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 2rf2_1_A DATA FIRST_RESID 1 DATA SEQUENCE PISPIETVPV KLKPGMDGPK VKQWPLTEEK IKALVEICTE MEKEGKISKI DATA SEQUENCE GPENPYNTPV FAIKXXXSTK WRKLVDFREL NKRTQDFWEV QLGIPHPAGL DATA SEQUENCE KKKKSVTVLD VGDAYFSVPL DEDFRKYTAF TIPSINNETP GIRYQYNVLP DATA SEQUENCE QGWKGSPAIF QSSMTKILEP FRKQNPDIVI YQYMDDLYVG SDLEIGQHRT DATA SEQUENCE KIEELRQHLL RWGLTTPDKK HQKEPPFLWM GYELHPDKWT VQPIVLPEKD DATA SEQUENCE SWTVNDIQKL VGKLNWASQI YPGIKVRQLC KLLRGTKALT EVIPLTEEAE DATA SEQUENCE LELAENREIL KEPVHGVYYD PSKDLIAEIQ KQGQGQWTYQ IYQEPFKNLK DATA SEQUENCE TGKYARMRGA HTNDVKQLTE AVQKITTESI VIWGKTPKFK LPIQKETWET DATA SEQUENCE WWTEYWQATW IPEWEFVNTP PLVKLWYQLE KEPIVGAETF YVDGAANRET DATA SEQUENCE KLGKAGYVTN RGRQKVVTLT DTTNQKTELQ AIYLALQDSG LEVNIVTDSQ DATA SEQUENCE YALGIIQAQP DQSESELVNQ IIEQLIKKEK VYLAWVPAHK GIGGNEQVDK DATA SEQUENCE LVSAGIR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 P HA 0.000 nan 4.420 nan 0.000 0.216 1 P C 0.000 177.353 177.300 0.088 0.000 1.155 1 P CA 0.000 63.135 63.100 0.058 0.000 0.800 1 P CB 0.000 31.728 31.700 0.047 0.000 0.726 2 I N 0.748 121.367 120.570 0.081 0.000 2.377 2 I HA 0.418 4.588 4.170 -0.000 0.000 0.293 2 I C 0.954 177.135 176.117 0.106 0.000 0.987 2 I CA -0.257 61.107 61.300 0.106 0.000 1.185 2 I CB 1.880 39.932 38.000 0.086 0.000 1.341 2 I HN 0.445 nan 8.210 nan 0.000 0.455 3 S N 7.034 122.822 115.700 0.146 0.000 2.560 3 S HA 0.181 4.650 4.470 -0.000 0.000 0.284 3 S C -1.548 173.148 174.600 0.160 0.000 1.327 3 S CA -0.830 57.476 58.200 0.177 0.000 1.055 3 S CB 0.509 63.846 63.200 0.228 0.000 0.868 3 S HN 0.448 nan 8.310 nan 0.000 0.506 4 P HA 0.139 nan 4.420 nan 0.000 0.253 4 P C 0.104 177.550 177.300 0.244 0.000 1.281 4 P CA -0.022 63.140 63.100 0.104 0.000 0.792 4 P CB -0.717 30.940 31.700 -0.071 0.000 1.193 5 I N -3.124 117.648 120.570 0.336 0.000 2.696 5 I HA 0.203 4.373 4.170 -0.000 0.000 0.284 5 I C 0.785 177.003 176.117 0.170 0.000 1.129 5 I CA -0.585 60.900 61.300 0.308 0.000 1.410 5 I CB 0.296 38.399 38.000 0.171 0.000 1.399 5 I HN -0.216 nan 8.210 nan 0.000 0.579 6 E N 2.749 123.030 120.200 0.135 0.000 2.438 6 E HA 0.049 4.399 4.350 -0.000 0.000 0.261 6 E C -0.378 176.266 176.600 0.074 0.000 1.103 6 E CA 0.157 56.613 56.400 0.093 0.000 0.959 6 E CB 0.810 30.554 29.700 0.073 0.000 0.958 6 E HN 0.739 nan 8.360 nan 0.000 0.447 7 T N 1.036 115.632 114.554 0.070 0.000 2.928 7 T HA 0.302 4.651 4.350 -0.000 0.000 0.284 7 T C -0.705 174.034 174.700 0.065 0.000 1.008 7 T CA -0.651 61.492 62.100 0.071 0.000 1.057 7 T CB 1.025 69.939 68.868 0.078 0.000 1.018 7 T HN 0.141 nan 8.240 nan 0.000 0.493 8 V N 6.872 126.828 119.914 0.070 0.000 2.383 8 V HA 0.341 4.460 4.120 -0.000 0.000 0.275 8 V C -1.869 174.279 176.094 0.090 0.000 1.036 8 V CA -1.790 60.554 62.300 0.075 0.000 0.889 8 V CB 1.212 33.080 31.823 0.076 0.000 0.985 8 V HN 0.752 nan 8.190 nan 0.000 0.459 9 P HA 0.226 nan 4.420 nan 0.000 0.271 9 P C -0.874 176.469 177.300 0.071 0.000 1.220 9 P CA 0.101 63.249 63.100 0.080 0.000 0.768 9 P CB 1.161 32.900 31.700 0.064 0.000 0.848 10 V N 3.870 123.814 119.914 0.049 0.000 2.769 10 V HA 0.541 4.661 4.120 -0.000 0.000 0.312 10 V C 0.257 176.340 176.094 -0.018 0.000 1.061 10 V CA -0.672 61.581 62.300 -0.079 0.000 0.931 10 V CB 2.176 33.784 31.823 -0.358 0.000 1.010 10 V HN 0.458 nan 8.190 nan 0.000 0.433 11 K N 2.500 122.860 120.400 -0.067 0.000 2.477 11 K HA 0.675 4.995 4.320 -0.000 0.000 0.255 11 K C -1.365 175.285 176.600 0.083 0.000 0.952 11 K CA -0.843 55.486 56.287 0.071 0.000 0.826 11 K CB 2.737 35.241 32.500 0.006 0.000 1.331 11 K HN 0.456 nan 8.250 nan 0.000 0.437 12 L N 2.059 123.341 121.223 0.098 0.000 2.418 12 L HA 0.266 4.606 4.340 -0.000 0.000 0.265 12 L C 0.504 177.363 176.870 -0.017 0.000 1.143 12 L CA -0.413 54.435 54.840 0.014 0.000 0.809 12 L CB 0.446 42.418 42.059 -0.146 0.000 1.124 12 L HN 0.413 nan 8.230 nan 0.000 0.456 13 K N 1.876 122.263 120.400 -0.021 0.000 2.469 13 K HA 0.085 4.405 4.320 -0.000 0.000 0.274 13 K C -2.222 174.369 176.600 -0.014 0.000 0.983 13 K CA -1.339 54.931 56.287 -0.028 0.000 0.974 13 K CB -0.017 32.473 32.500 -0.017 0.000 0.913 13 K HN 0.259 nan 8.250 nan 0.000 0.493 14 P HA -0.062 nan 4.420 nan 0.000 0.264 14 P C 0.213 177.518 177.300 0.008 0.000 1.193 14 P CA 0.869 63.968 63.100 -0.001 0.000 0.763 14 P CB 0.452 32.150 31.700 -0.004 0.000 0.810 15 G N 2.151 110.960 108.800 0.015 0.000 2.176 15 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.252 15 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.252 15 G C -0.079 174.837 174.900 0.027 0.000 1.024 15 G CA -0.164 44.950 45.100 0.022 0.000 0.755 15 G HN 0.456 nan 8.290 nan 0.000 0.507 16 M N -0.533 119.082 119.600 0.024 0.000 2.572 16 M HA 0.528 5.008 4.480 -0.000 0.000 0.299 16 M C -0.798 175.519 176.300 0.030 0.000 1.205 16 M CA -0.884 54.432 55.300 0.027 0.000 0.876 16 M CB 2.122 34.731 32.600 0.015 0.000 1.728 16 M HN 0.114 nan 8.290 nan 0.000 0.458 17 D N 0.313 120.750 120.400 0.061 0.000 2.392 17 D HA 0.603 5.243 4.640 -0.000 0.000 0.246 17 D C -0.067 176.273 176.300 0.066 0.000 1.013 17 D CA -0.007 54.062 54.000 0.114 0.000 0.993 17 D CB 1.740 42.669 40.800 0.216 0.000 1.219 17 D HN 0.689 nan 8.370 nan 0.000 0.538 18 G N 0.608 109.428 108.800 0.033 0.000 2.690 18 G HA2 0.279 4.239 3.960 -0.000 0.000 0.239 18 G HA3 0.279 4.239 3.960 -0.000 0.000 0.239 18 G C -2.178 172.841 174.900 0.199 0.000 1.233 18 G CA -0.718 44.307 45.100 -0.124 0.000 0.847 18 G HN 0.443 nan 8.290 nan 0.000 0.588 19 P HA 0.236 nan 4.420 nan 0.000 0.272 19 P C -0.741 176.742 177.300 0.305 0.000 1.223 19 P CA -0.102 63.138 63.100 0.233 0.000 0.784 19 P CB 1.008 32.839 31.700 0.219 0.000 0.923 20 K N 1.064 121.591 120.400 0.210 0.000 3.253 20 K HA 0.254 4.574 4.320 -0.000 0.000 0.174 20 K C -0.509 176.156 176.600 0.108 0.000 1.071 20 K CA -0.494 55.888 56.287 0.158 0.000 0.836 20 K CB 1.098 33.667 32.500 0.116 0.000 0.922 20 K HN 0.265 nan 8.250 nan 0.000 0.565 21 V N 0.836 120.823 119.914 0.122 0.000 2.432 21 V HA 0.316 4.436 4.120 -0.000 0.000 0.275 21 V C -0.117 176.026 176.094 0.082 0.000 1.043 21 V CA -0.556 61.800 62.300 0.093 0.000 0.925 21 V CB 0.626 32.517 31.823 0.115 0.000 0.985 21 V HN 0.457 nan 8.190 nan 0.000 0.466 22 K N 4.302 124.725 120.400 0.038 0.000 2.295 22 K HA 0.365 4.685 4.320 -0.000 0.000 0.270 22 K C -0.164 176.484 176.600 0.080 0.000 1.011 22 K CA -0.357 55.953 56.287 0.038 0.000 0.953 22 K CB 0.803 33.305 32.500 0.003 0.000 0.956 22 K HN 0.720 nan 8.250 nan 0.000 0.477 23 Q N 3.014 122.891 119.800 0.127 0.000 2.288 23 Q HA 0.145 4.485 4.340 -0.000 0.000 0.258 23 Q C -1.376 174.807 176.000 0.305 0.000 0.957 23 Q CA -0.245 55.705 55.803 0.244 0.000 0.919 23 Q CB 0.439 29.259 28.738 0.137 0.000 1.185 23 Q HN 0.543 nan 8.270 nan 0.000 0.408 24 W N 5.358 126.676 121.300 0.031 0.000 2.181 24 W HA 0.340 5.000 4.660 -0.000 0.000 0.335 24 W C -2.101 174.440 176.519 0.038 0.000 1.310 24 W CA -2.669 54.710 57.345 0.057 0.000 1.226 24 W CB -0.932 28.597 29.460 0.115 0.000 1.155 24 W HN 0.532 nan 8.180 nan 0.000 0.565 25 P HA 0.138 nan 4.420 nan 0.000 0.275 25 P C -0.469 176.906 177.300 0.125 0.000 1.227 25 P CA -0.107 63.079 63.100 0.142 0.000 0.781 25 P CB 0.937 32.700 31.700 0.106 0.000 0.906 26 L N 2.154 123.414 121.223 0.061 0.000 2.304 26 L HA 0.459 4.799 4.340 -0.000 0.000 0.268 26 L C 1.200 178.080 176.870 0.016 0.000 1.010 26 L CA -0.545 54.312 54.840 0.027 0.000 0.813 26 L CB 0.724 42.768 42.059 -0.026 0.000 1.315 26 L HN 0.412 nan 8.230 nan 0.000 0.445 27 T N -2.784 111.776 114.554 0.011 0.000 2.802 27 T HA 0.130 4.480 4.350 -0.000 0.000 0.305 27 T C 1.009 175.692 174.700 -0.028 0.000 1.053 27 T CA -0.368 61.739 62.100 0.010 0.000 1.058 27 T CB 0.662 69.553 68.868 0.037 0.000 0.988 27 T HN 0.564 nan 8.240 nan 0.000 0.539 28 E N 0.710 120.899 120.200 -0.018 0.000 2.077 28 E HA -0.185 4.165 4.350 -0.000 0.000 0.193 28 E C 2.245 178.798 176.600 -0.078 0.000 0.989 28 E CA 1.583 57.961 56.400 -0.037 0.000 0.800 28 E CB -0.042 29.649 29.700 -0.014 0.000 0.746 28 E HN 0.938 nan 8.360 nan 0.000 0.452 29 E N 1.044 121.207 120.200 -0.062 0.000 2.153 29 E HA -0.194 4.156 4.350 -0.000 0.000 0.194 29 E C 1.836 178.191 176.600 -0.407 0.000 0.988 29 E CA 0.944 57.281 56.400 -0.106 0.000 0.811 29 E CB -0.133 29.620 29.700 0.088 0.000 0.746 29 E HN 0.077 nan 8.360 nan 0.000 0.466 30 K N 0.658 120.822 120.400 -0.394 0.000 2.062 30 K HA -0.005 4.315 4.320 -0.000 0.000 0.205 30 K C 2.269 178.629 176.600 -0.399 0.000 1.051 30 K CA 1.194 57.140 56.287 -0.568 0.000 0.941 30 K CB -0.078 32.262 32.500 -0.265 0.000 0.719 30 K HN 0.200 nan 8.250 nan 0.000 0.440 31 I N 1.339 121.771 120.570 -0.229 0.000 2.226 31 I HA -0.297 3.873 4.170 -0.000 0.000 0.245 31 I C 2.592 178.607 176.117 -0.169 0.000 1.100 31 I CA 1.274 62.484 61.300 -0.150 0.000 1.374 31 I CB -0.358 37.590 38.000 -0.087 0.000 1.057 31 I HN 0.198 nan 8.210 nan 0.000 0.413 32 K N 1.557 121.839 120.400 -0.196 0.000 2.002 32 K HA -0.188 4.132 4.320 -0.000 0.000 0.209 32 K C 2.292 178.749 176.600 -0.238 0.000 1.048 32 K CA 1.621 57.804 56.287 -0.173 0.000 0.930 32 K CB -0.151 32.265 32.500 -0.140 0.000 0.714 32 K HN 0.254 nan 8.250 nan 0.000 0.438 33 A N 1.475 124.020 122.820 -0.458 0.000 1.917 33 A HA -0.172 4.148 4.320 -0.000 0.000 0.219 33 A C 2.144 179.557 177.584 -0.285 0.000 1.182 33 A CA 1.497 53.207 52.037 -0.546 0.000 0.633 33 A CB -0.659 17.503 19.000 -1.397 0.000 0.819 33 A HN 0.366 nan 8.150 nan 0.000 0.448 34 L N -0.885 120.182 121.223 -0.260 0.000 2.109 34 L HA -0.116 4.224 4.340 -0.000 0.000 0.207 34 L C 2.512 179.344 176.870 -0.064 0.000 1.086 34 L CA 0.809 55.573 54.840 -0.126 0.000 0.760 34 L CB -0.443 41.557 42.059 -0.097 0.000 0.910 34 L HN 0.264 nan 8.230 nan 0.000 0.437 35 V N 0.126 120.002 119.914 -0.063 0.000 2.358 35 V HA -0.254 3.866 4.120 -0.000 0.000 0.246 35 V C 2.336 178.417 176.094 -0.021 0.000 1.047 35 V CA 1.719 64.012 62.300 -0.012 0.000 1.035 35 V CB -0.357 31.459 31.823 -0.012 0.000 0.658 35 V HN 0.480 nan 8.190 nan 0.000 0.452 36 E N -0.042 120.132 120.200 -0.043 0.000 2.051 36 E HA -0.216 4.134 4.350 -0.000 0.000 0.192 36 E C 2.182 178.766 176.600 -0.026 0.000 0.991 36 E CA 1.601 57.985 56.400 -0.026 0.000 0.799 36 E CB -0.246 29.442 29.700 -0.021 0.000 0.748 36 E HN 0.531 nan 8.360 nan 0.000 0.449 37 I N 1.010 121.560 120.570 -0.034 0.000 2.127 37 I HA -0.350 3.820 4.170 -0.000 0.000 0.241 37 I C 2.518 178.591 176.117 -0.073 0.000 1.075 37 I CA 1.004 62.288 61.300 -0.027 0.000 1.334 37 I CB -0.289 37.704 38.000 -0.011 0.000 1.040 37 I HN 0.258 nan 8.210 nan 0.000 0.405 38 C N 0.155 119.379 119.300 -0.126 0.000 2.432 38 C HA -0.173 4.287 4.460 -0.000 0.000 0.277 38 C C 3.186 178.026 174.990 -0.249 0.000 1.249 38 C CA 1.572 60.409 59.018 -0.302 0.000 1.725 38 C CB -1.484 25.946 27.740 -0.517 0.000 2.028 38 C HN 0.646 nan 8.230 nan 0.000 0.477 39 T N 0.193 114.694 114.554 -0.089 0.000 2.720 39 T HA -0.266 4.083 4.350 -0.000 0.000 0.268 39 T C 1.569 176.248 174.700 -0.035 0.000 1.037 39 T CA 2.261 64.351 62.100 -0.017 0.000 1.144 39 T CB -0.414 68.465 68.868 0.018 0.000 0.864 39 T HN 0.518 nan 8.240 nan 0.000 0.444 40 E N 1.046 121.223 120.200 -0.039 0.000 2.077 40 E HA -0.015 4.335 4.350 -0.000 0.000 