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 3dle_1_A DATA FIRST_RESID 1 DATA SEQUENCE PISPIETVPV KLKPGMDGPK VKQWPLTEEK IKALVEICTE MEKEGKISKI DATA SEQUENCE GPENPYNTPV FAIKKXXXTK WRKLVDFREL NKRTQDFWEV QLGIPHPAGL DATA SEQUENCE KKKKSVTVLD VGDAYFSVPL DEDFRKYTAF TIPSINNETP GIRYQYNVLP DATA SEQUENCE QGWKGSPAIF QSSMTKILEP FRKQNPDIVI YQYMDDLYVG SDLEIGQHRT DATA SEQUENCE KIEELRQHLL RWGLTTPDKK HQKEPPFLWM GYELHPDKWT VQPIVLPEKD DATA SEQUENCE SWTVNDIQKL VGKLNWASQI YPGIKVRQLX 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 RGRQKVVTLT DTTNQKTELQ AIYLALQDSG LEVNIVTDSQ DATA SEQUENCE YALGIIQAQP DQSESELVNQ IIEQLIKKEK VYLAWVPA 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 0.000 177.352 177.300 0.087 0.000 1.155 1 P CA 0.000 63.135 63.100 0.058 0.000 0.800 1 P CB 0.000 31.727 31.700 0.046 0.000 0.726 2 I N 0.552 121.175 120.570 0.088 0.000 2.331 2 I HA 0.281 4.466 4.170 0.025 0.000 0.292 2 I C 0.278 176.464 176.117 0.115 0.000 0.998 2 I CA -0.460 60.907 61.300 0.110 0.000 1.267 2 I CB 1.448 39.511 38.000 0.105 0.000 1.386 2 I HN 0.242 nan 8.210 nan 0.000 0.476 3 S N 8.325 124.111 115.700 0.143 0.000 2.525 3 S HA 0.076 4.560 4.470 0.025 0.000 0.285 3 S C -1.691 173.020 174.600 0.185 0.000 1.283 3 S CA -0.643 57.669 58.200 0.187 0.000 1.072 3 S CB 0.222 63.543 63.200 0.202 0.000 0.867 3 S HN 0.518 nan 8.310 nan 0.000 0.492 4 P HA 0.182 nan 4.420 nan 0.000 0.237 4 P C -0.543 176.918 177.300 0.269 0.000 1.723 4 P CA 0.079 63.284 63.100 0.174 0.000 0.882 4 P CB -0.512 31.240 31.700 0.086 0.000 1.810 5 I N -0.820 119.892 120.570 0.238 0.000 2.577 5 I HA 0.255 4.439 4.170 0.025 0.000 0.300 5 I C 1.145 177.328 176.117 0.109 0.000 0.990 5 I CA -1.085 60.321 61.300 0.176 0.000 1.283 5 I CB 1.049 39.089 38.000 0.067 0.000 1.411 5 I HN -0.113 nan 8.210 nan 0.000 0.515 6 E N 2.766 123.014 120.200 0.080 0.000 2.383 6 E HA 0.110 4.474 4.350 0.025 0.000 0.264 6 E C -0.221 176.405 176.600 0.044 0.000 1.050 6 E CA -0.074 56.362 56.400 0.061 0.000 0.896 6 E CB 1.140 30.869 29.700 0.049 0.000 0.982 6 E HN 0.663 nan 8.360 nan 0.000 0.424 7 T N -1.673 112.910 114.554 0.049 0.000 2.849 7 T HA 0.304 4.669 4.350 0.025 0.000 0.284 7 T C 0.241 174.966 174.700 0.041 0.000 1.004 7 T CA -0.894 61.234 62.100 0.047 0.000 1.021 7 T CB 0.995 69.897 68.868 0.057 0.000 1.013 7 T HN 0.094 nan 8.240 nan 0.000 0.527 8 V N 3.884 123.825 119.914 0.045 0.000 2.394 8 V HA 0.385 4.520 4.120 0.025 0.000 0.282 8 V C -1.910 174.227 176.094 0.072 0.000 1.031 8 V CA -2.016 60.316 62.300 0.054 0.000 0.881 8 V CB 1.257 33.117 31.823 0.061 0.000 0.982 8 V HN 0.856 nan 8.190 nan 0.000 0.451 9 P HA 0.185 nan 4.420 nan 0.000 0.274 9 P C -0.591 176.745 177.300 0.061 0.000 1.291 9 P CA 0.184 63.324 63.100 0.066 0.000 0.815 9 P CB 0.922 32.652 31.700 0.050 0.000 0.897 10 V N 4.924 124.868 119.914 0.050 0.000 2.834 10 V HA 0.496 4.631 4.120 0.025 0.000 0.313 10 V C 0.600 176.699 176.094 0.009 0.000 1.060 10 V CA -0.414 61.860 62.300 -0.044 0.000 0.989 10 V CB 1.710 33.372 31.823 -0.269 0.000 1.041 10 V HN 0.475 nan 8.190 nan 0.000 0.459 11 K N 1.730 122.114 120.400 -0.027 0.000 2.522 11 K HA 0.645 4.980 4.320 0.025 0.000 0.275 11 K C -1.611 175.076 176.600 0.145 0.000 1.006 11 K CA -0.894 55.471 56.287 0.131 0.000 0.890 11 K CB 2.350 34.875 32.500 0.042 0.000 1.475 11 K HN 0.364 nan 8.250 nan 0.000 0.441 12 L N 1.821 123.109 121.223 0.107 0.000 2.399 12 L HA 0.351 4.705 4.340 0.025 0.000 0.265 12 L C 0.525 177.388 176.870 -0.012 0.000 1.089 12 L CA -0.640 54.211 54.840 0.018 0.000 0.802 12 L CB 0.734 42.675 42.059 -0.195 0.000 1.180 12 L HN 0.422 nan 8.230 nan 0.000 0.454 13 K N 1.504 121.896 120.400 -0.015 0.000 2.323 13 K HA 0.004 4.339 4.320 0.025 0.000 0.259 13 K C -2.174 174.417 176.600 -0.015 0.000 0.993 13 K CA -1.124 55.149 56.287 -0.023 0.000 0.866 13 K CB -0.382 32.111 32.500 -0.012 0.000 0.997 13 K HN 0.304 nan 8.250 nan 0.000 0.524 14 P HA -0.157 nan 4.420 nan 0.000 0.247 14 P C 0.564 177.868 177.300 0.006 0.000 1.141 14 P CA 1.502 64.600 63.100 -0.003 0.000 0.858 14 P CB -0.232 31.466 31.700 -0.003 0.000 0.804 15 G N 3.258 112.065 108.800 0.012 0.000 2.562 15 G HA2 -0.381 3.593 3.960 0.025 0.000 0.241 15 G HA3 -0.381 3.593 3.960 0.025 0.000 0.241 15 G C 0.539 175.454 174.900 0.025 0.000 1.120 15 G CA 0.277 45.390 45.100 0.022 0.000 0.673 15 G HN 0.455 nan 8.290 nan 0.000 0.519 16 M N 0.971 120.580 119.600 0.015 0.000 2.214 16 M HA 0.249 4.744 4.480 0.025 0.000 0.306 16 M C 0.541 176.846 176.300 0.007 0.000 0.998 16 M CA 1.131 56.441 55.300 0.017 0.000 1.071 16 M CB 0.043 32.648 32.600 0.008 0.000 1.466 16 M HN 0.451 nan 8.290 nan 0.000 0.433 17 D N 0.079 120.503 120.400 0.040 0.000 2.414 17 D HA 0.517 5.172 4.640 0.025 0.000 0.241 17 D C -0.212 176.105 176.300 0.029 0.000 1.008 17 D CA -0.212 53.839 54.000 0.086 0.000 1.001 17 D CB 1.264 42.194 40.800 0.218 0.000 1.277 17 D HN 0.622 nan 8.370 nan 0.000 0.538 18 G N 0.858 109.651 108.800 -0.012 0.000 2.559 18 G HA2 0.269 4.244 3.960 0.025 0.000 0.235 18 G HA3 0.269 4.244 3.960 0.025 0.000 0.235 18 G C -2.138 172.910 174.900 0.247 0.000 1.266 18 G CA -0.748 44.238 45.100 -0.189 0.000 0.847 18 G HN 0.449 nan 8.290 nan 0.000 0.583 19 P HA 0.187 nan 4.420 nan 0.000 0.272 19 P C -0.346 177.138 177.300 0.306 0.000 1.230 19 P CA -0.068 63.172 63.100 0.234 0.000 0.788 19 P CB 1.294 33.121 31.700 0.212 0.000 0.949 20 K N 0.163 120.689 120.400 0.210 0.000 2.554 20 K HA 0.135 4.470 4.320 0.025 0.000 0.211 20 K C 0.346 177.012 176.600 0.110 0.000 1.226 20 K CA -0.339 56.042 56.287 0.156 0.000 1.025 20 K CB 0.918 33.482 32.500 0.106 0.000 1.021 20 K HN 0.224 nan 8.250 nan 0.000 0.600 21 V N 3.730 123.718 119.914 0.122 0.000 2.872 21 V HA -0.135 3.999 4.120 0.025 0.000 0.302 21 V C 0.020 176.163 176.094 0.081 0.000 1.166 21 V CA 0.501 62.863 62.300 0.103 0.000 1.298 21 V CB 0.161 32.064 31.823 0.132 0.000 0.894 21 V HN 0.321 nan 8.190 nan 0.000 0.509 22 K N 4.827 125.258 120.400 0.052 0.000 2.143 22 K HA 0.453 4.787 4.320 0.025 0.000 0.272 22 K C -0.210 176.408 176.600 0.031 0.000 1.001 22 K CA -0.749 55.553 56.287 0.025 0.000 0.915 22 K CB 1.230 33.722 32.500 -0.013 0.000 1.047 22 K HN 0.690 nan 8.250 nan 0.000 0.458 23 Q N 3.290 123.104 119.800 0.023 0.000 2.247 23 Q HA -0.091 4.264 4.340 0.025 0.000 0.288 23 Q C -1.065 174.970 176.000 0.058 0.000 1.079 23 Q CA 0.241 56.059 55.803 0.025 0.000 0.932 23 Q CB 0.344 29.092 28.738 0.015 0.000 1.133 23 Q HN 0.666 nan 8.270 nan 0.000 0.377 24 W N 6.871 128.124 121.300 -0.079 0.000 2.170 24 W HA 0.158 4.833 4.660 0.025 0.000 0.342 24 W C -2.165 174.362 176.519 0.013 0.000 1.294 24 W CA -1.529 55.837 57.345 0.035 0.000 1.246 24 W CB 0.576 30.166 29.460 0.216 0.000 1.156 24 W HN 0.586 nan 8.180 nan 0.000 0.572 25 P HA 0.295 nan 4.420 nan 0.000 0.285 25 P C -0.954 176.488 177.300 0.236 0.000 1.259 25 P CA 0.083 63.274 63.100 0.151 0.000 0.794 25 P CB 1.555 33.286 31.700 0.052 0.000 0.940 26 L N 1.529 122.826 121.223 0.123 0.000 2.279 26 L HA 0.556 4.911 4.340 0.025 0.000 0.262 26 L C 1.240 178.130 176.870 0.034 0.000 1.019 26 L CA -0.818 54.068 54.840 0.077 0.000 0.823 26 L CB 1.927 43.993 42.059 0.012 0.000 1.358 26 L HN 0.366 nan 8.230 nan 0.000 0.432 27 T N -3.550 111.007 114.554 0.005 0.000 2.824 27 T HA 0.147 4.511 4.350 0.025 0.000 0.277 27 T C 0.834 175.523 174.700 -0.017 0.000 0.975 27 T CA -0.189 61.915 62.100 0.005 0.000 0.966 27 T CB 1.182 70.061 68.868 0.018 0.000 1.054 27 T HN 0.797 nan 8.240 nan 0.000 0.533 28 E N -0.092 120.108 120.200 0.000 0.000 2.204 28 E HA -0.198 4.166 4.350 0.025 0.000 0.195 28 E C 1.849 178.442 176.600 -0.012 0.000 0.990 28 E CA 1.402 57.801 56.400 -0.002 0.000 0.821 28 E CB -0.202 29.506 29.700 0.013 0.000 0.750 28 E HN 0.833 nan 8.360 nan 0.000 0.477 29 E N 1.204 121.403 120.200 -0.002 0.000 2.007 29 E HA -0.217 4.148 4.350 0.025 0.000 0.194 29 E C 1.924 178.442 176.600 -0.137 0.000 0.999 29 E CA 1.367 57.778 56.400 0.018 0.000 0.811 29 E CB 0.017 29.790 29.700 0.123 0.000 0.762 29 E HN 0.228 nan 8.360 nan 0.000 0.450 30 K N 0.226 120.437 120.400 -0.315 0.000 2.160 30 K HA -0.155 4.180 4.320 0.025 0.000 0.206 30 K C 2.214 178.601 176.600 -0.354 0.000 1.047 30 K CA 1.342 57.248 56.287 -0.635 0.000 0.930 30 K CB -0.174 31.968 32.500 -0.597 0.000 0.720 30 K HN 0.310 nan 8.250 nan 0.000 0.450 31 I N 1.042 121.506 120.570 -0.178 0.000 2.252 31 I HA -0.249 3.936 4.170 0.025 0.000 0.245 31 I C 2.564 178.644 176.117 -0.062 0.000 1.102 31 I CA 1.107 62.352 61.300 -0.092 0.000 1.385 31 I CB -0.189 37.786 38.000 -0.042 0.000 1.064 31 I HN 0.147 nan 8.210 nan 0.000 0.414 32 K N 1.317 121.687 120.400 -0.050 0.000 2.148 32 K HA -0.133 4.202 4.320 0.025 0.000 0.204 32 K C 2.140 178.739 176.600 -0.002 0.000 1.050 32 K CA 1.252 57.534 56.287 -0.008 0.000 0.942 32 K CB 0.011 32.522 32.500 0.017 0.000 0.724 32 K HN 0.284 nan 8.250 nan 0.000 0.446 33 A N 1.023 123.815 122.820 -0.045 0.000 1.929 33 A HA -0.058 4.276 4.320 0.025 0.000 0.216 33 A C 2.009 179.585 177.584 -0.013 0.000 1.176 33 A CA 0.900 52.940 52.037 0.005 0.000 0.628 33 A CB -0.355 18.602 19.000 -0.072 0.000 0.816 33 A HN 0.267 nan 8.150 nan 0.000 0.444 34 L N -0.561 120.621 121.223 -0.069 0.000 2.072 34 L HA -0.110 4.244 4.340 0.025 0.000 0.205 34 L C 2.484 179.360 176.870 0.010 0.000 1.079 34 L CA 0.798 55.616 54.840 -0.037 0.000 0.752 34 L CB -0.502 41.528 42.059 -0.048 0.000 0.906 34 L HN 0.229 nan 8.230 nan 0.000 0.436 35 V N 0.049 119.978 119.914 0.026 0.000 2.332 35 V HA -0.319 3.816 4.120 0.025 0.000 0.248 35 V C 2.425 178.541 176.094 0.037 0.000 1.055 35 V CA 2.015 64.351 62.300 0.059 0.000 1.038 35 V CB -0.478 31.375 31.823 0.051 0.000 0.651 35 V HN 0.462 nan 8.190 nan 0.000 0.450 36 E N 0.186 120.400 120.200 0.024 0.000 2.038 36 E HA -0.222 4.143 4.350 0.025 0.000 0.195 36 E C 2.136 178.734 176.600 -0.003 0.000 1.000 36 E CA 1.910 58.322 56.400 0.019 0.000 0.803 36 E CB -0.212 29.509 29.700 0.034 0.000 0.750 36 E HN 0.580 nan 8.360 nan 0.000 0.448 37 I N 0.239 120.802 120.570 -0.012 0.000 2.127 37 I HA -0.361 3.824 4.170 0.025 0.000 0.241 37 I C 2.418 178.473 176.117 -0.103 0.000 1.075 37 I CA 1.007 62.277 61.300 -0.049 0.000 1.334 37 I CB -0.349 37.624 38.000 -0.045 0.000 1.040 37 I HN 0.355 nan 8.210 nan 0.000 0.405 38 C N 0.271 119.501 119.300 -0.117 0.000 2.419 38 C HA -0.110 4.365 4.460 0.025 0.000 0.283 38 C C 2.905 177.744 174.990 -0.251 0.000 1.373 38 C CA 1.160 60.014 59.018 -0.272 0.000 1.781 38 C CB -1.290 26.253 27.740 -0.329 0.000 1.886 38 C HN 0.536 nan 8.230 nan 0.000 0.520 39 T N 0.561 115.069 114.554 -0.076 0.000 2.896 39 T HA -0.123 4.242 4.350 0.025 0.000 0.263 39 T C 1.775 176.449 174.700 -0.043 0.000 1.050 39 T CA 1.582 63.674 62.100 -0.013 0.000 1.140 39 T CB -0.213 68.671 68.868 0.026 0.000 0.877 39 T HN 0.612 nan 8.240 nan 0.000 0.457 40 E N 1.435 121.599 120.200 -0.060 0.000 2.106 40 E HA -0.017 4.347 4.350 0.025 0.000 0.192 40 E C 2.014 178.560 176.600 -0.090 0.000 0.984 40 E CA 1.292 57.656 56.400 -0.061 0.000 0.806 40 E CB -0.344 29.320 29.700 -0.060 0.000 0.750 40 E HN 0.460 nan 8.360 nan 0.000 0.458 41 M N -0.121 119.394 119.600 -0.141 0.000 2.193 41 M HA -0.039 4.456 4.480 0.025 0.000 0.265 41 M C 2.391 178.610 176.300 -0.134 0.000 1.071 41 M CA 1.647 56.845 55.300 -0.171 0.000 1.140 41 M CB -0.270 32.178 32.600 -0.254 0.000 1.369 41 M HN 0.176 nan 8.290 nan 0.000 0.423 42 E N 0.838 120.949 120.200 -0.147 0.000 2.097 42 E HA -0.248 4.116 4.350 0.025 0.000 0.196 42 E C 2.078 178.669 176.600 -0.015 0.000 1.000 42 E CA 1.282 57.647 56.400 -0.059 0.000 0.804 42 E CB 0.123 29.848 29.700 0.043 0.000 0.740 42 E HN 0.092 nan 8.360 nan 0.000 0.454 43 K N 0.885 121.273 120.400 -0.020 0.000 2.026 43 K HA -0.160 4.175 4.320 0.025 0.000 0.208 43 K C 1.767 178.363 176.600 -0.007 0.000 1.048 43 K CA 1.706 57.988 56.287 -0.007 0.000 0.929 43 K CB -0.161 32.333 32.500 -0.010 0.000 0.713 43 K HN 0.313 nan 8.250 nan 0.000 0.439 44 E N -1.044 119.144 120.200 -0.020 0.000 2.472 44 E HA -0.044 4.320 4.350 0.025 0.000 0.200 44 E C 0.885 177.493 176.600 0.012 0.000 1.046 44 E CA 0.541 56.935 56.400 -0.009 0.000 0.871 44 E CB -0.007 29.676 29.700 -0.027 0.000 0.806 44 E HN 0.546 nan 8.360 nan 0.000 0.533 45 G N 1.185 109.992 108.800 0.011 0.000 2.175 45 G HA2 -0.293 3.681 3.960 0.025 0.000 0.244 45 G HA3 -0.293 3.681 3.960 0.025 0.000 0.244 45 G C 1.032 175.963 174.900 0.052 0.000 0.982 45 G CA 0.505 45.625 45.100 0.033 0.000 0.641 45 G HN 0.052 nan 8.290 nan 0.000 0.527 46 K N 0.281 120.705 120.400 0.040 0.000 2.002 46 K HA 0.083 4.418 4.320 0.025 0.000 0.209 46 K C 1.813 178.445 176.600 0.053 0.000 1.048 46 K CA 1.871 58.213 56.287 0.092 0.000 0.930 46 K CB -0.420 32.109 32.500 0.049 0.000 0.714 46 K HN 0.932 nan 8.250 nan 0.000 0.438 47 I N -3.218 117.315 120.570 -0.061 0.000 3.170 47 I HA 0.446 4.631 4.170 0.025 0.000 0.312 47 I C -0.707 175.423 176.117 0.021 0.000 1.085 47 I CA -0.912 60.333 61.300 -0.092 0.000 0.999 47 I CB 2.437 40.261 38.000 -0.293 0.000 1.233 47 I HN -0.292 nan 8.210 nan 0.000 0.467 48 S N 1.197 116.960 115.700 0.105 0.000 2.547 48 S HA 0.374 4.859 4.470 0.025 0.000 0.281 48 S C -0.800 173.900 174.600 0.168 0.000 1.118 48 S CA -0.736 57.550 58.200 0.143 0.000 0.947 48 S CB 1.786 65.022 63.200 0.060 0.000 1.053 48 S HN 0.552 nan 8.310 nan 0.000 0.482 49 K N 3.270 123.716 120.400 0.076 0.000 2.379 49 K HA 0.346 4.681 4.320 0.025 0.000 0.284 49 K C 0.131 176.623 176.600 -0.179 0.000 1.044 49 K CA 0.016 56.136 56.287 -0.277 0.000 0.974 49 K CB 0.051 32.395 32.500 -0.260 0.000 0.962 49 K HN 0.617 nan 8.250 nan 0.000 0.474 50 I N -0.605 119.829 120.570 -0.227 0.000 3.869 50 I HA 0.781 4.965 4.170 0.025 0.000 0.260 50 I C 0.347 176.372 176.117 -0.153 0.000 1.160 50 I CA -1.094 60.119 61.300 -0.146 0.000 1.248 50 I CB 1.633 39.566 38.000 -0.112 0.000 1.393 50 I HN 0.567 nan 8.210 nan 0.000 0.473 51 G N -0.964 107.766 108.800 -0.117 0.000 2.782 51 G HA2 0.499 4.474 3.960 0.025 0.000 0.304 51 G HA3 0.499 4.474 3.960 0.025 0.000 0.304 51 G C -2.518 172.326 174.900 -0.092 0.000 1.315 51 G CA -0.873 44.163 45.100 -0.107 0.000 0.791 51 G HN 0.401 nan 8.290 nan 0.000 0.519 52 P HA -0.245 nan 4.420 nan 0.000 0.225 52 P C 1.613 178.866 177.300 -0.079 0.000 1.154 52 P CA 1.680 64.735 63.100 -0.076 0.000 0.885 52 P CB 0.266 31.927 31.700 -0.064 0.000 0.785 53 E N -0.456 119.700 120.200 -0.073 0.000 2.020 53 E HA -0.211 4.153 4.350 0.025 0.000 0.229 53 E C 0.918 177.461 176.600 -0.096 0.000 1.022 53 E CA 0.905 57.262 56.400 -0.072 0.000 0.903 53 E CB -1.468 28.196 29.700 -0.059 0.000 0.812 53 E HN 0.246 nan 8.360 nan 0.000 0.529 54 N N 2.064 120.714 118.700 -0.083 0.000 2.047 54 N HA -0.130 4.624 4.740 0.025 0.000 0.292 54 N C -1.972 173.423 175.510 -0.191 0.000 1.356 54 N CA -0.166 52.831 53.050 -0.089 0.000 0.836 54 N CB 0.581 39.058 38.487 -0.017 0.000 1.113 54 N HN -0.010 nan 8.380 nan 0.000 0.495 55 P HA 0.065 nan 4.420 nan 0.000 0.240 55 P C -0.602 176.421 177.300 -0.462 0.000 1.190 55 P CA 0.642 63.447 63.100 -0.492 0.000 0.781 55 P CB 0.158 31.469 31.700 -0.648 0.000 0.931 56 Y N 0.034 120.340 120.300 0.010 0.000 2.316 56 Y HA 0.521 5.085 4.550 0.025 0.000 0.324 56 Y C 0.866 176.797 175.900 0.051 0.000 1.267 56 Y CA -0.504 57.625 58.100 0.048 0.000 1.311 56 Y CB 0.364 38.868 38.460 0.074 0.000 1.267 56 Y HN -0.214 nan 8.280 nan 0.000 0.516 57 N N -1.371 117.482 118.700 0.254 0.000 3.043 57 N HA 0.533 5.287 4.740 0.025 0.000 0.243 57 N C -1.985 173.640 175.510 0.192 0.000 1.347 57 N CA -0.531 52.632 53.050 0.187 0.000 0.896 57 N CB 1.764 40.315 38.487 0.107 0.000 1.501 57 N HN 0.612 nan 8.380 nan 0.000 0.504 58 T N 1.703 116.365 114.554 0.179 0.000 2.912 58 T HA 0.536 4.900 4.350 0.025 0.000 0.299 58 T C -2.946 171.759 174.700 0.008 0.000 1.052 58 T CA -0.912 61.247 62.100 0.098 0.000 0.996 58 T CB 2.239 71.130 68.868 0.038 0.000 1.070 58 T HN 0.349 nan 8.240 nan 0.000 0.465 59 P HA 0.244 nan 4.420 nan 0.000 0.276 59 P C -0.567 176.407 177.300 -0.544 0.000 1.253 59 P CA -0.245 62.703 63.100 -0.254 0.000 0.766 59 P CB 0.946 32.570 31.700 -0.127 0.000 0.845 60 V N 5.697 125.276 119.914 -0.559 0.000 2.532 60 V HA 0.549 4.684 4.120 0.025 0.000 0.295 60 V C -0.810 174.835 176.094 -0.747 0.000 1.041 60 V CA -0.388 61.585 62.300 -0.544 0.000 0.926 60 V CB 0.481 32.110 31.823 -0.324 0.000 0.992 60 V HN 0.291 nan 8.190 nan 0.000 0.457 61 F N 3.571 123.444 119.950 -0.127 0.000 2.661 61 F HA 0.896 5.437 4.527 0.025 0.000 0.347 61 F C 0.325 176.040 175.800 -0.143 0.000 1.086 61 F CA -0.492 57.424 58.000 -0.140 0.000 1.016 61 F CB 1.939 40.838 39.000 -0.168 0.000 1.368 61 F HN 0.608 nan 8.300 nan 0.000 0.505 62 A N 1.614 124.480 122.820 0.075 0.000 2.499 62 A HA 0.741 5.076 4.320 0.025 0.000 0.280 62 A C -1.338 176.323 177.584 0.128 0.000 1.135 62 A CA -0.413 51.590 52.037 -0.058 0.000 0.744 62 A CB 0.158 18.875 19.000 -0.473 0.000 1.213 62 A HN 0.605 nan 8.150 nan 0.000 0.434 63 I N -0.871 119.873 120.570 0.291 0.000 2.750 63 I HA 0.759 4.944 4.170 0.025 0.000 0.308 63 I C -0.260 176.106 176.117 0.415 0.000 1.016 63 I CA -1.029 60.477 61.300 0.344 0.000 1.098 63 I CB 1.683 39.767 38.000 0.141 0.000 1.279 63 I HN 0.459 nan 8.210 nan 0.000 0.454 64 K N 3.729 124.236 120.400 0.180 0.000 2.323 64 K HA 0.497 4.831 4.320 0.025 0.000 0.259 64 K C -0.802 175.757 176.600 -0.068 0.000 0.947 64 K CA -0.686 55.539 56.287 -0.105 0.000 0.819 64 K CB 1.276 33.476 32.500 -0.499 0.000 1.109 64 K HN 0.821 nan 8.250 nan 0.000 0.429 70 K N 0.188 120.494 120.400 -0.158 0.000 2.106 70 K HA 0.661 4.996 4.320 0.025 0.000 0.246 70 K C -0.663 175.873 176.600 -0.106 0.000 0.987 70 K CA -1.226 54.970 56.287 -0.153 0.000 0.904 70 K CB 1.387 33.864 32.500 -0.040 0.000 1.071 70 K HN 0.272 nan 8.250 nan 0.000 0.453 71 W N 1.146 122.444 121.300 -0.004 0.000 2.210 71 W HA 0.167 4.842 4.660 0.024 0.000 0.330 71 W C 0.488 177.002 176.519 -0.009 0.000 1.334 71 W CA -0.536 56.807 57.345 -0.003 0.000 1.227 71 W CB 0.746 30.207 29.460 0.002 0.000 1.178 71 W HN 0.330 nan 8.180 nan 0.000 0.560 72 R N 2.516 123.223 120.500 0.344 0.000 2.750 72 R HA 0.293 4.647 4.340 0.025 0.000 0.281 72 R C -0.234 176.142 176.300 0.126 0.000 0.972 72 R CA -1.242 54.959 56.100 0.168 0.000 0.912 72 R CB 2.283 32.652 30.300 0.116 0.000 1.187 72 R HN 0.376 nan 8.270 nan 0.000 0.464 73 K N 