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 1bqm_1_A DATA FIRST_RESID 1 DATA SEQUENCE PISPIETVPV KLKPGMDGPK VKQWPLTEEK IKALVEICTE MEKEGKISKI DATA SEQUENCE GPENPYNTPV FAIKKKDSTK WRKLVDFREL NKRTQDFWEV QLGIPHPAGL DATA SEQUENCE KKKKSVTVLD VGDAYFSVPL DEDFRKYTAF TIPSINNETP GIRYQYNVLP DATA SEQUENCE QGWKGSPAIF QSSMTKILEP FKKQNPDIVI YQYMDDLYVG SDLEIGQHRT DATA SEQUENCE KIEELRQHLL RWGLTTPDKK HQKEPPFLWM GYELHPDKWT VQPIVLPEKD DATA SEQUENCE SWTVNDIQKL VGKLNWASQI YPGIKVRQLS KLLRGTKALT EVIPLTEEAE DATA SEQUENCE LELAENREIL KEPVHGVYYD PSKDLIAEIQ KQGQGQWTYQ IYQEPFKNLK DATA SEQUENCE TGKYARMRGA HTNDVKQLTE AVQKITTESI VIWGKTPKFK LPIQKETWET DATA SEQUENCE WWTEYWQATW IPEWEFVNTP PLVKLWYQLE KEPIVGAETF YVDGAANRET DATA SEQUENCE KLGKAGYVTN KGRQKVVPLT NTTNQKTELQ AIYLALQDSG LEVNIVTDSQ DATA SEQUENCE YALGIIQAQP DKSESELVNQ IIEQLIKKEK VYLAWVPAHK GIGGNEQVDK DATA SEQUENCE LVSAGI 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 0.000 177.358 177.300 0.097 0.000 1.155 1 P CA 0.000 63.152 63.100 0.086 0.000 0.800 1 P CB 0.000 31.745 31.700 0.075 0.000 0.726 2 I N -1.175 119.452 120.570 0.095 0.000 3.017 2 I HA 0.133 4.303 4.170 0.000 0.000 0.310 2 I C 0.440 176.614 176.117 0.095 0.000 1.220 2 I CA 0.371 61.726 61.300 0.091 0.000 1.450 2 I CB 0.310 38.355 38.000 0.075 0.000 1.317 2 I HN 0.273 nan 8.210 nan 0.000 0.570 3 S N 6.268 122.029 115.700 0.101 0.000 2.617 3 S HA 0.567 5.037 4.470 0.000 0.000 0.283 3 S C -1.752 172.934 174.600 0.143 0.000 1.189 3 S CA -1.372 56.910 58.200 0.137 0.000 1.036 3 S CB 1.307 64.577 63.200 0.116 0.000 1.014 3 S HN 0.758 nan 8.310 nan 0.000 0.522 4 P HA 0.295 nan 4.420 nan 0.000 0.240 4 P C -0.516 176.954 177.300 0.283 0.000 1.854 4 P CA -0.231 62.991 63.100 0.203 0.000 1.081 4 P CB -0.334 31.470 31.700 0.172 0.000 1.646 5 I N -0.071 120.602 120.570 0.171 0.000 2.499 5 I HA 0.253 4.423 4.170 0.000 0.000 0.296 5 I C -0.029 176.088 176.117 0.000 0.000 0.992 5 I CA -0.970 60.346 61.300 0.025 0.000 1.297 5 I CB 1.049 38.925 38.000 -0.206 0.000 1.410 5 I HN -0.226 nan 8.210 nan 0.000 0.507 6 E N 4.373 124.559 120.200 -0.022 0.000 2.491 6 E HA 0.051 4.401 4.350 0.000 0.000 0.250 6 E C 0.043 176.625 176.600 -0.031 0.000 1.061 6 E CA 0.350 56.743 56.400 -0.013 0.000 0.942 6 E CB -0.256 29.433 29.700 -0.020 0.000 0.957 6 E HN 0.602 nan 8.360 nan 0.000 0.480 7 T N 1.711 116.260 114.554 -0.008 0.000 2.813 7 T HA 0.280 4.630 4.350 0.000 0.000 0.297 7 T C -0.060 174.640 174.700 0.000 0.000 1.036 7 T CA -0.781 61.313 62.100 -0.010 0.000 1.044 7 T CB 0.532 69.402 68.868 0.004 0.000 0.993 7 T HN 0.152 nan 8.240 nan 0.000 0.535 8 V N 5.820 125.739 119.914 0.009 0.000 2.483 8 V HA 0.466 4.586 4.120 0.000 0.000 0.295 8 V C -1.937 174.192 176.094 0.058 0.000 1.035 8 V CA -1.859 60.463 62.300 0.036 0.000 0.896 8 V CB 1.569 33.425 31.823 0.055 0.000 0.986 8 V HN 0.839 nan 8.190 nan 0.000 0.447 9 P HA 0.233 nan 4.420 nan 0.000 0.279 9 P C -0.764 176.574 177.300 0.064 0.000 1.318 9 P CA 0.082 63.222 63.100 0.067 0.000 0.819 9 P CB 1.077 32.806 31.700 0.048 0.000 0.927 10 V N 4.956 124.915 119.914 0.074 0.000 2.612 10 V HA 0.464 4.584 4.120 0.000 0.000 0.301 10 V C 0.564 176.790 176.094 0.221 0.000 1.046 10 V CA -0.368 61.944 62.300 0.020 0.000 0.946 10 V CB 1.900 33.542 31.823 -0.302 0.000 1.003 10 V HN 0.483 nan 8.190 nan 0.000 0.459 11 K N 2.459 122.957 120.400 0.162 0.000 2.480 11 K HA 0.730 5.050 4.320 0.000 0.000 0.258 11 K C -1.687 174.994 176.600 0.135 0.000 0.990 11 K CA -0.850 55.547 56.287 0.184 0.000 0.857 11 K CB 2.438 34.969 32.500 0.052 0.000 1.384 11 K HN 0.446 nan 8.250 nan 0.000 0.446 12 L N 1.858 123.094 121.223 0.021 0.000 2.325 12 L HA 0.451 4.791 4.340 0.000 0.000 0.278 12 L C -0.258 176.584 176.870 -0.047 0.000 1.023 12 L CA -0.939 53.873 54.840 -0.046 0.000 0.811 12 L CB 1.372 43.315 42.059 -0.194 0.000 1.249 12 L HN 0.419 nan 8.230 nan 0.000 0.431 13 K N 3.394 123.768 120.400 -0.044 0.000 2.530 13 K HA 0.015 4.335 4.320 0.000 0.000 0.280 13 K C -2.149 174.435 176.600 -0.027 0.000 1.004 13 K CA -0.956 55.309 56.287 -0.038 0.000 1.071 13 K CB -0.102 32.378 32.500 -0.032 0.000 0.876 13 K HN 0.326 nan 8.250 nan 0.000 0.487 14 P HA -0.128 nan 4.420 nan 0.000 0.265 14 P C 0.646 177.943 177.300 -0.005 0.000 1.187 14 P CA 0.789 63.884 63.100 -0.009 0.000 0.766 14 P CB 0.839 32.535 31.700 -0.008 0.000 0.820 15 G N 1.536 110.338 108.800 0.003 0.000 2.254 15 G HA2 -0.235 3.725 3.960 0.000 0.000 0.225 15 G HA3 -0.235 3.725 3.960 0.000 0.000 0.225 15 G C 0.180 175.086 174.900 0.011 0.000 1.003 15 G CA 0.137 45.242 45.100 0.008 0.000 0.622 15 G HN 0.502 nan 8.290 nan 0.000 0.507 16 M N 0.207 119.809 119.600 0.003 0.000 2.527 16 M HA 0.668 5.148 4.480 0.000 0.000 0.283 16 M C -0.226 176.079 176.300 0.010 0.000 1.188 16 M CA -0.431 54.873 55.300 0.005 0.000 0.941 16 M CB 1.410 34.005 32.600 -0.008 0.000 1.498 16 M HN 0.223 nan 8.290 nan 0.000 0.510 17 D N -1.015 119.402 120.400 0.029 0.000 2.602 17 D HA 0.485 5.125 4.640 0.000 0.000 0.236 17 D C -0.648 175.712 176.300 0.101 0.000 1.209 17 D CA -0.304 53.751 54.000 0.090 0.000 0.831 17 D CB 1.518 42.428 40.800 0.182 0.000 1.478 17 D HN 0.670 nan 8.370 nan 0.000 0.438 18 G N 1.087 110.003 108.800 0.193 0.000 2.630 18 G HA2 0.342 4.302 3.960 0.000 0.000 0.236 18 G HA3 0.342 4.302 3.960 0.000 0.000 0.236 18 G C -2.122 173.029 174.900 0.418 0.000 1.248 18 G CA -0.720 44.519 45.100 0.232 0.000 0.844 18 G HN 0.441 nan 8.290 nan 0.000 0.588 19 P HA 0.255 nan 4.420 nan 0.000 0.272 19 P C -0.984 176.501 177.300 0.309 0.000 1.240 19 P CA -0.099 63.157 63.100 0.259 0.000 0.791 19 P CB 0.882 32.711 31.700 0.215 0.000 0.978 20 K N -0.011 120.495 120.400 0.177 0.000 2.589 20 K HA 0.573 4.893 4.320 0.000 0.000 0.253 20 K C -1.022 175.629 176.600 0.085 0.000 0.974 20 K CA -0.833 55.528 56.287 0.125 0.000 0.835 20 K CB 1.357 33.865 32.500 0.014 0.000 1.272 20 K HN 0.146 nan 8.250 nan 0.000 0.444 21 V N 0.888 120.856 119.914 0.089 0.000 4.306 21 V HA 0.613 4.733 4.120 0.000 0.000 0.303 21 V C -1.100 175.032 176.094 0.065 0.000 1.454 21 V CA -1.041 61.300 62.300 0.069 0.000 0.910 21 V CB 1.830 33.695 31.823 0.071 0.000 1.241 21 V HN 0.752 nan 8.190 nan 0.000 0.466 22 K N 1.611 122.049 120.400 0.064 0.000 2.545 22 K HA 0.221 4.541 4.320 0.000 0.000 0.287 22 K C -1.472 175.166 176.600 0.063 0.000 1.074 22 K CA -0.358 55.966 56.287 0.062 0.000 1.048 22 K CB 2.033 34.560 32.500 0.045 0.000 1.384 22 K HN 0.896 nan 8.250 nan 0.000 0.440 23 Q N 0.059 119.904 119.800 0.075 0.000 2.249 23 Q HA 0.378 4.718 4.340 0.000 0.000 0.226 23 Q C 0.089 176.126 176.000 0.062 0.000 0.983 23 Q CA -0.616 55.233 55.803 0.076 0.000 0.930 23 Q CB 0.442 29.238 28.738 0.096 0.000 1.193 23 Q HN 0.619 nan 8.270 nan 0.000 0.508 24 W N 1.173 122.509 121.300 0.059 0.000 2.858 24 W HA 0.269 4.929 4.660 0.000 0.000 0.382 24 W C -2.096 174.443 176.519 0.033 0.000 1.324 24 W CA -1.767 55.602 57.345 0.040 0.000 1.444 24 W CB -1.681 27.799 29.460 0.033 0.000 1.577 24 W HN 0.603 nan 8.180 nan 0.000 0.532 25 P HA 0.233 nan 4.420 nan 0.000 0.255 25 P C 0.672 177.983 177.300 0.018 0.000 1.151 25 P CA 1.123 64.239 63.100 0.027 0.000 0.767 25 P CB -0.102 31.612 31.700 0.022 0.000 0.736 26 L N 2.049 123.284 121.223 0.021 0.000 2.431 26 L HA 0.916 5.257 4.340 0.000 0.000 0.260 26 L C 0.944 177.820 176.870 0.010 0.000 1.098 26 L CA 0.007 54.853 54.840 0.010 0.000 0.800 26 L CB -0.546 41.521 42.059 0.013 0.000 1.210 26 L HN 0.543 nan 8.230 nan 0.000 0.465 27 T N -1.577 112.979 114.554 0.003 0.000 2.949 27 T HA 0.567 4.917 4.350 0.000 0.000 0.287 27 T C 1.023 175.726 174.700 0.005 0.000 1.034 27 T CA 0.244 62.347 62.100 0.004 0.000 1.018 27 T CB 0.475 69.343 68.868 -0.000 0.000 1.135 27 T HN 1.029 nan 8.240 nan 0.000 0.532 28 E N 1.056 121.260 120.200 0.006 0.000 2.675 28 E HA -0.393 3.957 4.350 0.000 0.000 0.244 28 E C 1.590 178.195 176.600 0.007 0.000 0.956 28 E CA 2.591 58.996 56.400 0.007 0.000 1.237 28 E CB -0.957 28.745 29.700 0.005 0.000 1.217 28 E HN 0.872 nan 8.360 nan 0.000 0.503 29 E N 1.182 121.384 120.200 0.002 0.000 2.085 29 E HA -0.183 4.167 4.350 0.000 0.000 0.194 29 E C 1.776 178.376 176.600 0.001 0.000 0.994 29 E CA 1.604 58.005 56.400 0.001 0.000 0.801 29 E CB -0.317 29.381 29.700 -0.003 0.000 0.743 29 E HN 0.160 nan 8.360 nan 0.000 0.453 30 K N 0.431 120.830 120.400 -0.002 0.000 2.097 30 K HA 0.001 4.321 4.320 0.000 0.000 0.206 30 K C 2.171 178.779 176.600 0.012 0.000 1.049 30 K CA 1.207 57.492 56.287 -0.002 0.000 0.933 30 K CB -0.271 32.222 32.500 -0.011 0.000 0.717 30 K HN 0.333 nan 8.250 nan 0.000 0.442 31 I N 0.650 121.231 120.570 0.018 0.000 2.546 31 I HA -0.170 4.000 4.170 0.000 0.000 0.255 31 I C 2.155 178.291 176.117 0.030 0.000 1.163 31 I CA 0.687 62.006 61.300 0.032 0.000 1.457 31 I CB -0.166 37.855 38.000 0.035 0.000 1.092 31 I HN -0.036 nan 8.210 nan 0.000 0.434 32 K N 1.337 121.749 120.400 0.020 0.000 2.288 32 K HA 0.033 4.354 4.320 0.000 0.000 0.201 32 K C 1.934 178.543 176.600 0.015 0.000 1.048 32 K CA 1.001 57.299 56.287 0.018 0.000 0.956 32 K CB 0.064 32.571 32.500 0.012 0.000 0.746 32 K HN 0.297 nan 8.250 nan 0.000 0.461 33 A N 0.147 122.975 122.820 0.012 0.000 2.178 33 A HA 0.095 4.415 4.320 0.000 0.000 0.211 33 A C 1.865 179.455 177.584 0.011 0.000 1.157 33 A CA 0.409 52.451 52.037 0.008 0.000 0.780 33 A CB 0.012 19.013 19.000 0.003 0.000 0.828 33 A HN 0.139 nan 8.150 nan 0.000 0.476 34 L N -1.490 119.747 121.223 0.023 0.000 2.467 34 L HA 0.037 4.377 4.340 0.000 0.000 0.213 34 L C 2.157 179.043 176.870 0.026 0.000 1.053 34 L CA 0.349 55.207 54.840 0.031 0.000 0.847 34 L CB -0.170 41.925 42.059 0.060 0.000 1.075 34 L HN 0.152 nan 8.230 nan 0.000 0.479 35 V N -0.176 119.762 119.914 0.040 0.000 2.427 35 V HA -0.203 3.917 4.120 0.000 0.000 0.248 35 V C 2.511 178.624 176.094 0.031 0.000 1.051 35 V CA 1.504 63.836 62.300 0.052 0.000 1.048 35 V CB -0.387 31.471 31.823 0.057 0.000 0.666 35 V HN 0.384 nan 8.190 nan 0.000 0.456 36 E N 0.295 120.505 120.200 0.018 0.000 2.031 36 E HA -0.185 4.165 4.350 0.000 0.000 0.193 36 E C 2.133 178.730 176.600 -0.005 0.000 0.994 36 E CA 1.494 57.899 56.400 0.009 0.000 0.800 36 E CB -0.173 29.530 29.700 0.005 0.000 0.752 36 E HN 0.518 nan 8.360 nan 0.000 0.447 37 I N 0.364 120.924 120.570 -0.017 0.000 2.202 37 I HA -0.266 3.904 4.170 0.000 0.000 0.242 37 I C 2.744 178.823 176.117 -0.064 0.000 1.091 37 I CA 0.794 62.072 61.300 -0.037 0.000 1.368 37 I CB -0.746 37.230 38.000 -0.039 0.000 1.058 37 I HN 0.149 nan 8.210 nan 0.000 0.410 38 C N 0.033 119.273 119.300 -0.100 0.000 2.425 38 C HA -0.142 4.318 4.460 0.000 0.000 0.277 38 C C 2.555 177.439 174.990 -0.177 0.000 1.280 38 C CA 1.633 60.495 59.018 -0.259 0.000 1.744 38 C CB -1.216 26.231 27.740 -0.487 0.000 1.989 38 C HN 0.502 nan 8.230 nan 0.000 0.491 39 T N -0.498 114.052 114.554 -0.005 0.000 3.194 39 T HA -0.025 4.325 4.350 0.000 0.000 0.251 39 T C 1.288 176.022 174.700 0.055 0.000 1.132 39 T CA 0.687 62.845 62.100 0.096 0.000 1.028 39 T CB -0.209 68.727 68.868 0.114 0.000 0.976 39 T HN 0.570 nan 8.240 nan 0.000 0.535 40 E N -0.163 120.048 120.200 0.018 0.000 2.676 40 E HA 0.276 4.626 4.350 0.000 0.000 0.225 40 E C 1.224 177.829 176.600 0.007 0.000 0.944 40 E CA -0.041 56.368 56.400 0.015 0.000 1.156 40 E CB 0.336 30.039 29.700 0.005 0.000 1.117 40 E HN 0.422 nan 8.360 nan 0.000 0.523 41 M N 0.351 119.947 119.600 -0.007 0.000 2.534 41 M HA 0.042 4.522 4.480 0.000 0.000 0.263 41 M C 1.876 178.196 176.300 0.034 0.000 1.152 41 M CA 0.811 56.109 55.300 -0.004 0.000 1.145 41 M CB 0.412 32.984 32.600 -0.047 0.000 1.333 41 M HN -0.072 nan 8.290 nan 0.000 0.477 42 E N 0.687 120.919 120.200 0.053 0.000 2.158 42 E HA -0.159 4.191 4.350 0.000 0.000 0.191 42 E C 1.366 178.012 176.600 0.078 0.000 0.982 42 E CA 0.912 57.377 56.400 0.108 0.000 0.823 42 E CB 0.066 29.898 29.700 0.219 0.000 0.766 42 E HN 0.501 nan 8.360 nan 0.000 0.468 43 K N 0.417 120.853 120.400 0.061 0.000 2.148 43 K HA -0.082 4.239 4.320 0.000 0.000 0.204 43 K C 1.578 178.204 176.600 0.044 0.000 1.050 43 K CA 1.202 57.517 56.287 0.046 0.000 0.942 43 K CB 0.039 32.561 32.500 0.036 0.000 0.724 43 K HN 0.175 nan 8.250 nan 0.000 0.446 44 E N -0.143 120.085 120.200 0.047 0.000 2.437 44 E HA 0.043 4.393 4.350 0.000 0.000 0.189 44 E C 0.480 177.121 176.600 0.068 0.000 1.054 44 E CA 0.037 56.468 56.400 0.052 0.000 0.874 44 E CB 0.438 30.167 29.700 0.048 0.000 1.011 44 E HN 0.439 nan 8.360 nan 0.000 0.474 45 G N 2.062 110.903 108.800 0.067 0.000 2.203 45 G HA2 -0.381 3.579 3.960 0.000 0.000 0.263 45 G HA3 -0.381 3.579 3.960 0.000 0.000 0.263 45 G C 0.892 175.844 174.900 0.087 0.000 1.012 45 G CA 1.058 46.201 45.100 0.071 0.000 0.749 45 G HN 0.252 nan 8.290 nan 0.000 0.512 46 K N -0.515 119.951 120.400 0.111 0.000 2.167 46 K HA 0.313 4.634 4.320 0.000 0.000 0.203 46 K C 1.642 178.280 176.600 0.063 0.000 1.052 46 K CA 1.396 57.773 56.287 0.150 0.000 0.956 46 K CB 0.068 32.763 32.500 0.326 0.000 0.735 46 K HN 0.805 nan 8.250 nan 0.000 0.451 47 I N -4.093 116.496 120.570 0.033 0.000 3.445 47 I HA 0.504 4.674 4.170 0.000 0.000 0.303 47 I C -0.897 175.289 176.117 0.115 0.000 1.129 47 I CA -1.189 60.114 61.300 0.006 0.000 0.989 47 I CB 2.452 40.402 38.000 -0.083 0.000 1.314 47 I HN -0.373 nan 8.210 nan 0.000 0.488 48 S N 0.589 116.381 115.700 0.153 0.000 2.592 48 S HA 0.257 4.727 4.470 0.000 0.000 0.275 48 S C -0.990 173.556 174.600 -0.091 0.000 1.169 48 S CA -1.033 57.208 58.200 0.069 0.000 0.958 48 S CB 1.510 64.719 63.200 0.015 0.000 1.095 48 S HN 0.698 nan 8.310 nan 0.000 0.471 49 K N 2.330 122.530 120.400 -0.333 0.000 2.083 49 K HA 0.370 4.690 4.320 0.000 0.000 0.246 49 K C -0.583 175.816 176.600 -0.335 0.000 1.160 49 K CA -0.100 55.803 56.287 -0.639 0.000 1.060 49 K CB -0.028 31.849 32.500 -1.039 0.000 1.417 49 K HN 0.554 nan 8.250 nan 0.000 0.329 50 I N 3.577 124.003 120.570 -0.240 0.000 2.312 50 I HA 0.098 4.268 4.170 0.000 0.000 0.291 50 I C 0.943 176.972 176.117 -0.145 0.000 1.031 50 I CA -0.100 61.109 61.300 -0.150 0.000 1.293 50 I CB 1.080 39.021 38.000 -0.098 0.000 1.403 50 I HN 0.834 nan 8.210 nan 0.000 0.484 51 G N 8.570 117.297 108.800 -0.122 0.000 2.586 51 G HA2 0.145 4.105 3.960 0.000 0.000 0.199 51 G HA3 0.145 4.105 3.960 0.000 0.000 0.199 51 G C -2.009 172.854 174.900 -0.062 0.000 1.614 51 G CA -0.006 45.035 45.100 -0.098 0.000 0.921 51 G HN 0.455 nan 8.290 nan 0.000 0.428 52 P HA 0.127 nan 4.420 nan 0.000 0.272 52 P C -0.041 177.245 177.300 -0.023 0.000 1.254 52 P CA 0.195 63.276 63.100 -0.031 0.000 0.795 52 P CB 0.842 32.525 31.700 -0.029 0.000 1.022 53 E N -2.547 117.644 120.200 -0.015 0.000 3.916 53 E HA -0.231 4.119 4.350 0.000 0.000 0.331 53 E C -0.001 176.606 176.600 0.012 0.000 0.729 53 E CA 1.217 57.614 56.400 -0.006 0.000 1.222 53 E CB -1.832 27.862 29.700 -0.010 0.000 1.633 53 E HN 0.678 nan 8.360 nan 0.000 0.437 54 N N 0.293 119.006 118.700 0.021 0.000 2.443 54 N HA 0.304 5.044 4.740 0.000 0.000 0.269 54 N C -1.960 173.599 175.510 0.081 0.000 0.985 54 N CA -1.491 51.609 53.050 0.082 0.000 0.921 54 N CB 1.488 40.014 38.487 0.065 0.000 1.195 54 N HN -0.260 nan 8.380 nan 0.000 0.492 55 P HA 0.101 nan 4.420 nan 0.000 0.240 55 P C -0.464 176.750 177.300 -0.143 0.000 1.190 55 P CA 0.534 63.560 63.100 -0.123 0.000 0.781 55 P CB 0.126 31.653 31.700 -0.288 0.000 0.931 56 Y N -0.195 120.119 120.300 0.022 0.000 2.433 56 Y HA 0.409 4.959 4.550 0.000 0.000 0.411 56 Y C 1.328 177.271 175.900 0.072 0.000 1.383 56 Y CA -0.048 58.088 58.100 0.060 0.000 1.896 56 Y CB -0.237 38.274 38.460 0.085 0.000 1.750 56 Y HN -0.172 nan 8.280 nan 0.000 0.627 57 N N -2.831 116.048 118.700 0.298 0.000 3.856 57 N HA 0.269 5.009 4.740 0.000 0.000 0.237 57 N C -1.917 173.721 175.510 0.213 0.000 1.351 57 N CA -0.277 52.906 53.050 0.221 0.000 0.805 57 N CB 1.326 39.902 38.487 0.149 0.000 1.487 57 N HN 0.634 nan 8.380 nan 0.000 0.431 58 T N 1.059 115.721 114.554 0.180 0.000 2.907 58 T HA 0.477 4.827 4.350 0.000 0.000 0.344 58 T C -2.991 171.743 174.700 0.056 0.000 1.675 58 T CA -0.438 61.699 62.100 0.062 0.000 1.076 58 T CB 2.416 71.231 68.868 -0.087 0.000 1.483 58 T HN 0.419 nan 8.240 nan 0.000 0.487 59 P HA 0.642 nan 4.420 nan 0.000 0.282 59 P C -1.309 175.983 177.300 -0.014 0.000 1.259 59 P CA -0.576 62.542 63.100 0.031 0.000 0.826 59 P CB 1.166 32.898 31.700 0.053 0.000 1.064 60 V N 2.204 122.171 119.914 0.089 0.000 2.407 60 V HA 0.286 4.406 4.120 0.000 0.000 0.291 60 V C -0.231 175.999 176.094 0.227 0.000 1.018 60 V CA -0.447 61.904 62.300 0.085 0.000 0.842 60 V CB 0.708 32.585 31.823 0.090 0.000 0.996 60 V HN 0.364 nan 8.190 nan 0.000 0.426 61 F N 3.102 123.025 119.950 -0.046 0.000 2.411 61 F HA 0.596 5.123 4.527 0.000 0.000 0.350 61 F C 0.891 176.679 175.800 -0.021 0.000 1.114 61 F CA -1.036 56.949 58.000 -0.026 0.000 1.135 61 F CB 1.719 40.703 39.000 -0.028 0.000 1.120 61 F HN 0.561 nan 8.300 nan 0.000 0.495 62 A N 5.263 128.116 122.820 0.055 0.000 3.197 62 A HA 0.512 4.832 4.320 0.000 0.000 0.263 62 A C 0.516 178.108 177.584 0.013 0.000 1.524 62 A CA -0.182 51.872 52.037 0.027 0.000 1.176 62 A CB -1.694 17.304 19.000 -0.003 0.000 1.096 62 A HN 0.731 nan 8.150 nan 0.000 0.655 63 I N 0.328 120.935 120.570 0.062 0.000 2.460 63 I HA 0.559 4.729 4.170 0.000 0.000 0.297 63 I C 0.944 177.080 176.117 0.030 0.000 1.139 63 I CA 0.281 61.614 61.300 0.055 0.000 1.340 63 I CB -1.288 36.792 38.000 0.133 0.000 1.444 63 I HN 0.658 nan 8.210 nan 0.000 0.557 64 K N 5.526 125.932 120.400 0.010 0.000 2.278 64 K HA 0.430 4.750 4.320 0.000 0.000 0.237 64 K C 0.590 177.195 176.600 0.008 0.000 1.229 64 K CA -0.406 55.883 56.287 0.004 0.000 1.155 64 K CB -1.234 31.264 32.500 -0.003 0.000 1.590 64 K HN 1.005 nan 8.250 nan 0.000 0.290 65 K N 1.423 121.832 120.400 0.015 0.000 2.550 65 K HA 0.005 4.325 4.320 0.000 0.000 0.280 65 K C 0.613 177.219 176.600 0.010 0.000 0.987 65 K CA 0.427 56.724 56.287 0.016 0.000 1.048 65 K CB 0.160 32.670 32.500 0.017 0.000 0.879 65 K HN 0.652 nan 8.250 nan 0.000 0.491 66 K N 0.724 121.131 120.400 0.010 0.000 10.669 66 K HA -0.363 3.957 4.320 0.000 0.000 0.523 66 K C 0.126 176.729 176.600 0.005 0.000 0.380 66 K CA 2.098 58.390 56.287 0.008 0.000 1.946 66 K CB -1.750 30.755 32.500 0.008 0.000 0.755 66 K HN 1.037 nan 8.250 nan 0.000 1.190 67 D N 0.001 120.403 120.400 0.004 0.000 3.607 67 D HA 0.283 4.923 4.640 0.000 0.000 0.141 67 D C -0.472 175.828 176.300 0.001 0.000 1.013 67 D CA 0.313 54.313 54.000 0.001 0.000 1.860 67 D CB -0.687 40.114 40.800 0.002 0.000 0.711 67 D HN 0.296 nan 8.370 nan 0.000 0.879 68 S N -0.278 115.421 115.700 -0.000 0.000 2.584 68 S HA 0.479 4.949 4.470 0.000 0.000 0.270 68 S C 2.190 176.788 174.600 -0.003 0.000 1.346 68 S CA 0.393 58.592 58.200 -0.002 0.000 1.018 68 S CB 1.523 64.720 63.200 -0.005 0.000 0.899 68 S HN 0.992 nan 8.310 nan 0.000 0.542 69 T N -1.746 112.806 114.554 -0.003 0.000 2.978 69 T HA 0.171 4.521 4.350 0.000 0.000 0.262 69 T C 0.665 175.362 174.700 -0.005 0.000 1.063 69 T CA 0.843 62.941 62.100 -0.003 0.000 1.140 69 T CB -0.415 68.452 68.868 -0.002 0.000 0.886 69 T HN 0.719 nan 8.240 nan 0.000 0.470 70 K N 0.274 120.670 120.400 -0.008 0.000 2.307 70 K HA 0.555 4.875 4.320 0.000 0.000 0.263 70 K C -0.101 176.491 176.600 -0.013 0.000 0.973 70 K CA -0.574 55.706 56.287 -0.011 0.000 