0.000 0.490 230 M N 5.401 124.478 119.600 -0.873 0.000 2.164 230 M HA -0.263 4.217 4.480 -0.000 0.000 0.196 230 M C 1.144 177.096 176.300 -0.579 0.000 0.270 230 M CA 2.145 56.892 55.300 -0.922 0.000 0.373 230 M CB -2.016 29.579 32.600 -1.676 0.000 1.089 230 M HN 1.369 nan 8.290 nan 0.000 0.940 231 G N -2.212 106.366 108.800 -0.370 0.000 2.234 231 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.235 231 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.235 231 G C -0.196 174.690 174.900 -0.022 0.000 0.997 231 G CA 0.203 45.077 45.100 -0.376 0.000 0.623 231 G HN 0.533 nan 8.290 nan 0.000 0.514 232 Y N 0.336 120.827 120.300 0.319 0.000 2.519 232 Y HA 0.708 5.258 4.550 -0.000 0.000 0.324 232 Y C 0.696 176.834 175.900 0.397 0.000 1.214 232 Y CA -0.866 57.477 58.100 0.405 0.000 1.260 232 Y CB 1.062 39.755 38.460 0.388 0.000 1.311 232 Y HN 0.102 nan 8.280 nan 0.000 0.505 233 E N 1.679 122.258 120.200 0.632 0.000 2.331 233 E HA 0.328 4.677 4.350 -0.000 0.000 0.243 233 E C -1.897 175.109 176.600 0.676 0.000 0.925 233 E CA -0.600 56.137 56.400 0.562 0.000 0.760 233 E CB 0.483 30.472 29.700 0.483 0.000 1.254 233 E HN 0.388 nan 8.360 nan 0.000 0.419 234 L N 4.222 125.843 121.223 0.662 0.000 2.350 234 L HA 0.427 4.767 4.340 -0.000 0.000 0.275 234 L C 0.286 177.606 176.870 0.751 0.000 1.099 234 L CA -0.184 55.052 54.840 0.660 0.000 0.808 234 L CB 0.633 42.943 42.059 0.418 0.000 1.149 234 L HN 0.604 nan 8.230 nan 0.000 0.442 235 H N 3.402 122.731 119.070 0.431 0.000 2.834 235 H HA 0.298 4.854 4.556 -0.000 0.000 0.369 235 H C -1.633 173.938 175.328 0.405 0.000 1.174 235 H CA -1.713 54.544 56.048 0.349 0.000 1.165 235 H CB 2.321 32.218 29.762 0.224 0.000 1.820 235 H HN 0.344 nan 8.280 nan 0.000 0.558 236 P HA -0.135 nan 4.420 nan 0.000 0.220 236 P C 0.384 177.923 177.300 0.397 0.000 1.148 236 P CA 1.361 64.642 63.100 0.301 0.000 0.803 236 P CB 0.559 32.361 31.700 0.171 0.000 0.782 237 D N -0.587 120.036 120.400 0.371 0.000 2.380 237 D HA 0.056 4.696 4.640 -0.000 0.000 0.212 237 D C 1.177 177.569 176.300 0.152 0.000 1.021 237 D CA 0.799 54.964 54.000 0.275 0.000 0.884 237 D CB 0.553 41.425 40.800 0.120 0.000 1.001 237 D HN 0.416 nan 8.370 nan 0.000 0.506 238 K N -1.263 119.145 120.400 0.013 0.000 2.234 238 K HA 0.518 4.838 4.320 -0.000 0.000 0.263 238 K C -1.020 175.422 176.600 -0.264 0.000 1.006 238 K CA -1.082 54.987 56.287 -0.363 0.000 0.854 238 K CB 1.788 34.081 32.500 -0.345 0.000 1.497 238 K HN 0.027 nan 8.250 nan 0.000 0.417 239 W N -0.835 120.250 121.300 -0.358 0.000 2.937 239 W HA 0.644 5.304 4.660 -0.000 0.000 0.360 239 W C -1.750 174.738 176.519 -0.051 0.000 1.215 239 W CA -0.586 56.685 57.345 -0.123 0.000 1.183 239 W CB 0.904 30.286 29.460 -0.130 0.000 1.458 239 W HN 0.939 nan 8.180 nan 0.000 0.574 240 T N -0.352 114.345 114.554 0.239 0.000 2.676 240 T HA 0.399 4.749 4.350 -0.000 0.000 0.308 240 T C -1.162 173.793 174.700 0.425 0.000 1.740 240 T CA 0.040 62.094 62.100 -0.077 0.000 0.982 240 T CB 0.677 69.340 68.868 -0.341 0.000 1.724 240 T HN 1.232 nan 8.240 nan 0.000 0.497 241 V N 1.178 121.269 119.914 0.294 0.000 2.834 241 V HA 0.574 4.694 4.120 -0.000 0.000 0.301 241 V C 0.806 177.105 176.094 0.341 0.000 1.066 241 V CA -0.661 61.882 62.300 0.404 0.000 1.052 241 V CB 0.524 32.528 31.823 0.301 0.000 1.021 241 V HN 0.988 nan 8.190 nan 0.000 0.480 242 Q N 1.742 121.749 119.800 0.345 0.000 2.524 242 Q HA 0.193 4.533 4.340 -0.000 0.000 0.246 242 Q C -2.203 173.915 176.000 0.197 0.000 1.063 242 Q CA -1.195 54.751 55.803 0.240 0.000 0.945 242 Q CB -0.104 28.731 28.738 0.162 0.000 1.292 242 Q HN 0.614 nan 8.270 nan 0.000 0.518 243 P HA -0.091 nan 4.420 nan 0.000 0.255 243 P C -0.941 176.409 177.300 0.083 0.000 1.173 243 P CA 0.735 63.900 63.100 0.107 0.000 0.780 243 P CB 0.128 31.880 31.700 0.087 0.000 0.758 244 I N 4.643 125.254 120.570 0.068 0.000 2.331 244 I HA 0.259 4.429 4.170 -0.000 0.000 0.292 244 I C 0.342 176.461 176.117 0.004 0.000 0.998 244 I CA -0.432 60.889 61.300 0.035 0.000 1.267 244 I CB 1.451 39.449 38.000 -0.002 0.000 1.386 244 I HN 0.070 nan 8.210 nan 0.000 0.476 245 V N 8.278 128.201 119.914 0.015 0.000 2.409 245 V HA 0.402 4.522 4.120 -0.000 0.000 0.290 245 V C -0.354 175.759 176.094 0.031 0.000 1.017 245 V CA -0.586 61.722 62.300 0.014 0.000 0.841 245 V CB 1.725 33.560 31.823 0.019 0.000 1.003 245 V HN 0.507 nan 8.190 nan 0.000 0.426 246 L N 9.197 130.440 121.223 0.033 0.000 2.369 246 L HA 0.315 4.655 4.340 -0.000 0.000 0.279 246 L C -0.971 175.972 176.870 0.122 0.000 1.108 246 L CA -1.290 53.599 54.840 0.083 0.000 0.852 246 L CB 0.837 42.929 42.059 0.056 0.000 1.169 246 L HN 0.510 nan 8.230 nan 0.000 0.452 247 P HA -0.268 nan 4.420 nan 0.000 0.219 247 P C 0.036 177.370 177.300 0.058 0.000 1.158 247 P CA 1.014 64.165 63.100 0.084 0.000 0.895 247 P CB 0.070 31.795 31.700 0.041 0.000 0.792 248 E N -0.845 119.479 120.200 0.207 0.000 3.439 248 E HA -0.225 4.125 4.350 -0.000 0.000 0.149 248 E C -0.541 176.045 176.600 -0.024 0.000 1.846 248 E CA 0.307 56.809 56.400 0.171 0.000 0.770 248 E CB -0.910 28.847 29.700 0.095 0.000 1.082 248 E HN 0.416 nan 8.360 nan 0.000 0.357 249 K N 1.818 122.113 120.400 -0.176 0.000 2.399 249 K HA 0.497 4.817 4.320 -0.000 0.000 0.260 249 K C 0.026 176.460 176.600 -0.276 0.000 1.049 249 K CA -0.851 55.226 56.287 -0.350 0.000 0.890 249 K CB 0.816 32.926 32.500 -0.650 0.000 1.430 249 K HN -0.112 nan 8.250 nan 0.000 0.459 250 D N 1.100 121.356 120.400 -0.240 0.000 2.087 250 D HA -0.087 4.553 4.640 -0.000 0.000 0.218 250 D C 0.159 176.384 176.300 -0.125 0.000 0.982 250 D CA 1.494 55.419 54.000 -0.126 0.000 0.900 250 D CB -0.404 40.336 40.800 -0.102 0.000 1.072 250 D HN 0.611 nan 8.370 nan 0.000 0.459 251 S N -0.549 115.051 115.700 -0.166 0.000 2.508 251 S HA 0.462 4.932 4.470 -0.000 0.000 0.284 251 S C -0.904 173.584 174.600 -0.186 0.000 1.192 251 S CA -0.870 57.287 58.200 -0.071 0.000 1.070 251 S CB 0.735 63.917 63.200 -0.030 0.000 1.004 251 S HN 0.174 nan 8.310 nan 0.000 0.493 252 W N 1.786 123.078 121.300 -0.014 0.000 2.433 252 W HA 0.505 5.165 4.660 -0.000 0.000 0.315 252 W C 0.823 177.334 176.519 -0.014 0.000 1.087 252 W CA -0.598 56.738 57.345 -0.015 0.000 1.205 252 W CB 1.237 30.687 29.460 -0.016 0.000 1.288 252 W HN 0.802 nan 8.180 nan 0.000 0.504 253 T N -1.449 113.211 114.554 0.177 0.000 2.918 253 T HA 0.256 4.606 4.350 -0.000 0.000 0.283 253 T C 0.897 175.671 174.700 0.123 0.000 1.001 253 T CA -0.773 61.392 62.100 0.107 0.000 1.041 253 T CB 1.340 70.237 68.868 0.048 0.000 1.028 253 T HN 0.246 nan 8.240 nan 0.000 0.511 254 V N 2.024 121.984 119.914 0.076 0.000 2.317 254 V HA -0.233 3.887 4.120 -0.000 0.000 0.251 254 V C 2.853 178.983 176.094 0.059 0.000 1.065 254 V CA 2.510 64.844 62.300 0.057 0.000 1.049 254 V CB -1.411 30.431 31.823 0.032 0.000 0.651 254 V HN 1.010 nan 8.190 nan 0.000 0.450 255 N N 0.147 118.879 118.700 0.053 0.000 2.149 255 N HA -0.186 4.554 4.740 -0.000 0.000 0.188 255 N C 1.467 177.023 175.510 0.077 0.000 1.019 255 N CA 1.725 54.803 53.050 0.046 0.000 0.857 255 N CB -0.217 38.287 38.487 0.029 0.000 0.997 255 N HN 0.491 nan 8.380 nan 0.000 0.426 256 D N -0.127 120.351 120.400 0.130 0.000 2.091 256 D HA -0.052 4.588 4.640 -0.000 0.000 0.199 256 D C 1.904 178.356 176.300 0.253 0.000 0.980 256 D CA 0.610 54.754 54.000 0.240 0.000 0.831 256 D CB -0.198 40.818 40.800 0.360 0.000 0.987 256 D HN 0.228 nan 8.370 nan 0.000 0.460 257 I N 1.380 122.061 120.570 0.185 0.000 2.335 257 I HA -0.226 3.944 4.170 -0.000 0.000 0.251 257 I C 2.196 178.315 176.117 0.003 0.000 1.129 257 I CA 1.184 62.497 61.300 0.022 0.000 1.402 257 I CB -1.029 36.960 38.000 -0.018 0.000 1.069 257 I HN 0.151 nan 8.210 nan 0.000 0.424 258 Q N 0.684 120.502 119.800 0.031 0.000 2.049 258 Q HA -0.159 4.181 4.340 -0.000 0.000 0.198 258 Q C 2.222 178.233 176.000 0.018 0.000 0.971 258 Q CA 1.142 56.953 55.803 0.014 0.000 0.833 258 Q CB -0.128 28.619 28.738 0.014 0.000 0.896 258 Q HN 0.461 nan 8.270 nan 0.000 0.434 259 K N 0.896 121.318 120.400 0.036 0.000 2.103 259 K HA -0.132 4.188 4.320 -0.000 0.000 0.207 259 K C 2.068 178.688 176.600 0.034 0.000 1.048 259 K CA 0.933 57.239 56.287 0.031 0.000 0.930 259 K CB -0.159 32.367 32.500 0.043 0.000 0.716 259 K HN 0.156 nan 8.250 nan 0.000 0.444 260 L N 0.753 122.002 121.223 0.043 0.000 1.976 260 L HA -0.198 4.142 4.340 -0.000 0.000 0.209 260 L C 2.095 178.955 176.870 -0.017 0.000 1.071 260 L CA 1.364 56.209 54.840 0.009 0.000 0.746 260 L CB -0.277 41.742 42.059 -0.067 0.000 0.890 260 L HN 0.014 nan 8.230 nan 0.000 0.432 261 V N 0.299 120.194 119.914 -0.031 0.000 2.453 261 V HA -0.274 3.846 4.120 -0.000 0.000 0.252 261 V C 2.556 178.658 176.094 0.013 0.000 1.068 261 V CA 1.848 64.134 62.300 -0.024 0.000 1.070 261 V CB -1.293 30.514 31.823 -0.026 0.000 0.664 261 V HN 0.685 nan 8.190 nan 0.000 0.461 262 G N -0.523 108.290 108.800 0.023 0.000 2.403 262 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.216 262 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.216 262 G C 1.644 176.600 174.900 0.092 0.000 1.154 262 G CA 0.312 45.440 45.100 0.047 0.000 0.784 262 G HN 0.421 nan 8.290 nan 0.000 0.538 263 K N 0.322 120.765 120.400 0.072 0.000 2.062 263 K HA 0.150 4.470 4.320 -0.000 0.000 0.205 263 K C 2.505 179.188 176.600 0.138 0.000 1.051 263 K CA 0.290 56.647 56.287 0.116 0.000 0.941 263 K CB -0.548 31.989 32.500 0.062 0.000 0.719 263 K HN 0.303 nan 8.250 nan 0.000 0.440 264 L N 1.600 122.858 121.223 0.058 0.000 2.042 264 L HA -0.220 4.120 4.340 -0.000 0.000 0.210 264 L C 2.060 178.962 176.870 0.054 0.000 1.076 264 L CA 1.140 55.993 54.840 0.022 0.000 0.749 264 L CB -0.576 41.470 42.059 -0.022 0.000 0.893 264 L HN 0.196 nan 8.230 nan 0.000 0.432 265 N N -0.695 118.054 118.700 0.082 0.000 2.166 265 N HA -0.239 4.501 4.740 -0.000 0.000 0.186 265 N C 1.518 177.105 175.510 0.127 0.000 1.019 265 N CA 1.172 54.277 53.050 0.093 0.000 0.856 265 N CB -0.310 38.240 38.487 0.105 0.000 0.993 265 N HN 0.506 nan 8.380 nan 0.000 0.426 266 W N 1.704 123.011 121.300 0.011 0.000 2.467 266 W HA 0.022 4.682 4.660 -0.000 0.000 0.275 266 W C 1.695 178.258 176.519 0.073 0.000 1.239 266 W CA 1.214 58.568 57.345 0.015 0.000 1.266 266 W CB 0.054 29.492 29.460 -0.036 0.000 1.112 266 W HN 0.022 nan 8.180 nan 0.000 0.576 267 A N 0.605 123.457 122.820 0.054 0.000 1.930 267 A HA -0.166 4.154 4.320 -0.000 0.000 0.215 267 A C 1.936 179.576 177.584 0.093 0.000 1.176 267 A CA 1.672 53.759 52.037 0.084 0.000 0.632 267 A CB -1.248 17.777 19.000 0.042 0.000 0.819 267 A HN 0.277 nan 8.150 nan 0.000 0.445 268 S N 0.068 115.787 115.700 0.031 0.000 2.559 268 S HA -0.233 4.237 4.470 -0.000 0.000 0.250 268 S C 1.502 176.091 174.600 -0.020 0.000 0.977 268 S CA 1.345 59.557 58.200 0.020 0.000 0.958 268 S CB -0.617 62.587 63.200 0.006 0.000 0.751 268 S HN 0.709 nan 8.310 nan 0.000 0.534 269 Q N -0.445 119.334 119.800 -0.035 0.000 2.123 269 Q HA 0.171 4.511 4.340 -0.000 0.000 0.199 269 Q C 1.675 177.723 176.000 0.080 0.000 0.966 269 Q CA 1.155 56.977 55.803 0.031 0.000 0.845 269 Q CB -0.094 28.694 28.738 0.084 0.000 0.907 269 Q HN 0.633 nan 8.270 nan 0.000 0.439 270 I N -1.772 118.779 120.570 -0.032 0.000 4.456 270 I HA 0.062 4.232 4.170 -0.000 0.000 0.329 270 I C -0.682 175.234 176.117 -0.335 0.000 1.313 270 I CA -0.138 61.006 61.300 -0.260 0.000 1.205 270 I CB 0.836 38.444 38.000 -0.653 0.000 1.179 270 I HN -0.084 nan 8.210 nan 0.000 0.419 271 Y N 4.868 125.086 120.300 -0.137 0.000 2.477 271 Y HA 0.417 4.967 4.550 -0.000 0.000 0.349 271 Y C -2.103 173.735 175.900 -0.104 0.000 0.977 271 Y CA -2.887 55.140 58.100 -0.122 0.000 1.214 271 Y CB 0.081 38.478 38.460 -0.104 0.000 1.124 271 Y HN 0.077 nan 8.280 nan 0.000 0.521 272 P HA 0.203 nan 4.420 nan 0.000 0.280 272 P C 0.701 178.002 177.300 0.001 0.000 1.244 272 P CA 0.517 63.608 63.100 -0.015 0.000 0.784 272 P CB 1.735 33.406 31.700 -0.048 0.000 0.913 273 G N 2.894 111.687 108.800 -0.011 0.000 2.213 273 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.226 273 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.226 273 G C 0.277 175.163 174.900 -0.022 0.000 0.992 273 G CA -0.461 44.628 45.100 -0.018 0.000 0.632 273 G HN 0.475 nan 8.290 nan 0.000 0.511 274 I N 1.448 122.010 120.570 -0.014 0.000 2.821 274 I HA 0.190 4.360 4.170 -0.000 0.000 0.294 274 I C 0.705 176.804 176.117 -0.030 0.000 1.210 274 I CA 0.941 62.224 61.300 -0.030 0.000 1.430 274 I CB 0.630 38.619 38.000 -0.018 0.000 1.356 274 I HN 0.201 nan 8.210 nan 0.000 0.563 275 K N 5.202 125.575 120.400 -0.045 0.000 2.345 275 K HA 0.528 4.848 4.320 -0.000 0.000 0.255 275 K C 0.207 176.773 176.600 -0.057 0.000 0.934 275 K CA -0.476 55.783 56.287 -0.047 0.000 0.801 275 K CB 2.005 34.472 32.500 -0.054 0.000 1.137 275 K HN 0.429 nan 8.250 nan 0.000 0.424 276 V N 0.826 120.710 119.914 -0.051 0.000 3.337 276 V HA 0.239 4.359 4.120 -0.000 0.000 0.307 276 V C 1.463 177.521 176.094 -0.060 0.000 1.505 276 V CA -0.253 62.011 62.300 -0.059 0.000 1.072 276 V CB 0.309 32.106 31.823 -0.045 0.000 0.929 276 V HN 0.781 nan 8.190 nan 0.000 0.455 277 R N 0.349 120.814 120.500 -0.058 0.000 2.080 277 R HA -0.154 4.186 4.340 -0.000 0.000 0.236 277 R C 2.341 178.604 176.300 -0.062 0.000 1.137 277 R CA 2.408 58.474 56.100 -0.057 0.000 0.943 277 R CB -0.116 30.148 30.300 -0.059 0.000 0.846 277 R HN 0.496 nan 8.270 nan 0.000 0.431 278 Q N 0.474 120.233 119.800 -0.070 0.000 2.084 278 Q HA -0.133 4.207 4.340 -0.000 0.000 0.202 278 Q C 2.243 178.192 176.000 -0.085 0.000 0.978 278 Q CA 1.331 57.090 55.803 -0.074 0.000 0.844 278 Q CB -0.263 28.428 28.738 -0.078 0.000 0.898 278 Q HN 0.406 nan 8.270 nan 0.000 0.426 279 L N -0.845 120.317 121.223 -0.102 0.000 2.056 279 L HA -0.200 4.140 4.340 -0.000 0.000 0.207 279 L C 2.634 179.449 176.870 -0.092 0.000 1.078 279 L CA 0.820 55.586 54.840 -0.124 0.000 0.749 279 L CB -0.418 41.549 42.059 -0.153 0.000 0.901 279 L HN 0.232 nan 8.230 nan 0.000 0.433 280 C N -0.213 119.044 119.300 -0.071 0.000 2.429 280 C HA -0.166 4.294 4.460 -0.000 0.000 0.277 280 C C 2.838 177.801 174.990 -0.045 0.000 1.262 280 C CA 0.724 59.711 59.018 -0.052 0.000 1.733 280 C CB -0.535 27.179 27.740 -0.043 0.000 2.010 280 C HN 0.414 nan 8.230 nan 0.000 0.483 281 K N 0.331 120.703 120.400 -0.048 0.000 2.052 281 K HA -0.235 4.085 4.320 -0.000 0.000 0.215 281 K C 1.701 178.279 176.600 -0.036 0.000 1.053 281 K CA 1.656 57.919 56.287 -0.040 0.000 0.934 281 K CB -0.437 32.038 32.500 -0.043 0.000 0.717 281 K HN 0.495 nan 8.250 nan 0.000 0.450 282 L N 0.766 121.963 121.223 -0.043 0.000 2.197 282 L HA -0.206 4.134 4.340 -0.000 0.000 0.215 282 L C 1.502 178.357 176.870 -0.024 0.000 1.095 282 L CA 0.862 55.681 54.840 -0.036 0.000 0.764 282 L CB -0.450 41.579 42.059 -0.050 0.000 0.897 282 L HN 0.240 nan 8.230 nan 0.000 0.436 283 L N 0.534 121.742 121.223 -0.026 0.000 2.862 283 L HA 0.105 4.444 4.340 -0.000 0.000 0.240 283 L C 0.376 177.238 176.870 -0.013 0.000 1.283 283 L CA 0.019 54.849 54.840 -0.016 0.000 1.117 283 L CB -0.494 41.555 42.059 -0.017 0.000 1.444 283 L HN 0.156 nan 8.230 nan 0.000 0.456 284 R N 0.620 121.113 120.500 -0.013 0.000 2.338 284 R HA 0.633 4.973 4.340 -0.000 0.000 0.317 284 R C 0.030 176.325 176.300 -0.007 0.000 0.968 284 R CA -0.363 55.730 56.100 -0.011 0.000 0.849 284 R CB 1.816 32.108 30.300 -0.014 0.000 1.128 284 R HN 0.264 nan 8.270 nan 0.000 0.448 285 G N 1.568 110.365 108.800 -0.005 0.000 3.067 285 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.686 285 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.686 285 G C -0.363 174.536 174.900 -0.001 0.000 1.119 285 G CA -1.123 43.975 45.100 -0.003 0.000 0.790 285 G HN 0.483 nan 8.290 nan 0.000 0.605 286 T N 3.344 117.897 114.554 -0.000 0.000 2.561 286 T HA 0.186 4.536 4.350 -0.000 0.000 0.245 286 T C 0.667 175.368 174.700 0.002 0.000 1.071 286 T CA 0.967 63.067 62.100 0.001 0.000 1.368 286 T CB -0.160 68.708 68.868 0.001 0.000 1.061 286 T HN 0.567 nan 8.240 nan 0.000 0.511 287 K N 1.786 122.188 120.400 0.003 0.000 2.259 287 K HA 0.644 4.964 4.320 -0.000 0.000 0.252 287 K C 0.315 176.918 176.600 0.006 0.000 0.936 287 K CA -0.906 55.384 56.287 0.005 0.000 0.810 287 K CB 2.063 34.567 32.500 0.007 0.000 1.143 287 K HN 0.569 nan 8.250 nan 0.000 0.427 288 A N 1.888 124.711 122.820 0.006 0.000 2.583 288 A HA -0.067 4.253 4.320 -0.000 0.000 0.231 288 A C 0.930 178.519 177.584 0.008 0.000 1.065 288 A CA 0.060 52.100 52.037 0.006 0.000 0.760 288 A CB 0.049 19.052 19.000 0.005 0.000 1.001 288 A HN 0.799 nan 8.150 nan 0.000 0.509 289 L N 1.481 122.708 121.223 0.007 0.000 2.478 289 L HA 0.030 4.370 4.340 -0.000 0.000 0.223 289 L C 1.946 178.824 176.870 0.012 0.000 1.140 289 L CA 2.393 57.238 54.840 0.009 0.000 0.842 289 L CB -0.156 41.906 42.059 0.005 0.000 0.953 289 L HN 0.820 nan 8.230 nan 0.000 0.452 290 T N -3.812 110.747 114.554 0.009 0.000 3.054 290 T HA 0.127 4.477 4.350 -0.000 0.000 0.255 290 T C 0.684 175.391 174.700 0.012 0.000 1.035 290 T CA -0.400 61.705 62.100 0.008 0.000 0.941 290 T CB -0.152 68.716 68.868 0.000 0.000 1.026 290 T HN 0.264 nan 8.240 nan 0.000 0.533 291 E N 2.137 122.347 120.200 0.016 0.000 2.324 291 E HA 0.264 4.614 4.350 -0.000 0.000 0.271 291 E C -0.591 176.029 176.600 0.032 0.000 1.028 291 E CA -0.251 56.160 56.400 0.019 0.000 0.890 291 E CB 0.791 30.500 29.700 0.016 0.000 1.004 291 E HN 0.072 nan 8.360 nan 0.000 0.431 292 V N 6.315 126.248 119.914 0.032 0.000 2.686 292 V HA 0.165 4.285 4.120 -0.000 0.000 0.295 292 V C 0.448 176.575 176.094 0.056 0.000 1.055 292 V CA 0.131 62.461 62.300 0.050 0.000 1.050 292 V CB 0.869 32.713 31.823 0.034 0.000 0.984 292 V HN 0.573 nan 8.190 nan 0.000 0.482 293 I N 6.054 126.675 120.570 0.084 0.000 2.447 293 I HA 0.375 4.545 4.170 -0.000 0.000 0.287 293 I C -2.481 173.684 176.117 0.079 0.000 1.023 293 I CA -1.950 59.389 61.300 0.065 0.000 1.083 293 I CB 2.315 40.344 38.000 0.050 0.000 1.245 293 I HN 0.463 nan 8.210 nan 0.000 0.434 294 P HA 0.190 nan 4.420 nan 0.000 0.271 294 P C -0.740 176.581 177.300 0.035 0.000 1.220 294 P CA -0.392 62.741 63.100 0.054 0.000 0.768 294 P CB 0.489 32.209 31.700 0.033 0.000 0.848 295 L N 3.264 124.511 121.223 0.040 0.000 2.416 295 L HA 0.204 4.544 4.340 -0.000 0.000 0.272 295 L C 1.400 178.262 176.870 -0.013 0.000 1.161 295 L CA 0.601 55.435 54.840 -0.009 0.000 0.845 295 L CB -0.002 42.039 42.059 -0.030 0.000 1.119 295 L HN 0.462 nan 8.230 nan 0.000 0.464 296 T N -1.060 113.476 114.554 -0.030 0.000 2.754 296 T HA 0.168 4.518 4.350 -0.000 0.000 0.286 296 T C 1.024 175.706 174.700 -0.031 0.000 0.997 296 T CA -0.522 61.562 62.100 -0.027 0.000 0.982 296 T CB 0.630 69.478 68.868 -0.033 0.000 1.027 296 T HN 0.633 nan 8.240 nan 0.000 0.529 297 E N 0.694 120.878 120.200 -0.027 0.000 2.012 297 E HA -0.199 4.151 4.350 -0.000 0.000 0.197 297 E C 2.157 178.734 176.600 -0.038 0.000 1.007 297 E CA 1.875 58.258 56.400 -0.027 0.000 0.816 297 E CB -0.215 29.470 29.700 -0.024 0.000 0.762 297 E HN 0.788 nan 8.360 nan 0.000 0.451 298 E N 0.909 121.084 120.200 -0.042 0.000 2.086 298 E HA -0.245 4.105 4.350 -0.000 0.000 0.200 298 E C 1.891 178.453 176.600 -0.064 0.000 1.012 298 E CA 1.455 57.825 56.400 -0.051 0.000 0.812 298 E CB -0.330 29.339 29.700 -0.051 0.000 0.743 298 E HN 0.303 nan 8.360 nan 0.000 0.453 299 A N 1.529 124.305 122.820 -0.072 0.000 1.851 299 A HA -0.276 4.044 4.320 -0.000 0.000 0.216 299 A C 2.091 179.611 177.584 -0.107 0.000 1.195 299 A CA 1.700 53.676 52.037 -0.101 0.000 0.622 299 A CB -0.574 18.360 19.000 -0.111 0.000 0.831 299 A HN 0.123 nan 8.150 nan 0.000 0.444 300 E N -0.516 119.635 120.200 -0.081 0.000 2.147 300 E HA -0.231 4.119 4.350 -0.000 0.000 0.199 300 E C 1.952 178.518 176.600 -0.057 0.000 1.005 300 E CA 1.410 57.773 56.400 -0.062 0.000 0.810 300 E CB -0.415 29.268 29.700 -0.028 0.000 0.736 300 E HN 0.497 nan 8.360 nan 0.000 0.460 301 L N 0.827 122.017 121.223 -0.055 0.000 2.044 301 L HA -0.102 4.238 4.340 -0.000 0.000 0.205 301 L C 2.439 179.272 176.870 -0.062 0.000 1.075 301 L CA 1.445 56.255 54.840 -0.050 0.000 0.747 301 L CB -0.640 41.392 42.059 -0.045 0.000 0.903 301 L HN 0.094 nan 8.230 nan 0.000 0.435 302 E N -0.257 119.898 120.200 -0.075 0.000 2.070 302 E HA -0.287 4.063 4.350 -0.000 0.000 0.197 302 E C 2.186 178.729 176.600 -0.095 0.000 1.004 302 E CA 1.335 57.685 56.400 -0.083 0.000 0.805 302 E CB -0.173 29.472 29.700 -0.092 0.000 0.744 302 E HN 0.248 nan 8.360 nan 0.000 0.451 303 L N 0.539 121.691 121.223 -0.118 0.000 2.187 303 L HA -0.122 4.218 4.340 -0.000 0.000 0.213 303 L C 2.001 178.820 176.870 -0.085 0.000 1.100 303 L CA 1.963 56.724 54.840 -0.132 0.000 0.765 303 L CB -0.597 41.351 42.059 -0.184 0.000 0.904 303 L HN 0.163 nan 8.230 nan 0.000 0.437 304 A N -0.706 122.074 122.820 -0.065 0.000 1.832 304 A HA -0.188 4.132 4.320 -0.000 0.000 0.214 304 A C 2.159 179.713 177.584 -0.050 0.000 1.200 304 A CA 1.529 53.538 52.037 -0.045 0.000 0.610 304 A CB -0.700 18.279 19.000 -0.036 0.000 0.842 304 A HN 0.527 nan 8.150 nan 0.000 0.444 305 E N -0.027 120.141 120.200 -0.054 0.000 2.097 305 E HA -0.225 4.125 4.350 -0.000 0.000 0.196 305 E C 1.859 178.421 176.600 -0.064 0.000 1.000 305 E CA 1.323 57.690 56.400 -0.054 0.000 0.804 305 E CB -0.247 29.420 29.700 -0.054 0.000 0.740 305 E HN 0.526 nan 8.360 nan 0.000 0.454 306 N N 0.568 119.222 118.700 -0.077 0.000 2.084 306 N HA -0.117 4.623 4.740 -0.000 0.000 0.190 306 N C 1.724 177.174 175.510 -0.101 0.000 1.030 306 N CA 0.737 53.730 53.050 -0.094 0.000 0.849 306 N CB -0.228 38.198 38.487 -0.102 0.000 1.012 306 N HN 0.110 nan 8.380 nan 0.000 0.423 307 R N 1.038 121.490 120.500 -0.079 0.000 2.117 307 R HA -0.146 4.194 4.340 -0.000 0.000 0.243 307 R C 1.910 178.170 176.300 -0.066 0.000 1.143 307 R CA 1.069 57.130 56.100 -0.065 0.000 0.968 307 R CB -0.355 29.924 30.300 -0.036 0.000 0.863 307 R HN 0.315 nan 8.270 nan 0.000 0.444 308 E N 0.804 120.970 120.200 -0.058 0.000 2.017 308 E HA -0.097 4.253 4.350 -0.000 0.000 0.193 308 E C 1.946 178.512 176.600 -0.056 0.000 0.997 308 E CA 1.115 57.487 56.400 -0.047 0.000 0.804 308 E CB -0.275 29.402 29.700 -0.039 0.000 0.757 308 E HN 0.246 nan 8.360 nan 0.000 0.448 309 I N 0.427 120.956 120.570 -0.068 0.000 2.502 309 I HA -0.270 3.900 4.170 -0.000 0.000 0.258 309 I C 1.637 177.679 176.117 -0.125 0.000 1.172 309 I CA 0.913 62.174 61.300 -0.065 0.000 1.430 309 I CB -0.220 37.738 38.000 -0.070 0.000 1.086 309 I HN 0.174 nan 8.210 nan 0.000 0.440 310 L N 0.433 121.539 121.223 -0.197 0.000 2.616 310 L HA 0.021 4.360 4.340 -0.000 0.000 0.229 310 L C 2.400 179.195 176.870 -0.124 0.000 1.110 310 L CA 0.052 54.715 54.840 -0.294 0.000 0.884 310 L CB -0.313 41.540 42.059 -0.343 0.000 1.115 310 L HN 0.254 nan 8.230 nan 0.000 0.481 311 K N 1.898 122.260 120.400 -0.063 0.000 2.147 311 K HA -0.136 4.184 4.320 -0.000 0.000 0.205 311 K C 0.390 176.992 176.600 0.004 0.000 1.049 311 K CA 0.951 57.223 56.287 -0.024 0.000 0.936 311 K CB -0.162 32.328 32.500 -0.017 0.000 0.722 311 K HN 0.459 nan 8.250 nan 0.000 0.446 