2.061 122.493 120.400 0.054 0.000 2.168 73 K HA 0.276 4.611 4.320 0.025 0.000 0.258 73 K C -1.072 175.549 176.600 0.034 0.000 1.010 73 K CA -0.315 55.976 56.287 0.006 0.000 0.929 73 K CB 0.669 33.138 32.500 -0.051 0.000 0.998 73 K HN 0.342 nan 8.250 nan 0.000 0.479 74 L N 3.632 124.861 121.223 0.010 0.000 2.628 74 L HA 0.228 4.583 4.340 0.025 0.000 0.258 74 L C -1.747 175.114 176.870 -0.017 0.000 1.027 74 L CA -0.449 54.419 54.840 0.046 0.000 0.910 74 L CB 1.365 43.486 42.059 0.103 0.000 1.157 74 L HN 0.302 nan 8.230 nan 0.000 0.452 75 V N 2.292 122.136 119.914 -0.117 0.000 2.488 75 V HA 0.297 4.432 4.120 0.025 0.000 0.277 75 V C 0.111 176.016 176.094 -0.316 0.000 1.046 75 V CA -0.323 61.758 62.300 -0.365 0.000 0.986 75 V CB 1.292 32.732 31.823 -0.638 0.000 0.989 75 V HN 0.696 nan 8.190 nan 0.000 0.475 76 D N 3.610 123.860 120.400 -0.249 0.000 2.468 76 D HA 0.250 4.905 4.640 0.025 0.000 0.218 76 D C 0.256 176.510 176.300 -0.077 0.000 1.155 76 D CA -0.183 53.796 54.000 -0.034 0.000 0.924 76 D CB 0.148 41.057 40.800 0.182 0.000 1.029 76 D HN 0.456 nan 8.370 nan 0.000 0.515 77 F N 2.084 122.121 119.950 0.145 0.000 2.664 77 F HA 0.194 4.736 4.527 0.024 0.000 0.301 77 F C 2.076 177.983 175.800 0.178 0.000 1.126 77 F CA -0.433 57.673 58.000 0.176 0.000 1.373 77 F CB 0.256 39.388 39.000 0.219 0.000 1.042 77 F HN 0.206 nan 8.300 nan 0.000 0.535 78 R N 0.412 121.084 120.500 0.286 0.000 2.113 78 R HA -0.187 4.167 4.340 0.025 0.000 0.244 78 R C 1.884 178.311 176.300 0.211 0.000 1.142 78 R CA 1.620 57.847 56.100 0.213 0.000 0.953 78 R CB -0.336 30.059 30.300 0.159 0.000 0.860 78 R HN 0.272 nan 8.270 nan 0.000 0.438 79 E N 0.734 121.066 120.200 0.219 0.000 2.072 79 E HA -0.157 4.208 4.350 0.025 0.000 0.191 79 E C 2.034 178.768 176.600 0.222 0.000 0.985 79 E CA 0.763 57.280 56.400 0.195 0.000 0.801 79 E CB -0.266 29.543 29.700 0.181 0.000 0.750 79 E HN 0.162 nan 8.360 nan 0.000 0.452 80 L N 1.858 123.267 121.223 0.310 0.000 2.141 80 L HA -0.100 4.255 4.340 0.025 0.000 0.209 80 L C 1.429 178.515 176.870 0.361 0.000 1.094 80 L CA 1.494 56.532 54.840 0.330 0.000 0.763 80 L CB -0.444 41.880 42.059 0.442 0.000 0.908 80 L HN -0.046 nan 8.230 nan 0.000 0.437 81 N N -0.042 118.861 118.700 0.338 0.000 2.331 81 N HA -0.119 4.636 4.740 0.025 0.000 0.180 81 N C 1.534 177.130 175.510 0.144 0.000 1.019 81 N CA 1.033 54.217 53.050 0.224 0.000 0.881 81 N CB -0.106 38.478 38.487 0.162 0.000 0.972 81 N HN 0.463 nan 8.380 nan 0.000 0.435 82 K N 0.125 120.611 120.400 0.142 0.000 2.365 82 K HA 0.142 4.477 4.320 0.025 0.000 0.197 82 K C 1.378 178.030 176.600 0.087 0.000 1.042 82 K CA 0.506 56.851 56.287 0.097 0.000 0.987 82 K CB 0.287 32.843 32.500 0.093 0.000 0.779 82 K HN 0.135 nan 8.250 nan 0.000 0.484 83 R N 0.217 120.784 120.500 0.112 0.000 2.308 83 R HA 0.101 4.456 4.340 0.025 0.000 0.202 83 R C 0.159 176.519 176.300 0.100 0.000 0.898 83 R CA 0.177 56.323 56.100 0.076 0.000 1.046 83 R CB 0.580 30.906 30.300 0.043 0.000 1.026 83 R HN -0.036 nan 8.270 nan 0.000 0.512 84 T N 2.477 117.148 114.554 0.195 0.000 2.897 84 T HA 0.054 4.418 4.350 0.025 0.000 0.294 84 T C 0.244 174.974 174.700 0.049 0.000 1.004 84 T CA -0.483 61.777 62.100 0.267 0.000 1.106 84 T CB 1.358 70.523 68.868 0.494 0.000 0.949 84 T HN 0.227 nan 8.240 nan 0.000 0.520 85 Q N 2.473 122.225 119.800 -0.079 0.000 2.624 85 Q HA 0.061 4.416 4.340 0.025 0.000 0.256 85 Q C -0.715 175.021 176.000 -0.440 0.000 1.119 85 Q CA -0.057 55.579 55.803 -0.279 0.000 0.995 85 Q CB 0.440 28.932 28.738 -0.410 0.000 1.318 85 Q HN 0.463 nan 8.270 nan 0.000 0.534 86 D N 0.195 120.358 120.400 -0.394 0.000 2.253 86 D HA 0.372 5.027 4.640 0.025 0.000 0.249 86 D C -0.864 175.144 176.300 -0.486 0.000 1.049 86 D CA -0.042 53.788 54.000 -0.282 0.000 0.929 86 D CB 0.676 41.410 40.800 -0.109 0.000 1.176 86 D HN 0.344 nan 8.370 nan 0.000 0.437 87 F N -0.246 119.664 119.950 -0.066 0.000 2.611 87 F HA 0.277 4.819 4.527 0.024 0.000 0.324 87 F C 0.352 176.197 175.800 0.074 0.000 1.061 87 F CA -1.220 56.769 58.000 -0.018 0.000 0.954 87 F CB 1.032 39.968 39.000 -0.107 0.000 1.301 87 F HN 0.268 nan 8.300 nan 0.000 0.482 88 W N 3.692 125.057 121.300 0.108 0.000 2.223 88 W HA 0.098 4.772 4.660 0.025 0.000 0.334 88 W C 0.106 176.640 176.519 0.024 0.000 1.334 88 W CA -0.509 56.857 57.345 0.036 0.000 1.246 88 W CB 0.615 30.086 29.460 0.019 0.000 1.184 88 W HN 0.697 nan 8.180 nan 0.000 0.563 89 E N 2.166 121.837 120.200 -0.882 0.000 2.900 89 E HA -0.099 4.266 4.350 0.025 0.000 0.259 89 E C 0.721 177.056 176.600 -0.441 0.000 0.918 89 E CA -0.005 56.005 56.400 -0.650 0.000 0.960 89 E CB 0.472 29.696 29.700 -0.794 0.000 0.908 89 E HN 0.400 nan 8.360 nan 0.000 0.511 90 V N 1.547 121.314 119.914 -0.245 0.000 3.458 90 V HA -0.086 4.049 4.120 0.025 0.000 0.318 90 V C 0.527 176.538 176.094 -0.139 0.000 1.182 90 V CA 0.660 62.862 62.300 -0.163 0.000 1.303 90 V CB -1.756 29.977 31.823 -0.150 0.000 1.073 90 V HN 0.964 nan 8.190 nan 0.000 0.418 91 Q N -0.332 119.357 119.800 -0.184 0.000 2.422 91 Q HA -0.191 4.164 4.340 0.025 0.000 0.313 91 Q C -0.512 175.437 176.000 -0.085 0.000 1.308 91 Q CA 0.498 56.236 55.803 -0.108 0.000 0.841 91 Q CB -0.567 28.168 28.738 -0.005 0.000 0.948 91 Q HN 0.661 nan 8.270 nan 0.000 0.307 92 L N 3.737 124.896 121.223 -0.106 0.000 2.965 92 L HA 0.445 4.800 4.340 0.025 0.000 0.254 92 L C 0.556 177.415 176.870 -0.018 0.000 1.220 92 L CA 1.111 55.913 54.840 -0.063 0.000 1.023 92 L CB 0.780 42.782 42.059 -0.096 0.000 1.355 92 L HN 0.496 nan 8.230 nan 0.000 0.545 93 G N 1.758 110.560 108.800 0.003 0.000 2.475 93 G HA2 0.387 4.362 3.960 0.025 0.000 0.322 93 G HA3 0.387 4.362 3.960 0.025 0.000 0.322 93 G C 0.174 175.121 174.900 0.077 0.000 1.044 93 G CA -0.392 44.721 45.100 0.022 0.000 1.047 93 G HN 0.209 nan 8.290 nan 0.000 0.436 94 I N 2.117 122.737 120.570 0.084 0.000 2.581 94 I HA 0.323 4.508 4.170 0.025 0.000 0.285 94 I C -2.077 174.104 176.117 0.106 0.000 1.129 94 I CA -2.721 58.656 61.300 0.127 0.000 1.397 94 I CB -0.196 37.849 38.000 0.075 0.000 1.399 94 I HN 0.066 nan 8.210 nan 0.000 0.537 95 P HA 0.250 nan 4.420 nan 0.000 0.272 95 P C -0.677 176.683 177.300 0.101 0.000 1.254 95 P CA 0.113 63.289 63.100 0.127 0.000 0.795 95 P CB 0.349 32.145 31.700 0.160 0.000 1.022 96 H N 0.123 119.115 119.070 -0.130 0.000 2.759 96 H HA 0.224 4.795 4.556 0.025 0.000 0.354 96 H C -2.131 172.957 175.328 -0.401 0.000 1.074 96 H CA -2.045 53.822 56.048 -0.302 0.000 1.226 96 H CB 1.965 31.532 29.762 -0.326 0.000 1.648 96 H HN 0.129 nan 8.280 nan 0.000 0.529 97 P HA -0.212 nan 4.420 nan 0.000 0.217 97 P C 1.183 178.194 177.300 -0.482 0.000 1.158 97 P CA 2.596 65.157 63.100 -0.898 0.000 0.887 97 P CB -0.003 30.490 31.700 -2.010 0.000 0.792 98 A N -0.887 121.813 122.820 -0.199 0.000 2.194 98 A HA -0.094 4.241 4.320 0.025 0.000 0.220 98 A C 2.264 180.092 177.584 0.408 0.000 1.162 98 A CA 1.930 54.162 52.037 0.325 0.000 0.674 98 A CB -1.558 17.767 19.000 0.541 0.000 0.789 98 A HN 0.355 nan 8.150 nan 0.000 0.470 99 G N -1.060 107.785 108.800 0.075 0.000 2.796 99 G HA2 0.341 4.316 3.960 0.025 0.000 0.210 99 G HA3 0.341 4.316 3.960 0.025 0.000 0.210 99 G C 0.535 175.521 174.900 0.144 0.000 1.146 99 G CA -0.309 44.765 45.100 -0.043 0.000 0.779 99 G HN 0.400 nan 8.290 nan 0.000 0.535 100 L N 1.456 122.758 121.223 0.131 0.000 2.456 100 L HA 0.225 4.580 4.340 0.025 0.000 0.272 100 L C 0.226 177.208 176.870 0.187 0.000 1.189 100 L CA -0.050 54.837 54.840 0.079 0.000 0.846 100 L CB 0.724 42.768 42.059 -0.025 0.000 1.111 100 L HN -0.002 nan 8.230 nan 0.000 0.475 101 K N 3.113 123.566 120.400 0.088 0.000 2.205 101 K HA 0.238 4.573 4.320 0.025 0.000 0.279 101 K C -0.313 176.247 176.600 -0.067 0.000 1.027 101 K CA -0.853 55.480 56.287 0.077 0.000 0.932 101 K CB 1.328 33.853 32.500 0.042 0.000 1.032 101 K HN 0.388 nan 8.250 nan 0.000 0.466 102 K N 2.167 122.541 120.400 -0.044 0.000 2.485 102 K HA -0.057 4.278 4.320 0.025 0.000 0.277 102 K C -0.645 175.887 176.600 -0.114 0.000 0.990 102 K CA 0.585 56.783 56.287 -0.147 0.000 0.994 102 K CB 0.427 32.944 32.500 0.028 0.000 0.906 102 K HN 0.248 nan 8.250 nan 0.000 0.488 103 K N 2.608 122.924 120.400 -0.140 0.000 2.482 103 K HA 0.187 4.522 4.320 0.025 0.000 0.251 103 K C -0.097 176.464 176.600 -0.066 0.000 0.936 103 K CA -0.512 55.727 56.287 -0.081 0.000 0.791 103 K CB 1.535 33.989 32.500 -0.077 0.000 1.213 103 K HN 0.452 nan 8.250 nan 0.000 0.428 104 K N 0.240 120.610 120.400 -0.051 0.000 2.160 104 K HA -0.015 4.320 4.320 0.025 0.000 0.206 104 K C -0.309 176.230 176.600 -0.102 0.000 1.047 104 K CA 1.080 57.335 56.287 -0.053 0.000 0.930 104 K CB 0.046 32.521 32.500 -0.043 0.000 0.720 104 K HN 0.419 nan 8.250 nan 0.000 0.450 105 S N -0.059 115.529 115.700 -0.188 0.000 2.572 105 S HA 0.364 4.848 4.470 0.025 0.000 0.274 105 S C -1.066 173.385 174.600 -0.249 0.000 1.150 105 S CA -0.913 57.090 58.200 -0.327 0.000 0.944 105 S CB 2.620 65.356 63.200 -0.774 0.000 1.071 105 S HN -0.137 nan 8.310 nan 0.000 0.479 106 V N 2.426 122.331 119.914 -0.015 0.000 2.656 106 V HA 0.730 4.865 4.120 0.025 0.000 0.307 106 V C -0.424 175.829 176.094 0.264 0.000 1.051 106 V CA -0.410 61.968 62.300 0.130 0.000 0.893 106 V CB 2.252 34.141 31.823 0.111 0.000 0.999 106 V HN 0.926 nan 8.190 nan 0.000 0.426 107 T N 3.385 118.092 114.554 0.255 0.000 2.879 107 T HA 0.455 4.819 4.350 0.025 0.000 0.290 107 T C -0.869 173.854 174.700 0.038 0.000 0.993 107 T CA -0.325 61.919 62.100 0.241 0.000 0.975 107 T CB 1.845 70.887 68.868 0.290 0.000 0.981 107 T HN 0.499 nan 8.240 nan 0.000 0.439 108 V N 4.843 124.741 119.914 -0.027 0.000 2.481 108 V HA 0.700 4.835 4.120 0.025 0.000 0.286 108 V C -1.231 174.753 176.094 -0.184 0.000 1.042 108 V CA -0.642 61.473 62.300 -0.308 0.000 0.928 108 V CB 1.131 32.715 31.823 -0.399 0.000 0.986 108 V HN 0.669 nan 8.190 nan 0.000 0.462 109 L N 5.672 126.737 121.223 -0.263 0.000 2.349 109 L HA 0.570 4.925 4.340 0.025 0.000 0.278 109 L C -0.471 176.309 176.870 -0.149 0.000 0.996 109 L CA -0.205 54.547 54.840 -0.147 0.000 0.825 109 L CB 1.619 43.603 42.059 -0.124 0.000 1.243 109 L HN 0.753 nan 8.230 nan 0.000 0.412 110 D N 2.632 122.987 120.400 -0.076 0.000 2.264 110 D HA 0.405 5.060 4.640 0.025 0.000 0.250 110 D C -0.219 176.065 176.300 -0.027 0.000 1.113 110 D CA -0.084 53.886 54.000 -0.050 0.000 0.871 110 D CB 1.413 42.205 40.800 -0.014 0.000 1.167 110 D HN 0.251 nan 8.370 nan 0.000 0.447 111 V N 2.400 122.311 119.914 -0.006 0.000 2.575 111 V HA 0.525 4.660 4.120 0.025 0.000 0.281 111 V C 1.189 177.265 176.094 -0.031 0.000 1.087 111 V CA -0.118 62.201 62.300 0.031 0.000 1.193 111 V CB 0.360 32.273 31.823 0.150 0.000 1.426 111 V HN 0.501 nan 8.190 nan 0.000 0.623 112 G N 2.820 111.579 108.800 -0.069 0.000 2.705 112 G HA2 -0.239 3.735 3.960 0.025 0.000 0.214 112 G HA3 -0.239 3.735 3.960 0.025 0.000 0.214 112 G C 0.848 175.671 174.900 -0.129 0.000 1.321 112 G CA 1.325 46.350 45.100 -0.125 0.000 0.826 112 G HN 0.849 nan 8.290 nan 0.000 0.595 113 D N 1.166 121.542 120.400 -0.040 0.000 2.417 113 D HA 0.239 4.894 4.640 0.025 0.000 0.240 113 D C 1.948 178.319 176.300 0.118 0.000 1.062 113 D CA 0.920 54.974 54.000 0.090 0.000 0.959 113 D CB -0.273 40.578 40.800 0.085 0.000 0.877 113 D HN 0.314 nan 8.370 nan 0.000 0.528 114 A N -0.252 122.570 122.820 0.004 0.000 2.019 114 A HA -0.197 4.138 4.320 0.025 0.000 0.219 114 A C 1.692 179.284 177.584 0.013 0.000 1.164 114 A CA 0.783 52.841 52.037 0.034 0.000 0.644 114 A CB -0.978 18.049 19.000 0.044 0.000 0.805 114 A HN 0.298 nan 8.150 nan 0.000 0.449 115 Y N -0.864 119.211 120.300 -0.375 0.000 2.102 115 Y HA -0.253 4.312 4.550 0.024 0.000 0.280 115 Y C 1.916 177.686 175.900 -0.216 0.000 1.178 115 Y CA 1.860 59.721 58.100 -0.399 0.000 1.146 115 Y CB -0.860 37.300 38.460 -0.499 0.000 0.968 115 Y HN 0.391 nan 8.280 nan 0.000 0.504 116 F N -1.096 118.945 119.950 0.152 0.000 2.802 116 F HA -0.075 4.467 4.527 0.025 0.000 0.300 116 F C 2.164 178.032 175.800 0.112 0.000 1.168 116 F CA 0.866 58.951 58.000 0.143 0.000 1.433 116 F CB -0.378 38.700 39.000 0.130 0.000 1.115 116 F HN -0.115 nan 8.300 nan 0.000 0.582 117 S N -1.063 114.780 115.700 0.237 0.000 2.478 117 S HA 0.071 4.556 4.470 0.025 0.000 0.222 117 S C 0.731 175.431 174.600 0.166 0.000 1.008 117 S CA 0.097 58.410 58.200 0.189 0.000 0.928 117 S CB 0.025 63.329 63.200 0.174 0.000 0.781 117 S HN -0.058 nan 8.310 nan 0.000 0.518 118 V N 5.153 125.156 119.914 0.148 0.000 2.407 118 V HA 0.309 4.443 4.120 0.025 0.000 0.278 118 V C -2.161 173.992 176.094 0.098 0.000 1.037 118 V CA -2.295 60.075 62.300 0.116 0.000 0.900 118 V CB 1.109 32.993 31.823 0.102 0.000 0.983 118 V HN 0.144 nan 8.190 nan 0.000 0.459 119 P HA 0.171 nan 4.420 nan 0.000 0.272 119 P C -0.815 176.527 177.300 0.070 0.000 1.230 119 P CA -0.355 62.801 63.100 0.094 0.000 0.788 119 P CB 1.340 33.094 31.700 0.091 0.000 0.949 120 L N 1.675 122.940 121.223 0.071 0.000 2.334 120 L HA 0.406 4.761 4.340 0.025 0.000 0.275 120 L C -0.069 176.839 176.870 0.063 0.000 1.036 120 L CA -0.643 54.223 54.840 0.043 0.000 0.807 120 L CB 0.669 42.737 42.059 0.015 0.000 1.231 120 L HN 0.227 nan 8.230 nan 0.000 0.438 121 D N 2.583 123.022 120.400 0.066 0.000 2.536 121 D HA -0.077 4.578 4.640 0.025 0.000 0.260 121 D C 1.031 177.400 176.300 0.115 0.000 1.270 121 D CA 0.423 54.480 54.000 0.094 0.000 0.934 121 D CB 0.785 41.651 40.800 0.111 0.000 1.129 121 D HN 0.598 nan 8.370 nan 0.000 0.533 122 E N 2.735 122.987 120.200 0.087 0.000 2.396 122 E HA -0.243 4.122 4.350 0.025 0.000 0.200 122 E C 0.626 177.264 176.600 0.064 0.000 1.023 122 E CA 0.744 57.186 56.400 0.070 0.000 0.857 122 E CB 0.009 29.742 29.700 0.054 0.000 0.775 122 E HN 0.607 nan 8.360 nan 0.000 0.525 123 D N -0.583 119.877 120.400 0.101 0.000 2.305 123 D HA -0.004 4.651 4.640 0.025 0.000 0.206 123 D C 0.931 177.316 176.300 0.142 0.000 0.974 123 D CA 0.261 54.322 54.000 0.102 0.000 0.871 123 D CB -0.012 40.866 40.800 0.130 0.000 0.947 123 D HN 0.179 nan 8.370 nan 0.000 0.516 124 F N 1.416 121.388 119.950 0.035 0.000 2.656 124 F HA 0.172 4.714 4.527 0.025 0.000 0.291 124 F C 2.166 177.949 175.800 -0.029 0.000 1.122 124 F CA 0.091 58.160 58.000 0.115 0.000 1.427 124 F CB 0.162 39.211 39.000 0.081 0.000 1.125 124 F HN -0.276 nan 8.300 nan 0.000 0.583 125 R N 1.113 121.630 120.500 0.028 0.000 2.140 125 R HA -0.269 4.086 4.340 0.025 0.000 0.250 125 R C 2.188 178.405 176.300 -0.137 0.000 1.150 125 R CA 2.299 58.383 56.100 -0.026 0.000 0.966 125 R CB -0.605 29.711 30.300 0.027 0.000 0.869 125 R HN 0.401 nan 8.270 nan 0.000 0.445 126 K N -0.274 119.953 120.400 -0.289 0.000 2.113 126 K HA -0.202 4.133 4.320 0.025 0.000 0.208 126 K C 1.463 177.845 176.600 -0.363 0.000 1.047 126 K CA 1.850 57.944 56.287 -0.320 0.000 0.928 126 K CB -0.549 31.700 32.500 -0.418 0.000 0.716 126 K HN 0.212 nan 8.250 nan 0.000 0.446 127 Y N 2.483 122.514 120.300 -0.448 0.000 2.574 127 Y HA -0.083 4.482 4.550 0.025 0.000 0.294 127 Y C 2.071 177.829 175.900 -0.237 0.000 1.142 127 Y CA 1.218 58.967 58.100 -0.584 0.000 1.314 127 Y CB -0.596 37.229 38.460 -1.059 0.000 0.991 127 Y HN 0.347 nan 8.280 nan 0.000 0.555 128 T N -2.570 111.992 114.554 0.014 0.000 3.206 128 T HA 0.548 4.912 4.350 0.025 0.000 0.253 128 T C 0.668 175.641 174.700 0.454 0.000 1.042 128 T CA -0.119 62.153 62.100 0.286 0.000 0.931 128 T CB -0.584 68.426 68.868 0.236 0.000 1.029 128 T HN 0.194 nan 8.240 nan 0.000 0.564 129 A N 1.901 124.886 122.820 0.275 0.000 2.488 129 A HA 0.580 4.915 4.320 0.025 0.000 0.249 129 A C -0.094 177.656 177.584 0.277 0.000 1.083 129 A CA -0.606 51.550 52.037 0.198 0.000 0.768 129 A CB -0.458 18.607 19.000 0.109 0.000 1.017 129 A HN 0.762 nan 8.150 nan 0.000 0.496 130 F N -0.062 119.978 119.950 0.151 0.000 2.650 130 F HA 0.873 5.415 4.527 0.025 0.000 0.320 130 F C -0.290 175.551 175.800 0.068 0.000 1.091 130 F CA -0.861 57.193 58.000 0.089 0.000 0.962 130 F CB 1.385 40.429 39.000 0.074 0.000 1.363 130 F HN 0.329 nan 8.300 nan 0.000 0.482 131 T N 2.211 116.914 114.554 0.249 0.000 2.861 131 T HA 0.559 4.924 4.350 0.025 0.000 0.287 131 T C -0.642 174.168 174.700 0.183 0.000 1.003 131 T CA -0.440 61.720 62.100 0.099 0.000 0.977 131 T CB 1.623 70.507 68.868 0.026 0.000 0.996 131 T HN 0.576 nan 8.240 nan 0.000 0.448 132 I N 5.367 126.017 120.570 0.133 0.000 2.306 132 I HA 0.262 4.447 4.170 0.025 0.000 0.288 132 I C -1.821 174.323 176.117 0.044 0.000 1.036 132 I CA -2.365 59.010 61.300 0.125 0.000 1.221 132 I CB 1.213 39.314 38.000 0.169 0.000 1.385 132 I HN 0.330 nan 8.210 nan 0.000 0.472 133 P HA -0.056 nan 4.420 nan 0.000 0.269 133 P C -0.291 177.010 177.300 0.002 0.000 1.211 133 P CA -0.040 63.066 63.100 0.010 0.000 0.781 133 P CB 0.922 32.630 31.700 0.014 0.000 0.877 134 S N 0.600 116.297 115.700 -0.004 0.000 2.565 134 S HA 0.306 4.790 4.470 0.025 0.000 0.290 134 S C 1.633 176.232 174.600 -0.002 0.000 1.150 134 S CA -0.845 57.351 58.200 -0.006 0.000 1.058 134 S CB -0.208 62.985 63.200 -0.012 0.000 1.032 134 S HN 0.380 nan 8.310 nan 0.000 0.510 135 I N 2.741 123.310 120.570 -0.001 0.000 4.454 135 I HA -0.453 3.732 4.170 0.025 0.000 0.102 135 I C 2.274 178.394 176.117 0.005 0.000 0.675 135 I CA 2.442 63.743 61.300 0.002 0.000 0.697 135 I CB -0.884 37.118 38.000 0.003 0.000 0.581 135 I HN 0.833 nan 8.210 nan 0.000 0.219 136 N N 0.252 118.954 118.700 0.004 0.000 2.220 136 N HA -0.113 4.642 4.740 0.025 0.000 0.193 136 N C 1.026 176.537 175.510 0.001 0.000 1.052 136 N CA 1.974 55.026 53.050 0.005 0.000 0.898 136 N CB 0.030 38.518 38.487 0.002 0.000 1.080 136 N HN 0.465 nan 8.380 nan 0.000 0.467 137 N N -1.052 117.645 118.700 -0.005 0.000 2.194 137 N HA 0.106 4.861 4.740 0.025 0.000 0.233 137 N C -0.874 174.629 175.510 -0.013 0.000 1.392 137 N CA -0.155 52.888 53.050 -0.011 0.000 0.790 137 N CB 0.405 38.884 38.487 -0.015 0.000 1.291 137 N HN 0.315 nan 8.380 nan 0.000 0.518 138 E N -0.180 120.014 120.200 -0.010 0.000 4.390 138 E HA -0.056 4.309 4.350 0.025 0.000 0.579 138 E C 0.417 177.007 176.600 -0.016 0.000 0.443 138 E CA 1.194 57.587 56.400 -0.012 0.000 3.898 138 E CB -0.375 29.319 29.700 -0.010 0.000 2.141 138 E HN 0.452 nan 8.360 nan 0.000 0.302 139 T N 0.273 114.817 114.554 -0.017 0.000 2.663 139 T HA 0.093 4.458 4.350 0.025 0.000 0.325 139 T C -2.304 172.380 174.700 -0.027 0.000 1.059 139 T CA -1.277 60.809 62.100 -0.022 0.000 1.039 