0.193 40 E C 2.252 178.828 176.600 -0.041 0.000 0.989 40 E CA 1.364 57.750 56.400 -0.024 0.000 0.800 40 E CB -0.564 29.133 29.700 -0.006 0.000 0.746 40 E HN 0.653 nan 8.360 nan 0.000 0.452 41 M N -0.033 119.517 119.600 -0.084 0.000 2.229 41 M HA -0.102 4.378 4.480 -0.000 0.000 0.264 41 M C 2.222 178.443 176.300 -0.132 0.000 1.063 41 M CA 1.250 56.481 55.300 -0.116 0.000 1.114 41 M CB -0.120 32.369 32.600 -0.185 0.000 1.387 41 M HN 0.128 nan 8.290 nan 0.000 0.420 42 E N 0.605 120.727 120.200 -0.131 0.000 2.112 42 E HA -0.120 4.230 4.350 -0.000 0.000 0.190 42 E C 1.371 177.957 176.600 -0.024 0.000 0.979 42 E CA 0.805 57.167 56.400 -0.063 0.000 0.814 42 E CB 0.163 29.878 29.700 0.025 0.000 0.762 42 E HN 0.360 nan 8.360 nan 0.000 0.460 43 K N 0.555 120.943 120.400 -0.020 0.000 2.611 43 K HA -0.059 4.261 4.320 -0.000 0.000 0.193 43 K C 0.380 176.975 176.600 -0.009 0.000 1.026 43 K CA 0.501 56.784 56.287 -0.008 0.000 1.063 43 K CB 0.157 32.655 32.500 -0.003 0.000 0.839 43 K HN 0.181 nan 8.250 nan 0.000 0.505 44 E N -1.560 118.629 120.200 -0.018 0.000 2.715 44 E HA 0.110 4.460 4.350 -0.000 0.000 0.224 44 E C 0.673 177.265 176.600 -0.014 0.000 0.962 44 E CA 0.211 56.606 56.400 -0.008 0.000 1.145 44 E CB 1.224 30.926 29.700 0.003 0.000 1.083 44 E HN 0.289 nan 8.360 nan 0.000 0.506 45 G N 2.279 111.064 108.800 -0.026 0.000 2.234 45 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.260 45 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.260 45 G C 1.235 176.103 174.900 -0.053 0.000 0.987 45 G CA 0.843 45.928 45.100 -0.025 0.000 0.625 45 G HN 0.082 nan 8.290 nan 0.000 0.532 46 K N 0.306 120.648 120.400 -0.097 0.000 2.103 46 K HA 0.026 4.346 4.320 -0.000 0.000 0.207 46 K C 1.672 178.127 176.600 -0.242 0.000 1.048 46 K CA 1.884 58.053 56.287 -0.196 0.000 0.930 46 K CB -0.419 31.887 32.500 -0.323 0.000 0.716 46 K HN 0.987 nan 8.250 nan 0.000 0.444 47 I N -3.964 116.466 120.570 -0.233 0.000 3.145 47 I HA 0.463 4.632 4.170 -0.000 0.000 0.313 47 I C -0.754 175.326 176.117 -0.061 0.000 1.122 47 I CA -0.948 60.210 61.300 -0.236 0.000 0.987 47 I CB 2.600 40.354 38.000 -0.411 0.000 1.236 47 I HN -0.327 nan 8.210 nan 0.000 0.453 48 S N 1.021 116.737 115.700 0.027 0.000 2.549 48 S HA 0.475 4.945 4.470 -0.000 0.000 0.280 48 S C -1.124 173.522 174.600 0.078 0.000 1.109 48 S CA -0.996 57.246 58.200 0.071 0.000 0.905 48 S CB 1.911 65.114 63.200 0.005 0.000 1.081 48 S HN 0.618 nan 8.310 nan 0.000 0.477 49 K N 2.361 122.740 120.400 -0.036 0.000 2.270 49 K HA 0.632 4.952 4.320 -0.000 0.000 0.276 49 K C -0.123 176.339 176.600 -0.230 0.000 1.023 49 K CA -0.380 55.709 56.287 -0.330 0.000 0.955 49 K CB 0.209 32.428 32.500 -0.470 0.000 0.975 49 K HN 0.597 nan 8.250 nan 0.000 0.471 50 I N -2.503 117.902 120.570 -0.275 0.000 3.322 50 I HA 0.667 4.837 4.170 -0.000 0.000 0.313 50 I C 0.059 176.058 176.117 -0.197 0.000 1.129 50 I CA -1.205 59.982 61.300 -0.188 0.000 0.963 50 I CB 1.810 39.722 38.000 -0.147 0.000 1.273 50 I HN 0.587 nan 8.210 nan 0.000 0.473 51 G N -0.234 108.477 108.800 -0.148 0.000 2.828 51 G HA2 0.642 4.601 3.960 -0.000 0.000 0.244 51 G HA3 0.642 4.601 3.960 -0.000 0.000 0.244 51 G C -2.351 172.474 174.900 -0.124 0.000 1.365 51 G CA -1.165 43.854 45.100 -0.136 0.000 1.041 51 G HN 0.529 nan 8.290 nan 0.000 0.560 52 P HA 0.098 nan 4.420 nan 0.000 0.255 52 P C 1.224 178.465 177.300 -0.098 0.000 1.248 52 P CA 0.376 63.418 63.100 -0.098 0.000 0.807 52 P CB 0.494 32.144 31.700 -0.083 0.000 1.150 53 E N -0.065 120.076 120.200 -0.098 0.000 2.076 53 E HA -0.104 4.246 4.350 -0.000 0.000 0.190 53 E C 0.699 177.225 176.600 -0.123 0.000 0.979 53 E CA 0.624 56.966 56.400 -0.098 0.000 0.807 53 E CB -1.249 28.402 29.700 -0.082 0.000 0.761 53 E HN 0.131 nan 8.360 nan 0.000 0.454 54 N N 2.709 121.334 118.700 -0.124 0.000 2.483 54 N HA 0.005 4.745 4.740 -0.000 0.000 0.264 54 N C -1.815 173.562 175.510 -0.223 0.000 1.197 54 N CA -1.247 51.715 53.050 -0.147 0.000 0.927 54 N CB 1.382 39.818 38.487 -0.084 0.000 1.065 54 N HN -0.057 nan 8.380 nan 0.000 0.461 55 P HA 0.150 nan 4.420 nan 0.000 0.275 55 P C -0.721 176.295 177.300 -0.473 0.000 1.310 55 P CA 0.119 62.942 63.100 -0.462 0.000 0.904 55 P CB 0.086 31.474 31.700 -0.520 0.000 1.381 56 Y N 0.423 120.714 120.300 -0.016 0.000 2.326 56 Y HA 0.531 5.081 4.550 0.000 0.000 0.324 56 Y C 1.116 177.043 175.900 0.045 0.000 1.291 56 Y CA -0.421 57.699 58.100 0.032 0.000 1.348 56 Y CB 0.623 39.116 38.460 0.054 0.000 1.294 56 Y HN -0.140 nan 8.280 nan 0.000 0.525 57 N N -0.760 118.092 118.700 0.253 0.000 2.504 57 N HA 0.323 5.063 4.740 -0.000 0.000 0.268 57 N C -2.009 173.621 175.510 0.200 0.000 1.184 57 N CA -0.339 52.823 53.050 0.187 0.000 0.875 57 N CB 2.121 40.676 38.487 0.113 0.000 1.630 57 N HN 0.662 nan 8.380 nan 0.000 0.486 58 T N 2.632 117.301 114.554 0.191 0.000 2.881 58 T HA 0.475 4.825 4.350 -0.000 0.000 0.290 58 T C -2.752 171.979 174.700 0.052 0.000 1.000 58 T CA -0.875 61.306 62.100 0.135 0.000 0.978 58 T CB 2.095 71.025 68.868 0.104 0.000 0.997 58 T HN 0.329 nan 8.240 nan 0.000 0.443 59 P HA 0.222 nan 4.420 nan 0.000 0.267 59 P C -0.762 176.176 177.300 -0.603 0.000 1.200 59 P CA -0.397 62.620 63.100 -0.137 0.000 0.772 59 P CB 0.387 32.206 31.700 0.198 0.000 0.855 60 V N -0.105 119.316 119.914 -0.821 0.000 2.735 60 V HA 0.769 4.889 4.120 -0.000 0.000 0.310 60 V C -0.841 174.532 176.094 -1.202 0.000 1.061 60 V CA -0.786 61.007 62.300 -0.846 0.000 0.913 60 V CB 1.473 33.105 31.823 -0.319 0.000 1.005 60 V HN 0.294 nan 8.190 nan 0.000 0.428 61 F N 1.201 121.031 119.950 -0.201 0.000 2.664 61 F HA 0.987 5.514 4.527 -0.000 0.000 0.329 61 F C 0.240 175.970 175.800 -0.117 0.000 1.090 61 F CA -0.694 57.173 58.000 -0.223 0.000 0.978 61 F CB 2.045 40.872 39.000 -0.288 0.000 1.378 61 F HN 0.886 nan 8.300 nan 0.000 0.495 62 A N 1.528 124.433 122.820 0.141 0.000 2.381 62 A HA 0.810 5.130 4.320 -0.000 0.000 0.299 62 A C -1.607 176.209 177.584 0.387 0.000 1.049 62 A CA -0.501 51.638 52.037 0.171 0.000 0.715 62 A CB 1.263 20.222 19.000 -0.069 0.000 1.222 62 A HN 0.832 nan 8.150 nan 0.000 0.428 63 I N 1.317 122.129 120.570 0.404 0.000 2.934 63 I HA 0.473 4.643 4.170 -0.000 0.000 0.306 63 I C -0.416 175.750 176.117 0.082 0.000 1.110 63 I CA -0.882 60.575 61.300 0.261 0.000 1.019 63 I CB 1.912 39.960 38.000 0.080 0.000 1.227 63 I HN 0.576 nan 8.210 nan 0.000 0.434 69 T N 3.588 118.070 114.554 -0.120 0.000 3.378 69 T HA 0.468 4.818 4.350 -0.000 0.000 0.359 69 T C -0.742 173.866 174.700 -0.153 0.000 1.815 69 T CA -0.369 61.630 62.100 -0.169 0.000 1.509 69 T CB 0.185 68.966 68.868 -0.144 0.000 1.049 69 T HN 0.434 nan 8.240 nan 0.000 0.705 70 K N -0.252 120.039 120.400 -0.181 0.000 2.527 70 K HA 0.638 4.958 4.320 -0.000 0.000 0.260 70 K C -1.623 174.907 176.600 -0.118 0.000 0.937 70 K CA -1.019 55.217 56.287 -0.085 0.000 0.826 70 K CB 1.308 33.797 32.500 -0.018 0.000 1.359 70 K HN 0.136 nan 8.250 nan 0.000 0.434 71 W N 1.674 122.972 121.300 -0.004 0.000 2.381 71 W HA 0.531 5.191 4.660 -0.000 0.000 0.329 71 W C 0.232 176.749 176.519 -0.004 0.000 1.157 71 W CA -0.429 56.913 57.345 -0.004 0.000 1.240 71 W CB 1.535 30.994 29.460 -0.002 0.000 1.199 71 W HN 0.324 nan 8.180 nan 0.000 0.579 72 R N 1.986 122.670 120.500 0.308 0.000 2.686 72 R HA 0.305 4.645 4.340 -0.000 0.000 0.286 72 R C -0.750 175.650 176.300 0.165 0.000 0.969 72 R CA -1.216 54.988 56.100 0.172 0.000 0.898 72 R CB 2.130 32.487 30.300 0.096 0.000 1.183 72 R HN 0.374 nan 8.270 nan 0.000 0.456 73 K N 3.604 124.065 120.400 0.101 0.000 2.201 73 K HA 0.336 4.655 4.320 -0.000 0.000 0.278 73 K C -1.086 175.546 176.600 0.052 0.000 1.027 73 K CA -0.342 55.975 56.287 0.051 0.000 0.909 73 K CB 0.817 33.316 32.500 -0.003 0.000 1.062 73 K HN 0.432 nan 8.250 nan 0.000 0.465 74 L N 5.638 126.895 121.223 0.057 0.000 2.342 74 L HA 0.355 4.695 4.340 -0.000 0.000 0.276 74 L C -1.238 175.667 176.870 0.058 0.000 0.997 74 L CA -1.055 53.851 54.840 0.109 0.000 0.838 74 L CB 1.853 44.031 42.059 0.197 0.000 1.224 74 L HN 0.466 nan 8.230 nan 0.000 0.416 75 V N 2.431 122.296 119.914 -0.081 0.000 2.394 75 V HA 0.202 4.322 4.120 -0.000 0.000 0.282 75 V C -0.185 175.768 176.094 -0.235 0.000 1.031 75 V CA -0.633 61.453 62.300 -0.356 0.000 0.881 75 V CB 1.670 33.077 31.823 -0.693 0.000 0.982 75 V HN 0.597 nan 8.190 nan 0.000 0.451 76 D N 3.649 124.002 120.400 -0.078 0.000 2.468 76 D HA 0.262 4.901 4.640 -0.000 0.000 0.218 76 D C 0.293 176.628 176.300 0.059 0.000 1.155 76 D CA -0.349 53.752 54.000 0.169 0.000 0.924 76 D CB 0.310 41.435 40.800 0.542 0.000 1.029 76 D HN 0.368 nan 8.370 nan 0.000 0.515 77 F N 2.006 122.080 119.950 0.206 0.000 2.804 77 F HA 0.213 4.740 4.527 -0.000 0.000 0.303 77 F C 2.170 178.094 175.800 0.207 0.000 1.154 77 F CA -0.149 57.977 58.000 0.211 0.000 1.401 77 F CB -0.076 39.071 39.000 0.244 0.000 1.106 77 F HN 0.268 nan 8.300 nan 0.000 0.568 78 R N 0.352 121.046 120.500 0.323 0.000 2.159 78 R HA -0.291 4.049 4.340 -0.000 0.000 0.249 78 R C 2.089 178.524 176.300 0.226 0.000 1.136 78 R CA 2.234 58.477 56.100 0.238 0.000 0.951 78 R CB -0.465 29.950 30.300 0.191 0.000 0.876 78 R HN 0.207 nan 8.270 nan 0.000 0.440 79 E N 0.706 121.045 120.200 0.231 0.000 2.072 79 E HA -0.154 4.196 4.350 -0.000 0.000 0.191 79 E C 1.797 178.533 176.600 0.226 0.000 0.985 79 E CA 0.844 57.364 56.400 0.201 0.000 0.801 79 E CB -0.215 29.595 29.700 0.184 0.000 0.750 79 E HN 0.171 nan 8.360 nan 0.000 0.452 80 L N 0.834 122.244 121.223 0.310 0.000 2.083 80 L HA -0.114 4.226 4.340 -0.000 0.000 0.209 80 L C 1.510 178.578 176.870 0.330 0.000 1.083 80 L CA 1.734 56.765 54.840 0.319 0.000 0.752 80 L CB -0.733 41.581 42.059 0.424 0.000 0.899 80 L HN 0.092 nan 8.230 nan 0.000 0.433 81 N N 0.663 119.563 118.700 0.333 0.000 2.120 81 N HA -0.241 4.499 4.740 -0.000 0.000 0.188 81 N C 1.735 177.337 175.510 0.153 0.000 1.024 81 N CA 1.729 54.921 53.050 0.237 0.000 0.852 81 N CB -0.393 38.209 38.487 0.191 0.000 1.003 81 N HN 0.593 nan 8.380 nan 0.000 0.424 82 K N 0.964 121.449 120.400 0.142 0.000 2.283 82 K HA -0.007 4.313 4.320 -0.000 0.000 0.202 82 K C 1.389 178.038 176.600 0.082 0.000 1.048 82 K CA 1.013 57.358 56.287 0.096 0.000 0.948 82 K CB 0.073 32.627 32.500 0.089 0.000 0.742 82 K HN 0.051 nan 8.250 nan 0.000 0.458 83 R N 0.448 121.010 120.500 0.104 0.000 2.312 83 R HA 0.125 4.465 4.340 -0.000 0.000 0.205 83 R C -0.104 176.242 176.300 0.077 0.000 0.904 83 R CA 0.089 56.231 56.100 0.069 0.000 1.052 83 R CB 0.712 31.041 30.300 0.049 0.000 1.014 83 R HN 0.063 nan 8.270 nan 0.000 0.503 84 T N 2.057 116.694 114.554 0.138 0.000 2.889 84 T HA 0.078 4.427 4.350 -0.000 0.000 0.291 84 T C 0.022 174.706 174.700 -0.027 0.000 0.995 84 T CA -0.562 61.632 62.100 0.156 0.000 1.092 84 T CB 1.355 70.421 68.868 0.331 0.000 0.954 84 T HN 0.220 nan 8.240 nan 0.000 0.506 85 Q N 2.112 121.818 119.800 -0.157 0.000 2.540 85 Q HA 0.136 4.476 4.340 -0.000 0.000 0.256 85 Q C -0.746 174.971 176.000 -0.471 0.000 1.084 85 Q CA -0.336 55.281 55.803 -0.311 0.000 0.956 85 Q CB 0.400 28.887 28.738 -0.418 0.000 1.303 85 Q HN 0.402 nan 8.270 nan 0.000 0.509 86 D N 0.514 120.701 120.400 -0.355 0.000 2.313 86 D HA 0.328 4.968 4.640 -0.000 0.000 0.247 86 D C -0.772 175.258 176.300 -0.450 0.000 1.094 86 D CA 0.023 53.869 54.000 -0.257 0.000 0.925 86 D CB 