312 E N 1.613 121.828 120.200 0.024 0.000 2.187 312 E HA 0.382 4.732 4.350 -0.000 0.000 0.268 312 E C -2.735 173.921 176.600 0.093 0.000 0.896 312 E CA -3.054 53.374 56.400 0.047 0.000 0.766 312 E CB 1.422 31.143 29.700 0.034 0.000 1.142 312 E HN -0.116 nan 8.360 nan 0.000 0.408 313 P HA -0.007 nan 4.420 nan 0.000 0.265 313 P C -1.030 176.221 177.300 -0.081 0.000 1.193 313 P CA -0.098 63.014 63.100 0.020 0.000 0.765 313 P CB 0.650 32.361 31.700 0.019 0.000 0.823 314 V N 4.345 124.064 119.914 -0.325 0.000 2.588 314 V HA 0.357 4.477 4.120 -0.000 0.000 0.304 314 V C -0.367 175.244 176.094 -0.806 0.000 1.042 314 V CA -0.527 61.478 62.300 -0.491 0.000 0.877 314 V CB 1.623 33.054 31.823 -0.652 0.000 0.996 314 V HN 0.588 nan 8.190 nan 0.000 0.425 315 H N 1.289 120.067 119.070 -0.487 0.000 2.679 315 H HA 0.752 5.308 4.556 -0.000 0.000 0.367 315 H C 0.461 175.351 175.328 -0.729 0.000 1.162 315 H CA 0.077 55.757 56.048 -0.613 0.000 1.181 315 H CB 1.869 31.344 29.762 -0.477 0.000 1.693 315 H HN 0.876 nan 8.280 nan 0.000 0.538 316 G N 0.193 108.350 108.800 -1.072 0.000 2.522 316 G HA2 0.464 4.424 3.960 -0.000 0.000 0.304 316 G HA3 0.464 4.424 3.960 -0.000 0.000 0.304 316 G C -0.889 173.647 174.900 -0.605 0.000 1.210 316 G CA -0.417 44.060 45.100 -1.038 0.000 0.960 316 G HN 0.507 nan 8.290 nan 0.000 0.497 317 V N -0.717 119.097 119.914 -0.167 0.000 2.960 317 V HA 0.666 4.786 4.120 -0.000 0.000 0.315 317 V C -1.083 175.082 176.094 0.118 0.000 1.087 317 V CA -1.134 61.120 62.300 -0.077 0.000 0.982 317 V CB 1.710 33.526 31.823 -0.011 0.000 1.039 317 V HN 0.646 nan 8.190 nan 0.000 0.437 318 Y N 2.582 123.038 120.300 0.261 0.000 2.316 318 Y HA 0.340 4.890 4.550 -0.000 0.000 0.324 318 Y C -0.170 175.881 175.900 0.252 0.000 1.267 318 Y CA -0.129 58.129 58.100 0.263 0.000 1.311 318 Y CB 0.809 39.373 38.460 0.173 0.000 1.267 318 Y HN 0.692 nan 8.280 nan 0.000 0.516 319 Y N 2.641 123.150 120.300 0.347 0.000 2.425 319 Y HA 0.093 4.643 4.550 -0.000 0.000 0.331 319 Y C -0.438 175.530 175.900 0.115 0.000 1.157 319 Y CA -0.856 57.368 58.100 0.207 0.000 1.372 319 Y CB 0.427 39.086 38.460 0.331 0.000 1.253 319 Y HN 0.493 nan 8.280 nan 0.000 0.536 320 D N 8.111 128.275 120.400 -0.394 0.000 2.462 320 D HA 0.326 4.966 4.640 -0.000 0.000 0.245 320 D C -2.269 173.561 176.300 -0.783 0.000 1.122 320 D CA -2.549 51.171 54.000 -0.467 0.000 0.864 320 D CB 2.032 42.725 40.800 -0.179 0.000 1.098 320 D HN 0.297 nan 8.370 nan 0.000 0.541 321 P HA -0.130 nan 4.420 nan 0.000 0.219 321 P C 1.104 178.268 177.300 -0.227 0.000 1.146 321 P CA 0.997 63.774 63.100 -0.537 0.000 0.808 321 P CB 0.183 31.702 31.700 -0.301 0.000 0.779 322 S N -2.478 113.108 115.700 -0.189 0.000 2.607 322 S HA 0.072 4.542 4.470 -0.000 0.000 0.224 322 S C 0.651 175.199 174.600 -0.087 0.000 0.969 322 S CA 0.221 58.357 58.200 -0.106 0.000 0.927 322 S CB -0.655 62.492 63.200 -0.088 0.000 0.772 322 S HN 0.100 nan 8.310 nan 0.000 0.533 323 K N 0.485 120.824 120.400 -0.102 0.000 2.350 323 K HA 0.514 4.834 4.320 -0.000 0.000 0.241 323 K C -1.245 175.324 176.600 -0.052 0.000 0.994 323 K CA -0.965 55.281 56.287 -0.069 0.000 0.839 323 K CB 0.921 33.380 32.500 -0.068 0.000 1.244 323 K HN -0.017 nan 8.250 nan 0.000 0.443 324 D N 0.434 120.796 120.400 -0.062 0.000 2.433 324 D HA 0.291 4.931 4.640 -0.000 0.000 0.255 324 D C -0.647 175.562 176.300 -0.151 0.000 1.226 324 D CA -0.168 53.779 54.000 -0.089 0.000 1.015 324 D CB 0.552 41.295 40.800 -0.094 0.000 1.091 324 D HN -0.007 nan 8.370 nan 0.000 0.527 325 L N 1.215 122.293 121.223 -0.241 0.000 2.333 325 L HA 0.396 4.736 4.340 -0.000 0.000 0.280 325 L C -0.562 176.048 176.870 -0.433 0.000 1.004 325 L CA -0.668 53.932 54.840 -0.399 0.000 0.820 325 L CB 1.188 42.921 42.059 -0.542 0.000 1.247 325 L HN 0.200 nan 8.230 nan 0.000 0.416 326 I N 2.461 122.694 120.570 -0.562 0.000 2.441 326 I HA 0.737 4.906 4.170 -0.000 0.000 0.295 326 I C 0.170 175.818 176.117 -0.782 0.000 0.994 326 I CA -0.983 59.928 61.300 -0.648 0.000 1.144 326 I CB 1.671 39.249 38.000 -0.704 0.000 1.314 326 I HN 0.647 nan 8.210 nan 0.000 0.445 327 A N 5.913 128.391 122.820 -0.569 0.000 2.353 327 A HA 0.732 5.051 4.320 -0.000 0.000 0.299 327 A C -0.612 176.890 177.584 -0.138 0.000 1.089 327 A CA -0.619 51.194 52.037 -0.374 0.000 0.736 327 A CB 0.940 19.665 19.000 -0.458 0.000 1.195 327 A HN 0.721 nan 8.150 nan 0.000 0.447 328 E N 2.083 122.288 120.200 0.009 0.000 2.171 328 E HA 0.570 4.920 4.350 -0.000 0.000 0.271 328 E C -1.121 175.588 176.600 0.182 0.000 0.916 328 E CA -0.408 56.062 56.400 0.115 0.000 0.774 328 E CB 2.361 32.161 29.700 0.168 0.000 1.128 328 E HN 0.613 nan 8.360 nan 0.000 0.403 329 I N 2.594 123.268 120.570 0.173 0.000 2.412 329 I HA 0.193 4.363 4.170 -0.000 0.000 0.296 329 I C -0.587 175.673 176.117 0.237 0.000 0.987 329 I CA -0.781 60.655 61.300 0.227 0.000 1.180 329 I CB 1.543 39.624 38.000 0.136 0.000 1.340 329 I HN 0.385 nan 8.210 nan 0.000 0.455 330 Q N 5.081 125.040 119.800 0.265 0.000 2.353 330 Q HA 0.341 4.681 4.340 -0.000 0.000 0.268 330 Q C -0.678 175.416 176.000 0.158 0.000 1.045 330 Q CA -0.793 55.118 55.803 0.179 0.000 0.811 330 Q CB 2.289 31.076 28.738 0.082 0.000 1.305 330 Q HN 0.328 nan 8.270 nan 0.000 0.447 331 K N 2.495 122.870 120.400 -0.041 0.000 2.316 331 K HA 0.118 4.438 4.320 -0.000 0.000 0.289 331 K C -0.172 176.213 176.600 -0.357 0.000 1.070 331 K CA 0.162 56.100 56.287 -0.580 0.000 0.928 331 K CB 0.664 32.664 32.500 -0.832 0.000 1.039 331 K HN 0.689 nan 8.250 nan 0.000 0.480 332 Q N 2.471 122.067 119.800 -0.341 0.000 2.495 332 Q HA 0.140 4.480 4.340 -0.000 0.000 0.556 332 Q C 1.020 176.878 176.000 -0.236 0.000 1.059 332 Q CA 0.528 56.209 55.803 -0.204 0.000 0.593 332 Q CB -0.092 28.565 28.738 -0.135 0.000 4.372 332 Q HN 0.854 nan 8.270 nan 0.000 0.292 333 G N -0.032 108.648 108.800 -0.200 0.000 2.580 333 G HA2 0.052 4.012 3.960 -0.000 0.000 0.225 333 G HA3 0.052 4.012 3.960 -0.000 0.000 0.225 333 G C -0.697 174.067 174.900 -0.227 0.000 1.521 333 G CA -0.223 44.772 45.100 -0.177 0.000 1.068 333 G HN 0.291 nan 8.290 nan 0.000 0.564 334 Q N -0.506 119.195 119.800 -0.165 0.000 2.288 334 Q HA 0.457 4.797 4.340 -0.000 0.000 0.254 334 Q C 1.092 177.013 176.000 -0.132 0.000 0.932 334 Q CA 0.984 56.697 55.803 -0.150 0.000 0.902 334 Q CB 0.804 29.480 28.738 -0.102 0.000 1.203 334 Q HN 1.247 nan 8.270 nan 0.000 0.415 335 G N 3.104 111.842 108.800 -0.104 0.000 2.244 335 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.274 335 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.274 335 G C -0.219 174.676 174.900 -0.008 0.000 1.002 335 G CA 0.725 45.842 45.100 0.027 0.000 0.740 335 G HN 0.558 nan 8.290 nan 0.000 0.516 336 Q N -1.298 118.362 119.800 -0.233 0.000 2.322 336 Q HA 0.595 4.935 4.340 -0.000 0.000 0.265 336 Q C -0.901 174.897 176.000 -0.337 0.000 0.985 336 Q CA -0.737 54.971 55.803 -0.157 0.000 0.849 336 Q CB 1.275 29.931 28.738 -0.135 0.000 1.274 336 Q HN 0.383 nan 8.270 nan 0.000 0.449 337 W N 0.709 122.067 121.300 0.096 0.000 2.936 337 W HA 0.563 5.223 4.660 -0.000 0.000 0.338 337 W C -0.105 176.524 176.519 0.182 0.000 1.121 337 W CA -0.616 56.816 57.345 0.145 0.000 1.209 337 W CB 2.072 31.657 29.460 0.208 0.000 1.420 337 W HN 0.354 nan 8.180 nan 0.000 0.516 338 T N 1.517 116.302 114.554 0.386 0.000 2.906 338 T HA 0.773 5.123 4.350 -0.000 0.000 0.295 338 T C -1.671 173.255 174.700 0.378 0.000 1.075 338 T CA -0.444 61.833 62.100 0.295 0.000 1.005 338 T CB 1.046 69.985 68.868 0.119 0.000 1.136 338 T HN 0.415 nan 8.240 nan 0.000 0.498 339 Y N 0.445 120.822 120.300 0.129 0.000 2.609 339 Y HA 0.819 5.368 4.550 -0.000 0.000 0.336 339 Y C -1.528 174.424 175.900 0.087 0.000 1.129 339 Y CA -1.265 56.900 58.100 0.107 0.000 1.040 339 Y CB 1.066 39.589 38.460 0.104 0.000 1.310 339 Y HN 0.538 nan 8.280 nan 0.000 0.460 340 Q N 1.996 121.889 119.800 0.155 0.000 2.397 340 Q HA 0.745 5.085 4.340 -0.000 0.000 0.275 340 Q C -1.494 174.578 176.000 0.120 0.000 1.090 340 Q CA -0.616 55.240 55.803 0.089 0.000 0.809 340 Q CB 3.327 32.163 28.738 0.163 0.000 1.362 340 Q HN 0.757 nan 8.270 nan 0.000 0.431 341 I N 2.887 123.505 120.570 0.081 0.000 2.466 341 I HA 0.564 4.734 4.170 -0.000 0.000 0.289 341 I C -1.261 174.828 176.117 -0.047 0.000 1.026 341 I CA -0.988 60.260 61.300 -0.086 0.000 1.078 341 I CB 1.011 39.003 38.000 -0.013 0.000 1.249 341 I HN 0.675 nan 8.210 nan 0.000 0.429 342 Y N 3.242 123.470 120.300 -0.120 0.000 2.705 342 Y HA 0.512 5.062 4.550 -0.000 0.000 0.332 342 Y C -0.256 175.556 175.900 -0.147 0.000 1.221 342 Y CA -0.896 57.145 58.100 -0.099 0.000 1.059 342 Y CB 1.004 39.456 38.460 -0.013 0.000 1.298 342 Y HN 0.449 nan 8.280 nan 0.000 0.459 343 Q N -0.272 119.648 119.800 0.200 0.000 2.534 343 Q HA 0.144 4.484 4.340 -0.000 0.000 0.252 343 Q C -0.618 175.463 176.000 0.136 0.000 0.850 343 Q CA 0.148 56.001 55.803 0.082 0.000 0.974 343 Q CB 1.239 29.977 28.738 0.001 0.000 1.205 343 Q HN 0.711 nan 8.270 nan 0.000 0.593 344 E N 2.316 122.570 120.200 0.091 0.000 2.133 344 E HA 0.228 4.578 4.350 -0.000 0.000 0.274 344 E C -2.570 173.907 176.600 -0.205 0.000 0.930 344 E CA -2.540 53.836 56.400 -0.041 0.000 0.770 344 E CB 1.266 30.932 29.700 -0.057 0.000 1.104 344 E HN -0.224 nan 8.360 nan 0.000 0.403 345 P HA -0.138 nan 4.420 nan 0.000 0.243 345 P C -0.734 176.027 177.300 -0.898 0.000 1.107 345 P CA 1.263 63.791 63.100 -0.955 0.000 0.848 345 P CB -0.384 30.778 31.700 -0.896 0.000 0.771 346 F N -0.096 119.355 119.950 -0.831 0.000 2.544 346 F HA -0.249 4.278 4.527 -0.000 0.000 0.389 346 F C 0.784 176.423 175.800 -0.268 0.000 0.588 346 F CA 0.018 57.727 58.000 -0.484 0.000 1.461 346 F CB -1.171 37.643 39.000 -0.310 0.000 1.995 346 F HN 0.284 nan 8.300 nan 0.000 0.282 347 K N 2.245 122.605 120.400 -0.066 0.000 2.180 347 K HA 0.195 4.515 4.320 -0.000 0.000 0.250 347 K C 0.058 176.681 176.600 0.038 0.000 1.135 347 K CA -0.485 55.788 56.287 -0.023 0.000 1.037 347 K CB 0.169 32.651 32.500 -0.030 0.000 1.624 347 K HN 0.028 nan 8.250 nan 0.000 0.382 348 N N 1.897 120.621 118.700 0.041 0.000 2.293 348 N HA -0.101 4.639 4.740 -0.000 0.000 0.253 348 N C 0.852 176.418 175.510 0.093 0.000 1.248 348 N CA 0.331 53.439 53.050 0.097 0.000 0.845 348 N CB 0.619 39.113 38.487 0.010 0.000 1.073 348 N HN 0.422 nan 8.380 nan 0.000 0.464 349 L N 1.256 122.580 121.223 0.169 0.000 2.357 349 L HA 0.207 4.547 4.340 -0.000 0.000 0.211 349 L C 0.738 177.869 176.870 0.435 0.000 1.075 349 L CA 0.571 55.579 54.840 0.279 0.000 0.830 349 L CB 0.200 42.377 42.059 0.197 0.000 0.996 349 L HN 0.553 nan 8.230 nan 0.000 0.467 350 K N -1.628 118.953 120.400 0.302 0.000 2.622 350 K HA 0.268 4.588 4.320 -0.000 0.000 0.273 350 K C -1.290 175.359 176.600 0.081 0.000 0.957 350 K CA -0.470 55.990 56.287 0.290 0.000 0.861 350 K CB 1.669 34.319 32.500 0.250 0.000 1.405 350 K HN -0.263 nan 8.250 nan 0.000 0.406 351 T N 0.151 114.684 114.554 -0.034 0.000 2.819 351 T HA 0.902 5.252 4.350 -0.000 0.000 0.271 351 T C -0.386 174.014 174.700 -0.500 0.000 0.986 351 T CA -0.063 61.890 62.100 -0.244 0.000 0.989 351 T CB 1.533 70.308 68.868 -0.156 0.000 1.396 351 T HN 0.847 nan 8.240 nan 0.000 0.597 352 G N 0.155 108.553 108.800 -0.670 0.000 2.313 352 G HA2 0.529 4.489 3.960 -0.000 0.000 0.296 352 G HA3 0.529 4.489 3.960 -0.000 0.000 0.296 352 G C -2.319 172.392 174.900 -0.316 0.000 1.356 352 G CA -0.875 43.860 45.100 -0.608 0.000 0.833 352 G HN 0.812 nan 8.290 nan 0.000 0.552 353 K N -1.286 119.199 120.400 0.142 0.000 2.546 353 K HA 0.682 5.002 