139 T CB -0.278 68.576 68.868 -0.023 0.000 0.996 139 T HN 0.006 nan 8.240 nan 0.000 0.539 140 P HA 0.353 nan 4.420 nan 0.000 0.271 140 P C 0.429 177.702 177.300 -0.045 0.000 1.218 140 P CA -0.159 62.916 63.100 -0.042 0.000 0.780 140 P CB 0.209 31.879 31.700 -0.050 0.000 0.901 141 G N 2.162 110.934 108.800 -0.046 0.000 2.580 141 G HA2 0.405 4.379 3.960 0.025 0.000 0.278 141 G HA3 0.405 4.379 3.960 0.025 0.000 0.278 141 G C -0.433 174.416 174.900 -0.084 0.000 1.212 141 G CA -0.507 44.565 45.100 -0.046 0.000 0.939 141 G HN 0.367 nan 8.290 nan 0.000 0.513 142 I N 0.248 120.763 120.570 -0.092 0.000 2.474 142 I HA 0.297 4.482 4.170 0.025 0.000 0.287 142 I C 0.646 176.587 176.117 -0.293 0.000 1.048 142 I CA -0.083 61.098 61.300 -0.198 0.000 1.383 142 I CB 0.880 38.781 38.000 -0.165 0.000 1.412 142 I HN 0.353 nan 8.210 nan 0.000 0.531 143 R N 5.609 125.844 120.500 -0.442 0.000 2.445 143 R HA 0.608 4.962 4.340 0.025 0.000 0.308 143 R C -1.324 174.549 176.300 -0.711 0.000 0.961 143 R CA -0.623 55.199 56.100 -0.464 0.000 0.862 143 R CB 1.959 32.090 30.300 -0.283 0.000 1.144 143 R HN 0.449 nan 8.270 nan 0.000 0.447 144 Y N 0.277 120.194 120.300 -0.639 0.000 2.633 144 Y HA 0.371 4.936 4.550 0.025 0.000 0.339 144 Y C -0.030 175.528 175.900 -0.571 0.000 1.045 144 Y CA -0.809 56.886 58.100 -0.676 0.000 1.098 144 Y CB 2.369 40.282 38.460 -0.911 0.000 1.296 144 Y HN 0.426 nan 8.280 nan 0.000 0.494 145 Q N 0.276 120.038 119.800 -0.062 0.000 2.377 145 Q HA 0.400 4.755 4.340 0.025 0.000 0.279 145 Q C -2.218 173.877 176.000 0.157 0.000 1.049 145 Q CA -0.798 55.054 55.803 0.082 0.000 0.825 145 Q CB 1.917 30.677 28.738 0.037 0.000 1.401 145 Q HN 0.729 nan 8.270 nan 0.000 0.404 146 Y N 1.940 122.359 120.300 0.199 0.000 2.299 146 Y HA 0.254 4.819 4.550 0.025 0.000 0.326 146 Y C 0.856 176.821 175.900 0.108 0.000 1.164 146 Y CA 0.141 58.357 58.100 0.194 0.000 1.234 146 Y CB 1.138 39.716 38.460 0.196 0.000 1.219 146 Y HN 0.680 nan 8.280 nan 0.000 0.497 147 N N 1.438 120.295 118.700 0.261 0.000 2.205 147 N HA 0.099 4.854 4.740 0.025 0.000 0.201 147 N C -0.737 174.886 175.510 0.189 0.000 1.128 147 N CA 0.394 53.549 53.050 0.174 0.000 0.867 147 N CB 0.932 39.494 38.487 0.125 0.000 0.996 147 N HN 0.381 nan 8.380 nan 0.000 0.503 148 V N -2.725 117.355 119.914 0.277 0.000 3.167 148 V HA 0.498 4.633 4.120 0.025 0.000 0.310 148 V C -0.275 175.883 176.094 0.106 0.000 1.207 148 V CA -1.238 61.189 62.300 0.211 0.000 1.059 148 V CB 1.557 33.554 31.823 0.291 0.000 1.079 148 V HN -0.286 nan 8.190 nan 0.000 0.446 149 L N 3.030 124.242 121.223 -0.019 0.000 2.654 149 L HA 0.355 4.710 4.340 0.025 0.000 0.271 149 L C -2.225 174.448 176.870 -0.329 0.000 1.169 149 L CA -0.899 53.852 54.840 -0.149 0.000 0.947 149 L CB -0.646 41.296 42.059 -0.196 0.000 1.232 149 L HN 0.576 nan 8.230 nan 0.000 0.486 150 P HA 0.093 nan 4.420 nan 0.000 0.275 150 P C -0.670 176.455 177.300 -0.291 0.000 1.227 150 P CA -0.502 62.186 63.100 -0.687 0.000 0.781 150 P CB 0.510 31.564 31.700 -1.076 0.000 0.906 151 Q N 1.742 121.408 119.800 -0.224 0.000 2.297 151 Q HA 0.301 4.656 4.340 0.025 0.000 0.267 151 Q C 1.378 177.482 176.000 0.174 0.000 1.006 151 Q CA 1.088 56.898 55.803 0.012 0.000 0.896 151 Q CB 0.454 29.190 28.738 -0.003 0.000 1.186 151 Q HN 0.902 nan 8.270 nan 0.000 0.392 152 G N 2.703 111.611 108.800 0.180 0.000 2.195 152 G HA2 -0.240 3.735 3.960 0.025 0.000 0.224 152 G HA3 -0.240 3.735 3.960 0.025 0.000 0.224 152 G C -0.458 174.582 174.900 0.234 0.000 0.990 152 G CA -0.105 45.130 45.100 0.225 0.000 0.639 152 G HN 0.594 nan 8.290 nan 0.000 0.514 153 W N 2.387 123.608 121.300 -0.132 0.000 2.315 153 W HA 0.627 5.302 4.660 0.025 0.000 0.316 153 W C 1.372 177.777 176.519 -0.190 0.000 1.211 153 W CA -0.414 56.750 57.345 -0.302 0.000 1.201 153 W CB 1.000 30.066 29.460 -0.657 0.000 1.184 153 W HN 0.147 nan 8.180 nan 0.000 0.544 154 K N 2.874 122.755 120.400 -0.866 0.000 2.097 154 K HA -0.228 4.107 4.320 0.025 0.000 0.214 154 K C 1.749 177.667 176.600 -1.135 0.000 1.052 154 K CA 2.359 58.161 56.287 -0.808 0.000 0.932 154 K CB -0.683 31.492 32.500 -0.543 0.000 0.716 154 K HN 0.754 nan 8.250 nan 0.000 0.455 155 G N -0.926 106.552 108.800 -2.203 0.000 2.880 155 G HA2 -0.057 3.917 3.960 0.025 0.000 0.209 155 G HA3 -0.057 3.917 3.960 0.025 0.000 0.209 155 G C 1.174 175.333 174.900 -1.235 0.000 1.157 155 G CA 0.337 44.104 45.100 -2.220 0.000 0.779 155 G HN 0.279 nan 8.290 nan 0.000 0.539 156 S N 1.790 117.025 115.700 -0.775 0.000 2.353 156 S HA -0.082 4.403 4.470 0.025 0.000 0.222 156 S C 0.356 174.565 174.600 -0.652 0.000 1.035 156 S CA 1.539 59.410 58.200 -0.548 0.000 1.025 156 S CB -0.729 62.199 63.200 -0.454 0.000 0.902 156 S HN 0.387 nan 8.310 nan 0.000 0.440 157 P HA -0.078 nan 4.420 nan 0.000 0.215 157 P C 1.307 178.480 177.300 -0.211 0.000 1.153 157 P CA 1.603 64.556 63.100 -0.244 0.000 0.853 157 P CB -0.120 31.527 31.700 -0.088 0.000 0.788 158 A N 0.185 122.803 122.820 -0.336 0.000 1.873 158 A HA -0.127 4.208 4.320 0.025 0.000 0.215 158 A C 2.423 179.860 177.584 -0.245 0.000 1.186 158 A CA 1.432 53.303 52.037 -0.277 0.000 0.616 158 A CB -1.525 17.265 19.000 -0.350 0.000 0.823 158 A HN 0.107 nan 8.150 nan 0.000 0.442 159 I N -1.624 118.747 120.570 -0.332 0.000 2.286 159 I HA -0.225 3.960 4.170 0.025 0.000 0.248 159 I C 2.404 178.429 176.117 -0.154 0.000 1.115 159 I CA 1.663 62.836 61.300 -0.213 0.000 1.392 159 I CB -0.371 37.510 38.000 -0.198 0.000 1.065 159 I HN 0.503 nan 8.210 nan 0.000 0.418 160 F N 1.676 121.432 119.950 -0.323 0.000 2.146 160 F HA -0.287 4.255 4.527 0.024 0.000 0.298 160 F C 2.627 178.319 175.800 -0.180 0.000 1.096 160 F CA 1.778 59.614 58.000 -0.273 0.000 1.275 160 F CB -0.166 38.589 39.000 -0.407 0.000 1.008 160 F HN -0.035 nan 8.300 nan 0.000 0.480 161 Q N 0.291 119.865 119.800 -0.377 0.000 2.020 161 Q HA -0.220 4.135 4.340 0.025 0.000 0.202 161 Q C 2.543 178.344 176.000 -0.333 0.000 0.982 161 Q CA 2.438 58.002 55.803 -0.398 0.000 0.838 161 Q CB -0.683 27.957 28.738 -0.163 0.000 0.899 161 Q HN 0.444 nan 8.270 nan 0.000 0.423 162 S N -0.888 114.684 115.700 -0.213 0.000 2.372 162 S HA -0.236 4.249 4.470 0.025 0.000 0.227 162 S C 2.019 176.496 174.600 -0.206 0.000 1.044 162 S CA 1.858 59.966 58.200 -0.153 0.000 1.050 162 S CB -0.551 62.591 63.200 -0.096 0.000 0.901 162 S HN 0.536 nan 8.310 nan 0.000 0.447 163 S N 1.070 116.619 115.700 -0.251 0.000 2.356 163 S HA -0.134 4.350 4.470 0.025 0.000 0.223 163 S C 1.853 176.239 174.600 -0.358 0.000 1.032 163 S CA 1.733 59.774 58.200 -0.265 0.000 1.005 163 S CB -0.532 62.542 63.200 -0.210 0.000 0.867 163 S HN 0.606 nan 8.310 nan 0.000 0.449 164 M N 2.134 121.433 119.600 -0.502 0.000 2.080 164 M HA -0.118 4.376 4.480 0.025 0.000 0.260 164 M C 1.978 178.082 176.300 -0.327 0.000 1.068 164 M CA 1.736 56.747 55.300 -0.482 0.000 1.109 164 M CB -1.457 30.751 32.600 -0.654 0.000 1.342 164 M HN 0.210 nan 8.290 nan 0.000 0.405 165 T N 0.542 114.934 114.554 -0.269 0.000 2.665 165 T HA -0.211 4.153 4.350 0.025 0.000 0.268 165 T C 1.869 176.474 174.700 -0.158 0.000 1.035 165 T CA 1.978 63.978 62.100 -0.167 0.000 1.151 165 T CB -0.264 68.532 68.868 -0.120 0.000 0.862 165 T HN 0.445 nan 8.240 nan 0.000 0.438 166 K N 0.384 120.666 120.400 -0.197 0.000 2.026 166 K HA 0.021 4.356 4.320 0.025 0.000 0.208 166 K C 2.246 178.686 176.600 -0.268 0.000 1.048 166 K CA 1.220 57.388 56.287 -0.198 0.000 0.929 166 K CB -0.329 32.042 32.500 -0.214 0.000 0.713 166 K HN 0.327 nan 8.250 nan 0.000 0.439 167 I N 1.164 121.477 120.570 -0.428 0.000 2.423 167 I HA -0.284 3.901 4.170 0.025 0.000 0.254 167 I C 1.846 177.810 176.117 -0.255 0.000 1.151 167 I CA 1.200 62.129 61.300 -0.619 0.000 1.421 167 I CB -0.207 37.325 38.000 -0.779 0.000 1.079 167 I HN 0.185 nan 8.210 nan 0.000 0.431 168 L N -0.075 121.066 121.223 -0.135 0.000 2.477 168 L HA -0.038 4.317 4.340 0.025 0.000 0.220 168 L C 2.422 179.360 176.870 0.114 0.000 1.106 168 L CA 0.344 55.202 54.840 0.031 0.000 0.851 168 L CB -0.463 41.593 42.059 -0.006 0.000 0.994 168 L HN 0.244 nan 8.230 nan 0.000 0.462 169 E N 1.448 121.671 120.200 0.039 0.000 2.114 169 E HA -0.245 4.120 4.350 0.025 0.000 0.199 169 E C -0.627 176.021 176.600 0.079 0.000 1.008 169 E CA 1.738 58.165 56.400 0.046 0.000 0.810 169 E CB -0.531 29.173 29.700 0.006 0.000 0.739 169 E HN 0.313 nan 8.360 nan 0.000 0.456 170 P HA -0.125 nan 4.420 nan 0.000 0.214 170 P C 1.104 178.458 177.300 0.089 0.000 1.162 170 P CA 1.051 64.216 63.100 0.108 0.000 0.879 170 P CB -0.230 31.570 31.700 0.167 0.000 0.786 171 F N 0.763 120.716 119.950 0.005 0.000 2.095 171 F HA -0.182 4.359 4.527 0.024 0.000 0.298 171 F C 2.277 178.076 175.800 -0.001 0.000 1.104 171 F CA 1.609 59.601 58.000 -0.013 0.000 1.232 171 F CB -0.435 38.606 39.000 0.067 0.000 0.987 171 F HN -0.295 nan 8.300 nan 0.000 0.475 172 R N -0.071 120.503 120.500 0.123 0.000 2.091 172 R HA -0.188 4.167 4.340 0.025 0.000 0.238 172 R C 2.190 178.450 176.300 -0.067 0.000 1.136 172 R CA 1.624 57.737 56.100 0.021 0.000 0.959 172 R CB -0.336 30.012 30.300 0.080 0.000 0.856 172 R HN 0.115 nan 8.270 nan 0.000 0.437 173 K N 0.889 121.264 120.400 -0.042 0.000 1.985 173 K HA -0.166 4.169 4.320 0.025 0.000 0.210 173 K C 2.092 178.632 176.600 -0.100 0.000 1.047 173 K CA 1.687 57.944 56.287 -0.051 0.000 0.932 173 K CB -0.134 32.352 32.500 -0.023 0.000 0.716 173 K HN 0.168 nan 8.250 nan 0.000 0.439 174 Q N 0.420 120.134 119.800 -0.144 0.000 2.112 174 Q HA -0.132 4.222 4.340 0.025 0.000 0.206 174 Q C -0.283 175.578 176.000 -0.232 0.000 0.987 174 Q CA 1.458 57.150 55.803 -0.185 0.000 0.858 174 Q CB -0.223 28.381 28.738 -0.224 0.000 0.905 174 Q HN 0.426 nan 8.270 nan 0.000 0.420 175 N N -0.339 118.155 118.700 -0.343 0.000 2.716 175 N HA 0.156 4.910 4.740 0.025 0.000 0.253 175 N C -2.585 172.804 175.510 -0.202 0.000 1.170 175 N CA -1.291 51.583 53.050 -0.292 0.000 0.807 175 N CB 1.360 39.600 38.487 -0.411 0.000 1.183 175 N HN 0.010 nan 8.380 nan 0.000 0.524 176 P HA -0.034 nan 4.420 nan 0.000 0.241 176 P C 0.154 177.434 177.300 -0.033 0.000 1.191 176 P CA 0.660 63.725 63.100 -0.057 0.000 0.771 176 P CB 0.298 31.972 31.700 -0.044 0.000 0.929 177 D N -0.470 119.906 120.400 -0.039 0.000 2.328 177 D HA 0.048 4.702 4.640 0.025 0.000 0.226 177 D C 0.607 176.914 176.300 0.010 0.000 1.066 177 D CA -0.058 53.934 54.000 -0.013 0.000 0.861 177 D CB -0.002 40.789 40.800 -0.015 0.000 0.912 177 D HN 0.260 nan 8.370 nan 0.000 0.521 178 I N 0.785 121.361 120.570 0.009 0.000 2.474 178 I HA 0.232 4.417 4.170 0.025 0.000 0.294 178 I C -0.574 175.587 176.117 0.074 0.000 1.005 178 I CA -1.147 60.189 61.300 0.059 0.000 1.113 178 I CB 2.659 40.703 38.000 0.073 0.000 1.289 178 I HN -0.301 nan 8.210 nan 0.000 0.436 179 V N 7.049 127.018 119.914 0.091 0.000 2.513 179 V HA 0.513 4.648 4.120 0.025 0.000 0.299 179 V C -0.159 176.003 176.094 0.114 0.000 1.035 179 V CA -0.501 61.849 62.300 0.083 0.000 0.889 179 V CB 1.951 33.804 31.823 0.050 0.000 0.988 179 V HN 0.447 nan 8.190 nan 0.000 0.440 180 I N 4.504 125.148 120.570 0.122 0.000 2.466 180 I HA 0.412 4.597 4.170 0.025 0.000 0.289 180 I C -1.218 175.014 176.117 0.191 0.000 1.026 180 I CA -0.570 60.811 61.300 0.136 0.000 1.078 180 I CB 1.898 39.968 38.000 0.117 0.000 1.249 180 I HN 0.655 nan 8.210 nan 0.000 0.429 181 Y N 6.091 126.415 120.300 0.040 0.000 2.331 181 Y HA 0.420 4.985 4.550 0.025 0.000 0.338 181 Y C -0.384 175.579 175.900 0.105 0.000 0.976 181 Y CA -0.831 57.299 58.100 0.051 0.000 1.137 181 Y CB 1.204 39.657 38.460 -0.011 0.000 1.172 181 Y HN 0.535 nan 8.280 nan 0.000 0.478 182 Q N 6.152 126.023 119.800 0.118 0.000 2.349 182 Q HA 0.161 4.515 4.340 0.025 0.000 0.254 182 Q C -1.872 173.985 176.000 -0.239 0.000 0.980 182 Q CA -0.406 55.347 55.803 -0.083 0.000 0.924 182 Q CB 1.266 29.999 28.738 -0.008 0.000 1.209 182 Q HN 0.628 nan 8.270 nan 0.000 0.445 183 Y N 4.415 124.489 120.300 -0.378 0.000 2.333 183 Y HA 0.313 4.878 4.550 0.025 0.000 0.324 183 Y C 0.027 175.934 175.900 0.012 0.000 1.033 183 Y CA -0.600 57.369 58.100 -0.218 0.000 1.224 183 Y CB 0.564 38.834 38.460 -0.315 0.000 1.120 183 Y HN 0.887 nan 8.280 nan 0.000 0.457 184 M N 1.961 121.424 119.600 -0.229 0.000 7.319 184 M HA -0.387 4.108 4.480 0.025 0.000 0.305 184 M C 0.105 176.513 176.300 0.181 0.000 0.480 184 M CA 2.519 57.796 55.300 -0.039 0.000 1.311 184 M CB -0.812 31.799 32.600 0.018 0.000 0.421 184 M HN 0.715 nan 8.290 nan 0.000 0.680 185 D N 0.946 121.422 120.400 0.127 0.000 2.328 185 D HA 0.189 4.844 4.640 0.025 0.000 0.226 185 D C -0.607 175.737 176.300 0.073 0.000 1.066 185 D CA 0.470 54.520 54.000 0.083 0.000 0.861 185 D CB -0.214 40.556 40.800 -0.050 0.000 0.912 185 D HN 0.308 nan 8.370 nan 0.000 0.521 186 D N 0.161 120.594 120.400 0.054 0.000 2.340 186 D HA 0.405 5.059 4.640 0.025 0.000 0.240 186 D C -0.081 176.076 176.300 -0.238 0.000 1.001 186 D CA -0.437 53.472 54.000 -0.152 0.000 0.888 186 D CB 2.403 43.028 40.800 -0.291 0.000 1.310 186 D HN -0.104 nan 8.370 nan 0.000 0.474 187 L N 2.023 123.015 121.223 -0.384 0.000 2.372 187 L HA 0.333 4.687 4.340 0.025 0.000 0.274 187 L C -1.202 175.381 176.870 -0.479 0.000 0.988 187 L CA -0.800 53.860 54.840 -0.300 0.000 0.833 187 L CB 1.218 43.172 42.059 -0.175 0.000 1.236 187 L HN 0.272 nan 8.230 nan 0.000 0.410 188 Y N 2.955 123.150 120.300 -0.174 0.000 2.353 188 Y HA 0.404 4.970 4.550 0.025 0.000 0.340 188 Y C 0.055 175.905 175.900 -0.085 0.000 0.972 188 Y CA -0.697 57.280 58.100 -0.204 0.000 1.157 188 Y CB 1.723 39.995 38.460 -0.312 0.000 1.157 188 Y HN 0.151 nan 8.280 nan 0.000 0.495 189 V N 3.838 123.784 119.914 0.052 0.000 2.357 189 V HA 0.723 4.858 4.120 0.025 0.000 0.284 189 V C 0.344 176.552 176.094 0.191 0.000 1.018 189 V CA -0.638 61.724 62.300 0.103 0.000 0.841 189 V CB 1.112 32.967 31.823 0.054 0.000 0.991 189 V HN 0.914 nan 8.190 nan 0.000 0.437 190 G N 2.901 111.805 108.800 0.174 0.000 2.498 190 G HA2 0.825 4.799 3.960 0.025 0.000 0.312 190 G HA3 0.825 4.799 3.960 0.025 0.000 0.312 190 G C -0.654 174.360 174.900 0.190 0.000 1.230 190 G CA -0.155 45.049 45.100 0.173 0.000 0.968 190 G HN 1.054 nan 8.290 nan 0.000 0.481 191 S N -0.850 114.942 115.700 0.154 0.000 2.611 191 S HA 0.391 4.876 4.470 0.025 0.000 0.270 191 S C -1.336 173.297 174.600 0.055 0.000 1.131 191 S CA -0.671 57.612 58.200 0.139 0.000 0.826 191 S CB 1.877 65.237 63.200 0.266 0.000 1.095 191 S HN 0.323 nan 8.310 nan 0.000 0.461 192 D N 1.084 121.512 120.400 0.046 0.000 2.424 192 D HA 0.338 4.993 4.640 0.025 0.000 0.220 192 D C 0.576 176.895 176.300 0.030 0.000 1.150 192 D CA -0.020 53.990 54.000 0.017 0.000 0.831 192 D CB 0.100 40.904 40.800 0.007 0.000 0.981 192 D HN 0.443 nan 8.370 nan 0.000 0.500 193 L N 0.419 121.683 121.223 0.069 0.000 2.470 193 L HA 0.111 4.466 4.340 0.025 0.000 0.243 193 L C 1.128 178.036 176.870 0.064 0.000 1.227 193 L CA -0.247 54.638 54.840 0.075 0.000 0.824 193 L CB 0.397 42.526 42.059 0.117 0.000 1.175 193 L HN -0.203 nan 8.230 nan 0.000 0.503 194 E N 0.800 121.038 120.200 0.063 0.000 2.331 194 E HA 0.069 4.434 4.350 0.025 0.000 0.272 194 E C 0.955 177.604 176.600 0.082 0.000 1.036 194 E CA -0.117 56.315 56.400 0.053 0.000 0.864 194 E CB 1.306 31.031 29.700 0.041 0.000 1.035 194 E HN 0.519 nan 8.360 nan 0.000 0.408 195 I N 0.672 121.279 120.570 0.061 0.000 2.181 195 I HA -0.281 3.903 4.170 0.025 0.000 0.247 195 I C 1.570 177.759 176.117 0.120 0.000 1.081 195 I CA 2.261 63.611 61.300 0.082 0.000 1.340 195 I CB -0.465 37.562 38.000 0.045 0.000 1.036 195 I HN 0.464 nan 8.210 nan 0.000 0.417 196 G N 0.252 109.102 108.800 0.084 0.000 2.408 196 G HA2 -0.174 3.800 3.960 0.025 0.000 0.217 196 G HA3 -0.174 3.800 3.960 0.025 0.000 0.217 196 G C 1.587 176.537 174.900 0.083 0.000 1.150 196 G CA 0.746 45.892 45.100 0.075 0.000 0.776 196 G HN 0.636 nan 8.290 nan 0.000 0.542 197 Q N -0.618 119.235 119.800 0.088 0.000 2.083 197 Q HA -0.073 4.281 4.340 0.025 0.000 0.198 197 Q C 2.223 178.285 176.000 0.104 0.000 0.969 197 Q CA 1.246 57.097 55.803 0.079 0.000 0.838 197 Q CB -0.283 28.495 28.738 0.068 0.000 0.900 197 Q HN 0.698 nan 8.270 nan 0.000 0.436 198 H N 1.549 120.648 119.070 0.049 0.000 2.265 198 H HA -0.127 4.444 4.556 0.025 0.000 0.295 198 H C 2.224 177.594 175.328 0.070 0.000 1.084 198 H CA 2.102 58.187 56.048 0.062 0.000 1.261 198 H CB 0.020 29.817 29.762 0.058 0.000 1.360 198 H HN -0.004 nan 8.280 nan 0.000 0.487 199 R N -0.188 120.400 120.500 0.147 0.000 2.117 199 R HA -0.146 4.208 4.340 0.025 0.000 0.243 199 R C 1.718 178.030 176.300 0.020 0.000 1.143 199 R CA 2.056 58.203 56.100 0.078 0.000 0.968 199 R CB -0.584 29.780 30.300 0.107 0.000 0.863 199 R HN 0.486 nan 8.270 nan 0.000 0.444 200 T N 1.079 115.652 114.554 0.032 0.000 2.857 200 T HA -0.019 4.346 4.350 0.025 0.000 0.266 200 T C 1.726 176.445 174.700 0.032 0.000 1.048 200 T CA 0.802 62.921 62.100 0.032 0.000 1.139 200 T CB 0.014 68.906 68.868 0.039 0.000 0.874 200 T HN 0.150 nan 8.240 nan 0.000 0.455 201 K N 0.984 121.395 120.400 0.018 0.000 2.097 201 K HA 0.096 4.431 4.320 0.025 0.000 0.205 201 K C 2.229 178.868 176.600 0.066 0.000 1.050 201 K CA 0.573 56.909 56.287 0.083 0.000 0.938 201 K CB -0.491 32.050 32.500 0.068 0.000 0.718 201 K HN 0.290 nan 8.250 nan 0.000 0.442 202 I N 1.261 121.781 120.570 -0.083 0.000 2.127 202 I HA -0.259 3.925 4.170 0.025 0.000 0.241 202 I C 2.348 178.434 176.117 -0.051 0.000 1.075 202 I CA 1.423 62.660 61.300 -0.105 0.000 1.334 202 I CB -1.024 36.904 38.000 -0.120 0.000 1.040 202 I HN 0.202 nan 8.210 nan 0.000 0.405 203 E N 1.148 121.341 120.200 -0.012 0.000 2.160 203 E HA -0.258 4.106 4.350 0.025 0.000 0.195 203 E C 2.112 178.728 176.600 0.026 0.000 0.991 203 E CA 1.575 57.980 56.400 0.009 0.000 0.810 203 E CB -0.207 29.507 29.700 0.022 0.000 0.742 203 E HN 0.493 nan 8.360 nan 0.000 0.466 204 E N -0.138 120.098 120.200 0.060 0.000 2.047 204 E HA -0.156 4.209 4.350 0.025 0.000 0.191 204 E C 2.161 178.812 176.600 0.084 0.000 0.987 204 E CA 0.957 57.424 56.400 0.112 0.000 0.799 204 E CB -0.227 29.591 29.700 0.198 0.000 0.752 204 E HN 0.407 nan 8.360 nan 0.000 0.449 205 L N 0.924 122.109 121.223 -0.063 0.000 1.994 205 L HA -0.192 4.163 4.340 0.025 0.000 0.208 205 L C 2.891 179.658 176.870 -0.172 0.000 1.071 205 L CA 1.488 56.068 54.840 -0.433 0.000 0.745 205 L CB -0.381 41.141 42.059 -0.896 0.000 0.892 205 L HN 0.180 nan 8.230 nan 0.000 