0.846 70 K CB -0.835 31.656 32.500 -0.015 0.000 1.100 70 K HN 0.684 nan 8.250 nan 0.000 0.438 71 W N 0.276 121.569 121.300 -0.012 0.000 2.295 71 W HA 0.489 5.149 4.660 0.000 0.000 0.335 71 W C 0.614 177.123 176.519 -0.016 0.000 1.351 71 W CA 0.104 57.442 57.345 -0.011 0.000 1.273 71 W CB -0.652 28.803 29.460 -0.008 0.000 1.214 71 W HN 1.433 nan 8.180 nan 0.000 0.563 72 R N 3.266 123.759 120.500 -0.013 0.000 2.744 72 R HA 0.792 5.132 4.340 0.000 0.000 0.279 72 R C -0.122 176.178 176.300 0.001 0.000 0.977 72 R CA -0.429 55.661 56.100 -0.017 0.000 0.906 72 R CB 1.353 31.640 30.300 -0.022 0.000 1.197 72 R HN 1.253 nan 8.270 nan 0.000 0.463 73 K N 0.143 120.544 120.400 0.002 0.000 2.316 73 K HA 0.927 5.247 4.320 0.000 0.000 0.234 73 K C -1.035 175.589 176.600 0.040 0.000 1.054 73 K CA -0.804 55.500 56.287 0.028 0.000 0.879 73 K CB 2.218 34.730 32.500 0.020 0.000 1.252 73 K HN 0.377 nan 8.250 nan 0.000 0.471 74 L N 1.206 122.463 121.223 0.057 0.000 2.795 74 L HA 0.225 4.566 4.340 0.000 0.000 0.260 74 L C -1.715 175.148 176.870 -0.011 0.000 0.935 74 L CA -0.830 54.036 54.840 0.042 0.000 0.985 74 L CB 2.414 44.501 42.059 0.047 0.000 1.433 74 L HN 0.509 nan 8.230 nan 0.000 0.447 75 V N 2.171 122.038 119.914 -0.078 0.000 2.368 75 V HA 0.221 4.341 4.120 0.000 0.000 0.266 75 V C -0.135 175.747 176.094 -0.353 0.000 1.045 75 V CA -0.463 61.675 62.300 -0.269 0.000 0.899 75 V CB 1.130 32.688 31.823 -0.442 0.000 1.006 75 V HN 0.529 nan 8.190 nan 0.000 0.470 76 D N 4.497 124.667 120.400 -0.383 0.000 2.344 76 D HA 0.243 4.883 4.640 0.000 0.000 0.253 76 D C -0.416 175.681 176.300 -0.339 0.000 1.255 76 D CA 0.050 53.850 54.000 -0.332 0.000 0.894 76 D CB 0.381 40.929 40.800 -0.420 0.000 1.067 76 D HN 0.370 nan 8.370 nan 0.000 0.492 77 F N 3.382 123.308 119.950 -0.041 0.000 2.425 77 F HA 0.226 4.753 4.527 0.000 0.000 0.354 77 F C 1.455 177.269 175.800 0.025 0.000 1.162 77 F CA -0.546 57.474 58.000 0.033 0.000 1.250 77 F CB 0.503 39.568 39.000 0.108 0.000 1.579 77 F HN 0.237 nan 8.300 nan 0.000 0.589 78 R N -0.374 120.188 120.500 0.104 0.000 2.142 78 R HA 0.132 4.472 4.340 0.000 0.000 0.204 78 R C 1.509 177.861 176.300 0.087 0.000 1.059 78 R CA 0.369 56.507 56.100 0.064 0.000 1.055 78 R CB -0.301 29.997 30.300 -0.003 0.000 0.976 78 R HN 0.255 nan 8.270 nan 0.000 0.483 79 E N 0.596 120.857 120.200 0.101 0.000 2.158 79 E HA 0.002 4.352 4.350 0.000 0.000 0.191 79 E C 1.503 178.193 176.600 0.150 0.000 0.982 79 E CA 0.401 56.865 56.400 0.107 0.000 0.823 79 E CB 0.066 29.826 29.700 0.099 0.000 0.766 79 E HN 0.165 nan 8.360 nan 0.000 0.468 80 L N 1.053 122.421 121.223 0.241 0.000 2.072 80 L HA -0.076 4.264 4.340 0.000 0.000 0.205 80 L C 1.623 178.618 176.870 0.209 0.000 1.079 80 L CA 1.700 56.714 54.840 0.291 0.000 0.752 80 L CB -0.611 41.760 42.059 0.519 0.000 0.906 80 L HN 0.170 nan 8.230 nan 0.000 0.436 81 N N -0.430 118.378 118.700 0.180 0.000 2.247 81 N HA -0.242 4.499 4.740 0.000 0.000 0.189 81 N C 1.502 177.030 175.510 0.030 0.000 1.009 81 N CA 1.488 54.574 53.050 0.060 0.000 0.872 81 N CB 0.075 38.591 38.487 0.049 0.000 0.980 81 N HN 0.527 nan 8.380 nan 0.000 0.436 82 K N 0.503 120.934 120.400 0.052 0.000 2.067 82 K HA 0.004 4.324 4.320 0.000 0.000 0.203 82 K C 2.042 178.656 176.600 0.024 0.000 1.048 82 K CA 0.648 56.953 56.287 0.029 0.000 0.954 82 K CB -0.055 32.466 32.500 0.035 0.000 0.737 82 K HN 0.002 nan 8.250 nan 0.000 0.444 83 R N 1.280 121.805 120.500 0.042 0.000 2.115 83 R HA -0.046 4.294 4.340 0.000 0.000 0.230 83 R C 1.174 177.480 176.300 0.010 0.000 1.111 83 R CA 1.317 57.429 56.100 0.020 0.000 0.976 83 R CB -0.691 29.620 30.300 0.019 0.000 0.870 83 R HN 0.357 nan 8.270 nan 0.000 0.445 84 T N -0.258 114.330 114.554 0.056 0.000 2.802 84 T HA 0.035 4.385 4.350 0.000 0.000 0.305 84 T C 0.454 175.131 174.700 -0.038 0.000 1.053 84 T CA -0.914 61.235 62.100 0.081 0.000 1.058 84 T CB 0.807 69.758 68.868 0.138 0.000 0.988 84 T HN 0.297 nan 8.240 nan 0.000 0.539 85 Q N 0.857 120.591 119.800 -0.109 0.000 2.631 85 Q HA 0.236 4.576 4.340 0.000 0.000 0.210 85 Q C -0.858 174.958 176.000 -0.305 0.000 1.094 85 Q CA -0.650 55.022 55.803 -0.219 0.000 1.055 85 Q CB 0.295 28.858 28.738 -0.292 0.000 1.261 85 Q HN 0.605 nan 8.270 nan 0.000 0.615 86 D N 0.051 120.284 120.400 -0.278 0.000 2.177 86 D HA 0.348 4.989 4.640 0.000 0.000 0.247 86 D C -0.933 175.191 176.300 -0.293 0.000 1.063 86 D CA -0.096 53.791 54.000 -0.188 0.000 0.867 86 D CB 0.700 41.457 40.800 -0.072 0.000 1.168 86 D HN 0.303 nan 8.370 nan 0.000 0.445 87 F N 0.303 120.219 119.950 -0.057 0.000 2.518 87 F HA 0.331 4.858 4.527 0.000 0.000 0.338 87 F C 0.505 176.371 175.800 0.110 0.000 1.065 87 F CA -1.101 56.894 58.000 -0.008 0.000 1.012 87 F CB 1.203 40.150 39.000 -0.090 0.000 1.297 87 F HN 0.250 nan 8.300 nan 0.000 0.489 88 W N 2.693 124.083 121.300 0.150 0.000 2.287 88 W HA 0.192 4.853 4.660 0.000 0.000 0.313 88 W C -0.460 176.085 176.519 0.045 0.000 1.267 88 W CA -0.687 56.694 57.345 0.059 0.000 1.201 88 W CB 0.685 30.166 29.460 0.036 0.000 1.196 88 W HN 0.467 nan 8.180 nan 0.000 0.536 89 E N 3.882 123.638 120.200 -0.740 0.000 2.328 89 E HA -0.062 4.289 4.350 0.000 0.000 0.265 89 E C 1.229 177.432 176.600 -0.662 0.000 1.057 89 E CA 0.016 56.038 56.400 -0.630 0.000 0.916 89 E CB 1.698 31.073 29.700 -0.542 0.000 0.993 89 E HN 0.584 nan 8.360 nan 0.000 0.446 90 V N 1.034 120.761 119.914 -0.313 0.000 2.453 90 V HA -0.171 3.950 4.120 0.000 0.000 0.247 90 V C 1.543 177.578 176.094 -0.098 0.000 1.048 90 V CA 1.578 63.775 62.300 -0.172 0.000 1.049 90 V CB -1.081 30.681 31.823 -0.102 0.000 0.672 90 V HN 0.603 nan 8.190 nan 0.000 0.457 91 Q N 0.631 120.384 119.800 -0.078 0.000 3.107 91 Q HA 0.463 4.803 4.340 0.000 0.000 0.268 91 Q C 0.829 176.795 176.000 -0.055 0.000 1.382 91 Q CA 0.412 56.235 55.803 0.034 0.000 0.927 91 Q CB -1.259 27.512 28.738 0.054 0.000 1.755 91 Q HN 0.805 nan 8.270 nan 0.000 0.545 92 L N 0.619 121.805 121.223 -0.061 0.000 2.672 92 L HA 0.424 4.764 4.340 0.000 0.000 0.236 92 L C 1.136 177.999 176.870 -0.012 0.000 1.186 92 L CA 0.601 55.393 54.840 -0.080 0.000 0.977 92 L CB -0.396 41.628 42.059 -0.059 0.000 1.203 92 L HN 0.933 nan 8.230 nan 0.000 0.448 93 G N 0.930 109.738 108.800 0.013 0.000 2.255 93 G HA2 -0.030 3.930 3.960 0.000 0.000 0.216 93 G HA3 -0.030 3.930 3.960 0.000 0.000 0.216 93 G C -1.116 173.795 174.900 0.018 0.000 1.307 93 G CA -0.312 44.795 45.100 0.012 0.000 1.162 93 G HN 0.112 nan 8.290 nan 0.000 0.494 94 I N -1.877 118.695 120.570 0.004 0.000 2.610 94 I HA 0.583 4.754 4.170 0.000 0.000 0.289 94 I C -2.590 173.540 176.117 0.022 0.000 1.163 94 I CA -2.315 58.990 61.300 0.009 0.000 1.044 94 I CB 2.456 40.384 38.000 -0.120 0.000 1.251 94 I HN 0.447 nan 8.210 nan 0.000 0.424 95 P HA 0.050 nan 4.420 nan 0.000 0.269 95 P C -0.619 176.577 177.300 -0.173 0.000 1.252 95 P CA 0.405 63.451 63.100 -0.090 0.000 0.780 95 P CB 0.390 31.961 31.700 -0.215 0.000 0.829 96 H N 5.515 124.399 119.070 -0.311 0.000 2.767 96 H HA 0.081 4.637 4.556 0.000 0.000 0.316 96 H C -1.499 173.493 175.328 -0.559 0.000 1.059 96 H CA -1.381 54.388 56.048 -0.465 0.000 1.461 96 H CB 1.014 30.531 29.762 -0.409 0.000 1.475 96 H HN 0.173 nan 8.280 nan 0.000 0.531 97 P HA -0.224 nan 4.420 nan 0.000 0.218 97 P C 1.160 177.884 177.300 -0.961 0.000 1.152 97 P CA 2.370 64.784 63.100 -1.144 0.000 0.857 97 P CB 0.018 30.881 31.700 -1.396 0.000 0.787 98 A N -0.710 121.518 122.820 -0.987 0.000 2.024 98 A HA -0.065 4.256 4.320 0.000 0.000 0.220 98 A C 2.106 179.817 177.584 0.211 0.000 1.164 98 A CA 1.849 53.813 52.037 -0.121 0.000 0.643 98 A CB -1.477 17.727 19.000 0.340 0.000 0.806 98 A HN 0.331 nan 8.150 nan 0.000 0.451 99 G N -1.066 107.660 108.800 -0.123 0.000 3.523 99 G HA2 0.451 4.411 3.960 0.000 0.000 0.270 99 G HA3 0.451 4.411 3.960 0.000 0.000 0.270 99 G C 0.199 175.092 174.900 -0.012 0.000 1.134 99 G CA -0.380 44.680 45.100 -0.068 0.000 0.825 99 G HN 0.334 nan 8.290 nan 0.000 0.534 100 L N 0.430 121.576 121.223 -0.129 0.000 2.379 100 L HA 0.446 4.786 4.340 0.000 0.000 0.269 100 L C 0.250 176.966 176.870 -0.256 0.000 1.084 100 L CA -0.585 54.076 54.840 -0.300 0.000 0.802 100 L CB 1.582 43.289 42.059 -0.587 0.000 1.175 100 L HN 0.005 nan 8.230 nan 0.000 0.448 101 K N 1.418 121.681 120.400 -0.228 0.000 2.123 101 K HA 0.310 4.630 4.320 0.000 0.000 0.248 101 K C -0.534 175.973 176.600 -0.154 0.000 0.969 101 K CA -0.889 55.333 56.287 -0.108 0.000 0.882 101 K CB 1.311 33.793 32.500 -0.031 0.000 1.080 101 K HN 0.340 nan 8.250 nan 0.000 0.441 102 K N 2.024 122.446 120.400 0.037 0.000 2.449 102 K HA 0.033 4.353 4.320 0.000 0.000 0.237 102 K C -0.414 176.234 176.600 0.079 0.000 1.265 102 K CA 0.037 56.412 56.287 0.147 0.000 1.193 102 K CB -0.067 32.556 32.500 0.204 0.000 1.515 102 K HN 0.011 nan 8.250 nan 0.000 0.259 103 K N 2.357 122.780 120.400 0.038 0.000 2.449 103 K HA -0.017 4.303 4.320 0.000 0.000 0.237 103 K C 0.595 177.231 176.600 0.060 0.000 1.265 103 K CA 0.075 56.391 56.287 0.048 0.000 1.193 103 K CB -0.326 32.198 32.500 0.039 0.000 1.515 103 K HN 0.214 nan 8.250 nan 0.000 0.259 104 K N -0.182 120.254 120.400 0.060 0.000 2.405 104 K HA -0.315 4.006 4.320 0.000 0.000 0.220 104 K C 0.283 176.879 176.600 -0.006 0.000 0.714 104 K CA 2.366 58.676 56.287 0.038 0.000 1.146 104 K CB -1.024 31.494 32.500 0.030 0.000 0.945 104 K HN 0.366 nan 8.250 nan 0.000 0.655 105 S N -1.130 114.510 115.700 -0.099 0.000 2.509 105 S HA 0.634 5.104 4.470 0.000 0.000 0.297 105 S C -1.102 173.312 174.600 -0.309 0.000 1.118 105 S CA -0.522 57.500 58.200 -0.297 0.000 1.074 105 S CB 1.213 64.054 63.200 -0.599 0.000 1.038 105 S HN 0.241 nan 8.310 nan 0.000 0.498 106 V N 3.196 123.028 119.914 -0.136 0.000 3.078 106 V HA 0.769 4.889 4.120 0.000 0.000 0.311 106 V C -0.514 175.682 176.094 0.170 0.000 1.138 106 V CA -0.712 61.637 62.300 0.081 0.000 1.007 106 V CB 2.408 34.339 31.823 0.181 0.000 1.045 106 V HN 0.972 nan 8.190 nan 0.000 0.432 107 T N 0.864 115.544 114.554 0.210 0.000 2.889 107 T HA 0.620 4.971 4.350 0.000 0.000 0.315 107 T C -1.387 173.312 174.700 -0.002 0.000 1.291 107 T CA -0.547 61.669 62.100 0.194 0.000 1.028 107 T CB 2.092 71.088 68.868 0.213 0.000 1.235 107 T HN 0.409 nan 8.240 nan 0.000 0.491 108 V N 2.390 122.277 119.914 -0.045 0.000 2.483 108 V HA 0.542 4.662 4.120 0.000 0.000 0.297 108 V C -1.021 175.036 176.094 -0.062 0.000 1.027 108 V CA -0.687 61.443 62.300 -0.283 0.000 0.855 108 V CB 1.534 32.930 31.823 -0.711 0.000 0.995 108 V HN 0.684 nan 8.190 nan 0.000 0.424 109 L N 3.833 125.043 121.223 -0.021 0.000 2.296 109 L HA 0.473 4.813 4.340 0.000 0.000 0.286 109 L C 0.015 176.918 176.870 0.055 0.000 1.023 109 L CA -0.296 54.563 54.840 0.031 0.000 0.812 109 L CB 1.577 43.656 42.059 0.034 0.000 1.223 109 L HN 0.609 nan 8.230 nan 0.000 0.421 110 D N 2.278 122.714 120.400 0.061 0.000 2.383 110 D HA 0.143 4.783 4.640 0.000 0.000 0.245 110 D C 0.271 176.617 176.300 0.075 0.000 1.263 110 D CA -0.165 53.878 54.000 0.073 0.000 0.936 110 D CB 0.658 41.496 40.800 0.065 0.000 1.053 110 D HN 0.248 nan 8.370 nan 0.000 0.507 111 V N 2.570 122.542 119.914 0.097 0.000 2.847 111 V HA 0.438 4.558 4.120 0.000 0.000 0.364 111 V C 1.579 177.712 176.094 0.065 0.000 1.374 111 V CA -0.122 62.244 62.300 0.109 0.000 1.542 111 V CB 0.194 32.137 31.823 0.199 0.000 1.471 111 V HN 0.465 nan 8.190 nan 0.000 0.557 112 G N 1.529 110.356 108.800 0.045 0.000 2.434 112 G HA2 -0.132 3.828 3.960 0.000 0.000 0.214 112 G HA3 -0.132 3.828 3.960 0.000 0.000 0.214 112 G C 0.460 175.351 174.900 -0.015 0.000 1.202 112 G CA 0.761 45.860 45.100 -0.001 0.000 0.788 112 G HN 0.611 nan 8.290 nan 0.000 0.539 113 D N 0.328 120.742 120.400 0.023 0.000 3.163 113 D HA 0.537 5.177 4.640 0.000 0.000 0.284 113 D C 1.115 177.497 176.300 0.137 0.000 1.368 113 D CA 0.017 54.050 54.000 0.054 0.000 0.895 113 D CB 0.758 41.545 40.800 -0.021 0.000 1.061 113 D HN 0.244 nan 8.370 nan 0.000 0.496 114 A N -0.348 122.565 122.820 0.156 0.000 2.345 114 A HA 0.077 4.397 4.320 0.000 0.000 0.225 114 A C 0.752 178.429 177.584 0.155 0.000 1.243 114 A CA 0.060 52.194 52.037 0.162 0.000 0.875 114 A CB -0.147 18.958 19.000 0.175 0.000 0.929 114 A HN 0.259 nan 8.150 nan 0.000 0.502 115 Y N -1.974 118.294 120.300 -0.055 0.000 2.301 115 Y HA 0.144 4.694 4.550 0.000 0.000 0.295 115 Y C 1.426 177.377 175.900 0.084 0.000 1.119 115 Y CA 0.613 58.691 58.100 -0.036 0.000 1.162 115 Y CB -0.361 38.041 38.460 -0.097 0.000 1.046 115 Y HN 0.381 nan 8.280 nan 0.000 0.538 116 F N 0.018 120.062 119.950 0.157 0.000 2.771 116 F HA -0.090 4.437 4.527 0.000 0.000 0.299 116 F C 2.295 178.155 175.800 0.099 0.000 1.177 116 F CA 0.873 58.947 58.000 0.123 0.000 1.450 116 F CB -0.286 38.779 39.000 0.107 0.000 1.114 116 F HN 0.071 nan 8.300 nan 0.000 0.587 117 S N -1.897 113.945 115.700 0.237 0.000 2.460 117 S HA 0.095 4.565 4.470 0.000 0.000 0.226 117 S C 0.730 175.396 174.600 0.109 0.000 1.057 117 S CA -0.068 58.231 58.200 0.165 0.000 0.948 117 S CB -0.661 62.630 63.200 0.153 0.000 0.822 117 S HN -0.137 nan 8.310 nan 0.000 0.512 118 V N 5.671 125.640 119.914 0.090 0.000 2.673 118 V HA 0.264 4.384 4.120 0.000 0.000 0.303 118 V C -1.913 174.186 176.094 0.009 0.000 1.046 118 V CA -1.325 60.995 62.300 0.033 0.000 1.126 118 V CB 0.449 32.279 31.823 0.012 0.000 0.934 118 V HN 0.450 nan 8.190 nan 0.000 0.487 119 P HA 0.351 nan 4.420 nan 0.000 0.281 119 P C -0.938 176.336 177.300 -0.043 0.000 1.264 119 P CA -0.651 62.443 63.100 -0.010 0.000 0.824 119 P CB 1.633 33.342 31.700 0.014 0.000 1.092 120 L N 1.290 122.476 121.223 -0.061 0.000 2.334 120 L HA 0.400 4.740 4.340 0.000 0.000 0.275 120 L C 0.329 177.184 176.870 -0.025 0.000 1.036 120 L CA -0.546 54.233 54.840 -0.101 0.000 0.807 120 L CB 0.540 42.487 42.059 -0.187 0.000 1.231 120 L HN 0.344 nan 8.230 nan 0.000 0.438 121 D N 2.197 122.597 120.400 0.001 0.000 2.506 121 D HA -0.086 4.555 4.640 0.000 0.000 0.234 121 D C 0.478 176.825 176.300 0.077 0.000 1.143 121 D CA 0.403 54.434 54.000 0.052 0.000 0.871 121 D CB 0.914 41.764 40.800 0.083 0.000 1.190 121 D HN 0.642 nan 8.370 nan 0.000 0.459 122 E N 1.622 121.860 120.200 0.063 0.000 2.515 122 E HA -0.135 4.215 4.350 0.000 0.000 0.201 122 E C 0.443 177.081 176.600 0.063 0.000 1.071 122 E CA 0.514 56.947 56.400 0.055 0.000 0.880 122 E CB 0.373 30.096 29.700 0.038 0.000 0.828 122 E HN 0.427 nan 8.360 nan 0.000 0.540 123 D N -0.631 119.834 120.400 0.108 0.000 2.379 123 D HA -0.026 4.614 4.640 0.000 0.000 0.218 123 D C 1.333 177.717 176.300 0.140 0.000 1.006 123 D CA 0.192 54.255 54.000 0.106 0.000 0.893 123 D CB -0.017 40.861 40.800 0.130 0.000 1.019 123 D HN 0.113 nan 8.370 nan 0.000 0.503 124 F N 2.417 122.416 119.950 0.082 0.000 2.456 124 F HA 0.025 4.553 4.527 0.000 0.000 0.298 124 F C 2.128 177.955 175.800 0.045 0.000 1.104 124 F CA 0.666 58.773 58.000 0.179 0.000 1.435 124 F CB 0.163 39.264 39.000 0.169 0.000 1.078 124 F HN -0.234 nan 8.300 nan 0.000 0.546 125 R N 0.868 121.461 120.500 0.155 0.000 2.185 125 R HA -0.217 4.124 4.340 0.000 0.000 0.247 125 R C 2.132 178.403 176.300 -0.048 0.000 1.159 125 R CA 1.786 57.923 56.100 0.063 0.000 0.988 125 R CB -0.647 29.680 30.300 0.045 0.000 0.871 125 R HN 0.407 nan 8.270 nan 0.000 0.458 126 K N -0.183 120.070 120.400 -0.245 0.000 2.217 126 K HA -0.124 4.196 4.320 0.000 0.000 0.202 126 K C 0.998 177.280 176.600 -0.529 0.000 1.051 126 K CA 1.276 57.325 56.287 -0.397 0.000 0.952 126 K CB -0.159 32.008 32.500 -0.556 0.000 0.736 126 K HN 0.250 nan 8.250 nan 0.000 0.453 127 Y N 2.771 122.808 120.300 -0.437 0.000 2.578 127 Y HA -0.010 4.540 4.550 0.000 0.000 0.297 127 Y C 1.724 177.550 175.900 -0.123 0.000 1.176 127 Y CA 0.943 58.749 58.100 -0.490 0.000 1.315 127 Y CB -0.014 37.994 38.460 -0.753 0.000 1.031 127 Y HN 0.262 nan 8.280 nan 0.000 0.524 128 T N -3.014 111.617 114.554 0.128 0.000 3.215 128 T HA 0.606 4.956 4.350 0.000 0.000 0.271 128 T C 0.590 175.611 174.700 0.535 0.000 1.012 128 T CA -0.238 62.075 62.100 0.355 0.000 0.899 128 T CB -0.435 68.531 68.868 0.162 0.000 1.089 128 T HN 0.145 nan 8.240 nan 0.000 0.552 129 A N 1.915 124.938 122.820 0.338 0.000 2.425 129 A HA 0.646 4.966 4.320 0.000 0.000 0.249 129 A C -0.238 177.602 177.584 0.426 0.000 1.084 129 A CA -0.601 51.615 52.037 0.299 0.000 0.781 129 A CB -0.249 18.834 19.000 0.139 0.000 1.019 129 A HN 0.809 nan 8.150 nan 0.000 0.490 130 F N -0.784 119.285 119.950 0.198 0.000 2.608 130 F HA 0.768 5.295 4.527 0.000 0.000 0.309 130 F C -0.394 175.496 175.800 0.151 0.000 1.103 130 F CA -0.761 57.331 58.000 0.154 0.000 0.954 130 F CB 1.217 40.306 39.000 0.148 0.000 1.267 130 F HN 0.392 nan 8.300 nan 0.000 0.444 131 T N 3.689 118.365 114.554 0.203 0.000 2.908 131 T HA 0.776 5.126 4.350 0.000 0.000 0.290 131 T C -0.608 174.190 174.700 0.164 0.000 1.034 131 T CA -0.690 61.474 62.100 0.108 0.000 1.010 131 T CB 1.938 70.843 68.868 0.061 0.000 1.068 131 T HN 0.778 nan 8.240 nan 0.000 0.481 132 I N 0.274 120.922 120.570 0.130 0.000 2.542 132 I HA 0.462 4.632 4.170 0.000 0.000 0.278 132 I C -2.913 173.253 176.117 0.082 0.000 1.069 132 I CA -2.468 58.908 61.300 0.127 0.000 1.100 132 I CB 1.876 39.974 38.000 0.162 0.000 1.204 132 I HN 0.303 nan 8.210 nan 0.000 0.470 133 P HA 0.178 nan 4.420 nan 0.000 0.278 133 P C 0.086 177.409 177.300 0.038 0.000 1.238 133 P CA 0.047 63.173 63.100 0.042 0.000 0.794 133 P CB 1.571 33.292 31.700 0.036 0.000 0.955 134 S N 1.574 117.292 115.700 0.029 0.000 2.645 134 S HA 0.206 4.676 4.470 0.000 0.000 0.266 134 S C 1.642 176.254 174.600 0.020 0.000 1.258 134 S CA -0.632 57.583 58.200 0.025 0.000 0.990 134 S CB -0.065 63.147 63.200 0.020 0.000 0.967 134 S HN 0.404 nan 8.310 nan 0.000 0.556 135 I N 0.477 121.057 120.570 0.017 0.000 2.090 135 I HA -0.140 4.030 4.170 0.000 0.000 0.236 135 I C 1.783 177.906 176.117 0.010 0.000 1.064 135 I CA 1.200 62.508 61.300 0.013 0.000 1.324 135 I CB -0.968 37.038 38.000 0.010 0.000 1.044 135 I HN 0.502 nan 8.210 nan 0.000 0.399 136 N N 1.069 119.774 118.700 0.009 0.000 2.573 136 N HA -0.163 4.577 4.740 0.000 0.000 0.187 136 N C 0.333 175.847 175.510 0.007 0.000 1.107 136 N CA 0.592 53.647 53.050 0.007 0.000 0.918 136 N CB -0.794 37.697 38.487 0.006 0.000 0.966 136 N HN 0.467 nan 8.380 nan 0.000 0.448 137 N N -0.827 117.878 118.700 0.009 0.000 2.725 137 N HA -0.268 4.472 4.740 0.000 0.000 0.249 137 N C 0.642 176.155 175.510 0.005 0.000 1.103 137 N CA 0.782 53.836 53.050 0.008 0.000 0.707 137 N CB -0.624 37.867 38.487 0.007 0.000 1.043 137 N HN 0.636 nan 8.380 nan 0.000 0.553 138 E N -0.631 119.572 120.200 0.005 0.000 2.140 138 E HA 0.139 4.489 4.350 0.000 0.000 0.191 138 E C 1.400 178.000 176.600 -0.000 0.000 0.973 138 E CA 1.533 57.934 56.400 0.002 0.000 0.829 138 E CB -0.180 29.522 29.700 0.003 0.000 0.781 138 E HN 0.620 nan 8.360 nan 0.000 0.466 139 T N 2.029 116.583 114.554 0.001 0.000 3.542 139 T HA 0.575 4.926 4.350 0.000 0.000 0.276 139 T C -2.586 172.111 174.700 -0.004 0.000 1.412 139 T CA -1.163 60.934 62.100 -0.004 0.000 1.664 139 T CB 0.250 69.115 68.868 -0.006 0.000 0.863 139 T HN 0.009 nan 8.240 nan 0.000 0.661 140 P HA 0.574 nan 4.420 nan 0.000 0.274 140 P C 1.145 178.438 177.300 -0.012 0.000 1.246 140 P CA 0.939 64.038 63.100 -0.001 0.000 0.795 140 P CB 0.928 32.629 31.700 0.002 0.000 1.006 141 