4.320 -0.000 0.000 0.264 353 K C -2.205 174.639 176.600 0.406 0.000 0.937 353 K CA -1.125 55.332 56.287 0.284 0.000 0.833 353 K CB 2.610 35.189 32.500 0.131 0.000 1.378 353 K HN 0.799 nan 8.250 nan 0.000 0.432 354 Y N 1.071 121.549 120.300 0.297 0.000 2.391 354 Y HA 0.626 5.176 4.550 -0.000 0.000 0.341 354 Y C -0.590 175.454 175.900 0.240 0.000 0.965 354 Y CA -0.251 57.978 58.100 0.215 0.000 1.067 354 Y CB 2.339 40.878 38.460 0.131 0.000 1.199 354 Y HN 0.889 nan 8.280 nan 0.000 0.450 355 A N 5.188 127.690 122.820 -0.530 0.000 2.664 355 A HA 0.255 4.575 4.320 -0.000 0.000 0.222 355 A C 0.529 177.832 177.584 -0.467 0.000 1.320 355 A CA -0.469 51.379 52.037 -0.315 0.000 1.029 355 A CB 0.006 18.933 19.000 -0.123 0.000 1.318 355 A HN 0.702 nan 8.150 nan 0.000 0.589 356 R N 0.925 120.919 120.500 -0.843 0.000 2.547 356 R HA -0.036 4.304 4.340 -0.000 0.000 0.269 356 R C 1.365 177.542 176.300 -0.205 0.000 0.968 356 R CA 0.870 56.704 56.100 -0.443 0.000 1.101 356 R CB 0.219 30.326 30.300 -0.320 0.000 0.898 356 R HN 0.636 nan 8.270 nan 0.000 0.416 357 M N 2.288 121.845 119.600 -0.072 0.000 2.155 357 M HA 0.094 4.574 4.480 -0.000 0.000 0.258 357 M C 0.761 177.086 176.300 0.042 0.000 1.092 357 M CA 0.620 55.918 55.300 -0.004 0.000 1.153 357 M CB -0.073 32.520 32.600 -0.011 0.000 1.316 357 M HN 0.580 nan 8.290 nan 0.000 0.431 358 R N 1.905 122.429 120.500 0.040 0.000 3.056 358 R HA -0.032 4.308 4.340 -0.000 0.000 0.264 358 R C -0.050 176.284 176.300 0.058 0.000 1.005 358 R CA 0.829 56.968 56.100 0.066 0.000 0.665 358 R CB -1.793 28.568 30.300 0.103 0.000 1.296 358 R HN 1.245 nan 8.270 nan 0.000 0.404 359 G N -0.582 108.235 108.800 0.027 0.000 2.693 359 G HA2 0.197 4.157 3.960 -0.000 0.000 0.226 359 G HA3 0.197 4.157 3.960 -0.000 0.000 0.226 359 G C -0.040 174.828 174.900 -0.054 0.000 1.354 359 G CA -0.233 44.865 45.100 -0.004 0.000 0.873 359 G HN 1.363 nan 8.290 nan 0.000 0.562 360 A N -1.237 121.477 122.820 -0.177 0.000 2.299 360 A HA 0.903 5.223 4.320 -0.000 0.000 0.332 360 A C 0.343 177.735 177.584 -0.320 0.000 1.131 360 A CA 0.618 52.459 52.037 -0.326 0.000 0.844 360 A CB 0.410 19.059 19.000 -0.586 0.000 1.251 360 A HN 2.345 nan 8.150 nan 0.000 0.486 361 H N -1.631 117.490 119.070 0.084 0.000 3.420 361 H HA -0.072 4.484 4.556 -0.000 0.000 0.334 361 H C -0.356 175.040 175.328 0.112 0.000 0.989 361 H CA 0.695 56.802 56.048 0.098 0.000 1.032 361 H CB -1.277 28.550 29.762 0.108 0.000 1.535 361 H HN 0.787 nan 8.280 nan 0.000 0.362 362 T N 1.579 116.246 114.554 0.188 0.000 2.885 362 T HA 0.430 4.780 4.350 -0.000 0.000 0.322 362 T C -1.145 173.600 174.700 0.076 0.000 1.387 362 T CA -0.707 61.467 62.100 0.123 0.000 1.041 362 T CB 1.365 70.295 68.868 0.104 0.000 1.287 362 T HN 0.708 nan 8.240 nan 0.000 0.491 363 N N 1.243 119.932 118.700 -0.018 0.000 2.381 363 N HA 0.456 5.196 4.740 -0.000 0.000 0.294 363 N C 0.376 175.847 175.510 -0.065 0.000 1.216 363 N CA -0.716 52.305 53.050 -0.048 0.000 0.803 363 N CB 0.788 39.172 38.487 -0.172 0.000 1.372 363 N HN 0.298 nan 8.380 nan 0.000 0.500 364 D N 0.088 120.522 120.400 0.057 0.000 2.149 364 D HA -0.156 4.484 4.640 -0.000 0.000 0.194 364 D C 1.656 177.930 176.300 -0.044 0.000 1.001 364 D CA 1.301 55.410 54.000 0.181 0.000 0.849 364 D CB -0.299 40.684 40.800 0.304 0.000 0.939 364 D HN 0.380 nan 8.370 nan 0.000 0.449 365 V N 0.655 120.388 119.914 -0.303 0.000 2.343 365 V HA -0.256 3.864 4.120 -0.000 0.000 0.247 365 V C 2.450 178.275 176.094 -0.448 0.000 1.051 365 V CA 1.703 63.734 62.300 -0.449 0.000 1.036 365 V CB -0.456 30.833 31.823 -0.891 0.000 0.654 365 V HN 0.138 nan 8.190 nan 0.000 0.451 366 K N -0.286 119.795 120.400 -0.530 0.000 2.026 366 K HA -0.212 4.108 4.320 -0.000 0.000 0.208 366 K C 2.349 178.816 176.600 -0.222 0.000 1.048 366 K CA 1.617 57.720 56.287 -0.306 0.000 0.929 366 K CB -0.179 32.184 32.500 -0.229 0.000 0.713 366 K HN 0.508 nan 8.250 nan 0.000 0.439 367 Q N 0.156 119.845 119.800 -0.184 0.000 2.061 367 Q HA -0.203 4.137 4.340 -0.000 0.000 0.204 367 Q C 2.187 177.791 176.000 -0.659 0.000 0.984 367 Q CA 1.491 57.172 55.803 -0.204 0.000 0.846 367 Q CB -0.253 28.544 28.738 0.099 0.000 0.902 367 Q HN 0.283 nan 8.270 nan 0.000 0.421 368 L N 0.726 121.445 121.223 -0.841 0.000 2.079 368 L HA -0.151 4.189 4.340 -0.000 0.000 0.210 368 L C 2.080 178.474 176.870 -0.794 0.000 1.081 368 L CA 1.973 56.164 54.840 -1.082 0.000 0.752 368 L CB -0.841 40.729 42.059 -0.814 0.000 0.896 368 L HN 0.081 nan 8.230 nan 0.000 0.433 369 T N -0.669 113.560 114.554 -0.542 0.000 2.788 369 T HA -0.176 4.174 4.350 -0.000 0.000 0.268 369 T C 1.730 176.141 174.700 -0.482 0.000 1.044 369 T CA 1.659 63.489 62.100 -0.450 0.000 1.139 369 T CB -0.162 68.633 68.868 -0.121 0.000 0.867 369 T HN 0.452 nan 8.240 nan 0.000 0.454 370 E N 0.774 120.692 120.200 -0.469 0.000 2.051 370 E HA -0.045 4.305 4.350 -0.000 0.000 0.192 370 E C 2.460 178.540 176.600 -0.865 0.000 0.991 370 E CA 1.023 57.124 56.400 -0.499 0.000 0.799 370 E CB -0.191 29.325 29.700 -0.307 0.000 0.748 370 E HN 0.463 nan 8.360 nan 0.000 0.449 371 A N 0.400 122.534 122.820 -1.143 0.000 1.930 371 A HA -0.127 4.193 4.320 -0.000 0.000 0.217 371 A C 2.399 179.513 177.584 -0.783 0.000 1.175 371 A CA 1.017 52.347 52.037 -1.178 0.000 0.627 371 A CB -0.450 17.958 19.000 -0.987 0.000 0.815 371 A HN 0.137 nan 8.150 nan 0.000 0.443 372 V N -0.304 119.141 119.914 -0.781 0.000 2.358 372 V HA -0.235 3.884 4.120 -0.000 0.000 0.246 372 V C 2.770 178.517 176.094 -0.578 0.000 1.047 372 V CA 1.989 63.774 62.300 -0.858 0.000 1.035 372 V CB -0.658 30.446 31.823 -1.198 0.000 0.658 372 V HN 0.518 nan 8.190 nan 0.000 0.452 373 Q N 0.355 119.861 119.800 -0.489 0.000 2.002 373 Q HA -0.243 4.097 4.340 -0.000 0.000 0.204 373 Q C 2.316 178.173 176.000 -0.239 0.000 0.988 373 Q CA 2.234 57.854 55.803 -0.305 0.000 0.843 373 Q CB -0.465 28.127 28.738 -0.243 0.000 0.908 373 Q HN 0.677 nan 8.270 nan 0.000 0.420 374 K N 0.325 120.542 120.400 -0.307 0.000 2.000 374 K HA -0.190 4.130 4.320 -0.000 0.000 0.218 374 K C 2.204 178.690 176.600 -0.190 0.000 1.053 374 K CA 1.864 58.017 56.287 -0.224 0.000 0.946 374 K CB -0.471 31.865 32.500 -0.273 0.000 0.723 374 K HN 0.157 nan 8.250 nan 0.000 0.446 375 I N 1.255 121.654 120.570 -0.286 0.000 2.236 375 I HA -0.326 3.844 4.170 -0.000 0.000 0.249 375 I C 2.246 178.348 176.117 -0.025 0.000 1.102 375 I CA 1.749 62.919 61.300 -0.216 0.000 1.365 375 I CB -0.428 37.396 38.000 -0.293 0.000 1.051 375 I HN 0.404 nan 8.210 nan 0.000 0.420 376 T N -0.419 114.153 114.554 0.031 0.000 2.674 376 T HA -0.186 4.164 4.350 -0.000 0.000 0.265 376 T C 1.934 176.638 174.700 0.006 0.000 1.039 376 T CA 2.054 64.194 62.100 0.067 0.000 1.150 376 T CB -0.479 68.417 68.868 0.047 0.000 0.864 376 T HN 0.345 nan 8.240 nan 0.000 0.427 377 T N 1.655 116.193 114.554 -0.026 0.000 2.624 377 T HA -0.203 4.147 4.350 -0.000 0.000 0.268 377 T C 1.968 176.644 174.700 -0.040 0.000 1.041 377 T CA 1.891 63.975 62.100 -0.027 0.000 1.159 377 T CB -0.430 68.419 68.868 -0.032 0.000 0.863 377 T HN 0.653 nan 8.240 nan 0.000 0.434 378 E N 0.499 120.669 120.200 -0.050 0.000 2.160 378 E HA -0.149 4.201 4.350 -0.000 0.000 0.195 378 E C 2.048 178.561 176.600 -0.145 0.000 0.991 378 E CA 1.518 57.865 56.400 -0.089 0.000 0.810 378 E CB -0.108 29.560 29.700 -0.052 0.000 0.742 378 E HN 0.421 nan 8.360 nan 0.000 0.466 379 S N 0.245 115.931 115.700 -0.023 0.000 2.436 379 S HA 0.021 4.491 4.470 -0.000 0.000 0.228 379 S C 1.883 176.500 174.600 0.029 0.000 1.014 379 S CA 0.622 58.885 58.200 0.105 0.000 0.950 379 S CB -0.065 63.278 63.200 0.239 0.000 0.784 379 S HN 0.300 nan 8.310 nan 0.000 0.504 380 I N 1.107 121.671 120.570 -0.010 0.000 2.353 380 I HA -0.095 4.075 4.170 -0.000 0.000 0.248 380 I C 2.043 178.123 176.117 -0.060 0.000 1.119 380 I CA 0.784 62.078 61.300 -0.011 0.000 1.417 380 I CB -0.268 37.732 38.000 -0.000 0.000 1.078 380 I HN 0.153 nan 8.210 nan 0.000 0.421 381 V N 1.064 120.913 119.914 -0.109 0.000 2.323 381 V HA -0.207 3.912 4.120 -0.000 0.000 0.244 381 V C 2.202 178.152 176.094 -0.240 0.000 1.041 381 V CA 1.658 63.877 62.300 -0.136 0.000 1.025 381 V CB -0.214 31.535 31.823 -0.124 0.000 0.656 381 V HN 0.292 nan 8.190 nan 0.000 0.451 382 I N -1.480 118.829 120.570 -0.435 0.000 2.235 382 I HA -0.142 4.028 4.170 -0.000 0.000 0.241 382 I C 2.048 177.714 176.117 -0.751 0.000 1.085 382 I CA 1.494 62.343 61.300 -0.751 0.000 1.378 382 I CB -0.271 36.901 38.000 -1.380 0.000 1.076 382 I HN 0.382 nan 8.210 nan 0.000 0.415 383 W N 0.598 121.719 121.300 -0.299 0.000 3.127 383 W HA 0.365 5.025 4.660 -0.000 0.000 0.344 383 W C 1.491 177.895 176.519 -0.192 0.000 1.151 383 W CA 0.590 57.676 57.345 -0.431 0.000 1.765 383 W CB -0.400 28.632 29.460 -0.713 0.000 1.085 383 W HN 0.390 nan 8.180 nan 0.000 0.596 384 G N 2.244 111.069 108.800 0.042 0.000 2.168 384 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.263 384 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.263 384 G C 0.250 175.194 174.900 0.073 0.000 0.977 384 G CA 1.107 46.241 45.100 0.057 0.000 0.659 384 G HN 0.374 nan 8.290 nan 0.000 0.533 385 K N -1.052 119.401 120.400 0.087 0.000 2.556 385 K HA 0.661 4.981 4.320 -0.000 0.000 0.274 385 K C -0.356 176.266 176.600 0.037 0.000 0.966 385 K CA -0.332 55.991 56.287 0.059 0.000 0.865 385 K CB 1.098 33.633 32.500 0.059 0.000 1.444 385 K HN 0.515 nan 8.250 nan 0.000 0.433 386 T N -0.017 114.542 114.554 0.007 0.000 2.856 386 T HA 0.406 4.756 4.350 -0.000 0.000 0.292 386 T C -1.684 172.936 174.700 -0.133 0.000 0.980 386 T CA -1.235 60.847 62.100 -0.030 0.000 1.091 386 T CB 0.732 69.609 68.868 0.014 0.000 0.936 386 T HN 0.523 nan 8.240 nan 0.000 0.503 387 P HA 0.303 nan 4.420 nan 0.000 0.274 387 P C -0.809 176.177 177.300 -0.523 0.000 1.256 387 P CA -0.732 62.093 63.100 -0.459 0.000 0.795 387 P CB 0.825 32.145 31.700 -0.634 0.000 1.038 388 K N 0.802 120.945 120.400 -0.428 0.000 2.211 388 K HA 0.381 4.701 4.320 -0.000 0.000 0.275 388 K C -0.248 176.141 176.600 -0.352 0.000 1.024 388 K CA -0.343 55.787 56.287 -0.263 0.000 0.887 388 K CB 0.429 32.841 32.500 -0.147 0.000 1.084 388 K HN 0.324 nan 8.250 nan 0.000 0.463 389 F N 1.703 121.601 119.950 -0.086 0.000 2.370 389 F HA 0.304 4.831 4.527 -0.000 0.000 0.324 389 F C 0.690 176.495 175.800 0.008 0.000 1.116 389 F CA -0.364 57.586 58.000 -0.082 0.000 1.123 389 F CB 0.981 39.895 39.000 -0.144 0.000 1.238 389 F HN 0.140 nan 8.300 nan 0.000 0.536 390 K N 3.600 124.117 120.400 0.195 0.000 2.616 390 K HA 0.466 4.786 4.320 -0.000 0.000 0.241 390 K C -1.437 175.246 176.600 0.138 0.000 0.961 390 K CA -0.334 56.050 56.287 0.162 0.000 0.942 390 K CB 1.257 33.813 32.500 0.093 0.000 1.153 390 K HN 0.467 nan 8.250 nan 0.000 0.452 391 L N 3.430 124.751 121.223 0.163 0.000 2.334 391 L HA 0.533 4.873 4.340 -0.000 0.000 0.272 391 L C -1.863 175.046 176.870 0.065 0.000 1.020 391 L CA -2.158 52.698 54.840 0.026 0.000 0.812 391 L CB 1.427 43.320 42.059 -0.276 0.000 1.264 391 L HN 0.368 nan 8.230 nan 0.000 0.439 392 P HA 0.235 nan 4.420 nan 0.000 0.220 392 P C -0.513 176.960 177.300 0.287 0.000 1.793 392 P CA 0.314 63.459 63.100 0.075 0.000 0.917 392 P CB 0.405 32.158 31.700 0.089 0.000 1.755 393 I N -0.343 120.472 120.570 0.408 0.000 2.608 393 I HA 0.281 4.451 4.170 -0.000 0.000 0.295 393 I C -0.417 176.041 176.117 0.569 0.000 1.049 393 I CA -1.058 60.468 61.300 0.378 0.000 1.063 393 I CB 2.671 40.716 38.000 0.075 0.000 1.248 393 I HN -0.194 nan 8.210 nan 0.000 0.424 394 Q N 5.697 125.636 119.800 