0.431 206 R N -0.368 120.063 120.500 -0.116 0.000 2.103 206 R HA -0.287 4.067 4.340 0.025 0.000 0.242 206 R C 2.309 178.607 176.300 -0.003 0.000 1.142 206 R CA 2.297 58.362 56.100 -0.057 0.000 0.960 206 R CB -0.250 30.030 30.300 -0.033 0.000 0.858 206 R HN 0.488 nan 8.270 nan 0.000 0.439 207 Q N -0.982 118.835 119.800 0.027 0.000 2.119 207 Q HA -0.215 4.140 4.340 0.025 0.000 0.201 207 Q C 2.026 178.098 176.000 0.119 0.000 0.972 207 Q CA 1.694 57.534 55.803 0.061 0.000 0.847 207 Q CB -0.109 28.668 28.738 0.065 0.000 0.903 207 Q HN 0.568 nan 8.270 nan 0.000 0.433 208 H N -0.313 118.772 119.070 0.025 0.000 2.389 208 H HA -0.091 4.480 4.556 0.024 0.000 0.299 208 H C 1.850 177.291 175.328 0.188 0.000 1.081 208 H CA 1.132 57.239 56.048 0.097 0.000 1.345 208 H CB 0.163 29.980 29.762 0.091 0.000 1.393 208 H HN 0.261 nan 8.280 nan 0.000 0.520 209 L N 0.223 121.444 121.223 -0.004 0.000 2.141 209 L HA -0.165 4.190 4.340 0.025 0.000 0.209 209 L C 2.672 179.583 176.870 0.068 0.000 1.094 209 L CA 0.273 55.101 54.840 -0.021 0.000 0.763 209 L CB -0.288 41.739 42.059 -0.054 0.000 0.908 209 L HN 0.240 nan 8.230 nan 0.000 0.437 210 L N 0.348 121.600 121.223 0.047 0.000 2.012 210 L HA -0.240 4.115 4.340 0.025 0.000 0.210 210 L C 2.838 179.724 176.870 0.027 0.000 1.073 210 L CA 1.680 56.544 54.840 0.040 0.000 0.748 210 L CB -0.560 41.516 42.059 0.028 0.000 0.891 210 L HN 0.167 nan 8.230 nan 0.000 0.431 211 R N -1.269 119.230 120.500 -0.002 0.000 2.139 211 R HA -0.234 4.121 4.340 0.025 0.000 0.243 211 R C 0.840 177.005 176.300 -0.225 0.000 1.145 211 R CA 1.926 57.944 56.100 -0.137 0.000 0.976 211 R CB -0.448 29.735 30.300 -0.196 0.000 0.866 211 R HN 0.476 nan 8.270 nan 0.000 0.449 212 W N 0.354 121.608 121.300 -0.075 0.000 3.213 212 W HA 0.351 5.026 4.660 0.025 0.000 0.430 212 W C 0.966 177.469 176.519 -0.026 0.000 0.975 212 W CA 0.232 57.540 57.345 -0.063 0.000 2.015 212 W CB 0.308 29.697 29.460 -0.118 0.000 1.047 212 W HN 0.313 nan 8.180 nan 0.000 0.797 213 G N 0.871 109.756 108.800 0.141 0.000 2.187 213 G HA2 -0.331 3.644 3.960 0.025 0.000 0.261 213 G HA3 -0.331 3.644 3.960 0.025 0.000 0.261 213 G C -0.003 174.970 174.900 0.121 0.000 1.000 213 G CA -0.041 45.128 45.100 0.115 0.000 0.718 213 G HN 0.315 nan 8.290 nan 0.000 0.519 214 L N 2.297 123.594 121.223 0.123 0.000 2.360 214 L HA 0.266 4.621 4.340 0.025 0.000 0.265 214 L C 0.902 177.812 176.870 0.066 0.000 1.066 214 L CA -0.709 54.194 54.840 0.104 0.000 0.929 214 L CB 0.521 42.640 42.059 0.100 0.000 1.306 214 L HN 0.125 nan 8.230 nan 0.000 0.434 215 T N 0.068 114.655 114.554 0.055 0.000 2.856 215 T HA -0.053 4.312 4.350 0.025 0.000 0.329 215 T C 0.565 175.275 174.700 0.018 0.000 1.094 215 T CA 0.184 62.303 62.100 0.031 0.000 1.112 215 T CB 0.866 69.748 68.868 0.022 0.000 1.009 215 T HN 0.485 nan 8.240 nan 0.000 0.550 216 T N 2.987 117.548 114.554 0.012 0.000 2.799 216 T HA 0.422 4.787 4.350 0.025 0.000 0.286 216 T C -1.937 172.767 174.700 0.008 0.000 0.973 216 T CA -1.914 60.191 62.100 0.008 0.000 1.035 216 T CB 0.329 69.204 68.868 0.012 0.000 0.932 216 T HN 0.461 nan 8.240 nan 0.000 0.469 217 P HA 0.229 nan 4.420 nan 0.000 0.272 217 P C -0.255 177.087 177.300 0.071 0.000 1.254 217 P CA -0.402 62.712 63.100 0.024 0.000 0.795 217 P CB 0.649 32.374 31.700 0.041 0.000 1.022 218 D N -0.479 120.010 120.400 0.149 0.000 2.478 218 D HA 0.106 4.760 4.640 0.025 0.000 0.269 218 D C 0.991 177.356 176.300 0.109 0.000 1.232 218 D CA -0.374 53.715 54.000 0.149 0.000 1.059 218 D CB 0.958 41.907 40.800 0.248 0.000 1.104 218 D HN 0.219 nan 8.370 nan 0.000 0.566 219 K N -0.197 120.242 120.400 0.065 0.000 2.361 219 K HA 0.041 4.376 4.320 0.025 0.000 0.196 219 K C 1.742 178.350 176.600 0.014 0.000 1.039 219 K CA 0.426 56.738 56.287 0.041 0.000 1.001 219 K CB 0.530 33.046 32.500 0.027 0.000 0.795 219 K HN 0.207 nan 8.250 nan 0.000 0.495 220 K N 0.002 120.387 120.400 -0.025 0.000 2.076 220 K HA -0.017 4.318 4.320 0.025 0.000 0.204 220 K C 1.496 177.995 176.600 -0.168 0.000 1.051 220 K CA 0.803 57.012 56.287 -0.129 0.000 0.949 220 K CB 0.028 32.387 32.500 -0.235 0.000 0.726 220 K HN 0.229 nan 8.250 nan 0.000 0.443 221 H N 0.506 119.588 119.070 0.020 0.000 2.547 221 H HA 0.020 4.591 4.556 0.024 0.000 0.266 221 H C 0.381 175.728 175.328 0.032 0.000 0.988 221 H CA 0.410 56.472 56.048 0.023 0.000 1.147 221 H CB 0.201 29.973 29.762 0.016 0.000 1.365 221 H HN 0.092 nan 8.280 nan 0.000 0.589 222 Q N 2.325 122.191 119.800 0.111 0.000 2.323 222 Q HA 0.122 4.477 4.340 0.025 0.000 0.257 222 Q C -0.453 175.604 176.000 0.094 0.000 1.022 222 Q CA -0.040 55.821 55.803 0.096 0.000 0.919 222 Q CB 0.245 29.028 28.738 0.076 0.000 1.220 222 Q HN 0.173 nan 8.270 nan 0.000 0.427 223 K N 2.852 123.330 120.400 0.130 0.000 2.126 223 K HA 0.379 4.713 4.320 0.025 0.000 0.257 223 K C -0.240 176.477 176.600 0.195 0.000 1.007 223 K CA -0.565 55.821 56.287 0.164 0.000 0.928 223 K CB 0.891 33.532 32.500 0.234 0.000 1.013 223 K HN 0.573 nan 8.250 nan 0.000 0.473 224 E N 0.820 121.078 120.200 0.096 0.000 2.429 224 E HA 0.326 4.691 4.350 0.025 0.000 0.276 224 E C -2.670 173.642 176.600 -0.480 0.000 0.953 224 E CA -2.193 54.165 56.400 -0.070 0.000 0.787 224 E CB 1.373 31.040 29.700 -0.055 0.000 1.307 224 E HN 0.298 nan 8.360 nan 0.000 0.458 225 P HA 0.129 nan 4.420 nan 0.000 0.269 225 P C -2.090 174.928 177.300 -0.470 0.000 1.209 225 P CA -0.675 61.846 63.100 -0.966 0.000 0.776 225 P CB -0.269 31.041 31.700 -0.650 0.000 0.876 226 P HA 0.204 nan 4.420 nan 0.000 0.274 226 P C -1.081 176.016 177.300 -0.339 0.000 1.246 226 P CA -0.000 62.854 63.100 -0.409 0.000 0.795 226 P CB 0.473 31.904 31.700 -0.449 0.000 1.006 227 F N -0.201 119.832 119.950 0.138 0.000 2.415 227 F HA 0.347 4.888 4.527 0.024 0.000 0.348 227 F C 0.622 176.555 175.800 0.222 0.000 1.119 227 F CA -0.729 57.371 58.000 0.167 0.000 1.069 227 F CB 0.946 40.028 39.000 0.137 0.000 1.124 227 F HN -0.015 nan 8.300 nan 0.000 0.472 228 L N 3.451 124.908 121.223 0.390 0.000 2.261 228 L HA 0.236 4.591 4.340 0.025 0.000 0.289 228 L C -1.130 175.971 176.870 0.386 0.000 1.059 228 L CA -0.269 54.768 54.840 0.328 0.000 0.816 228 L CB 0.524 42.716 42.059 0.222 0.000 1.191 228 L HN 0.672 nan 8.230 nan 0.000 0.431 229 W N 6.081 127.469 121.300 0.146 0.000 2.900 229 W HA 0.416 5.091 4.660 0.024 0.000 0.336 229 W C 0.139 176.726 176.519 0.113 0.000 1.064 229 W CA -1.242 56.123 57.345 0.033 0.000 1.237 229 W CB 1.222 30.614 29.460 -0.113 0.000 1.391 229 W HN 0.467 nan 8.180 nan 0.000 0.468 230 M N 5.881 125.204 119.600 -0.462 0.000 2.322 230 M HA -0.281 4.214 4.480 0.025 0.000 0.197 230 M C 1.266 177.418 176.300 -0.247 0.000 0.385 230 M CA 1.951 56.979 55.300 -0.453 0.000 0.418 230 M CB -1.762 30.325 32.600 -0.856 0.000 1.388 230 M HN 1.239 nan 8.290 nan 0.000 0.887 231 G N -2.121 106.605 108.800 -0.124 0.000 2.176 231 G HA2 -0.260 3.715 3.960 0.025 0.000 0.232 231 G HA3 -0.260 3.715 3.960 0.025 0.000 0.232 231 G C -0.268 174.547 174.900 -0.141 0.000 0.986 231 G CA 0.148 45.146 45.100 -0.171 0.000 0.643 231 G HN 0.568 nan 8.290 nan 0.000 0.522 232 Y N 0.103 120.478 120.300 0.125 0.000 2.631 232 Y HA 0.719 5.283 4.550 0.024 0.000 0.328 232 Y C 0.647 176.726 175.900 0.297 0.000 1.118 232 Y CA -1.115 57.133 58.100 0.246 0.000 1.206 232 Y CB 1.124 39.734 38.460 0.251 0.000 1.337 232 Y HN 0.047 nan 8.280 nan 0.000 0.515 233 E N 1.772 122.305 120.200 0.556 0.000 2.235 233 E HA 0.366 4.731 4.350 0.025 0.000 0.252 233 E C -1.561 175.415 176.600 0.628 0.000 0.886 233 E CA -0.339 56.369 56.400 0.514 0.000 0.767 233 E CB 1.164 31.166 29.700 0.504 0.000 1.205 233 E HN 0.404 nan 8.360 nan 0.000 0.421 234 L N 4.403 125.991 121.223 0.608 0.000 2.257 234 L HA 0.404 4.759 4.340 0.025 0.000 0.290 234 L C 0.252 177.520 176.870 0.662 0.000 1.044 234 L CA -0.352 54.875 54.840 0.645 0.000 0.810 234 L CB 0.262 42.642 42.059 0.534 0.000 1.193 234 L HN 0.465 nan 8.230 nan 0.000 0.425 235 H N 3.122 122.413 119.070 0.368 0.000 2.595 235 H HA 0.224 4.795 4.556 0.025 0.000 0.346 235 H C -1.676 173.861 175.328 0.348 0.000 1.181 235 H CA -2.158 54.042 56.048 0.254 0.000 1.242 235 H CB 1.859 31.722 29.762 0.169 0.000 1.652 235 H HN 0.314 nan 8.280 nan 0.000 0.548 236 P HA -0.219 nan 4.420 nan 0.000 0.216 236 P C 0.348 177.851 177.300 0.338 0.000 1.154 236 P CA 1.879 65.137 63.100 0.263 0.000 0.865 236 P CB 0.155 31.946 31.700 0.152 0.000 0.789 237 D N -2.841 117.766 120.400 0.345 0.000 2.441 237 D HA 0.089 4.744 4.640 0.025 0.000 0.210 237 D C 0.445 176.917 176.300 0.288 0.000 1.102 237 D CA -0.100 54.086 54.000 0.309 0.000 0.840 237 D CB 0.011 40.919 40.800 0.180 0.000 0.990 237 D HN 0.262 nan 8.370 nan 0.000 0.505 238 K N -0.830 119.720 120.400 0.249 0.000 2.642 238 K HA 0.367 4.701 4.320 0.025 0.000 0.290 238 K C -1.499 175.059 176.600 -0.070 0.000 1.006 238 K CA -1.212 55.043 56.287 -0.053 0.000 0.869 238 K CB 1.046 33.528 32.500 -0.031 0.000 1.499 238 K HN 0.110 nan 8.250 nan 0.000 0.403 239 W N 0.627 121.719 121.300 -0.346 0.000 2.719 239 W HA 0.719 5.394 4.660 0.025 0.000 0.352 239 W C -1.081 175.369 176.519 -0.115 0.000 1.085 239 W CA -0.700 56.533 57.345 -0.186 0.000 1.187 239 W CB 1.056 30.408 29.460 -0.180 0.000 1.417 239 W HN 0.911 nan 8.180 nan 0.000 0.557 240 T N -1.703 112.923 114.554 0.120 0.000 2.812 240 T HA 0.602 4.966 4.350 0.025 0.000 0.294 240 T C -1.189 173.688 174.700 0.295 0.000 1.159 240 T CA -0.711 61.385 62.100 -0.008 0.000 1.008 240 T CB 1.552 70.367 68.868 -0.089 0.000 1.289 240 T HN 0.429 nan 8.240 nan 0.000 0.514 241 V N 1.877 121.901 119.914 0.185 0.000 2.439 241 V HA 0.368 4.502 4.120 0.025 0.000 0.282 241 V C 0.623 176.842 176.094 0.209 0.000 1.039 241 V CA -0.917 61.536 62.300 0.255 0.000 0.913 241 V CB 1.063 33.018 31.823 0.220 0.000 0.983 241 V HN 0.929 nan 8.190 nan 0.000 0.460 242 Q N 5.086 124.997 119.800 0.185 0.000 2.386 242 Q HA 0.118 4.473 4.340 0.025 0.000 0.282 242 Q C -2.033 174.045 176.000 0.130 0.000 1.050 242 Q CA -1.069 54.820 55.803 0.143 0.000 0.918 242 Q CB 0.201 28.993 28.738 0.090 0.000 1.266 242 Q HN 0.545 nan 8.270 nan 0.000 0.423 243 P HA -0.080 nan 4.420 nan 0.000 0.261 243 P C -0.851 176.488 177.300 0.064 0.000 1.183 243 P CA 0.727 63.879 63.100 0.086 0.000 0.761 243 P CB 0.346 32.082 31.700 0.060 0.000 0.785 244 I N 4.997 125.608 120.570 0.068 0.000 2.307 244 I HA 0.183 4.368 4.170 0.025 0.000 0.289 244 I C -0.037 176.081 176.117 0.002 0.000 1.021 244 I CA -1.039 60.286 61.300 0.040 0.000 1.224 244 I CB 1.109 39.166 38.000 0.095 0.000 1.376 244 I HN 0.121 nan 8.210 nan 0.000 0.470 245 V N 6.304 126.215 119.914 -0.004 0.000 2.532 245 V HA 0.584 4.718 4.120 0.025 0.000 0.295 245 V C -0.599 175.499 176.094 0.007 0.000 1.041 245 V CA -0.635 61.663 62.300 -0.003 0.000 0.926 245 V CB 1.587 33.408 31.823 -0.004 0.000 0.992 245 V HN 0.601 nan 8.190 nan 0.000 0.457 246 L N 5.810 127.047 121.223 0.023 0.000 2.333 246 L HA 0.542 4.896 4.340 0.025 0.000 0.280 246 L C -2.141 174.785 176.870 0.095 0.000 1.004 246 L CA -1.761 53.120 54.840 0.069 0.000 0.820 246 L CB 2.304 44.406 42.059 0.072 0.000 1.247 246 L HN 0.562 nan 8.230 nan 0.000 0.416 247 P HA 0.059 nan 4.420 nan 0.000 0.265 247 P C -0.865 176.485 177.300 0.082 0.000 1.222 247 P CA -0.027 63.089 63.100 0.027 0.000 0.767 247 P CB 0.580 32.230 31.700 -0.083 0.000 0.801 248 E N 3.544 123.766 120.200 0.036 0.000 2.200 248 E HA 0.329 4.694 4.350 0.025 0.000 0.283 248 E C -0.197 176.376 176.600 -0.045 0.000 1.015 248 E CA -0.423 56.033 56.400 0.093 0.000 0.819 248 E CB 1.187 30.926 29.700 0.065 0.000 1.081 248 E HN 0.406 nan 8.360 nan 0.000 0.397 249 K N 1.585 121.971 120.400 -0.024 0.000 2.522 249 K HA 0.258 4.593 4.320 0.025 0.000 0.275 249 K C -1.071 175.529 176.600 -0.001 0.000 1.006 249 K CA -0.691 55.468 56.287 -0.214 0.000 0.890 249 K CB 1.456 33.513 32.500 -0.737 0.000 1.475 249 K HN 0.200 nan 8.250 nan 0.000 0.441 250 D N -0.060 120.306 120.400 -0.057 0.000 2.538 250 D HA 0.148 4.802 4.640 0.025 0.000 0.231 250 D C -1.152 175.167 176.300 0.032 0.000 1.229 250 D CA 0.136 54.163 54.000 0.046 0.000 0.828 250 D CB 1.054 41.867 40.800 0.020 0.000 1.035 250 D HN 0.213 nan 8.370 nan 0.000 0.495 251 S N 0.229 115.884 115.700 -0.074 0.000 2.616 251 S HA 0.425 4.909 4.470 0.025 0.000 0.276 251 S C -2.152 172.331 174.600 -0.195 0.000 1.159 251 S CA -0.678 57.495 58.200 -0.046 0.000 1.000 251 S CB 0.113 63.269 63.200 -0.075 0.000 1.117 251 S HN 0.123 nan 8.310 nan 0.000 0.464 252 W N 3.296 124.591 121.300 -0.008 0.000 2.538 252 W HA 0.492 5.168 4.660 0.026 0.000 0.322 252 W C 0.572 177.087 176.519 -0.007 0.000 1.028 252 W CA -0.546 56.794 57.345 -0.009 0.000 1.228 252 W CB 1.674 31.129 29.460 -0.009 0.000 1.356 252 W HN 0.656 nan 8.180 nan 0.000 0.452 253 T N -1.421 113.237 114.554 0.174 0.000 2.918 253 T HA 0.268 4.633 4.350 0.025 0.000 0.283 253 T C 0.962 175.738 174.700 0.126 0.000 1.001 253 T CA -0.695 61.471 62.100 0.111 0.000 1.041 253 T CB 1.440 70.337 68.868 0.048 0.000 1.028 253 T HN 0.218 nan 8.240 nan 0.000 0.511 254 V N 2.098 122.061 119.914 0.083 0.000 2.277 254 V HA -0.280 3.855 4.120 0.025 0.000 0.253 254 V C 2.795 178.933 176.094 0.072 0.000 1.067 254 V CA 2.601 64.941 62.300 0.067 0.000 1.047 254 V CB -1.219 30.630 31.823 0.043 0.000 0.649 254 V HN 1.012 nan 8.190 nan 0.000 0.447 255 N N -0.663 118.074 118.700 0.062 0.000 2.104 255 N HA -0.204 4.551 4.740 0.025 0.000 0.190 255 N C 1.563 177.123 175.510 0.083 0.000 1.024 255 N CA 1.337 54.420 53.050 0.055 0.000 0.853 255 N CB -0.065 38.442 38.487 0.034 0.000 1.008 255 N HN 0.529 nan 8.380 nan 0.000 0.424 256 D N 0.859 121.331 120.400 0.120 0.000 2.104 256 D HA -0.139 4.516 4.640 0.025 0.000 0.194 256 D C 1.962 178.438 176.300 0.294 0.000 0.994 256 D CA 0.938 55.060 54.000 0.203 0.000 0.830 256 D CB -0.251 40.697 40.800 0.247 0.000 0.959 256 D HN 0.389 nan 8.370 nan 0.000 0.452 257 I N 0.907 121.627 120.570 0.250 0.000 2.361 257 I HA -0.251 3.934 4.170 0.025 0.000 0.251 257 I C 2.465 178.621 176.117 0.065 0.000 1.133 257 I CA 0.945 62.317 61.300 0.119 0.000 1.413 257 I CB -0.257 37.768 38.000 0.043 0.000 1.073 257 I HN -0.002 nan 8.210 nan 0.000 0.424 258 Q N 0.797 120.638 119.800 0.068 0.000 2.079 258 Q HA -0.161 4.194 4.340 0.025 0.000 0.200 258 Q C 2.228 178.258 176.000 0.050 0.000 0.974 258 Q CA 1.116 56.947 55.803 0.046 0.000 0.840 258 Q CB -0.064 28.698 28.738 0.040 0.000 0.898 258 Q HN 0.469 nan 8.270 nan 0.000 0.430 259 K N 0.576 121.014 120.400 0.064 0.000 2.057 259 K HA -0.168 4.167 4.320 0.025 0.000 0.207 259 K C 2.161 178.798 176.600 0.062 0.000 1.049 259 K CA 0.837 57.156 56.287 0.053 0.000 0.931 259 K CB -0.306 32.225 32.500 0.052 0.000 0.714 259 K HN 0.094 nan 8.250 nan 0.000 0.440 260 L N 1.479 122.760 121.223 0.097 0.000 1.955 260 L HA -0.200 4.154 4.340 0.025 0.000 0.213 260 L C 2.206 179.101 176.870 0.041 0.000 1.072 260 L CA 1.577 56.469 54.840 0.088 0.000 0.755 260 L CB -0.705 41.405 42.059 0.085 0.000 0.888 260 L HN -0.114 nan 8.230 nan 0.000 0.432 261 V N 0.443 120.370 119.914 0.022 0.000 2.370 261 V HA -0.320 3.815 4.120 0.025 0.000 0.252 261 V C 2.577 178.700 176.094 0.047 0.000 1.068 261 V CA 1.921 64.231 62.300 0.018 0.000 1.061 261 V CB -1.736 30.093 31.823 0.010 0.000 0.656 261 V HN 0.714 nan 8.190 nan 0.000 0.455 262 G N -0.855 107.976 108.800 0.052 0.000 2.453 262 G HA2 -0.279 3.695 3.960 0.025 0.000 0.215 262 G HA3 -0.279 3.695 3.960 0.025 0.000 0.215 262 G C 1.662 176.623 174.900 0.101 0.000 1.201 262 G CA 0.961 46.102 45.100 0.068 0.000 0.784 262 G HN 0.441 nan 8.290 nan 0.000 0.545 263 K N -0.308 120.133 120.400 0.068 0.000 2.103 263 K HA 0.052 4.387 4.320 0.025 0.000 0.207 263 K C 2.568 179.271 176.600 0.172 0.000 1.048 263 K CA 0.770 57.108 56.287 0.084 0.000 0.930 263 K CB -0.229 32.284 32.500 0.023 0.000 0.716 263 K HN 0.290 nan 8.250 nan 0.000 0.444 264 L N 0.694 121.984 121.223 0.111 0.000 2.109 264 L HA -0.154 4.201 4.340 0.025 0.000 0.207 264 L C 2.353 179.291 176.870 0.113 0.000 1.086 264 L CA 0.752 55.647 54.840 0.092 0.000 0.760 264 L CB -0.471 41.606 42.059 0.030 0.000 0.910 264 L HN 0.309 nan 8.230 nan 0.000 0.437 265 N N -0.169 118.604 118.700 0.121 0.000 2.188 265 N HA -0.239 4.516 4.740 0.025 0.000 0.184 265 N C 1.856 177.455 175.510 0.148 0.000 1.018 265 N CA 1.195 54.310 53.050 0.109 0.000 0.858 265 N CB -0.055 38.492 38.487 0.100 0.000 0.989 265 N HN 0.371 nan 8.380 nan 0.000 0.426 266 W N 1.873 123.188 121.300 0.024 0.000 2.355 266 W HA -0.034 4.642 4.660 0.027 0.000 0.309 266 W C 2.410 178.958 176.519 0.049 0.000 1.206 266 W CA 2.385 59.749 57.345 0.031 0.000 1.284 266 W CB -0.554 28.919 29.460 0.021 0.000 1.145 266 W HN 0.117 nan 8.180 nan 0.000 0.502 267 A N -0.024 122.970 122.820 0.291 0.000 2.067 267 A HA -0.166 4.168 4.320 0.025 0.000 0.219 267 A C 1.986 179.625 177.584 0.090 0.000 1.158 267 A CA 1.989 54.146 52.037 0.200 0.000 0.661 267 A CB -1.419 17.740 19.000 0.265 0.000 0.801 267 A HN 0.383 nan 8.150 nan 0.000 0.452 268 S N -0.912 114.808 115.700 0.033 0.000 2.500 268 S HA -0.208 4.277 4.470 0.025 0.000 0.239 268 S C 1.769 176.321 174.600 -0.080 0.000 0.989 268 S CA 1.422 59.622 58.200 -0.001 0.000 0.951 268 S CB -0.231 62.966 63.200 -0.006 0.000 0.759 268 S HN 0.544 nan 8.310 nan 0.000 0.523 269 Q N 1.491 121.194 119.800 -0.162 0.000 1.969 269 Q HA 0.227 4.582 4.340 0.025 0.000 0.198 269 Q C 2.058 177.905 176.000 -0.254 0.000 0.978 269 Q CA 1.866 57.516 55.803 -0.254 0.000 0.830 269 Q CB -0.383 28.147 28.738 -0.346 0.000 0.896 269 Q HN 0.710 nan 8.270 nan 0.000 0.431 270 I N -1.170 119.251 120.570 -0.249 0.000 2.716 270 I HA -0.085 4.100 4.170 0.025 0.000 0.259 270 I C -0.103 175.753 176.117 -0.435 0.000 1.172 270 I CA 0.259 61.367 61.300 -0.320 0.000 1.478 270 I CB 0.137 37.933 38.000 -0.341 0.000 1.104 270 I HN 0.064 nan 8.210 nan 0.000 0.439 271 Y N 2.837 123.065 120.300 -0.120 0.000 2.331 271 Y HA 0.322 4.886 4.550 0.023 0.000 0.338 271 Y C -2.122 173.722 175.900 -0.093 0.000 0.976 271 Y CA -3.036 55.010 58.100 -0.089 0.000 1.137 271 Y CB 0.756 39.185 38.460 -0.052 0.000 1.172 271 Y HN -0.117 nan 8.280 nan 0.000 0.478 272 P HA 0.224 nan 4.420 nan 0.000 0.277 272 P C 0.592 177.900 177.300 0.014 0.000 1.354 272 P CA 0.496 63.588 63.100 -0.014 0.000 0.891 272 P CB 0.735 32.403 31.700 -0.054 0.000 1.058 273 G N 3.803 112.606 108.800 0.005 0.000 2.421 