G N 0.293 109.086 108.800 -0.012 0.000 2.134 141 G HA2 -0.190 3.770 3.960 0.000 0.000 0.209 141 G HA3 -0.190 3.770 3.960 0.000 0.000 0.209 141 G C 0.101 174.967 174.900 -0.057 0.000 0.993 141 G CA -0.477 44.605 45.100 -0.030 0.000 0.669 141 G HN 0.475 nan 8.290 nan 0.000 0.519 142 I N 2.330 122.875 120.570 -0.040 0.000 2.472 142 I HA 0.181 4.351 4.170 0.000 0.000 0.305 142 I C 1.086 177.151 176.117 -0.086 0.000 1.196 142 I CA 0.221 61.483 61.300 -0.064 0.000 1.613 142 I CB -0.392 37.618 38.000 0.015 0.000 1.501 142 I HN 0.282 nan 8.210 nan 0.000 0.754 143 R N 4.366 124.746 120.500 -0.200 0.000 2.476 143 R HA 0.541 4.881 4.340 0.000 0.000 0.305 143 R C -1.369 174.682 176.300 -0.414 0.000 0.965 143 R CA -0.843 55.115 56.100 -0.238 0.000 0.867 143 R CB 1.038 31.257 30.300 -0.135 0.000 1.176 143 R HN 0.093 nan 8.270 nan 0.000 0.447 144 Y N 1.073 121.019 120.300 -0.590 0.000 2.418 144 Y HA 0.331 4.881 4.550 0.000 0.000 0.327 144 Y C 0.469 176.106 175.900 -0.438 0.000 1.309 144 Y CA -0.536 57.235 58.100 -0.548 0.000 1.423 144 Y CB 1.121 39.177 38.460 -0.673 0.000 1.423 144 Y HN 0.504 nan 8.280 nan 0.000 0.532 145 Q N 0.002 119.780 119.800 -0.037 0.000 2.284 145 Q HA 0.283 4.623 4.340 0.000 0.000 0.269 145 Q C -2.011 174.080 176.000 0.151 0.000 1.026 145 Q CA -0.743 55.105 55.803 0.075 0.000 0.831 145 Q CB 1.514 30.259 28.738 0.012 0.000 1.322 145 Q HN 0.661 nan 8.270 nan 0.000 0.419 146 Y N 2.349 122.759 120.300 0.184 0.000 2.465 146 Y HA 0.025 4.576 4.550 0.000 0.000 0.331 146 Y C 0.898 176.794 175.900 -0.005 0.000 1.102 146 Y CA 0.938 59.099 58.100 0.101 0.000 1.358 146 Y CB 0.738 39.207 38.460 0.015 0.000 1.213 146 Y HN 0.728 nan 8.280 nan 0.000 0.525 147 N N 0.981 119.753 118.700 0.121 0.000 2.402 147 N HA 0.032 4.772 4.740 0.000 0.000 0.174 147 N C -0.167 175.353 175.510 0.017 0.000 1.027 147 N CA 0.492 53.578 53.050 0.059 0.000 0.891 147 N CB 0.349 38.870 38.487 0.055 0.000 1.016 147 N HN 0.379 nan 8.380 nan 0.000 0.439 148 V N -1.435 118.482 119.914 0.004 0.000 3.369 148 V HA 0.438 4.558 4.120 0.000 0.000 0.301 148 V C 0.123 176.071 176.094 -0.243 0.000 1.184 148 V CA -1.273 60.976 62.300 -0.084 0.000 1.013 148 V CB 0.679 32.473 31.823 -0.050 0.000 1.230 148 V HN -0.068 nan 8.190 nan 0.000 0.464 149 L N 2.200 123.260 121.223 -0.273 0.000 2.418 149 L HA 0.374 4.714 4.340 0.000 0.000 0.274 149 L C -2.255 174.288 176.870 -0.545 0.000 1.135 149 L CA -1.165 53.459 54.840 -0.360 0.000 0.870 149 L CB 0.560 42.552 42.059 -0.111 0.000 1.154 149 L HN 0.504 nan 8.230 nan 0.000 0.462 150 P HA 0.150 nan 4.420 nan 0.000 0.276 150 P C -0.860 176.215 177.300 -0.375 0.000 1.252 150 P CA -0.681 61.875 63.100 -0.908 0.000 0.802 150 P CB 0.620 31.457 31.700 -1.439 0.000 1.035 151 Q N 0.178 119.899 119.800 -0.130 0.000 2.352 151 Q HA 0.334 4.674 4.340 0.000 0.000 0.260 151 Q C 1.197 177.229 176.000 0.054 0.000 0.976 151 Q CA 1.112 56.930 55.803 0.025 0.000 0.881 151 Q CB 0.202 29.012 28.738 0.120 0.000 1.235 151 Q HN 0.810 nan 8.270 nan 0.000 0.419 152 G N 2.785 111.599 108.800 0.023 0.000 4.526 152 G HA2 -0.332 3.628 3.960 0.000 0.000 0.217 152 G HA3 -0.332 3.628 3.960 0.000 0.000 0.217 152 G C -0.425 174.510 174.900 0.059 0.000 1.428 152 G CA -0.041 45.085 45.100 0.044 0.000 0.928 152 G HN 0.834 nan 8.290 nan 0.000 0.639 153 W N 3.872 125.078 121.300 -0.156 0.000 2.471 153 W HA 0.036 4.696 4.660 0.000 0.000 0.341 153 W C 1.699 178.119 176.519 -0.165 0.000 0.805 153 W CA 1.742 58.949 57.345 -0.230 0.000 0.831 153 W CB -0.012 29.169 29.460 -0.464 0.000 0.985 153 W HN 0.839 nan 8.180 nan 0.000 0.553 154 K N 4.139 124.219 120.400 -0.533 0.000 2.097 154 K HA -0.282 4.038 4.320 0.000 0.000 0.223 154 K C 2.064 178.241 176.600 -0.704 0.000 1.049 154 K CA 2.916 58.893 56.287 -0.515 0.000 0.956 154 K CB -1.061 31.185 32.500 -0.424 0.000 0.746 154 K HN 0.650 nan 8.250 nan 0.000 0.461 155 G N -1.033 106.942 108.800 -1.375 0.000 2.572 155 G HA2 -0.106 3.854 3.960 0.000 0.000 0.216 155 G HA3 -0.106 3.854 3.960 0.000 0.000 0.216 155 G C 1.308 175.696 174.900 -0.852 0.000 1.133 155 G CA 0.610 44.577 45.100 -1.888 0.000 0.791 155 G HN 0.361 nan 8.290 nan 0.000 0.538 156 S N 1.776 117.354 115.700 -0.203 0.000 2.414 156 S HA -0.133 4.337 4.470 0.000 0.000 0.225 156 S C 0.426 175.010 174.600 -0.027 0.000 1.041 156 S CA 1.803 60.069 58.200 0.111 0.000 1.114 156 S CB -0.914 62.450 63.200 0.273 0.000 1.064 156 S HN 0.420 nan 8.310 nan 0.000 0.420 157 P HA -0.075 nan 4.420 nan 0.000 0.222 157 P C 0.926 178.162 177.300 -0.107 0.000 1.142 157 P CA 1.527 64.654 63.100 0.046 0.000 0.788 157 P CB -0.046 31.674 31.700 0.033 0.000 0.767 158 A N 0.358 123.020 122.820 -0.264 0.000 1.843 158 A HA -0.039 4.281 4.320 0.000 0.000 0.213 158 A C 2.353 179.797 177.584 -0.234 0.000 1.202 158 A CA 0.909 52.769 52.037 -0.296 0.000 0.607 158 A CB -1.344 17.304 19.000 -0.587 0.000 0.847 158 A HN 0.084 nan 8.150 nan 0.000 0.445 159 I N -1.373 119.020 120.570 -0.295 0.000 2.286 159 I HA -0.229 3.941 4.170 0.000 0.000 0.248 159 I C 2.363 178.374 176.117 -0.176 0.000 1.115 159 I CA 1.574 62.766 61.300 -0.181 0.000 1.392 159 I CB -0.320 37.605 38.000 -0.127 0.000 1.065 159 I HN 0.480 nan 8.210 nan 0.000 0.418 160 F N 1.561 121.313 119.950 -0.330 0.000 2.051 160 F HA -0.254 4.273 4.527 0.000 0.000 0.296 160 F C 2.573 178.174 175.800 -0.332 0.000 1.122 160 F CA 1.658 59.404 58.000 -0.422 0.000 1.201 160 F CB -0.498 38.013 39.000 -0.815 0.000 0.978 160 F HN -0.039 nan 8.300 nan 0.000 0.472 161 Q N -0.012 119.592 119.800 -0.326 0.000 2.576 161 Q HA -0.158 4.182 4.340 0.000 0.000 0.218 161 Q C 1.916 177.721 176.000 -0.324 0.000 0.983 161 Q CA 1.285 56.881 55.803 -0.344 0.000 0.920 161 Q CB -0.252 28.411 28.738 -0.124 0.000 0.973 161 Q HN 0.492 nan 8.270 nan 0.000 0.528 162 S N -1.783 113.736 115.700 -0.303 0.000 2.545 162 S HA 0.073 4.543 4.470 0.000 0.000 0.232 162 S C 1.806 176.234 174.600 -0.286 0.000 1.070 162 S CA 0.438 58.506 58.200 -0.221 0.000 0.923 162 S CB 0.208 63.337 63.200 -0.119 0.000 0.806 162 S HN 0.309 nan 8.310 nan 0.000 0.506 163 S N 1.610 117.098 115.700 -0.353 0.000 2.368 163 S HA 0.086 4.556 4.470 0.000 0.000 0.225 163 S C 1.701 176.013 174.600 -0.480 0.000 1.030 163 S CA 1.037 59.015 58.200 -0.371 0.000 0.999 163 S CB -0.280 62.719 63.200 -0.334 0.000 0.844 163 S HN 0.463 nan 8.310 nan 0.000 0.459 164 M N 1.062 120.270 119.600 -0.652 0.000 2.659 164 M HA 0.021 4.502 4.480 0.000 0.000 0.243 164 M C 1.115 177.153 176.300 -0.437 0.000 1.111 164 M CA 0.775 55.699 55.300 -0.628 0.000 1.070 164 M CB -0.477 31.588 32.600 -0.892 0.000 1.525 164 M HN 0.254 nan 8.290 nan 0.000 0.517 165 T N -0.430 113.907 114.554 -0.360 0.000 3.051 165 T HA 0.046 4.396 4.350 0.000 0.000 0.255 165 T C 1.751 176.333 174.700 -0.195 0.000 1.085 165 T CA 0.618 62.577 62.100 -0.234 0.000 1.109 165 T CB 0.322 69.079 68.868 -0.185 0.000 0.921 165 T HN 0.353 nan 8.240 nan 0.000 0.488 166 K N 0.705 120.953 120.400 -0.253 0.000 2.211 166 K HA 0.265 4.585 4.320 0.000 0.000 0.201 166 K C 1.990 178.404 176.600 -0.309 0.000 1.052 166 K CA 0.525 56.671 56.287 -0.234 0.000 0.973 166 K CB 0.026 32.374 32.500 -0.253 0.000 0.766 166 K HN 0.269 nan 8.250 nan 0.000 0.466 167 I N 1.249 121.533 120.570 -0.476 0.000 2.252 167 I HA -0.263 3.907 4.170 0.000 0.000 0.245 167 I C 2.001 177.978 176.117 -0.232 0.000 1.102 167 I CA 1.257 62.155 61.300 -0.670 0.000 1.385 167 I CB -0.090 37.419 38.000 -0.819 0.000 1.064 167 I HN 0.135 nan 8.210 nan 0.000 0.414 168 L N 0.110 121.251 121.223 -0.137 0.000 2.217 168 L HA -0.154 4.186 4.340 0.000 0.000 0.211 168 L C 2.367 179.342 176.870 0.175 0.000 1.107 168 L CA 0.777 55.649 54.840 0.054 0.000 0.783 168 L CB -0.501 41.554 42.059 -0.006 0.000 0.919 168 L HN 0.257 nan 8.230 nan 0.000 0.442 169 E N 0.513 120.756 120.200 0.072 0.000 2.108 169 E HA -0.246 4.104 4.350 0.000 0.000 0.203 169 E C -0.627 176.056 176.600 0.138 0.000 1.022 169 E CA 1.988 58.438 56.400 0.084 0.000 0.823 169 E CB -0.533 29.178 29.700 0.019 0.000 0.744 169 E HN 0.393 nan 8.360 nan 0.000 0.456 170 P HA -0.158 nan 4.420 nan 0.000 0.217 170 P C 1.332 178.711 177.300 0.132 0.000 1.151 170 P CA 1.015 64.213 63.100 0.165 0.000 0.828 170 P CB -0.177 31.659 31.700 0.227 0.000 0.788 171 F N 2.190 122.142 119.950 0.003 0.000 2.031 171 F HA -0.136 4.391 4.527 0.000 0.000 0.295 171 F C 2.554 178.346 175.800 -0.012 0.000 1.133 171 F CA 1.892 59.858 58.000 -0.057 0.000 1.188 171 F CB -0.715 38.301 39.000 0.027 0.000 0.974 171 F HN -0.271 nan 8.300 nan 0.000 0.473 172 K N 0.220 120.765 120.400 0.243 0.000 2.127 172 K HA -0.257 4.063 4.320 0.000 0.000 0.208 172 K C 2.098 178.690 176.600 -0.014 0.000 1.047 172 K CA 1.957 58.301 56.287 0.095 0.000 0.927 172 K CB -0.098 32.481 32.500 0.133 0.000 0.716 172 K HN 0.295 nan 8.250 nan 0.000 0.450 173 K N 0.051 120.454 120.400 0.004 0.000 2.007 173 K HA -0.141 4.179 4.320 0.000 0.000 0.206 173 K C 2.325 178.888 176.600 -0.062 0.000 1.047 173 K CA 1.646 57.923 56.287 -0.018 0.000 0.937 173 K CB -0.078 32.426 32.500 0.007 0.000 0.718 173 K HN 0.199 nan 8.250 nan 0.000 0.438 174 Q N 0.861 120.608 119.800 -0.089 0.000 2.045 174 Q HA -0.185 4.155 4.340 0.000 0.000 0.206 174 Q C -0.047 175.849 176.000 -0.173 0.000 0.991 174 Q CA 1.716 57.444 55.803 -0.126 0.000 0.851 174 Q CB -0.276 28.369 28.738 -0.155 0.000 0.911 174 Q HN 0.426 nan 8.270 nan 0.000 0.418 175 N N 0.170 118.700 118.700 -0.283 0.000 2.696 175 N HA 0.280 5.020 4.740 0.000 0.000 0.246 175 N C -2.766 172.602 175.510 -0.235 0.000 1.057 175 N CA -1.558 51.313 53.050 -0.297 0.000 0.867 175 N CB 1.375 39.580 38.487 -0.471 0.000 1.141 175 N HN -0.063 nan 8.380 nan 0.000 0.517 176 P HA 0.261 nan 4.420 nan 0.000 0.293 176 P C -0.348 176.923 177.300 -0.048 0.000 1.304 176 P CA 0.018 63.078 63.100 -0.067 0.000 0.767 176 P CB 0.837 32.512 31.700 -0.042 0.000 1.247 177 D N -2.140 118.252 120.400 -0.013 0.000 2.978 177 D HA -0.169 4.471 4.640 0.000 0.000 0.205 177 D C 0.443 176.755 176.300 0.021 0.000 1.093 177 D CA 0.782 54.785 54.000 0.004 0.000 1.006 177 D CB -0.782 40.017 40.800 -0.002 0.000 1.116 177 D HN 0.386 nan 8.370 nan 0.000 0.419 178 I N 1.929 122.507 120.570 0.012 0.000 3.626 178 I HA 0.051 4.221 4.170 0.000 0.000 0.345 178 I C 0.295 176.469 176.117 0.095 0.000 1.502 178 I CA -0.101 61.224 61.300 0.041 0.000 1.135 178 I CB -0.005 37.985 38.000 -0.018 0.000 1.456 178 I HN -0.262 nan 8.210 nan 0.000 0.460 179 V N 3.346 123.310 119.914 0.084 0.000 2.964 179 V HA -0.198 3.922 4.120 0.000 0.000 0.286 179 V C 0.688 176.855 176.094 0.122 0.000 1.363 179 V CA 1.340 63.695 62.300 0.092 0.000 1.411 179 V CB -0.494 31.370 31.823 0.068 0.000 0.835 179 V HN 0.281 nan 8.190 nan 0.000 0.487 180 I N 5.467 126.111 120.570 0.122 0.000 2.648 180 I HA 0.618 4.789 4.170 0.000 0.000 0.304 180 I C -0.564 175.633 176.117 0.135 0.000 1.009 180 I CA -0.750 60.627 61.300 0.128 0.000 1.114 180 I CB 1.968 40.031 38.000 0.106 0.000 1.293 180 I HN 0.676 nan 8.210 nan 0.000 0.449 181 Y N 3.938 124.237 120.300 -0.002 0.000 2.588 181 Y HA 0.538 5.088 4.550 0.000 0.000 0.343 181 Y C -1.259 174.624 175.900 -0.027 0.000 1.065 181 Y CA -0.668 57.395 58.100 -0.061 0.000 1.038 181 Y CB 1.999 40.356 38.460 -0.173 0.000 1.297 181 Y HN 0.600 nan 8.280 nan 0.000 0.467 182 Q N 3.731 122.874 119.800 -1.095 0.000 2.320 182 Q HA 0.453 4.793 4.340 0.000 0.000 0.272 182 Q C -2.692 172.970 176.000 -0.564 0.000 1.023 182 Q CA -0.723 54.754 55.803 -0.543 0.000 0.855 182 Q CB 1.973 30.560 28.738 -0.252 0.000 1.367 182 Q HN 0.688 nan 8.270 nan 0.000 0.406 183 Y N 5.590 125.764 120.300 -0.210 0.000 2.307 183 Y HA 0.432 4.982 4.550 0.000 0.000 0.323 183 Y C 0.258 176.259 175.900 0.169 0.000 1.100 183 Y CA -0.192 57.921 58.100 0.021 0.000 1.140 183 Y CB 0.942 39.554 38.460 0.252 0.000 1.159 183 Y HN 0.991 nan 8.280 nan 0.000 0.436 184 M N 1.686 121.103 119.600 -0.305 0.000 7.317 184 M HA -0.419 4.061 4.480 0.000 0.000 0.259 184 M C -0.329 176.009 176.300 0.065 0.000 0.480 184 M CA 2.733 57.951 55.300 -0.136 0.000 1.311 184 M CB -0.937 31.519 32.600 -0.240 0.000 0.423 184 M HN 0.697 nan 8.290 nan 0.000 0.345 185 D N 0.265 120.724 120.400 0.097 0.000 2.720 185 D HA 0.359 4.999 4.640 0.000 0.000 0.285 185 D C -1.198 175.203 176.300 0.168 0.000 1.359 185 D CA -0.193 53.869 54.000 0.103 0.000 0.818 185 D CB 0.597 41.420 40.800 0.038 0.000 1.108 185 D HN 0.211 nan 8.370 nan 0.000 0.474 186 D N 0.447 120.988 120.400 0.234 0.000 2.671 186 D HA 0.454 5.095 4.640 0.000 0.000 0.232 186 D C -0.958 175.509 176.300 0.279 0.000 1.114 186 D CA -0.424 53.750 54.000 0.290 0.000 0.858 186 D CB 2.137 43.249 40.800 0.520 0.000 1.544 186 D HN -0.081 nan 8.370 nan 0.000 0.471 187 L N 2.657 124.013 121.223 0.222 0.000 2.442 187 L HA 0.291 4.631 4.340 0.000 0.000 0.261 187 L C -1.032 175.938 176.870 0.168 0.000 1.000 187 L CA -0.713 54.234 54.840 0.180 0.000 0.882 187 L CB 0.893 43.002 42.059 0.084 0.000 1.207 187 L HN 0.364 nan 8.230 nan 0.000 0.443 188 Y N 3.038 123.346 120.300 0.013 0.000 2.636 188 Y HA 0.213 4.763 4.550 0.000 0.000 0.334 188 Y C 0.366 176.274 175.900 0.013 0.000 1.286 188 Y CA -0.515 57.548 58.100 -0.061 0.000 1.688 188 Y CB 0.186 38.535 38.460 -0.186 0.000 1.662 188 Y HN 0.143 nan 8.280 nan 0.000 0.465 189 V N 1.732 121.725 119.914 0.133 0.000 2.498 189 V HA 0.799 4.919 4.120 0.000 0.000 0.279 189 V C 0.648 176.878 176.094 0.226 0.000 1.048 189 V CA -0.448 61.949 62.300 0.161 0.000 0.967 189 V CB 1.029 32.932 31.823 0.134 0.000 0.988 189 V HN 0.727 nan 8.190 nan 0.000 0.473 190 G N 2.716 111.663 108.800 0.244 0.000 2.742 190 G HA2 0.708 4.668 3.960 0.000 0.000 0.296 190 G HA3 0.708 4.668 3.960 0.000 0.000 0.296 190 G C -0.838 174.250 174.900 0.314 0.000 1.436 190 G CA 0.141 45.437 45.100 0.327 0.000 0.928 190 G HN 0.996 nan 8.290 nan 0.000 0.520 191 S N -0.391 115.555 115.700 0.410 0.000 2.880 191 S HA 0.679 5.149 4.470 0.000 0.000 0.308 191 S C -1.472 173.228 174.600 0.167 0.000 1.195 191 S CA -0.781 57.569 58.200 0.250 0.000 0.866 191 S CB 2.108 65.453 63.200 0.241 0.000 1.254 191 S HN 0.253 nan 8.310 nan 0.000 0.571 192 D N 0.956 121.434 120.400 0.131 0.000 3.088 192 D HA 0.543 5.183 4.640 0.000 0.000 0.310 192 D C -0.969 175.388 176.300 0.096 0.000 1.351 192 D CA 0.002 54.054 54.000 0.087 0.000 0.921 192 D CB -0.096 40.738 40.800 0.056 0.000 1.045 192 D HN 0.378 nan 8.370 nan 0.000 0.504 193 L N 0.430 121.742 121.223 0.150 0.000 2.362 193 L HA 0.392 4.732 4.340 0.000 0.000 0.271 193 L C 0.333 177.272 176.870 0.115 0.000 1.002 193 L CA -1.104 53.823 54.840 0.146 0.000 0.818 193 L CB 2.086 44.272 42.059 0.210 0.000 1.298 193 L HN -0.155 nan 8.230 nan 0.000 0.420 194 E N 3.639 123.888 120.200 0.082 0.000 2.220 194 E HA 0.071 4.421 4.350 0.000 0.000 0.272 194 E C 1.254 177.902 176.600 0.080 0.000 1.099 194 E CA -0.175 56.260 56.400 0.059 0.000 0.907 194 E CB 0.716 30.442 29.700 0.043 0.000 1.022 194 E HN 0.462 nan 8.360 nan 0.000 0.428 195 I N 2.486 123.095 120.570 0.065 0.000 3.128 195 I HA -0.423 3.748 4.170 0.000 0.000 0.208 195 I C 1.876 178.062 176.117 0.115 0.000 0.807 195 I CA 2.554 63.902 61.300 0.079 0.000 1.159 195 I CB -1.918 36.106 38.000 0.039 0.000 0.912 195 I HN 0.644 nan 8.210 nan 0.000 0.348 196 G N -0.820 108.029 108.800 0.081 0.000 2.408 196 G HA2 -0.255 3.705 3.960 0.000 0.000 0.217 196 G HA3 -0.255 3.705 3.960 0.000 0.000 0.217 196 G C 1.520 176.468 174.900 0.080 0.000 1.150 196 G CA 0.798 45.941 45.100 0.072 0.000 0.776 196 G HN 0.583 nan 8.290 nan 0.000 0.542 197 Q N -0.820 119.030 119.800 0.084 0.000 2.230 197 Q HA -0.106 4.234 4.340 0.000 0.000 0.202 197 Q C 2.108 178.167 176.000 0.097 0.000 0.963 197 Q CA 0.638 56.485 55.803 0.073 0.000 0.866 197 Q CB -0.169 28.607 28.738 0.064 0.000 0.931 197 Q HN 0.668 nan 8.270 nan 0.000 0.452 198 H N -0.302 118.795 119.070 0.045 0.000 2.448 198 H HA 0.088 4.644 4.556 0.000 0.000 0.292 198 H C 1.505 176.872 175.328 0.066 0.000 1.035 198 H CA 0.546 56.628 56.048 0.058 0.000 1.349 198 H CB 0.568 30.364 29.762 0.058 0.000 1.425 198 H HN 0.073 nan 8.280 nan 0.000 0.539 199 R N 0.657 121.261 120.500 0.173 0.000 2.280 199 R HA -0.056 4.284 4.340 0.000 0.000 0.207 199 R C 2.051 178.393 176.300 0.071 0.000 1.043 199 R CA 1.114 57.286 56.100 0.121 0.000 1.006 199 R CB -0.292 30.070 30.300 0.102 0.000 0.885 199 R HN 0.540 nan 8.270 nan 0.000 0.467 200 T N -1.703 112.882 114.554 0.052 0.000 2.866 200 T HA 0.038 4.388 4.350 0.000 0.000 0.250 200 T C 1.760 176.488 174.700 0.045 0.000 1.033 200 T CA 0.210 62.336 62.100 0.043 0.000 1.145 200 T CB 0.055 68.943 68.868 0.034 0.000 0.866 200 T HN -0.107 nan 8.240 nan 0.000 0.434 201 K N 1.012 121.420 120.400 0.013 0.000 2.211 201 K HA 0.041 4.361 4.320 0.000 0.000 0.204 201 K C 2.138 178.808 176.600 0.117 0.000 1.047 201 K CA 0.652 56.972 56.287 0.054 0.000 0.935 201 K CB -0.448 32.016 32.500 -0.059 0.000 0.728 201 K HN 0.415 nan 8.250 nan 0.000 0.452 202 I N 0.448 121.036 120.570 0.030 0.000 2.333 202 I HA -0.152 4.018 4.170 0.000 0.000 0.246 202 I C 2.178 178.325 176.117 0.051 0.000 1.106 202 I CA 1.049 62.374 61.300 0.041 0.000 1.411 202 I CB -0.885 37.148 38.000 0.055 0.000 1.082 202 I HN 0.120 nan 8.210 nan 0.000 0.420 203 E N 1.305 121.541 120.200 0.061 0.000 2.285 203 E HA -0.152 4.198 4.350 0.000 0.000 0.194 203 E C 1.967 178.610 176.600 0.073 0.000 0.997 203 E CA 0.954 57.389 56.400 0.058 0.000 0.845 203 E CB 0.059 29.791 29.700 0.054 0.000 0.782 203 E HN 0.427 nan 8.360 nan 0.000 0.491 204 E N -0.344 119.922 120.200 0.110 0.000 2.047 204 E HA -0.156 4.194 4.350 0.000 0.000 0.191 204 E C 1.872 178.564 176.600 0.152 0.000 0.987 204 E CA 1.018 57.519 56.400 0.169 0.000 0.799 204 E CB -0.159 29.702 29.700 0.268 0.000 0.752 204 E HN 0.211 nan 8.360 nan 0.000 0.449 205 L N 1.562 122.817 121.223 0.053 0.000 1.994 205 L HA -0.170 4.170 4.340 0.000 0.000 0.208 205 L C 2.292 179.113 176.870 -0.081 0.000 1.071 205 L CA 1.834 56.514 54.840 -0.266 0.000 0.745 205 L CB -0.496 41.334 42.059 -0.380 0.000 0.892 205 L HN -0.069 nan 8.230 nan 0.000 0.431 206 R N -1.252 119.236 120.500 -0.020 0.000 2.211 206 R HA -0.177 4.163 4.340 0.000 0.000 0.240 206 R C 1.836 178.156 176.300 0.034 0.000 1.144 206 R CA 1.381 57.486 56.100 0.010 0.000 0.992 206 R CB 0.027 30.342 30.300 0.025 0.000 0.869 206 R HN 0.542 nan 8.270 nan 0.000 0.462 207 Q N -1.594 118.240 119.800 0.057 0.000 2.391 207 Q HA -0.063 4.277 4.340 0.000 0.000 0.211 207 Q C 1.576 177.643 176.000 0.113 0.000 0.908 207 Q CA 0.733 56.578 55.803 0.071 0.000 0.920 207 Q CB 0.104 28.882 28.738 0.067 0.000 1.056 207 Q HN 0.623 nan 8.270 nan 0.000 0.523 208 H N 0.484 119.563 119.070 0.016 0.000 2.363 208 H HA 0.010 4.566 4.556 0.000 0.000 0.301 208 H C 1.941 177.340 175.328 0.120 0.000 1.074 208 H CA 0.764 56.844 56.048 0.054 0.000 1.354 208 H CB 0.350 30.145 29.762 0.054 0.000 1.397 208 H HN 0.098 nan 8.280 nan 0.000 0.516 209 L N 0.437 121.684 121.223 0.040 0.000 1.994 209 L HA -0.203 4.138 4.340 0.000 0.000 0.208 209 L C 2.634 179.539 176.870 0.059 0.000 1.071 209 L CA 0.464 55.306 54.840 0.004 0.000 0.745 209 L CB -0.437 41.614 42.059 -0.012 0.000 0.892 209 L HN 0.316 nan 8.230 nan 0.000 0.431 210 L N 0.166 121.418 121.223 0.049 0.000 2.349 210 L HA -0.172 4.168 4.340 0.000 0.000 0.220 