0.518 41.255 40.800 -0.105 0.000 1.188 86 D HN 0.374 nan 8.370 nan 0.000 0.430 87 F N -0.464 119.443 119.950 -0.071 0.000 2.631 87 F HA 0.333 4.861 4.527 0.000 0.000 0.350 87 F C 0.401 176.248 175.800 0.077 0.000 1.080 87 F CA -1.161 56.824 58.000 -0.026 0.000 1.026 87 F CB 0.870 39.803 39.000 -0.111 0.000 1.347 87 F HN 0.244 nan 8.300 nan 0.000 0.501 88 W N 1.930 123.314 121.300 0.140 0.000 2.190 88 W HA 0.149 4.809 4.660 -0.001 0.000 0.330 88 W C -0.145 176.403 176.519 0.047 0.000 1.299 88 W CA -0.601 56.780 57.345 0.060 0.000 1.215 88 W CB 0.798 30.283 29.460 0.041 0.000 1.147 88 W HN 0.357 nan 8.180 nan 0.000 0.563 89 E N 2.567 122.106 120.200 -1.101 0.000 2.452 89 E HA -0.066 4.284 4.350 -0.000 0.000 0.261 89 E C 1.087 177.339 176.600 -0.581 0.000 0.987 89 E CA 0.099 56.021 56.400 -0.797 0.000 0.926 89 E CB 1.175 30.360 29.700 -0.858 0.000 0.934 89 E HN 0.383 nan 8.360 nan 0.000 0.452 90 V N 3.081 122.819 119.914 -0.293 0.000 2.214 90 V HA -0.223 3.897 4.120 -0.000 0.000 0.245 90 V C 1.072 177.099 176.094 -0.111 0.000 1.047 90 V CA 1.632 63.837 62.300 -0.158 0.000 0.998 90 V CB -0.405 31.352 31.823 -0.109 0.000 0.633 90 V HN 0.555 nan 8.190 nan 0.000 0.446 91 Q N -0.575 119.171 119.800 -0.091 0.000 2.337 91 Q HA 0.375 4.715 4.340 -0.000 0.000 0.266 91 Q C -0.022 175.947 176.000 -0.051 0.000 1.023 91 Q CA -0.706 55.089 55.803 -0.013 0.000 0.829 91 Q CB 1.951 30.743 28.738 0.089 0.000 1.306 91 Q HN 0.157 nan 8.270 nan 0.000 0.449 92 L N 1.097 122.314 121.223 -0.011 0.000 2.492 92 L HA 0.295 4.635 4.340 -0.000 0.000 0.223 92 L C 0.762 177.644 176.870 0.019 0.000 1.132 92 L CA 0.913 55.743 54.840 -0.017 0.000 0.850 92 L CB -0.519 41.569 42.059 0.047 0.000 0.966 92 L HN 0.753 nan 8.230 nan 0.000 0.454 93 G N -0.611 108.220 108.800 0.053 0.000 2.368 93 G HA2 0.421 4.381 3.960 -0.000 0.000 0.293 93 G HA3 0.421 4.381 3.960 -0.000 0.000 0.293 93 G C -1.691 173.278 174.900 0.114 0.000 1.467 93 G CA -0.425 44.714 45.100 0.064 0.000 0.804 93 G HN -0.014 nan 8.290 nan 0.000 0.535 94 I N -0.735 119.905 120.570 0.115 0.000 2.562 94 I HA 0.826 4.996 4.170 -0.000 0.000 0.301 94 I C -2.362 173.817 176.117 0.103 0.000 1.003 94 I CA -2.381 59.023 61.300 0.174 0.000 1.127 94 I CB 1.716 39.830 38.000 0.191 0.000 1.304 94 I HN 0.295 nan 8.210 nan 0.000 0.446 95 P HA 0.109 nan 4.420 nan 0.000 0.269 95 P C -1.062 176.180 177.300 -0.096 0.000 1.209 95 P CA 0.151 63.208 63.100 -0.072 0.000 0.776 95 P CB 0.253 31.782 31.700 -0.284 0.000 0.876 96 H N 3.585 122.495 119.070 -0.267 0.000 2.580 96 H HA 0.130 4.686 4.556 -0.001 0.000 0.322 96 H C -1.629 173.352 175.328 -0.579 0.000 1.082 96 H CA -1.855 53.942 56.048 -0.419 0.000 1.383 96 H CB 1.161 30.650 29.762 -0.455 0.000 1.450 96 H HN 0.201 nan 8.280 nan 0.000 0.505 97 P HA -0.146 nan 4.420 nan 0.000 0.216 97 P C 1.132 178.076 177.300 -0.592 0.000 1.150 97 P CA 1.894 64.415 63.100 -0.964 0.000 0.843 97 P CB 0.028 30.689 31.700 -1.732 0.000 0.787 98 A N -0.418 122.148 122.820 -0.424 0.000 2.076 98 A HA -0.088 4.232 4.320 -0.000 0.000 0.220 98 A C 2.295 180.034 177.584 0.259 0.000 1.160 98 A CA 1.947 54.057 52.037 0.122 0.000 0.653 98 A CB -1.599 17.535 19.000 0.224 0.000 0.801 98 A HN 0.332 nan 8.150 nan 0.000 0.455 99 G N -1.184 107.566 108.800 -0.084 0.000 2.838 99 G HA2 0.359 4.318 3.960 -0.000 0.000 0.210 99 G HA3 0.359 4.318 3.960 -0.000 0.000 0.210 99 G C 0.586 175.525 174.900 0.065 0.000 1.153 99 G CA -0.275 44.721 45.100 -0.173 0.000 0.778 99 G HN 0.395 nan 8.290 nan 0.000 0.539 100 L N 0.188 121.432 121.223 0.034 0.000 2.466 100 L HA 0.409 4.749 4.340 -0.000 0.000 0.257 100 L C 0.131 177.011 176.870 0.016 0.000 1.189 100 L CA -0.664 54.128 54.840 -0.080 0.000 0.813 100 L CB 0.691 42.548 42.059 -0.336 0.000 1.118 100 L HN -0.142 nan 8.230 nan 0.000 0.471 101 K N 1.159 121.492 120.400 -0.111 0.000 2.098 101 K HA 0.286 4.605 4.320 -0.000 0.000 0.258 101 K C -0.390 176.055 176.600 -0.258 0.000 0.973 101 K CA -0.645 55.607 56.287 -0.058 0.000 0.898 101 K CB 0.964 33.446 32.500 -0.031 0.000 1.057 101 K HN 0.261 nan 8.250 nan 0.000 0.447 102 K N 1.890 122.253 120.400 -0.061 0.000 2.382 102 K HA 0.063 4.383 4.320 -0.000 0.000 0.275 102 K C -0.695 175.868 176.600 -0.062 0.000 1.009 102 K CA 0.278 56.560 56.287 -0.007 0.000 0.970 102 K CB 0.440 33.040 32.500 0.167 0.000 0.934 102 K HN 0.329 nan 8.250 nan 0.000 0.479 103 K N 2.612 122.981 120.400 -0.051 0.000 2.426 103 K HA 0.187 4.507 4.320 -0.000 0.000 0.251 103 K C 0.201 176.792 176.600 -0.015 0.000 0.941 103 K CA -0.556 55.702 56.287 -0.048 0.000 0.808 103 K CB 1.830 34.282 32.500 -0.079 0.000 1.265 103 K HN 0.433 nan 8.250 nan 0.000 0.432 104 K N -0.065 120.311 120.400 -0.040 0.000 2.007 104 K HA 0.157 4.477 4.320 -0.000 0.000 0.206 104 K C -0.321 176.235 176.600 -0.073 0.000 1.047 104 K CA 1.063 57.327 56.287 -0.038 0.000 0.937 104 K CB 0.251 32.725 32.500 -0.044 0.000 0.718 104 K HN 0.507 nan 8.250 nan 0.000 0.438 105 S N -0.436 115.147 115.700 -0.195 0.000 2.526 105 S HA 0.519 4.989 4.470 -0.000 0.000 0.293 105 S C -1.642 172.734 174.600 -0.373 0.000 1.092 105 S CA -0.920 57.080 58.200 -0.333 0.000 0.980 105 S CB 2.469 65.273 63.200 -0.659 0.000 1.048 105 S HN 0.039 nan 8.310 nan 0.000 0.483 106 V N 2.300 122.182 119.914 -0.052 0.000 2.851 106 V HA 0.861 4.981 4.120 -0.000 0.000 0.307 106 V C -0.734 175.614 176.094 0.422 0.000 1.129 106 V CA -0.028 62.383 62.300 0.185 0.000 0.932 106 V CB 1.981 33.939 31.823 0.226 0.000 1.024 106 V HN 0.999 nan 8.190 nan 0.000 0.426 107 T N 4.697 119.451 114.554 0.334 0.000 2.906 107 T HA 0.782 5.132 4.350 -0.000 0.000 0.295 107 T C -1.017 173.562 174.700 -0.202 0.000 1.075 107 T CA 0.026 62.241 62.100 0.192 0.000 1.005 107 T CB 1.715 70.693 68.868 0.183 0.000 1.136 107 T HN 1.856 nan 8.240 nan 0.000 0.498 108 V N 2.478 122.164 119.914 -0.380 0.000 2.487 108 V HA 0.737 4.857 4.120 -0.000 0.000 0.298 108 V C -0.839 175.076 176.094 -0.299 0.000 1.028 108 V CA -0.951 60.983 62.300 -0.611 0.000 0.860 108 V CB 1.059 32.263 31.823 -1.032 0.000 0.991 108 V HN 0.877 nan 8.190 nan 0.000 0.427 109 L N 4.609 125.675 121.223 -0.261 0.000 2.287 109 L HA 0.597 4.937 4.340 -0.000 0.000 0.287 109 L C -0.442 176.349 176.870 -0.131 0.000 1.022 109 L CA -0.553 54.201 54.840 -0.142 0.000 0.814 109 L CB 1.676 43.670 42.059 -0.108 0.000 1.217 109 L HN 0.953 nan 8.230 nan 0.000 0.420 110 D N 2.289 122.638 120.400 -0.086 0.000 2.232 110 D HA 0.343 4.983 4.640 -0.000 0.000 0.242 110 D C -0.390 175.887 176.300 -0.039 0.000 1.093 110 D CA -0.588 53.374 54.000 -0.063 0.000 0.845 110 D CB 1.715 42.487 40.800 -0.047 0.000 1.124 110 D HN 0.047 nan 8.370 nan 0.000 0.467 111 V N 2.722 122.622 119.914 -0.022 0.000 2.470 111 V HA 0.413 4.533 4.120 -0.000 0.000 0.276 111 V C 1.274 177.347 176.094 -0.035 0.000 1.040 111 V CA -0.381 61.925 62.300 0.010 0.000 1.008 111 V CB 0.897 32.789 31.823 0.115 0.000 0.990 111 V HN 0.774 nan 8.190 nan 0.000 0.477 112 G N 3.025 111.815 108.800 -0.016 0.000 2.378 112 G HA2 0.326 4.285 3.960 -0.000 0.000 0.255 112 G HA3 0.326 4.285 3.960 -0.000 0.000 0.255 112 G C 0.176 175.060 174.900 -0.026 0.000 1.270 112 G CA -0.247 44.834 45.100 -0.032 0.000 0.876 112 G HN 0.883 nan 8.290 nan 0.000 0.521 113 D N 0.925 121.280 120.400 -0.075 0.000 2.737 113 D HA -0.290 4.350 4.640 -0.000 0.000 0.233 113 D C 1.809 178.068 176.300 -0.070 0.000 1.155 113 D CA 1.046 55.000 54.000 -0.077 0.000 0.667 113 D CB -1.138 39.690 40.800 0.046 0.000 1.060 113 D HN 0.765 nan 8.370 nan 0.000 0.427 114 A N -0.024 122.673 122.820 -0.204 0.000 1.906 114 A HA -0.360 3.960 4.320 -0.000 0.000 0.236 114 A C 1.911 179.442 177.584 -0.088 0.000 1.793 114 A CA 2.362 54.200 52.037 -0.331 0.000 0.813 114 A CB -1.428 17.046 19.000 -0.876 0.000 0.841 114 A HN 0.603 nan 8.150 nan 0.000 0.491 115 Y N -2.368 117.751 120.300 -0.302 0.000 2.128 115 Y HA -0.224 4.326 4.550 -0.000 0.000 0.284 115 Y C 2.286 178.389 175.900 0.340 0.000 1.154 115 Y CA 0.779 58.878 58.100 -0.001 0.000 1.149 115 Y CB -0.357 38.080 38.460 -0.038 0.000 0.976 115 Y HN 0.380 nan 8.280 nan 0.000 0.505 116 F N -0.323 119.752 119.950 0.208 0.000 2.664 116 F HA -0.122 4.405 4.527 0.000 0.000 0.297 116 F C 1.912 177.804 175.800 0.153 0.000 1.164 116 F CA 0.534 58.638 58.000 0.174 0.000 1.472 116 F CB -0.873 38.208 39.000 0.135 0.000 1.108 116 F HN -0.088 nan 8.300 nan 0.000 0.596 117 S N -1.019 114.893 115.700 0.353 0.000 2.539 117 S HA 0.151 4.621 4.470 -0.000 0.000 0.221 117 S C 0.414 175.170 174.600 0.259 0.000 0.987 117 S CA -0.082 58.277 58.200 0.265 0.000 0.929 117 S CB 0.613 63.958 63.200 0.242 0.000 0.832 117 S HN 0.039 nan 8.310 nan 0.000 0.492 118 V N 3.288 123.381 119.914 0.298 0.000 2.448 118 V HA 0.610 4.730 4.120 -0.000 0.000 0.295 118 V C -2.963 173.244 176.094 0.190 0.000 1.025 118 V CA -2.673 59.771 62.300 0.240 0.000 0.859 118 V CB 1.957 33.935 31.823 0.257 0.000 0.988 118 V HN -0.075 nan 8.190 nan 0.000 0.431 119 P HA 0.224 nan 4.420 nan 0.000 0.272 119 P C -0.888 176.475 177.300 0.105 0.000 1.223 119 P CA -0.286 62.883 63.100 0.114 0.000 0.784 119 P CB 1.415 33.175 31.700 0.100 0.000 0.923 120 L N 1.960 123.237 121.223 0.090 0.000 2.334 120 L HA 0.432 4.772 4.340 -0.000 0.000 0.275 120 L C -0.051 176.874 176.870 0.092 0.000 1.036 120 L CA -0.665 54.220 54.840 0.075 0.000 0.807 120 L CB 0.709 42.788 42.059 0.033 0.000 1.231 120 L HN 0.222 nan 8.230 nan 0.000 0.438 121 D N 2.693 123.157 120.400 0.106 0.000 2.581 121 D HA -0.082 4.558 4.640 -0.000 0.000 0.238 121 D C 1.020 177.406 176.300 0.144 0.000 1.145 121 D CA 0.637 54.715 54.000 0.129 0.000 0.866 121 D CB 0.796 41.686 40.800 0.151 0.000 1.151 121 D HN 0.618 nan 8.370 nan 0.000 0.500 122 E N 3.008 123.272 120.200 0.106 0.000 2.114 122 E HA -0.220 4.129 4.350 -0.000 0.000 0.199 122 E C 0.845 177.499 176.600 0.090 0.000 1.008 122 E CA 1.325 57.775 56.400 0.083 0.000 0.810 122 E CB 0.014 29.751 29.700 0.062 0.000 0.739 122 E HN 0.662 nan 8.360 nan 0.000 0.456 123 D N -0.852 119.625 120.400 0.128 0.000 2.363 123 D HA -0.064 4.576 4.640 -0.000 0.000 0.226 123 D C 1.271 177.696 176.300 0.207 0.000 1.020 123 D CA 0.380 54.462 54.000 0.135 0.000 0.892 123 D CB -0.132 40.760 40.800 0.153 0.000 0.900 123 D HN 0.142 nan 8.370 nan 0.000 0.531 124 F N 0.840 120.844 119.950 0.089 0.000 2.680 124 F HA 0.190 4.717 4.527 0.000 0.000 0.290 124 F C 2.040 177.883 175.800 0.072 0.000 1.114 124 F CA -0.172 57.938 58.000 0.182 0.000 1.333 124 F CB 0.351 39.422 39.000 0.118 0.000 1.091 124 F HN -0.314 nan 8.300 nan 0.000 0.606 125 R N 1.225 121.766 120.500 0.069 0.000 2.153 125 R HA -0.277 4.063 4.340 -0.000 0.000 0.252 125 R C 2.187 178.429 176.300 -0.097 0.000 1.158 125 R CA 2.298 58.401 56.100 0.005 0.000 0.975 125 R CB -0.630 29.690 30.300 0.034 0.000 0.871 125 R HN 0.387 nan 8.270 nan 0.000 0.450 126 K N 0.024 120.277 120.400 -0.244 0.000 2.127 126 K HA -0.224 4.096 4.320 -0.000 0.000 0.208 126 K C 1.256 177.619 176.600 -0.394 0.000 1.047 126 K CA 2.001 58.085 56.287 -0.340 0.000 0.927 126 K CB -0.478 31.745 32.500 -0.461 0.000 0.716 126 K HN 0.324 nan 8.250 nan 0.000 0.450 127 Y N 1.993 122.028 120.300 -0.441 0.000 2.529 127 Y HA 0.003 4.553 4.550 -0.000 0.000 0.290 127 Y C 2.066 177.861 175.900 -0.175 0.000 1.177 127 Y CA 0.835 58.621 58.100 -0.524 0.000 1.305 127 Y CB -0.065 37.851 38.460 -0.908 0.000 1.047 127 Y HN 0.310 nan 8.280 nan 0.000 0.522 128 T N -2.347 112.244 114.554 0.062 0.000 3.144 128 T HA 0.397 4.747 4.350 -0.000 0.000 0.249 128 T C 0.903 175.885 174.700 0.470 0.000 1.089 128 T CA -0.055 62.231 62.100 0.310 0.000 0.989 128 T CB -0.477 68.547 68.868 0.259 0.000 0.992 128 T HN 0.219 nan 8.240 nan 0.000 0.540 129 A N 1.953 124.941 122.820 0.279 0.000 2.548 129 A HA 0.496 4.816 4.320 -0.000 0.000 0.247 129 A C 0.003 177.764 177.584 0.294 0.000 1.067 129 A CA -0.360 51.799 52.037 0.203 0.000 0.757 129 A CB -0.724 18.347 19.000 0.118 0.000 0.996 129 A HN 0.736 nan 8.150 nan 0.000 0.504 130 F N -0.135 119.885 119.950 0.116 0.000 2.620 130 F HA 0.849 5.376 4.527 -0.000 0.000 0.320 130 F C -0.242 175.586 175.800 0.046 0.000 1.069 130 F CA -1.005 57.032 58.000 0.062 0.000 0.953 130 F CB 1.388 40.404 39.000 0.028 0.000 1.322 130 F HN 0.287 nan 8.300 nan 0.000 0.479 131 T N 2.713 117.341 114.554 0.123 0.000 2.841 131 T HA 0.539 4.889 4.350 -0.000 0.000 0.285 131 T C -0.393 174.358 174.700 0.085 0.000 0.991 131 T CA -0.403 61.707 62.100 0.016 0.000 0.966 131 T CB 1.299 70.168 68.868 0.002 0.000 0.962 131 T HN 0.574 nan 8.240 nan 0.000 0.438 132 I N 5.810 126.420 120.570 0.067 0.000 2.337 132 I HA 0.246 4.416 4.170 -0.000 0.000 0.291 132 I C -1.888 174.237 176.117 0.015 0.000 1.046 132 I CA -2.186 59.152 61.300 0.063 0.000 1.324 132 I CB 0.786 38.836 38.000 0.083 0.000 1.409 132 I HN 0.312 nan 8.210 nan 0.000 0.494 133 P HA 0.091 nan 4.420 nan 0.000 0.274 133 P C -0.146 177.151 177.300 -0.006 0.000 1.237 133 P CA -0.343 62.761 63.100 0.006 0.000 0.793 133 P CB 0.817 32.532 31.700 0.025 0.000 0.977 134 S N 0.434 116.128 115.700 -0.009 0.000 2.584 134 S HA 0.195 4.665 4.470 -0.000 0.000 0.270 134 S C 0.560 175.156 174.600 -0.007 0.000 1.346 134 S CA -0.422 57.770 58.200 -0.013 0.000 1.018 134 S CB -0.411 62.780 63.200 -0.014 0.000 0.899 134 S HN 0.231 nan 8.310 nan 0.000 0.542 135 I N 3.381 123.945 120.570 -0.010 0.000 2.668 135 I HA -0.004 4.166 4.170 -0.000 0.000 0.285 135 I C 0.988 177.106 176.117 0.002 0.000 1.168 135 I CA 0.564 61.860 61.300 -0.005 0.000 1.424 135 I CB -0.246 37.749 38.000 -0.008 0.000 1.377 135 I HN 0.769 nan 8.210 nan 0.000 0.560 136 N N 4.985 123.691 118.700 0.009 0.000 2.710 136 N HA -0.309 4.431 4.740 -0.000 0.000 0.249 136 N C 0.982 176.501 175.510 0.015 0.000 1.059 136 N CA 0.804 53.863 53.050 0.016 0.000 0.720 136 N CB -0.726 37.770 38.487 0.014 0.000 0.983 136 N HN 0.832 nan 8.380 nan 0.000 0.544 137 N N -0.313 118.396 118.700 0.016 0.000 2.889 137 N HA -0.295 4.445 4.740 -0.000 0.000 0.234 137 N C -0.580 174.933 175.510 0.005 0.000 0.915 137 N CA 2.125 55.184 53.050 0.015 0.000 1.025 137 N CB -0.833 37.670 38.487 0.026 0.000 1.073 137 N HN 0.847 nan 8.380 nan 0.000 0.613 138 E N 1.229 121.431 120.200 0.003 0.000 2.366 138 E HA 0.334 4.684 4.350 -0.000 0.000 0.266 138 E C 0.037 176.632 176.600 -0.008 0.000 1.015 138 E CA 0.740 57.138 56.400 -0.002 0.000 0.906 138 E CB 0.740 30.439 29.700 -0.002 0.000 0.979 138 E HN 0.335 nan 8.360 nan 0.000 0.443 139 T N 1.653 116.200 114.554 -0.012 0.000 0.601 139 T HA -0.103 4.247 4.350 -0.000 0.000 0.770 139 T C -2.263 172.424 174.700 -0.023 0.000 0.993 139 T CA -0.283 61.806 62.100 -0.019 0.000 4.057 139 T CB -1.682 67.174 68.868 -0.020 0.000 2.305 139 T HN 0.561 nan 8.240 nan 0.000 0.397 140 P HA 0.593 nan 4.420 nan 0.000 0.331 140 P C 0.143 177.418 177.300 -0.041 0.000 1.426 140 P CA 0.621 63.697 63.100 -0.040 0.000 0.880 140 P CB -0.021 31.646 31.700 -0.054 0.000 2.175 141 G N -1.447 107.318 108.800 -0.059 0.000 2.632 141 G HA2 0.513 4.473 3.960 -0.000 0.000 0.292 141 G HA3 0.513 4.473 3.960 -0.000 0.000 0.292 141 G C -1.451 173.387 174.900 -0.103 0.000 1.465 141 G CA -0.642 44.422 45.100 -0.060 0.000 0.824 141 G HN 0.225 nan 8.290 nan 0.000 0.509 142 I N 0.823 121.329 120.570 -0.107 0.000 2.395 142 I HA 0.398 4.568 4.170 -0.000 0.000 0.289 142 I C 0.234 176.181 176.117 -0.285 0.000 1.023 142 I CA -0.334 60.846 61.300 -0.200 0.000 1.350 142 I CB 1.116 39.039 38.000 -0.128 0.000 1.409 142 I HN 0.189 nan 8.210 nan 0.000 0.507 143 R N 5.821 126.049 120.500 -0.453 0.000 2.480 143 R HA 0.602 4.942 4.340 -0.000 0.000 0.306 143 R C -1.518 174.373 176.300 -0.681 0.000 0.958 143 R CA -0.722 55.099 56.100 -0.464 0.000 0.861 143 R CB 2.060 32.188 30.300 -0.287 0.000 1.171 143 R HN 0.454 nan 8.270 nan 0.000 0.445 144 Y N 0.591 120.492 120.300 -0.664 0.000 2.633 144 Y HA 0.334 4.884 4.550 0.000 0.000 0.339 144 Y C 0.006 175.578 175.900 -0.546 0.000 1.045 144 Y CA -0.787 56.928 58.100 -0.641 0.000 1.098 144 Y CB 2.227 40.183 38.460 -0.840 0.000 1.296 144 Y HN 0.468 nan 8.280 nan 0.000 0.494 145 Q N -0.237 119.518 119.800 -0.074 0.000 2.418 145 Q HA 0.482 4.822 4.340 -0.000 0.000 0.282 145 Q C -2.177 173.877 176.000 0.091 0.000 1.044 145 Q CA -1.045 54.801 55.803 0.072 0.000 0.813 145 Q CB 1.965 30.720 28.738 0.028 0.000 1.428 145 Q HN 0.667 nan 8.270 nan 0.000 0.402 146 Y N 1.296 121.687 120.300 0.152 0.000 2.309 146 Y HA 0.199 4.748 4.550 -0.000 0.000 0.327 146 Y C 0.647 176.553 175.900 0.009 0.000 1.172 146 Y CA 0.502 58.647 58.100 0.075 0.000 1.280 146 Y CB 1.265 39.761 38.460 0.060 0.000 1.234 146 Y HN 0.787 nan 8.280 nan 0.000 0.512 147 N N 0.298 119.062 118.700 0.107 0.000 2.250 147 N HA 0.117 4.857 4.740 -0.000 0.000 0.190 147 N C -0.724 174.839 175.510 0.089 0.000 1.116 147 N CA 0.018 53.109 53.050 0.070 0.000 0.881 147 N CB 0.829 39.328 38.487 0.021 0.000 1.006 147 N HN 0.340 nan 8.380 nan 0.000 0.491 148 V N -1.933 118.054 119.914 0.122 0.000 3.181 148 V HA 0.502 4.622 4.120 -0.000 0.000 0.314 148 V C -0.231 175.947 176.094 0.141 0.000 1.173 148 V CA -1.266 61.111 62.300 0.128 0.000 1.052 148 V CB 1.217 33.100 31.823 0.100 0.000 1.123 148 V HN -0.106 nan 8.190 nan 0.000 0.454 149 L N 2.183 123.518 121.223 0.186 0.000 2.418 149 L HA 0.375 4.715 4.340 -0.000 0.000 0.274 149 L C -2.280 174.709 176.870 0.197 0.000 1.135 149 L CA -1.155 53.760 54.840 0.125 0.000 0.870 149 L CB 0.541 42.630 42.059 0.051 0.000 1.154 149 L HN 0.475 nan 8.230 nan 0.000 0.462 150 P HA 0.106 nan 4.420 nan 0.000 0.284 150 P C -0.891 176.539 177.300 0.217 0.000 1.253 150 P CA -0.621 62.422 63.100 -0.095 0.000 0.800 150 P CB 0.622 31.913 31.700 -0.683 0.000 0.961 151 Q N 1.642 121.677 119.800 0.392 0.000 2.300 151 Q HA 0.216 4.555 4.340 -0.000 0.000 0.280 151 Q C 1.463 177.662 176.000 0.332 0.000 1.033 151 Q CA 1.331 57.329 55.803 0.325 0.000 0.903 151 Q CB -0.212 28.616 28.738 0.151 0.000 1.195 151 Q HN 0.917 nan 8.270 nan 0.000 0.386 152 G N 2.077 111.041 108.800 0.274 0.000 2.176 152 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.253 152 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.253 152 G C -0.484 174.585 174.900 0.281 0.000 0.979 152 G CA 0.116 45.388 45.100 0.286 0.000 0.641 152 G HN 0.606 nan 8.290 nan 0.000 0.530 153 W N 1.936 123.165 121.300 -0.119 0.000 2.351 153 W HA 0.647 5.307 4.660 -0.000 0.000 0.311 153 W C 1.250 177.642 176.519 -0.211 0.000 1.168 153 W CA -0.808 56.344 57.345 -0.322 0.000 1.200 153 W CB 0.888 29.959 29.460 -0.648 0.000 1.221 153 W HN 0.054 nan 8.180 nan 0.000 0.519 154 K N 2.731 122.657 120.400 -0.790 0.000 2.107 154 K HA -0.216 4.104 4.320 -0.000 0.000 0.211 154 K C 1.706 177.668 176.600 -1.064 0.000 1.049 154 K CA 2.158 58.004 56.287 -0.735 0.000 0.927 154 K CB -0.592 31.628 32.500 -0.467 0.000 0.714 154 K HN 0.758 nan 8.250 nan 0.000 0.452 155 G N -0.852 106.700 108.800 -2.081 0.000 2.880 155 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.209 155 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.209 155 G C 1.222 175.300 174.900 -1.370 0.000 1.157 155 G CA 0.174 43.886 45.100 -2.314 0.000 0.779 155 G HN 0.207 nan 8.290 nan 0.000 0.539 156 S N 1.681 116.825 115.700 -0.927 0.000 2.351 156 S HA -0.078 4.392 4.470 -0.000 0.000 0.220 156 S C 0.175 174.397 174.600 -0.630 0.000 1.035 156 S CA 1.521 59.317 58.200 -0.673 0.000 1.031 156 S CB -0.641 62.042 63.200 -0.862 0.000 0.928 156 S HN 0.271 nan 8.310 nan 0.000 0.433 157 P HA -0.095 nan 4.420 nan 0.000 0.215 157 P C 1.391 178.605 177.300 -0.143 0.000 1.157 157 P CA 1.651 64.657 63.100 -0.157 0.000 0.874 157 P CB -0.149 31.475 31.700 -0.128 0.000 0.790 158 A N -0.866 121.769 122.820 -0.308 0.000 1.898 158 A HA -0.150 4.169 4.320 -0.000 0.000 0.216 158 A C 2.217 179.683 177.584 -0.197 0.000 1.181 158 A CA 1.453 53.346 52.037 -0.240 0.000 0.620 158 A CB -1.597 17.218 19.000 -0.309 0.000 0.819 158 A HN 0.118 nan 8.150 nan 0.000 0.442 159 I N -1.828 118.563 120.570 -0.299 0.000 2.315 159 I HA -0.195 3.975 4.170 -0.000 0.000 0.248 159 I C 2.328 178.404 176.117 -0.069 0.000 1.117 159 I CA 1.246 62.448 61.300 -0.164 0.000 1.404 159 I CB -0.380 37.527 38.000 -0.156 0.000 1.071 159 I HN 0.400 nan 8.210 nan 0.000 0.419 160 F N 1.886 121.745 119.950 -0.153 0.000 2.069 160 F HA -0.287 4.239 4.527 -0.001 0.000 0.298 160 F C 2.726 178.510 175.800 -0.027 0.000 1.113 160 F CA 2.001 59.977 58.000 -0.040 0.000 1.214 160 F CB -0.607 38.435 39.000 0.069 0.000 0.978 160 F HN 0.043 nan 8.300 nan 0.000 0.474 161 Q N 0.117 119.835 119.800 -0.136 0.000 2.084 161 Q HA -0.215 4.125 4.340 -0.000 0.000 0.202 161 Q C 2.425 178.300 176.000 -0.209 0.000 0.978 161 Q CA 2.130 57.817 55.803 -0.193 0.000 0.844 161 Q CB -0.527 28.190 28.738 -0.034 0.000 0.898 161 Q HN 0.532 nan 8.270 nan 0.000 0.426 162 S N -0.282 115.333 115.700 -0.142 0.000 2.368 162 S HA -0.124 4.345 4.470 -0.000 0.000 0.225 162 S C 2.116 176.618 174.600 -0.163 0.000 1.030 162 S CA 1.703 59.840 58.200 -0.106 0.000 0.999 162 S CB -0.278 62.891 63.200 -0.052 0.000 0.844 162 S HN 0.444 nan 8.310 nan 0.000 0.459 163 S N 1.483 117.056 115.700 -0.212 0.000 2.356 163 S HA -0.085 4.385 4.470 -0.000 0.000 0.223 163 S C 1.854 176.262 174.600 -0.320 0.000 1.032 163 S CA 1.722 59.782 58.200 -0.232 0.000 1.005 163 S CB -0.557 62.526 63.200 -0.196 0.000 0.867 163 S HN 0.643 nan 8.310 nan 0.000 0.449 164 M N 1.792 121.113 119.600 -0.465 0.000 2.279 164 M HA -0.065 4.415 4.480 -0.000 0.000 0.264 164 M C 1.820 177.964 176.300 -0.259 0.000 1.062 164 M CA 1.466 56.518 55.300 -0.413 0.000 1.099 164 M CB -1.019 31.250 32.600 -0.551 0.000 1.394 164 M HN 0.144 nan 8.290 nan 0.000 0.426 165 T N -0.060 114.366 114.554 -0.214 0.000 2.770 165 T HA -0.087 4.263 4.350 -0.000 0.000 0.263 165 T C 1.804 176.419 174.700 -0.142 0.000 1.039 165 T CA 1.498 63.516 62.100 -0.137 0.000 1.142 165 T CB -0.084 68.730 68.868 -0.090 0.000 0.868 165 T HN 0.366 nan 8.240 nan 0.000 0.435 166 K N 0.587 120.883 120.400 -0.174 0.000 2.057 166 K HA 0.061 4.381 4.320 -0.000 0.000 0.207 166 K C 2.034 178.456 176.600 -0.296 0.000 1.049 166 K CA 1.094 57.264 56.287 -0.196 0.000 0.931 166 K CB -0.228 32.154 32.500 -0.196 0.000 0.714 166 K HN 0.313 nan 8.250 nan 0.000 0.440 167 I N 0.442 120.780 120.570 -0.388 0.000 2.439 167 I HA -0.233 3.937 4.170 -0.000 0.000 0.251 167 I C 1.749 177.751 176.117 -0.193 0.000 1.139 167 I CA 0.914 61.886 61.300 -0.548 0.000 1.438 167 I CB -0.012 37.659 38.000 -0.548 0.000 1.085 167 I HN 0.140 nan 8.210 nan 0.000 0.427 168 L N 0.095 121.243 121.223 -0.126 0.000 2.270 168 L HA -0.090 4.249 4.340 -0.000 0.000 0.210 