273 G HA2 -0.163 3.812 3.960 0.025 0.000 0.188 273 G HA3 -0.163 3.812 3.960 0.025 0.000 0.188 273 G C 0.122 175.019 174.900 -0.005 0.000 1.001 273 G CA -0.572 44.526 45.100 -0.003 0.000 0.693 273 G HN 0.395 nan 8.290 nan 0.000 0.479 274 I N 1.608 122.183 120.570 0.009 0.000 2.821 274 I HA 0.216 4.401 4.170 0.025 0.000 0.294 274 I C 0.523 176.633 176.117 -0.013 0.000 1.210 274 I CA 0.996 62.293 61.300 -0.005 0.000 1.430 274 I CB 0.505 38.513 38.000 0.013 0.000 1.356 274 I HN 0.147 nan 8.210 nan 0.000 0.563 275 K N 4.352 124.738 120.400 -0.024 0.000 2.371 275 K HA 0.501 4.836 4.320 0.025 0.000 0.251 275 K C 0.261 176.842 176.600 -0.032 0.000 0.934 275 K CA -0.522 55.749 56.287 -0.026 0.000 0.798 275 K CB 2.555 35.037 32.500 -0.031 0.000 1.204 275 K HN 0.403 nan 8.250 nan 0.000 0.427 276 V N -0.467 119.431 119.914 -0.028 0.000 3.330 276 V HA 0.243 4.378 4.120 0.025 0.000 0.309 276 V C 1.544 177.616 176.094 -0.037 0.000 1.481 276 V CA -0.193 62.086 62.300 -0.035 0.000 1.068 276 V CB 0.294 32.105 31.823 -0.020 0.000 0.935 276 V HN 0.747 nan 8.190 nan 0.000 0.453 277 R N 0.737 121.217 120.500 -0.033 0.000 2.097 277 R HA -0.184 4.170 4.340 0.025 0.000 0.236 277 R C 2.276 178.552 176.300 -0.040 0.000 1.135 277 R CA 2.605 58.686 56.100 -0.031 0.000 0.934 277 R CB -0.160 30.123 30.300 -0.029 0.000 0.846 277 R HN 0.573 nan 8.270 nan 0.000 0.431 278 Q N 0.357 120.127 119.800 -0.050 0.000 2.170 278 Q HA -0.072 4.283 4.340 0.025 0.000 0.203 278 Q C 1.244 177.198 176.000 -0.076 0.000 0.976 278 Q CA 0.894 56.662 55.803 -0.059 0.000 0.858 278 Q CB -0.235 28.465 28.738 -0.064 0.000 0.907 278 Q HN 0.334 nan 8.270 nan 0.000 0.433 282 L N 2.352 123.553 121.223 -0.036 0.000 2.549 282 L HA -0.030 4.325 4.340 0.025 0.000 0.230 282 L C 1.607 178.470 176.870 -0.012 0.000 1.162 282 L CA 1.010 55.832 54.840 -0.030 0.000 0.834 282 L CB -0.495 41.533 42.059 -0.051 0.000 0.947 282 L HN 0.167 nan 8.230 nan 0.000 0.452 283 L N -0.922 120.295 121.223 -0.009 0.000 2.567 283 L HA 0.093 4.448 4.340 0.025 0.000 0.225 283 L C 0.895 177.767 176.870 0.003 0.000 1.119 283 L CA -0.154 54.687 54.840 0.002 0.000 0.871 283 L CB -0.263 41.798 42.059 0.004 0.000 1.036 283 L HN 0.145 nan 8.230 nan 0.000 0.459 284 R N 1.034 121.534 120.500 -0.001 0.000 2.484 284 R HA 0.180 4.535 4.340 0.025 0.000 0.293 284 R C 1.263 177.565 176.300 0.003 0.000 1.023 284 R CA 0.703 56.803 56.100 -0.000 0.000 1.037 284 R CB 0.099 30.397 30.300 -0.004 0.000 0.951 284 R HN 0.294 nan 8.270 nan 0.000 0.418 285 G N 2.317 111.119 108.800 0.004 0.000 2.180 285 G HA2 -0.361 3.613 3.960 0.025 0.000 0.263 285 G HA3 -0.361 3.613 3.960 0.025 0.000 0.263 285 G C 0.384 175.289 174.900 0.008 0.000 0.989 285 G CA 0.740 45.843 45.100 0.005 0.000 0.692 285 G HN 0.759 nan 8.290 nan 0.000 0.526 286 T N -1.447 113.113 114.554 0.010 0.000 2.939 286 T HA 0.394 4.758 4.350 0.025 0.000 0.319 286 T C 1.268 175.976 174.700 0.013 0.000 1.082 286 T CA 0.776 62.884 62.100 0.013 0.000 1.133 286 T CB 1.300 70.178 68.868 0.017 0.000 1.019 286 T HN 0.830 nan 8.240 nan 0.000 0.548 287 K N 0.365 120.773 120.400 0.014 0.000 2.374 287 K HA 0.599 4.934 4.320 0.025 0.000 0.202 287 K C 0.242 176.850 176.600 0.013 0.000 1.040 287 K CA -0.396 55.898 56.287 0.012 0.000 1.085 287 K CB 0.646 33.152 32.500 0.011 0.000 0.873 287 K HN 0.782 nan 8.250 nan 0.000 0.539 288 A N 0.716 123.545 122.820 0.016 0.000 2.594 288 A HA 0.331 4.666 4.320 0.025 0.000 0.296 288 A C 0.009 177.605 177.584 0.019 0.000 1.056 288 A CA -0.807 51.239 52.037 0.016 0.000 0.693 288 A CB 0.435 19.443 19.000 0.013 0.000 1.278 288 A HN 0.127 nan 8.150 nan 0.000 0.408 289 L N 0.650 121.884 121.223 0.018 0.000 2.353 289 L HA -0.094 4.261 4.340 0.025 0.000 0.220 289 L C 2.247 179.131 176.870 0.024 0.000 1.133 289 L CA 1.949 56.802 54.840 0.022 0.000 0.798 289 L CB -0.359 41.710 42.059 0.017 0.000 0.922 289 L HN 0.947 nan 8.230 nan 0.000 0.445 290 T N -4.784 109.781 114.554 0.019 0.000 3.054 290 T HA 0.066 4.431 4.350 0.025 0.000 0.255 290 T C 0.632 175.345 174.700 0.021 0.000 1.035 290 T CA -0.416 61.694 62.100 0.017 0.000 0.941 290 T CB 0.075 68.948 68.868 0.008 0.000 1.026 290 T HN 0.223 nan 8.240 nan 0.000 0.533 291 E N 1.366 121.581 120.200 0.025 0.000 2.437 291 E HA 0.212 4.577 4.350 0.025 0.000 0.263 291 E C -0.961 175.663 176.600 0.040 0.000 1.030 291 E CA -0.245 56.171 56.400 0.027 0.000 0.934 291 E CB 0.677 30.393 29.700 0.026 0.000 0.943 291 E HN 0.111 nan 8.360 nan 0.000 0.444 292 V N 5.706 125.645 119.914 0.041 0.000 2.347 292 V HA 0.246 4.381 4.120 0.025 0.000 0.280 292 V C -0.345 175.787 176.094 0.064 0.000 1.021 292 V CA -0.566 61.770 62.300 0.060 0.000 0.847 292 V CB 0.928 32.780 31.823 0.049 0.000 0.990 292 V HN 0.471 nan 8.190 nan 0.000 0.444 293 I N 8.177 128.798 120.570 0.086 0.000 2.330 293 I HA 0.403 4.588 4.170 0.025 0.000 0.289 293 I C -2.020 174.141 176.117 0.072 0.000 1.001 293 I CA -2.212 59.125 61.300 0.062 0.000 1.193 293 I CB 1.548 39.574 38.000 0.043 0.000 1.345 293 I HN 0.434 nan 8.210 nan 0.000 0.461 294 P HA 0.123 nan 4.420 nan 0.000 0.271 294 P C -0.576 176.731 177.300 0.011 0.000 1.226 294 P CA -0.189 62.941 63.100 0.051 0.000 0.765 294 P CB 0.588 32.309 31.700 0.035 0.000 0.835 295 L N 3.425 124.644 121.223 -0.007 0.000 2.462 295 L HA 0.098 4.453 4.340 0.025 0.000 0.272 295 L C 1.817 178.654 176.870 -0.054 0.000 1.166 295 L CA -0.243 54.544 54.840 -0.087 0.000 0.880 295 L CB -0.100 41.851 42.059 -0.180 0.000 1.142 295 L HN 0.480 nan 8.230 nan 0.000 0.473 296 T N -1.134 113.384 114.554 -0.060 0.000 2.652 296 T HA -0.045 4.320 4.350 0.025 0.000 0.345 296 T C 0.997 175.671 174.700 -0.044 0.000 1.051 296 T CA -0.183 61.892 62.100 -0.042 0.000 1.021 296 T CB 0.935 69.778 68.868 -0.041 0.000 1.141 296 T HN 0.738 nan 8.240 nan 0.000 0.518 297 E N 0.237 120.417 120.200 -0.033 0.000 2.028 297 E HA -0.148 4.217 4.350 0.025 0.000 0.190 297 E C 2.063 178.639 176.600 -0.041 0.000 0.984 297 E CA 1.026 57.408 56.400 -0.030 0.000 0.800 297 E CB -0.134 29.553 29.700 -0.022 0.000 0.758 297 E HN 0.733 nan 8.360 nan 0.000 0.448 298 E N 0.616 120.790 120.200 -0.042 0.000 2.085 298 E HA -0.173 4.191 4.350 0.025 0.000 0.194 298 E C 1.834 178.394 176.600 -0.065 0.000 0.994 298 E CA 1.323 57.695 56.400 -0.047 0.000 0.801 298 E CB -0.329 29.346 29.700 -0.042 0.000 0.743 298 E HN 0.383 nan 8.360 nan 0.000 0.453 299 A N 0.532 123.304 122.820 -0.081 0.000 2.019 299 A HA -0.194 4.141 4.320 0.025 0.000 0.219 299 A C 2.065 179.566 177.584 -0.137 0.000 1.164 299 A CA 1.609 53.574 52.037 -0.119 0.000 0.644 299 A CB -0.322 18.592 19.000 -0.144 0.000 0.805 299 A HN 0.149 nan 8.150 nan 0.000 0.449 300 E N -0.662 119.476 120.200 -0.103 0.000 2.076 300 E HA -0.044 4.320 4.350 0.025 0.000 0.190 300 E C 1.772 178.332 176.600 -0.066 0.000 0.979 300 E CA 0.665 57.013 56.400 -0.086 0.000 0.807 300 E CB -0.244 29.425 29.700 -0.051 0.000 0.761 300 E HN 0.413 nan 8.360 nan 0.000 0.454 301 L N 0.905 122.095 121.223 -0.056 0.000 2.093 301 L HA -0.101 4.254 4.340 0.025 0.000 0.208 301 L C 2.158 178.997 176.870 -0.052 0.000 1.085 301 L CA 1.796 56.609 54.840 -0.045 0.000 0.755 301 L CB -0.318 41.718 42.059 -0.038 0.000 0.904 301 L HN 0.193 nan 8.230 nan 0.000 0.435 302 E N -0.746 119.415 120.200 -0.065 0.000 2.006 302 E HA -0.259 4.105 4.350 0.025 0.000 0.192 302 E C 2.103 178.655 176.600 -0.080 0.000 0.993 302 E CA 1.353 57.711 56.400 -0.070 0.000 0.808 302 E CB -0.328 29.325 29.700 -0.079 0.000 0.764 302 E HN 0.326 nan 8.360 nan 0.000 0.449 303 L N 0.713 121.870 121.223 -0.110 0.000 2.351 303 L HA -0.152 4.203 4.340 0.025 0.000 0.220 303 L C 1.860 178.687 176.870 -0.072 0.000 1.127 303 L CA 1.964 56.733 54.840 -0.119 0.000 0.786 303 L CB -0.457 41.482 42.059 -0.199 0.000 0.914 303 L HN 0.207 nan 8.230 nan 0.000 0.443 304 A N -0.987 121.798 122.820 -0.058 0.000 1.878 304 A HA -0.091 4.244 4.320 0.025 0.000 0.213 304 A C 2.158 179.719 177.584 -0.038 0.000 1.192 304 A CA 1.116 53.131 52.037 -0.036 0.000 0.619 304 A CB -0.426 18.557 19.000 -0.029 0.000 0.837 304 A HN 0.528 nan 8.150 nan 0.000 0.446 305 E N 0.338 120.512 120.200 -0.043 0.000 2.106 305 E HA -0.153 4.211 4.350 0.025 0.000 0.192 305 E C 1.653 178.222 176.600 -0.052 0.000 0.984 305 E CA 1.048 57.423 56.400 -0.042 0.000 0.806 305 E CB -0.145 29.531 29.700 -0.039 0.000 0.750 305 E HN 0.510 nan 8.360 nan 0.000 0.458 306 N N 0.982 119.645 118.700 -0.061 0.000 2.120 306 N HA -0.133 4.622 4.740 0.025 0.000 0.188 306 N C 1.663 177.113 175.510 -0.099 0.000 1.024 306 N CA 0.910 53.912 53.050 -0.080 0.000 0.852 306 N CB -0.238 38.204 38.487 -0.076 0.000 1.003 306 N HN 0.131 nan 8.380 nan 0.000 0.424 307 R N 0.778 121.235 120.500 -0.071 0.000 2.103 307 R HA -0.138 4.217 4.340 0.025 0.000 0.242 307 R C 1.857 178.114 176.300 -0.072 0.000 1.142 307 R CA 1.251 57.313 56.100 -0.064 0.000 0.960 307 R CB -0.114 30.168 30.300 -0.030 0.000 0.858 307 R HN 0.198 nan 8.270 nan 0.000 0.439 308 E N 0.483 120.648 120.200 -0.059 0.000 2.072 308 E HA -0.093 4.272 4.350 0.025 0.000 0.191 308 E C 1.846 178.409 176.600 -0.062 0.000 0.985 308 E CA 0.944 57.316 56.400 -0.048 0.000 0.801 308 E CB -0.070 29.610 29.700 -0.033 0.000 0.750 308 E HN 0.288 nan 8.360 nan 0.000 0.452 309 I N 0.288 120.806 120.570 -0.088 0.000 2.179 309 I HA -0.274 3.911 4.170 0.025 0.000 0.242 309 I C 1.976 177.934 176.117 -0.264 0.000 1.088 309 I CA 1.008 62.247 61.300 -0.101 0.000 1.357 309 I CB -0.305 37.636 38.000 -0.099 0.000 1.051 309 I HN 0.119 nan 8.210 nan 0.000 0.409 310 L N 0.434 121.398 121.223 -0.432 0.000 2.362 310 L HA -0.157 4.198 4.340 0.025 0.000 0.219 310 L C 2.104 178.834 176.870 -0.233 0.000 1.134 310 L CA 1.075 55.534 54.840 -0.634 0.000 0.807 310 L CB -0.571 41.237 42.059 -0.418 0.000 0.927 310 L HN 0.247 nan 8.230 nan 0.000 0.447 311 K N 0.015 120.351 120.400 -0.107 0.000 2.459 311 K HA 0.003 4.338 4.320 0.025 0.000 0.193 311 K C 0.666 177.288 176.600 0.036 0.000 1.030 311 K CA 0.023 56.298 56.287 -0.020 0.000 1.026 311 K CB 0.191 32.679 32.500 -0.021 0.000 0.809 311 K HN 0.282 nan 8.250 nan 0.000 0.504 312 E N 2.535 122.785 120.200 0.083 0.000 2.331 312 E HA 0.077 4.442 4.350 0.025 0.000 0.272 312 E C -2.373 174.341 176.600 0.189 0.000 1.036 312 E CA -2.222 54.258 56.400 0.133 0.000 0.864 312 E CB 0.814 30.608 29.700 0.157 0.000 1.035 312 E HN -0.086 nan 8.360 nan 0.000 0.408 313 P HA 0.038 nan 4.420 nan 0.000 0.279 313 P C -0.742 176.579 177.300 0.034 0.000 1.318 313 P CA -0.172 62.956 63.100 0.047 0.000 0.819 313 P CB 0.406 32.093 31.700 -0.021 0.000 0.927 314 V N 3.295 123.195 119.914 -0.024 0.000 2.378 314 V HA 0.616 4.751 4.120 0.025 0.000 0.288 314 V C -0.329 175.648 176.094 -0.194 0.000 1.016 314 V CA -0.557 61.639 62.300 -0.173 0.000 0.840 314 V CB 1.234 32.743 31.823 -0.524 0.000 0.994 314 V HN 0.709 nan 8.190 nan 0.000 0.431 315 H N 3.323 122.130 119.070 -0.438 0.000 2.865 315 H HA 0.899 5.470 4.556 0.025 0.000 0.372 315 H C -0.165 174.682 175.328 -0.802 0.000 1.173 315 H CA -0.587 55.084 56.048 -0.629 0.000 1.147 315 H CB 2.012 31.504 29.762 -0.451 0.000 1.805 315 H HN 0.864 nan 8.280 nan 0.000 0.553 316 G N -0.033 107.897 108.800 -1.450 0.000 2.932 316 G HA2 0.551 4.526 3.960 0.025 0.000 0.283 316 G HA3 0.551 4.526 3.960 0.025 0.000 0.283 316 G C -1.042 173.470 174.900 -0.647 0.000 1.336 316 G CA -0.655 43.738 45.100 -1.178 0.000 1.056 316 G HN 0.511 nan 8.290 nan 0.000 0.522 317 V N -1.068 118.809 119.914 -0.061 0.000 3.158 317 V HA 0.527 4.662 4.120 0.025 0.000 0.315 317 V C -0.981 175.251 176.094 0.230 0.000 1.148 317 V CA -0.795 61.529 62.300 0.039 0.000 1.042 317 V CB 1.764 33.637 31.823 0.083 0.000 1.101 317 V HN 0.618 nan 8.190 nan 0.000 0.448 318 Y N -0.375 120.137 120.300 0.352 0.000 2.408 318 Y HA 0.430 4.995 4.550 0.025 0.000 0.324 318 Y C -0.166 175.927 175.900 0.322 0.000 1.302 318 Y CA -0.656 57.636 58.100 0.321 0.000 1.384 318 Y CB 0.560 39.156 38.460 0.227 0.000 1.367 318 Y HN 0.576 nan 8.280 nan 0.000 0.525 319 Y N 1.329 121.856 120.300 0.378 0.000 2.336 319 Y HA 0.202 4.766 4.550 0.024 0.000 0.335 319 Y C -0.548 175.440 175.900 0.146 0.000 1.046 319 Y CA -0.629 57.617 58.100 0.242 0.000 1.198 319 Y CB 0.610 39.277 38.460 0.344 0.000 1.182 319 Y HN 0.538 nan 8.280 nan 0.000 0.502 320 D N 8.451 128.600 120.400 -0.418 0.000 2.441 320 D HA 0.298 4.952 4.640 0.025 0.000 0.231 320 D C -2.179 173.633 176.300 -0.813 0.000 1.073 320 D CA -2.689 51.046 54.000 -0.441 0.000 0.850 320 D CB 1.875 42.572 40.800 -0.171 0.000 1.062 320 D HN 0.313 nan 8.370 nan 0.000 0.524 321 P HA -0.071 nan 4.420 nan 0.000 0.229 321 P C 0.477 177.629 177.300 -0.247 0.000 1.150 321 P CA 0.799 63.564 63.100 -0.557 0.000 0.765 321 P CB 0.207 31.748 31.700 -0.264 0.000 0.783 322 S N -3.059 112.512 115.700 -0.214 0.000 2.572 322 S HA 0.243 4.728 4.470 0.025 0.000 0.228 322 S C 0.516 175.059 174.600 -0.095 0.000 0.963 322 S CA -0.324 57.806 58.200 -0.116 0.000 0.939 322 S CB -0.115 63.032 63.200 -0.088 0.000 0.804 322 S HN 0.047 nan 8.310 nan 0.000 0.480 323 K N 1.346 121.678 120.400 -0.113 0.000 2.328 323 K HA 0.390 4.724 4.320 0.025 0.000 0.246 323 K C -1.214 175.346 176.600 -0.068 0.000 0.955 323 K CA -0.899 55.342 56.287 -0.077 0.000 0.817 323 K CB 1.005 33.465 32.500 -0.067 0.000 1.208 323 K HN 0.057 nan 8.250 nan 0.000 0.432 324 D N 1.466 121.821 120.400 -0.075 0.000 2.449 324 D HA -0.022 4.632 4.640 0.025 0.000 0.236 324 D C -0.543 175.662 176.300 -0.159 0.000 1.149 324 D CA 0.205 54.143 54.000 -0.104 0.000 0.878 324 D CB 0.703 41.436 40.800 -0.111 0.000 1.198 324 D HN 0.084 nan 8.370 nan 0.000 0.446 325 L N 3.366 124.459 121.223 -0.216 0.000 2.280 325 L HA 0.393 4.747 4.340 0.025 0.000 0.287 325 L C -0.675 175.923 176.870 -0.454 0.000 1.023 325 L CA -0.235 54.386 54.840 -0.364 0.000 0.819 325 L CB 0.575 42.399 42.059 -0.392 0.000 1.212 325 L HN 0.243 nan 8.230 nan 0.000 0.420 326 I N 4.366 124.577 120.570 -0.599 0.000 2.530 326 I HA 0.748 4.933 4.170 0.025 0.000 0.297 326 I C -0.295 175.350 176.117 -0.787 0.000 1.011 326 I CA -0.773 60.095 61.300 -0.720 0.000 1.107 326 I CB 2.025 39.493 38.000 -0.887 0.000 1.285 326 I HN 0.698 nan 8.210 nan 0.000 0.436 327 A N 4.972 127.418 122.820 -0.625 0.000 2.353 327 A HA 0.578 4.913 4.320 0.025 0.000 0.299 327 A C -0.882 176.619 177.584 -0.138 0.000 1.089 327 A CA -0.482 51.303 52.037 -0.421 0.000 0.736 327 A CB 1.294 19.911 19.000 -0.637 0.000 1.195 327 A HN 0.766 nan 8.150 nan 0.000 0.447 328 E N 2.605 122.845 120.200 0.066 0.000 2.183 328 E HA 0.700 5.065 4.350 0.025 0.000 0.271 328 E C -1.261 175.465 176.600 0.210 0.000 0.919 328 E CA -0.499 56.002 56.400 0.168 0.000 0.781 328 E CB 1.179 31.018 29.700 0.232 0.000 1.140 328 E HN 0.641 nan 8.360 nan 0.000 0.402 329 I N 2.729 123.421 120.570 0.203 0.000 2.646 329 I HA 0.324 4.508 4.170 0.025 0.000 0.299 329 I C -0.790 175.461 176.117 0.224 0.000 1.036 329 I CA -0.921 60.520 61.300 0.235 0.000 1.074 329 I CB 2.077 40.196 38.000 0.199 0.000 1.258 329 I HN 0.452 nan 8.210 nan 0.000 0.430 330 Q N 3.406 123.359 119.800 0.255 0.000 2.397 330 Q HA 0.400 4.755 4.340 0.025 0.000 0.275 330 Q C -0.954 175.175 176.000 0.215 0.000 1.090 330 Q CA -0.865 55.053 55.803 0.192 0.000 0.809 330 Q CB 2.581 31.374 28.738 0.091 0.000 1.362 330 Q HN 0.330 nan 8.270 nan 0.000 0.431 331 K N 1.748 122.173 120.400 0.040 0.000 2.263 331 K HA 0.093 4.427 4.320 0.025 0.000 0.282 331 K C 0.348 176.791 176.600 -0.262 0.000 1.089 331 K CA 0.095 56.151 56.287 -0.384 0.000 0.907 331 K CB 0.668 32.859 32.500 -0.514 0.000 1.148 331 K HN 0.740 nan 8.250 nan 0.000 0.470 332 Q N 2.680 122.325 119.800 -0.259 0.000 2.245 332 Q HA 0.037 4.392 4.340 0.025 0.000 0.201 332 Q C 0.206 176.102 176.000 -0.172 0.000 0.955 332 Q CA 0.901 56.610 55.803 -0.156 0.000 0.870 332 Q CB 0.345 29.020 28.738 -0.105 0.000 0.945 332 Q HN 0.839 nan 8.270 nan 0.000 0.461 333 G N -0.232 108.409 108.800 -0.266 0.000 2.430 333 G HA2 0.059 4.033 3.960 0.025 0.000 0.300 333 G HA3 0.059 4.033 3.960 0.025 0.000 0.300 333 G C -1.953 172.782 174.900 -0.276 0.000 1.330 333 G CA -0.870 44.110 45.100 -0.200 0.000 0.813 333 G HN 0.179 nan 8.290 nan 0.000 0.487 334 Q N -0.141 119.554 119.800 -0.175 0.000 2.274 334 Q HA 0.400 4.755 4.340 0.025 0.000 0.280 334 Q C 1.355 177.269 176.000 -0.144 0.000 1.047 334 Q CA 1.438 57.147 55.803 -0.157 0.000 0.907 334 Q CB 0.178 28.852 28.738 -0.106 0.000 1.171 334 Q HN 2.208 nan 8.270 nan 0.000 0.381 335 G N 3.223 111.948 108.800 -0.125 0.000 2.168 335 G HA2 -0.320 3.655 3.960 0.025 0.000 0.257 335 G HA3 -0.320 3.655 3.960 0.025 0.000 0.257 335 G C -0.177 174.727 174.900 0.007 0.000 0.997 335 G CA 0.597 45.729 45.100 0.054 0.000 0.708 335 G HN 0.621 nan 8.290 nan 0.000 0.520 336 Q N -1.312 118.277 119.800 -0.352 0.000 2.323 336 Q HA 0.597 4.952 4.340 0.025 0.000 0.271 336 Q C -1.156 174.559 176.000 -0.475 0.000 1.048 336 Q CA -0.885 54.797 55.803 -0.202 0.000 0.792 336 Q CB 1.526 30.193 28.738 -0.119 0.000 1.280 336 Q HN 0.336 nan 8.270 nan 0.000 0.441 337 W N 0.872 122.219 121.300 0.078 0.000 2.936 337 W HA 0.543 5.220 4.660 0.029 0.000 0.338 337 W C -0.392 176.138 176.519 0.018 0.000 1.121 337 W CA -0.674 56.716 57.345 0.075 0.000 1.209 337 W CB 1.658 31.204 29.460 0.144 0.000 1.420 337 W HN 0.452 nan 8.180 nan 0.000 0.516 338 T N -0.309 114.377 114.554 0.220 0.000 2.863 338 T HA 0.804 5.168 4.350 0.025 0.000 0.285 338 T C -1.285 173.496 174.700 0.135 0.000 1.009 338 T CA -0.711 61.411 62.100 0.037 0.000 0.989 338 T CB 1.626 70.477 68.868 -0.029 0.000 1.004 338 T HN 0.512 nan 8.240 nan 0.000 0.455 339 Y N 0.083 120.380 120.300 -0.005 0.000 2.562 339 Y HA 0.737 5.300 4.550 0.023 0.000 0.345 339 Y C -1.223 174.681 175.900 0.007 0.000 1.045 339 Y CA -1.315 56.800 58.100 0.025 0.000 1.028 339 Y CB 1.772 40.252 38.460 0.034 0.000 1.297 339 Y HN 0.817 nan 8.280 nan 0.000 0.463 340 Q N 3.720 123.680 119.800 0.267 0.000 2.331 340 Q HA 0.588 4.943 4.340 0.025 0.000 0.272 340 Q C -1.792 174.368 176.000 0.267 0.000 1.062 340 Q CA -0.753 55.175 55.803 0.207 0.000 0.806 340 Q CB 2.938 31.745 28.738 0.115 0.000 1.312 340 Q HN 0.942 nan 8.270 nan 0.000 0.431 341 I N 3.726 124.422 120.570 0.210 0.000 2.378 341 I HA 0.537 4.722 4.170 0.025 0.000 0.291 341 I C -0.879 175.242 176.117 0.007 0.000 0.992 341 I CA -1.003 60.290 61.300 -0.012 0.000 1.154 341 I CB 0.923 38.899 