210 L C 2.533 179.422 176.870 0.032 0.000 1.130 210 L CA 1.662 56.529 54.840 0.045 0.000 0.791 210 L CB -0.952 41.130 42.059 0.037 0.000 0.918 210 L HN 0.288 nan 8.230 nan 0.000 0.444 211 R N -2.994 117.514 120.500 0.013 0.000 2.223 211 R HA -0.102 4.239 4.340 0.000 0.000 0.198 211 R C 1.629 177.849 176.300 -0.133 0.000 0.984 211 R CA 0.538 56.596 56.100 -0.070 0.000 1.018 211 R CB -0.069 30.172 30.300 -0.099 0.000 0.945 211 R HN 0.355 nan 8.270 nan 0.000 0.479 212 W N -0.271 120.979 121.300 -0.082 0.000 3.290 212 W HA 0.118 4.778 4.660 0.000 0.000 0.287 212 W C 1.173 177.655 176.519 -0.062 0.000 1.288 212 W CA 0.453 57.734 57.345 -0.106 0.000 1.725 212 W CB 0.917 30.237 29.460 -0.232 0.000 1.103 212 W HN 0.343 nan 8.180 nan 0.000 0.670 213 G N 0.484 109.394 108.800 0.183 0.000 2.349 213 G HA2 -0.284 3.676 3.960 0.000 0.000 0.213 213 G HA3 -0.284 3.676 3.960 0.000 0.000 0.213 213 G C 0.083 175.050 174.900 0.111 0.000 1.044 213 G CA -0.097 45.084 45.100 0.135 0.000 0.633 213 G HN 0.141 nan 8.290 nan 0.000 0.506 214 L N 1.862 123.152 121.223 0.112 0.000 2.363 214 L HA 0.717 5.058 4.340 0.000 0.000 0.286 214 L C 0.354 177.272 176.870 0.081 0.000 1.106 214 L CA -0.430 54.471 54.840 0.101 0.000 0.859 214 L CB 0.398 42.526 42.059 0.115 0.000 1.223 214 L HN 0.012 nan 8.230 nan 0.000 0.446 215 T N 2.313 116.911 114.554 0.073 0.000 2.928 215 T HA 0.230 4.580 4.350 0.000 0.000 0.305 215 T C 0.502 175.235 174.700 0.055 0.000 1.035 215 T CA 0.223 62.357 62.100 0.057 0.000 1.145 215 T CB 0.322 69.219 68.868 0.048 0.000 0.963 215 T HN 0.734 nan 8.240 nan 0.000 0.545 216 T N 5.547 120.129 114.554 0.046 0.000 3.141 216 T HA 0.319 4.669 4.350 0.000 0.000 0.377 216 T C -2.357 172.367 174.700 0.039 0.000 1.258 216 T CA -1.039 61.088 62.100 0.045 0.000 1.263 216 T CB 1.162 70.056 68.868 0.043 0.000 1.066 216 T HN 0.250 nan 8.240 nan 0.000 0.546 217 P HA 0.223 nan 4.420 nan 0.000 0.269 217 P C 0.420 177.742 177.300 0.037 0.000 1.601 217 P CA 0.114 63.234 63.100 0.033 0.000 0.831 217 P CB -0.671 31.046 31.700 0.028 0.000 1.688 218 D N -0.090 120.335 120.400 0.041 0.000 2.934 218 D HA 0.298 4.939 4.640 0.000 0.000 0.237 218 D C 0.874 177.202 176.300 0.045 0.000 1.158 218 D CA -0.271 53.757 54.000 0.046 0.000 0.971 218 D CB -1.073 39.757 40.800 0.051 0.000 1.123 218 D HN 0.263 nan 8.370 nan 0.000 0.467 219 K N 0.394 120.818 120.400 0.040 0.000 2.355 219 K HA 0.351 4.671 4.320 0.000 0.000 0.238 219 K C 1.309 177.934 176.600 0.041 0.000 1.303 219 K CA 1.213 57.522 56.287 0.037 0.000 1.264 219 K CB -2.257 30.262 32.500 0.033 0.000 0.752 219 K HN 2.201 nan 8.250 nan 0.000 0.542 220 K N -0.334 120.092 120.400 0.043 0.000 3.653 220 K HA 0.173 4.493 4.320 0.000 0.000 0.275 220 K C 1.163 177.799 176.600 0.059 0.000 0.962 220 K CA 2.479 58.795 56.287 0.049 0.000 0.773 220 K CB -3.058 29.468 32.500 0.044 0.000 1.463 220 K HN 2.910 nan 8.250 nan 0.000 0.450 221 H N -4.785 114.324 119.070 0.065 0.000 2.899 221 H HA 0.152 4.708 4.556 0.000 0.000 0.282 221 H C 1.713 177.087 175.328 0.077 0.000 1.198 221 H CA 2.134 58.231 56.048 0.081 0.000 1.140 221 H CB -2.804 27.022 29.762 0.106 0.000 1.317 221 H HN 2.679 nan 8.280 nan 0.000 0.375 222 Q N 0.911 120.749 119.800 0.064 0.000 2.434 222 Q HA 0.433 4.773 4.340 0.000 0.000 0.155 222 Q C 0.436 176.479 176.000 0.072 0.000 1.025 222 Q CA 1.260 57.099 55.803 0.059 0.000 0.960 222 Q CB -0.566 28.202 28.738 0.050 0.000 1.654 222 Q HN 0.875 nan 8.270 nan 0.000 0.414 223 K N 1.187 121.637 120.400 0.084 0.000 2.587 223 K HA 0.250 4.570 4.320 0.000 0.000 0.256 223 K C -1.189 175.446 176.600 0.057 0.000 0.974 223 K CA -0.734 55.624 56.287 0.117 0.000 0.855 223 K CB 1.599 34.223 32.500 0.207 0.000 1.292 223 K HN 0.709 nan 8.250 nan 0.000 0.444 224 E N 3.203 123.370 120.200 -0.055 0.000 2.354 224 E HA 0.205 4.555 4.350 0.000 0.000 0.269 224 E C -1.660 174.609 176.600 -0.551 0.000 1.036 224 E CA -1.693 54.592 56.400 -0.191 0.000 0.876 224 E CB 0.236 29.858 29.700 -0.131 0.000 1.009 224 E HN 0.168 nan 8.360 nan 0.000 0.416 225 P HA -0.125 nan 4.420 nan 0.000 0.218 225 P C -1.753 175.234 177.300 -0.523 0.000 1.147 225 P CA 1.291 64.142 63.100 -0.416 0.000 0.827 225 P CB -1.252 30.368 31.700 -0.134 0.000 0.778 226 P HA 0.234 nan 4.420 nan 0.000 0.292 226 P C -0.802 176.348 177.300 -0.250 0.000 1.326 226 P CA -0.240 62.797 63.100 -0.106 0.000 0.787 226 P CB 0.406 32.127 31.700 0.036 0.000 0.903 227 F N 2.086 122.158 119.950 0.203 0.000 2.480 227 F HA 0.388 4.915 4.527 0.000 0.000 0.329 227 F C 0.745 176.706 175.800 0.269 0.000 1.091 227 F CA -1.027 57.105 58.000 0.220 0.000 0.972 227 F CB 1.961 41.113 39.000 0.253 0.000 1.150 227 F HN 0.129 nan 8.300 nan 0.000 0.467 228 L N 4.482 126.022 121.223 0.529 0.000 2.417 228 L HA 0.222 4.562 4.340 0.000 0.000 0.258 228 L C -1.091 176.072 176.870 0.488 0.000 1.088 228 L CA -0.245 54.841 54.840 0.411 0.000 0.975 228 L CB 0.098 42.331 42.059 0.291 0.000 1.341 228 L HN 0.706 nan 8.230 nan 0.000 0.431 229 W N 7.372 128.867 121.300 0.325 0.000 2.311 229 W HA 0.226 4.886 4.660 0.000 0.000 0.317 229 W C -0.299 176.382 176.519 0.271 0.000 1.065 229 W CA -0.920 56.573 57.345 0.246 0.000 1.364 229 W CB 1.047 30.582 29.460 0.125 0.000 1.233 229 W HN 0.404 nan 8.180 nan 0.000 0.409 230 M N 5.938 125.474 119.600 -0.107 0.000 2.175 230 M HA -0.253 4.227 4.480 0.000 0.000 0.192 230 M C 1.164 177.420 176.300 -0.073 0.000 0.473 230 M CA 1.877 57.005 55.300 -0.286 0.000 0.414 230 M CB -2.467 29.670 32.600 -0.773 0.000 1.069 230 M HN 0.998 nan 8.290 nan 0.000 0.933 231 G N -1.521 107.292 108.800 0.021 0.000 2.417 231 G HA2 -0.336 3.624 3.960 0.000 0.000 0.233 231 G HA3 -0.336 3.624 3.960 0.000 0.000 0.233 231 G C -0.065 174.938 174.900 0.172 0.000 1.103 231 G CA 0.234 45.353 45.100 0.033 0.000 0.647 231 G HN 0.585 nan 8.290 nan 0.000 0.512 232 Y N 2.572 123.015 120.300 0.238 0.000 2.620 232 Y HA 0.430 4.980 4.550 0.000 0.000 0.330 232 Y C 0.991 177.068 175.900 0.294 0.000 1.186 232 Y CA 0.865 59.142 58.100 0.295 0.000 1.467 232 Y CB 0.379 38.983 38.460 0.240 0.000 1.262 232 Y HN 0.572 nan 8.280 nan 0.000 0.550 233 E N 5.150 125.574 120.200 0.372 0.000 2.081 233 E HA 0.557 4.907 4.350 0.000 0.000 0.281 233 E C -1.200 175.470 176.600 0.116 0.000 0.986 233 E CA -0.682 55.843 56.400 0.208 0.000 0.796 233 E CB 0.414 30.174 29.700 0.099 0.000 1.085 233 E HN 0.708 nan 8.360 nan 0.000 0.398 234 L N 2.907 124.238 121.223 0.180 0.000 2.313 234 L HA 0.542 4.882 4.340 0.000 0.000 0.283 234 L C -0.230 176.716 176.870 0.127 0.000 1.013 234 L CA -0.759 54.215 54.840 0.224 0.000 0.816 234 L CB 1.576 43.920 42.059 0.475 0.000 1.236 234 L HN 0.748 nan 8.230 nan 0.000 0.419 235 H N 2.924 122.173 119.070 0.298 0.000 2.572 235 H HA 0.258 4.814 4.556 0.000 0.000 0.359 235 H C -1.726 173.743 175.328 0.234 0.000 1.134 235 H CA -1.989 54.166 56.048 0.178 0.000 1.187 235 H CB 1.688 31.503 29.762 0.089 0.000 1.597 235 H HN 0.389 nan 8.280 nan 0.000 0.524 236 P HA -0.176 nan 4.420 nan 0.000 0.231 236 P C -0.008 177.473 177.300 0.300 0.000 1.154 236 P CA 1.376 64.642 63.100 0.277 0.000 0.762 236 P CB 0.274 32.067 31.700 0.155 0.000 0.790 237 D N -1.868 118.676 120.400 0.240 0.000 2.530 237 D HA 0.049 4.689 4.640 0.000 0.000 0.290 237 D C 0.209 176.385 176.300 -0.207 0.000 1.398 237 D CA -0.053 54.021 54.000 0.124 0.000 0.848 237 D CB 0.236 41.095 40.800 0.098 0.000 1.279 237 D HN 0.292 nan 8.370 nan 0.000 0.483 238 K N -0.895 119.321 120.400 -0.308 0.000 2.615 238 K HA 0.587 4.908 4.320 0.000 0.000 0.291 238 K C -1.496 175.028 176.600 -0.126 0.000 1.017 238 K CA -1.097 54.971 56.287 -0.365 0.000 0.882 238 K CB 1.542 33.986 32.500 -0.093 0.000 1.522 238 K HN 0.059 nan 8.250 nan 0.000 0.412 239 W N -0.019 121.161 121.300 -0.201 0.000 3.062 239 W HA 0.820 5.480 4.660 0.000 0.000 0.336 239 W C -1.587 174.924 176.519 -0.013 0.000 1.224 239 W CA -0.824 56.489 57.345 -0.054 0.000 1.159 239 W CB 1.077 30.595 29.460 0.096 0.000 1.454 239 W HN 0.839 nan 8.180 nan 0.000 0.569 240 T N 0.171 114.669 114.554 -0.093 0.000 2.649 240 T HA 0.267 4.617 4.350 0.000 0.000 0.287 240 T C -1.565 173.196 174.700 0.103 0.000 1.933 240 T CA -0.677 61.264 62.100 -0.265 0.000 0.943 240 T CB 1.254 69.948 68.868 -0.291 0.000 2.078 240 T HN 0.413 nan 8.240 nan 0.000 0.455 241 V N 1.713 121.678 119.914 0.086 0.000 2.417 241 V HA 0.416 4.536 4.120 0.000 0.000 0.291 241 V C 0.822 177.020 176.094 0.173 0.000 1.024 241 V CA -0.423 61.984 62.300 0.179 0.000 0.861 241 V CB 1.477 33.444 31.823 0.239 0.000 0.985 241 V HN 0.840 nan 8.190 nan 0.000 0.436 242 Q N 4.266 124.165 119.800 0.165 0.000 1.937 242 Q HA 0.144 4.484 4.340 0.000 0.000 0.198 242 Q C -1.522 174.559 176.000 0.135 0.000 0.977 242 Q CA 1.083 56.977 55.803 0.151 0.000 0.836 242 Q CB -0.485 28.343 28.738 0.151 0.000 0.899 242 Q HN 0.659 nan 8.270 nan 0.000 0.437 243 P HA 0.188 nan 4.420 nan 0.000 0.282 243 P C -1.218 176.131 177.300 0.082 0.000 1.274 243 P CA 0.236 63.387 63.100 0.086 0.000 0.770 243 P CB 0.969 32.709 31.700 0.068 0.000 0.867 244 I N 4.268 124.880 120.570 0.069 0.000 2.857 244 I HA 0.058 4.229 4.170 0.000 0.000 0.314 244 I C -0.775 175.351 176.117 0.016 0.000 1.527 244 I CA -0.598 60.733 61.300 0.051 0.000 0.786 244 I CB 0.764 38.812 38.000 0.078 0.000 2.127 244 I HN 0.034 nan 8.210 nan 0.000 0.596 245 V N 2.881 122.806 119.914 0.019 0.000 2.322 245 V HA 0.480 4.601 4.120 0.000 0.000 0.258 245 V C -0.017 176.087 176.094 0.017 0.000 1.074 245 V CA -0.554 61.755 62.300 0.016 0.000 0.909 245 V CB 0.166 32.003 31.823 0.024 0.000 1.090 245 V HN 0.386 nan 8.190 nan 0.000 0.486 246 L N 5.397 126.628 121.223 0.013 0.000 2.282 246 L HA 0.678 5.018 4.340 0.000 0.000 0.287 246 L C -1.360 175.550 176.870 0.067 0.000 1.075 246 L CA -1.469 53.388 54.840 0.029 0.000 0.839 246 L CB -0.276 41.787 42.059 0.006 0.000 1.219 246 L HN 0.380 nan 8.230 nan 0.000 0.434 247 P HA 0.415 nan 4.420 nan 0.000 0.274 247 P C -0.335 177.095 177.300 0.217 0.000 1.264 247 P CA 0.022 63.191 63.100 0.115 0.000 0.795 247 P CB 0.557 32.317 31.700 0.100 0.000 1.064 248 E N -0.301 119.979 120.200 0.134 0.000 2.393 248 E HA 0.600 4.950 4.350 0.000 0.000 0.273 248 E C -0.480 175.979 176.600 -0.236 0.000 0.918 248 E CA -0.846 55.578 56.400 0.040 0.000 0.773 248 E CB 1.789 31.488 29.700 -0.002 0.000 1.275 248 E HN 0.406 nan 8.360 nan 0.000 0.451 249 K N -0.344 119.596 120.400 -0.767 0.000 1.956 249 K HA 0.471 4.791 4.320 0.000 0.000 0.245 249 K C -0.389 175.801 176.600 -0.684 0.000 1.015 249 K CA 0.204 56.109 56.287 -0.636 0.000 0.864 249 K CB 0.930 33.059 32.500 -0.618 0.000 1.570 249 K HN 0.737 nan 8.250 nan 0.000 0.577 250 D N -1.361 118.714 120.400 -0.541 0.000 2.510 250 D HA 0.030 4.670 4.640 0.000 0.000 0.234 250 D C -0.335 175.760 176.300 -0.343 0.000 1.178 250 D CA -0.003 53.764 54.000 -0.388 0.000 0.816 250 D CB 0.634 41.302 40.800 -0.221 0.000 1.143 250 D HN 0.301 nan 8.370 nan 0.000 0.526 251 S N 0.222 115.691 115.700 -0.385 0.000 2.849 251 S HA 0.294 4.764 4.470 0.000 0.000 0.141 251 S C -0.970 173.611 174.600 -0.032 0.000 1.109 251 S CA -1.024 57.068 58.200 -0.180 0.000 1.106 251 S CB -1.375 61.777 63.200 -0.081 0.000 1.637 251 S HN 0.282 nan 8.310 nan 0.000 0.457 252 W N 1.923 123.220 121.300 -0.005 0.000 2.381 252 W HA 0.776 5.437 4.660 0.000 0.000 0.329 252 W C 0.390 176.907 176.519 -0.005 0.000 1.157 252 W CA -0.918 56.424 57.345 -0.005 0.000 1.240 252 W CB -0.813 28.643 29.460 -0.006 0.000 1.199 252 W HN 0.439 nan 8.180 nan 0.000 0.579 253 T N -1.465 113.238 114.554 0.248 0.000 2.732 253 T HA 0.225 4.576 4.350 0.000 0.000 0.287 253 T C 0.905 175.627 174.700 0.037 0.000 0.993 253 T CA -0.288 61.881 62.100 0.114 0.000 0.966 253 T CB 0.781 69.693 68.868 0.074 0.000 1.047 253 T HN 0.395 nan 8.240 nan 0.000 0.527 254 V N 1.459 121.376 119.914 0.005 0.000 2.515 254 V HA -0.156 3.964 4.120 0.000 0.000 0.250 254 V C 2.929 178.992 176.094 -0.052 0.000 1.058 254 V CA 1.885 64.162 62.300 -0.040 0.000 1.064 254 V CB -1.365 30.443 31.823 -0.024 0.000 0.675 254 V HN 0.983 nan 8.190 nan 0.000 0.461 255 N N 0.663 119.350 118.700 -0.021 0.000 2.192 255 N HA -0.240 4.500 4.740 0.000 0.000 0.188 255 N C 1.306 176.793 175.510 -0.040 0.000 1.013 255 N CA 1.924 54.961 53.050 -0.021 0.000 0.863 255 N CB -0.056 38.432 38.487 0.002 0.000 0.990 255 N HN 0.578 nan 8.380 nan 0.000 0.430 256 D N -0.270 120.102 120.400 -0.047 0.000 2.389 256 D HA 0.107 4.747 4.640 0.000 0.000 0.206 256 D C 1.695 177.844 176.300 -0.252 0.000 1.055 256 D CA -0.008 53.942 54.000 -0.082 0.000 0.856 256 D CB 0.477 41.302 40.800 0.042 0.000 0.957 256 D HN 0.399 nan 8.370 nan 0.000 0.509 257 I N 0.848 121.235 120.570 -0.305 0.000 2.876 257 I HA -0.114 4.056 4.170 0.000 0.000 0.264 257 I C 2.235 178.202 176.117 -0.249 0.000 1.204 257 I CA 0.542 61.592 61.300 -0.416 0.000 1.485 257 I CB 0.019 37.785 38.000 -0.390 0.000 1.103 257 I HN -0.167 nan 8.210 nan 0.000 0.446 258 Q N 0.868 120.569 119.800 -0.165 0.000 2.245 258 Q HA -0.107 4.233 4.340 0.000 0.000 0.201 258 Q C 1.951 177.887 176.000 -0.106 0.000 0.955 258 Q CA 0.955 56.690 55.803 -0.113 0.000 0.870 258 Q CB 0.108 28.799 28.738 -0.079 0.000 0.945 258 Q HN 0.446 nan 8.270 nan 0.000 0.461 259 K N 0.289 120.620 120.400 -0.116 0.000 2.167 259 K HA -0.080 4.240 4.320 0.000 0.000 0.203 259 K C 1.952 178.485 176.600 -0.111 0.000 1.052 259 K CA 0.452 56.680 56.287 -0.099 0.000 0.956 259 K CB 0.052 32.503 32.500 -0.082 0.000 0.735 259 K HN 0.057 nan 8.250 nan 0.000 0.451 260 L N 0.749 121.873 121.223 -0.165 0.000 2.027 260 L HA -0.128 4.212 4.340 0.000 0.000 0.206 260 L C 1.797 178.590 176.870 -0.129 0.000 1.074 260 L CA 1.421 56.151 54.840 -0.182 0.000 0.745 260 L CB -0.101 41.752 42.059 -0.344 0.000 0.898 260 L HN -0.136 nan 8.230 nan 0.000 0.433 261 V N 0.172 120.009 119.914 -0.128 0.000 3.141 261 V HA -0.074 4.046 4.120 0.000 0.000 0.265 261 V C 2.378 178.447 176.094 -0.041 0.000 1.126 261 V CA 1.242 63.493 62.300 -0.081 0.000 1.141 261 V CB -1.335 30.440 31.823 -0.080 0.000 0.743 261 V HN 0.629 nan 8.190 nan 0.000 0.492 262 G N 0.046 108.816 108.800 -0.049 0.000 2.425 262 G HA2 -0.137 3.823 3.960 0.000 0.000 0.213 262 G HA3 -0.137 3.823 3.960 0.000 0.000 0.213 262 G C 1.622 176.533 174.900 0.018 0.000 1.201 262 G CA 0.388 45.474 45.100 -0.024 0.000 0.799 262 G HN 0.416 nan 8.290 nan 0.000 0.534 263 K N -0.001 120.395 120.400 -0.007 0.000 2.032 263 K HA 0.030 4.350 4.320 0.000 0.000 0.209 263 K C 2.532 179.175 176.600 0.072 0.000 1.048 263 K CA 0.935 57.245 56.287 0.037 0.000 0.927 263 K CB -0.369 32.128 32.500 -0.005 0.000 0.712 263 K HN 0.219 nan 8.250 nan 0.000 0.441 264 L N 0.831 122.063 121.223 0.015 0.000 2.127 264 L HA -0.229 4.111 4.340 0.000 0.000 0.211 264 L C 2.137 179.030 176.870 0.038 0.000 1.089 264 L CA 1.181 56.020 54.840 -0.001 0.000 0.757 264 L CB -0.511 41.532 42.059 -0.026 0.000 0.899 264 L HN 0.341 nan 8.230 nan 0.000 0.434 265 N N -0.647 118.097 118.700 0.073 0.000 2.080 265 N HA -0.245 4.495 4.740 0.000 0.000 0.189 265 N C 1.870 177.480 175.510 0.166 0.000 1.036 265 N CA 1.089 54.200 53.050 0.102 0.000 0.846 265 N CB -0.154 38.396 38.487 0.105 0.000 1.015 265 N HN 0.416 nan 8.380 nan 0.000 0.423 266 W N 1.950 123.243 121.300 -0.013 0.000 2.338 266 W HA -0.181 4.480 4.660 0.000 0.000 0.304 266 W C 1.931 178.472 176.519 0.036 0.000 1.212 266 W CA 1.465 58.808 57.345 -0.004 0.000 1.264 266 W CB -0.164 29.270 29.460 -0.043 0.000 1.142 266 W HN 0.084 nan 8.180 nan 0.000 0.512 267 A N 0.282 123.180 122.820 0.131 0.000 2.178 267 A HA -0.148 4.172 4.320 0.000 0.000 0.218 267 A C 1.871 179.500 177.584 0.076 0.000 1.157 267 A CA 1.742 53.816 52.037 0.062 0.000 0.689 267 A CB -0.877 18.090 19.000 -0.054 0.000 0.787 267 A HN 0.277 nan 8.150 nan 0.000 0.465 268 S N 0.044 115.758 115.700 0.024 0.000 2.469 268 S HA -0.187 4.283 4.470 0.000 0.000 0.238 268 S C 1.823 176.418 174.600 -0.008 0.000 0.998 268 S CA 1.278 59.486 58.200 0.013 0.000 0.957 268 S CB -0.251 62.951 63.200 0.003 0.000 0.764 268 S HN 0.778 nan 8.310 nan 0.000 0.514 269 Q N 0.268 120.053 119.800 -0.026 0.000 2.084 269 Q HA -0.111 4.230 4.340 0.000 0.000 0.202 269 Q C 1.664 177.740 176.000 0.126 0.000 0.978 269 Q CA 1.457 57.304 55.803 0.074 0.000 0.844 269 Q CB -0.345 28.476 28.738 0.138 0.000 0.898 269 Q HN 0.606 nan 8.270 nan 0.000 0.426 270 I N -2.387 118.175 120.570 -0.013 0.000 3.132 270 I HA -0.041 4.129 4.170 0.000 0.000 0.255 270 I C 0.270 176.254 176.117 -0.223 0.000 1.118 270 I CA -0.012 61.145 61.300 -0.238 0.000 1.463 270 I CB -0.633 37.000 38.000 -0.613 0.000 1.356 270 I HN -0.069 nan 8.210 nan 0.000 0.463 271 Y N 5.121 125.339 120.300 -0.136 0.000 2.781 271 Y HA 0.087 4.637 4.550 0.000 0.000 0.365 271 Y C -1.800 174.054 175.900 -0.076 0.000 1.291 271 Y CA -2.255 55.785 58.100 -0.099 0.000 1.772 271 Y CB -1.238 37.180 38.460 -0.069 0.000 1.361 271 Y HN 0.115 nan 8.280 nan 0.000 0.484 272 P HA 0.015 nan 4.420 nan 0.000 0.253 272 P C 0.414 177.734 177.300 0.034 0.000 1.170 272 P CA 0.968 64.073 63.100 0.008 0.000 0.806 272 P CB 0.342 32.037 31.700 -0.008 0.000 0.775 273 G N 3.270 112.082 108.800 0.020 0.000 3.436 273 G HA2 -0.016 3.944 3.960 0.000 0.000 0.685 273 G HA3 -0.016 3.944 3.960 0.000 0.000 0.685 273 G C -0.976 173.936 174.900 0.020 0.000 1.039 273 G CA -0.788 44.323 45.100 0.018 0.000 0.879 273 G HN 0.591 nan 8.290 nan 0.000 0.478 274 I N 1.719 122.294 120.570 0.007 0.000 2.746 274 I HA 0.450 4.621 4.170 0.000 0.000 0.290 274 I C -0.892 175.224 176.117 -0.002 0.000 1.600 274 I CA -1.026 60.274 61.300 -0.001 0.000 1.019 274 I CB 2.500 40.500 38.000 -0.001 0.000 1.426 274 I HN 0.745 nan 8.210 nan 0.000 0.460 275 K N 4.972 125.367 120.400 -0.008 0.000 2.535 275 K HA 0.582 4.902 4.320 0.000 0.000 0.251 275 K C -1.119 175.473 176.600 -0.013 0.000 0.942 275 K CA -0.745 55.538 56.287 -0.008 0.000 0.798 275 K CB 2.520 35.013 32.500 -0.013 0.000 1.267 275 K HN 0.237 nan 8.250 nan 0.000 0.434 276 V N 1.242 121.149 119.914 -0.012 0.000 3.006 276 V HA 0.099 4.219 4.120 0.000 0.000 0.357 276 V C 1.984 178.064 176.094 -0.023 0.000 1.377 276 V CA 0.527 62.816 62.300 -0.020 0.000 1.198 276 V CB -0.375 31.439 31.823 -0.015 0.000 1.216 276 V HN 0.867 nan 8.190 nan 0.000 0.520 277 R N 0.886 121.373 120.500 -0.021 0.000 2.092 277 R HA -0.166 4.174 4.340 0.000 0.000 0.226 277 R C 1.912 178.198 176.300 -0.024 0.000 1.140 277 R CA 2.113 58.199 56.100 -0.024 0.000 0.910 277 R CB -1.190 29.095 30.300 -0.025 0.000 0.822 277 R HN 0.640 nan 8.270 nan 0.000 0.433 278 Q N 0.596 120.384 119.800 -0.022 0.000 2.364 278 Q HA 0.032 4.372 4.340 0.000 0.000 0.209 278 Q C 2.048 178.035 176.000 -0.021 0.000 0.977 278 Q CA 0.869 56.661 55.803 -0.018 0.000 0.885 278 Q CB 0.021 28.752 28.738 -0.011 0.000 0.941 278 Q HN 0.343 nan 8.270 nan 0.000 0.464 279 L N 0.358 121.562 121.223 -0.032 0.000 2.240 279 L HA -0.051 4.289 4.340 0.000 0.000 0.211 279 L C 2.281 179.112 176.870 -0.066 0.000 1.106 279 L CA 1.589 56.396 54.840 -0.055 0.000 0.793 279 L CB -0.911 41.105 42.059 -0.073 0.000 0.927 279 L HN 0.272 nan 8.230 nan 0.000 0.446 280 S N -1.889 113.782 115.700 -0.049 0.000 2.502 280 S HA -0.034 4.436 4.470 0.000 0.000 0.215 280 S C 1.843 176.424 174.600 -0.032 0.000 1.009 280 S CA -0.163 58.010 58.200 -0.045 