0.232 0.000 2.314 394 Q HA 0.161 4.501 4.340 -0.000 0.000 0.258 394 Q C 0.458 176.633 176.000 0.293 0.000 0.954 394 Q CA -0.372 55.406 55.803 -0.042 0.000 0.890 394 Q CB 1.276 29.919 28.738 -0.158 0.000 1.210 394 Q HN 0.502 nan 8.270 nan 0.000 0.410 395 K N 2.237 122.785 120.400 0.247 0.000 2.360 395 K HA -0.173 4.147 4.320 -0.000 0.000 0.201 395 K C 1.177 177.942 176.600 0.275 0.000 1.046 395 K CA 1.200 57.697 56.287 0.350 0.000 0.940 395 K CB 0.382 32.898 32.500 0.027 0.000 0.748 395 K HN 0.511 nan 8.250 nan 0.000 0.465 396 E N -0.490 119.782 120.200 0.119 0.000 2.014 396 E HA -0.057 4.293 4.350 -0.000 0.000 0.190 396 E C 2.012 178.658 176.600 0.078 0.000 0.980 396 E CA 1.512 57.940 56.400 0.046 0.000 0.807 396 E CB -0.608 29.077 29.700 -0.025 0.000 0.770 396 E HN 0.116 nan 8.360 nan 0.000 0.451 397 T N 1.112 115.716 114.554 0.084 0.000 2.721 397 T HA -0.237 4.113 4.350 -0.000 0.000 0.268 397 T C 1.305 176.112 174.700 0.178 0.000 1.038 397 T CA 1.453 63.602 62.100 0.082 0.000 1.145 397 T CB -0.384 68.516 68.868 0.053 0.000 0.858 397 T HN 0.370 nan 8.240 nan 0.000 0.459 398 W N 1.800 123.202 121.300 0.170 0.000 2.408 398 W HA -0.058 4.602 4.660 -0.000 0.000 0.311 398 W C 2.007 178.727 176.519 0.335 0.000 1.190 398 W CA 1.076 58.591 57.345 0.283 0.000 1.321 398 W CB -0.235 29.465 29.460 0.399 0.000 1.143 398 W HN 0.329 nan 8.180 nan 0.000 0.501 399 E N -0.441 119.777 120.200 0.029 0.000 2.110 399 E HA -0.236 4.114 4.350 -0.000 0.000 0.193 399 E C 2.140 178.424 176.600 -0.527 0.000 0.988 399 E CA 1.918 58.045 56.400 -0.455 0.000 0.804 399 E CB -0.354 29.143 29.700 -0.339 0.000 0.745 399 E HN 0.120 nan 8.360 nan 0.000 0.458 400 T N 0.019 114.422 114.554 -0.251 0.000 2.867 400 T HA -0.157 4.193 4.350 -0.000 0.000 0.268 400 T C 1.330 175.906 174.700 -0.207 0.000 1.057 400 T CA 1.001 62.976 62.100 -0.209 0.000 1.136 400 T CB -0.176 68.634 68.868 -0.096 0.000 0.874 400 T HN 0.449 nan 8.240 nan 0.000 0.466 401 W N 0.273 121.370 121.300 -0.339 0.000 2.453 401 W HA -0.002 4.658 4.660 -0.000 0.000 0.289 401 W C 1.869 178.179 176.519 -0.349 0.000 1.215 401 W CA 0.872 58.011 57.345 -0.342 0.000 1.297 401 W CB -0.652 28.587 29.460 -0.368 0.000 1.113 401 W HN 0.537 nan 8.180 nan 0.000 0.551 402 W N 2.941 123.756 121.300 -0.809 0.000 2.418 402 W HA -0.090 4.570 4.660 -0.000 0.000 0.292 402 W C 2.326 178.568 176.519 -0.463 0.000 1.213 402 W CA 3.250 60.136 57.345 -0.765 0.000 1.283 402 W CB -1.263 27.747 29.460 -0.751 0.000 1.119 402 W HN -0.130 nan 8.180 nan 0.000 0.542 403 T N -1.933 112.249 114.554 -0.620 0.000 3.072 403 T HA -0.033 4.317 4.350 -0.000 0.000 0.266 403 T C 1.454 176.007 174.700 -0.245 0.000 1.127 403 T CA 1.602 63.445 62.100 -0.429 0.000 1.107 403 T CB -0.200 68.306 68.868 -0.603 0.000 0.910 403 T HN 0.395 nan 8.240 nan 0.000 0.513 404 E N -1.002 119.019 120.200 -0.299 0.000 2.372 404 E HA 0.234 4.584 4.350 -0.000 0.000 0.201 404 E C -0.194 176.273 176.600 -0.221 0.000 0.938 404 E CA -0.514 55.751 56.400 -0.226 0.000 0.944 404 E CB 0.216 29.788 29.700 -0.214 0.000 0.937 404 E HN 0.508 nan 8.360 nan 0.000 0.495 405 Y N 1.304 121.245 120.300 -0.598 0.000 2.683 405 Y HA -0.186 4.364 4.550 -0.000 0.000 0.340 405 Y C 1.032 176.710 175.900 -0.369 0.000 1.245 405 Y CA -0.202 57.491 58.100 -0.680 0.000 1.485 405 Y CB 0.361 38.154 38.460 -1.111 0.000 1.328 405 Y HN 0.176 nan 8.280 nan 0.000 0.603 406 W N 3.073 123.947 121.300 -0.710 0.000 2.476 406 W HA 0.028 4.688 4.660 -0.000 0.000 0.281 406 W C -0.131 176.103 176.519 -0.475 0.000 1.230 406 W CA 0.248 57.291 57.345 -0.503 0.000 1.287 406 W CB -0.412 28.789 29.460 -0.431 0.000 1.108 406 W HN 0.503 nan 8.180 nan 0.000 0.567 407 Q N 1.621 120.352 119.800 -1.781 0.000 2.261 407 Q HA 0.460 4.800 4.340 -0.000 0.000 0.252 407 Q C -0.103 175.618 176.000 -0.466 0.000 0.915 407 Q CA -0.336 54.698 55.803 -1.282 0.000 0.915 407 Q CB 1.497 29.069 28.738 -1.944 0.000 1.204 407 Q HN 0.078 nan 8.270 nan 0.000 0.421 408 A N 3.105 125.795 122.820 -0.217 0.000 2.488 408 A HA 0.386 4.706 4.320 -0.000 0.000 0.249 408 A C -0.574 176.985 177.584 -0.042 0.000 1.083 408 A CA 0.156 52.138 52.037 -0.092 0.000 0.768 408 A CB 0.394 19.363 19.000 -0.052 0.000 1.017 408 A HN 0.709 nan 8.150 nan 0.000 0.496 409 T N 2.695 117.244 114.554 -0.008 0.000 2.971 409 T HA 0.477 4.827 4.350 -0.000 0.000 0.304 409 T C -0.602 174.172 174.700 0.123 0.000 1.038 409 T CA -0.377 61.771 62.100 0.080 0.000 1.007 409 T CB 1.039 70.006 68.868 0.165 0.000 1.055 409 T HN 0.829 nan 8.240 nan 0.000 0.451 410 W N 3.799 125.039 121.300 -0.100 0.000 3.207 410 W HA 0.839 5.499 4.660 -0.000 0.000 0.340 410 W C -1.582 174.862 176.519 -0.124 0.000 1.336 410 W CA -1.327 55.929 57.345 -0.148 0.000 1.097 410 W CB 1.135 30.520 29.460 -0.124 0.000 1.671 410 W HN 0.671 nan 8.180 nan 0.000 0.636 411 I N 3.560 123.507 120.570 -1.039 0.000 2.776 411 I HA 0.058 4.228 4.170 -0.000 0.000 0.281 411 I C -2.571 172.680 176.117 -1.444 0.000 1.620 411 I CA -1.024 59.621 61.300 -1.091 0.000 1.172 411 I CB 1.278 38.724 38.000 -0.924 0.000 1.593 411 I HN 0.118 nan 8.210 nan 0.000 0.418 412 P HA -0.064 nan 4.420 nan 0.000 0.272 412 P C -0.730 176.425 177.300 -0.240 0.000 1.239 412 P CA 0.102 62.894 63.100 -0.515 0.000 0.807 412 P CB 0.392 32.044 31.700 -0.080 0.000 0.951 413 E N 1.223 121.382 120.200 -0.067 0.000 2.694 413 E HA -0.035 4.315 4.350 -0.000 0.000 0.250 413 E C -0.742 175.947 176.600 0.148 0.000 0.963 413 E CA 0.156 56.562 56.400 0.010 0.000 0.949 413 E CB 0.054 29.761 29.700 0.012 0.000 0.911 413 E HN 0.336 nan 8.360 nan 0.000 0.500 414 W N 3.331 124.574 121.300 -0.096 0.000 3.107 414 W HA 0.571 5.231 4.660 -0.000 0.000 0.331 414 W C -1.224 175.283 176.519 -0.019 0.000 1.204 414 W CA -0.912 56.398 57.345 -0.058 0.000 1.184 414 W CB 0.612 29.972 29.460 -0.167 0.000 1.421 414 W HN 0.412 nan 8.180 nan 0.000 0.544 415 E N 1.020 121.351 120.200 0.219 0.000 2.339 415 E HA 0.503 4.853 4.350 -0.000 0.000 0.262 415 E C -1.504 175.320 176.600 0.373 0.000 0.934 415 E CA -1.030 55.406 56.400 0.060 0.000 0.802 415 E CB 3.013 32.745 29.700 0.054 0.000 1.275 415 E HN 0.261 nan 8.360 nan 0.000 0.427 416 F N 1.346 121.371 119.950 0.126 0.000 2.370 416 F HA 0.571 5.098 4.527 -0.000 0.000 0.319 416 F C -0.733 175.165 175.800 0.163 0.000 1.129 416 F CA -0.636 57.508 58.000 0.239 0.000 1.109 416 F CB 1.235 40.333 39.000 0.164 0.000 1.262 416 F HN 0.110 nan 8.300 nan 0.000 0.534 417 V N 5.318 124.660 119.914 -0.953 0.000 2.781 417 V HA 0.258 4.378 4.120 -0.000 0.000 0.289 417 V C -1.669 173.816 176.094 -1.016 0.000 1.275 417 V CA -0.847 61.053 62.300 -0.668 0.000 0.936 417 V CB 1.308 33.009 31.823 -0.203 0.000 1.074 417 V HN 0.878 nan 8.190 nan 0.000 0.444 418 N N 4.611 122.840 118.700 -0.786 0.000 2.421 418 N HA 0.295 5.035 4.740 -0.000 0.000 0.260 418 N C -0.098 175.318 175.510 -0.156 0.000 1.173 418 N CA 0.685 53.500 53.050 -0.391 0.000 0.960 418 N CB 0.897 39.392 38.487 0.012 0.000 1.273 418 N HN 0.979 nan 8.380 nan 0.000 0.497 419 T N 1.139 115.619 114.554 -0.123 0.000 3.209 419 T HA 0.388 4.738 4.350 -0.000 0.000 0.366 419 T C -2.721 171.977 174.700 -0.004 0.000 1.293 419 T CA -1.729 60.343 62.100 -0.045 0.000 1.417 419 T CB 1.196 70.040 68.868 -0.039 0.000 1.013 419 T HN 0.128 nan 8.240 nan 0.000 0.572 420 P HA 0.225 nan 4.420 nan 0.000 0.266 420 P C -2.352 174.957 177.300 0.014 0.000 1.193 420 P CA -0.687 62.437 63.100 0.040 0.000 0.770 420 P CB -0.325 31.402 31.700 0.045 0.000 0.836 421 P HA 0.148 nan 4.420 nan 0.000 0.271 421 P C -0.487 176.862 177.300 0.082 0.000 1.233 421 P CA -0.131 62.997 63.100 0.047 0.000 0.764 421 P CB 0.259 31.970 31.700 0.017 0.000 0.825 422 L N 3.779 125.076 121.223 0.124 0.000 2.464 422 L HA 0.139 4.479 4.340 -0.000 0.000 0.264 422 L C 0.110 177.072 176.870 0.153 0.000 1.199 422 L CA 0.025 54.963 54.840 0.164 0.000 0.818 422 L CB 0.616 42.791 42.059 0.193 0.000 1.102 422 L HN 0.147 nan 8.230 nan 0.000 0.473 423 V N 2.314 122.325 119.914 0.162 0.000 2.539 423 V HA 0.618 4.738 4.120 -0.000 0.000 0.292 423 V C -0.128 175.957 176.094 -0.015 0.000 1.045 423 V CA -0.674 61.705 62.300 0.132 0.000 0.945 423 V CB 1.284 33.214 31.823 0.179 0.000 0.993 423 V HN 0.869 nan 8.190 nan 0.000 0.464 424 K N 3.526 123.826 120.400 -0.167 0.000 2.597 424 K HA 0.568 4.888 4.320 -0.000 0.000 0.282 424 K C -1.891 174.335 176.600 -0.622 0.000 0.975 424 K CA -1.034 55.006 56.287 -0.412 0.000 0.867 424 K CB 1.614 33.751 32.500 -0.604 0.000 1.465 424 K HN 0.400 nan 8.250 nan 0.000 0.417 425 L N 1.953 122.878 121.223 -0.496 0.000 2.313 425 L HA 0.274 4.614 4.340 -0.000 0.000 0.282 425 L C -0.129 176.434 176.870 -0.511 0.000 1.092 425 L CA -0.588 54.004 54.840 -0.414 0.000 0.831 425 L CB 0.206 42.126 42.059 -0.231 0.000 1.159 425 L HN 0.665 nan 8.230 nan 0.000 0.442 426 W N 4.215 125.464 121.300 -0.085 0.000 3.434 426 W HA 0.135 4.795 4.660 -0.000 0.000 0.297 426 W C -0.298 176.349 176.519 0.214 0.000 1.295 426 W CA -0.260 57.120 57.345 0.057 0.000 1.731 426 W CB -0.374 29.158 29.460 0.120 0.000 1.070 426 W HN 0.503 nan 8.180 nan 0.000 0.726 427 Y N -2.296 118.075 120.300 0.118 0.000 2.739 427 Y HA 0.205 4.755 4.550 -0.000 0.000 0.377 427 Y C -1.198 174.749 175.900 0.079 0.000 1.209 427 Y CA -2.041 56.119 58.100 0.100 0.000 1.448 427 Y CB -0.270 38.264 38.460 0.123 0.000 1.428 427 Y HN -0.208 nan 8.280 nan 0.000 0.530 428 Q N 3.343 123.293 119.800 0.250 0.000 2.306 428 Q HA 0.698 5.037 4.340 -0.000 0.000 0.269 428 Q C -1.166 174.982 176.000 0.247 0.000 1.053 428 Q CA -1.030 54.869 55.803 0.159 0.000 0.879 428 Q CB 3.006 31.797 28.738 0.088 0.000 1.344 428 Q HN 0.835 nan 8.270 nan 0.000 0.464 429 L N 1.641 122.973 121.223 0.181 0.000 2.319 429 L HA 0.300 4.640 4.340 -0.000 0.000 0.281 429 L C 0.205 177.167 176.870 0.153 0.000 1.005 429 L CA -0.836 54.106 54.840 0.171 0.000 0.828 429 L CB 1.525 43.672 42.059 0.147 0.000 1.227 429 L HN 0.383 nan 8.230 nan 0.000 0.415 430 E N 2.211 122.519 120.200 0.181 0.000 2.467 430 E HA -0.063 4.287 4.350 -0.000 0.000 0.264 430 E C 0.248 177.014 176.600 0.276 0.000 1.020 430 E CA 0.204 56.718 56.400 0.191 0.000 0.945 430 E CB 1.278 31.086 29.700 0.180 0.000 0.942 430 E HN 0.402 nan 8.360 nan 0.000 0.449 431 K N 1.160 121.659 120.400 0.165 0.000 2.099 431 K HA 0.015 4.335 4.320 -0.000 0.000 0.203 431 K C 0.303 176.966 176.600 0.105 0.000 1.047 431 K CA 0.793 57.182 56.287 0.170 0.000 0.963 431 K CB 0.202 32.746 32.500 0.073 0.000 0.759 431 K HN 0.232 nan 8.250 nan 0.000 0.451 432 E N 0.425 120.576 120.200 -0.082 0.000 2.166 432 E HA 0.279 4.629 4.350 -0.000 0.000 0.275 432 E C -2.574 173.717 176.600 -0.516 0.000 0.941 432 E CA -2.686 53.546 56.400 -0.279 0.000 0.784 432 E CB 1.036 30.650 29.700 -0.142 0.000 1.115 432 E HN -0.169 nan 8.360 nan 0.000 0.399 433 P HA -0.104 nan 4.420 nan 0.000 0.274 433 P C -0.519 176.616 177.300 -0.275 0.000 1.209 433 P CA 0.685 63.326 63.100 -0.766 0.000 0.790 433 P CB 0.345 31.749 31.700 -0.494 0.000 0.834 434 I N 0.696 121.197 120.570 -0.115 0.000 2.313 434 I HA 0.101 4.271 4.170 -0.000 0.000 0.286 434 I C 0.033 176.140 176.117 -0.015 0.000 1.091 434 I CA -0.821 60.461 61.300 -0.029 0.000 1.216 434 I CB 0.359 38.378 38.000 0.032 0.000 1.434 434 I HN 0.006 nan 8.210 nan 0.000 0.487 435 V N 5.446 125.343 119.914 -0.030 0.000 2.720 435 V HA 0.056 4.176 4.120 -0.000 0.000 0.307 435 V C 1.280 177.376 176.094 0.004 0.000 1.071 435 V CA 0.787 63.078 62.300 -0.014 0.000 1.199 435 V CB 0.372 32.183 31.823 -0.019 