38.000 -0.041 0.000 1.315 341 I HN 0.701 nan 8.210 nan 0.000 0.448 342 Y N 3.178 123.395 120.300 -0.139 0.000 2.655 342 Y HA 0.528 5.092 4.550 0.023 0.000 0.336 342 Y C -0.137 175.676 175.900 -0.144 0.000 1.154 342 Y CA -0.886 57.147 58.100 -0.111 0.000 1.055 342 Y CB 1.100 39.530 38.460 -0.051 0.000 1.295 342 Y HN 0.438 nan 8.280 nan 0.000 0.465 343 Q N 0.188 120.031 119.800 0.073 0.000 2.606 343 Q HA 0.240 4.595 4.340 0.025 0.000 0.215 343 Q C -0.642 175.443 176.000 0.142 0.000 0.908 343 Q CA 0.106 55.909 55.803 0.001 0.000 0.908 343 Q CB 0.816 29.552 28.738 -0.003 0.000 1.120 343 Q HN 0.743 nan 8.270 nan 0.000 0.628 344 E N 1.855 122.153 120.200 0.163 0.000 2.231 344 E HA 0.271 4.636 4.350 0.025 0.000 0.277 344 E C -2.531 174.123 176.600 0.090 0.000 0.999 344 E CA -2.179 54.279 56.400 0.096 0.000 0.827 344 E CB 1.356 31.077 29.700 0.035 0.000 1.101 344 E HN -0.040 nan 8.360 nan 0.000 0.393 345 P HA -0.028 nan 4.420 nan 0.000 0.268 345 P C -0.355 176.841 177.300 -0.173 0.000 1.204 345 P CA 0.671 63.584 63.100 -0.312 0.000 0.768 345 P CB 0.172 31.621 31.700 -0.417 0.000 0.842 346 F N -1.081 118.640 119.950 -0.381 0.000 2.498 346 F HA -0.276 4.264 4.527 0.022 0.000 0.563 346 F C 0.587 176.264 175.800 -0.205 0.000 0.514 346 F CA 0.464 58.312 58.000 -0.254 0.000 1.189 346 F CB -0.926 37.978 39.000 -0.159 0.000 1.924 346 F HN 0.335 nan 8.300 nan 0.000 0.261 347 K N 2.403 122.818 120.400 0.026 0.000 2.296 347 K HA 0.254 4.589 4.320 0.025 0.000 0.257 347 K C -0.373 176.222 176.600 -0.007 0.000 1.088 347 K CA -0.383 55.891 56.287 -0.021 0.000 0.980 347 K CB 0.475 32.992 32.500 0.028 0.000 1.430 347 K HN 0.042 nan 8.250 nan 0.000 0.441 348 N N 2.862 121.510 118.700 -0.087 0.000 2.514 348 N HA 0.101 4.856 4.740 0.025 0.000 0.277 348 N C 0.950 176.491 175.510 0.051 0.000 1.126 348 N CA -0.081 52.975 53.050 0.010 0.000 0.978 348 N CB 1.419 39.873 38.487 -0.055 0.000 1.106 348 N HN 0.359 nan 8.380 nan 0.000 0.461 349 L N 1.051 122.379 121.223 0.176 0.000 2.127 349 L HA 0.091 4.446 4.340 0.025 0.000 0.203 349 L C 1.036 178.202 176.870 0.495 0.000 1.080 349 L CA 1.063 56.104 54.840 0.335 0.000 0.768 349 L CB 0.084 42.296 42.059 0.254 0.000 0.924 349 L HN 0.532 nan 8.230 nan 0.000 0.444 350 K N -1.163 119.445 120.400 0.346 0.000 2.579 350 K HA 0.389 4.724 4.320 0.025 0.000 0.284 350 K C -1.370 175.334 176.600 0.173 0.000 0.990 350 K CA -0.407 56.081 56.287 0.335 0.000 0.880 350 K CB 2.050 34.723 32.500 0.289 0.000 1.488 350 K HN -0.023 nan 8.250 nan 0.000 0.425 351 T N -1.482 113.100 114.554 0.047 0.000 2.787 351 T HA 0.903 5.267 4.350 0.025 0.000 0.297 351 T C -0.146 174.250 174.700 -0.507 0.000 1.221 351 T CA -0.315 61.667 62.100 -0.195 0.000 1.006 351 T CB 1.853 70.596 68.868 -0.208 0.000 1.328 351 T HN 0.903 nan 8.240 nan 0.000 0.509 352 G N -0.040 108.159 108.800 -1.002 0.000 2.320 352 G HA2 0.591 4.566 3.960 0.025 0.000 0.296 352 G HA3 0.591 4.566 3.960 0.025 0.000 0.296 352 G C -2.231 172.037 174.900 -1.052 0.000 1.306 352 G CA -0.605 43.856 45.100 -1.064 0.000 0.836 352 G HN 1.103 nan 8.290 nan 0.000 0.517 353 K N -1.243 118.739 120.400 -0.696 0.000 2.562 353 K HA 0.649 4.984 4.320 0.025 0.000 0.267 353 K C -2.157 174.246 176.600 -0.328 0.000 0.938 353 K CA -1.067 54.971 56.287 -0.416 0.000 0.840 353 K CB 1.937 34.320 32.500 -0.195 0.000 1.390 353 K HN 0.432 nan 8.250 nan 0.000 0.428 354 Y N 1.087 121.507 120.300 0.199 0.000 2.334 354 Y HA 0.491 5.055 4.550 0.023 0.000 0.336 354 Y C 0.389 176.398 175.900 0.182 0.000 0.960 354 Y CA -0.756 57.458 58.100 0.190 0.000 1.164 354 Y CB 1.828 40.411 38.460 0.204 0.000 1.155 354 Y HN 0.854 nan 8.280 nan 0.000 0.478 355 A N 3.010 125.988 122.820 0.265 0.000 2.448 355 A HA 0.323 4.658 4.320 0.025 0.000 0.239 355 A C 0.418 178.104 177.584 0.170 0.000 1.080 355 A CA -0.600 51.538 52.037 0.169 0.000 0.779 355 A CB 0.130 19.201 19.000 0.118 0.000 1.026 355 A HN 0.796 nan 8.150 nan 0.000 0.499 356 R N 1.960 122.527 120.500 0.112 0.000 2.413 356 R HA 0.184 4.539 4.340 0.025 0.000 0.333 356 R C 0.127 176.480 176.300 0.088 0.000 1.074 356 R CA 0.545 56.701 56.100 0.094 0.000 0.982 356 R CB -0.654 29.672 30.300 0.043 0.000 0.981 356 R HN 0.612 nan 8.270 nan 0.000 0.452 357 M N 4.023 123.684 119.600 0.103 0.000 2.664 357 M HA 0.330 4.825 4.480 0.025 0.000 0.332 357 M C -0.567 175.778 176.300 0.075 0.000 1.354 357 M CA -0.453 54.897 55.300 0.083 0.000 1.399 357 M CB 0.679 33.327 32.600 0.081 0.000 1.224 357 M HN 0.246 nan 8.290 nan 0.000 0.479 358 R N 2.286 122.823 120.500 0.062 0.000 2.770 358 R HA 0.314 4.669 4.340 0.025 0.000 0.361 358 R C 0.238 176.579 176.300 0.068 0.000 0.860 358 R CA 0.297 56.432 56.100 0.057 0.000 1.071 358 R CB -0.686 29.639 30.300 0.042 0.000 0.907 358 R HN 0.877 nan 8.270 nan 0.000 0.403 359 G N 0.703 109.554 108.800 0.085 0.000 2.746 359 G HA2 0.455 4.430 3.960 0.025 0.000 0.297 359 G HA3 0.455 4.430 3.960 0.025 0.000 0.297 359 G C 0.495 175.485 174.900 0.149 0.000 1.426 359 G CA -0.357 44.805 45.100 0.102 0.000 0.989 359 G HN 0.489 nan 8.290 nan 0.000 0.520 360 A N 1.231 124.160 122.820 0.182 0.000 1.534 360 A HA -0.170 4.165 4.320 0.025 0.000 0.355 360 A C 1.060 178.928 177.584 0.473 0.000 4.590 360 A CA 2.995 55.223 52.037 0.319 0.000 1.005 360 A CB -1.546 17.690 19.000 0.393 0.000 0.635 360 A HN 2.616 nan 8.150 nan 0.000 0.506 361 H N -3.700 115.448 119.070 0.129 0.000 3.003 361 H HA 0.583 5.154 4.556 0.024 0.000 0.288 361 H C -0.865 174.564 175.328 0.169 0.000 1.152 361 H CA 0.264 56.399 56.048 0.145 0.000 1.625 361 H CB -0.183 29.677 29.762 0.163 0.000 2.121 361 H HN 0.914 nan 8.280 nan 0.000 0.483 362 T N 1.739 116.386 114.554 0.155 0.000 2.626 362 T HA 0.545 4.910 4.350 0.025 0.000 0.299 362 T C -1.361 173.429 174.700 0.150 0.000 1.181 362 T CA -0.196 61.978 62.100 0.124 0.000 1.053 362 T CB 1.646 70.570 68.868 0.094 0.000 1.566 362 T HN 1.033 nan 8.240 nan 0.000 0.486 363 N N -0.341 118.420 118.700 0.102 0.000 2.416 363 N HA 0.446 5.200 4.740 0.025 0.000 0.276 363 N C -0.145 175.375 175.510 0.017 0.000 1.261 363 N CA -0.630 52.467 53.050 0.079 0.000 0.790 363 N CB 0.962 39.490 38.487 0.068 0.000 1.554 363 N HN 0.317 nan 8.380 nan 0.000 0.481 364 D N 0.114 120.575 120.400 0.102 0.000 2.116 364 D HA -0.142 4.512 4.640 0.025 0.000 0.193 364 D C 1.700 177.981 176.300 -0.032 0.000 0.998 364 D CA 1.397 55.504 54.000 0.179 0.000 0.836 364 D CB -0.242 40.725 40.800 0.278 0.000 0.951 364 D HN 0.399 nan 8.370 nan 0.000 0.449 365 V N 0.678 120.366 119.914 -0.377 0.000 2.407 365 V HA -0.249 3.885 4.120 0.025 0.000 0.248 365 V C 2.308 177.917 176.094 -0.809 0.000 1.055 365 V CA 1.589 63.470 62.300 -0.698 0.000 1.049 365 V CB -0.479 30.564 31.823 -1.300 0.000 0.662 365 V HN 0.100 nan 8.190 nan 0.000 0.455 366 K N 0.686 120.608 120.400 -0.796 0.000 1.984 366 K HA -0.172 4.163 4.320 0.025 0.000 0.209 366 K C 2.214 178.637 176.600 -0.294 0.000 1.046 366 K CA 1.705 57.718 56.287 -0.457 0.000 0.934 366 K CB -0.540 31.850 32.500 -0.182 0.000 0.717 366 K HN 0.483 nan 8.250 nan 0.000 0.438 367 Q N -0.130 119.560 119.800 -0.183 0.000 2.135 367 Q HA -0.175 4.180 4.340 0.025 0.000 0.204 367 Q C 2.059 177.684 176.000 -0.625 0.000 0.981 367 Q CA 1.578 57.276 55.803 -0.175 0.000 0.856 367 Q CB -0.288 28.579 28.738 0.216 0.000 0.902 367 Q HN 0.295 nan 8.270 nan 0.000 0.425 368 L N 0.335 121.098 121.223 -0.766 0.000 2.017 368 L HA -0.166 4.189 4.340 0.025 0.000 0.208 368 L C 2.285 178.658 176.870 -0.827 0.000 1.073 368 L CA 2.032 56.158 54.840 -1.190 0.000 0.745 368 L CB -1.026 40.592 42.059 -0.734 0.000 0.894 368 L HN 0.058 nan 8.230 nan 0.000 0.432 369 T N -0.577 113.611 114.554 -0.609 0.000 2.737 369 T HA -0.227 4.137 4.350 0.025 0.000 0.269 369 T C 1.690 176.117 174.700 -0.455 0.000 1.040 369 T CA 1.984 63.782 62.100 -0.503 0.000 1.142 369 T CB -0.173 68.546 68.868 -0.249 0.000 0.861 369 T HN 0.535 nan 8.240 nan 0.000 0.456 370 E N 0.089 120.038 120.200 -0.418 0.000 2.216 370 E HA 0.108 4.473 4.350 0.025 0.000 0.192 370 E C 2.417 178.741 176.600 -0.459 0.000 0.988 370 E CA 0.650 56.833 56.400 -0.361 0.000 0.834 370 E CB -0.076 29.461 29.700 -0.273 0.000 0.772 370 E HN 0.470 nan 8.360 nan 0.000 0.479 371 A N 0.849 123.325 122.820 -0.574 0.000 1.929 371 A HA -0.092 4.243 4.320 0.025 0.000 0.216 371 A C 2.422 179.761 177.584 -0.408 0.000 1.176 371 A CA 0.743 52.482 52.037 -0.497 0.000 0.628 371 A CB -0.448 18.196 19.000 -0.593 0.000 0.816 371 A HN 0.097 nan 8.150 nan 0.000 0.444 372 V N 0.372 119.945 119.914 -0.568 0.000 2.343 372 V HA -0.271 3.863 4.120 0.025 0.000 0.247 372 V C 2.817 178.617 176.094 -0.491 0.000 1.051 372 V CA 2.244 64.106 62.300 -0.729 0.000 1.036 372 V CB -0.607 30.560 31.823 -1.094 0.000 0.654 372 V HN 0.733 nan 8.190 nan 0.000 0.451 373 Q N 0.652 120.206 119.800 -0.411 0.000 2.020 373 Q HA -0.249 4.106 4.340 0.025 0.000 0.202 373 Q C 2.305 178.183 176.000 -0.203 0.000 0.982 373 Q CA 1.976 57.619 55.803 -0.266 0.000 0.838 373 Q CB -0.211 28.393 28.738 -0.223 0.000 0.899 373 Q HN 0.588 nan 8.270 nan 0.000 0.423 374 K N 0.125 120.362 120.400 -0.272 0.000 2.103 374 K HA -0.105 4.230 4.320 0.025 0.000 0.207 374 K C 2.260 178.785 176.600 -0.126 0.000 1.048 374 K CA 1.557 57.696 56.287 -0.248 0.000 0.930 374 K CB -0.169 32.016 32.500 -0.525 0.000 0.716 374 K HN 0.292 nan 8.250 nan 0.000 0.444 375 I N 0.500 120.998 120.570 -0.119 0.000 2.315 375 I HA -0.248 3.937 4.170 0.025 0.000 0.248 375 I C 2.091 178.212 176.117 0.007 0.000 1.117 375 I CA 1.151 62.391 61.300 -0.099 0.000 1.404 375 I CB -0.505 37.421 38.000 -0.123 0.000 1.071 375 I HN 0.174 nan 8.210 nan 0.000 0.419 376 T N 0.211 114.798 114.554 0.056 0.000 2.746 376 T HA -0.162 4.203 4.350 0.025 0.000 0.267 376 T C 1.905 176.619 174.700 0.023 0.000 1.039 376 T CA 2.084 64.230 62.100 0.077 0.000 1.142 376 T CB -0.348 68.548 68.868 0.047 0.000 0.866 376 T HN 0.366 nan 8.240 nan 0.000 0.444 377 T N 1.479 116.025 114.554 -0.014 0.000 2.867 377 T HA -0.079 4.286 4.350 0.025 0.000 0.268 377 T C 1.898 176.577 174.700 -0.034 0.000 1.057 377 T CA 1.250 63.337 62.100 -0.021 0.000 1.136 377 T CB -0.170 68.677 68.868 -0.036 0.000 0.874 377 T HN 0.565 nan 8.240 nan 0.000 0.466 378 E N 0.979 121.156 120.200 -0.038 0.000 2.047 378 E HA -0.123 4.242 4.350 0.025 0.000 0.191 378 E C 2.222 178.746 176.600 -0.127 0.000 0.987 378 E CA 1.308 57.664 56.400 -0.073 0.000 0.799 378 E CB -0.031 29.643 29.700 -0.043 0.000 0.752 378 E HN 0.385 nan 8.360 nan 0.000 0.449 379 S N 0.758 116.461 115.700 0.004 0.000 2.355 379 S HA -0.109 4.375 4.470 0.025 0.000 0.222 379 S C 2.016 176.654 174.600 0.065 0.000 1.031 379 S CA 1.060 59.371 58.200 0.186 0.000 0.993 379 S CB -0.262 63.124 63.200 0.311 0.000 0.859 379 S HN 0.297 nan 8.310 nan 0.000 0.453 380 I N 1.422 122.008 120.570 0.027 0.000 2.264 380 I HA -0.169 4.016 4.170 0.025 0.000 0.248 380 I C 2.137 178.224 176.117 -0.051 0.000 1.111 380 I CA 0.955 62.261 61.300 0.010 0.000 1.382 380 I CB -0.436 37.572 38.000 0.014 0.000 1.060 380 I HN 0.161 nan 8.210 nan 0.000 0.418 381 V N 0.894 120.748 119.914 -0.101 0.000 2.358 381 V HA -0.241 3.893 4.120 0.025 0.000 0.246 381 V C 2.185 178.130 176.094 -0.248 0.000 1.047 381 V CA 1.778 63.995 62.300 -0.138 0.000 1.035 381 V CB -0.280 31.466 31.823 -0.129 0.000 0.658 381 V HN 0.323 nan 8.190 nan 0.000 0.452 382 I N -1.732 118.568 120.570 -0.451 0.000 2.400 382 I HA -0.122 4.063 4.170 0.025 0.000 0.248 382 I C 1.993 177.597 176.117 -0.855 0.000 1.109 382 I CA 1.358 62.163 61.300 -0.824 0.000 1.425 382 I CB -0.162 36.905 38.000 -1.555 0.000 1.094 382 I HN 0.386 nan 8.210 nan 0.000 0.425 383 W N 0.274 121.432 121.300 -0.237 0.000 3.008 383 W HA 0.381 5.055 4.660 0.025 0.000 0.355 383 W C 1.389 177.815 176.519 -0.156 0.000 1.095 383 W CA 0.520 57.666 57.345 -0.332 0.000 1.738 383 W CB -0.252 28.849 29.460 -0.599 0.000 1.091 383 W HN 0.297 nan 8.180 nan 0.000 0.574 384 G N 2.608 111.435 108.800 0.045 0.000 2.179 384 G HA2 -0.319 3.655 3.960 0.025 0.000 0.257 384 G HA3 -0.319 3.655 3.960 0.025 0.000 0.257 384 G C 0.132 175.077 174.900 0.074 0.000 1.010 384 G CA 1.067 46.197 45.100 0.050 0.000 0.736 384 G HN 0.387 nan 8.290 nan 0.000 0.513 385 K N -1.674 118.780 120.400 0.091 0.000 2.575 385 K HA 0.691 5.026 4.320 0.025 0.000 0.279 385 K C -0.504 176.125 176.600 0.048 0.000 0.969 385 K CA -0.496 55.831 56.287 0.066 0.000 0.868 385 K CB 1.027 33.566 32.500 0.064 0.000 1.457 385 K HN 0.573 nan 8.250 nan 0.000 0.426 386 T N -0.161 114.404 114.554 0.019 0.000 2.875 386 T HA 0.525 4.890 4.350 0.025 0.000 0.284 386 T C -2.059 172.566 174.700 -0.125 0.000 0.995 386 T CA -1.533 60.557 62.100 -0.016 0.000 1.060 386 T CB 0.962 69.854 68.868 0.040 0.000 0.967 386 T HN 0.509 nan 8.240 nan 0.000 0.476 387 P HA 0.319 nan 4.420 nan 0.000 0.276 387 P C -0.817 176.170 177.300 -0.521 0.000 1.261 387 P CA -0.741 62.076 63.100 -0.472 0.000 0.800 387 P CB 0.781 32.084 31.700 -0.661 0.000 1.066 388 K N 0.984 121.127 120.400 -0.427 0.000 2.276 388 K HA 0.323 4.658 4.320 0.025 0.000 0.283 388 K C -0.271 176.099 176.600 -0.383 0.000 1.044 388 K CA -0.128 55.994 56.287 -0.276 0.000 0.944 388 K CB 0.182 32.569 32.500 -0.187 0.000 1.012 388 K HN 0.344 nan 8.250 nan 0.000 0.472 389 F N 2.033 121.938 119.950 -0.077 0.000 2.399 389 F HA 0.258 4.799 4.527 0.022 0.000 0.334 389 F C 0.648 176.469 175.800 0.035 0.000 1.097 389 F CA -0.423 57.543 58.000 -0.056 0.000 1.076 389 F CB 1.204 40.144 39.000 -0.100 0.000 1.162 389 F HN 0.153 nan 8.300 nan 0.000 0.495 390 K N 5.349 125.877 120.400 0.214 0.000 2.507 390 K HA 0.527 4.862 4.320 0.025 0.000 0.253 390 K C -1.367 175.353 176.600 0.200 0.000 0.969 390 K CA -0.386 56.011 56.287 0.184 0.000 0.908 390 K CB 1.405 33.964 32.500 0.098 0.000 1.127 390 K HN 0.501 nan 8.250 nan 0.000 0.437 391 L N 3.767 125.139 121.223 0.248 0.000 2.342 391 L HA 0.500 4.855 4.340 0.025 0.000 0.271 391 L C -2.077 174.936 176.870 0.239 0.000 1.008 391 L CA -2.249 52.672 54.840 0.136 0.000 0.818 391 L CB 1.856 43.823 42.059 -0.152 0.000 1.296 391 L HN 0.371 nan 8.230 nan 0.000 0.427 392 P HA 0.249 nan 4.420 nan 0.000 0.225 392 P C -0.732 176.763 177.300 0.326 0.000 1.813 392 P CA 0.297 63.566 63.100 0.281 0.000 1.013 392 P CB 0.355 32.165 31.700 0.184 0.000 1.961 393 I N -0.467 120.363 120.570 0.435 0.000 2.743 393 I HA 0.210 4.395 4.170 0.025 0.000 0.292 393 I C -1.153 175.054 176.117 0.150 0.000 1.343 393 I CA -0.836 60.575 61.300 0.185 0.000 1.038 393 I CB 2.727 40.726 38.000 -0.002 0.000 1.311 393 I HN -0.099 nan 8.210 nan 0.000 0.426 394 Q N 5.714 125.423 119.800 -0.151 0.000 2.327 394 Q HA 0.228 4.583 4.340 0.025 0.000 0.254 394 Q C 0.510 176.629 176.000 0.198 0.000 0.952 394 Q CA -0.608 55.018 55.803 -0.294 0.000 0.884 394 Q CB 1.383 29.894 28.738 -0.379 0.000 1.224 394 Q HN 0.484 nan 8.270 nan 0.000 0.422 395 K N 1.805 122.337 120.400 0.220 0.000 2.218 395 K HA -0.194 4.140 4.320 0.025 0.000 0.205 395 K C 1.347 178.156 176.600 0.348 0.000 1.046 395 K CA 1.366 57.874 56.287 0.368 0.000 0.933 395 K CB 0.245 32.778 32.500 0.055 0.000 0.728 395 K HN 0.554 nan 8.250 nan 0.000 0.454 396 E N -0.099 120.199 120.200 0.163 0.000 2.046 396 E HA -0.080 4.284 4.350 0.025 0.000 0.190 396 E C 2.080 178.762 176.600 0.137 0.000 0.982 396 E CA 1.131 57.598 56.400 0.112 0.000 0.800 396 E CB -0.519 29.199 29.700 0.029 0.000 0.756 396 E HN 0.265 nan 8.360 nan 0.000 0.449 397 T N 1.605 116.239 114.554 0.135 0.000 2.720 397 T HA -0.168 4.197 4.350 0.025 0.000 0.268 397 T C 1.419 176.270 174.700 0.251 0.000 1.037 397 T CA 1.243 63.420 62.100 0.129 0.000 1.144 397 T CB -0.373 68.536 68.868 0.068 0.000 0.864 397 T HN 0.410 nan 8.240 nan 0.000 0.444 398 W N 2.059 123.481 121.300 0.203 0.000 2.353 398 W HA -0.181 4.492 4.660 0.021 0.000 0.319 398 W C 2.253 179.063 176.519 0.485 0.000 1.207 398 W CA 1.671 59.210 57.345 0.322 0.000 1.291 398 W CB -0.302 29.397 29.460 0.398 0.000 1.159 398 W HN 0.266 nan 8.180 nan 0.000 0.478 399 E N 0.125 120.507 120.200 0.304 0.000 2.118 399 E HA -0.210 4.155 4.350 0.025 0.000 0.195 399 E C 2.060 178.515 176.600 -0.242 0.000 0.992 399 E CA 2.737 59.160 56.400 0.038 0.000 0.804 399 E CB -0.505 29.281 29.700 0.144 0.000 0.741 399 E HN 0.044 nan 8.360 nan 0.000 0.458 400 T N -0.678 113.831 114.554 -0.075 0.000 2.857 400 T HA -0.109 4.256 4.350 0.025 0.000 0.266 400 T C 1.021 175.656 174.700 -0.110 0.000 1.048 400 T CA 1.211 63.253 62.100 -0.097 0.000 1.139 400 T CB -0.355 68.507 68.868 -0.009 0.000 0.874 400 T HN 0.431 nan 8.240 nan 0.000 0.455 401 W N 0.577 121.731 121.300 -0.244 0.000 2.519 401 W HA 0.029 4.707 4.660 0.030 0.000 0.313 401 W C 2.123 178.446 176.519 -0.326 0.000 1.156 401 W CA 0.734 57.928 57.345 -0.251 0.000 1.394 401 W CB -0.705 28.625 29.460 -0.216 0.000 1.154 401 W HN 0.364 nan 8.180 nan 0.000 0.498 402 W N 1.387 122.345 121.300 -0.570 0.000 2.318 402 W HA -0.241 4.432 4.660 0.022 0.000 0.313 402 W C 2.228 178.412 176.519 -0.558 0.000 1.221 402 W CA 3.081 59.923 57.345 -0.838 0.000 1.266 402 W CB -1.471 27.218 29.460 -1.285 0.000 1.150 402 W HN -0.115 nan 8.180 nan 0.000 0.496 403 T N 0.124 113.840 114.554 -1.397 0.000 2.849 403 T HA -0.235 4.130 4.350 0.025 0.000 0.270 403 T C 1.106 175.437 174.700 -0.615 0.000 1.066 403 T CA 2.086 63.415 62.100 -1.285 0.000 1.130 403 T CB -0.269 67.911 68.868 -1.147 0.000 0.864 403 T HN 0.211 nan 8.240 nan 0.000 0.481 404 E N -0.821 119.081 120.200 -0.496 0.000 2.526 404 E HA 0.266 4.631 4.350 0.025 0.000 0.208 404 E C -0.709 175.727 176.600 -0.273 0.000 0.997 404 E CA -0.355 55.855 56.400 -0.318 0.000 0.961 404 E CB 0.217 29.774 29.700 -0.238 0.000 1.030 404 E HN 0.481 nan 8.360 nan 0.000 0.483 405 Y N 0.730 120.667 120.300 -0.605 0.000 2.346 405 Y HA 0.000 4.567 4.550 0.028 0.000 0.330 405 Y C 1.122 176.798 175.900 -0.374 0.000 1.178 405 Y CA -0.687 57.030 58.100 -0.638 0.000 1.331 405 Y CB 0.458 38.181 38.460 -1.229 0.000 1.253 405 Y HN 0.217 nan 8.280 nan 0.000 0.529 406 W N 4.237 125.087 121.300 -0.750 0.000 2.611 406 W HA -0.012 4.663 4.660 0.024 0.000 0.251 406 W C -0.577 175.683 176.519 -0.431 0.000 1.265 406 W CA 0.302 57.330 57.345 -0.528 0.000 1.295 406 W CB -0.173 28.987 29.460 -0.500 0.000 1.129 406 W HN 0.566 nan 8.180 nan 0.000 0.630 407 Q N 1.127 120.049 119.800 -1.464 0.000 2.306 407 Q HA 0.547 4.902 4.340 0.025 0.000 0.265 407 Q C -0.457 