0.000 0.908 280 S CB 0.161 63.339 63.200 -0.036 0.000 0.801 280 S HN 0.194 nan 8.310 nan 0.000 0.505 281 K N 1.879 122.263 120.400 -0.026 0.000 2.113 281 K HA -0.075 4.245 4.320 0.000 0.000 0.208 281 K C 1.975 178.567 176.600 -0.014 0.000 1.047 281 K CA 1.821 58.097 56.287 -0.018 0.000 0.928 281 K CB -0.506 31.984 32.500 -0.016 0.000 0.716 281 K HN 0.693 nan 8.250 nan 0.000 0.446 282 L N -1.386 119.828 121.223 -0.016 0.000 2.558 282 L HA 0.150 4.491 4.340 0.000 0.000 0.225 282 L C 1.647 178.509 176.870 -0.014 0.000 1.128 282 L CA 0.103 54.937 54.840 -0.010 0.000 0.868 282 L CB -0.200 41.857 42.059 -0.002 0.000 1.006 282 L HN -0.033 nan 8.230 nan 0.000 0.454 283 L N 1.362 122.571 121.223 -0.025 0.000 2.633 283 L HA -0.046 4.294 4.340 0.000 0.000 0.235 283 L C 3.045 179.906 176.870 -0.016 0.000 1.163 283 L CA 1.492 56.316 54.840 -0.028 0.000 0.859 283 L CB -0.715 41.320 42.059 -0.040 0.000 0.973 283 L HN 0.437 nan 8.230 nan 0.000 0.451 284 R N 0.396 120.891 120.500 -0.009 0.000 2.140 284 R HA -0.141 4.199 4.340 0.000 0.000 0.250 284 R C 1.589 177.889 176.300 -0.001 0.000 1.150 284 R CA 1.430 57.528 56.100 -0.002 0.000 0.966 284 R CB -2.382 27.919 30.300 0.002 0.000 0.869 284 R HN 0.544 nan 8.270 nan 0.000 0.445 285 G N 0.195 108.995 108.800 -0.000 0.000 2.661 285 G HA2 0.395 4.355 3.960 0.000 0.000 0.292 285 G HA3 0.395 4.355 3.960 0.000 0.000 0.292 285 G C 0.856 175.755 174.900 -0.002 0.000 0.781 285 G CA 0.360 45.461 45.100 0.002 0.000 1.860 285 G HN 0.851 nan 8.290 nan 0.000 0.512 286 T N 0.065 114.618 114.554 -0.001 0.000 3.565 286 T HA 0.510 4.861 4.350 0.000 0.000 0.248 286 T C 1.408 176.107 174.700 -0.001 0.000 1.033 286 T CA 0.978 63.077 62.100 -0.003 0.000 0.952 286 T CB -0.524 68.344 68.868 -0.001 0.000 1.072 286 T HN 0.836 nan 8.240 nan 0.000 0.609 287 K N 0.656 121.056 120.400 0.001 0.000 2.863 287 K HA 0.836 5.156 4.320 0.000 0.000 0.315 287 K C 0.987 177.588 176.600 0.002 0.000 1.051 287 K CA 0.180 56.469 56.287 0.003 0.000 1.028 287 K CB -0.791 31.712 32.500 0.006 0.000 1.129 287 K HN 0.925 nan 8.250 nan 0.000 0.459 288 A N -1.696 121.126 122.820 0.005 0.000 2.351 288 A HA 0.535 4.855 4.320 0.000 0.000 0.257 288 A C 1.039 178.626 177.584 0.005 0.000 1.087 288 A CA 0.250 52.290 52.037 0.005 0.000 0.798 288 A CB -0.186 18.818 19.000 0.007 0.000 1.033 288 A HN 1.921 nan 8.150 nan 0.000 0.488 289 L N 1.618 122.843 121.223 0.003 0.000 2.919 289 L HA 0.480 4.820 4.340 0.000 0.000 0.242 289 L C 1.121 177.998 176.870 0.012 0.000 1.366 289 L CA 1.337 56.179 54.840 0.003 0.000 1.212 289 L CB -1.422 40.635 42.059 -0.002 0.000 1.604 289 L HN 1.065 nan 8.230 nan 0.000 0.433 290 T N -1.833 112.731 114.554 0.016 0.000 3.123 290 T HA 0.193 4.543 4.350 0.000 0.000 0.266 290 T C 0.607 175.324 174.700 0.029 0.000 0.873 290 T CA 0.587 62.700 62.100 0.023 0.000 0.854 290 T CB 0.161 69.039 68.868 0.018 0.000 1.254 290 T HN 0.868 nan 8.240 nan 0.000 0.570 291 E N 1.640 121.856 120.200 0.026 0.000 2.259 291 E HA 0.604 4.954 4.350 0.000 0.000 0.281 291 E C -0.002 176.625 176.600 0.044 0.000 1.037 291 E CA -0.478 55.940 56.400 0.030 0.000 0.854 291 E CB 0.997 30.710 29.700 0.022 0.000 1.051 291 E HN 0.305 nan 8.360 nan 0.000 0.409 292 V N 2.577 122.524 119.914 0.055 0.000 2.546 292 V HA 0.626 4.746 4.120 0.000 0.000 0.284 292 V C 0.325 176.468 176.094 0.082 0.000 1.050 292 V CA -0.050 62.301 62.300 0.085 0.000 0.981 292 V CB 1.034 32.907 31.823 0.084 0.000 0.990 292 V HN 0.908 nan 8.190 nan 0.000 0.474 293 I N 4.998 125.638 120.570 0.116 0.000 2.382 293 I HA 0.746 4.916 4.170 0.000 0.000 0.286 293 I C -2.072 174.133 176.117 0.147 0.000 1.002 293 I CA -2.526 58.833 61.300 0.098 0.000 1.135 293 I CB 1.536 39.574 38.000 0.064 0.000 1.288 293 I HN 0.688 nan 8.210 nan 0.000 0.448 294 P HA 0.257 nan 4.420 nan 0.000 0.266 294 P C -0.323 177.045 177.300 0.114 0.000 1.419 294 P CA -0.177 62.982 63.100 0.098 0.000 1.112 294 P CB 0.725 32.458 31.700 0.053 0.000 1.438 295 L N 4.063 125.400 121.223 0.191 0.000 2.593 295 L HA -0.036 4.304 4.340 0.000 0.000 0.287 295 L C 1.646 178.578 176.870 0.105 0.000 1.243 295 L CA 1.100 56.046 54.840 0.178 0.000 0.890 295 L CB -0.176 42.076 42.059 0.321 0.000 1.134 295 L HN 0.456 nan 8.230 nan 0.000 0.502 296 T N 0.459 115.056 114.554 0.071 0.000 2.748 296 T HA 0.299 4.650 4.350 0.000 0.000 0.304 296 T C 1.200 175.928 174.700 0.046 0.000 1.041 296 T CA 0.161 62.288 62.100 0.046 0.000 1.033 296 T CB 0.695 69.580 68.868 0.029 0.000 0.995 296 T HN 0.700 nan 8.240 nan 0.000 0.536 297 E N -0.159 120.059 120.200 0.030 0.000 2.285 297 E HA -0.033 4.317 4.350 0.000 0.000 0.194 297 E C 1.862 178.475 176.600 0.022 0.000 0.997 297 E CA 1.109 57.525 56.400 0.026 0.000 0.845 297 E CB -0.748 28.961 29.700 0.015 0.000 0.782 297 E HN 0.906 nan 8.360 nan 0.000 0.491 298 E N -0.492 119.719 120.200 0.017 0.000 2.427 298 E HA 0.137 4.487 4.350 0.000 0.000 0.196 298 E C 2.198 178.806 176.600 0.013 0.000 1.028 298 E CA 0.568 56.974 56.400 0.010 0.000 0.864 298 E CB 0.262 29.963 29.700 0.002 0.000 0.813 298 E HN 0.534 nan 8.360 nan 0.000 0.514 299 A N 1.315 124.150 122.820 0.026 0.000 1.984 299 A HA -0.095 4.225 4.320 0.000 0.000 0.214 299 A C 2.047 179.659 177.584 0.046 0.000 1.173 299 A CA 0.552 52.606 52.037 0.029 0.000 0.673 299 A CB 0.002 19.025 19.000 0.038 0.000 0.830 299 A HN 0.089 nan 8.150 nan 0.000 0.453 300 E N 0.209 120.444 120.200 0.059 0.000 2.112 300 E HA -0.101 4.249 4.350 0.000 0.000 0.190 300 E C 2.156 178.779 176.600 0.038 0.000 0.979 300 E CA 1.133 57.572 56.400 0.066 0.000 0.814 300 E CB -0.294 29.443 29.700 0.062 0.000 0.762 300 E HN 0.453 nan 8.360 nan 0.000 0.460 301 L N 0.855 122.093 121.223 0.025 0.000 2.261 301 L HA -0.093 4.247 4.340 0.000 0.000 0.216 301 L C 2.129 179.004 176.870 0.009 0.000 1.114 301 L CA 2.489 57.337 54.840 0.013 0.000 0.777 301 L CB -1.012 41.051 42.059 0.006 0.000 0.910 301 L HN 0.218 nan 8.230 nan 0.000 0.440 302 E N -1.445 118.762 120.200 0.011 0.000 2.244 302 E HA -0.001 4.349 4.350 0.000 0.000 0.196 302 E C 2.059 178.662 176.600 0.006 0.000 0.939 302 E CA 0.401 56.803 56.400 0.003 0.000 0.884 302 E CB 0.241 29.939 29.700 -0.003 0.000 0.850 302 E HN 0.530 nan 8.360 nan 0.000 0.481 303 L N 0.770 122.005 121.223 0.021 0.000 2.131 303 L HA -0.024 4.316 4.340 0.000 0.000 0.210 303 L C 2.012 178.897 176.870 0.025 0.000 1.092 303 L CA 2.015 56.872 54.840 0.029 0.000 0.759 303 L CB -0.342 41.762 42.059 0.074 0.000 0.903 303 L HN 0.141 nan 8.230 nan 0.000 0.435 304 A N -1.224 121.611 122.820 0.025 0.000 1.903 304 A HA -0.136 4.184 4.320 0.000 0.000 0.213 304 A C 2.251 179.838 177.584 0.006 0.000 1.185 304 A CA 1.010 53.058 52.037 0.017 0.000 0.628 304 A CB -0.561 18.450 19.000 0.018 0.000 0.830 304 A HN 0.502 nan 8.150 nan 0.000 0.446 305 E N 0.097 120.299 120.200 0.004 0.000 2.401 305 E HA -0.149 4.201 4.350 0.000 0.000 0.199 305 E C 1.556 178.153 176.600 -0.006 0.000 1.023 305 E CA 1.102 57.501 56.400 -0.001 0.000 0.859 305 E CB -0.193 29.506 29.700 -0.003 0.000 0.780 305 E HN 0.786 nan 8.360 nan 0.000 0.523 306 N N -0.440 118.253 118.700 -0.012 0.000 2.258 306 N HA 0.009 4.749 4.740 0.000 0.000 0.183 306 N C 1.639 177.124 175.510 -0.041 0.000 1.029 306 N CA 0.027 53.059 53.050 -0.029 0.000 0.857 306 N CB 0.069 38.535 38.487 -0.036 0.000 1.008 306 N HN -0.035 nan 8.380 nan 0.000 0.433 307 R N 1.233 121.717 120.500 -0.028 0.000 2.276 307 R HA -0.201 4.139 4.340 0.000 0.000 0.243 307 R C 1.810 178.098 176.300 -0.020 0.000 1.161 307 R CA 1.185 57.269 56.100 -0.027 0.000 1.007 307 R CB -0.034 30.263 30.300 -0.005 0.000 0.867 307 R HN 0.416 nan 8.270 nan 0.000 0.472 308 E N 0.579 120.773 120.200 -0.009 0.000 2.042 308 E HA -0.088 4.262 4.350 0.000 0.000 0.189 308 E C 1.787 178.397 176.600 0.016 0.000 0.974 308 E CA 0.678 57.081 56.400 0.005 0.000 0.806 308 E CB 0.053 29.759 29.700 0.009 0.000 0.769 308 E HN 0.237 nan 8.360 nan 0.000 0.451 309 I N 1.005 121.584 120.570 0.016 0.000 2.454 309 I HA -0.212 3.958 4.170 0.000 0.000 0.254 309 I C 2.435 178.591 176.117 0.065 0.000 1.156 309 I CA 0.588 61.922 61.300 0.056 0.000 1.433 309 I CB -0.127 37.905 38.000 0.053 0.000 1.082 309 I HN 0.224 nan 8.210 nan 0.000 0.432 310 L N 1.091 122.266 121.223 -0.079 0.000 2.179 310 L HA -0.139 4.201 4.340 0.000 0.000 0.208 310 L C 2.899 179.707 176.870 -0.104 0.000 1.096 310 L CA 1.566 56.236 54.840 -0.283 0.000 0.779 310 L CB -0.532 41.355 42.059 -0.288 0.000 0.922 310 L HN 0.154 nan 8.230 nan 0.000 0.443 311 K N 0.875 121.265 120.400 -0.017 0.000 1.965 311 K HA -0.153 4.167 4.320 0.000 0.000 0.218 311 K C 0.803 177.450 176.600 0.077 0.000 1.048 311 K CA 1.553 57.853 56.287 0.023 0.000 0.960 311 K CB -1.541 30.970 32.500 0.019 0.000 0.732 311 K HN 0.599 nan 8.250 nan 0.000 0.444 312 E N 2.471 122.722 120.200 0.084 0.000 2.292 312 E HA 0.214 4.564 4.350 0.000 0.000 0.265 312 E C -2.179 174.519 176.600 0.164 0.000 1.093 312 E CA -1.872 54.586 56.400 0.097 0.000 0.922 312 E CB 0.000 29.739 29.700 0.064 0.000 1.001 312 E HN 0.412 nan 8.360 nan 0.000 0.444 313 P HA -0.132 nan 4.420 nan 0.000 0.268 313 P C -0.552 176.755 177.300 0.011 0.000 1.189 313 P CA -0.037 63.152 63.100 0.149 0.000 0.771 313 P CB 0.607 32.363 31.700 0.094 0.000 0.822 314 V N 2.631 122.391 119.914 -0.256 0.000 2.789 314 V HA 0.290 4.410 4.120 0.000 0.000 0.311 314 V C 0.391 176.260 176.094 -0.375 0.000 1.073 314 V CA -0.711 61.352 62.300 -0.395 0.000 0.921 314 V CB 1.740 33.100 31.823 -0.772 0.000 1.009 314 V HN 0.746 nan 8.190 nan 0.000 0.426 315 H N 1.598 120.470 119.070 -0.330 0.000 2.517 315 H HA 0.824 5.380 4.556 0.000 0.000 0.346 315 H C -0.113 174.943 175.328 -0.454 0.000 1.222 315 H CA -1.149 54.708 56.048 -0.320 0.000 1.314 315 H CB 1.977 31.626 29.762 -0.190 0.000 1.609 315 H HN 0.790 nan 8.280 nan 0.000 0.571 316 G N 0.440 108.956 108.800 -0.472 0.000 2.723 316 G HA2 0.413 4.373 3.960 0.000 0.000 0.295 316 G HA3 0.413 4.373 3.960 0.000 0.000 0.295 316 G C -0.917 173.854 174.900 -0.215 0.000 1.464 316 G CA -0.471 44.201 45.100 -0.714 0.000 1.012 316 G HN 0.543 nan 8.290 nan 0.000 0.522 317 V N 2.069 122.028 119.914 0.075 0.000 3.133 317 V HA 0.454 4.574 4.120 0.000 0.000 0.305 317 V C -0.188 176.155 176.094 0.415 0.000 1.084 317 V CA -0.295 62.107 62.300 0.169 0.000 1.089 317 V CB 1.099 33.030 31.823 0.180 0.000 1.073 317 V HN 0.585 nan 8.190 nan 0.000 0.477 318 Y N 1.304 121.804 120.300 0.333 0.000 2.565 318 Y HA 0.430 4.980 4.550 0.000 0.000 0.325 318 Y C -0.114 175.971 175.900 0.308 0.000 1.221 318 Y CA -1.316 56.965 58.100 0.300 0.000 1.316 318 Y CB 0.520 39.112 38.460 0.219 0.000 1.404 318 Y HN 0.557 nan 8.280 nan 0.000 0.527 319 Y N 1.384 121.875 120.300 0.318 0.000 2.310 319 Y HA 0.303 4.853 4.550 0.000 0.000 0.326 319 Y C -0.454 175.516 175.900 0.117 0.000 1.151 319 Y CA -1.426 56.786 58.100 0.186 0.000 1.195 319 Y CB 0.891 39.498 38.460 0.245 0.000 1.210 319 Y HN 0.503 nan 8.280 nan 0.000 0.483 320 D N 8.153 128.248 120.400 -0.508 0.000 2.420 320 D HA 0.234 4.875 4.640 0.000 0.000 0.255 320 D C -2.104 173.651 176.300 -0.909 0.000 1.185 320 D CA -1.934 51.760 54.000 -0.511 0.000 0.904 320 D CB 1.972 42.663 40.800 -0.182 0.000 1.102 320 D HN 0.335 nan 8.370 nan 0.000 0.534 321 P HA -0.221 nan 4.420 nan 0.000 0.219 321 P C 1.182 178.331 177.300 -0.251 0.000 1.145 321 P CA 1.091 63.827 63.100 -0.606 0.000 0.813 321 P CB 0.285 31.829 31.700 -0.260 0.000 0.771 322 S N -1.965 113.610 115.700 -0.209 0.000 2.456 322 S HA 0.119 4.589 4.470 0.000 0.000 0.224 322 S C 1.294 175.848 174.600 -0.077 0.000 1.035 322 S CA 0.204 58.344 58.200 -0.100 0.000 0.940 322 S CB -1.012 62.143 63.200 -0.075 0.000 0.799 322 S HN 0.195 nan 8.310 nan 0.000 0.508 323 K N 2.500 122.839 120.400 -0.101 0.000 2.350 323 K HA 0.291 4.612 4.320 0.000 0.000 0.279 323 K C -0.135 176.452 176.600 -0.022 0.000 1.027 323 K CA -0.259 55.998 56.287 -0.050 0.000 0.969 323 K CB -0.558 31.919 32.500 -0.038 0.000 0.954 323 K HN 0.373 nan 8.250 nan 0.000 0.474 324 D N 0.270 120.654 120.400 -0.027 0.000 2.303 324 D HA 0.029 4.669 4.640 0.000 0.000 0.233 324 D C -0.168 176.078 176.300 -0.089 0.000 1.313 324 D CA 0.566 54.535 54.000 -0.052 0.000 0.883 324 D CB 0.421 41.179 40.800 -0.069 0.000 1.220 324 D HN 0.440 nan 8.370 nan 0.000 0.490 325 L N 1.747 122.863 121.223 -0.177 0.000 2.441 325 L HA 0.486 4.826 4.340 0.000 0.000 0.270 325 L C -0.773 175.854 176.870 -0.406 0.000 0.973 325 L CA -0.431 54.212 54.840 -0.329 0.000 0.842 325 L CB 1.595 43.432 42.059 -0.369 0.000 1.239 325 L HN 0.260 nan 8.230 nan 0.000 0.406 326 I N 3.323 123.561 120.570 -0.554 0.000 2.569 326 I HA 0.772 4.942 4.170 0.000 0.000 0.290 326 I C -1.000 174.584 176.117 -0.888 0.000 1.088 326 I CA -0.211 60.677 61.300 -0.687 0.000 1.047 326 I CB 1.864 39.475 38.000 -0.649 0.000 1.237 326 I HN 0.629 nan 8.210 nan 0.000 0.421 327 A N 4.607 126.970 122.820 -0.762 0.000 2.380 327 A HA 0.977 5.297 4.320 0.000 0.000 0.315 327 A C -0.645 176.761 177.584 -0.297 0.000 1.101 327 A CA -0.043 51.672 52.037 -0.537 0.000 0.771 327 A CB 1.620 20.313 19.000 -0.511 0.000 1.287 327 A HN 0.843 nan 8.150 nan 0.000 0.436 328 E N 0.412 120.607 120.200 -0.009 0.000 2.343 328 E HA 0.719 5.069 4.350 0.000 0.000 0.270 328 E C -1.320 175.421 176.600 0.234 0.000 0.895 328 E CA -0.615 55.864 56.400 0.132 0.000 0.767 328 E CB 1.486 31.283 29.700 0.163 0.000 1.248 328 E HN 0.831 nan 8.360 nan 0.000 0.440 329 I N 1.668 122.396 120.570 0.264 0.000 2.447 329 I HA 0.402 4.572 4.170 0.000 0.000 0.287 329 I C -0.622 175.698 176.117 0.338 0.000 1.023 329 I CA -1.244 60.267 61.300 0.353 0.000 1.083 329 I CB 1.957 40.193 38.000 0.392 0.000 1.245 329 I HN 0.374 nan 8.210 nan 0.000 0.434 330 Q N 4.748 124.717 119.800 0.281 0.000 2.274 330 Q HA 0.383 4.723 4.340 0.000 0.000 0.260 330 Q C -0.643 175.383 176.000 0.044 0.000 0.974 330 Q CA -0.810 55.079 55.803 0.144 0.000 0.876 330 Q CB 2.459 31.236 28.738 0.067 0.000 1.297 330 Q HN 0.488 nan 8.270 nan 0.000 0.446 331 K N 1.669 121.947 120.400 -0.203 0.000 2.310 331 K HA 0.053 4.373 4.320 0.000 0.000 0.290 331 K C 0.250 176.638 176.600 -0.354 0.000 1.077 331 K CA 0.089 55.995 56.287 -0.635 0.000 0.922 331 K CB 0.483 32.547 32.500 -0.726 0.000 1.057 331 K HN 0.405 nan 8.250 nan 0.000 0.479 332 Q N 3.401 123.009 119.800 -0.321 0.000 2.201 332 Q HA 0.190 4.530 4.340 0.000 0.000 0.217 332 Q C 0.031 175.928 176.000 -0.172 0.000 0.860 332 Q CA 0.457 56.158 55.803 -0.170 0.000 0.984 332 Q CB 0.382 29.070 28.738 -0.083 0.000 1.095 332 Q HN 0.976 nan 8.270 nan 0.000 0.477 333 G N -0.678 107.974 108.800 -0.247 0.000 2.888 333 G HA2 -0.117 3.843 3.960 0.000 0.000 0.441 333 G HA3 -0.117 3.843 3.960 0.000 0.000 0.441 333 G C 0.136 174.958 174.900 -0.129 0.000 1.461 333 G CA 0.287 45.283 45.100 -0.173 0.000 0.897 333 G HN 1.127 nan 8.290 nan 0.000 0.547 334 Q N -1.709 118.040 119.800 -0.085 0.000 2.461 334 Q HA 0.291 4.631 4.340 0.000 0.000 0.273 334 Q C 2.036 178.014 176.000 -0.037 0.000 1.163 334 Q CA 1.942 57.713 55.803 -0.054 0.000 0.929 334 Q CB -2.130 26.579 28.738 -0.048 0.000 1.334 334 Q HN 3.158 nan 8.270 nan 0.000 0.499 335 G N -3.683 105.102 108.800 -0.026 0.000 2.295 335 G HA2 0.404 4.364 3.960 0.000 0.000 0.287 335 G HA3 0.404 4.364 3.960 0.000 0.000 0.287 335 G C 0.127 175.063 174.900 0.060 0.000 1.055 335 G CA 1.387 46.522 45.100 0.059 0.000 0.922 335 G HN 2.544 nan 8.290 nan 0.000 0.503 336 Q N -1.266 118.517 119.800 -0.028 0.000 2.304 336 Q HA 0.672 5.012 4.340 0.000 0.000 0.270 336 Q C -0.700 175.281 176.000 -0.032 0.000 1.035 336 Q CA -0.708 55.107 55.803 0.020 0.000 0.781 336 Q CB 1.273 29.996 28.738 -0.026 0.000 1.261 336 Q HN 0.831 nan 8.270 nan 0.000 0.444 337 W N 0.468 121.799 121.300 0.050 0.000 2.706 337 W HA 0.797 5.457 4.660 0.000 0.000 0.346 337 W C 0.349 176.959 176.519 0.152 0.000 1.071 337 W CA -0.616 56.810 57.345 0.135 0.000 1.206 337 W CB 2.599 32.199 29.460 0.233 0.000 1.413 337 W HN 0.656 nan 8.180 nan 0.000 0.542 338 T N 2.033 116.819 114.554 0.387 0.000 2.893 338 T HA 0.624 4.974 4.350 0.000 0.000 0.293 338 T C -1.643 173.237 174.700 0.299 0.000 1.027 338 T CA -0.484 61.754 62.100 0.231 0.000 0.988 338 T CB 0.506 69.429 68.868 0.092 0.000 1.043 338 T HN 0.280 nan 8.240 nan 0.000 0.461 339 Y N 1.740 122.153 120.300 0.189 0.000 2.545 339 Y HA 0.875 5.426 4.550 0.000 0.000 0.348 339 Y C -0.997 174.981 175.900 0.130 0.000 1.002 339 Y CA -1.243 56.957 58.100 0.166 0.000 1.039 339 Y CB 1.361 39.930 38.460 0.181 0.000 1.271 339 Y HN 0.432 nan 8.280 nan 0.000 0.467 340 Q N 2.634 122.607 119.800 0.289 0.000 2.397 340 Q HA 0.713 5.053 4.340 0.000 0.000 0.275 340 Q C -1.599 174.547 176.000 0.244 0.000 1.090 340 Q CA -0.629 55.297 55.803 0.205 0.000 0.809 340 Q CB 3.262 32.079 28.738 0.132 0.000 1.362 340 Q HN 0.761 nan 8.270 nan 0.000 0.431 341 I N 1.976 122.668 120.570 0.204 0.000 2.447 341 I HA 0.528 4.698 4.170 0.000 0.000 0.287 341 I C -1.116 175.017 176.117 0.026 0.000 1.023 341 I CA -1.171 60.140 61.300 0.018 0.000 1.083 341 I CB 0.672 38.645 38.000 -0.046 0.000 1.245 341 I HN 0.566 nan 8.210 nan 0.000 0.434 342 Y N 3.292 123.520 120.300 -0.121 0.000 2.570 342 Y HA 0.661 5.211 4.550 0.000 0.000 0.345 342 Y C 0.109 175.941 175.900 -0.114 0.000 1.014 342 Y CA -0.869 57.173 58.100 -0.096 0.000 1.063 342 Y CB 1.202 39.625 38.460 -0.063 0.000 1.272 342 Y HN 0.509 nan 8.280 nan 0.000 0.477 343 Q N 0.721 120.585 119.800 0.106 0.000 2.619 343 Q HA 0.178 4.518 4.340 0.000 0.000 0.195 343 Q C -0.688 175.388 176.000 0.126 0.000 0.910 343 Q CA -0.006 55.823 55.803 0.044 0.000 0.862 343 Q CB 0.409 29.171 28.738 0.041 0.000 1.123 343 Q HN 0.762 nan 8.270 nan 0.000 0.636 344 E N 3.492 123.766 120.200 0.124 0.000 2.105 344 E HA 0.174 4.524 4.350 0.000 0.000 0.285 344 E C -2.379 174.292 176.600 0.119 0.000 1.055 344 E CA -1.889 54.573 56.400 0.104 0.000 0.843 344 E CB 0.568 30.312 29.700 0.075 0.000 1.067 344 E HN 0.120 nan 8.360 nan 0.000 0.398 345 P HA -0.244 nan 4.420 nan 0.000 0.271 345 P C 0.316 177.611 177.300 -0.009 0.000 1.164 345 P CA 0.477 63.539 63.100 -0.064 0.000 0.758 345 P CB 0.421 32.101 31.700 -0.033 0.000 0.769 346 F N -1.268 118.461 119.950 -0.368 0.000 2.575 346 F HA -0.377 4.151 4.527 0.000 0.000 0.673 346 F C 1.561 177.287 175.800 -0.123 0.000 0.487 346 F CA 2.999 60.855 58.000 -0.241 0.000 0.705 346 F CB -2.027 36.882 39.000 -0.152 0.000 1.604 346 F HN 0.551 nan 8.300 nan 0.000 0.262 347 K N 1.880 122.398 120.400 0.197 0.000 2.472 347 K HA 0.296 4.616 4.320 0.000 0.000 0.280 347 K C 0.007 176.669 176.600 0.104 0.000 1.028 347 K CA 0.543 56.916 56.287 0.144 0.000 1.045 347 K CB -0.485 32.094 32.500 0.132 0.000 0.902 347 K HN 0.399 nan 8.250 nan 0.000 0.478 348 N N 1.505 120.224 118.700 0.033 0.000 2.518 348 N HA 0.330 5.070 4.740 0.000 0.000 0.283 348 N C 0.719 176.296 175.510 0.113 0.000 1.119 348 N CA -0.750 52.331 53.050 0.051 0.000 0.983 348 N CB 1.578 40.052 38.487 -0.023 0.000 1.139 348 N HN 0.499 nan 8.380 nan 0.000 0.465 349 L N 1.566 122.919 121.223 0.217 0.000 2.265 349 L HA 0.359 4.699 4.340 0.000 0.000 0.195 349 L C 0.045 177.262 176.870 0.578 0.000 1.083 349 L CA 1.635 56.703 54.840 0.381 0.000 0.798 349 L CB 0.029 42.236 42.059 0.246 0.000 0.989 349 L HN 0.400 nan 8.230 nan 0.000 0.472 350 K N -0.459 