0.000 0.900 435 V HN 1.077 nan 8.190 nan 0.000 0.494 436 G N 3.641 112.448 108.800 0.012 0.000 2.438 436 G HA2 0.272 4.232 3.960 -0.000 0.000 0.272 436 G HA3 0.272 4.232 3.960 -0.000 0.000 0.272 436 G C -0.069 174.849 174.900 0.029 0.000 0.991 436 G CA 0.105 45.216 45.100 0.018 0.000 1.348 436 G HN 2.247 nan 8.290 nan 0.000 0.483 437 A N 1.191 124.036 122.820 0.042 0.000 2.540 437 A HA 0.660 4.980 4.320 -0.000 0.000 0.315 437 A C -0.097 177.540 177.584 0.088 0.000 1.037 437 A CA 0.339 52.414 52.037 0.064 0.000 0.940 437 A CB 0.304 19.341 19.000 0.061 0.000 1.262 437 A HN 1.122 nan 8.150 nan 0.000 0.377 438 E N 0.465 120.731 120.200 0.110 0.000 2.556 438 E HA 0.181 4.531 4.350 -0.000 0.000 0.273 438 E C -0.220 176.483 176.600 0.172 0.000 1.123 438 E CA 1.199 57.666 56.400 0.111 0.000 1.033 438 E CB 0.344 30.124 29.700 0.133 0.000 1.025 438 E HN 0.532 nan 8.360 nan 0.000 0.465 439 T N 3.475 118.111 114.554 0.136 0.000 3.068 439 T HA 0.266 4.616 4.350 -0.000 0.000 0.364 439 T C -1.096 173.746 174.700 0.236 0.000 1.161 439 T CA -0.493 61.726 62.100 0.197 0.000 1.155 439 T CB -0.124 68.865 68.868 0.202 0.000 1.060 439 T HN 0.199 nan 8.240 nan 0.000 0.513 440 F N 2.294 122.264 119.950 0.032 0.000 2.456 440 F HA 0.341 4.868 4.527 -0.000 0.000 0.358 440 F C 0.200 176.054 175.800 0.091 0.000 1.095 440 F CA -0.809 57.217 58.000 0.044 0.000 1.216 440 F CB 0.384 39.277 39.000 -0.178 0.000 1.125 440 F HN 0.460 nan 8.300 nan 0.000 0.549 441 Y N 3.172 123.578 120.300 0.177 0.000 2.717 441 Y HA 0.402 4.952 4.550 -0.000 0.000 0.329 441 Y C 0.059 176.078 175.900 0.198 0.000 1.017 441 Y CA -1.259 56.924 58.100 0.138 0.000 1.275 441 Y CB 0.526 39.035 38.460 0.082 0.000 1.109 441 Y HN 0.374 nan 8.280 nan 0.000 0.511 442 V N -0.226 119.855 119.914 0.277 0.000 2.834 442 V HA 0.633 4.753 4.120 -0.000 0.000 0.301 442 V C -0.216 175.996 176.094 0.196 0.000 1.066 442 V CA -0.290 62.172 62.300 0.270 0.000 1.052 442 V CB 1.975 33.917 31.823 0.198 0.000 1.021 442 V HN 0.612 nan 8.190 nan 0.000 0.480 443 D N 0.402 120.913 120.400 0.186 0.000 2.665 443 D HA 0.722 5.362 4.640 -0.000 0.000 0.287 443 D C -0.513 175.871 176.300 0.140 0.000 1.266 443 D CA 0.392 54.483 54.000 0.152 0.000 0.830 443 D CB 2.419 43.321 40.800 0.170 0.000 1.356 443 D HN 1.120 nan 8.370 nan 0.000 0.437 444 G N -0.899 107.983 108.800 0.136 0.000 2.608 444 G HA2 0.844 4.804 3.960 -0.000 0.000 0.291 444 G HA3 0.844 4.804 3.960 -0.000 0.000 0.291 444 G C -1.631 173.354 174.900 0.141 0.000 1.425 444 G CA 0.185 45.358 45.100 0.121 0.000 0.787 444 G HN 0.750 nan 8.290 nan 0.000 0.484 445 A N -1.610 121.280 122.820 0.117 0.000 2.526 445 A HA 1.147 5.467 4.320 -0.000 0.000 0.306 445 A C -0.779 176.853 177.584 0.081 0.000 1.088 445 A CA 0.214 52.326 52.037 0.125 0.000 0.600 445 A CB 0.665 19.762 19.000 0.162 0.000 1.423 445 A HN 2.799 nan 8.150 nan 0.000 0.582 446 A N -0.134 122.729 122.820 0.071 0.000 2.602 446 A HA 0.534 4.854 4.320 -0.000 0.000 0.301 446 A C -1.239 176.369 177.584 0.041 0.000 0.972 446 A CA -0.117 51.950 52.037 0.049 0.000 0.704 446 A CB 0.058 19.084 19.000 0.043 0.000 1.264 446 A HN 1.471 nan 8.150 nan 0.000 0.410 447 N N 0.677 119.395 118.700 0.031 0.000 2.530 447 N HA 0.226 4.966 4.740 -0.000 0.000 0.273 447 N C 0.977 176.500 175.510 0.022 0.000 1.173 447 N CA -0.117 52.948 53.050 0.025 0.000 0.967 447 N CB 0.986 39.484 38.487 0.019 0.000 1.109 447 N HN 0.699 nan 8.380 nan 0.000 0.453 448 R N 0.834 121.346 120.500 0.020 0.000 2.080 448 R HA -0.005 4.335 4.340 -0.000 0.000 0.222 448 R C 0.626 176.933 176.300 0.012 0.000 1.107 448 R CA 0.779 56.888 56.100 0.015 0.000 0.980 448 R CB 0.105 30.414 30.300 0.014 0.000 0.879 448 R HN 0.669 nan 8.270 nan 0.000 0.439 449 E N 0.411 120.617 120.200 0.012 0.000 2.301 449 E HA 0.037 4.387 4.350 -0.000 0.000 0.195 449 E C -0.014 176.592 176.600 0.010 0.000 1.171 449 E CA 0.423 56.829 56.400 0.010 0.000 1.142 449 E CB 0.762 30.468 29.700 0.009 0.000 1.218 449 E HN 0.110 nan 8.360 nan 0.000 0.448 450 T N -0.048 114.513 114.554 0.011 0.000 3.719 450 T HA 0.062 4.412 4.350 -0.000 0.000 0.285 450 T C -0.351 174.357 174.700 0.013 0.000 0.963 450 T CA -0.034 62.073 62.100 0.011 0.000 1.154 450 T CB 0.380 69.255 68.868 0.012 0.000 1.123 450 T HN 0.074 nan 8.240 nan 0.000 0.448 451 K N 0.728 121.137 120.400 0.015 0.000 3.304 451 K HA -0.009 4.311 4.320 -0.000 0.000 0.274 451 K C -1.268 175.344 176.600 0.020 0.000 1.258 451 K CA 0.216 56.513 56.287 0.017 0.000 0.811 451 K CB -2.104 30.405 32.500 0.014 0.000 1.453 451 K HN 0.413 nan 8.250 nan 0.000 0.527 452 L N -0.001 121.235 121.223 0.021 0.000 2.362 452 L HA 0.807 5.147 4.340 -0.000 0.000 0.275 452 L C 0.619 177.506 176.870 0.027 0.000 0.998 452 L CA -0.536 54.317 54.840 0.022 0.000 0.820 452 L CB 2.114 44.184 42.059 0.018 0.000 1.270 452 L HN 0.290 nan 8.230 nan 0.000 0.415 453 G N 2.313 111.132 108.800 0.032 0.000 2.704 453 G HA2 0.537 4.497 3.960 -0.000 0.000 0.293 453 G HA3 0.537 4.497 3.960 -0.000 0.000 0.293 453 G C -1.756 173.167 174.900 0.038 0.000 1.421 453 G CA -0.636 44.487 45.100 0.038 0.000 0.870 453 G HN 0.407 nan 8.290 nan 0.000 0.492 454 K N 0.355 120.778 120.400 0.040 0.000 2.307 454 K HA 0.681 5.000 4.320 -0.000 0.000 0.263 454 K C -0.259 176.371 176.600 0.049 0.000 0.973 454 K CA -0.502 55.805 56.287 0.034 0.000 0.846 454 K CB 2.351 34.863 32.500 0.019 0.000 1.100 454 K HN 0.618 nan 8.250 nan 0.000 0.438 455 A N 2.145 124.996 122.820 0.053 0.000 2.325 455 A HA 0.891 5.211 4.320 -0.000 0.000 0.333 455 A C -0.020 177.597 177.584 0.055 0.000 1.155 455 A CA -0.286 51.797 52.037 0.076 0.000 0.814 455 A CB 1.355 20.413 19.000 0.096 0.000 1.206 455 A HN 0.825 nan 8.150 nan 0.000 0.482 456 G N -0.582 108.267 108.800 0.081 0.000 2.570 456 G HA2 0.684 4.644 3.960 -0.000 0.000 0.310 456 G HA3 0.684 4.644 3.960 -0.000 0.000 0.310 456 G C -1.239 173.760 174.900 0.165 0.000 1.266 456 G CA 0.252 45.356 45.100 0.007 0.000 0.825 456 G HN 1.913 nan 8.290 nan 0.000 0.483 457 Y N -3.392 116.980 120.300 0.120 0.000 2.818 457 Y HA 0.795 5.345 4.550 -0.000 0.000 0.341 457 Y C -1.387 174.562 175.900 0.083 0.000 1.283 457 Y CA -1.604 56.591 58.100 0.158 0.000 1.075 457 Y CB 1.050 39.685 38.460 0.291 0.000 1.370 457 Y HN 0.884 nan 8.280 nan 0.000 0.448 458 V N 1.255 121.426 119.914 0.428 0.000 2.924 458 V HA 0.634 4.754 4.120 -0.000 0.000 0.300 458 V C -0.458 175.674 176.094 0.064 0.000 1.227 458 V CA -0.082 62.316 62.300 0.164 0.000 0.954 458 V CB 1.919 33.750 31.823 0.014 0.000 1.055 458 V HN 1.253 nan 8.190 nan 0.000 0.429 459 T N -0.364 114.136 114.554 -0.090 0.000 2.919 459 T HA 0.362 4.712 4.350 -0.000 0.000 0.282 459 T C 0.723 175.353 174.700 -0.116 0.000 1.020 459 T CA -0.319 61.673 62.100 -0.180 0.000 0.994 459 T CB 1.520 70.118 68.868 -0.449 0.000 1.180 459 T HN 0.720 nan 8.240 nan 0.000 0.566 460 N N -0.238 118.422 118.700 -0.067 0.000 2.434 460 N HA 0.020 4.760 4.740 -0.000 0.000 0.196 460 N C 0.305 175.784 175.510 -0.052 0.000 1.183 460 N CA -0.215 52.809 53.050 -0.044 0.000 0.849 460 N CB -0.061 38.438 38.487 0.020 0.000 0.992 460 N HN 0.647 nan 8.380 nan 0.000 0.460 461 K N -0.357 119.997 120.400 -0.077 0.000 2.676 461 K HA 0.233 4.553 4.320 -0.000 0.000 0.205 461 K C 0.528 177.092 176.600 -0.061 0.000 1.084 461 K CA 0.147 56.398 56.287 -0.061 0.000 1.057 461 K CB 0.783 33.246 32.500 -0.062 0.000 0.791 461 K HN 0.195 nan 8.250 nan 0.000 0.484 462 G N 2.083 110.843 108.800 -0.068 0.000 2.507 462 G HA2 -0.359 3.600 3.960 -0.000 0.000 0.240 462 G HA3 -0.359 3.600 3.960 -0.000 0.000 0.240 462 G C 0.265 175.134 174.900 -0.051 0.000 1.119 462 G CA -0.027 45.039 45.100 -0.057 0.000 0.664 462 G HN 0.349 nan 8.290 nan 0.000 0.516 463 R N 1.502 121.973 120.500 -0.048 0.000 2.587 463 R HA 0.204 4.544 4.340 -0.000 0.000 0.268 463 R C 0.398 176.705 176.300 0.011 0.000 0.978 463 R CA 1.669 57.765 56.100 -0.007 0.000 1.097 463 R CB -0.153 30.151 30.300 0.006 0.000 0.917 463 R HN 0.821 nan 8.270 nan 0.000 0.414 464 Q N 1.164 120.950 119.800 -0.023 0.000 2.536 464 Q HA 0.288 4.628 4.340 -0.000 0.000 0.231 464 Q C -1.544 174.311 176.000 -0.241 0.000 0.811 464 Q CA -0.759 54.966 55.803 -0.130 0.000 0.966 464 Q CB 1.543 30.229 28.738 -0.087 0.000 1.512 464 Q HN 0.439 nan 8.270 nan 0.000 0.456 465 K N 1.610 121.677 120.400 -0.555 0.000 2.208 465 K HA 0.722 5.042 4.320 -0.000 0.000 0.247 465 K C -1.198 175.160 176.600 -0.402 0.000 0.953 465 K CA -0.898 55.121 56.287 -0.448 0.000 0.837 465 K CB 2.009 34.221 32.500 -0.480 0.000 1.131 465 K HN 0.468 nan 8.250 nan 0.000 0.431 466 V N 4.570 124.362 119.914 -0.204 0.000 2.670 466 V HA 0.093 4.213 4.120 -0.000 0.000 0.258 466 V C -0.659 175.398 176.094 -0.062 0.000 0.906 466 V CA -0.953 61.275 62.300 -0.121 0.000 0.887 466 V CB 0.964 32.736 31.823 -0.084 0.000 1.059 466 V HN 0.637 nan 8.190 nan 0.000 0.484 467 V N 2.307 122.194 119.914 -0.044 0.000 2.572 467 V HA 0.563 4.682 4.120 -0.000 0.000 0.291 467 V C -1.799 174.301 176.094 0.010 0.000 1.039 467 V CA -1.361 60.934 62.300 -0.008 0.000 1.055 467 V CB 0.889 32.719 31.823 0.011 0.000 0.969 467 V HN 0.544 nan 8.190 nan 0.000 0.482 468 P HA 0.543 nan 4.420 nan 0.000 0.282 468 P C -1.076 176.241 177.300 0.028 0.000 1.249 468 P CA -0.483 62.628 63.100 0.018 0.000 0.806 468 P CB 1.777 33.484 31.700 0.012 0.000 0.984 469 L N 1.529 122.771 121.223 0.033 0.000 2.341 469 L HA 0.622 4.962 4.340 -0.000 0.000 0.267 469 L C 0.597 177.485 176.870 0.031 0.000 1.009 469 L CA -0.411 54.451 54.840 0.037 0.000 0.819 469 L CB 2.221 44.308 42.059 0.048 0.000 1.323 469 L HN 0.411 nan 8.230 nan 0.000 0.425 470 T N -1.690 112.882 114.554 0.030 0.000 2.809 470 T HA 0.439 4.789 4.350 -0.000 0.000 0.284 470 T C 0.007 174.721 174.700 0.024 0.000 0.992 470 T CA -0.603 61.512 62.100 0.024 0.000 0.957 470 T CB 1.071 69.951 68.868 0.021 0.000 0.942 470 T HN 0.603 nan 8.240 nan 0.000 0.439 471 N N 0.994 119.707 118.700 0.022 0.000 2.816 471 N HA -0.134 4.606 4.740 -0.000 0.000 0.247 471 N C -0.297 175.227 175.510 0.023 0.000 1.100 471 N CA 1.400 54.462 53.050 0.020 0.000 0.687 471 N CB -1.323 37.174 38.487 0.018 0.000 1.003 471 N HN 1.147 nan 8.380 nan 0.000 0.554 472 T N -2.596 111.974 114.554 0.027 0.000 2.856 472 T HA 0.618 4.968 4.350 -0.000 0.000 0.283 472 T C 0.784 175.500 174.700 0.027 0.000 1.008 472 T CA -0.401 61.718 62.100 0.032 0.000 0.997 472 T CB 2.302 71.197 68.868 0.044 0.000 0.992 472 T HN 0.177 nan 8.240 nan 0.000 0.454 473 T N 0.608 115.175 114.554 0.022 0.000 2.828 473 T HA 0.213 4.563 4.350 -0.000 0.000 0.290 473 T C 1.340 176.052 174.700 0.020 0.000 1.019 473 T CA -0.751 61.355 62.100 0.010 0.000 1.031 473 T CB 0.501 69.360 68.868 -0.014 0.000 1.001 473 T HN 0.673 nan 8.240 nan 0.000 0.531 474 N N 0.381 119.089 118.700 0.013 0.000 2.348 474 N HA -0.165 4.575 4.740 -0.000 0.000 0.185 474 N C 1.642 177.172 175.510 0.033 0.000 1.019 474 N CA 1.343 54.409 53.050 0.027 0.000 0.880 474 N CB -0.082 38.416 38.487 0.018 0.000 0.965 474 N HN 0.689 nan 8.380 nan 0.000 0.437 475 Q N -0.140 119.668 119.800 0.013 0.000 2.061 475 Q HA 0.016 4.356 4.340 -0.000 0.000 0.195 475 Q C 1.846 177.922 176.000 0.126 0.000 0.967 475 Q CA 0.567 56.400 55.803 0.051 0.000 0.829 475 Q CB 0.041 28.704 28.738 -0.124 0.000 0.900 475 Q HN 0.138 nan 8.270 nan 0.000 0.450 476 K N 0.534 120.989 120.400 0.093 0.000 2.113 476 K HA -0.150 4.170 4.320 -0.000 0.000 0.208 476 K C 2.185 178.850 176.600 0.108 0.000 1.047 476 K CA 1.956 58.309 56.287 0.110 0.000 0.928 476 K CB -0.915 