168 L C 2.353 179.216 176.870 -0.011 0.000 1.104 168 L CA 0.721 55.534 54.840 -0.045 0.000 0.804 168 L CB -0.445 41.581 42.059 -0.055 0.000 0.937 168 L HN 0.223 nan 8.230 nan 0.000 0.450 169 E N 0.632 120.810 120.200 -0.037 0.000 2.068 169 E HA -0.260 4.090 4.350 -0.000 0.000 0.207 169 E C -0.647 175.955 176.600 0.003 0.000 1.032 169 E CA 1.744 58.134 56.400 -0.016 0.000 0.839 169 E CB -1.478 28.204 29.700 -0.030 0.000 0.758 169 E HN 0.447 nan 8.360 nan 0.000 0.457 170 P HA -0.238 nan 4.420 nan 0.000 0.214 170 P C 1.464 178.750 177.300 -0.022 0.000 1.169 170 P CA 1.411 64.540 63.100 0.048 0.000 0.908 170 P CB -0.332 31.489 31.700 0.203 0.000 0.791 171 F N 0.977 120.733 119.950 -0.323 0.000 2.043 171 F HA -0.242 4.284 4.527 -0.001 0.000 0.297 171 F C 2.691 178.401 175.800 -0.150 0.000 1.121 171 F CA 1.863 59.669 58.000 -0.323 0.000 1.199 171 F CB -0.537 38.181 39.000 -0.469 0.000 0.968 171 F HN -0.274 nan 8.300 nan 0.000 0.478 172 R N 0.048 120.588 120.500 0.067 0.000 2.112 172 R HA -0.230 4.110 4.340 -0.000 0.000 0.242 172 R C 2.161 178.413 176.300 -0.079 0.000 1.137 172 R CA 1.818 57.922 56.100 0.005 0.000 0.944 172 R CB -0.477 29.846 30.300 0.038 0.000 0.857 172 R HN 0.121 nan 8.270 nan 0.000 0.435 173 K N 0.855 121.216 120.400 -0.064 0.000 2.074 173 K HA -0.154 4.166 4.320 -0.000 0.000 0.209 173 K C 1.993 178.531 176.600 -0.104 0.000 1.048 173 K CA 1.505 57.754 56.287 -0.063 0.000 0.926 173 K CB -0.287 32.190 32.500 -0.038 0.000 0.713 173 K HN 0.366 nan 8.250 nan 0.000 0.444 174 Q N 0.519 120.219 119.800 -0.166 0.000 2.482 174 Q HA 0.018 4.358 4.340 -0.000 0.000 0.209 174 Q C -0.247 175.592 176.000 -0.269 0.000 0.961 174 Q CA 0.530 56.213 55.803 -0.200 0.000 0.945 174 Q CB 0.100 28.707 28.738 -0.220 0.000 1.012 174 Q HN 0.364 nan 8.270 nan 0.000 0.515 175 N N 0.695 119.215 118.700 -0.300 0.000 2.622 175 N HA 0.104 4.844 4.740 -0.000 0.000 0.293 175 N C -2.272 173.155 175.510 -0.138 0.000 1.788 175 N CA -0.799 52.084 53.050 -0.279 0.000 0.860 175 N CB 0.871 39.041 38.487 -0.528 0.000 1.388 175 N HN -0.002 nan 8.380 nan 0.000 0.496 176 P HA -0.127 nan 4.420 nan 0.000 0.219 176 P C 0.310 177.598 177.300 -0.021 0.000 1.144 176 P CA 1.254 64.330 63.100 -0.040 0.000 0.806 176 P CB 0.325 32.003 31.700 -0.036 0.000 0.771 177 D N -0.609 119.776 120.400 -0.026 0.000 2.336 177 D HA 0.162 4.802 4.640 -0.000 0.000 0.229 177 D C 0.751 177.058 176.300 0.012 0.000 1.061 177 D CA 0.299 54.294 54.000 -0.009 0.000 0.875 177 D CB -0.026 40.767 40.800 -0.012 0.000 0.904 177 D HN 0.306 nan 8.370 nan 0.000 0.525 178 I N 0.990 121.573 120.570 0.022 0.000 2.474 178 I HA 0.191 4.361 4.170 -0.000 0.000 0.294 178 I C -0.098 176.068 176.117 0.081 0.000 1.005 178 I CA -1.235 60.109 61.300 0.072 0.000 1.113 178 I CB 2.364 40.432 38.000 0.115 0.000 1.289 178 I HN -0.301 nan 8.210 nan 0.000 0.436 179 V N 6.001 125.965 119.914 0.083 0.000 2.472 179 V HA 0.652 4.772 4.120 -0.000 0.000 0.290 179 V C -0.269 175.888 176.094 0.106 0.000 1.037 179 V CA -0.517 61.828 62.300 0.075 0.000 0.908 179 V CB 1.535 33.376 31.823 0.030 0.000 0.985 179 V HN 0.599 nan 8.190 nan 0.000 0.454 180 I N 2.955 123.591 120.570 0.109 0.000 2.478 180 I HA 0.577 4.747 4.170 -0.000 0.000 0.287 180 I C -1.663 174.537 176.117 0.138 0.000 1.042 180 I CA -0.725 60.641 61.300 0.110 0.000 1.067 180 I CB 1.901 39.945 38.000 0.073 0.000 1.233 180 I HN 0.808 nan 8.210 nan 0.000 0.431 181 Y N 5.844 126.165 120.300 0.036 0.000 2.328 181 Y HA 0.444 4.994 4.550 -0.000 0.000 0.337 181 Y C -0.513 175.460 175.900 0.121 0.000 0.966 181 Y CA -0.498 57.620 58.100 0.030 0.000 1.136 181 Y CB 1.623 40.023 38.460 -0.100 0.000 1.170 181 Y HN 0.631 nan 8.280 nan 0.000 0.470 182 Q N 6.231 125.744 119.800 -0.478 0.000 2.314 182 Q HA 0.194 4.533 4.340 -0.000 0.000 0.257 182 Q C -1.747 173.977 176.000 -0.459 0.000 0.975 182 Q CA -0.287 55.314 55.803 -0.335 0.000 0.933 182 Q CB 1.137 29.767 28.738 -0.180 0.000 1.195 182 Q HN 0.698 nan 8.270 nan 0.000 0.426 183 Y N 4.780 124.921 120.300 -0.265 0.000 2.402 183 Y HA 0.261 4.811 4.550 0.001 0.000 0.325 183 Y C 0.153 176.115 175.900 0.104 0.000 1.009 183 Y CA -0.445 57.632 58.100 -0.037 0.000 1.278 183 Y CB 0.316 38.956 38.460 0.301 0.000 1.105 183 Y HN 0.876 nan 8.280 nan 0.000 0.476 184 M N 1.209 120.654 119.600 -0.258 0.000 7.319 184 M HA -0.388 4.092 4.480 -0.000 0.000 0.298 184 M C 0.557 176.847 176.300 -0.018 0.000 0.480 184 M CA 2.442 57.607 55.300 -0.225 0.000 1.311 184 M CB -0.915 31.406 32.600 -0.465 0.000 0.421 184 M HN 0.723 nan 8.290 nan 0.000 0.605 185 D N -0.025 120.312 120.400 -0.106 0.000 2.363 185 D HA 0.211 4.851 4.640 -0.000 0.000 0.214 185 D C -0.261 176.051 176.300 0.020 0.000 1.093 185 D CA 0.205 54.164 54.000 -0.069 0.000 0.837 185 D CB -0.120 40.489 40.800 -0.318 0.000 0.948 185 D HN 0.291 nan 8.370 nan 0.000 0.507 186 D N 0.415 120.853 120.400 0.064 0.000 2.332 186 D HA 0.458 5.098 4.640 -0.000 0.000 0.252 186 D C -0.094 176.219 176.300 0.021 0.000 1.050 186 D CA -0.378 53.640 54.000 0.029 0.000 0.970 186 D CB 1.979 42.820 40.800 0.069 0.000 1.141 186 D HN 0.028 nan 8.370 nan 0.000 0.485 187 L N 1.573 122.724 121.223 -0.120 0.000 2.439 187 L HA 0.289 4.629 4.340 -0.000 0.000 0.270 187 L C -1.284 175.438 176.870 -0.247 0.000 0.972 187 L CA -0.829 53.958 54.840 -0.088 0.000 0.836 187 L CB 1.346 43.357 42.059 -0.080 0.000 1.255 187 L HN 0.254 nan 8.230 nan 0.000 0.404 188 Y N 2.608 122.862 120.300 -0.077 0.000 2.330 188 Y HA 0.523 5.072 4.550 -0.002 0.000 0.336 188 Y C 0.049 175.914 175.900 -0.057 0.000 1.036 188 Y CA -0.640 57.380 58.100 -0.134 0.000 1.125 188 Y CB 1.907 40.264 38.460 -0.171 0.000 1.194 188 Y HN 0.130 nan 8.280 nan 0.000 0.469 189 V N 2.977 122.931 119.914 0.066 0.000 2.444 189 V HA 0.816 4.936 4.120 -0.000 0.000 0.294 189 V C 0.082 176.292 176.094 0.193 0.000 1.022 189 V CA -0.799 61.572 62.300 0.119 0.000 0.850 189 V CB 1.543 33.413 31.823 0.079 0.000 0.992 189 V HN 0.912 nan 8.190 nan 0.000 0.426 190 G N 2.525 111.419 108.800 0.158 0.000 2.591 190 G HA2 0.802 4.762 3.960 -0.000 0.000 0.306 190 G HA3 0.802 4.762 3.960 -0.000 0.000 0.306 190 G C -0.689 174.262 174.900 0.084 0.000 1.334 190 G CA -0.149 45.009 45.100 0.096 0.000 0.981 190 G HN 1.027 nan 8.290 nan 0.000 0.491 191 S N -0.313 115.382 115.700 -0.008 0.000 2.656 191 S HA 0.517 4.987 4.470 -0.000 0.000 0.273 191 S C -0.981 173.583 174.600 -0.061 0.000 1.168 191 S CA -0.740 57.468 58.200 0.014 0.000 0.817 191 S CB 2.271 65.554 63.200 0.139 0.000 1.146 191 S HN 0.289 nan 8.310 nan 0.000 0.475 192 D N 0.670 121.057 120.400 -0.022 0.000 2.388 192 D HA 0.345 4.985 4.640 -0.000 0.000 0.221 192 D C 0.160 176.453 176.300 -0.011 0.000 1.133 192 D CA 0.020 54.005 54.000 -0.026 0.000 0.831 192 D CB 0.071 40.863 40.800 -0.013 0.000 0.962 192 D HN 0.408 nan 8.370 nan 0.000 0.502 193 L N 0.927 122.153 121.223 0.004 0.000 2.453 193 L HA 0.111 4.450 4.340 -0.000 0.000 0.261 193 L C 0.697 177.588 176.870 0.035 0.000 1.179 193 L CA -0.457 54.409 54.840 0.043 0.000 0.813 193 L CB 0.614 42.741 42.059 0.113 0.000 1.110 193 L HN -0.228 nan 8.230 nan 0.000 0.466 194 E N 0.928 121.158 120.200 0.050 0.000 2.373 194 E HA 0.044 4.394 4.350 -0.000 0.000 0.267 194 E C 0.916 177.566 176.600 0.084 0.000 1.032 194 E CA -0.304 56.126 56.400 0.049 0.000 0.889 194 E CB 0.549 30.273 29.700 0.040 0.000 0.984 194 E HN 0.295 nan 8.360 nan 0.000 0.425 195 I N 1.438 122.055 120.570 0.078 0.000 2.227 195 I HA -0.315 3.855 4.170 -0.000 0.000 0.250 195 I C 2.008 178.200 176.117 0.124 0.000 1.087 195 I CA 2.195 63.562 61.300 0.112 0.000 1.352 195 I CB -1.076 36.973 38.000 0.082 0.000 1.043 195 I HN 0.685 nan 8.210 nan 0.000 0.425 196 G N 0.381 109.234 108.800 0.088 0.000 2.394 196 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.214 196 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.214 196 G C 1.436 176.382 174.900 0.077 0.000 1.176 196 G CA 0.592 45.735 45.100 0.072 0.000 0.786 196 G HN 0.585 nan 8.290 nan 0.000 0.533 197 Q N -0.112 119.740 119.800 0.086 0.000 2.472 197 Q HA 0.004 4.344 4.340 -0.000 0.000 0.208 197 Q C 1.829 177.903 176.000 0.123 0.000 0.958 197 Q CA 0.715 56.569 55.803 0.084 0.000 0.932 197 Q CB -0.303 28.477 28.738 0.070 0.000 1.007 197 Q HN 0.753 nan 8.270 nan 0.000 0.508 198 H N 1.812 120.912 119.070 0.050 0.000 2.329 198 H HA 0.123 4.680 4.556 0.002 0.000 0.306 198 H C 1.730 177.098 175.328 0.067 0.000 1.062 198 H CA 0.607 56.692 56.048 0.061 0.000 1.364 198 H CB 0.339 30.138 29.762 0.061 0.000 1.409 198 H HN 0.134 nan 8.280 nan 0.000 0.519 199 R N -0.148 120.352 120.500 0.000 0.000 2.133 199 R HA -0.117 4.223 4.340 -0.000 0.000 0.247 199 R C 2.314 178.594 176.300 -0.034 0.000 1.151 199 R CA 2.025 58.101 56.100 -0.039 0.000 0.971 199 R CB -0.240 30.081 30.300 0.035 0.000 0.866 199 R HN 0.319 nan 8.270 nan 0.000 0.447 200 T N 0.602 115.160 114.554 0.007 0.000 2.857 200 T HA -0.040 4.310 4.350 -0.000 0.000 0.266 200 T C 1.635 176.354 174.700 0.032 0.000 1.048 200 T CA 0.877 62.991 62.100 0.024 0.000 1.139 200 T CB 0.075 68.966 68.868 0.039 0.000 0.874 200 T HN 0.181 nan 8.240 nan 0.000 0.455 201 K N 0.522 120.939 120.400 0.027 0.000 2.228 201 K HA 0.062 4.382 4.320 -0.000 0.000 0.202 201 K C 2.080 178.732 176.600 0.086 0.000 1.051 201 K CA 0.484 56.827 56.287 0.093 0.000 0.960 201 K CB -0.128 32.443 32.500 0.118 0.000 0.743 201 K HN 0.261 nan 8.250 nan 0.000 0.458 202 I N 1.897 122.420 120.570 -0.079 0.000 2.113 202 I HA -0.247 3.923 4.170 -0.000 0.000 0.238 202 I C 2.220 178.311 176.117 -0.044 0.000 1.070 202 I CA 1.457 62.688 61.300 -0.115 0.000 1.332 202 I CB -1.094 36.789 38.000 -0.195 0.000 1.044 202 I HN 0.118 nan 8.210 nan 0.000 0.402 203 E N 0.534 120.724 120.200 -0.016 0.000 2.097 203 E HA -0.271 4.079 4.350 -0.000 0.000 0.196 203 E C 2.091 178.719 176.600 0.047 0.000 1.000 203 E CA 1.286 57.694 56.400 0.013 0.000 0.804 203 E CB -0.349 29.364 29.700 0.022 0.000 0.740 203 E HN 0.564 nan 8.360 nan 0.000 0.454 204 E N 0.109 120.364 120.200 0.092 0.000 2.204 204 E HA -0.136 4.214 4.350 -0.000 0.000 0.194 204 E C 2.142 178.854 176.600 0.187 0.000 0.989 204 E CA 0.398 56.900 56.400 0.169 0.000 0.824 204 E CB 0.003 29.835 29.700 0.220 0.000 0.756 204 E HN 0.201 nan 8.360 nan 0.000 0.477 205 L N 0.476 121.712 121.223 0.022 0.000 2.049 205 L HA -0.065 4.274 4.340 -0.000 0.000 0.203 205 L C 2.581 179.361 176.870 -0.150 0.000 1.074 205 L CA 1.018 55.631 54.840 -0.378 0.000 0.749 205 L CB -0.290 41.440 42.059 -0.548 0.000 0.907 205 L HN 0.133 nan 8.230 nan 0.000 0.439 206 R N -0.375 120.079 120.500 -0.078 0.000 2.170 206 R HA -0.267 4.073 4.340 -0.000 0.000 0.242 206 R C 2.119 178.428 176.300 0.014 0.000 1.145 206 R CA 1.946 58.027 56.100 -0.031 0.000 0.984 206 R CB -0.084 30.204 30.300 -0.020 0.000 0.869 206 R HN 0.462 nan 8.270 nan 0.000 0.455 207 Q N -0.719 119.109 119.800 0.046 0.000 2.250 207 Q HA -0.129 4.211 4.340 -0.000 0.000 0.200 207 Q C 1.716 177.782 176.000 0.111 0.000 0.941 207 Q CA 1.522 57.365 55.803 0.067 0.000 0.872 207 Q CB -0.109 28.673 28.738 0.072 0.000 0.965 207 Q HN 0.492 nan 8.270 nan 0.000 0.480 208 H N -0.507 118.601 119.070 0.063 0.000 2.457 208 H HA 0.057 4.613 4.556 0.000 0.000 0.294 208 H C 1.400 176.847 175.328 0.197 0.000 1.064 208 H CA 1.427 57.562 56.048 