120.213 120.400 0.455 0.000 2.542 350 K HA 0.476 4.796 4.320 0.000 0.000 0.259 350 K C -1.359 175.419 176.600 0.295 0.000 0.932 350 K CA -0.156 56.433 56.287 0.502 0.000 0.820 350 K CB 2.169 35.050 32.500 0.636 0.000 1.345 350 K HN 0.217 nan 8.250 nan 0.000 0.432 351 T N -1.239 113.414 114.554 0.165 0.000 2.906 351 T HA 0.907 5.257 4.350 0.000 0.000 0.295 351 T C 0.007 174.570 174.700 -0.228 0.000 1.075 351 T CA -0.872 61.194 62.100 -0.058 0.000 1.005 351 T CB 2.359 71.194 68.868 -0.055 0.000 1.136 351 T HN 0.681 nan 8.240 nan 0.000 0.498 352 G N 0.673 109.076 108.800 -0.662 0.000 2.466 352 G HA2 0.596 4.556 3.960 0.000 0.000 0.291 352 G HA3 0.596 4.556 3.960 0.000 0.000 0.291 352 G C -2.182 172.316 174.900 -0.671 0.000 1.460 352 G CA -1.223 43.520 45.100 -0.593 0.000 0.791 352 G HN 0.936 nan 8.290 nan 0.000 0.505 353 K N -0.899 119.413 120.400 -0.147 0.000 2.371 353 K HA 0.762 5.082 4.320 0.000 0.000 0.251 353 K C -1.595 175.183 176.600 0.296 0.000 0.934 353 K CA -1.071 55.272 56.287 0.093 0.000 0.798 353 K CB 2.518 35.055 32.500 0.061 0.000 1.204 353 K HN 0.612 nan 8.250 nan 0.000 0.427 354 Y N 1.220 121.680 120.300 0.268 0.000 2.409 354 Y HA 0.712 5.262 4.550 0.000 0.000 0.339 354 Y C -1.485 174.553 175.900 0.230 0.000 1.033 354 Y CA -1.097 57.136 58.100 0.220 0.000 1.094 354 Y CB 2.065 40.630 38.460 0.175 0.000 1.210 354 Y HN 0.912 nan 8.280 nan 0.000 0.456 355 A N 4.335 126.688 122.820 -0.778 0.000 2.509 355 A HA 0.698 5.019 4.320 0.000 0.000 0.282 355 A C -0.746 176.482 177.584 -0.594 0.000 1.054 355 A CA -0.378 51.330 52.037 -0.547 0.000 0.820 355 A CB 0.120 19.023 19.000 -0.163 0.000 1.333 355 A HN 1.200 nan 8.150 nan 0.000 0.409 356 R N 2.805 122.980 120.500 -0.542 0.000 2.522 356 R HA 0.646 4.986 4.340 0.000 0.000 0.284 356 R C -0.111 176.142 176.300 -0.078 0.000 1.032 356 R CA 0.503 56.486 56.100 -0.195 0.000 1.049 356 R CB -0.131 30.162 30.300 -0.011 0.000 0.956 356 R HN 0.770 nan 8.270 nan 0.000 0.422 357 M N 1.070 120.654 119.600 -0.025 0.000 2.575 357 M HA 0.497 4.977 4.480 0.000 0.000 0.284 357 M C -0.403 175.910 176.300 0.022 0.000 1.253 357 M CA -1.151 54.145 55.300 -0.006 0.000 0.861 357 M CB 2.128 34.719 32.600 -0.015 0.000 1.733 357 M HN 0.831 nan 8.290 nan 0.000 0.462 358 R N 0.571 121.082 120.500 0.019 0.000 3.152 358 R HA -0.017 4.323 4.340 0.000 0.000 0.252 358 R C -0.108 176.223 176.300 0.051 0.000 0.930 358 R CA 1.144 57.263 56.100 0.032 0.000 0.642 358 R CB -2.080 28.240 30.300 0.033 0.000 1.205 358 R HN 1.103 nan 8.270 nan 0.000 0.452 359 G N -1.301 107.530 108.800 0.052 0.000 2.496 359 G HA2 0.448 4.408 3.960 0.000 0.000 0.220 359 G HA3 0.448 4.408 3.960 0.000 0.000 0.220 359 G C 0.066 175.011 174.900 0.076 0.000 3.253 359 G CA -0.168 44.983 45.100 0.085 0.000 0.843 359 G HN 0.594 nan 8.290 nan 0.000 0.512 360 A N 1.223 124.056 122.820 0.022 0.000 2.398 360 A HA 0.703 5.023 4.320 0.000 0.000 0.264 360 A C 1.349 178.930 177.584 -0.005 0.000 1.564 360 A CA 1.125 53.102 52.037 -0.100 0.000 0.828 360 A CB -0.194 18.585 19.000 -0.368 0.000 1.444 360 A HN 1.934 nan 8.150 nan 0.000 0.565 361 H N -2.367 116.742 119.070 0.065 0.000 3.141 361 H HA -0.148 4.409 4.556 0.000 0.000 0.260 361 H C 0.140 175.522 175.328 0.090 0.000 1.132 361 H CA 0.743 56.830 56.048 0.066 0.000 1.171 361 H CB -2.556 27.235 29.762 0.049 0.000 1.274 361 H HN 0.609 nan 8.280 nan 0.000 0.329 362 T N 0.574 115.223 114.554 0.158 0.000 2.918 362 T HA 0.081 4.431 4.350 0.000 0.000 0.302 362 T C 0.905 175.678 174.700 0.121 0.000 1.045 362 T CA -0.680 61.511 62.100 0.151 0.000 1.114 362 T CB 1.178 70.127 68.868 0.134 0.000 0.965 362 T HN 0.307 nan 8.240 nan 0.000 0.540 363 N N 0.921 119.674 118.700 0.089 0.000 2.503 363 N HA 0.045 4.785 4.740 0.000 0.000 0.267 363 N C 0.578 176.096 175.510 0.013 0.000 1.214 363 N CA -0.164 52.879 53.050 -0.012 0.000 0.959 363 N CB 1.364 39.746 38.487 -0.174 0.000 1.142 363 N HN 0.565 nan 8.380 nan 0.000 0.455 364 D N 1.162 121.577 120.400 0.024 0.000 2.137 364 D HA -0.045 4.595 4.640 0.000 0.000 0.202 364 D C 1.791 178.137 176.300 0.075 0.000 0.970 364 D CA 0.830 54.939 54.000 0.183 0.000 0.837 364 D CB 0.278 41.227 40.800 0.249 0.000 0.981 364 D HN 0.313 nan 8.370 nan 0.000 0.475 365 V N 0.707 120.516 119.914 -0.174 0.000 2.287 365 V HA -0.260 3.861 4.120 0.000 0.000 0.248 365 V C 2.658 178.630 176.094 -0.204 0.000 1.053 365 V CA 2.464 64.620 62.300 -0.240 0.000 1.027 365 V CB -0.971 30.505 31.823 -0.578 0.000 0.646 365 V HN 0.348 nan 8.190 nan 0.000 0.447 366 K N -0.478 119.802 120.400 -0.201 0.000 2.097 366 K HA -0.203 4.117 4.320 0.000 0.000 0.205 366 K C 2.018 178.539 176.600 -0.131 0.000 1.050 366 K CA 1.831 58.037 56.287 -0.136 0.000 0.938 366 K CB -0.757 31.701 32.500 -0.070 0.000 0.718 366 K HN 0.593 nan 8.250 nan 0.000 0.442 367 Q N -0.784 118.978 119.800 -0.064 0.000 2.291 367 Q HA 0.040 4.380 4.340 0.000 0.000 0.205 367 Q C 2.125 177.841 176.000 -0.473 0.000 0.970 367 Q CA 1.017 56.793 55.803 -0.044 0.000 0.876 367 Q CB -0.166 28.700 28.738 0.213 0.000 0.935 367 Q HN 0.608 nan 8.270 nan 0.000 0.455 368 L N -0.430 120.435 121.223 -0.596 0.000 2.007 368 L HA -0.127 4.213 4.340 0.000 0.000 0.205 368 L C 2.051 178.584 176.870 -0.562 0.000 1.073 368 L CA 1.746 56.025 54.840 -0.936 0.000 0.744 368 L CB -0.515 41.272 42.059 -0.453 0.000 0.898 368 L HN 0.052 nan 8.230 nan 0.000 0.435 369 T N -0.365 113.999 114.554 -0.317 0.000 2.977 369 T HA -0.152 4.198 4.350 0.000 0.000 0.271 369 T C 1.573 176.063 174.700 -0.349 0.000 1.105 369 T CA 1.518 63.463 62.100 -0.258 0.000 1.116 369 T CB -0.309 68.472 68.868 -0.144 0.000 0.878 369 T HN 0.490 nan 8.240 nan 0.000 0.509 370 E N 1.003 120.971 120.200 -0.386 0.000 2.112 370 E HA 0.064 4.414 4.350 0.000 0.000 0.190 370 E C 2.600 178.747 176.600 -0.756 0.000 0.979 370 E CA 0.766 56.894 56.400 -0.453 0.000 0.814 370 E CB -0.150 29.360 29.700 -0.316 0.000 0.762 370 E HN 0.490 nan 8.360 nan 0.000 0.460 371 A N 1.178 123.484 122.820 -0.855 0.000 1.898 371 A HA -0.127 4.193 4.320 0.000 0.000 0.216 371 A C 2.514 179.784 177.584 -0.523 0.000 1.181 371 A CA 1.009 52.566 52.037 -0.800 0.000 0.620 371 A CB -0.678 18.068 19.000 -0.424 0.000 0.819 371 A HN 0.097 nan 8.150 nan 0.000 0.442 372 V N 0.084 119.686 119.914 -0.520 0.000 2.282 372 V HA -0.330 3.790 4.120 0.000 0.000 0.249 372 V C 2.761 178.539 176.094 -0.526 0.000 1.057 372 V CA 2.472 64.397 62.300 -0.626 0.000 1.032 372 V CB -0.879 30.457 31.823 -0.811 0.000 0.645 372 V HN 0.687 nan 8.190 nan 0.000 0.447 373 Q N 0.931 120.468 119.800 -0.439 0.000 2.020 373 Q HA -0.240 4.100 4.340 0.000 0.000 0.202 373 Q C 2.185 178.034 176.000 -0.252 0.000 0.982 373 Q CA 2.262 57.880 55.803 -0.310 0.000 0.838 373 Q CB -0.561 28.020 28.738 -0.261 0.000 0.899 373 Q HN 0.571 nan 8.270 nan 0.000 0.423 374 K N -0.449 119.767 120.400 -0.307 0.000 2.189 374 K HA -0.172 4.148 4.320 0.000 0.000 0.207 374 K C 1.820 178.315 176.600 -0.175 0.000 1.046 374 K CA 1.751 57.905 56.287 -0.222 0.000 0.928 374 K CB -0.295 32.059 32.500 -0.245 0.000 0.720 374 K HN 0.368 nan 8.250 nan 0.000 0.458 375 I N -0.590 119.837 120.570 -0.237 0.000 2.296 375 I HA -0.195 3.975 4.170 0.000 0.000 0.242 375 I C 1.861 177.972 176.117 -0.011 0.000 1.087 375 I CA 1.245 62.425 61.300 -0.199 0.000 1.393 375 I CB -0.361 37.513 38.000 -0.210 0.000 1.093 375 I HN 0.138 nan 8.210 nan 0.000 0.421 376 T N -0.071 114.492 114.554 0.017 0.000 2.822 376 T HA -0.171 4.179 4.350 0.000 0.000 0.270 376 T C 1.818 176.523 174.700 0.008 0.000 1.064 376 T CA 1.868 64.001 62.100 0.055 0.000 1.131 376 T CB -0.386 68.457 68.868 -0.042 0.000 0.858 376 T HN 0.347 nan 8.240 nan 0.000 0.483 377 T N 1.205 115.736 114.554 -0.040 0.000 2.809 377 T HA -0.010 4.340 4.350 0.000 0.000 0.260 377 T C 1.908 176.579 174.700 -0.049 0.000 1.039 377 T CA 0.850 62.925 62.100 -0.042 0.000 1.141 377 T CB -0.153 68.680 68.868 -0.058 0.000 0.869 377 T HN 0.486 nan 8.240 nan 0.000 0.437 378 E N 0.729 120.892 120.200 -0.062 0.000 2.204 378 E HA -0.115 4.236 4.350 0.000 0.000 0.195 378 E C 2.093 178.603 176.600 -0.150 0.000 0.990 378 E CA 0.843 57.179 56.400 -0.106 0.000 0.821 378 E CB 0.050 29.706 29.700 -0.074 0.000 0.750 378 E HN 0.328 nan 8.360 nan 0.000 0.477 379 S N 0.642 116.342 115.700 0.001 0.000 2.335 379 S HA -0.096 4.374 4.470 0.000 0.000 0.216 379 S C 1.964 176.580 174.600 0.028 0.000 1.032 379 S CA 0.905 59.196 58.200 0.152 0.000 1.000 379 S CB -0.211 63.130 63.200 0.236 0.000 0.928 379 S HN 0.289 nan 8.310 nan 0.000 0.434 380 I N 1.680 122.263 120.570 0.021 0.000 2.335 380 I HA -0.156 4.014 4.170 0.000 0.000 0.251 380 I C 1.950 178.034 176.117 -0.055 0.000 1.129 380 I CA 0.878 62.179 61.300 0.003 0.000 1.402 380 I CB -0.339 37.667 38.000 0.010 0.000 1.069 380 I HN 0.144 nan 8.210 nan 0.000 0.424 381 V N 0.521 120.373 119.914 -0.103 0.000 2.667 381 V HA -0.199 3.921 4.120 0.000 0.000 0.252 381 V C 1.943 177.909 176.094 -0.213 0.000 1.065 381 V CA 1.522 63.743 62.300 -0.132 0.000 1.083 381 V CB -0.212 31.528 31.823 -0.140 0.000 0.692 381 V HN 0.340 nan 8.190 nan 0.000 0.468 382 I N -2.237 118.118 120.570 -0.358 0.000 3.341 382 I HA 0.034 4.204 4.170 0.000 0.000 0.243 382 I C 2.246 178.051 176.117 -0.520 0.000 1.094 382 I CA 0.600 61.549 61.300 -0.586 0.000 1.507 382 I CB -0.186 37.128 38.000 -1.145 0.000 1.441 382 I HN 0.263 nan 8.210 nan 0.000 0.465 383 W N 1.066 122.251 121.300 -0.192 0.000 2.453 383 W HA 0.161 4.821 4.660 0.000 0.000 0.289 383 W C 1.627 178.071 176.519 -0.125 0.000 1.215 383 W CA 1.371 58.536 57.345 -0.299 0.000 1.297 383 W CB -0.762 28.355 29.460 -0.572 0.000 1.113 383 W HN 0.465 nan 8.180 nan 0.000 0.551 384 G N 0.386 109.242 108.800 0.094 0.000 2.163 384 G HA2 -0.235 3.725 3.960 0.000 0.000 0.213 384 G HA3 -0.235 3.725 3.960 0.000 0.000 0.213 384 G C 0.183 175.143 174.900 0.100 0.000 0.991 384 G CA 0.318 45.467 45.100 0.081 0.000 0.653 384 G HN 0.282 nan 8.290 nan 0.000 0.518 385 K N -0.731 119.743 120.400 0.124 0.000 2.213 385 K HA 0.783 5.103 4.320 0.000 0.000 0.254 385 K C -0.355 176.298 176.600 0.088 0.000 1.062 385 K CA -0.286 56.057 56.287 0.094 0.000 0.884 385 K CB 1.430 33.982 32.500 0.086 0.000 1.437 385 K HN 0.354 nan 8.250 nan 0.000 0.464 386 T N -0.471 114.115 114.554 0.053 0.000 2.824 386 T HA 0.500 4.850 4.350 0.000 0.000 0.282 386 T C -2.766 171.909 174.700 -0.042 0.000 0.993 386 T CA -2.169 59.961 62.100 0.050 0.000 0.967 386 T CB 1.294 70.211 68.868 0.082 0.000 0.960 386 T HN 0.105 nan 8.240 nan 0.000 0.441 387 P HA 0.222 nan 4.420 nan 0.000 0.268 387 P C -0.558 176.469 177.300 -0.454 0.000 1.205 387 P CA -0.493 62.342 63.100 -0.442 0.000 0.771 387 P CB 0.446 31.680 31.700 -0.777 0.000 0.858 388 K N 3.602 123.773 120.400 -0.383 0.000 2.312 388 K HA 0.228 4.549 4.320 0.000 0.000 0.287 388 K C -0.742 175.641 176.600 -0.362 0.000 1.062 388 K CA -0.326 55.824 56.287 -0.229 0.000 0.934 388 K CB -0.084 32.315 32.500 -0.167 0.000 1.027 388 K HN 0.193 nan 8.250 nan 0.000 0.478 389 F N 3.207 123.096 119.950 -0.101 0.000 2.429 389 F HA 0.215 4.742 4.527 0.000 0.000 0.348 389 F C 0.781 176.553 175.800 -0.046 0.000 1.109 389 F CA -0.019 57.933 58.000 -0.080 0.000 1.232 389 F CB 0.860 39.815 39.000 -0.074 0.000 1.157 389 F HN 0.216 nan 8.300 nan 0.000 0.564 390 K N 4.932 125.377 120.400 0.075 0.000 2.507 390 K HA 0.498 4.818 4.320 0.000 0.000 0.253 390 K C -1.195 175.494 176.600 0.148 0.000 0.969 390 K CA -0.247 56.077 56.287 0.060 0.000 0.908 390 K CB 1.214 33.720 32.500 0.010 0.000 1.127 390 K HN 0.570 nan 8.250 nan 0.000 0.437 391 L N 4.583 125.914 121.223 0.180 0.000 2.385 391 L HA 0.440 4.780 4.340 0.000 0.000 0.273 391 L C -1.896 175.112 176.870 0.230 0.000 0.990 391 L CA -2.000 52.982 54.840 0.236 0.000 0.821 391 L CB 2.565 44.814 42.059 0.317 0.000 1.279 391 L HN 0.239 nan 8.230 nan 0.000 0.412 392 P HA 0.118 nan 4.420 nan 0.000 0.238 392 P C -0.576 176.909 177.300 0.309 0.000 1.714 392 P CA 0.495 63.715 63.100 0.201 0.000 0.908 392 P CB -0.030 31.774 31.700 0.173 0.000 1.893 393 I N -1.051 119.768 120.570 0.416 0.000 2.610 393 I HA 0.214 4.384 4.170 0.000 0.000 0.289 393 I C -0.713 175.612 176.117 0.346 0.000 1.163 393 I CA -0.916 60.613 61.300 0.383 0.000 1.044 393 I CB 2.385 40.615 38.000 0.384 0.000 1.251 393 I HN -0.179 nan 8.210 nan 0.000 0.424 394 Q N 6.522 126.409 119.800 0.145 0.000 2.311 394 Q HA 0.038 4.378 4.340 0.000 0.000 0.272 394 Q C 0.647 176.695 176.000 0.078 0.000 1.012 394 Q CA 0.046 55.788 55.803 -0.102 0.000 0.891 394 Q CB 1.495 30.144 28.738 -0.149 0.000 1.201 394 Q HN 0.640 nan 8.270 nan 0.000 0.391 395 K N 2.944 123.322 120.400 -0.037 0.000 2.074 395 K HA -0.228 4.092 4.320 0.000 0.000 0.209 395 K C 1.046 177.782 176.600 0.226 0.000 1.048 395 K CA 1.573 57.949 56.287 0.149 0.000 0.926 395 K CB 0.199 32.657 32.500 -0.070 0.000 0.713 395 K HN 0.583 nan 8.250 nan 0.000 0.444 396 E N -0.680 119.575 120.200 0.091 0.000 2.515 396 E HA -0.090 4.260 4.350 0.000 0.000 0.201 396 E C 1.011 177.683 176.600 0.120 0.000 1.071 396 E CA 1.258 57.722 56.400 0.105 0.000 0.880 396 E CB 0.238 29.960 29.700 0.037 0.000 0.828 396 E HN 0.497 nan 8.360 nan 0.000 0.540 397 T N -2.984 111.654 114.554 0.140 0.000 2.985 397 T HA -0.009 4.341 4.350 0.000 0.000 0.254 397 T C 1.257 176.062 174.700 0.176 0.000 1.021 397 T CA -0.611 61.546 62.100 0.095 0.000 0.957 397 T CB -0.054 68.812 68.868 -0.004 0.000 1.047 397 T HN 0.286 nan 8.240 nan 0.000 0.511 398 W N 2.624 123.991 121.300 0.110 0.000 2.601 398 W HA 0.226 4.886 4.660 0.000 0.000 0.292 398 W C 0.968 177.599 176.519 0.187 0.000 1.153 398 W CA 0.603 58.009 57.345 0.101 0.000 1.448 398 W CB 0.073 29.576 29.460 0.071 0.000 1.113 398 W HN 0.283 nan 8.180 nan 0.000 0.548 399 E N 0.273 120.783 120.200 0.517 0.000 2.515 399 E HA -0.108 4.243 4.350 0.000 0.000 0.201 399 E C 1.310 178.132 176.600 0.371 0.000 1.071 399 E CA 1.304 58.068 56.400 0.608 0.000 0.880 399 E CB -0.059 30.059 29.700 0.696 0.000 0.828 399 E HN 0.217 nan 8.360 nan 0.000 0.540 400 T N -2.818 111.882 114.554 0.244 0.000 3.134 400 T HA 0.057 4.407 4.350 0.000 0.000 0.260 400 T C 0.350 175.223 174.700 0.288 0.000 1.027 400 T CA -0.552 61.670 62.100 0.203 0.000 0.913 400 T CB -0.138 68.828 68.868 0.163 0.000 1.046 400 T HN 0.253 nan 8.240 nan 0.000 0.553 401 W N 0.294 121.505 121.300 -0.149 0.000 0.923 401 W HA 0.392 5.052 4.660 0.000 0.000 0.297 401 W C -1.103 175.216 176.519 -0.334 0.000 0.847 401 W CA -1.045 56.133 57.345 -0.279 0.000 1.867 401 W CB 0.834 30.040 29.460 -0.425 0.000 1.493 401 W HN 0.364 nan 8.180 nan 0.000 0.494 402 W N -0.291 120.783 121.300 -0.377 0.000 5.233 402 W HA 0.163 4.823 4.660 0.000 0.000 0.164 402 W C 1.365 177.784 176.519 -0.167 0.000 1.120 402 W CA 1.324 58.492 57.345 -0.296 0.000 1.836 402 W CB -0.258 29.083 29.460 -0.198 0.000 0.544 402 W HN -0.322 nan 8.180 nan 0.000 1.083 403 T N 0.625 115.142 114.554 -0.061 0.000 3.129 403 T HA 0.050 4.400 4.350 0.000 0.000 0.251 403 T C 1.103 175.719 174.700 -0.139 0.000 1.117 403 T CA 1.312 63.293 62.100 -0.198 0.000 1.034 403 T CB 0.418 69.210 68.868 -0.125 0.000 0.968 403 T HN 0.255 nan 8.240 nan 0.000 0.526 404 E N -0.610 119.502 120.200 -0.147 0.000 2.453 404 E HA 0.146 4.496 4.350 0.000 0.000 0.211 404 E C -0.290 176.111 176.600 -0.332 0.000 0.897 404 E CA -0.334 55.964 56.400 -0.171 0.000 1.063 404 E CB 0.479 30.158 29.700 -0.035 0.000 1.080 404 E HN 0.337 nan 8.360 nan 0.000 0.512 405 Y N 1.332 121.197 120.300 -0.725 0.000 2.336 405 Y HA -0.016 4.534 4.550 0.000 0.000 0.331 405 Y C 0.968 176.629 175.900 -0.399 0.000 1.211 405 Y CA -1.002 56.591 58.100 -0.845 0.000 1.346 405 Y CB 0.351 38.127 38.460 -1.141 0.000 1.271 405 Y HN 0.090 nan 8.280 nan 0.000 0.538 406 W N 3.485 124.358 121.300 -0.711 0.000 2.418 406 W HA -0.029 4.631 4.660 0.000 0.000 0.319 406 W C 0.305 176.409 176.519 -0.692 0.000 1.183 406 W CA 0.647 57.639 57.345 -0.589 0.000 1.327 406 W CB -1.125 28.061 29.460 -0.456 0.000 1.163 406 W HN 0.595 nan 8.180 nan 0.000 0.479 407 Q N 2.224 121.000 119.800 -1.707 0.000 2.432 407 Q HA 0.348 4.688 4.340 0.000 0.000 0.264 407 Q C -0.286 175.225 176.000 -0.814 0.000 1.035 407 Q CA 0.232 55.215 55.803 -1.365 0.000 0.908 407 Q CB 0.924 28.412 28.738 -2.083 0.000 1.280 407 Q HN 0.180 nan 8.270 nan 0.000 0.455 408 A N 2.857 125.448 122.820 -0.382 0.000 2.301 408 A HA 0.553 4.873 4.320 0.000 0.000 0.298 408 A C -0.367 177.204 177.584 -0.023 0.000 1.185 408 A CA -0.120 51.833 52.037 -0.139 0.000 0.830 408 A CB 0.741 19.692 19.000 -0.081 0.000 1.112 408 A HN 0.824 nan 8.150 nan 0.000 0.508 409 T N -0.983 113.648 114.554 0.127 0.000 2.926 409 T HA 0.748 5.098 4.350 0.000 0.000 0.289 409 T C -0.762 174.154 174.700 0.360 0.000 1.054 409 T CA -0.686 61.500 62.100 0.143 0.000 1.015 409 T CB 1.592 70.456 68.868 -0.007 0.000 1.167 409 T HN 0.919 nan 8.240 nan 0.000 0.526 410 W N 0.640 121.921 121.300 -0.030 0.000 3.473 410 W HA 0.523 5.183 4.660 0.000 0.000 0.324 410 W C -1.995 174.435 176.519 -0.150 0.000 1.099 410 W CA -0.983 56.330 57.345 -0.055 0.000 1.277 410 W CB 0.909 30.355 29.460 -0.024 0.000 1.216 410 W HN 0.974 nan 8.180 nan 0.000 0.423 411 I N 6.738 126.650 120.570 -1.096 0.000 2.389 411 I HA 0.561 4.732 4.170 0.000 0.000 0.288 411 I C -1.324 174.058 176.117 -1.225 0.000 0.999 411 I CA -2.097 58.557 61.300 -1.077 0.000 1.129 411 I CB 1.276 38.561 38.000 -1.192 0.000 1.288 411 I HN 0.264 nan 8.210 nan 0.000 0.444 412 P HA 0.023 nan 4.420 nan 0.000 0.327 412 P C -0.126 177.077 177.300 -0.161 0.000 1.414 412 P CA -0.004 62.883 63.100 -0.354 0.000 0.823 412 P CB 0.298 31.943 31.700 -0.092 0.000 1.899 413 E N 0.178 120.393 120.200 0.025 0.000 2.328 413 E HA 0.086 4.437 4.350 0.000 0.000 0.265 413 E C -0.521 176.199 176.600 0.200 0.000 1.057 413 E CA 0.255 56.709 56.400 0.090 0.000 0.916 413 E CB -0.042 29.682 29.700 0.039 0.000 0.993 413 E HN 0.343 nan 8.360 nan 0.000 0.446 414 W N 2.795 123.988 121.300 -0.178 0.000 3.138 414 W HA 0.610 5.270 4.660 0.000 0.000 0.331 414 W C -1.104 175.331 176.519 -0.140 0.000 1.166 414 W CA -1.277 55.977 57.345 -0.151 0.000 1.212 414 W CB 0.437 29.709 29.460 -0.313 0.000 1.399 414 W HN 0.395 nan 8.180 nan 0.000 0.514 415 E N 2.208 122.313 120.200 -0.158 0.000 2.317 415 E HA 0.435 4.785 4.350 0.000 0.000 0.270 415 E C -1.512 175.020 176.600 -0.112 0.000 0.885 415 E CA -1.060 55.185 56.400 -0.258 0.000 0.760 415 E CB 2.504 32.111 29.700 -0.156 0.000 1.227 415 E HN 0.263 nan 8.360 nan 0.000 0.434 416 F N 4.011 123.782 119.950 -0.300 0.000 2.578 416 F HA 0.161 4.689 4.527 0.000 0.000 0.381 416 F C -0.641 175.110 175.800 -0.081 0.000 1.069 416 F CA 0.039 57.932 58.000 -0.178 0.000 1.231 416 F CB 0.289 39.170 39.000 -0.199 0.000 1.086 416 F HN 0.144 nan 8.300 nan 0.000 0.564 417 V N 4.850 124.379 119.914 -0.642 0.000 3.369 417 V HA 0.464 4.584 4.120 0.000 0.000 0.301 417 V C -0.356 175.136 176.094 -1.003 0.000 1.184 417 V CA -1.164 60.778 62.300 -0.597 0.000 1.013 417 V CB 1.816 33.496 31.823 -0.239 0.000 1.230 417 V HN 0.746 nan 8.190 nan 0.000 0.464 418 N N 0.305 118.699 118.700 -0.511 0.000 2.500 418 N HA 0.567 5.307 4.740 0.000 0.000 0.291 418 N C -1.574 173.835 175.510 -0.169 0.000 1.092 418 N CA -0.063 52.768 53.050 -0.366 0.000 0.890 418 N CB 2.136 40.458 38.487 -0.274 0.000 1.466 