175.300 176.000 -0.406 0.000 1.022 407 Q CA -0.599 54.519 55.803 -1.140 0.000 0.853 407 Q CB 2.285 29.986 28.738 -1.729 0.000 1.327 407 Q HN 0.017 nan 8.270 nan 0.000 0.449 408 A N 2.148 124.832 122.820 -0.226 0.000 2.488 408 A HA 0.464 4.799 4.320 0.025 0.000 0.249 408 A C -0.380 177.211 177.584 0.013 0.000 1.083 408 A CA 0.473 52.477 52.037 -0.054 0.000 0.768 408 A CB -0.059 18.922 19.000 -0.032 0.000 1.017 408 A HN 0.736 nan 8.150 nan 0.000 0.496 409 T N -0.896 113.735 114.554 0.128 0.000 2.868 409 T HA 0.653 5.018 4.350 0.025 0.000 0.306 409 T C -1.110 173.793 174.700 0.338 0.000 1.224 409 T CA -0.552 61.689 62.100 0.235 0.000 1.012 409 T CB 1.218 70.308 68.868 0.369 0.000 1.221 409 T HN 1.380 nan 8.240 nan 0.000 0.499 410 W N 1.009 122.353 121.300 0.073 0.000 3.464 410 W HA 0.682 5.359 4.660 0.028 0.000 0.292 410 W C -2.806 173.595 176.519 -0.197 0.000 1.262 410 W CA -1.342 55.986 57.345 -0.027 0.000 1.202 410 W CB 0.957 30.361 29.460 -0.094 0.000 1.334 410 W HN 0.872 nan 8.180 nan 0.000 0.561 411 I N 6.107 125.976 120.570 -1.169 0.000 2.466 411 I HA 0.335 4.520 4.170 0.025 0.000 0.289 411 I C -1.860 173.217 176.117 -1.732 0.000 1.026 411 I CA -2.097 58.362 61.300 -1.401 0.000 1.078 411 I CB 2.010 39.068 38.000 -1.569 0.000 1.249 411 I HN 0.098 nan 8.210 nan 0.000 0.429 412 P HA -0.042 nan 4.420 nan 0.000 0.291 412 P C -0.350 176.766 177.300 -0.308 0.000 1.287 412 P CA -0.427 62.040 63.100 -1.055 0.000 0.767 412 P CB 0.354 31.762 31.700 -0.486 0.000 1.290 413 E N 0.931 121.111 120.200 -0.034 0.000 2.585 413 E HA -0.045 4.320 4.350 0.025 0.000 0.252 413 E C -0.841 175.858 176.600 0.165 0.000 0.981 413 E CA 0.333 56.767 56.400 0.056 0.000 0.943 413 E CB 0.027 29.750 29.700 0.039 0.000 0.923 413 E HN 0.333 nan 8.360 nan 0.000 0.486 414 W N 3.584 124.825 121.300 -0.099 0.000 3.038 414 W HA 0.662 5.333 4.660 0.019 0.000 0.347 414 W C -1.126 175.376 176.519 -0.027 0.000 1.219 414 W CA -1.004 56.306 57.345 -0.059 0.000 1.142 414 W CB 0.620 29.981 29.460 -0.164 0.000 1.484 414 W HN 0.506 nan 8.180 nan 0.000 0.586 415 E N 0.404 120.703 120.200 0.165 0.000 2.416 415 E HA 0.513 4.878 4.350 0.025 0.000 0.273 415 E C -2.055 174.728 176.600 0.305 0.000 0.935 415 E CA -0.855 55.540 56.400 -0.009 0.000 0.784 415 E CB 3.040 32.748 29.700 0.013 0.000 1.301 415 E HN 0.261 nan 8.360 nan 0.000 0.454 416 F N 2.665 122.647 119.950 0.053 0.000 2.421 416 F HA 0.557 5.089 4.527 0.007 0.000 0.337 416 F C -1.363 174.515 175.800 0.129 0.000 1.105 416 F CA -0.695 57.423 58.000 0.197 0.000 1.049 416 F CB 1.419 40.508 39.000 0.147 0.000 1.139 416 F HN 0.131 nan 8.300 nan 0.000 0.479 417 V N 7.061 126.579 119.914 -0.660 0.000 2.531 417 V HA 0.354 4.488 4.120 0.025 0.000 0.301 417 V C -0.700 174.814 176.094 -0.966 0.000 1.034 417 V CA -0.730 61.178 62.300 -0.652 0.000 0.865 417 V CB 1.468 33.177 31.823 -0.190 0.000 0.995 417 V HN 0.831 nan 8.190 nan 0.000 0.424 418 N N 4.298 122.477 118.700 -0.869 0.000 3.254 418 N HA 0.159 4.914 4.740 0.025 0.000 0.308 418 N C -0.195 175.242 175.510 -0.123 0.000 1.281 418 N CA 0.022 52.826 53.050 -0.409 0.000 1.212 418 N CB 0.049 38.455 38.487 -0.134 0.000 1.478 418 N HN 0.732 nan 8.380 nan 0.000 0.548 419 T N 2.577 117.082 114.554 -0.082 0.000 3.262 419 T HA 0.297 4.661 4.350 0.025 0.000 0.374 419 T C -2.359 172.356 174.700 0.026 0.000 1.504 419 T CA -1.172 60.918 62.100 -0.018 0.000 1.158 419 T CB 1.048 69.908 68.868 -0.013 0.000 1.157 419 T HN 0.239 nan 8.240 nan 0.000 0.644 420 P HA 0.055 nan 4.420 nan 0.000 0.269 420 P C -2.330 174.986 177.300 0.027 0.000 1.200 420 P CA -0.776 62.350 63.100 0.045 0.000 0.779 420 P CB -0.243 31.480 31.700 0.038 0.000 0.841 421 P HA 0.169 nan 4.420 nan 0.000 0.272 421 P C -0.653 176.676 177.300 0.049 0.000 1.223 421 P CA 0.066 63.182 63.100 0.027 0.000 0.784 421 P CB 0.438 32.147 31.700 0.015 0.000 0.923 422 L N 1.052 122.305 121.223 0.051 0.000 2.360 422 L HA 0.407 4.762 4.340 0.025 0.000 0.271 422 L C 0.001 176.882 176.870 0.019 0.000 1.057 422 L CA -1.240 53.652 54.840 0.086 0.000 0.803 422 L CB 1.259 43.387 42.059 0.116 0.000 1.207 422 L HN 0.066 nan 8.230 nan 0.000 0.445 423 V N 3.297 123.242 119.914 0.052 0.000 2.498 423 V HA 0.393 4.528 4.120 0.025 0.000 0.279 423 V C 0.231 176.274 176.094 -0.085 0.000 1.048 423 V CA -0.249 62.061 62.300 0.016 0.000 0.967 423 V CB 1.164 33.062 31.823 0.125 0.000 0.988 423 V HN 0.801 nan 8.190 nan 0.000 0.473 424 K N 5.236 125.501 120.400 -0.224 0.000 2.507 424 K HA 0.493 4.828 4.320 0.025 0.000 0.284 424 K C -1.602 174.767 176.600 -0.385 0.000 1.038 424 K CA -0.884 55.238 56.287 -0.275 0.000 0.903 424 K CB 1.353 33.678 32.500 -0.291 0.000 1.531 424 K HN 0.390 nan 8.250 nan 0.000 0.430 425 L N 1.786 122.847 121.223 -0.270 0.000 2.319 425 L HA 0.310 4.665 4.340 0.025 0.000 0.280 425 L C 0.634 177.369 176.870 -0.226 0.000 1.099 425 L CA -0.727 54.005 54.840 -0.181 0.000 0.828 425 L CB 0.373 42.394 42.059 -0.063 0.000 1.150 425 L HN 0.605 nan 8.230 nan 0.000 0.442 426 W N 2.800 124.108 121.300 0.014 0.000 2.467 426 W HA -0.038 4.637 4.660 0.025 0.000 0.275 426 W C 0.293 176.953 176.519 0.236 0.000 1.239 426 W CA 0.211 57.632 57.345 0.127 0.000 1.266 426 W CB -0.098 29.480 29.460 0.198 0.000 1.112 426 W HN 0.520 nan 8.180 nan 0.000 0.576 427 Y N -2.869 117.579 120.300 0.246 0.000 2.702 427 Y HA 0.547 5.111 4.550 0.022 0.000 0.336 427 Y C -1.285 174.706 175.900 0.152 0.000 1.203 427 Y CA -2.253 55.950 58.100 0.173 0.000 1.072 427 Y CB 0.450 39.016 38.460 0.175 0.000 1.327 427 Y HN -0.162 nan 8.280 nan 0.000 0.456 428 Q N 2.919 122.857 119.800 0.231 0.000 2.295 428 Q HA 0.495 4.850 4.340 0.025 0.000 0.259 428 Q C -1.328 174.815 176.000 0.239 0.000 0.966 428 Q CA -0.746 55.137 55.803 0.135 0.000 0.763 428 Q CB 2.679 31.467 28.738 0.083 0.000 1.283 428 Q HN 0.716 nan 8.270 nan 0.000 0.445 429 L N 1.921 123.308 121.223 0.273 0.000 2.483 429 L HA 0.070 4.424 4.340 0.025 0.000 0.276 429 L C 0.891 177.884 176.870 0.205 0.000 1.213 429 L CA -0.026 54.967 54.840 0.254 0.000 0.843 429 L CB 0.200 42.394 42.059 0.226 0.000 1.107 429 L HN 0.442 nan 8.230 nan 0.000 0.487 430 E N 2.030 122.372 120.200 0.236 0.000 2.408 430 E HA 0.013 4.377 4.350 0.025 0.000 0.259 430 E C 0.508 177.253 176.600 0.242 0.000 1.110 430 E CA -0.158 56.364 56.400 0.204 0.000 0.929 430 E CB 0.739 30.548 29.700 0.181 0.000 0.971 430 E HN 0.363 nan 8.360 nan 0.000 0.438 431 K N 0.849 121.321 120.400 0.121 0.000 2.314 431 K HA 0.081 4.416 4.320 0.025 0.000 0.198 431 K C 0.251 176.882 176.600 0.051 0.000 1.045 431 K CA 0.729 57.080 56.287 0.107 0.000 0.988 431 K CB 0.457 32.982 32.500 0.040 0.000 0.783 431 K HN 0.385 nan 8.250 nan 0.000 0.484 432 E N 0.199 120.300 120.200 -0.165 0.000 2.393 432 E HA 0.310 4.674 4.350 0.025 0.000 0.273 432 E C -2.688 173.326 176.600 -0.976 0.000 0.918 432 E CA -2.319 53.797 56.400 -0.472 0.000 0.773 432 E CB 2.054 31.613 29.700 -0.234 0.000 1.275 432 E HN -0.143 nan 8.360 nan 0.000 0.451 433 P HA 0.124 nan 4.420 nan 0.000 0.267 433 P C -0.042 177.053 177.300 -0.342 0.000 1.200 433 P CA 0.170 62.740 63.100 -0.883 0.000 0.772 433 P CB 0.543 32.002 31.700 -0.401 0.000 0.855 434 I N 2.410 122.889 120.570 -0.152 0.000 2.396 434 I HA 0.093 4.278 4.170 0.025 0.000 0.289 434 I C 0.643 176.744 176.117 -0.027 0.000 1.056 434 I CA -0.747 60.520 61.300 -0.055 0.000 1.365 434 I CB 0.820 38.828 38.000 0.014 0.000 1.407 434 I HN 0.048 nan 8.210 nan 0.000 0.509 435 V N 5.909 125.806 119.914 -0.029 0.000 2.649 435 V HA 0.359 4.493 4.120 0.025 0.000 0.292 435 V C 1.216 177.313 176.094 0.004 0.000 1.055 435 V CA 0.554 62.847 62.300 -0.012 0.000 1.023 435 V CB 0.777 32.590 31.823 -0.016 0.000 0.992 435 V HN 1.136 nan 8.190 nan 0.000 0.480 436 G N 3.288 112.095 108.800 0.012 0.000 2.179 436 G HA2 -0.115 3.860 3.960 0.025 0.000 0.260 436 G HA3 -0.115 3.860 3.960 0.025 0.000 0.260 436 G C 0.301 175.218 174.900 0.029 0.000 0.977 436 G CA 0.195 45.305 45.100 0.018 0.000 0.641 436 G HN 1.524 nan 8.290 nan 0.000 0.533 437 A N 0.013 122.856 122.820 0.039 0.000 2.305 437 A HA 0.738 5.073 4.320 0.025 0.000 0.322 437 A C 0.302 177.935 177.584 0.081 0.000 1.187 437 A CA 0.267 52.341 52.037 0.061 0.000 0.825 437 A CB 0.784 19.823 19.000 0.065 0.000 1.164 437 A HN 0.572 nan 8.150 nan 0.000 0.498 438 E N 0.910 121.174 120.200 0.107 0.000 2.436 438 E HA 0.169 4.534 4.350 0.025 0.000 0.262 438 E C -0.619 176.074 176.600 0.155 0.000 1.063 438 E CA 0.518 56.974 56.400 0.093 0.000 0.944 438 E CB 0.422 30.178 29.700 0.094 0.000 0.950 438 E HN 0.538 nan 8.360 nan 0.000 0.444 439 T N 4.440 119.037 114.554 0.071 0.000 2.809 439 T HA 0.323 4.688 4.350 0.025 0.000 0.296 439 T C -1.044 173.700 174.700 0.073 0.000 1.015 439 T CA -0.443 61.721 62.100 0.107 0.000 0.954 439 T CB 0.033 68.947 68.868 0.077 0.000 0.950 439 T HN 0.217 nan 8.240 nan 0.000 0.450 440 F N 2.657 122.563 119.950 -0.074 0.000 2.405 440 F HA 0.395 4.938 4.527 0.026 0.000 0.355 440 F C -0.034 175.731 175.800 -0.058 0.000 1.121 440 F CA -1.220 56.758 58.000 -0.037 0.000 1.112 440 F CB 0.619 39.518 39.000 -0.168 0.000 1.126 440 F HN 0.520 nan 8.300 nan 0.000 0.481 441 Y N 3.459 123.866 120.300 0.178 0.000 2.594 441 Y HA 0.415 4.980 4.550 0.025 0.000 0.342 441 Y C 0.183 176.191 175.900 0.180 0.000 1.010 441 Y CA -1.030 57.148 58.100 0.130 0.000 1.270 441 Y CB 0.559 39.060 38.460 0.068 0.000 1.125 441 Y HN 0.382 nan 8.280 nan 0.000 0.513 442 V N -0.330 119.733 119.914 0.248 0.000 2.743 442 V HA 0.739 4.874 4.120 0.025 0.000 0.301 442 V C -0.582 175.608 176.094 0.159 0.000 1.057 442 V CA -0.456 61.988 62.300 0.240 0.000 1.006 442 V CB 1.999 33.942 31.823 0.199 0.000 1.024 442 V HN 0.577 nan 8.190 nan 0.000 0.473 443 D N 1.149 121.631 120.400 0.137 0.000 2.736 443 D HA 0.745 5.400 4.640 0.025 0.000 0.223 443 D C -0.488 175.855 176.300 0.072 0.000 1.231 443 D CA 0.329 54.383 54.000 0.089 0.000 0.818 443 D CB 2.201 43.045 40.800 0.072 0.000 1.587 443 D HN 1.172 nan 8.370 nan 0.000 0.463 444 G N 0.268 109.101 108.800 0.056 0.000 2.701 444 G HA2 0.756 4.731 3.960 0.025 0.000 0.300 444 G HA3 0.756 4.731 3.960 0.025 0.000 0.300 444 G C -1.544 173.374 174.900 0.031 0.000 1.410 444 G CA -0.340 44.786 45.100 0.043 0.000 1.014 444 G HN 0.576 nan 8.290 nan 0.000 0.509 445 A N 0.321 123.154 122.820 0.021 0.000 2.515 445 A HA 1.049 5.384 4.320 0.025 0.000 0.298 445 A C -0.454 177.136 177.584 0.010 0.000 1.059 445 A CA -0.196 51.850 52.037 0.016 0.000 0.698 445 A CB 1.961 20.969 19.000 0.013 0.000 1.289 445 A HN 2.390 nan 8.150 nan 0.000 0.404 446 A N 1.591 124.416 122.820 0.008 0.000 2.513 446 A HA 0.607 4.941 4.320 0.025 0.000 0.296 446 A C -0.856 176.730 177.584 0.004 0.000 1.052 446 A CA -0.643 51.397 52.037 0.004 0.000 0.714 446 A CB 0.981 19.982 19.000 0.001 0.000 1.279 446 A HN 0.859 nan 8.150 nan 0.000 0.397 447 N N 1.526 120.228 118.700 0.002 0.000 2.406 447 N HA -0.008 4.747 4.740 0.025 0.000 0.274 447 N C 1.084 176.595 175.510 0.002 0.000 1.249 447 N CA -0.179 52.872 53.050 0.002 0.000 0.951 447 N CB 0.706 39.194 38.487 0.001 0.000 1.241 447 N HN 0.639 nan 8.380 nan 0.000 0.485 448 R N 3.324 123.826 120.500 0.003 0.000 2.303 448 R HA -0.091 4.264 4.340 0.025 0.000 0.225 448 R C 1.087 177.387 176.300 0.001 0.000 1.114 448 R CA 1.242 57.343 56.100 0.002 0.000 1.007 448 R CB -0.325 29.977 30.300 0.004 0.000 0.861 448 R HN 0.604 nan 8.270 nan 0.000 0.471 449 E N 0.160 120.361 120.200 0.002 0.000 2.079 449 E HA -0.032 4.333 4.350 0.025 0.000 0.191 449 E C 1.458 178.058 176.600 0.000 0.000 0.961 449 E CA 1.320 57.721 56.400 0.001 0.000 0.823 449 E CB 0.076 29.777 29.700 0.002 0.000 0.789 449 E HN 0.554 nan 8.360 nan 0.000 0.459 450 T N -0.919 113.635 114.554 0.000 0.000 3.055 450 T HA 0.027 4.392 4.350 0.025 0.000 0.265 450 T C 0.777 175.476 174.700 -0.002 0.000 1.111 450 T CA 0.236 62.336 62.100 -0.001 0.000 1.118 450 T CB -0.142 68.726 68.868 -0.001 0.000 0.909 450 T HN 0.030 nan 8.240 nan 0.000 0.501 451 K N 0.716 121.115 120.400 -0.002 0.000 3.069 451 K HA -0.120 4.215 4.320 0.025 0.000 0.267 451 K C -0.746 175.852 176.600 -0.003 0.000 1.082 451 K CA 0.299 56.583 56.287 -0.004 0.000 0.782 451 K CB -2.084 30.413 32.500 -0.005 0.000 1.230 451 K HN 0.519 nan 8.250 nan 0.000 0.488 452 L N 0.541 121.762 121.223 -0.002 0.000 2.305 452 L HA 0.603 4.958 4.340 0.025 0.000 0.284 452 L C 0.791 177.661 176.870 -0.001 0.000 1.013 452 L CA -0.463 54.376 54.840 -0.002 0.000 0.819 452 L CB 1.821 43.879 42.059 -0.002 0.000 1.227 452 L HN 0.252 nan 8.230 nan 0.000 0.417 453 G N 2.689 111.489 108.800 -0.001 0.000 2.687 453 G HA2 0.628 4.603 3.960 0.025 0.000 0.291 453 G HA3 0.628 4.603 3.960 0.025 0.000 0.291 453 G C -1.735 173.166 174.900 0.001 0.000 1.420 453 G CA -0.556 44.545 45.100 0.001 0.000 0.796 453 G HN 0.389 nan 8.290 nan 0.000 0.485 454 K N -1.017 119.385 120.400 0.003 0.000 2.443 454 K HA 0.780 5.115 4.320 0.025 0.000 0.251 454 K C -0.984 175.622 176.600 0.010 0.000 0.972 454 K CA -0.734 55.554 56.287 0.002 0.000 0.833 454 K CB 2.741 35.238 32.500 -0.006 0.000 1.317 454 K HN 0.816 nan 8.250 nan 0.000 0.441 455 A N 0.643 123.470 122.820 0.011 0.000 2.486 455 A HA 0.907 5.241 4.320 0.025 0.000 0.300 455 A C -0.748 176.844 177.584 0.013 0.000 1.048 455 A CA -0.312 51.743 52.037 0.030 0.000 0.696 455 A CB 1.933 20.963 19.000 0.050 0.000 1.278 455 A HN 0.786 nan 8.150 nan 0.000 0.405 456 G N -0.300 108.518 108.800 0.031 0.000 2.428 456 G HA2 0.698 4.673 3.960 0.025 0.000 0.304 456 G HA3 0.698 4.673 3.960 0.025 0.000 0.304 456 G C -1.464 173.481 174.900 0.076 0.000 1.303 456 G CA 0.289 45.359 45.100 -0.051 0.000 0.825 456 G HN 2.109 nan 8.290 nan 0.000 0.484 457 Y N -2.920 117.445 120.300 0.110 0.000 2.689 457 Y HA 0.821 5.386 4.550 0.025 0.000 0.333 457 Y C -1.295 174.664 175.900 0.098 0.000 1.208 457 Y CA -1.747 56.443 58.100 0.150 0.000 1.055 457 Y CB 1.345 39.970 38.460 0.275 0.000 1.304 457 Y HN 0.746 nan 8.280 nan 0.000 0.455 458 V N 1.766 121.915 119.914 0.392 0.000 2.668 458 V HA 0.604 4.738 4.120 0.025 0.000 0.304 458 V C -0.356 175.839 176.094 0.168 0.000 1.071 458 V CA -0.096 62.327 62.300 0.205 0.000 0.894 458 V CB 1.799 33.658 31.823 0.060 0.000 1.008 458 V HN 1.153 nan 8.190 nan 0.000 0.425 459 T N 0.532 115.077 114.554 -0.016 0.000 2.944 459 T HA 0.282 4.647 4.350 0.025 0.000 0.284 459 T C 1.199 175.856 174.700 -0.071 0.000 1.010 459 T CA -0.260 61.730 62.100 -0.183 0.000 1.025 459 T CB 1.341 69.780 68.868 -0.715 0.000 1.079 459 T HN 0.686 nan 8.240 nan 0.000 0.516 460 N N 1.524 120.216 118.700 -0.014 0.000 2.364 460 N HA -0.153 4.601 4.740 0.025 0.000 0.183 460 N C 1.292 176.777 175.510 -0.040 0.000 1.022 460 N CA 0.778 53.828 53.050 0.001 0.000 0.883 460 N CB -0.376 38.147 38.487 0.061 0.000 0.965 460 N HN 0.676 nan 8.380 nan 0.000 0.438 461 R N -0.395 120.058 120.500 -0.079 0.000 2.310 461 R HA 0.137 4.492 4.340 0.025 0.000 0.202 461 R C 0.747 177.013 176.300 -0.057 0.000 0.933 461 R CA 0.475 56.536 56.100 -0.065 0.000 1.054 461 R CB 0.017 30.270 30.300 -0.079 0.000 0.985 461 R HN 0.423 nan 8.270 nan 0.000 0.489 462 G N 1.641 110.404 108.800 -0.060 0.000 2.141 462 G HA2 -0.308 3.666 3.960 0.025 0.000 0.242 462 G HA3 -0.308 3.666 3.960 0.025 0.000 0.242 462 G C 0.003 174.887 174.900 -0.026 0.000 0.982 462 G CA -0.191 44.885 45.100 -0.040 0.000 0.662 462 G HN 0.298 nan 8.290 nan 0.000 0.527 463 R N 0.836 121.313 120.500 -0.037 0.000 2.349 463 R HA 0.533 4.888 4.340 0.025 0.000 0.299 463 R C 0.436 176.811 176.300 0.125 0.000 1.027 463 R CA 0.041 56.159 56.100 0.030 0.000 0.958 463 R CB 0.409 30.707 30.300 -0.004 0.000 1.047 463 R HN 0.643 nan 8.270 nan 0.000 0.468 464 Q N 2.789 122.651 119.800 0.104 0.000 2.501 464 Q HA 0.547 4.902 4.340 0.025 0.000 0.288 464 Q C -1.618 174.228 176.000 -0.258 0.000 1.051 464 Q CA -1.187 54.588 55.803 -0.046 0.000 0.788 464 Q CB 2.785 31.485 28.738 -0.064 0.000 1.469 464 Q HN 0.494 nan 8.270 nan 0.000 0.416 465 K N 0.133 120.181 120.400 -0.586 0.000 2.610 465 K HA 0.625 4.960 4.320 0.025 0.000 0.278 465 K C -2.358 174.007 176.600 -0.392 0.000 0.964 465 K CA -0.737 55.256 56.287 -0.489 0.000 0.859 465 K CB 2.830 34.983 32.500 -0.578 0.000 1.434 465 K HN 0.484 nan 8.250 nan 0.000 0.410 466 V N 3.314 123.105 119.914 -0.204 0.000 2.789 466 V HA 0.464 4.599 4.120 0.025 0.000 0.300 466 V C -1.718 174.335 176.094 -0.068 0.000 1.184 466 V CA -0.554 61.672 62.300 -0.125 0.000 0.930 466 V CB 1.982 33.750 31.823 -0.091 0.000 1.041 466 V HN 0.556 nan 8.190 nan 0.000 0.430 467 V N 4.981 124.872 119.914 -0.039 0.000 2.628 467 V HA 0.604 4.739 4.120 0.025 0.000 0.306 467 V C 0.182 176.273 176.094 -0.005 0.000 1.045 467 V CA -0.495 61.797 62.300 -0.012 0.000 0.905 467 V CB 2.456 34.286 31.823 0.011 0.000 0.997 467 V HN 0.917 nan 8.190 nan 0.000 0.436 468 T N 5.869 120.421 114.554 -0.004 0.000 2.767 468 T HA 0.646 5.010 4.350 0.025 0.000 0.288 468 T C -0.368 174.334 174.700 0.003 0.000 0.963 468 T CA -0.298 61.800 62.100 -0.002 0.000 1.019 468 T CB 0.569 69.435 68.868 -0.004 0.000 0.923 468 T HN 0.358 nan 8.240 nan 0.000 0.468 469 L N 2.907 124.132 121.223 0.003 0.000 2.296 469 L HA 0.436 4.791 4.340 0.025 0.000 0.286 469 L C 0.500 177.370 176.870 -0.001 0.000 1.023 469 L CA -0.793 54.049 54.840 0.003 0.000 0.812 469 L CB 1.403 43.464 42.059 0.004 0.000 1.223 469 L HN 0.555 nan 8.230 nan 0.000 0.421 470 T N 1.771 116.324 114.554 -0.001 0.000 2.743 470 T HA 0.155 4.520 4.350 0.025 0.000 0.293 470 T C -0.151 174.545 174.700 -0.005 0.000 0.945 470 T CA 0.101 62.200 62.100 -0.003 0.000 1.030 470 T CB 0.318 69.184 68.868 -0.002 0.000 0.912 470 T HN 0.713 nan 8.240 nan 0.000 0.483 471 D N 2.076 122.472 120.400 -0.006 0.000 2.872 471 D HA -0.149 4.506 4.640 0.025 0.000 0.248 471 D C -0.086 176.207 176.300 -0.012 0.000 1.104 471 D CA 1.196 55.191 54.000 -0.008 0.000 0.784 471 D CB -0.893 39.902 40.800 -0.008 0.000 1.036 471 D HN 0.575 nan 8.370 nan 0.000 0.426 472 T N -0.794 113.753 114.554 -0.011 0.000 2.676 472 T HA 0.857 5.222 4.350 0.025 0.000 0.269 472 T C -0.101 174.590 174.700 -0.016 0.000 0.952 472 T CA 0.481 62.571 62.100 -0.016 0.000 1.040 472 T CB 1.564 70.423 68.868 -0.015 0.000 1.352 472 T HN 0.456 nan 8.240 nan 0.000 0.554 473 T N -1.413 113.129 114.554 -0.022 0.000 2.864 473 T HA 0.421 4.785 4.350 0.025 0.000 0.289 473 T C 0.950 175.640 174.700 -0.017 0.000 1.082 