31.630 32.500 0.076 0.000 0.716 476 K HN 0.432 nan 8.250 nan 0.000 0.446 477 T N -0.896 113.713 114.554 0.091 0.000 3.051 477 T HA -0.066 4.284 4.350 -0.000 0.000 0.269 477 T C 1.610 176.374 174.700 0.107 0.000 1.127 477 T CA 0.806 62.962 62.100 0.093 0.000 1.107 477 T CB 0.151 69.067 68.868 0.079 0.000 0.898 477 T HN 0.029 nan 8.240 nan 0.000 0.517 478 Q N -0.483 119.388 119.800 0.118 0.000 2.392 478 Q HA 0.380 4.720 4.340 -0.000 0.000 0.219 478 Q C 1.727 177.800 176.000 0.122 0.000 0.895 478 Q CA 0.259 56.135 55.803 0.121 0.000 0.929 478 Q CB 0.278 29.093 28.738 0.129 0.000 1.077 478 Q HN 0.476 nan 8.270 nan 0.000 0.532 479 L N 0.261 121.565 121.223 0.135 0.000 2.554 479 L HA 0.068 4.407 4.340 -0.000 0.000 0.225 479 L C 1.917 178.854 176.870 0.112 0.000 1.104 479 L CA 0.784 55.687 54.840 0.105 0.000 0.866 479 L CB 0.390 42.526 42.059 0.130 0.000 1.047 479 L HN 0.017 nan 8.230 nan 0.000 0.468 480 Q N -1.057 118.823 119.800 0.133 0.000 2.339 480 Q HA 0.150 4.490 4.340 -0.000 0.000 0.205 480 Q C 2.086 178.197 176.000 0.184 0.000 0.925 480 Q CA 1.057 56.962 55.803 0.168 0.000 0.898 480 Q CB 0.150 28.974 28.738 0.143 0.000 1.013 480 Q HN 0.431 nan 8.270 nan 0.000 0.504 481 A N 0.261 123.174 122.820 0.155 0.000 2.015 481 A HA -0.063 4.257 4.320 -0.000 0.000 0.219 481 A C 1.855 179.534 177.584 0.157 0.000 1.163 481 A CA 1.046 53.187 52.037 0.174 0.000 0.646 481 A CB -0.504 18.596 19.000 0.166 0.000 0.806 481 A HN 0.463 nan 8.150 nan 0.000 0.448 482 I N -2.072 118.568 120.570 0.117 0.000 2.761 482 I HA -0.133 4.037 4.170 -0.000 0.000 0.261 482 I C 2.297 178.455 176.117 0.069 0.000 1.198 482 I CA 0.827 62.161 61.300 0.057 0.000 1.482 482 I CB -0.229 37.790 38.000 0.031 0.000 1.100 482 I HN 0.481 nan 8.210 nan 0.000 0.445 483 Y N 1.748 122.037 120.300 -0.019 0.000 2.314 483 Y HA -0.085 4.465 4.550 -0.000 0.000 0.293 483 Y C 2.090 177.972 175.900 -0.031 0.000 1.129 483 Y CA 1.180 59.260 58.100 -0.033 0.000 1.201 483 Y CB -0.233 38.224 38.460 -0.005 0.000 0.999 483 Y HN 0.022 nan 8.280 nan 0.000 0.541 484 L N -0.433 120.749 121.223 -0.068 0.000 1.988 484 L HA -0.163 4.177 4.340 -0.000 0.000 0.207 484 L C 2.750 179.497 176.870 -0.205 0.000 1.071 484 L CA 1.261 56.053 54.840 -0.080 0.000 0.744 484 L CB -1.162 41.034 42.059 0.229 0.000 0.893 484 L HN 0.205 nan 8.230 nan 0.000 0.433 485 A N -0.091 122.577 122.820 -0.253 0.000 2.093 485 A HA -0.212 4.108 4.320 -0.000 0.000 0.222 485 A C 2.171 179.261 177.584 -0.823 0.000 1.162 485 A CA 1.746 53.323 52.037 -0.767 0.000 0.655 485 A CB -0.713 18.005 19.000 -0.470 0.000 0.805 485 A HN 0.448 nan 8.150 nan 0.000 0.461 486 L N -1.754 119.201 121.223 -0.446 0.000 2.354 486 L HA -0.077 4.263 4.340 -0.000 0.000 0.212 486 L C 2.740 179.420 176.870 -0.317 0.000 1.091 486 L CA 0.562 55.196 54.840 -0.344 0.000 0.828 486 L CB -0.398 41.561 42.059 -0.166 0.000 0.973 486 L HN 0.437 nan 8.230 nan 0.000 0.461 487 Q N 0.376 119.961 119.800 -0.357 0.000 1.922 487 Q HA -0.118 4.222 4.340 -0.000 0.000 0.201 487 Q C 0.497 176.389 176.000 -0.179 0.000 0.979 487 Q CA 1.093 56.730 55.803 -0.276 0.000 0.841 487 Q CB -0.136 28.404 28.738 -0.329 0.000 0.903 487 Q HN 0.433 nan 8.270 nan 0.000 0.431 488 D N 1.074 121.393 120.400 -0.134 0.000 2.644 488 D HA 0.048 4.688 4.640 -0.000 0.000 0.252 488 D C -0.150 176.136 176.300 -0.022 0.000 1.254 488 D CA 0.287 54.288 54.000 0.003 0.000 0.884 488 D CB 0.034 40.953 40.800 0.198 0.000 1.034 488 D HN -0.057 nan 8.370 nan 0.000 0.473 489 S N -0.906 114.677 115.700 -0.195 0.000 2.599 489 S HA 0.645 5.114 4.470 -0.000 0.000 0.294 489 S C 0.449 174.998 174.600 -0.084 0.000 1.094 489 S CA -0.694 57.365 58.200 -0.234 0.000 0.931 489 S CB 1.878 64.685 63.200 -0.655 0.000 1.093 489 S HN 0.189 nan 8.310 nan 0.000 0.488 490 G N 1.080 109.874 108.800 -0.009 0.000 2.516 490 G HA2 0.343 4.303 3.960 -0.000 0.000 0.276 490 G HA3 0.343 4.303 3.960 -0.000 0.000 0.276 490 G C 0.633 175.520 174.900 -0.021 0.000 1.390 490 G CA -0.604 44.499 45.100 0.005 0.000 1.050 490 G HN 0.724 nan 8.290 nan 0.000 0.519 491 L N -0.367 120.854 121.223 -0.003 0.000 2.610 491 L HA 0.172 4.512 4.340 -0.000 0.000 0.232 491 L C 0.398 177.269 176.870 0.002 0.000 1.149 491 L CA 0.942 55.780 54.840 -0.004 0.000 0.872 491 L CB -0.441 41.622 42.059 0.007 0.000 0.992 491 L HN 0.471 nan 8.230 nan 0.000 0.447 492 E N -0.116 120.090 120.200 0.010 0.000 2.274 492 E HA 0.473 4.823 4.350 -0.000 0.000 0.269 492 E C -1.387 175.233 176.600 0.033 0.000 0.891 492 E CA -0.174 56.240 56.400 0.024 0.000 0.784 492 E CB 3.278 32.997 29.700 0.033 0.000 1.225 492 E HN -0.168 nan 8.360 nan 0.000 0.412 493 V N 2.719 122.650 119.914 0.029 0.000 3.012 493 V HA 0.448 4.568 4.120 -0.000 0.000 0.307 493 V C -1.784 174.359 176.094 0.082 0.000 1.166 493 V CA -0.701 61.628 62.300 0.048 0.000 0.974 493 V CB 2.430 34.206 31.823 -0.078 0.000 1.040 493 V HN 0.621 nan 8.190 nan 0.000 0.428 494 N N 5.629 124.410 118.700 0.136 0.000 2.558 494 N HA 0.517 5.257 4.740 -0.000 0.000 0.242 494 N C -0.739 174.832 175.510 0.101 0.000 0.979 494 N CA -0.110 53.038 53.050 0.162 0.000 0.931 494 N CB 1.460 40.058 38.487 0.185 0.000 1.122 494 N HN 0.618 nan 8.380 nan 0.000 0.508 495 I N 1.465 122.045 120.570 0.017 0.000 2.396 495 I HA 0.289 4.459 4.170 -0.000 0.000 0.292 495 I C 0.032 176.087 176.117 -0.104 0.000 0.999 495 I CA -0.829 60.450 61.300 -0.034 0.000 1.310 495 I CB 1.441 39.395 38.000 -0.076 0.000 1.404 495 I HN -0.043 nan 8.210 nan 0.000 0.496 496 V N 5.045 124.863 119.914 -0.160 0.000 2.349 496 V HA 0.270 4.390 4.120 -0.000 0.000 0.284 496 V C 0.114 176.123 176.094 -0.142 0.000 1.014 496 V CA -0.377 61.779 62.300 -0.241 0.000 0.826 496 V CB 1.445 32.921 31.823 -0.578 0.000 1.009 496 V HN 0.841 nan 8.190 nan 0.000 0.431 497 T N 1.683 116.193 114.554 -0.073 0.000 2.937 497 T HA 0.489 4.839 4.350 -0.000 0.000 0.283 497 T C 0.008 174.669 174.700 -0.065 0.000 1.012 497 T CA -0.306 61.786 62.100 -0.012 0.000 0.997 497 T CB 1.627 70.525 68.868 0.050 0.000 1.136 497 T HN 0.811 nan 8.240 nan 0.000 0.551 498 D N 0.081 120.462 120.400 -0.033 0.000 2.636 498 D HA 0.156 4.796 4.640 -0.000 0.000 0.270 498 D C -0.201 176.226 176.300 0.211 0.000 1.430 498 D CA -0.290 53.599 54.000 -0.183 0.000 0.796 498 D CB -0.224 40.417 40.800 -0.264 0.000 1.117 498 D HN 0.254 nan 8.370 nan 0.000 0.480 499 S N 0.992 116.866 115.700 0.289 0.000 2.512 499 S HA 0.096 4.566 4.470 -0.000 0.000 0.291 499 S C 1.134 175.883 174.600 0.247 0.000 1.151 499 S CA -0.469 57.884 58.200 0.256 0.000 1.120 499 S CB 1.100 64.403 63.200 0.172 0.000 1.029 499 S HN 0.219 nan 8.310 nan 0.000 0.485 500 Q N 3.720 123.647 119.800 0.212 0.000 2.133 500 Q HA -0.245 4.095 4.340 -0.000 0.000 0.208 500 Q C 1.346 177.338 176.000 -0.014 0.000 0.991 500 Q CA 2.069 57.826 55.803 -0.076 0.000 0.867 500 Q CB -0.329 28.307 28.738 -0.169 0.000 0.911 500 Q HN 0.955 nan 8.270 nan 0.000 0.417 501 Y N 0.248 120.539 120.300 -0.014 0.000 2.165 501 Y HA -0.241 4.309 4.550 -0.000 0.000 0.286 501 Y C 2.009 177.904 175.900 -0.008 0.000 1.155 501 Y CA 1.798 59.892 58.100 -0.011 0.000 1.164 501 Y CB -0.677 37.789 38.460 0.010 0.000 0.978 501 Y HN 0.233 nan 8.280 nan 0.000 0.513 502 A N -0.191 122.475 122.820 -0.257 0.000 1.897 502 A HA -0.097 4.223 4.320 -0.000 0.000 0.215 502 A C 2.182 179.641 177.584 -0.207 0.000 1.181 502 A CA 1.368 53.229 52.037 -0.293 0.000 0.620 502 A CB -1.165 17.797 19.000 -0.064 0.000 0.821 502 A HN 0.528 nan 8.150 nan 0.000 0.443 503 L N 0.154 121.315 121.223 -0.104 0.000 2.131 503 L HA -0.004 4.336 4.340 -0.000 0.000 0.210 503 L C 2.258 179.060 176.870 -0.114 0.000 1.092 503 L CA 2.071 56.863 54.840 -0.080 0.000 0.759 503 L CB -0.744 41.287 42.059 -0.047 0.000 0.903 503 L HN 0.294 nan 8.230 nan 0.000 0.435 504 G N -0.139 108.565 108.800 -0.161 0.000 2.414 504 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.215 504 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.215 504 G C 1.574 176.410 174.900 -0.107 0.000 1.188 504 G CA 1.050 46.069 45.100 -0.136 0.000 0.783 504 G HN 0.448 nan 8.290 nan 0.000 0.537 505 I N 0.674 121.102 120.570 -0.237 0.000 2.163 505 I HA -0.175 3.995 4.170 -0.000 0.000 0.243 505 I C 2.698 178.748 176.117 -0.111 0.000 1.085 505 I CA 1.021 62.166 61.300 -0.257 0.000 1.347 505 I CB -0.271 37.389 38.000 -0.567 0.000 1.044 505 I HN 0.156 nan 8.210 nan 0.000 0.408 506 I N 0.082 120.597 120.570 -0.091 0.000 2.233 506 I HA -0.272 3.898 4.170 -0.000 0.000 0.243 506 I C 2.659 178.846 176.117 0.118 0.000 1.093 506 I CA 1.080 62.396 61.300 0.026 0.000 1.380 506 I CB -0.394 37.600 38.000 -0.009 0.000 1.067 506 I HN 0.237 nan 8.210 nan 0.000 0.413 507 Q N 1.624 121.465 119.800 0.069 0.000 2.217 507 Q HA -0.158 4.182 4.340 -0.000 0.000 0.209 507 Q C 1.469 177.583 176.000 0.189 0.000 0.988 507 Q CA 1.864 57.728 55.803 0.103 0.000 0.878 507 Q CB -0.234 28.533 28.738 0.049 0.000 0.909 507 Q HN 0.516 nan 8.270 nan 0.000 0.424 508 A N 0.122 123.085 122.820 0.238 0.000 2.840 508 A HA 0.126 4.446 4.320 -0.000 0.000 0.269 508 A C -0.361 177.415 177.584 0.321 0.000 1.439 508 A CA -0.130 52.137 52.037 0.383 0.000 1.083 508 A CB -0.649 18.646 19.000 0.492 0.000 1.019 508 A HN 0.461 nan 8.150 nan 0.000 0.607 509 Q N 0.244 120.174 119.800 0.217 0.000 2.325 509 Q HA -0.165 4.175 4.340 -0.000 0.000 0.346 509 Q C -2.012 173.997 176.000 0.015 0.000 1.253 509 Q CA 0.457 56.254 55.803 -0.010 0.000 1.050 509 Q CB -1.285 27.373 28.738 -0.133 0.000 1.291 509 Q HN 0.639 nan 8.270 nan 0.000 0.431 510 P HA -0.052 nan 4.420 nan 0.000 0.271 510 P C -0.351 177.073 177.300 0.207 0.000 1.216 510 P CA 0.396 63.596 63.100 0.167 0.000 0.771 510 P CB 0.906 32.720 31.700 0.190 0.000 0.864 511 D N 1.981 122.479 120.400 0.162 0.000 2.501 511 D HA 0.149 4.789 4.640 -0.000 0.000 0.224 511 D C 0.047 176.406 176.300 0.099 0.000 1.202 511 D CA -0.312 53.803 54.000 0.192 0.000 0.829 511 D CB 0.041 41.001 40.800 0.266 0.000 1.023 511 D HN 0.448 nan 8.370 nan 0.000 0.499 512 K N -2.532 117.929 120.400 0.103 0.000 2.622 512 K HA 0.578 4.898 4.320 -0.000 0.000 0.273 512 K C -1.543 175.121 176.600 0.107 0.000 0.957 512 K CA -0.857 55.469 56.287 0.066 0.000 0.861 512 K CB 1.476 34.000 32.500 0.041 0.000 1.405 512 K HN -0.067 nan 8.250 nan 0.000 0.406 513 S N 0.036 115.791 115.700 0.091 0.000 2.672 513 S HA 0.293 4.763 4.470 -0.000 0.000 0.271 513 S C -0.621 174.017 174.600 0.062 0.000 1.171 513 S CA -0.547 57.732 58.200 0.133 0.000 0.817 513 S CB 1.956 65.326 63.200 0.283 0.000 1.150 513 S HN 0.780 nan 8.310 nan 0.000 0.478 514 E N 0.439 120.661 120.200 0.038 0.000 2.452 514 E HA 0.210 4.560 4.350 -0.000 0.000 0.197 514 E C -0.210 176.413 176.600 0.037 0.000 1.022 514 E CA -0.025 56.380 56.400 0.008 0.000 0.890 514 E CB 0.702 30.380 29.700 -0.037 0.000 0.918 514 E HN 0.341 nan 8.360 nan 0.000 0.496 515 S N 0.572 116.328 115.700 0.095 0.000 2.475 515 S HA 0.064 4.534 4.470 -0.000 0.000 0.281 515 S C 0.774 175.399 174.600 0.043 0.000 1.198 515 S CA -0.441 57.818 58.200 0.098 0.000 1.063 515 S CB 1.247 64.562 63.200 0.192 0.000 0.972 515 S HN 0.040 nan 8.310 nan 0.000 0.486 516 E N 4.112 124.317 120.200 0.007 0.000 2.150 516 E HA -0.050 4.300 4.350 -0.000 0.000 0.193 516 E C 1.652 178.199 176.600 -0.088 0.000 0.985 516 E CA 1.130 57.510 56.400 -0.033 0.000 0.814 516 E CB -0.192 29.490 29.700 -0.031 0.000 0.752 516 E HN 0.780 nan 8.360 nan 0.000 0.466 517 L N -0.389 120.783 121.223 -0.085 0.000 1.976 517 L HA -0.178 4.162 4.340 -0.000 0.000 0.209 517 L C 