418 N HN 0.846 nan 8.380 nan 0.000 0.507 419 T N 2.844 117.340 114.554 -0.096 0.000 3.097 419 T HA 0.292 4.642 4.350 0.000 0.000 0.332 419 T C -1.755 172.942 174.700 -0.006 0.000 1.269 419 T CA -0.640 61.434 62.100 -0.044 0.000 1.076 419 T CB 2.406 71.254 68.868 -0.033 0.000 1.209 419 T HN 0.239 nan 8.240 nan 0.000 0.474 420 P HA -0.093 nan 4.420 nan 0.000 0.220 420 P C -1.586 175.740 177.300 0.044 0.000 1.155 420 P CA 1.436 64.551 63.100 0.025 0.000 0.880 420 P CB -1.491 30.220 31.700 0.018 0.000 0.790 421 P HA 0.207 nan 4.420 nan 0.000 0.247 421 P C -0.153 177.178 177.300 0.052 0.000 1.756 421 P CA -0.383 62.746 63.100 0.048 0.000 1.117 421 P CB -0.157 31.543 31.700 -0.000 0.000 1.869 422 L N 4.148 125.411 121.223 0.067 0.000 2.417 422 L HA 0.159 4.499 4.340 0.000 0.000 0.268 422 L C -0.189 176.682 176.870 0.003 0.000 1.158 422 L CA -0.110 54.767 54.840 0.062 0.000 0.819 422 L CB 1.065 43.164 42.059 0.067 0.000 1.112 422 L HN 0.051 nan 8.230 nan 0.000 0.458 423 V N 4.530 124.472 119.914 0.047 0.000 2.364 423 V HA 0.830 4.950 4.120 0.000 0.000 0.272 423 V C 0.363 176.383 176.094 -0.123 0.000 1.036 423 V CA 0.112 62.416 62.300 0.006 0.000 0.880 423 V CB 0.022 31.974 31.823 0.214 0.000 0.991 423 V HN 0.984 nan 8.190 nan 0.000 0.460 424 K N 3.579 123.734 120.400 -0.408 0.000 2.672 424 K HA 0.767 5.087 4.320 0.000 0.000 0.295 424 K C -1.144 175.006 176.600 -0.750 0.000 1.042 424 K CA -0.850 55.169 56.287 -0.448 0.000 0.869 424 K CB 0.757 33.066 32.500 -0.318 0.000 1.541 424 K HN 0.498 nan 8.250 nan 0.000 0.396 425 L N 1.713 122.631 121.223 -0.508 0.000 2.418 425 L HA 0.272 4.613 4.340 0.000 0.000 0.274 425 L C 0.744 177.406 176.870 -0.348 0.000 1.135 425 L CA -0.212 54.347 54.840 -0.469 0.000 0.870 425 L CB 0.455 42.336 42.059 -0.296 0.000 1.154 425 L HN 0.897 nan 8.230 nan 0.000 0.462 426 W N 2.629 123.917 121.300 -0.019 0.000 2.576 426 W HA 0.033 4.693 4.660 0.000 0.000 0.270 426 W C 0.417 177.064 176.519 0.215 0.000 1.255 426 W CA -0.231 57.182 57.345 0.114 0.000 1.314 426 W CB -0.132 29.441 29.460 0.188 0.000 1.101 426 W HN 0.517 nan 8.180 nan 0.000 0.595 427 Y N -2.101 118.297 120.300 0.164 0.000 2.840 427 Y HA 0.697 5.247 4.550 0.000 0.000 0.324 427 Y C -1.024 174.909 175.900 0.055 0.000 1.378 427 Y CA -2.757 55.402 58.100 0.099 0.000 1.077 427 Y CB 0.746 39.267 38.460 0.101 0.000 1.361 427 Y HN -0.113 nan 8.280 nan 0.000 0.459 428 Q N 1.208 121.094 119.800 0.142 0.000 2.518 428 Q HA 0.472 4.812 4.340 0.000 0.000 0.254 428 Q C -2.050 174.026 176.000 0.126 0.000 0.962 428 Q CA -0.571 55.249 55.803 0.028 0.000 0.982 428 Q CB 1.879 30.626 28.738 0.015 0.000 1.516 428 Q HN 0.843 nan 8.270 nan 0.000 0.426 429 L N 1.733 123.019 121.223 0.106 0.000 2.475 429 L HA 0.433 4.774 4.340 0.000 0.000 0.253 429 L C 0.570 177.483 176.870 0.071 0.000 1.198 429 L CA -0.857 54.038 54.840 0.092 0.000 0.814 429 L CB 0.259 42.343 42.059 0.042 0.000 1.134 429 L HN 0.613 nan 8.230 nan 0.000 0.478 430 E N 0.604 120.853 120.200 0.083 0.000 2.342 430 E HA 0.143 4.493 4.350 0.000 0.000 0.257 430 E C 0.152 176.815 176.600 0.104 0.000 1.150 430 E CA -0.320 56.166 56.400 0.144 0.000 0.926 430 E CB 0.934 30.811 29.700 0.294 0.000 1.074 430 E HN 0.506 nan 8.360 nan 0.000 0.449 431 K N -0.208 120.294 120.400 0.169 0.000 2.344 431 K HA 0.251 4.571 4.320 0.000 0.000 0.200 431 K C 0.214 176.990 176.600 0.293 0.000 1.132 431 K CA 0.086 56.462 56.287 0.148 0.000 0.935 431 K CB 0.611 33.165 32.500 0.089 0.000 1.089 431 K HN 0.253 nan 8.250 nan 0.000 0.496 432 E N 3.431 123.791 120.200 0.268 0.000 2.204 432 E HA 0.269 4.619 4.350 0.000 0.000 0.276 432 E C -2.518 174.123 176.600 0.068 0.000 0.974 432 E CA -2.757 53.755 56.400 0.186 0.000 0.815 432 E CB 1.411 31.159 29.700 0.081 0.000 1.119 432 E HN 0.058 nan 8.360 nan 0.000 0.393 433 P HA 0.002 nan 4.420 nan 0.000 0.266 433 P C -0.257 176.838 177.300 -0.343 0.000 1.195 433 P CA 0.346 62.931 63.100 -0.859 0.000 0.768 433 P CB 0.654 31.960 31.700 -0.656 0.000 0.838 434 I N 2.214 122.613 120.570 -0.286 0.000 2.638 434 I HA 0.085 4.256 4.170 0.000 0.000 0.286 434 I C 1.021 177.095 176.117 -0.071 0.000 1.088 434 I CA -0.855 60.389 61.300 -0.094 0.000 1.397 434 I CB 0.780 38.768 38.000 -0.020 0.000 1.414 434 I HN 0.165 nan 8.210 nan 0.000 0.566 435 V N 2.412 122.309 119.914 -0.029 0.000 2.607 435 V HA 0.677 4.797 4.120 0.000 0.000 0.289 435 V C 1.075 177.172 176.094 0.005 0.000 1.053 435 V CA 0.165 62.457 62.300 -0.013 0.000 0.996 435 V CB 0.487 32.307 31.823 -0.004 0.000 0.995 435 V HN 1.124 nan 8.190 nan 0.000 0.476 436 G N 2.617 111.424 108.800 0.012 0.000 2.674 436 G HA2 -0.223 3.737 3.960 0.000 0.000 0.236 436 G HA3 -0.223 3.737 3.960 0.000 0.000 0.236 436 G C 0.827 175.753 174.900 0.043 0.000 1.178 436 G CA 0.480 45.596 45.100 0.026 0.000 0.721 436 G HN 2.258 nan 8.290 nan 0.000 0.515 437 A N 0.850 123.696 122.820 0.044 0.000 2.587 437 A HA 0.419 4.739 4.320 0.000 0.000 0.233 437 A C 0.560 178.212 177.584 0.112 0.000 1.049 437 A CA 1.165 53.244 52.037 0.069 0.000 0.754 437 A CB 0.039 19.070 19.000 0.052 0.000 0.977 437 A HN 0.828 nan 8.150 nan 0.000 0.509 438 E N 1.082 121.390 120.200 0.180 0.000 2.415 438 E HA 0.133 4.484 4.350 0.000 0.000 0.263 438 E C -0.403 176.425 176.600 0.381 0.000 0.995 438 E CA 0.226 56.789 56.400 0.272 0.000 0.915 438 E CB 0.323 30.261 29.700 0.398 0.000 0.951 438 E HN 0.598 nan 8.360 nan 0.000 0.449 439 T N 5.605 120.330 114.554 0.284 0.000 2.739 439 T HA 0.203 4.553 4.350 0.000 0.000 0.298 439 T C -0.656 174.290 174.700 0.411 0.000 0.929 439 T CA -0.295 61.996 62.100 0.319 0.000 1.014 439 T CB -0.176 68.851 68.868 0.266 0.000 0.914 439 T HN 0.214 nan 8.240 nan 0.000 0.509 440 F N 3.285 123.320 119.950 0.141 0.000 2.350 440 F HA 0.336 4.863 4.527 0.000 0.000 0.365 440 F C 0.112 176.029 175.800 0.196 0.000 1.122 440 F CA -1.751 56.362 58.000 0.187 0.000 1.139 440 F CB 0.114 39.138 39.000 0.041 0.000 1.220 440 F HN 0.495 nan 8.300 nan 0.000 0.499 441 Y N 2.690 123.106 120.300 0.193 0.000 2.480 441 Y HA 0.327 4.877 4.550 0.000 0.000 0.341 441 Y C 0.398 176.405 175.900 0.178 0.000 1.031 441 Y CA -0.323 57.862 58.100 0.141 0.000 1.295 441 Y CB 0.453 38.952 38.460 0.065 0.000 1.162 441 Y HN 0.224 nan 8.280 nan 0.000 0.523 442 V N 4.498 124.551 119.914 0.232 0.000 2.716 442 V HA 0.367 4.487 4.120 0.000 0.000 0.304 442 V C -0.233 175.952 176.094 0.152 0.000 1.053 442 V CA -0.414 62.019 62.300 0.222 0.000 0.984 442 V CB 1.827 33.758 31.823 0.179 0.000 1.021 442 V HN 0.722 nan 8.190 nan 0.000 0.467 443 D N 1.168 121.652 120.400 0.140 0.000 2.602 443 D HA 0.699 5.339 4.640 0.000 0.000 0.236 443 D C -0.638 175.710 176.300 0.081 0.000 1.209 443 D CA -0.056 53.995 54.000 0.085 0.000 0.831 443 D CB 2.640 43.476 40.800 0.061 0.000 1.478 443 D HN 0.810 nan 8.370 nan 0.000 0.438 444 G N -0.307 108.525 108.800 0.053 0.000 2.759 444 G HA2 0.712 4.672 3.960 0.000 0.000 0.297 444 G HA3 0.712 4.672 3.960 0.000 0.000 0.297 444 G C -1.735 173.180 174.900 0.024 0.000 1.434 444 G CA -0.097 45.033 45.100 0.051 0.000 0.980 444 G HN 0.521 nan 8.290 nan 0.000 0.531 445 A N -0.107 122.726 122.820 0.022 0.000 2.594 445 A HA 1.122 5.442 4.320 0.000 0.000 0.291 445 A C -0.286 177.307 177.584 0.014 0.000 1.105 445 A CA 0.091 52.133 52.037 0.010 0.000 0.694 445 A CB 1.581 20.584 19.000 0.005 0.000 1.291 445 A HN 2.545 nan 8.150 nan 0.000 0.410 446 A N -0.722 122.104 122.820 0.010 0.000 2.515 446 A HA 0.889 5.209 4.320 0.000 0.000 0.299 446 A C -0.391 177.199 177.584 0.011 0.000 1.179 446 A CA 0.084 52.128 52.037 0.012 0.000 0.656 446 A CB 0.017 19.022 19.000 0.010 0.000 1.306 446 A HN 2.389 nan 8.150 nan 0.000 0.459 447 N N -0.051 118.656 118.700 0.011 0.000 2.430 447 N HA 0.472 5.213 4.740 0.000 0.000 0.292 447 N C 0.478 175.994 175.510 0.010 0.000 1.051 447 N CA -0.360 52.697 53.050 0.011 0.000 0.917 447 N CB 0.721 39.215 38.487 0.011 0.000 1.164 447 N HN 0.623 nan 8.380 nan 0.000 0.484 448 R N -0.186 120.320 120.500 0.011 0.000 2.148 448 R HA -0.011 4.330 4.340 0.000 0.000 0.223 448 R C 0.066 176.371 176.300 0.008 0.000 1.088 448 R CA 1.056 57.162 56.100 0.010 0.000 0.985 448 R CB 0.429 30.737 30.300 0.013 0.000 0.880 448 R HN 0.780 nan 8.270 nan 0.000 0.451 449 E N -0.907 119.298 120.200 0.009 0.000 2.712 449 E HA 0.006 4.356 4.350 0.000 0.000 0.221 449 E C 0.586 177.191 176.600 0.008 0.000 0.943 449 E CA 0.207 56.612 56.400 0.008 0.000 1.259 449 E CB 1.152 30.857 29.700 0.008 0.000 1.167 449 E HN 0.213 nan 8.360 nan 0.000 0.569 450 T N -2.246 112.313 114.554 0.009 0.000 3.010 450 T HA 0.130 4.481 4.350 0.000 0.000 0.257 450 T C 1.003 175.709 174.700 0.010 0.000 1.020 450 T CA 0.761 62.866 62.100 0.009 0.000 0.938 450 T CB 0.062 68.936 68.868 0.009 0.000 1.049 450 T HN 0.064 nan 8.240 nan 0.000 0.522 451 K N 0.997 121.403 120.400 0.010 0.000 3.834 451 K HA -0.002 4.318 4.320 0.000 0.000 0.276 451 K C 0.044 176.652 176.600 0.013 0.000 0.850 451 K CA 1.418 57.712 56.287 0.011 0.000 0.704 451 K CB -2.987 29.519 32.500 0.011 0.000 1.644 451 K HN 1.213 nan 8.250 nan 0.000 0.440 452 L N -2.238 118.994 121.223 0.014 0.000 2.573 452 L HA 0.709 5.050 4.340 0.000 0.000 0.260 452 L C 0.532 177.412 176.870 0.017 0.000 0.997 452 L CA -0.242 54.607 54.840 0.016 0.000 0.890 452 L CB 1.016 43.083 42.059 0.014 0.000 1.179 452 L HN 0.383 nan 8.230 nan 0.000 0.439 453 G N 1.618 110.431 108.800 0.021 0.000 2.588 453 G HA2 0.648 4.608 3.960 0.000 0.000 0.278 453 G HA3 0.648 4.608 3.960 0.000 0.000 0.278 453 G C -0.766 174.150 174.900 0.027 0.000 1.307 453 G CA -0.693 44.421 45.100 0.024 0.000 1.016 453 G HN 0.549 nan 8.290 nan 0.000 0.503 454 K N -0.562 119.856 120.400 0.031 0.000 2.588 454 K HA 0.530 4.850 4.320 0.000 0.000 0.250 454 K C -0.112 176.515 176.600 0.045 0.000 0.972 454 K CA -0.563 55.743 56.287 0.032 0.000 0.821 454 K CB 2.169 34.682 32.500 0.021 0.000 1.249 454 K HN 0.655 nan 8.250 nan 0.000 0.442 455 A N 1.630 124.485 122.820 0.058 0.000 2.806 455 A HA 0.995 5.315 4.320 0.000 0.000 0.254 455 A C 0.197 177.835 177.584 0.090 0.000 1.437 455 A CA 0.015 52.103 52.037 0.085 0.000 0.903 455 A CB 0.691 19.754 19.000 0.105 0.000 1.609 455 A HN 0.862 nan 8.150 nan 0.000 0.505 456 G N -3.210 105.678 108.800 0.148 0.000 2.343 456 G HA2 0.525 4.485 3.960 0.000 0.000 0.465 456 G HA3 0.525 4.485 3.960 0.000 0.000 0.465 456 G C -0.880 174.188 174.900 0.280 0.000 1.282 456 G CA 0.201 45.398 45.100 0.161 0.000 0.996 456 G HN 2.416 nan 8.290 nan 0.000 0.521 457 Y N -3.908 116.436 120.300 0.072 0.000 2.871 457 Y HA 0.840 5.390 4.550 0.000 0.000 0.331 457 Y C -0.995 174.917 175.900 0.020 0.000 1.378 457 Y CA -1.150 57.004 58.100 0.090 0.000 1.079 457 Y CB 0.817 39.389 38.460 0.187 0.000 1.441 457 Y HN 1.230 nan 8.280 nan 0.000 0.446 458 V N 1.046 121.007 119.914 0.078 0.000 2.969 458 V HA 0.667 4.787 4.120 0.000 0.000 0.304 458 V C -0.676 175.407 176.094 -0.018 0.000 1.192 458 V CA -0.096 62.154 62.300 -0.083 0.000 0.962 458 V CB 2.183 33.963 31.823 -0.072 0.000 1.045 458 V HN 1.213 nan 8.190 nan 0.000 0.428 459 T N -0.533 113.928 114.554 -0.154 0.000 2.942 459 T HA 0.344 4.694 4.350 0.000 0.000 0.289 459 T C 0.939 175.567 174.700 -0.119 0.000 1.044 459 T CA -0.078 61.886 62.100 -0.227 0.000 1.023 459 T CB 1.378 69.962 68.868 -0.472 0.000 1.123 459 T HN 0.828 nan 8.240 nan 0.000 0.512 460 N N 0.436 119.106 118.700 -0.049 0.000 2.430 460 N HA -0.136 4.604 4.740 0.000 0.000 0.186 460 N C 0.367 175.849 175.510 -0.047 0.000 1.032 460 N CA 0.520 53.555 53.050 -0.025 0.000 0.893 460 N CB -0.406 38.110 38.487 0.049 0.000 0.957 460 N HN 0.715 nan 8.380 nan 0.000 0.442 461 K N -0.156 120.209 120.400 -0.058 0.000 2.800 461 K HA 0.338 4.658 4.320 0.000 0.000 0.185 461 K C 0.023 176.585 176.600 -0.064 0.000 1.082 461 K CA -0.535 55.724 56.287 -0.048 0.000 0.978 461 K CB 0.694 33.181 32.500 -0.023 0.000 1.364 461 K HN 0.116 nan 8.250 nan 0.000 0.592 462 G N 2.638 111.391 108.800 -0.079 0.000 2.216 462 G HA2 -0.334 3.626 3.960 0.000 0.000 0.263 462 G HA3 -0.334 3.626 3.960 0.000 0.000 0.263 462 G C -0.158 174.688 174.900 -0.090 0.000 0.837 462 G CA 0.430 45.478 45.100 -0.086 0.000 1.227 462 G HN 0.654 nan 8.290 nan 0.000 0.407 463 R N 0.843 121.272 120.500 -0.118 0.000 2.513 463 R HA 0.328 4.668 4.340 0.000 0.000 0.283 463 R C 0.555 176.727 176.300 -0.213 0.000 1.535 463 R CA -0.530 55.501 56.100 -0.116 0.000 1.315 463 R CB 0.518 30.773 30.300 -0.076 0.000 1.163 463 R HN 0.579 nan 8.270 nan 0.000 0.573 464 Q N 1.902 121.558 119.800 -0.240 0.000 2.308 464 Q HA 0.421 4.761 4.340 0.000 0.000 0.207 464 Q C -0.835 174.873 176.000 -0.487 0.000 1.035 464 Q CA -0.457 55.126 55.803 -0.366 0.000 1.008 464 Q CB 1.367 29.970 28.738 -0.225 0.000 1.168 464 Q HN 0.384 nan 8.270 nan 0.000 0.565 465 K N -0.779 119.307 120.400 -0.523 0.000 2.774 465 K HA 0.404 4.724 4.320 0.000 0.000 0.283 465 K C -2.282 174.174 176.600 -0.240 0.000 1.050 465 K CA -0.372 55.682 56.287 -0.389 0.000 0.872 465 K CB 1.529 33.736 32.500 -0.488 0.000 1.434 465 K HN 0.368 nan 8.250 nan 0.000 0.372 466 V N 2.445 122.302 119.914 -0.096 0.000 2.737 466 V HA 0.313 4.433 4.120 0.000 0.000 0.298 466 V C -1.284 174.813 176.094 0.006 0.000 1.163 466 V CA -0.880 61.401 62.300 -0.031 0.000 0.925 466 V CB 1.957 33.758 31.823 -0.037 0.000 1.037 466 V HN 0.495 nan 8.190 nan 0.000 0.433 467 V N 7.328 127.264 119.914 0.037 0.000 2.284 467 V HA 0.373 4.493 4.120 0.000 0.000 0.274 467 V C -2.061 174.058 176.094 0.040 0.000 1.023 467 V CA -1.765 60.559 62.300 0.041 0.000 0.808 467 V CB 1.991 33.848 31.823 0.057 0.000 1.035 467 V HN 0.718 nan 8.190 nan 0.000 0.445 468 P HA 0.108 nan 4.420 nan 0.000 0.264 468 P C -0.847 176.472 177.300 0.033 0.000 1.183 468 P CA 0.403 63.519 63.100 0.026 0.000 0.763 468 P CB 0.934 32.644 31.700 0.018 0.000 0.807 469 L N 2.525 123.768 121.223 0.034 0.000 2.323 469 L HA 0.664 5.004 4.340 0.000 0.000 0.265 469 L C 0.355 177.242 176.870 0.029 0.000 1.012 469 L CA -0.601 54.261 54.840 0.037 0.000 0.820 469 L CB 2.296 44.382 42.059 0.046 0.000 1.334 469 L HN 0.258 nan 8.230 nan 0.000 0.427 470 T N 0.192 114.763 114.554 0.029 0.000 2.916 470 T HA 0.336 4.686 4.350 0.000 0.000 0.298 470 T C -0.075 174.640 174.700 0.024 0.000 1.031 470 T CA -0.417 61.697 62.100 0.023 0.000 0.993 470 T CB 1.419 70.299 68.868 0.020 0.000 1.045 470 T HN 0.660 nan 8.240 nan 0.000 0.454 471 N N 1.033 119.746 118.700 0.021 0.000 2.818 471 N HA -0.133 4.607 4.740 0.000 0.000 0.250 471 N C -0.193 175.331 175.510 0.024 0.000 1.108 471 N CA 1.524 54.587 53.050 0.020 0.000 0.745 471 N CB -1.159 37.340 38.487 0.020 0.000 1.104 471 N HN 0.933 nan 8.380 nan 0.000 0.557 472 T N -2.985 111.584 114.554 0.025 0.000 2.792 472 T HA 0.523 4.873 4.350 0.000 0.000 0.280 472 T C 0.436 175.148 174.700 0.020 0.000 0.990 472 T CA -0.330 61.787 62.100 0.029 0.000 0.960 472 T CB 2.506 71.396 68.868 0.038 0.000 0.939 472 T HN 0.157 nan 8.240 nan 0.000 0.439 473 T N 2.118 116.681 114.554 0.016 0.000 2.898 473 T HA 0.138 4.488 4.350 0.000 0.000 0.301 473 T C 1.524 176.217 174.700 -0.012 0.000 1.049 473 T CA -0.419 61.679 62.100 -0.003 0.000 1.095 473 T CB 0.363 69.223 68.868 -0.013 0.000 0.976 473 T HN 0.664 nan 8.240 nan 0.000 0.539 474 N N 1.751 120.434 118.700 -0.029 0.000 2.094 474 N HA -0.147 4.593 4.740 0.000 0.000 0.191 474 N C 1.887 177.358 175.510 -0.065 0.000 1.023 474 N CA 1.843 54.872 53.050 -0.035 0.000 0.857 474 N CB -0.162 38.300 38.487 -0.042 0.000 1.013 474 N HN 0.701 nan 8.380 nan 0.000 0.426 475 Q N 0.555 120.266 119.800 -0.148 0.000 2.030 475 Q HA -0.167 4.173 4.340 0.000 0.000 0.204 475 Q C 2.124 178.108 176.000 -0.028 0.000 0.986 475 Q CA 1.620 57.249 55.803 -0.289 0.000 0.843 475 Q CB -0.110 28.293 28.738 -0.559 0.000 0.904 475 Q HN 0.321 nan 8.270 nan 0.000 0.420 476 K N -0.143 120.270 120.400 0.021 0.000 2.032 476 K HA -0.164 4.156 4.320 0.000 0.000 0.209 476 K C 2.028 178.684 176.600 0.094 0.000 1.048 476 K CA 1.793 58.133 56.287 0.089 0.000 0.927 476 K CB -0.076 32.465 32.500 0.067 0.000 0.712 476 K HN 0.120 nan 8.250 nan 0.000 0.441 477 T N 1.189 115.782 114.554 0.065 0.000 2.684 477 T HA -0.150 4.200 4.350 0.000 0.000 0.267 477 T C 1.421 176.177 174.700 0.093 0.000 1.036 477 T CA 1.895 64.038 62.100 0.072 0.000 1.148 477 T CB -0.248 68.649 68.868 0.048 0.000 0.863 477 T HN 0.421 nan 8.240 nan 0.000 0.436 478 E N 0.334 120.589 120.200 0.092 0.000 2.204 478 E HA -0.074 4.276 4.350 0.000 0.000 0.195 478 E C 1.948 178.639 176.600 0.151 0.000 0.990 478 E CA 0.511 56.983 56.400 0.119 0.000 0.821 478 E CB -0.124 29.655 29.700 0.133 0.000 0.750 478 E HN 0.173 nan 8.360 nan 0.000 0.477 479 L N 0.619 121.942 121.223 0.167 0.000 2.068 479 L HA -0.123 4.217 4.340 0.000 0.000 0.204 479 L C 2.368 179.326 176.870 0.146 0.000 1.076 479 L CA 1.724 56.660 54.840 0.159 0.000 0.753 479 L CB -0.695 41.471 42.059 0.178 0.000 0.910 479 L HN 0.042 nan 8.230 nan 0.000 0.439 480 Q N -0.392 119.496 119.800 0.147 0.000 2.181 480 Q HA -0.145 4.196 4.340 0.000 0.000 0.205 480 Q C 2.045 178.157 176.000 0.188 0.000 0.980 480 Q CA 1.891 57.801 55.803 0.179 0.000 0.862 480 Q CB -0.216 28.611 28.738 0.148 0.000 0.905 480 Q HN 0.479 nan 8.270 nan 0.000 0.429 481 A N 0.017 122.931 122.820 0.156 0.000 2.015 481 A HA -0.089 4.231 4.320 0.000 0.000 0.219 481 A C 1.949 179.626 177.584 0.155 0.000 1.163 481 A CA 1.361 53.495 52.037 0.160 0.000 0.646 481 A CB -0.540 18.549 19.000 0.148 0.000 0.806 481 A HN 0.511 nan 8.150 nan 0.000 0.448 482 I N -2.366 118.288 120.570 0.140 0.000 2.406 482 I HA -0.132 4.039 4.170 0.000 0.000 0.249 482 I C 2.398 178.574 176.117 0.097 0.000 1.122 482 I CA 0.990 62.349 61.300 0.100 0.000 1.431 482 I CB -0.436 37.618 38.000 0.090 0.000 1.087 482 I HN 0.423 nan 8.210 nan 0.000 0.424 483 Y N 1.866 122.164 120.300 -0.003 0.000 2.145 483 Y HA -0.223 4.327 4.550 0.000 0.000 0.286 483 Y C 2.353 178.233 175.900 -0.034 0.000 1.145 483 Y CA 1.337 59.421 58.100 -0.026 0.000 1.148 483 Y CB -0.462 37.998 38.460 -0.001 0.000 0.981 483 Y HN -0.001 nan 8.280 nan 0.000 0.507 484 L N -0.025 121.163 121.223 -0.058 0.000 1.971 484 L HA -0.276 4.064 4.340 0.000 0.000 0.215 484 L C 2.565 179.323 176.870 -0.187 0.000 1.072 484 L CA 2.265 57.035 54.840 -0.115 0.000 0.758 484 L CB -1.503 40.619 42.059 0.104 0.000 0.889 484 L HN 0.400 nan 8.230 nan 0.000 0.433 485 A N -0.601 122.122 122.820 -0.162 0.000 2.024 485 A HA -0.206 4.114 4.320 0.000 0.000 0.220 485 A C 2.233 179.513 177.584 -0.506 0.000 1.164 485 A CA 1.416 53.222 52.037 -0.385 0.000 0.643 485 A CB -0.498 18.430 19.000 -0.121 0.000 0.806 485 A HN 0.474 nan 8.150 nan 0.000 0.451 486 L N -1.264 119.779 121.223 -0.301 0.000 2.023 486 L HA -0.222 4.119 4.340 0.000 0.000 0.205 486 L C 2.837 179.536 176.870 -0.285 0.000 1.073 486 L CA 1.582 56.258 54.840 -0.272 0.000 0.745 486 L CB -0.612 41.403 42.059 -0.074 0.000 0.900 486 L HN 0.411 nan 8.230 nan 0.000 0.435 487 Q N -0.087 119.542 119.800 -0.285 0.000 2.197 487 Q HA -0.215 4.125 4.340 0.000 0.000 0.207 487 Q C 0.398 176.303 176.000 -0.159 0.000 0.984 487 Q CA 1.432 57.091 55.803 -0.240 0.000 0.869 487 Q CB -0.131 28.410 28.738 -0.329 0.000 0.906 487 Q HN 0.447 nan 8.270 nan 0.000 0.426 488 D N 0.017 120.316 120.400 -0.168 0.000 2.561 488 D HA 0.145 4.785 4.640 0.000 