473 T CA -0.615 61.474 62.100 -0.019 0.000 1.009 473 T CB 1.228 70.079 68.868 -0.028 0.000 1.234 473 T HN 0.649 nan 8.240 nan 0.000 0.526 474 N N -0.158 118.536 118.700 -0.009 0.000 2.058 474 N HA -0.220 4.535 4.740 0.025 0.000 0.191 474 N C 2.019 177.524 175.510 -0.009 0.000 1.037 474 N CA 1.489 54.539 53.050 -0.000 0.000 0.848 474 N CB -0.141 38.352 38.487 0.010 0.000 1.021 474 N HN 0.771 nan 8.380 nan 0.000 0.422 475 Q N 1.119 120.904 119.800 -0.025 0.000 2.029 475 Q HA -0.260 4.095 4.340 0.025 0.000 0.209 475 Q C 1.729 177.679 176.000 -0.084 0.000 0.999 475 Q CA 1.866 57.632 55.803 -0.061 0.000 0.857 475 Q CB -0.038 28.637 28.738 -0.106 0.000 0.926 475 Q HN 0.289 nan 8.270 nan 0.000 0.415 476 K N -0.391 119.959 120.400 -0.083 0.000 2.160 476 K HA -0.169 4.166 4.320 0.025 0.000 0.206 476 K C 2.243 178.820 176.600 -0.038 0.000 1.047 476 K CA 1.882 58.122 56.287 -0.078 0.000 0.930 476 K CB -0.238 32.223 32.500 -0.065 0.000 0.720 476 K HN 0.574 nan 8.250 nan 0.000 0.450 477 T N -1.353 113.191 114.554 -0.016 0.000 2.857 477 T HA -0.073 4.291 4.350 0.025 0.000 0.266 477 T C 1.677 176.393 174.700 0.027 0.000 1.048 477 T CA 0.792 62.898 62.100 0.010 0.000 1.139 477 T CB -0.104 68.772 68.868 0.012 0.000 0.874 477 T HN 0.249 nan 8.240 nan 0.000 0.455 478 E N 1.457 121.669 120.200 0.021 0.000 2.023 478 E HA -0.040 4.324 4.350 0.025 0.000 0.196 478 E C 2.252 178.880 176.600 0.046 0.000 1.003 478 E CA 1.359 57.786 56.400 0.044 0.000 0.809 478 E CB -0.452 29.278 29.700 0.050 0.000 0.755 478 E HN 0.440 nan 8.360 nan 0.000 0.449 479 L N 0.670 121.895 121.223 0.003 0.000 2.079 479 L HA -0.244 4.110 4.340 0.025 0.000 0.210 479 L C 2.724 179.625 176.870 0.052 0.000 1.081 479 L CA 1.165 56.002 54.840 -0.004 0.000 0.752 479 L CB -0.352 41.640 42.059 -0.112 0.000 0.896 479 L HN 0.159 nan 8.230 nan 0.000 0.433 480 Q N 0.303 120.135 119.800 0.054 0.000 2.123 480 Q HA -0.108 4.246 4.340 0.025 0.000 0.199 480 Q C 2.225 178.319 176.000 0.156 0.000 0.966 480 Q CA 1.596 57.474 55.803 0.124 0.000 0.845 480 Q CB -0.127 28.661 28.738 0.084 0.000 0.907 480 Q HN 0.401 nan 8.270 nan 0.000 0.439 481 A N 0.603 123.494 122.820 0.119 0.000 1.892 481 A HA -0.205 4.130 4.320 0.025 0.000 0.218 481 A C 2.090 179.764 177.584 0.150 0.000 1.188 481 A CA 1.773 53.897 52.037 0.146 0.000 0.631 481 A CB -0.853 18.222 19.000 0.125 0.000 0.822 481 A HN 0.510 nan 8.150 nan 0.000 0.447 482 I N -2.341 118.295 120.570 0.109 0.000 2.252 482 I HA -0.234 3.950 4.170 0.025 0.000 0.245 482 I C 2.483 178.625 176.117 0.041 0.000 1.102 482 I CA 1.658 62.994 61.300 0.060 0.000 1.385 482 I CB -0.483 37.556 38.000 0.065 0.000 1.064 482 I HN 0.503 nan 8.210 nan 0.000 0.414 483 Y N 1.893 122.178 120.300 -0.025 0.000 2.128 483 Y HA -0.240 4.324 4.550 0.023 0.000 0.284 483 Y C 2.326 178.203 175.900 -0.038 0.000 1.154 483 Y CA 1.544 59.619 58.100 -0.042 0.000 1.149 483 Y CB -0.465 37.979 38.460 -0.027 0.000 0.976 483 Y HN 0.015 nan 8.280 nan 0.000 0.505 484 L N -0.523 120.673 121.223 -0.045 0.000 2.042 484 L HA -0.268 4.086 4.340 0.025 0.000 0.210 484 L C 2.761 179.541 176.870 -0.150 0.000 1.076 484 L CA 1.250 56.066 54.840 -0.041 0.000 0.749 484 L CB -1.058 41.140 42.059 0.231 0.000 0.893 484 L HN 0.334 nan 8.230 nan 0.000 0.432 485 A N 0.149 122.835 122.820 -0.224 0.000 1.902 485 A HA -0.176 4.159 4.320 0.025 0.000 0.217 485 A C 2.247 179.319 177.584 -0.854 0.000 1.181 485 A CA 1.477 53.075 52.037 -0.733 0.000 0.623 485 A CB -0.681 18.009 19.000 -0.517 0.000 0.818 485 A HN 0.357 nan 8.150 nan 0.000 0.443 486 L N -0.283 120.631 121.223 -0.516 0.000 2.046 486 L HA -0.265 4.090 4.340 0.025 0.000 0.208 486 L C 2.957 179.582 176.870 -0.408 0.000 1.077 486 L CA 1.775 56.359 54.840 -0.426 0.000 0.747 486 L CB -0.623 41.274 42.059 -0.269 0.000 0.896 486 L HN 0.662 nan 8.230 nan 0.000 0.432 487 Q N -1.188 118.333 119.800 -0.465 0.000 2.311 487 Q HA -0.116 4.239 4.340 0.025 0.000 0.203 487 Q C 0.849 176.711 176.000 -0.230 0.000 0.954 487 Q CA 1.054 56.642 55.803 -0.359 0.000 0.885 487 Q CB -0.123 28.337 28.738 -0.464 0.000 0.963 487 Q HN 0.382 nan 8.270 nan 0.000 0.471 488 D N 1.245 121.499 120.400 -0.243 0.000 2.354 488 D HA 0.021 4.676 4.640 0.025 0.000 0.209 488 D C 0.434 176.696 176.300 -0.063 0.000 1.015 488 D CA 0.507 54.454 54.000 -0.089 0.000 0.867 488 D CB 0.370 41.201 40.800 0.052 0.000 0.933 488 D HN 0.299 nan 8.370 nan 0.000 0.520 489 S N -0.826 114.717 115.700 -0.261 0.000 2.730 489 S HA 0.670 5.155 4.470 0.025 0.000 0.284 489 S C 0.844 175.402 174.600 -0.069 0.000 1.153 489 S CA -0.678 57.435 58.200 -0.144 0.000 0.995 489 S CB 1.832 64.718 63.200 -0.525 0.000 1.058 489 S HN 0.048 nan 8.310 nan 0.000 0.552 490 G N -0.503 108.299 108.800 0.004 0.000 2.494 490 G HA2 0.398 4.372 3.960 0.025 0.000 0.270 490 G HA3 0.398 4.372 3.960 0.025 0.000 0.270 490 G C 0.458 175.346 174.900 -0.019 0.000 1.423 490 G CA -0.911 44.191 45.100 0.003 0.000 1.055 490 G HN 0.695 nan 8.290 nan 0.000 0.536 491 L N -0.268 120.955 121.223 -0.001 0.000 2.610 491 L HA 0.194 4.549 4.340 0.025 0.000 0.232 491 L C 0.427 177.302 176.870 0.009 0.000 1.149 491 L CA 0.766 55.607 54.840 0.001 0.000 0.872 491 L CB -0.368 41.698 42.059 0.013 0.000 0.992 491 L HN 0.390 nan 8.230 nan 0.000 0.447 492 E N 0.011 120.220 120.200 0.014 0.000 2.274 492 E HA 0.541 4.906 4.350 0.025 0.000 0.269 492 E C -1.367 175.255 176.600 0.037 0.000 0.891 492 E CA -0.377 56.041 56.400 0.029 0.000 0.784 492 E CB 2.691 32.413 29.700 0.038 0.000 1.225 492 E HN -0.157 nan 8.360 nan 0.000 0.412 493 V N 1.114 121.047 119.914 0.032 0.000 3.007 493 V HA 0.507 4.642 4.120 0.025 0.000 0.311 493 V C -0.534 175.613 176.094 0.087 0.000 1.120 493 V CA -1.186 61.140 62.300 0.042 0.000 0.980 493 V CB 2.312 34.067 31.823 -0.113 0.000 1.033 493 V HN 0.577 nan 8.190 nan 0.000 0.429 494 N N 2.109 120.891 118.700 0.136 0.000 2.342 494 N HA 0.728 5.482 4.740 0.025 0.000 0.293 494 N C -1.345 174.216 175.510 0.085 0.000 1.026 494 N CA -0.297 52.849 53.050 0.161 0.000 0.857 494 N CB 2.555 41.147 38.487 0.174 0.000 1.256 494 N HN 0.661 nan 8.380 nan 0.000 0.484 495 I N 1.793 122.362 120.570 -0.002 0.000 2.478 495 I HA 0.297 4.482 4.170 0.025 0.000 0.287 495 I C -0.549 175.498 176.117 -0.118 0.000 1.042 495 I CA -0.913 60.356 61.300 -0.052 0.000 1.067 495 I CB 2.214 40.169 38.000 -0.074 0.000 1.233 495 I HN -0.026 nan 8.210 nan 0.000 0.431 496 V N 4.845 124.653 119.914 -0.176 0.000 2.398 496 V HA 0.595 4.730 4.120 0.025 0.000 0.286 496 V C 0.022 176.061 176.094 -0.093 0.000 1.026 496 V CA -0.220 61.953 62.300 -0.211 0.000 0.868 496 V CB 1.695 33.234 31.823 -0.473 0.000 0.982 496 V HN 0.817 nan 8.190 nan 0.000 0.443 497 T N 1.754 116.274 114.554 -0.057 0.000 2.883 497 T HA 0.424 4.789 4.350 0.025 0.000 0.301 497 T C -0.348 174.299 174.700 -0.088 0.000 1.158 497 T CA -0.302 61.796 62.100 -0.003 0.000 1.007 497 T CB 1.856 70.770 68.868 0.077 0.000 1.186 497 T HN 0.867 nan 8.240 nan 0.000 0.499 498 D N 0.581 120.938 120.400 -0.072 0.000 2.395 498 D HA 0.227 4.882 4.640 0.025 0.000 0.213 498 D C 0.463 176.895 176.300 0.220 0.000 1.110 498 D CA -0.209 53.666 54.000 -0.208 0.000 0.835 498 D CB 0.247 40.935 40.800 -0.187 0.000 0.965 498 D HN 0.263 nan 8.370 nan 0.000 0.505 499 S N 0.605 116.483 115.700 0.297 0.000 2.465 499 S HA -0.010 4.474 4.470 0.025 0.000 0.280 499 S C 1.314 176.155 174.600 0.403 0.000 1.232 499 S CA -0.396 57.994 58.200 0.316 0.000 1.066 499 S CB 0.593 63.928 63.200 0.224 0.000 0.929 499 S HN 0.103 nan 8.310 nan 0.000 0.494 500 Q N 3.721 123.709 119.800 0.314 0.000 2.135 500 Q HA -0.187 4.168 4.340 0.025 0.000 0.204 500 Q C 1.306 177.286 176.000 -0.034 0.000 0.981 500 Q CA 1.774 57.615 55.803 0.063 0.000 0.856 500 Q CB -0.409 28.360 28.738 0.050 0.000 0.902 500 Q HN 0.985 nan 8.270 nan 0.000 0.425 501 Y N 0.957 121.245 120.300 -0.020 0.000 2.097 501 Y HA -0.295 4.269 4.550 0.024 0.000 0.282 501 Y C 2.306 178.178 175.900 -0.047 0.000 1.152 501 Y CA 1.867 59.937 58.100 -0.049 0.000 1.136 501 Y CB -0.407 38.032 38.460 -0.035 0.000 0.975 501 Y HN 0.141 nan 8.280 nan 0.000 0.498 502 A N 0.055 122.981 122.820 0.177 0.000 1.917 502 A HA -0.275 4.060 4.320 0.025 0.000 0.219 502 A C 2.175 179.738 177.584 -0.036 0.000 1.182 502 A CA 1.935 54.041 52.037 0.114 0.000 0.633 502 A CB -1.374 17.732 19.000 0.176 0.000 0.819 502 A HN 0.561 nan 8.150 nan 0.000 0.448 503 L N 0.073 121.214 121.223 -0.136 0.000 2.129 503 L HA -0.140 4.215 4.340 0.025 0.000 0.212 503 L C 2.352 179.059 176.870 -0.271 0.000 1.087 503 L CA 2.181 56.837 54.840 -0.306 0.000 0.757 503 L CB -0.852 40.784 42.059 -0.706 0.000 0.896 503 L HN 0.345 nan 8.230 nan 0.000 0.434 504 G N -0.792 107.826 108.800 -0.305 0.000 2.394 504 G HA2 -0.203 3.772 3.960 0.025 0.000 0.215 504 G HA3 -0.203 3.772 3.960 0.025 0.000 0.215 504 G C 1.625 176.425 174.900 -0.167 0.000 1.165 504 G CA 0.878 45.791 45.100 -0.313 0.000 0.784 504 G HN 0.452 nan 8.290 nan 0.000 0.535 505 I N 0.618 121.109 120.570 -0.132 0.000 2.286 505 I HA -0.121 4.064 4.170 0.025 0.000 0.248 505 I C 2.590 178.764 176.117 0.095 0.000 1.115 505 I CA 0.670 61.998 61.300 0.047 0.000 1.392 505 I CB -0.132 37.926 38.000 0.097 0.000 1.065 505 I HN 0.168 nan 8.210 nan 0.000 0.418 506 I N 0.221 120.805 120.570 0.024 0.000 2.179 506 I HA -0.335 3.850 4.170 0.025 0.000 0.242 506 I C 2.688 178.826 176.117 0.036 0.000 1.088 506 I CA 1.506 62.825 61.300 0.031 0.000 1.357 506 I CB -0.465 37.520 38.000 -0.026 0.000 1.051 506 I HN 0.339 nan 8.210 nan 0.000 0.409 507 Q N 0.912 120.696 119.800 -0.027 0.000 2.079 507 Q HA -0.188 4.167 4.340 0.025 0.000 0.200 507 Q C 2.105 178.176 176.000 0.117 0.000 0.974 507 Q CA 1.982 57.764 55.803 -0.036 0.000 0.840 507 Q CB 0.029 28.637 28.738 -0.217 0.000 0.898 507 Q HN 0.551 nan 8.270 nan 0.000 0.430 508 A N -0.570 122.363 122.820 0.188 0.000 2.085 508 A HA 0.077 4.412 4.320 0.025 0.000 0.208 508 A C 0.301 178.123 177.584 0.397 0.000 1.191 508 A CA 0.220 52.520 52.037 0.439 0.000 0.799 508 A CB 0.298 19.561 19.000 0.437 0.000 0.877 508 A HN 0.481 nan 8.150 nan 0.000 0.473 509 Q N -0.152 119.822 119.800 0.290 0.000 2.447 509 Q HA -0.120 4.235 4.340 0.025 0.000 0.348 509 Q C -2.263 173.899 176.000 0.271 0.000 1.421 509 Q CA 0.355 56.325 55.803 0.278 0.000 0.978 509 Q CB -1.571 27.226 28.738 0.098 0.000 1.191 509 Q HN 0.595 nan 8.270 nan 0.000 0.371 510 P HA -0.043 nan 4.420 nan 0.000 0.270 510 P C -0.082 177.422 177.300 0.339 0.000 1.223 510 P CA 0.529 63.825 63.100 0.327 0.000 0.785 510 P CB 0.641 32.571 31.700 0.383 0.000 0.923 511 D N -0.921 119.627 120.400 0.247 0.000 2.513 511 D HA 0.088 4.743 4.640 0.025 0.000 0.222 511 D C 0.065 176.389 176.300 0.040 0.000 1.210 511 D CA -0.190 53.922 54.000 0.187 0.000 0.825 511 D CB 0.138 41.052 40.800 0.190 0.000 1.037 511 D HN 0.507 nan 8.370 nan 0.000 0.506 512 Q N -1.463 118.399 119.800 0.104 0.000 2.468 512 Q HA 0.538 4.893 4.340 0.025 0.000 0.263 512 Q C -1.729 174.351 176.000 0.134 0.000 0.979 512 Q CA -0.891 54.951 55.803 0.065 0.000 0.932 512 Q CB 1.591 30.350 28.738 0.035 0.000 1.462 512 Q HN -0.025 nan 8.270 nan 0.000 0.403 513 S N 0.373 116.137 115.700 0.106 0.000 2.705 513 S HA 0.402 4.887 4.470 0.025 0.000 0.280 513 S C -0.545 174.103 174.600 0.080 0.000 1.174 513 S CA 0.091 58.375 58.200 0.140 0.000 0.823 513 S CB 1.668 64.955 63.200 0.144 0.000 1.162 513 S HN 0.804 nan 8.310 nan 0.000 0.487 514 E N 0.416 120.666 120.200 0.083 0.000 2.415 514 E HA 0.278 4.643 4.350 0.025 0.000 0.197 514 E C 0.448 177.056 176.600 0.012 0.000 1.007 514 E CA 0.160 56.588 56.400 0.047 0.000 0.890 514 E CB -0.001 29.735 29.700 0.061 0.000 0.891 514 E HN 0.251 nan 8.360 nan 0.000 0.496 515 S N 0.673 116.373 115.700 0.001 0.000 2.474 515 S HA 0.090 4.575 4.470 0.025 0.000 0.276 515 S C 0.901 175.463 174.600 -0.064 0.000 1.227 515 S CA -0.504 57.668 58.200 -0.047 0.000 1.050 515 S CB 0.995 64.141 63.200 -0.089 0.000 0.939 515 S HN 0.233 nan 8.310 nan 0.000 0.490 516 E N 4.345 124.500 120.200 -0.075 0.000 2.209 516 E HA -0.109 4.255 4.350 0.025 0.000 0.196 516 E C 1.513 178.028 176.600 -0.142 0.000 0.993 516 E CA 1.325 57.669 56.400 -0.093 0.000 0.819 516 E CB -0.167 29.480 29.700 -0.088 0.000 0.745 516 E HN 0.817 nan 8.360 nan 0.000 0.477 517 L N -0.730 120.398 121.223 -0.158 0.000 2.049 517 L HA -0.110 4.244 4.340 0.025 0.000 0.203 517 L C 2.157 178.913 176.870 -0.190 0.000 1.074 517 L CA 0.952 55.662 54.840 -0.216 0.000 0.749 517 L CB -0.230 41.713 42.059 -0.194 0.000 0.907 517 L HN 0.105 nan 8.230 nan 0.000 0.439 518 V N 0.528 120.362 119.914 -0.133 0.000 2.392 518 V HA -0.311 3.824 4.120 0.025 0.000 0.249 518 V C 2.146 178.217 176.094 -0.038 0.000 1.059 518 V CA 2.000 64.266 62.300 -0.057 0.000 1.051 518 V CB -0.965 30.857 31.823 -0.002 0.000 0.658 518 V HN 0.514 nan 8.190 nan 0.000 0.455 519 N N 0.121 118.785 118.700 -0.060 0.000 2.166 519 N HA -0.168 4.587 4.740 0.025 0.000 0.186 519 N C 1.926 177.382 175.510 -0.090 0.000 1.019 519 N CA 1.263 54.278 53.050 -0.059 0.000 0.856 519 N CB -0.328 38.120 38.487 -0.065 0.000 0.993 519 N HN 0.621 nan 8.380 nan 0.000 0.426 520 Q N 0.026 119.726 119.800 -0.166 0.000 2.119 520 Q HA 0.054 4.408 4.340 0.025 0.000 0.201 520 Q C 1.950 177.913 176.000 -0.062 0.000 0.972 520 Q CA 0.789 56.458 55.803 -0.224 0.000 0.847 520 Q CB -0.009 28.356 28.738 -0.621 0.000 0.903 520 Q HN 0.403 nan 8.270 nan 0.000 0.433 521 I N 0.480 121.019 120.570 -0.051 0.000 2.315 521 I HA -0.263 3.922 4.170 0.025 0.000 0.248 521 I C 2.110 178.225 176.117 -0.004 0.000 1.117 521 I CA 1.040 62.389 61.300 0.083 0.000 1.404 521 I CB -0.175 37.858 38.000 0.055 0.000 1.071 521 I HN 0.216 nan 8.210 nan 0.000 0.419 522 I N 0.471 121.023 120.570 -0.029 0.000 2.226 522 I HA -0.246 3.939 4.170 0.025 0.000 0.245 522 I C 2.479 178.548 176.117 -0.081 0.000 1.100 522 I CA 1.145 62.406 61.300 -0.066 0.000 1.374 522 I CB -0.397 37.613 38.000 0.017 0.000 1.057 522 I HN 0.237 nan 8.210 nan 0.000 0.413 523 E N 0.540 120.716 120.200 -0.040 0.000 2.110 523 E HA -0.205 4.159 4.350 0.025 0.000 0.193 523 E C 2.170 178.766 176.600 -0.007 0.000 0.988 523 E CA 0.986 57.372 56.400 -0.024 0.000 0.804 523 E CB -0.328 29.365 29.700 -0.011 0.000 0.745 523 E HN 0.497 nan 8.360 nan 0.000 0.458 524 Q N 0.446 120.254 119.800 0.013 0.000 2.046 524 Q HA -0.025 4.330 4.340 0.025 0.000 0.200 524 Q C 2.598 178.548 176.000 -0.083 0.000 0.975 524 Q CA 0.620 56.413 55.803 -0.017 0.000 0.836 524 Q CB -0.462 28.275 28.738 -0.002 0.000 0.896 524 Q HN 0.323 nan 8.270 nan 0.000 0.428 525 L N 0.370 121.497 121.223 -0.161 0.000 1.990 525 L HA -0.243 4.112 4.340 0.025 0.000 0.213 525 L C 2.453 179.193 176.870 -0.217 0.000 1.072 525 L CA 1.281 55.936 54.840 -0.308 0.000 0.755 525 L CB -0.600 41.042 42.059 -0.696 0.000 0.889 525 L HN 0.219 nan 8.230 nan 0.000 0.432 526 I N -0.450 120.038 120.570 -0.138 0.000 2.335 526 I HA -0.319 3.866 4.170 0.025 0.000 0.251 526 I C 2.451 178.630 176.117 0.102 0.000 1.129 526 I CA 1.304 62.668 61.300 0.106 0.000 1.402 526 I CB -0.271 37.844 38.000 0.191 0.000 1.069 526 I HN 0.215 nan 8.210 nan 0.000 0.424 527 K N 0.779 121.202 120.400 0.039 0.000 2.217 527 K HA -0.023 4.312 4.320 0.025 0.000 0.202 527 K C 0.681 177.297 176.600 0.026 0.000 1.051 527 K CA 0.647 56.956 56.287 0.037 0.000 0.952 527 K CB 0.182 32.690 32.500 0.014 0.000 0.736 527 K HN 0.042 nan 8.250 nan 0.000 0.453 528 K N 0.697 121.100 120.400 0.005 0.000 2.230 528 K HA -0.015 4.320 4.320 0.025 0.000 0.253 528 K C 0.624 177.248 176.600 0.040 0.000 1.008 528 K CA 0.406 56.696 56.287 0.005 0.000 0.910 528 K CB 0.651 33.141 32.500 -0.018 0.000 0.994 528 K HN 0.121 nan 8.250 nan 0.000 0.495 529 E N 0.817 121.039 120.200 0.037 0.000 2.140 529 E HA -0.014 4.351 4.350 0.025 0.000 0.191 529 E C -0.328 176.309 176.600 0.061 0.000 0.973 529 E CA 0.927 57.356 56.400 0.050 0.000 0.829 529 E CB 0.431 30.154 29.700 0.038 0.000 0.781 529 E HN 0.305 nan 8.360 nan 0.000 0.466 530 K N 0.260 120.693 120.400 0.055 0.000 2.525 530 K HA 0.455 4.790 4.320 0.025 0.000 0.254 530 K C -1.809 174.833 176.600 0.068 0.000 0.934 530 K CA -0.468 55.862 56.287 0.071 0.000 0.802 530 K CB 3.353 35.889 32.500 0.061 0.000 1.295 530 K HN -0.148 nan 8.250 nan 0.000 0.433 531 V N 3.544 123.517 119.914 0.098 0.000 2.777 531 V HA 0.475 4.610 4.120 0.025 0.000 0.306 531 V C -2.185 174.011 176.094 0.170 0.000 1.112 531 V CA -0.547 61.806 62.300 0.089 0.000 0.917 531 V CB 1.593 33.426 31.823 0.018 0.000 1.018 531 V HN 0.769 nan 8.190 nan 0.000 0.426 532 Y N 6.847 127.160 120.300 0.021 0.000 2.328 532 Y HA 0.774 5.338 4.550 0.024 0.000 0.333 532 Y C -1.206 174.708 175.900 0.023 0.000 0.958 532 Y CA -1.030 57.089 58.100 0.031 0.000 1.167 532 Y CB 1.745 40.220 38.460 0.025 0.000 1.151 532 Y HN 0.638 nan 8.280 nan 0.000 0.470 533 L N 5.994 126.955 121.223 -0.437 0.000 2.272 533 L HA 0.783 5.137 4.340 0.025 0.000 0.289 533 L C -0.442 176.070 176.870 -0.596 0.000 1.032 533 L CA -0.419 54.203 54.840 -0.362 0.000 0.810 533 L CB 1.323 43.296 42.059 -0.143 0.000 1.205 533 L HN 0.785 nan 8.230 nan 0.000 0.422 534 A N 3.550 126.123 122.820 -0.413 0.000 2.343 534 A HA 0.607 4.941 4.320 0.025 0.000 0.316 534 A C -1.676 175.892 177.584 -0.027 0.000 1.104 534 A CA -0.525 51.353 52.037 -0.266 0.000 0.768 534 A CB 0.649 19.537 19.000 -0.186 0.000 1.213 534 A HN 0.708 nan 8.150 nan 0.000 0.456 535 W N 3.195 124.427 121.300 -0.114 0.000 2.496 535 W HA 0.591 5.266 4.660 0.024 0.000 0.327 535 W C -0.742 175.761 176.519 -0.027 0.000 1.086 535 W CA -0.332 56.978 57.345 -0.059 0.000 1.222 535 W CB 1.748 31.177 29.460 -0.052 0.000 1.304 535 W HN 0.916 nan 8.180 nan 0.000 0.547 536 V N 4.455 123.778 119.914 -0.985 0.000 2.808 536 V HA 0.636 4.771 4.120 0.025 0.000 0.308 536 V C -2.458 172.764 176.094 -1.454 0.000 1.099 536 V CA -2.753 58.991 62.300 -0.927 0.000 0.920 536 V CB 1.521 33.112 31.823 -0.387 0.000 1.014 536 V HN 0.578 nan 8.190 nan 0.000 0.425 537 P HA 0.230 nan 4.420 nan 0.000 0.266 537 P C -0.039 177.038 177.300 -0.371 0.000 1.193 537 P CA 0.592 63.248 63.100 -0.740 0.000 0.770 537 P CB 0.878 32.413 31.700 -0.274 0.000 0.836 538 A N 0.000 122.719 122.820 -0.168 0.000 2.254 538 A HA 0.000 4.335 4.320 0.025 0.000 0.244 538 A CA 0.000 51.989 52.037 -0.080 0.000 0.836 538 A CB 0.000 18.992 19.000 -0.013 0.000 0.831 538 A HN 0.000 nan 8.150 nan 0.000 0.486