2.142 178.901 176.870 -0.185 0.000 1.071 517 L CA 1.347 56.081 54.840 -0.176 0.000 0.746 517 L CB -0.385 41.622 42.059 -0.086 0.000 0.890 517 L HN 0.097 nan 8.230 nan 0.000 0.432 518 V N 0.459 120.329 119.914 -0.073 0.000 2.453 518 V HA -0.328 3.792 4.120 -0.000 0.000 0.252 518 V C 2.172 178.231 176.094 -0.058 0.000 1.068 518 V CA 1.893 64.158 62.300 -0.059 0.000 1.070 518 V CB -0.871 30.958 31.823 0.010 0.000 0.664 518 V HN 0.534 nan 8.190 nan 0.000 0.461 519 N N -0.402 118.264 118.700 -0.057 0.000 2.300 519 N HA -0.107 4.633 4.740 -0.000 0.000 0.179 519 N C 1.933 177.381 175.510 -0.105 0.000 1.016 519 N CA 0.998 54.016 53.050 -0.053 0.000 0.876 519 N CB -0.064 38.398 38.487 -0.042 0.000 0.979 519 N HN 0.630 nan 8.380 nan 0.000 0.432 520 Q N 0.859 120.537 119.800 -0.203 0.000 1.990 520 Q HA 0.029 4.369 4.340 -0.000 0.000 0.200 520 Q C 2.074 177.951 176.000 -0.205 0.000 0.980 520 Q CA 0.879 56.506 55.803 -0.294 0.000 0.832 520 Q CB -0.157 28.141 28.738 -0.735 0.000 0.897 520 Q HN 0.352 nan 8.270 nan 0.000 0.427 521 I N 0.786 121.208 120.570 -0.247 0.000 2.761 521 I HA -0.281 3.889 4.170 -0.000 0.000 0.266 521 I C 1.935 177.997 176.117 -0.092 0.000 1.239 521 I CA 0.998 62.252 61.300 -0.077 0.000 1.451 521 I CB -0.363 37.589 38.000 -0.080 0.000 1.096 521 I HN 0.245 nan 8.210 nan 0.000 0.465 522 I N 0.337 120.852 120.570 -0.090 0.000 2.429 522 I HA -0.148 4.022 4.170 -0.000 0.000 0.247 522 I C 2.412 178.477 176.117 -0.087 0.000 1.099 522 I CA 0.712 61.958 61.300 -0.090 0.000 1.422 522 I CB -0.275 37.730 38.000 0.008 0.000 1.112 522 I HN 0.185 nan 8.210 nan 0.000 0.430 523 E N 0.975 121.146 120.200 -0.048 0.000 2.065 523 E HA -0.301 4.049 4.350 -0.000 0.000 0.201 523 E C 2.051 178.634 176.600 -0.030 0.000 1.016 523 E CA 1.193 57.575 56.400 -0.029 0.000 0.818 523 E CB -0.384 29.310 29.700 -0.011 0.000 0.749 523 E HN 0.464 nan 8.360 nan 0.000 0.453 524 Q N 0.939 120.732 119.800 -0.013 0.000 1.967 524 Q HA -0.199 4.141 4.340 -0.000 0.000 0.210 524 Q C 2.600 178.541 176.000 -0.098 0.000 1.005 524 Q CA 1.507 57.294 55.803 -0.027 0.000 0.862 524 Q CB -0.830 27.912 28.738 0.008 0.000 0.939 524 Q HN 0.388 nan 8.270 nan 0.000 0.417 525 L N 0.302 121.405 121.223 -0.200 0.000 2.103 525 L HA -0.231 4.109 4.340 -0.000 0.000 0.215 525 L C 2.400 179.124 176.870 -0.243 0.000 1.080 525 L CA 1.037 55.657 54.840 -0.366 0.000 0.764 525 L CB -0.523 41.028 42.059 -0.847 0.000 0.890 525 L HN 0.230 nan 8.230 nan 0.000 0.435 526 I N -0.858 119.644 120.570 -0.113 0.000 2.928 526 I HA -0.187 3.983 4.170 -0.000 0.000 0.266 526 I C 2.125 178.282 176.117 0.067 0.000 1.234 526 I CA 0.984 62.331 61.300 0.079 0.000 1.483 526 I CB -0.149 37.933 38.000 0.136 0.000 1.097 526 I HN 0.229 nan 8.210 nan 0.000 0.455 527 K N 0.196 120.602 120.400 0.011 0.000 2.308 527 K HA 0.081 4.401 4.320 -0.000 0.000 0.197 527 K C 0.749 177.353 176.600 0.007 0.000 1.049 527 K CA 0.071 56.367 56.287 0.015 0.000 0.991 527 K CB 0.323 32.824 32.500 0.002 0.000 0.836 527 K HN -0.001 nan 8.250 nan 0.000 0.500 528 K N 1.238 121.629 120.400 -0.016 0.000 2.156 528 K HA -0.009 4.311 4.320 -0.000 0.000 0.242 528 K C 0.566 177.176 176.600 0.016 0.000 1.033 528 K CA 0.551 56.829 56.287 -0.015 0.000 0.878 528 K CB 0.633 33.107 32.500 -0.043 0.000 1.057 528 K HN 0.062 nan 8.250 nan 0.000 0.505 529 E N -0.044 120.168 120.200 0.020 0.000 2.601 529 E HA 0.076 4.426 4.350 -0.000 0.000 0.219 529 E C -0.794 175.832 176.600 0.042 0.000 0.964 529 E CA 0.104 56.526 56.400 0.036 0.000 1.050 529 E CB 0.588 30.306 29.700 0.030 0.000 1.068 529 E HN 0.313 nan 8.360 nan 0.000 0.496 530 K N 0.585 121.009 120.400 0.039 0.000 2.535 530 K HA 0.197 4.517 4.320 -0.000 0.000 0.310 530 K C -2.007 174.627 176.600 0.056 0.000 1.178 530 K CA -0.274 56.045 56.287 0.054 0.000 1.052 530 K CB 1.459 33.987 32.500 0.046 0.000 1.364 530 K HN -0.118 nan 8.250 nan 0.000 0.475 531 V N 3.775 123.734 119.914 0.075 0.000 2.680 531 V HA 0.515 4.635 4.120 -0.000 0.000 0.309 531 V C -1.227 174.953 176.094 0.144 0.000 1.052 531 V CA -0.877 61.465 62.300 0.070 0.000 0.908 531 V CB 1.745 33.573 31.823 0.009 0.000 1.001 531 V HN 0.657 nan 8.190 nan 0.000 0.431 532 Y N 4.368 124.672 120.300 0.007 0.000 2.373 532 Y HA 0.712 5.262 4.550 -0.000 0.000 0.336 532 Y C -1.207 174.698 175.900 0.008 0.000 0.979 532 Y CA -0.898 57.211 58.100 0.015 0.000 1.080 532 Y CB 1.634 40.102 38.460 0.013 0.000 1.190 532 Y HN 0.578 nan 8.280 nan 0.000 0.446 533 L N 5.985 126.748 121.223 -0.766 0.000 2.313 533 L HA 0.914 5.254 4.340 -0.000 0.000 0.283 533 L C -0.684 175.739 176.870 -0.745 0.000 1.013 533 L CA -0.683 53.816 54.840 -0.567 0.000 0.816 533 L CB 1.373 43.280 42.059 -0.254 0.000 1.236 533 L HN 0.866 nan 8.230 nan 0.000 0.419 534 A N 3.486 126.051 122.820 -0.424 0.000 2.469 534 A HA 0.701 5.021 4.320 -0.000 0.000 0.299 534 A C -2.127 175.466 177.584 0.015 0.000 1.098 534 A CA -0.471 51.458 52.037 -0.181 0.000 0.737 534 A CB 1.552 20.519 19.000 -0.055 0.000 1.312 534 A HN 0.765 nan 8.150 nan 0.000 0.414 535 W N 1.048 122.291 121.300 -0.095 0.000 2.864 535 W HA 0.650 5.310 4.660 -0.000 0.000 0.343 535 W C -1.359 175.144 176.519 -0.027 0.000 1.109 535 W CA -0.512 56.796 57.345 -0.061 0.000 1.192 535 W CB 1.954 31.381 29.460 -0.055 0.000 1.426 535 W HN 1.034 nan 8.180 nan 0.000 0.529 536 V N 1.713 120.961 119.914 -1.111 0.000 3.012 536 V HA 0.602 4.722 4.120 -0.000 0.000 0.307 536 V C -2.753 172.358 176.094 -1.639 0.000 1.166 536 V CA -2.958 58.685 62.300 -1.095 0.000 0.974 536 V CB 1.444 33.002 31.823 -0.442 0.000 1.040 536 V HN 0.517 nan 8.190 nan 0.000 0.428 537 P HA 0.108 nan 4.420 nan 0.000 0.251 537 P C 0.315 177.395 177.300 -0.365 0.000 1.154 537 P CA 1.106 63.828 63.100 -0.630 0.000 0.805 537 P CB -0.128 31.439 31.700 -0.222 0.000 0.759 538 A N 3.881 126.553 122.820 -0.247 0.000 2.540 538 A HA -0.049 4.271 4.320 -0.000 0.000 0.239 538 A C 0.765 178.346 177.584 -0.006 0.000 1.061 538 A CA 0.224 52.176 52.037 -0.142 0.000 0.758 538 A CB -1.007 17.932 19.000 -0.102 0.000 0.991 538 A HN 0.814 nan 8.150 nan 0.000 0.502 539 H N -0.060 118.993 119.070 -0.030 0.000 2.740 539 H HA -0.212 4.344 4.556 -0.000 0.000 0.306 539 H C 1.217 176.536 175.328 -0.014 0.000 1.096 539 H CA 0.925 56.967 56.048 -0.011 0.000 1.155 539 H CB -0.513 29.255 29.762 0.009 0.000 1.367 539 H HN 0.682 nan 8.280 nan 0.000 0.387 540 K N 0.697 121.141 120.400 0.074 0.000 2.365 540 K HA 0.113 4.433 4.320 -0.000 0.000 0.197 540 K C 1.065 177.676 176.600 0.019 0.000 1.042 540 K CA 0.942 57.249 56.287 0.033 0.000 0.987 540 K CB 0.563 33.061 32.500 -0.004 0.000 0.779 540 K HN 0.523 nan 8.250 nan 0.000 0.484 541 G N 1.247 110.057 108.800 0.017 0.000 2.956 541 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.263 541 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.263 541 G C -0.605 174.294 174.900 -0.001 0.000 1.090 541 G CA -0.263 44.840 45.100 0.005 0.000 1.185 541 G HN 0.055 nan 8.290 nan 0.000 0.566 542 I N 0.412 120.983 120.570 0.002 0.000 2.603 542 I HA 0.599 4.769 4.170 -0.000 0.000 0.300 542 I C 1.309 177.439 176.117 0.021 0.000 1.017 542 I CA -0.626 60.678 61.300 0.006 0.000 1.098 542 I CB 1.342 39.339 38.000 -0.004 0.000 1.279 542 I HN 0.484 nan 8.210 nan 0.000 0.437 543 G N 2.549 111.359 108.800 0.017 0.000 2.138 543 G HA2 0.344 4.304 3.960 -0.000 0.000 0.256 543 G HA3 0.344 4.304 3.960 -0.000 0.000 0.256 543 G C 0.827 175.733 174.900 0.010 0.000 1.141 543 G CA 0.817 45.914 45.100 -0.004 0.000 0.967 543 G HN 1.243 nan 8.290 nan 0.000 0.435 544 G N 2.841 111.566 108.800 -0.126 0.000 3.626 544 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.241 544 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.241 544 G C 1.522 176.401 174.900 -0.035 0.000 1.824 544 G CA 0.676 45.538 45.100 -0.398 0.000 1.511 544 G HN 0.777 nan 8.290 nan 0.000 0.600 545 N N 1.840 120.708 118.700 0.280 0.000 2.192 545 N HA -0.163 4.577 4.740 -0.000 0.000 0.188 545 N C 1.925 177.492 175.510 0.096 0.000 1.013 545 N CA 2.273 55.449 53.050 0.209 0.000 0.863 545 N CB -0.204 38.358 38.487 0.125 0.000 0.990 545 N HN 0.754 nan 8.380 nan 0.000 0.430 546 E N 0.397 120.622 120.200 0.042 0.000 2.023 546 E HA -0.260 4.090 4.350 -0.000 0.000 0.196 546 E C 1.929 178.518 176.600 -0.018 0.000 1.003 546 E CA 1.189 57.591 56.400 0.003 0.000 0.809 546 E CB -0.261 29.429 29.700 -0.017 0.000 0.755 546 E HN 0.356 nan 8.360 nan 0.000 0.449 547 Q N 0.683 120.455 119.800 -0.046 0.000 2.061 547 Q HA -0.142 4.198 4.340 -0.000 0.000 0.204 547 Q C 2.309 178.289 176.000 -0.033 0.000 0.984 547 Q CA 2.007 57.773 55.803 -0.061 0.000 0.846 547 Q CB -0.196 28.475 28.738 -0.111 0.000 0.902 547 Q HN 0.335 nan 8.270 nan 0.000 0.421 548 V N 1.668 121.581 119.914 -0.001 0.000 2.427 548 V HA -0.202 3.918 4.120 -0.000 0.000 0.248 548 V C 2.289 178.411 176.094 0.046 0.000 1.051 548 V CA 1.915 64.240 62.300 0.042 0.000 1.048 548 V CB -0.860 31.038 31.823 0.125 0.000 0.666 548 V HN 0.364 nan 8.190 nan 0.000 0.456 549 D N 0.474 120.908 120.400 0.056 0.000 2.158 549 D HA -0.225 4.415 4.640 -0.000 0.000 0.197 549 D C 2.060 178.341 176.300 -0.031 0.000 0.995 549 D CA 1.469 55.492 54.000 0.040 0.000 0.846 549 D CB -0.027 40.784 40.800 0.018 0.000 0.941 549 D HN 0.253 nan 8.370 nan 0.000 0.456 550 K N -0.120 120.259 120.400 -0.036 0.000 1.985 550 K HA -0.063 4.257 4.320 -0.000 0.000 0.210 550 K C 1.979 178.558 176.600 -0.035 0.000 1.047 550 K CA 1.356 57.614 56.287 -0.048 0.000 0.932 550 K CB -0.702 31.771 32.500 -0.045 0.000 0.716 550 K HN 0.298 nan 8.250 nan 0.000 0.439 551 L N -1.193 120.013 121.223 -0.027 0.000 2.622 551 L HA 0.099 4.439 4.340 -0.000 0.000 0.233 551 L C 1.444 178.304 176.870 -0.016 0.000 1.156 551 L CA 0.808 55.632 54.840 -0.027 0.000 0.866 551 L CB -0.685 41.352 42.059 -0.036 0.000 0.980 551 L HN -0.123 nan 8.230 nan 0.000 0.448 552 V N -0.426 119.488 119.914 -0.000 0.000 2.581 552 V HA -0.037 4.083 4.120 -0.000 0.000 0.240 552 V C 2.534 178.640 176.094 0.021 0.000 1.054 552 V CA 1.428 63.742 62.300 0.023 0.000 1.076 552 V CB 0.184 32.045 31.823 0.063 0.000 0.748 552 V HN 0.667 nan 8.190 nan 0.000 0.474 553 S N 1.190 116.891 115.700 0.001 0.000 2.406 553 S HA 0.192 4.662 4.470 -0.000 0.000 0.224 553 S C 1.370 175.957 174.600 -0.022 0.000 1.030 553 S CA 0.529 58.721 58.200 -0.014 0.000 0.958 553 S CB -0.421 62.728 63.200 -0.086 0.000 0.811 553 S HN 0.525 nan 8.310 nan 0.000 0.489 554 A N 1.799 124.601 122.820 -0.030 0.000 2.553 554 A HA 0.491 4.811 4.320 -0.000 0.000 0.258 554 A C 1.109 178.684 177.584 -0.015 0.000 1.069 554 A CA 0.314 52.335 52.037 -0.026 0.000 0.767 554 A CB -1.514 17.469 19.000 -0.029 0.000 0.997 554 A HN 1.814 nan 8.150 nan 0.000 0.512 555 G N 0.250 109.043 108.800 -0.012 0.000 3.137 555 G HA2 0.451 4.411 3.960 -0.000 0.000 0.686 555 G HA3 0.451 4.411 3.960 -0.000 0.000 0.686 555 G C 0.431 175.331 174.900 0.000 0.000 0.988 555 G CA 0.171 45.268 45.100 -0.006 0.000 0.789 555 G HN 2.813 nan 8.290 nan 0.000 0.544 556 I N -2.594 117.978 120.570 0.004 0.000 6.132 556 I HA 0.503 4.673 4.170 -0.000 0.000 0.126 556 I C 0.966 177.092 176.117 0.016 0.000 1.821 556 I CA 2.883 64.189 61.300 0.010 0.000 2.038 556 I CB -2.549 35.458 38.000 0.012 0.000 3.442 556 I HN 3.231 nan 8.210 nan 0.000 0.169 557 R N 0.000 120.507 120.500 0.012 0.000 2.786 557 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 557 R CA 0.000 56.110 56.100 0.017 0.000 0.921 557 R CB 0.000 30.311 30.300 0.018 0.000 0.687 557 R HN 0.000 nan 8.270 nan 0.000 0.535