0.145 0.000 1.330 208 H CB 0.126 29.996 29.762 0.180 0.000 1.395 208 H HN 0.311 nan 8.280 nan 0.000 0.541 209 L N -0.176 121.128 121.223 0.135 0.000 2.095 209 L HA -0.099 4.240 4.340 -0.000 0.000 0.204 209 L C 2.456 179.383 176.870 0.094 0.000 1.080 209 L CA 0.507 55.414 54.840 0.111 0.000 0.759 209 L CB -0.298 41.795 42.059 0.057 0.000 0.914 209 L HN 0.373 nan 8.230 nan 0.000 0.439 210 L N 0.258 121.511 121.223 0.049 0.000 2.127 210 L HA -0.238 4.102 4.340 -0.000 0.000 0.211 210 L C 2.748 179.606 176.870 -0.020 0.000 1.089 210 L CA 1.424 56.277 54.840 0.021 0.000 0.757 210 L CB -0.529 41.536 42.059 0.010 0.000 0.899 210 L HN 0.362 nan 8.230 nan 0.000 0.434 211 R N -0.840 119.621 120.500 -0.066 0.000 2.280 211 R HA -0.189 4.151 4.340 -0.000 0.000 0.207 211 R C 1.042 177.096 176.300 -0.411 0.000 1.043 211 R CA 0.833 56.798 56.100 -0.224 0.000 1.006 211 R CB -0.257 29.887 30.300 -0.259 0.000 0.885 211 R HN 0.410 nan 8.270 nan 0.000 0.467 212 W N -0.341 120.883 121.300 -0.126 0.000 3.123 212 W HA 0.300 4.959 4.660 -0.001 0.000 0.383 212 W C 0.848 177.345 176.519 -0.037 0.000 1.102 212 W CA 0.434 57.719 57.345 -0.100 0.000 1.865 212 W CB 0.656 30.025 29.460 -0.150 0.000 1.111 212 W HN 0.299 nan 8.180 nan 0.000 0.621 213 G N 1.196 110.056 108.800 0.102 0.000 2.137 213 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.237 213 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.237 213 G C -0.416 174.557 174.900 0.123 0.000 1.002 213 G CA -0.255 44.904 45.100 0.097 0.000 0.702 213 G HN 0.176 nan 8.290 nan 0.000 0.515 214 L N 1.439 122.734 121.223 0.120 0.000 2.349 214 L HA 0.605 4.945 4.340 -0.000 0.000 0.278 214 L C 0.804 177.718 176.870 0.072 0.000 0.996 214 L CA -0.441 54.468 54.840 0.116 0.000 0.825 214 L CB 2.027 44.167 42.059 0.135 0.000 1.243 214 L HN 0.336 nan 8.230 nan 0.000 0.412 215 T N -0.236 114.352 114.554 0.057 0.000 2.922 215 T HA 0.732 5.082 4.350 -0.000 0.000 0.285 215 T C -0.019 174.689 174.700 0.014 0.000 1.005 215 T CA -0.409 61.707 62.100 0.026 0.000 1.061 215 T CB 1.678 70.555 68.868 0.014 0.000 1.007 215 T HN 0.690 nan 8.240 nan 0.000 0.502 216 T N 0.101 114.652 114.554 -0.004 0.000 2.982 216 T HA 0.611 4.961 4.350 -0.000 0.000 0.321 216 T C -3.234 171.453 174.700 -0.021 0.000 1.229 216 T CA -1.577 60.514 62.100 -0.015 0.000 1.044 216 T CB 1.380 70.236 68.868 -0.021 0.000 1.184 216 T HN 0.644 nan 8.240 nan 0.000 0.477 217 P HA 0.217 nan 4.420 nan 0.000 0.266 217 P C -0.664 176.651 177.300 0.026 0.000 1.195 217 P CA 0.085 63.183 63.100 -0.003 0.000 0.768 217 P CB 0.362 32.085 31.700 0.038 0.000 0.838 218 D N 1.710 122.136 120.400 0.044 0.000 2.387 218 D HA 0.238 4.878 4.640 -0.000 0.000 0.251 218 D C -0.275 176.099 176.300 0.123 0.000 1.141 218 D CA -0.680 53.363 54.000 0.073 0.000 0.987 218 D CB 0.070 40.911 40.800 0.069 0.000 1.116 218 D HN 0.102 nan 8.370 nan 0.000 0.491 219 K N -0.036 120.414 120.400 0.083 0.000 2.518 219 K HA 0.038 4.358 4.320 -0.000 0.000 0.276 219 K C 0.825 177.476 176.600 0.085 0.000 0.974 219 K CA 0.244 56.575 56.287 0.072 0.000 0.986 219 K CB 0.174 32.705 32.500 0.051 0.000 0.901 219 K HN 0.839 nan 8.250 nan 0.000 0.497 220 K N 0.038 120.459 120.400 0.036 0.000 3.459 220 K HA -0.337 3.983 4.320 -0.000 0.000 0.291 220 K C 0.467 176.961 176.600 -0.176 0.000 0.863 220 K CA 1.619 57.873 56.287 -0.054 0.000 1.269 220 K CB -1.466 31.005 32.500 -0.049 0.000 1.300 220 K HN 0.784 nan 8.250 nan 0.000 0.507 221 H N 1.309 120.394 119.070 0.025 0.000 2.750 221 H HA 0.195 4.751 4.556 0.000 0.000 0.263 221 H C 0.369 175.715 175.328 0.030 0.000 0.964 221 H CA 0.551 56.613 56.048 0.024 0.000 1.205 221 H CB 0.459 30.230 29.762 0.015 0.000 1.454 221 H HN 0.455 nan 8.280 nan 0.000 0.503 222 Q N 1.652 121.526 119.800 0.122 0.000 2.256 222 Q HA 0.241 4.581 4.340 -0.000 0.000 0.254 222 Q C -0.688 175.385 176.000 0.122 0.000 0.916 222 Q CA -1.046 54.818 55.803 0.102 0.000 0.932 222 Q CB 1.548 30.331 28.738 0.075 0.000 1.207 222 Q HN -0.030 nan 8.270 nan 0.000 0.426 223 K N 1.664 122.160 120.400 0.160 0.000 2.455 223 K HA 0.028 4.348 4.320 -0.000 0.000 0.269 223 K C -0.139 176.609 176.600 0.247 0.000 0.972 223 K CA 0.268 56.681 56.287 0.209 0.000 0.938 223 K CB 0.357 33.018 32.500 0.269 0.000 0.931 223 K HN 0.528 nan 8.250 nan 0.000 0.507 224 E N 1.606 121.852 120.200 0.077 0.000 2.214 224 E HA 0.276 4.626 4.350 -0.000 0.000 0.274 224 E C -2.244 174.096 176.600 -0.433 0.000 0.977 224 E CA -2.214 54.142 56.400 -0.074 0.000 0.827 224 E CB 0.965 30.637 29.700 -0.047 0.000 1.130 224 E HN 0.398 nan 8.360 nan 0.000 0.394 225 P HA 0.096 nan 4.420 nan 0.000 0.270 225 P C -2.426 174.585 177.300 -0.481 0.000 1.223 225 P CA -1.026 61.477 63.100 -0.995 0.000 0.785 225 P CB -0.309 31.021 31.700 -0.616 0.000 0.923 226 P HA 0.195 nan 4.420 nan 0.000 0.276 226 P C -1.020 176.058 177.300 -0.369 0.000 1.230 226 P CA 0.020 62.755 63.100 -0.609 0.000 0.776 226 P CB 0.235 31.497 31.700 -0.730 0.000 0.888 227 F N 2.496 122.473 119.950 0.046 0.000 2.424 227 F HA 0.169 4.696 4.527 -0.001 0.000 0.356 227 F C 0.697 176.640 175.800 0.238 0.000 1.110 227 F CA -0.672 57.434 58.000 0.177 0.000 1.161 227 F CB 0.420 39.591 39.000 0.284 0.000 1.115 227 F HN 0.054 nan 8.300 nan 0.000 0.507 228 L N 4.077 125.547 121.223 0.411 0.000 2.315 228 L HA 0.157 4.497 4.340 -0.000 0.000 0.283 228 L C -0.853 176.282 176.870 0.443 0.000 1.089 228 L CA -0.556 54.492 54.840 0.346 0.000 0.833 228 L CB -0.050 42.147 42.059 0.230 0.000 1.170 228 L HN 0.791 nan 8.230 nan 0.000 0.442 229 W N 6.742 128.166 121.300 0.207 0.000 3.042 229 W HA 0.405 5.066 4.660 0.002 0.000 0.337 229 W C -0.009 176.577 176.519 0.111 0.000 1.086 229 W CA -0.772 56.645 57.345 0.119 0.000 1.236 229 W CB 1.073 30.542 29.460 0.014 0.000 1.381 229 W HN 0.404 nan 8.180 nan 0.000 0.472 230 M N 5.345 124.521 119.600 -0.707 0.000 2.503 230 M HA -0.220 4.259 4.480 -0.000 0.000 0.199 230 M C 1.103 177.088 176.300 -0.524 0.000 0.466 230 M CA 2.019 56.857 55.300 -0.770 0.000 0.510 230 M CB -2.213 29.574 32.600 -1.355 0.000 1.858 230 M HN 1.574 nan 8.290 nan 0.000 0.799 231 G N -1.788 106.812 108.800 -0.334 0.000 2.175 231 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.244 231 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.244 231 G C -0.336 174.568 174.900 0.007 0.000 0.982 231 G CA 0.376 45.285 45.100 -0.318 0.000 0.641 231 G HN 0.539 nan 8.290 nan 0.000 0.527 232 Y N -0.025 120.451 120.300 0.294 0.000 2.567 232 Y HA 0.708 5.259 4.550 0.001 0.000 0.333 232 Y C 0.412 176.505 175.900 0.320 0.000 1.106 232 Y CA -1.342 56.971 58.100 0.354 0.000 1.157 232 Y CB 1.397 40.061 38.460 0.340 0.000 1.277 232 Y HN 0.153 nan 8.280 nan 0.000 0.490 233 E N 2.271 122.784 120.200 0.521 0.000 2.182 233 E HA 0.497 4.847 4.350 -0.000 0.000 0.258 233 E C -2.016 174.833 176.600 0.414 0.000 0.879 233 E CA -0.438 56.187 56.400 0.375 0.000 0.754 233 E CB 0.608 30.483 29.700 0.291 0.000 1.162 233 E HN 0.634 nan 8.360 nan 0.000 0.419 234 L N 4.758 126.191 121.223 0.349 0.000 2.287 234 L HA 0.482 4.822 4.340 -0.000 0.000 0.287 234 L C -0.451 176.530 176.870 0.186 0.000 1.022 234 L CA -0.886 54.183 54.840 0.383 0.000 0.814 234 L CB 0.926 43.212 42.059 0.378 0.000 1.217 234 L HN 0.595 nan 8.230 nan 0.000 0.420 235 H N 2.879 122.131 119.070 0.304 0.000 2.595 235 H HA 0.326 4.881 4.556 -0.002 0.000 0.346 235 H C -1.651 173.867 175.328 0.317 0.000 1.181 235 H CA -1.815 54.366 56.048 0.220 0.000 1.242 235 H CB 0.884 30.749 29.762 0.172 0.000 1.652 235 H HN 0.324 nan 8.280 nan 0.000 0.548 236 P HA -0.117 nan 4.420 nan 0.000 0.226 236 P C 0.332 177.852 177.300 0.368 0.000 1.153 236 P CA 1.295 64.558 63.100 0.270 0.000 0.777 236 P CB 0.532 32.320 31.700 0.147 0.000 0.794 237 D N -0.808 119.821 120.400 0.381 0.000 2.449 237 D HA 0.028 4.668 4.640 -0.000 0.000 0.210 237 D C 0.651 177.085 176.300 0.223 0.000 1.094 237 D CA 0.303 54.491 54.000 0.313 0.000 0.846 237 D CB 0.409 41.295 40.800 0.145 0.000 1.003 237 D HN 0.297 nan 8.370 nan 0.000 0.504 238 K N -1.006 119.506 120.400 0.185 0.000 2.507 238 K HA 0.526 4.846 4.320 -0.000 0.000 0.284 238 K C -1.295 175.321 176.600 0.027 0.000 1.038 238 K CA -1.098 55.126 56.287 -0.105 0.000 0.903 238 K CB 1.692 34.139 32.500 -0.089 0.000 1.531 238 K HN 0.129 nan 8.250 nan 0.000 0.430 239 W N 0.069 121.255 121.300 -0.190 0.000 3.167 239 W HA 0.648 5.306 4.660 -0.002 0.000 0.324 239 W C -1.893 174.562 176.519 -0.108 0.000 1.230 239 W CA -0.767 56.544 57.345 -0.056 0.000 1.184 239 W CB 1.392 30.768 29.460 -0.140 0.000 1.414 239 W HN 0.791 nan 8.180 nan 0.000 0.551 240 T N 0.616 115.139 114.554 -0.052 0.000 2.754 240 T HA 0.584 4.934 4.350 -0.000 0.000 0.296 240 T C -0.707 174.154 174.700 0.268 0.000 1.205 240 T CA -0.179 61.723 62.100 -0.329 0.000 1.009 240 T CB 1.180 69.611 68.868 -0.728 0.000 1.368 240 T HN 0.848 nan 8.240 nan 0.000 0.509 241 V N 0.693 120.745 119.914 0.230 0.000 3.036 241 V HA 0.617 4.736 4.120 -0.000 0.000 0.308 241 V C 0.434 176.728 176.094 0.333 0.000 1.070 241 V CA -0.811 61.742 62.300 0.422 0.000 1.056 241 V CB 0.657 32.660 31.823 0.300 0.000 1.084 241 V HN 0.972 nan 8.190 nan 0.000 0.471 242 Q N 1.408 121.418 119.800 0.351 0.000 2.454 242 Q HA 0.268 4.608 4.340 -0.000 0.000 0.247 242 Q C -2.281 173.828 176.000 0.182 0.000 1.028 242 Q CA -1.294 54.642 55.803 0.221 0.000 0.910 242 Q CB 0.275 29.099 28.738 0.144 0.000 1.276 242 Q HN 0.631 nan 8.270 nan 0.000 0.489 243 P HA -0.130 nan 4.420 nan 0.000 0.255 243 P C -1.111 176.234 177.300 0.074 0.000 1.151 243 P CA 1.060 64.218 63.100 0.097 0.000 0.767 243 P CB 0.125 31.871 31.700 0.077 0.000 0.736 244 I N 4.188 124.792 120.570 0.056 0.000 2.328 244 I HA 0.178 4.348 4.170 -0.000 0.000 0.287 244 I C 0.146 176.264 176.117 0.001 0.000 1.012 244 I CA -0.681 60.634 61.300 0.026 0.000 1.195 244 I CB 1.531 39.532 38.000 0.002 0.000 1.350 244 I HN 0.080 nan 8.210 nan 0.000 0.464 245 V N 8.353 128.274 119.914 0.012 0.000 2.333 245 V HA 0.446 4.566 4.120 -0.000 0.000 0.274 245 V C -0.239 175.872 176.094 0.028 0.000 1.028 245 V CA -0.444 61.864 62.300 0.013 0.000 0.851 245 V CB 0.938 32.768 31.823 0.013 0.000 1.000 245 V HN 0.504 nan 8.190 nan 0.000 0.456 246 L N 9.823 131.067 121.223 0.035 0.000 2.295 246 L HA 0.439 4.779 4.340 -0.000 0.000 0.288 246 L C -1.620 175.319 176.870 0.116 0.000 1.079 246 L CA -1.588 53.303 54.840 0.086 0.000 0.830 246 L CB 0.713 42.811 42.059 0.066 0.000 1.200 246 L HN 0.518 nan 8.230 nan 0.000 0.438 247 P HA -0.000 nan 4.420 nan 0.000 0.269 247 P C -0.641 176.701 177.300 0.071 0.000 1.211 247 P CA -0.104 63.022 63.100 0.043 0.000 0.781 247 P CB 0.865 32.527 31.700 -0.063 0.000 0.877 248 E N 1.723 121.914 120.200 -0.016 0.000 2.109 248 E HA 0.323 4.673 4.350 -0.000 0.000 0.278 248 E C -0.278 176.235 176.600 -0.145 0.000 0.954 248 E CA -0.345 56.054 56.400 -0.002 0.000 0.779 248 E CB 1.566 31.265 29.700 -0.002 0.000 1.093 248 E HN 0.360 nan 8.360 nan 0.000 0.401 249 K N 1.593 121.858 120.400 -0.226 0.000 2.426 249 K HA 0.224 4.544 4.320 -0.000 0.000 0.251 249 K C -0.189 176.250 176.600 -0.268 0.000 0.941 249 K CA -0.554 55.437 56.287 -0.495 0.000 0.808 249 K CB 1.626 33.305 32.500 -1.368 0.000 1.265 249 K HN 0.114 nan 8.250 nan 0.000 0.432 250 D N -0.109 120.160 120.400 -0.219 0.000 2.301 250 