0.000 0.232 488 D C -0.680 175.638 176.300 0.030 0.000 1.198 488 D CA 0.163 54.158 54.000 -0.008 0.000 0.826 488 D CB 0.427 41.312 40.800 0.140 0.000 0.992 488 D HN -0.057 nan 8.370 nan 0.000 0.490 489 S N -1.085 114.531 115.700 -0.141 0.000 2.568 489 S HA 0.648 5.118 4.470 0.000 0.000 0.293 489 S C 1.138 175.701 174.600 -0.062 0.000 1.089 489 S CA -0.851 57.265 58.200 -0.140 0.000 0.945 489 S CB 2.368 65.304 63.200 -0.440 0.000 1.077 489 S HN 0.198 nan 8.310 nan 0.000 0.485 490 G N 0.591 109.385 108.800 -0.010 0.000 2.587 490 G HA2 0.128 4.088 3.960 0.000 0.000 0.197 490 G HA3 0.128 4.088 3.960 0.000 0.000 0.197 490 G C 0.713 175.605 174.900 -0.014 0.000 1.540 490 G CA 0.420 45.520 45.100 0.001 0.000 0.910 490 G HN 0.533 nan 8.290 nan 0.000 0.437 491 L N -0.109 121.113 121.223 -0.002 0.000 2.445 491 L HA 0.293 4.634 4.340 0.000 0.000 0.207 491 L C 0.704 177.573 176.870 -0.002 0.000 1.053 491 L CA 0.229 55.068 54.840 -0.001 0.000 0.841 491 L CB 0.126 42.192 42.059 0.011 0.000 1.074 491 L HN 0.520 nan 8.230 nan 0.000 0.479 492 E N 0.118 120.321 120.200 0.006 0.000 2.187 492 E HA 0.565 4.915 4.350 0.000 0.000 0.268 492 E C -1.121 175.481 176.600 0.003 0.000 0.896 492 E CA -0.462 55.946 56.400 0.014 0.000 0.766 492 E CB 3.028 32.746 29.700 0.029 0.000 1.142 492 E HN -0.166 nan 8.360 nan 0.000 0.408 493 V N 2.322 122.232 119.914 -0.006 0.000 3.159 493 V HA 0.474 4.594 4.120 0.000 0.000 0.308 493 V C -1.564 174.554 176.094 0.039 0.000 1.190 493 V CA -0.840 61.442 62.300 -0.030 0.000 1.037 493 V CB 2.491 34.194 31.823 -0.200 0.000 1.060 493 V HN 0.873 nan 8.190 nan 0.000 0.437 494 N N 3.611 122.351 118.700 0.067 0.000 2.296 494 N HA 0.632 5.372 4.740 0.000 0.000 0.294 494 N C -1.549 174.046 175.510 0.142 0.000 1.033 494 N CA -0.380 52.757 53.050 0.146 0.000 0.839 494 N CB 2.477 41.013 38.487 0.082 0.000 1.395 494 N HN 0.452 nan 8.380 nan 0.000 0.479 495 I N 1.889 122.552 120.570 0.155 0.000 2.500 495 I HA 0.228 4.398 4.170 0.000 0.000 0.286 495 I C -0.463 175.694 176.117 0.067 0.000 1.063 495 I CA -0.969 60.390 61.300 0.099 0.000 1.062 495 I CB 2.210 40.233 38.000 0.039 0.000 1.223 495 I HN 0.086 nan 8.210 nan 0.000 0.435 496 V N 4.583 124.469 119.914 -0.047 0.000 2.406 496 V HA 0.336 4.456 4.120 0.000 0.000 0.272 496 V C 0.392 176.449 176.094 -0.061 0.000 1.043 496 V CA -0.315 61.901 62.300 -0.140 0.000 0.915 496 V CB 0.901 32.396 31.823 -0.546 0.000 0.988 496 V HN 0.724 nan 8.190 nan 0.000 0.466 497 T N 2.647 117.212 114.554 0.017 0.000 2.867 497 T HA 0.225 4.575 4.350 0.000 0.000 0.282 497 T C 0.753 175.415 174.700 -0.064 0.000 1.000 497 T CA -0.300 61.835 62.100 0.057 0.000 1.042 497 T CB 2.079 71.057 68.868 0.183 0.000 0.973 497 T HN 0.762 nan 8.240 nan 0.000 0.465 498 D N 1.743 122.129 120.400 -0.024 0.000 2.075 498 D HA -0.057 4.584 4.640 0.000 0.000 0.196 498 D C 1.085 177.385 176.300 -0.000 0.000 0.985 498 D CA 1.136 55.085 54.000 -0.085 0.000 0.834 498 D CB 0.091 40.883 40.800 -0.013 0.000 0.987 498 D HN 0.466 nan 8.370 nan 0.000 0.452 499 S N -0.488 115.314 115.700 0.170 0.000 2.549 499 S HA 0.053 4.523 4.470 0.000 0.000 0.279 499 S C 0.677 175.602 174.600 0.541 0.000 1.321 499 S CA -0.255 58.133 58.200 0.314 0.000 1.054 499 S CB 1.235 64.594 63.200 0.265 0.000 0.899 499 S HN 0.248 nan 8.310 nan 0.000 0.497 500 Q N 3.209 123.338 119.800 0.548 0.000 2.123 500 Q HA -0.062 4.278 4.340 0.000 0.000 0.196 500 Q C 1.556 177.601 176.000 0.074 0.000 0.958 500 Q CA 0.972 56.894 55.803 0.199 0.000 0.841 500 Q CB -0.225 28.567 28.738 0.091 0.000 0.915 500 Q HN 0.973 nan 8.270 nan 0.000 0.455 501 Y N 0.580 120.900 120.300 0.033 0.000 2.053 501 Y HA -0.318 4.232 4.550 0.000 0.000 0.277 501 Y C 1.987 177.872 175.900 -0.024 0.000 1.159 501 Y CA 2.209 60.302 58.100 -0.012 0.000 1.125 501 Y CB -0.606 37.860 38.460 0.010 0.000 0.969 501 Y HN 0.151 nan 8.280 nan 0.000 0.492 502 A N 0.254 123.109 122.820 0.059 0.000 1.969 502 A HA -0.137 4.184 4.320 0.000 0.000 0.218 502 A C 2.218 179.756 177.584 -0.077 0.000 1.169 502 A CA 1.577 53.574 52.037 -0.066 0.000 0.635 502 A CB -1.186 17.912 19.000 0.164 0.000 0.810 502 A HN 0.653 nan 8.150 nan 0.000 0.445 503 L N -0.074 121.145 121.223 -0.007 0.000 1.976 503 L HA 0.017 4.357 4.340 0.000 0.000 0.209 503 L C 2.327 179.126 176.870 -0.118 0.000 1.071 503 L CA 2.416 57.235 54.840 -0.035 0.000 0.746 503 L CB -0.952 41.074 42.059 -0.056 0.000 0.890 503 L HN 0.258 nan 8.230 nan 0.000 0.432 504 G N -0.665 108.027 108.800 -0.179 0.000 2.625 504 G HA2 -0.125 3.835 3.960 0.000 0.000 0.214 504 G HA3 -0.125 3.835 3.960 0.000 0.000 0.214 504 G C 1.449 176.246 174.900 -0.170 0.000 1.132 504 G CA 0.798 45.786 45.100 -0.187 0.000 0.782 504 G HN 0.481 nan 8.290 nan 0.000 0.538 505 I N -0.252 120.177 120.570 -0.235 0.000 3.265 505 I HA 0.190 4.360 4.170 0.000 0.000 0.282 505 I C 1.998 178.059 176.117 -0.094 0.000 1.207 505 I CA 0.466 61.611 61.300 -0.258 0.000 1.449 505 I CB 0.191 37.857 38.000 -0.556 0.000 1.121 505 I HN 0.143 nan 8.210 nan 0.000 0.442 506 I N -0.030 120.508 120.570 -0.054 0.000 3.783 506 I HA -0.095 4.075 4.170 0.000 0.000 0.310 506 I C 2.212 178.378 176.117 0.081 0.000 1.274 506 I CA 0.339 61.664 61.300 0.042 0.000 1.294 506 I CB 0.096 38.118 38.000 0.036 0.000 1.051 506 I HN 0.169 nan 8.210 nan 0.000 0.435 507 Q N 1.391 121.213 119.800 0.036 0.000 2.083 507 Q HA -0.018 4.322 4.340 0.000 0.000 0.198 507 Q C 2.282 178.369 176.000 0.145 0.000 0.969 507 Q CA 1.762 57.597 55.803 0.053 0.000 0.838 507 Q CB -0.136 28.596 28.738 -0.009 0.000 0.900 507 Q HN 0.483 nan 8.270 nan 0.000 0.436 508 A N 0.907 123.839 122.820 0.187 0.000 2.225 508 A HA -0.143 4.177 4.320 0.000 0.000 0.215 508 A C -0.013 177.734 177.584 0.271 0.000 1.164 508 A CA 0.867 53.118 52.037 0.357 0.000 0.710 508 A CB -0.721 18.485 19.000 0.344 0.000 0.780 508 A HN 0.549 nan 8.150 nan 0.000 0.473 509 Q N -2.773 117.098 119.800 0.119 0.000 2.439 509 Q HA -0.174 4.166 4.340 0.000 0.000 0.361 509 Q C -2.361 173.602 176.000 -0.061 0.000 1.408 509 Q CA 0.614 56.374 55.803 -0.072 0.000 1.052 509 Q CB -2.240 26.175 28.738 -0.538 0.000 1.233 509 Q HN 0.446 nan 8.270 nan 0.000 0.347 510 P HA 0.104 nan 4.420 nan 0.000 0.312 510 P C 0.117 177.556 177.300 0.232 0.000 1.307 510 P CA 0.852 64.038 63.100 0.145 0.000 0.738 510 P CB 0.369 32.176 31.700 0.178 0.000 1.422 511 D N -4.518 115.991 120.400 0.181 0.000 1.903 511 D HA 0.076 4.716 4.640 0.000 0.000 0.387 511 D C -0.300 176.019 176.300 0.033 0.000 1.124 511 D CA 0.155 54.241 54.000 0.145 0.000 1.078 511 D CB -0.209 40.743 40.800 0.253 0.000 1.882 511 D HN 0.077 nan 8.370 nan 0.000 0.529 512 K N 0.133 120.562 120.400 0.049 0.000 2.156 512 K HA 0.844 5.164 4.320 0.000 0.000 0.250 512 K C -0.956 175.634 176.600 -0.016 0.000 0.955 512 K CA -0.694 55.593 56.287 -0.000 0.000 0.855 512 K CB 2.109 34.615 32.500 0.010 0.000 1.101 512 K HN 0.035 nan 8.250 nan 0.000 0.434 513 S N -0.224 115.448 115.700 -0.046 0.000 2.633 513 S HA 0.191 4.661 4.470 0.000 0.000 0.271 513 S C 0.099 174.660 174.600 -0.065 0.000 1.112 513 S CA -0.255 57.898 58.200 -0.078 0.000 0.828 513 S CB 1.329 64.480 63.200 -0.082 0.000 1.086 513 S HN 0.737 nan 8.310 nan 0.000 0.461 514 E N 0.175 120.335 120.200 -0.066 0.000 2.318 514 E HA 0.247 4.597 4.350 0.000 0.000 0.193 514 E C 0.774 177.352 176.600 -0.036 0.000 0.998 514 E CA 0.919 57.291 56.400 -0.046 0.000 0.859 514 E CB 0.046 29.723 29.700 -0.038 0.000 0.812 514 E HN 0.508 nan 8.360 nan 0.000 0.492 515 S N 1.079 116.759 115.700 -0.033 0.000 2.437 515 S HA 0.049 4.520 4.470 0.000 0.000 0.304 515 S C 0.969 175.549 174.600 -0.033 0.000 1.167 515 S CA -0.281 57.912 58.200 -0.012 0.000 1.106 515 S CB 0.217 63.435 63.200 0.029 0.000 1.099 515 S HN 0.402 nan 8.310 nan 0.000 0.524 516 E N 3.512 123.687 120.200 -0.041 0.000 2.219 516 E HA -0.170 4.180 4.350 0.000 0.000 0.198 516 E C 1.616 178.148 176.600 -0.114 0.000 0.998 516 E CA 0.765 57.123 56.400 -0.070 0.000 0.818 516 E CB -0.083 29.588 29.700 -0.049 0.000 0.741 516 E HN 0.778 nan 8.360 nan 0.000 0.477 517 L N 0.051 121.228 121.223 -0.078 0.000 1.994 517 L HA -0.188 4.152 4.340 0.000 0.000 0.208 517 L C 2.290 179.067 176.870 -0.155 0.000 1.071 517 L CA 1.338 56.114 54.840 -0.105 0.000 0.745 517 L CB -0.222 41.832 42.059 -0.008 0.000 0.892 517 L HN -0.069 nan 8.230 nan 0.000 0.431 518 V N -0.240 119.637 119.914 -0.062 0.000 2.591 518 V HA -0.141 3.979 4.120 0.000 0.000 0.249 518 V C 2.194 178.232 176.094 -0.094 0.000 1.053 518 V CA 1.448 63.725 62.300 -0.039 0.000 1.068 518 V CB -1.065 30.808 31.823 0.085 0.000 0.689 518 V HN 0.478 nan 8.190 nan 0.000 0.462 519 N N 0.464 119.098 118.700 -0.109 0.000 2.244 519 N HA -0.182 4.558 4.740 0.000 0.000 0.183 519 N C 1.926 177.316 175.510 -0.201 0.000 1.016 519 N CA 1.235 54.206 53.050 -0.130 0.000 0.866 519 N CB -0.179 38.241 38.487 -0.112 0.000 0.980 519 N HN 0.572 nan 8.380 nan 0.000 0.430 520 Q N 0.184 119.802 119.800 -0.303 0.000 2.297 520 Q HA 0.117 4.457 4.340 0.000 0.000 0.204 520 Q C 1.910 177.590 176.000 -0.534 0.000 0.962 520 Q CA 0.426 55.943 55.803 -0.477 0.000 0.879 520 Q CB 0.185 28.440 28.738 -0.804 0.000 0.947 520 Q HN 0.384 nan 8.270 nan 0.000 0.462 521 I N -0.261 120.061 120.570 -0.414 0.000 2.333 521 I HA -0.228 3.942 4.170 0.000 0.000 0.246 521 I C 1.929 177.932 176.117 -0.190 0.000 1.106 521 I CA 0.662 61.836 61.300 -0.210 0.000 1.411 521 I CB -0.045 37.881 38.000 -0.122 0.000 1.082 521 I HN 0.190 nan 8.210 nan 0.000 0.420 522 I N 1.024 121.468 120.570 -0.210 0.000 2.127 522 I HA -0.333 3.837 4.170 0.000 0.000 0.241 522 I C 2.416 178.353 176.117 -0.300 0.000 1.075 522 I CA 1.754 62.892 61.300 -0.270 0.000 1.334 522 I CB -0.325 37.577 38.000 -0.163 0.000 1.040 522 I HN 0.224 nan 8.210 nan 0.000 0.405 523 E N 0.095 120.167 120.200 -0.215 0.000 2.118 523 E HA -0.266 4.085 4.350 0.000 0.000 0.195 523 E C 2.222 178.745 176.600 -0.128 0.000 0.992 523 E CA 1.036 57.336 56.400 -0.167 0.000 0.804 523 E CB -0.052 29.575 29.700 -0.122 0.000 0.741 523 E HN 0.498 nan 8.360 nan 0.000 0.458 524 Q N 0.176 119.918 119.800 -0.097 0.000 2.083 524 Q HA -0.085 4.255 4.340 0.000 0.000 0.198 524 Q C 2.431 178.357 176.000 -0.123 0.000 0.969 524 Q CA 0.874 56.646 55.803 -0.052 0.000 0.838 524 Q CB -0.174 28.583 28.738 0.031 0.000 0.900 524 Q HN 0.375 nan 8.270 nan 0.000 0.436 525 L N 0.314 121.395 121.223 -0.237 0.000 2.046 525 L HA -0.159 4.181 4.340 0.000 0.000 0.208 525 L C 2.379 179.083 176.870 -0.276 0.000 1.077 525 L CA 0.915 55.549 54.840 -0.344 0.000 0.747 525 L CB -0.395 41.211 42.059 -0.755 0.000 0.896 525 L HN 0.154 nan 8.230 nan 0.000 0.432 526 I N -0.477 119.928 120.570 -0.275 0.000 2.394 526 I HA -0.277 3.893 4.170 0.000 0.000 0.251 526 I C 2.525 178.635 176.117 -0.011 0.000 1.136 526 I CA 1.312 62.564 61.300 -0.081 0.000 1.425 526 I CB -0.212 37.739 38.000 -0.082 0.000 1.079 526 I HN 0.221 nan 8.210 nan 0.000 0.425 527 K N 0.727 121.103 120.400 -0.041 0.000 2.284 527 K HA 0.024 4.344 4.320 0.000 0.000 0.198 527 K C 0.759 177.357 176.600 -0.004 0.000 1.048 527 K CA 0.129 56.409 56.287 -0.012 0.000 0.987 527 K CB 0.423 32.910 32.500 -0.021 0.000 0.800 527 K HN -0.011 nan 8.250 nan 0.000 0.486 528 K N 1.080 121.468 120.400 -0.019 0.000 2.336 528 K HA -0.051 4.269 4.320 0.000 0.000 0.262 528 K C 1.179 177.791 176.600 0.019 0.000 0.992 528 K CA 0.701 56.982 56.287 -0.010 0.000 0.927 528 K CB 1.016 33.498 32.500 -0.029 0.000 0.956 528 K HN 0.253 nan 8.250 nan 0.000 0.495 529 E N 3.420 123.634 120.200 0.022 0.000 2.025 529 E HA -0.039 4.311 4.350 0.000 0.000 0.198 529 E C -0.000 176.632 176.600 0.054 0.000 0.955 529 E CA 1.002 57.425 56.400 0.039 0.000 0.862 529 E CB -0.140 29.580 29.700 0.032 0.000 0.837 529 E HN 0.518 nan 8.360 nan 0.000 0.488 530 K N 0.575 121.006 120.400 0.051 0.000 2.367 530 K HA 0.544 4.864 4.320 0.000 0.000 0.263 530 K C -1.215 175.431 176.600 0.077 0.000 1.000 530 K CA -0.490 55.840 56.287 0.072 0.000 0.891 530 K CB 1.986 34.529 32.500 0.072 0.000 1.117 530 K HN 0.242 nan 8.250 nan 0.000 0.443 531 V N 2.957 122.928 119.914 0.094 0.000 2.483 531 V HA 0.350 4.470 4.120 0.000 0.000 0.295 531 V C -0.897 175.288 176.094 0.151 0.000 1.035 531 V CA -1.025 61.331 62.300 0.092 0.000 0.896 531 V CB 0.891 32.753 31.823 0.065 0.000 0.986 531 V HN 0.627 nan 8.190 nan 0.000 0.447 532 Y N 4.553 124.867 120.300 0.022 0.000 2.346 532 Y HA 0.725 5.275 4.550 0.000 0.000 0.332 532 Y C -1.263 174.655 175.900 0.029 0.000 0.985 532 Y CA -1.031 57.089 58.100 0.033 0.000 1.112 532 Y CB 1.762 40.240 38.460 0.031 0.000 1.170 532 Y HN 0.567 nan 8.280 nan 0.000 0.447 533 L N 6.197 127.211 121.223 -0.347 0.000 2.294 533 L HA 0.768 5.108 4.340 0.000 0.000 0.283 533 L C 0.001 176.750 176.870 -0.202 0.000 1.015 533 L CA -0.212 54.538 54.840 -0.150 0.000 0.831 533 L CB 0.964 42.979 42.059 -0.073 0.000 1.217 533 L HN 0.825 nan 8.230 nan 0.000 0.420 534 A N 3.118 125.972 122.820 0.057 0.000 2.274 534 A HA 0.758 5.078 4.320 0.000 0.000 0.297 534 A C -1.503 176.204 177.584 0.206 0.000 1.191 534 A CA -0.335 51.799 52.037 0.161 0.000 0.889 534 A CB 0.649 19.788 19.000 0.232 0.000 1.294 534 A HN 0.731 nan 8.150 nan 0.000 0.506 535 W N -1.011 120.282 121.300 -0.012 0.000 3.573 535 W HA 0.486 5.146 4.660 0.000 0.000 0.306 535 W C -1.711 174.805 176.519 -0.005 0.000 1.227 535 W CA -0.370 56.966 57.345 -0.016 0.000 1.212 535 W CB 1.436 30.884 29.460 -0.020 0.000 1.331 535 W HN 0.912 nan 8.180 nan 0.000 0.524 536 V N 3.297 122.699 119.914 -0.854 0.000 2.888 536 V HA 0.744 4.864 4.120 0.000 0.000 0.309 536 V C -2.567 172.742 176.094 -1.308 0.000 1.114 536 V CA -2.586 59.203 62.300 -0.852 0.000 0.940 536 V CB 1.872 33.483 31.823 -0.353 0.000 1.021 536 V HN 0.468 nan 8.190 nan 0.000 0.426 537 P HA 0.349 nan 4.420 nan 0.000 0.271 537 P C -0.085 177.018 177.300 -0.329 0.000 1.216 537 P CA 0.409 63.109 63.100 -0.666 0.000 0.771 537 P CB 1.367 32.880 31.700 -0.312 0.000 0.864 538 A N 3.152 125.842 122.820 -0.218 0.000 2.272 538 A HA 0.314 4.635 4.320 0.000 0.000 0.275 538 A C 0.666 178.207 177.584 -0.072 0.000 1.096 538 A CA -0.226 51.695 52.037 -0.192 0.000 0.822 538 A CB -0.567 18.278 19.000 -0.257 0.000 1.088 538 A HN 0.779 nan 8.150 nan 0.000 0.495 539 H N -1.032 118.021 119.070 -0.028 0.000 3.010 539 H HA -0.115 4.441 4.556 0.000 0.000 0.272 539 H C 0.240 175.556 175.328 -0.019 0.000 1.151 539 H CA 1.620 57.659 56.048 -0.015 0.000 1.159 539 H CB -0.851 28.910 29.762 -0.003 0.000 1.295 539 H HN 0.686 nan 8.280 nan 0.000 0.344 540 K N -0.458 119.975 120.400 0.054 0.000 2.665 540 K HA 0.211 4.531 4.320 0.000 0.000 0.194 540 K C 1.178 177.778 176.600 -0.000 0.000 1.135 540 K CA 0.502 56.805 56.287 0.027 0.000 1.089 540 K CB 0.665 33.174 32.500 0.015 0.000 0.817 540 K HN 0.380 nan 8.250 nan 0.000 0.506 541 G N 1.098 109.896 108.800 -0.005 0.000 2.200 541 G HA2 -0.358 3.602 3.960 0.000 0.000 0.268 541 G HA3 -0.358 3.602 3.960 0.000 0.000 0.268 541 G C 0.492 175.384 174.900 -0.014 0.000 0.986 541 G CA 0.845 45.940 45.100 -0.009 0.000 0.677 541 G HN 0.374 nan 8.290 nan 0.000 0.532 542 I N -0.710 119.839 120.570 -0.036 0.000 2.618 542 I HA 0.646 4.816 4.170 0.000 0.000 0.284 542 I C 2.045 178.159 176.117 -0.006 0.000 1.146 542 I CA 1.370 62.646 61.300 -0.039 0.000 1.425 542 I CB -0.007 37.933 38.000 -0.100 0.000 1.383 542 I HN 2.153 nan 8.210 nan 0.000 0.562 543 G N 3.566 112.402 108.800 0.060 0.000 5.259 543 G HA2 0.155 4.115 3.960 0.000 0.000 0.288 543 G HA3 0.155 4.115 3.960 0.000 0.000 0.288 543 G C 1.260 176.270 174.900 0.183 0.000 1.534 543 G CA 0.740 45.971 45.100 0.217 0.000 1.031 543 G HN 2.665 nan 8.290 nan 0.000 0.724 544 G N -0.338 108.534 108.800 0.119 0.000 4.802 544 G HA2 0.302 4.262 3.960 0.000 0.000 0.238 544 G HA3 0.302 4.262 3.960 0.000 0.000 0.238 544 G C 0.610 175.507 174.900 -0.005 0.000 0.974 544 G CA 1.119 46.208 45.100 -0.019 0.000 0.798 544 G HN 0.507 nan 8.290 nan 0.000 0.301 545 N N 0.929 119.638 118.700 0.014 0.000 2.247 545 N HA -0.189 4.551 4.740 0.000 0.000 0.189 545 N C 2.286 177.788 175.510 -0.014 0.000 1.009 545 N CA 1.645 54.693 53.050 -0.004 0.000 0.872 545 N CB 0.187 38.663 38.487 -0.018 0.000 0.980 545 N HN 0.690 nan 8.380 nan 0.000 0.436 546 E N 1.660 121.849 120.200 -0.018 0.000 2.049 546 E HA -0.228 4.122 4.350 0.000 0.000 0.198 546 E C 1.760 178.344 176.600 -0.027 0.000 1.007 546 E CA 1.785 58.172 56.400 -0.021 0.000 0.809 546 E CB -0.867 28.818 29.700 -0.025 0.000 0.749 546 E HN 0.629 nan 8.360 nan 0.000 0.450 547 Q N -0.289 119.487 119.800 -0.039 0.000 2.396 547 Q HA 0.099 4.439 4.340 0.000 0.000 0.209 547 Q C 2.196 178.172 176.000 -0.040 0.000 0.906 547 Q CA 1.166 56.943 55.803 -0.044 0.000 0.927 547 Q CB 0.274 28.976 28.738 -0.061 0.000 1.069 547 Q HN 0.408 nan 8.270 nan 0.000 0.523 548 V N 1.906 121.801 119.914 -0.031 0.000 2.548 548 V HA -0.133 3.987 4.120 0.000 0.000 0.249 548 V C 1.758 177.849 176.094 -0.007 0.000 1.055 548 V CA 2.055 64.348 62.300 -0.012 0.000 1.065 548 V CB -0.293 31.546 31.823 0.026 0.000 0.681 548 V HN 0.384 nan 8.190 nan 0.000 0.462 549 D N -0.227 120.167 120.400 -0.011 0.000 2.368 549 D HA 0.096 4.736 4.640 0.000 0.000 0.218 549 D C 1.755 178.048 176.300 -0.011 0.000 1.112 549 D CA 0.664 54.657 54.000 -0.011 0.000 0.834 549 D CB 0.575 41.365 40.800 -0.018 0.000 0.953 549 D HN 0.494 nan 8.370 nan 0.000 0.505 550 K N 0.198 120.589 120.400 -0.015 0.000 2.356 550 K HA 0.060 4.380 4.320 0.000 0.000 0.195 550 K C 1.997 178.585 176.600 -0.019 0.000 1.037 550 K CA 0.469 56.746 56.287 -0.016 0.000 1.014 550 K CB -0.417 32.072 32.500 -0.019 0.000 0.815 550 K HN 0.224 nan 8.250 nan 0.000 0.507 551 L N -1.255 119.955 121.223 -0.023 0.000 2.221 551 L HA 0.195 4.535 4.340 0.000 0.000 0.202 551 L C 1.972 178.830 176.870 -0.020 0.000 1.074 551 L CA 0.593 55.416 54.840 -0.028 0.000 0.795 551 L CB -0.707 41.327 42.059 -0.042 0.000 0.960 551 L HN -0.004 nan 8.230 nan 0.000 0.458 552 V N -0.892 119.015 119.914 -0.013 0.000 3.544 552 V HA 0.235 4.355 4.120 0.000 0.000 0.304 552 V C 0.843 176.936 176.094 -0.001 0.000 1.256 552 V CA -0.171 62.127 62.300 -0.004 0.000 1.232 552 V CB -2.185 29.641 31.823 0.006 0.000 1.065 552 V HN 0.463 nan 8.190 nan 0.000 0.423 553 S N 0.980 116.678 115.700 -0.004 0.000 2.510 553 S HA 0.738 5.208 4.470 0.000 0.000 0.279 553 S C 0.282 174.883 174.600 0.001 0.000 1.284 553 S CA 0.074 58.274 58.200 -0.001 0.000 1.059 553 S CB 1.286 64.485 63.200 -0.002 0.000 0.901 553 S HN 1.048 nan 8.310 nan 0.000 0.491 554 A N 2.823 125.646 122.820 0.005 0.000 2.239 554 A HA 0.754 5.074 4.320 0.000 0.000 0.303 554 A C 0.903 178.490 177.584 0.005 0.000 1.114 554 A CA -0.535 51.506 52.037 0.006 0.000 0.871 554 A CB -0.088 18.917 19.000 0.008 0.000 1.201 554 A HN 1.272 nan 8.150 nan 0.000 0.506 555 G N -1.223 107.580 108.800 0.005 0.000 3.717 555 G HA2 0.600 4.560 3.960 0.000 0.000 0.258 555 G HA3 0.600 4.560 3.960 0.000 0.000 0.258 555 G C -0.162 174.741 174.900 0.006 0.000 1.088 555 G CA 0.902 46.004 45.100 0.005 0.000 1.737 555 G HN 1.971 nan 8.290 nan 0.000 0.648 556 I N 0.000 120.574 120.570 0.007 0.000 2.984 556 I HA 0.000 4.170 4.170 0.000 0.000 0.288 556 I CA 0.000 61.305 61.300 0.008 0.000 1.566 556 I CB 0.000 38.005 38.000 0.008 0.000 1.214 556 I HN 0.000 nan 8.210 nan 0.000 0.494