D HA 0.073 4.713 4.640 -0.000 0.000 0.206 250 D C -0.520 175.742 176.300 -0.063 0.000 0.979 250 D CA 0.828 54.781 54.000 -0.079 0.000 0.874 250 D CB 0.587 41.349 40.800 -0.063 0.000 0.968 250 D HN 0.268 nan 8.370 nan 0.000 0.510 251 S N -0.237 115.349 115.700 -0.189 0.000 2.557 251 S HA 0.444 4.914 4.470 -0.000 0.000 0.291 251 S C -1.301 173.167 174.600 -0.221 0.000 1.116 251 S CA -0.794 57.349 58.200 -0.095 0.000 0.992 251 S CB 1.384 64.544 63.200 -0.067 0.000 1.028 251 S HN 0.075 nan 8.310 nan 0.000 0.484 252 W N 2.292 123.586 121.300 -0.011 0.000 2.417 252 W HA 0.497 5.156 4.660 -0.001 0.000 0.315 252 W C 0.695 177.207 176.519 -0.011 0.000 1.045 252 W CA -0.550 56.788 57.345 -0.012 0.000 1.221 252 W CB 1.295 30.747 29.460 -0.013 0.000 1.309 252 W HN 0.660 nan 8.180 nan 0.000 0.453 253 T N -1.388 113.270 114.554 0.174 0.000 2.927 253 T HA 0.278 4.628 4.350 -0.000 0.000 0.281 253 T C 0.924 175.702 174.700 0.130 0.000 0.998 253 T CA -0.786 61.379 62.100 0.109 0.000 1.019 253 T CB 1.437 70.331 68.868 0.043 0.000 1.061 253 T HN 0.206 nan 8.240 nan 0.000 0.518 254 V N 1.876 121.839 119.914 0.082 0.000 2.278 254 V HA -0.248 3.872 4.120 -0.000 0.000 0.251 254 V C 2.868 179.002 176.094 0.065 0.000 1.062 254 V CA 2.617 64.955 62.300 0.063 0.000 1.038 254 V CB -1.337 30.509 31.823 0.037 0.000 0.646 254 V HN 1.033 nan 8.190 nan 0.000 0.447 255 N N 0.251 118.984 118.700 0.054 0.000 2.149 255 N HA -0.194 4.546 4.740 -0.000 0.000 0.188 255 N C 1.459 177.014 175.510 0.076 0.000 1.019 255 N CA 1.840 54.917 53.050 0.045 0.000 0.857 255 N CB -0.263 38.238 38.487 0.023 0.000 0.997 255 N HN 0.499 nan 8.380 nan 0.000 0.426 256 D N -0.217 120.256 120.400 0.121 0.000 2.144 256 D HA -0.048 4.592 4.640 -0.000 0.000 0.200 256 D C 1.912 178.404 176.300 0.322 0.000 0.978 256 D CA 0.789 54.919 54.000 0.217 0.000 0.833 256 D CB -0.087 40.859 40.800 0.244 0.000 0.961 256 D HN 0.452 nan 8.370 nan 0.000 0.470 257 I N 0.737 121.453 120.570 0.243 0.000 2.353 257 I HA -0.203 3.967 4.170 -0.000 0.000 0.248 257 I C 2.423 178.569 176.117 0.049 0.000 1.119 257 I CA 0.740 62.102 61.300 0.104 0.000 1.417 257 I CB -0.209 37.809 38.000 0.029 0.000 1.078 257 I HN -0.091 nan 8.210 nan 0.000 0.421 258 Q N 1.005 120.838 119.800 0.054 0.000 2.084 258 Q HA -0.225 4.115 4.340 -0.000 0.000 0.202 258 Q C 2.213 178.233 176.000 0.034 0.000 0.978 258 Q CA 1.540 57.362 55.803 0.031 0.000 0.844 258 Q CB -0.081 28.672 28.738 0.026 0.000 0.898 258 Q HN 0.444 nan 8.270 nan 0.000 0.426 259 K N 0.586 121.018 120.400 0.054 0.000 2.025 259 K HA -0.080 4.240 4.320 -0.000 0.000 0.207 259 K C 2.088 178.722 176.600 0.056 0.000 1.049 259 K CA 0.748 57.062 56.287 0.045 0.000 0.933 259 K CB -0.163 32.367 32.500 0.050 0.000 0.714 259 K HN 0.145 nan 8.250 nan 0.000 0.438 260 L N 0.976 122.254 121.223 0.093 0.000 1.989 260 L HA -0.243 4.096 4.340 -0.000 0.000 0.211 260 L C 2.145 179.027 176.870 0.020 0.000 1.071 260 L CA 1.570 56.452 54.840 0.070 0.000 0.749 260 L CB -0.342 41.745 42.059 0.048 0.000 0.890 260 L HN 0.055 nan 8.230 nan 0.000 0.431 261 V N 0.212 120.128 119.914 0.003 0.000 2.324 261 V HA -0.283 3.837 4.120 -0.000 0.000 0.250 261 V C 2.636 178.747 176.094 0.029 0.000 1.060 261 V CA 2.015 64.314 62.300 -0.002 0.000 1.042 261 V CB -1.281 30.535 31.823 -0.011 0.000 0.650 261 V HN 0.684 nan 8.190 nan 0.000 0.450 262 G N -0.743 108.078 108.800 0.035 0.000 2.422 262 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.218 262 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.218 262 G C 1.644 176.598 174.900 0.090 0.000 1.140 262 G CA 0.549 45.680 45.100 0.052 0.000 0.775 262 G HN 0.465 nan 8.290 nan 0.000 0.545 263 K N -0.182 120.260 120.400 0.070 0.000 2.155 263 K HA 0.166 4.486 4.320 -0.000 0.000 0.203 263 K C 2.430 179.104 176.600 0.124 0.000 1.052 263 K CA 0.350 56.699 56.287 0.102 0.000 0.948 263 K CB -0.179 32.355 32.500 0.056 0.000 0.728 263 K HN 0.289 nan 8.250 nan 0.000 0.448 264 L N 1.164 122.429 121.223 0.069 0.000 2.109 264 L HA -0.136 4.204 4.340 -0.000 0.000 0.207 264 L C 1.909 178.822 176.870 0.072 0.000 1.086 264 L CA 0.742 55.605 54.840 0.039 0.000 0.760 264 L CB -0.359 41.699 42.059 -0.002 0.000 0.910 264 L HN 0.164 nan 8.230 nan 0.000 0.437 265 N N -0.498 118.262 118.700 0.100 0.000 2.142 265 N HA -0.237 4.503 4.740 -0.000 0.000 0.186 265 N C 1.516 177.129 175.510 0.172 0.000 1.023 265 N CA 1.164 54.284 53.050 0.117 0.000 0.852 265 N CB -0.275 38.284 38.487 0.119 0.000 0.998 265 N HN 0.459 nan 8.380 nan 0.000 0.424 266 W N 1.939 123.256 121.300 0.028 0.000 2.355 266 W HA -0.110 4.549 4.660 -0.000 0.000 0.309 266 W C 1.986 178.568 176.519 0.106 0.000 1.206 266 W CA 1.740 59.110 57.345 0.041 0.000 1.284 266 W CB -0.222 29.229 29.460 -0.015 0.000 1.145 266 W HN 0.055 nan 8.180 nan 0.000 0.502 267 A N 0.891 123.796 122.820 0.143 0.000 1.978 267 A HA -0.273 4.047 4.320 -0.000 0.000 0.220 267 A C 1.984 179.646 177.584 0.130 0.000 1.170 267 A CA 2.575 54.691 52.037 0.132 0.000 0.636 267 A CB -1.373 17.654 19.000 0.044 0.000 0.810 267 A HN 0.419 nan 8.150 nan 0.000 0.448 268 S N -0.122 115.619 115.700 0.068 0.000 2.488 268 S HA -0.269 4.201 4.470 -0.000 0.000 0.246 268 S C 1.587 176.191 174.600 0.007 0.000 0.992 268 S CA 1.500 59.724 58.200 0.040 0.000 0.963 268 S CB -0.652 62.561 63.200 0.021 0.000 0.754 268 S HN 0.742 nan 8.310 nan 0.000 0.519 269 Q N -0.600 119.207 119.800 0.011 0.000 2.369 269 Q HA 0.266 4.605 4.340 -0.000 0.000 0.206 269 Q C 1.520 177.602 176.000 0.137 0.000 0.963 269 Q CA 1.000 56.854 55.803 0.086 0.000 0.894 269 Q CB -0.062 28.782 28.738 0.177 0.000 0.965 269 Q HN 0.674 nan 8.270 nan 0.000 0.475 270 I N -2.436 118.145 120.570 0.019 0.000 5.046 270 I HA 0.072 4.242 4.170 -0.000 0.000 0.341 270 I C -0.893 175.060 176.117 -0.274 0.000 1.257 270 I CA -0.142 61.045 61.300 -0.188 0.000 1.421 270 I CB 1.007 38.686 38.000 -0.535 0.000 1.495 270 I HN -0.121 nan 8.210 nan 0.000 0.518 271 Y N 4.691 124.935 120.300 -0.093 0.000 2.383 271 Y HA 0.472 5.023 4.550 0.001 0.000 0.344 271 Y C -2.144 173.715 175.900 -0.068 0.000 0.986 271 Y CA -2.468 55.587 58.100 -0.075 0.000 1.175 271 Y CB 0.247 38.675 38.460 -0.054 0.000 1.152 271 Y HN 0.045 nan 8.280 nan 0.000 0.511 272 P HA 0.214 nan 4.420 nan 0.000 0.282 272 P C 0.696 178.002 177.300 0.011 0.000 1.249 272 P CA 0.147 63.242 63.100 -0.008 0.000 0.806 272 P CB 1.548 33.228 31.700 -0.033 0.000 0.984 273 G N 1.670 110.467 108.800 -0.006 0.000 2.179 273 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.260 273 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.260 273 G C 0.296 175.193 174.900 -0.005 0.000 0.977 273 G CA -0.408 44.688 45.100 -0.007 0.000 0.641 273 G HN 0.482 nan 8.290 nan 0.000 0.533 274 I N 0.980 121.554 120.570 0.007 0.000 2.775 274 I HA 0.169 4.339 4.170 -0.000 0.000 0.290 274 I C 0.848 176.957 176.117 -0.013 0.000 1.203 274 I CA 1.000 62.299 61.300 -0.002 0.000 1.433 274 I CB 0.525 38.532 38.000 0.012 0.000 1.354 274 I HN 0.161 nan 8.210 nan 0.000 0.579 275 K N 4.408 124.792 120.400 -0.027 0.000 2.328 275 K HA 0.564 4.884 4.320 -0.000 0.000 0.246 275 K C -0.043 176.532 176.600 -0.042 0.000 0.955 275 K CA -0.607 55.659 56.287 -0.035 0.000 0.817 275 K CB 2.956 35.428 32.500 -0.047 0.000 1.208 275 K HN 0.300 nan 8.250 nan 0.000 0.432 276 V N 1.756 121.645 119.914 -0.041 0.000 3.356 276 V HA -0.065 4.055 4.120 -0.000 0.000 0.274 276 V C 1.773 177.835 176.094 -0.053 0.000 1.631 276 V CA 0.126 62.398 62.300 -0.046 0.000 1.025 276 V CB 0.374 32.181 31.823 -0.026 0.000 0.840 276 V HN 0.731 nan 8.190 nan 0.000 0.419 277 R N 0.631 121.100 120.500 -0.051 0.000 2.091 277 R HA -0.194 4.146 4.340 -0.000 0.000 0.238 277 R C 1.541 177.806 176.300 -0.058 0.000 1.136 277 R CA 1.953 58.021 56.100 -0.052 0.000 0.959 277 R CB -0.417 29.852 30.300 -0.052 0.000 0.856 277 R HN 0.447 nan 8.270 nan 0.000 0.437 278 Q N 0.529 120.288 119.800 -0.067 0.000 2.083 278 Q HA 0.006 4.346 4.340 -0.000 0.000 0.198 278 Q C 2.284 178.232 176.000 -0.085 0.000 0.969 278 Q CA 0.647 56.406 55.803 -0.073 0.000 0.838 278 Q CB -0.250 28.442 28.738 -0.077 0.000 0.900 278 Q HN 0.250 nan 8.270 nan 0.000 0.436 279 L N 0.198 121.360 121.223 -0.102 0.000 2.046 279 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 279 L C 2.433 179.250 176.870 -0.088 0.000 1.077 279 L CA 1.231 55.996 54.840 -0.125 0.000 0.747 279 L CB -1.355 40.617 42.059 -0.144 0.000 0.896 279 L HN 0.265 nan 8.230 nan 0.000 0.432 280 C N -0.697 118.563 119.300 -0.066 0.000 2.446 280 C HA -0.140 4.320 4.460 -0.000 0.000 0.277 280 C C 2.745 177.711 174.990 -0.040 0.000 1.275 280 C CA 0.333 59.323 59.018 -0.046 0.000 1.727 280 C CB -0.480 27.237 27.740 -0.037 0.000 2.010 280 C HN 0.455 nan 8.230 nan 0.000 0.486 281 K N 0.528 120.902 120.400 -0.044 0.000 2.160 281 K HA -0.140 4.180 4.320 -0.000 0.000 0.206 281 K C 1.619 178.199 176.600 -0.033 0.000 1.047 281 K CA 1.231 57.496 56.287 -0.037 0.000 0.930 281 K CB -0.219 32.256 32.500 -0.041 0.000 0.720 281 K HN 0.525 nan 8.250 nan 0.000 0.450 282 L N 0.413 121.611 121.223 -0.042 0.000 2.275 282 L HA -0.132 4.208 4.340 -0.000 0.000 0.215 282 L C 1.638 178.495 176.870 -0.020 0.000 1.119 282 L CA 0.711 55.530 54.840 -0.035 0.000 0.790 282 L CB -0.230 41.798 42.059 -0.051 0.000 0.919 282 L HN 0.175 nan 8.230 nan 0.000 0.443 283 L N 0.220 121.431 121.223 -0.020 0.000 2.612 283 L HA 0.050 4.390 4.340 -0.000 0.000 0.230 283 L C 1.033 177.899 176.870 -0.007 0.000 1.140 283 L CA -0.270 54.565 54.840 -0.009 0.000 0.896 283 L CB -0.311 41.743 42.059 -0.009 0.000 1.065 283 L HN 0.254 nan 8.230 nan 0.000 0.447 284 R N -0.128 120.366 120.500 -0.010 0.000 2.357 284 R HA 0.571 4.911 4.340 -0.000 0.000 0.296 284 R C 0.826 177.123 176.300 -0.005 0.000 1.052 284 R CA 0.602 56.697 56.100 -0.008 0.000 0.988 284 R CB 1.014 31.306 30.300 -0.012 0.000 1.025 284 R HN 0.093 nan 8.270 nan 0.000 0.469 285 G N 1.289 110.088 108.800 -0.002 0.000 5.347 285 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.299 285 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.299 285 G C 0.086 174.987 174.900 0.002 0.000 1.492 285 G CA 0.041 45.141 45.100 0.000 0.000 0.991 285 G HN 1.134 nan 8.290 nan 0.000 0.749 286 T N -0.154 114.402 114.554 0.003 0.000 0.541 286 T HA 0.000 4.350 4.350 -0.000 0.000 0.774 286 T C 0.200 174.905 174.700 0.007 0.000 0.992 286 T CA 1.788 63.892 62.100 0.006 0.000 4.077 286 T CB -0.160 68.712 68.868 0.006 0.000 2.303 286 T HN 0.966 nan 8.240 nan 0.000 0.398 287 K N 0.608 121.014 120.400 0.010 0.000 2.096 287 K HA 0.865 5.185 4.320 -0.000 0.000 0.263 287 K C 0.477 177.083 176.600 0.009 0.000 1.013 287 K CA 0.099 56.392 56.287 0.009 0.000 1.218 287 K CB 0.425 32.931 32.500 0.010 0.000 1.961 287 K HN 0.888 nan 8.250 nan 0.000 0.851 288 A N 0.986 123.812 122.820 0.009 0.000 2.406 288 A HA 0.109 4.429 4.320 -0.000 0.000 0.243 288 A C 1.084 178.674 177.584 0.011 0.000 1.082 288 A CA 0.022 52.064 52.037 0.008 0.000 0.786 288 A CB -0.345 18.659 19.000 0.006 0.000 1.029 288 A HN 0.693 nan 8.150 nan 0.000 0.495 289 L N 0.877 122.106 121.223 0.010 0.000 2.263 289 L HA -0.190 4.150 4.340 -0.000 0.000 0.216 289 L C 2.503 179.382 176.870 0.015 0.000 1.111 289 L CA 2.143 56.991 54.840 0.013 0.000 0.773 289 L CB -0.561 41.502 42.059 0.007 0.000 0.906 289 L HN 1.048 nan 8.230 nan 0.000 0.439 290 T N -3.885 110.675 114.554 0.010 0.000 3.065 290 T HA -0.025 4.325 4.350 -0.000 0.000 0.252 290 T C 0.687 175.393 174.700 0.011 0.000 1.099 290 T CA -0.359 61.745 62.100 0.007 0.000 1.063 290 T CB -0.097 68.771 68.868 -0.000 0.000 0.948 290 T HN 0.423 nan 8.240 nan 0.000 0.506 291 E N 1.837 122.047 120.200 0.016 0.000 2.338 291 E HA 0.373 4.723 4.350 -0.000 0.000 0.272 291 E C -0.666 175.953 176.600 0.033 0.000 1.029 291 E CA -0.784 55.628 56.400 0.020 0.000 0.872 291 E CB 0.991 30.701 29.700 0.017 0.000 1.015 291 E HN 0.040 nan 8.360 nan 0.000 0.417 292 V N 5.548 125.481 119.914 0.032 0.000 2.572 292 V HA 0.096 4.216 4.120 -0.000 0.000 0.291 292 V C 0.227 176.357 176.094 0.059 0.000 1.039 292 V CA -0.168 62.162 62.300 0.051 0.000 1.055 292 V CB 0.536 32.382 31.823 0.037 0.000 0.969 292 V HN 0.657 nan 8.190 nan 0.000 0.482 293 I N 6.704 127.328 120.570 0.089 0.000 2.382 293 I HA 0.386 4.556 4.170 -0.000 0.000 0.286 293 I C -2.414 173.753 176.117 0.083 0.000 1.002 293 I CA -2.290 59.052 61.300 0.071 0.000 1.135 293 I CB 1.574 39.609 38.000 0.057 0.000 1.288 293 I HN 0.418 nan 8.210 nan 0.000 0.448 294 P HA 0.207 nan 4.420 nan 0.000 0.271 294 P C -0.357 176.959 177.300 0.026 0.000 1.220 294 P CA -0.242 62.889 63.100 0.051 0.000 0.768 294 P CB 0.620 32.338 31.700 0.030 0.000 0.848 295 L N 2.644 123.880 121.223 0.022 0.000 2.369 295 L HA 0.129 4.468 4.340 -0.000 0.000 0.279 295 L C 1.387 178.236 176.870 -0.035 0.000 1.108 295 L CA -0.116 54.699 54.840 -0.043 0.000 0.852 295 L CB 0.323 42.328 42.059 -0.091 0.000 1.169 295 L HN 0.434 nan 8.230 nan 0.000 0.452 296 T N 1.794 116.321 114.554 -0.045 0.000 2.788 296 T HA -0.102 4.248 4.350 -0.000 0.000 0.333 296 T C 1.315 175.989 174.700 -0.042 0.000 1.090 296 T CA 0.276 62.354 62.100 -0.037 0.000 1.094 296 T CB 0.602 69.445 68.868 -0.042 0.000 0.999 296 T HN 0.831 nan 8.240 nan 0.000 0.549 297 E N 1.166 121.346 120.200 -0.033 0.000 2.241 297 E HA -0.345 4.005 4.350 -0.000 0.000 0.244 297 E C 1.813 178.388 176.600 -0.041 0.000 1.070 297 E CA 2.740 59.121 56.400 -0.031 0.000 0.998 297 E CB -0.219 29.464 29.700 -0.027 0.000 0.879 297 E HN 0.801 nan 8.360 nan 0.000 0.501 298 E N -0.016 120.156 120.200 -0.046 0.000 2.113 298 E HA -0.312 4.038 4.350 -0.000 0.000 0.210 298 E C 1.878 178.436 176.600 -0.070 0.000 1.040 298 E CA 1.754 58.122 56.400 -0.054 0.000 0.847 298 E CB -0.621 29.048 29.700 -0.052 0.000 0.755 298 E HN 0.482 nan 8.360 nan 0.000 0.459 299 A N 1.102 123.873 122.820 -0.082 0.000 1.908 299 A HA -0.274 4.046 4.320 -0.000 0.000 0.218 299 A C 2.055 179.561 177.584 -0.130 0.000 1.181 299 A CA 1.797 53.764 52.037 -0.116 0.000 0.627 299 A CB -0.472 18.447 19.000 -0.136 0.000 0.818 299 A HN 0.193 nan 8.150 nan 0.000 0.445 300 E N -0.394 119.744 120.200 -0.103 0.000 2.110 300 E HA -0.150 4.200 4.350 -0.000 0.000 0.193 300 E C 2.052 178.609 176.600 -0.072 0.000 0.988 300 E CA 0.853 57.200 56.400 -0.089 0.000 0.804 300 E CB -0.344 29.325 29.700 -0.053 0.000 0.745 300 E HN 0.650 nan 8.360 nan 0.000 0.458 301 L N 1.049 122.235 121.223 -0.062 0.000 2.027 301 L HA -0.192 4.148 4.340 -0.000 0.000 0.206 301 L C 2.553 179.386 176.870 -0.061 0.000 1.074 301 L CA 1.442 56.251 54.840 -0.053 0.000 0.745 301 L CB -0.245 41.786 42.059 -0.046 0.000 0.898 301 L HN 0.163 nan 8.230 nan 0.000 0.433 302 E N -0.014 120.142 120.200 -0.074 0.000 2.070 302 E HA -0.292 4.058 4.350 -0.000 0.000 0.197 302 E C 2.387 178.934 176.600 -0.089 0.000 1.004 302 E CA 1.401 57.753 56.400 -0.079 0.000 0.805 302 E CB -0.108 29.538 29.700 -0.089 0.000 0.744 302 E HN 0.474 nan 8.360 nan 0.000 0.451 303 L N 0.150 121.305 121.223 -0.114 0.000 2.042 303 L HA -0.212 4.128 4.340 -0.000 0.000 0.210 303 L C 2.484 179.308 176.870 -0.075 0.000 1.076 303 L CA 1.443 56.209 54.840 -0.123 0.000 0.749 303 L CB -0.459 41.497 42.059 -0.173 0.000 0.893 303 L HN 0.245 nan 8.230 nan 0.000 0.432 304 A N -0.739 122.045 122.820 -0.059 0.000 1.877 304 A HA -0.270 4.050 4.320 -0.000 0.000 0.216 304 A C 2.163 179.725 177.584 -0.037 0.000 1.186 304 A CA 1.748 53.763 52.037 -0.037 0.000 0.620 304 A CB -0.593 18.390 19.000 -0.029 0.000 0.822 304 A HN 0.499 nan 8.150 nan 0.000 0.443 305 E N -0.236 119.938 120.200 -0.042 0.000 2.085 305 E HA -0.226 4.124 4.350 -0.000 0.000 0.194 305 E C 1.725 178.301 176.600 -0.040 0.000 0.994 305 E CA 1.310 57.687 56.400 -0.038 0.000 0.801 305 E CB -0.124 29.551 29.700 -0.041 0.000 0.743 305 E HN 0.554 nan 8.360 nan 0.000 0.453 306 N N 0.526 119.195 118.700 -0.052 0.000 2.120 306 N HA -0.124 4.616 4.740 -0.000 0.000 0.188 306 N C 1.766 177.238 175.510 -0.065 0.000 1.024 306 N CA 0.847 53.862 53.050 -0.060 0.000 0.852 306 N CB -0.280 38.164 38.487 -0.072 0.000 1.003 306 N HN 0.149 nan 8.380 nan 0.000 0.424 307 R N 0.631 121.100 120.500 -0.052 0.000 2.091 307 R HA -0.159 4.181 4.340 -0.000 0.000 0.238 307 R C 1.977 178.254 176.300 -0.038 0.000 1.136 307 R CA 1.346 57.420 56.100 -0.042 0.000 0.959 307 R CB -0.197 30.090 30.300 -0.020 0.000 0.856 307 R HN 0.313 nan 8.270 nan 0.000 0.437 308 E N 1.270 121.453 120.200 -0.028 0.000 2.077 308 E HA -0.147 4.203 4.350 -0.000 0.000 0.193 308 E C 1.796 178.392 176.600 -0.007 0.000 0.989 308 E CA 1.267 57.658 56.400 -0.015 0.000 0.800 308 E CB -0.233 29.458 29.700 -0.015 0.000 0.746 308 E HN 0.299 nan 8.360 nan 0.000 0.452 309 I N 0.223 120.787 120.570 -0.011 0.000 2.286 309 I HA -0.246 3.924 4.170 -0.000 0.000 0.248 309 I C 2.156 178.288 176.117 0.026 0.000 1.115 309 I CA 0.976 62.291 61.300 0.024 0.000 1.392 309 I CB -0.184 37.828 38.000 0.021 0.000 1.065 309 I HN 0.187 nan 8.210 nan 0.000 0.418 310 L N 0.635 121.796 121.223 -0.104 0.000 2.418 310 L HA -0.044 4.296 4.340 -0.000 0.000 0.218 310 L C 0.870 177.687 176.870 -0.089 0.000 1.125 310 L CA 0.238 54.922 54.840 -0.260 0.000 0.835 310 L CB -0.252 41.606 42.059 -0.335 0.000 0.953 310 L HN 0.203 nan 8.230 nan 0.000 0.454 311 K N 1.685 122.075 120.400 -0.017 0.000 2.322 311 K HA 0.229 4.549 4.320 -0.000 0.000 0.283 311 K C -0.159 176.477 176.600 0.060 0.000 1.042 311 K CA -0.311 55.985 56.287 0.015 0.000 0.958 311 K CB 0.665 33.171 32.500 0.010 0.000 0.984 311 K HN 0.072 nan 8.250 nan 0.000 0.473 312 E N 1.019 121.265 120.200 0.076 0.000 7.514 312 E HA -0.077 4.273 4.350 -0.000 0.000 0.281 312 E C -2.698 174.005 176.600 0.171 0.000 0.789 312 E CA -0.590 55.867 56.400 0.094 0.000 1.498 312 E CB -1.209 28.529 29.700 0.063 0.000 0.911 312 E HN 0.525 nan 8.360 nan 0.000 0.262 313 P HA 0.366 nan 4.420 nan 0.000 0.272 313 P C -0.571 176.790 177.300 0.102 0.000 1.230 313 P CA -0.494 62.732 63.100 0.210 0.000 0.788 313 P CB 0.768 32.612 31.700 0.240 0.000 0.949 314 V N 2.020 121.881 119.914 -0.089 0.000 2.841 314 V HA 0.393 4.513 4.120 -0.000 0.000 0.310 314 V C -0.649 175.263 176.094 -0.303 0.000 1.090 314 V CA -0.473 61.652 62.300 -0.292 0.000 0.930 314 V CB 1.899 33.289 31.823 -0.721 0.000 1.014 314 V HN 0.592 nan 8.190 nan 0.000 0.425 315 H N 0.809 119.607 119.070 -0.453 0.000 2.865 315 H HA 0.806 5.363 4.556 0.001 0.000 0.372 315 H C 0.315 175.259 175.328 -0.640 0.000 1.173 315 H CA 0.106 55.830 56.048 -0.539 0.000 1.147 315 H CB 2.063 31.588 29.762 -0.394 0.000 1.805 315 H HN 0.909 nan 8.280 nan 0.000 0.553 316 G N 0.002 108.260 108.800 -0.903 0.000 2.509 316 G HA2 0.545 4.505 3.960 -0.000 0.000 0.328 316 G HA3 0.545 4.505 3.960 -0.000 0.000 0.328 316 G C -0.488 174.149 174.900 -0.438 0.000 1.194 316 G CA -0.472 44.178 45.100 -0.750 0.000 0.967 316 G HN 0.585 nan 8.290 nan 0.000 0.488 317 V N -1.944 117.905 119.914 -0.110 0.000 3.093 317 V HA 0.715 4.835 4.120 -0.000 0.000 0.320 317 V C -0.501 175.675 176.094 0.136 0.000 1.093 317 V CA -1.345 60.936 62.300 -0.033 0.000 1.016 317 V CB 1.088 32.931 31.823 0.033 0.000 1.096 317 V HN 0.571 nan 8.190 nan 0.000 0.452 318 Y N -0.225 120.252 120.300 0.296 0.000 2.418 318 Y HA 0.509 5.057 4.550 -0.003 0.000 0.327 318 Y C -0.043 176.043 175.900 0.309 0.000 1.309 318 Y CA -0.618 57.668 58.100 0.309 0.000 1.423 318 Y CB 0.451 39.043 38.460 0.219 0.000 1.423 318 Y HN 0.725 nan 8.280 nan 0.000 0.532 319 Y N 1.736 122.266 120.300 0.382 0.000 2.336 319 Y HA 0.206 4.757 4.550 0.002 0.000 0.335 319 Y C -0.455 175.526 175.900 0.135 0.000 1.046 319 Y CA -1.381 56.864 58.100 0.242 0.000 1.198 319 Y CB 0.413 39.085 38.460 0.353 0.000 1.182 319 Y HN 0.466 nan 8.280 nan 0.000 0.502 320 D N 8.595 128.825 120.400 -0.283 0.000 2.454 320 D HA 0.291 4.931 4.640 -0.000 0.000 0.225 320 D C -2.217 173.601 176.300 -0.804 0.000 1.081 320 D CA -2.505 51.261 54.000 -0.391 0.000 0.864 320 D CB 1.735 42.434 40.800 -0.168 0.000 1.040 320 D HN 0.335 nan 8.370 nan 0.000 0.517 321 P HA -0.062 nan 4.420 nan 0.000 0.234 321 P C 1.011 178.118 177.300 -0.321 0.000 1.167 321 P CA 0.567 63.190 63.100 -0.795 0.000 0.763 321 P CB 0.123 31.594 31.700 -0.382 0.000 0.835 322 S N -2.404 113.146 115.700 -0.250 0.000 2.528 322 S HA 0.124 4.594 4.470 -0.000 0.000 0.219 322 S C 0.746 175.280 174.600 -0.111 0.000 0.985 322 S CA 0.049 58.168 58.200 -0.135 0.000 0.914 322 S CB -0.408 62.729 63.200 -0.105 0.000 0.776 322 S HN 0.061 nan 8.310 nan 0.000 0.526 323 K N 1.202 121.520 120.400 -0.138 0.000 2.221 323 K HA 0.482 4.802 4.320 -0.000 0.000 0.243 323 K C -1.110 175.445 176.600 -0.076 0.000 0.968 323 K CA -0.877 55.353 56.287 -0.095 0.000 0.846 323 K CB 0.783 33.229 32.500 -0.090 0.000 1.141 323 K HN -0.014 nan 8.250 nan 0.000 0.434 324 D N 0.995 121.347 120.400 -0.079 0.000 2.361 324 D HA 0.149 4.789 4.640 -0.000 0.000 0.239 324 D C -0.445 175.759 176.300 -0.159 0.000 1.200 324 D CA 0.140 54.078 54.000 -0.102 0.000 0.915 324 D CB 0.561 41.297 40.800 -0.106 0.000 1.170 324 D HN 0.194 nan 8.370 nan 0.000 0.444 325 L N 1.695 122.773 121.223 -0.241 0.000 2.317 325 L HA 0.412 4.752 4.340 -0.000 0.000 0.281 325 L C -0.428 176.184 176.870 -0.430 0.000 1.024 325 L CA -0.798 53.806 54.840 -0.394 0.000 0.810 325 L CB 1.437 43.154 42.059 -0.570 0.000 1.240 325 L HN 0.113 nan 8.230 nan 0.000 0.427 326 I N 2.572 122.823 120.570 -0.532 0.000 2.406 326 I HA 0.576 4.746 4.170 -0.000 0.000 0.290 326 I C 0.068 175.784 176.117 -0.668 0.000 0.999 326 I CA -0.567 60.361 61.300 -0.619 0.000 1.124 326 I CB 1.612 39.142 38.000 -0.783 0.000 1.289 326 I HN 0.589 nan 8.210 nan 0.000 0.441 327 A N 6.115 128.600 122.820 -0.558 0.000 2.331 327 A HA 0.718 5.038 4.320 -0.000 0.000 0.320 327 A C -0.328 177.184 177.584 -0.120 0.000 1.138 327 A CA -0.559 51.261 52.037 -0.362 0.000 0.790 327 A CB 1.194 19.901 19.000 -0.488 0.000 1.206 327 A HN 0.749 nan 8.150 nan 0.000 0.470 328 E N 1.361 121.578 120.200 0.029 0.000 2.212 328 E HA 0.659 5.009 4.350 -0.000 0.000 0.268 328 E C -1.258 175.461 176.600 0.199 0.000 0.902 328 E CA -0.449 56.027 56.400 0.127 0.000 0.779 328 E CB 2.229 32.031 29.700 0.169 0.000 1.172 328 E HN 0.629 nan 8.360 nan 0.000 0.409 329 I N 2.021 122.703 120.570 0.186 0.000 2.582 329 I HA 0.271 4.441 4.170 -0.000 0.000 0.292 329 I C -0.983 175.266 176.117 0.221 0.000 1.066 329 I CA -0.917 60.523 61.300 0.234 0.000 1.053 329 I CB 2.038 40.146 38.000 0.180 0.000 1.241 329 I HN 0.329 nan 8.210 nan 0.000 0.421 330 Q N 4.026 123.972 119.800 0.243 0.000 2.375 330 Q HA 0.411 4.751 4.340 -0.000 0.000 0.271 330 Q C -0.814 175.263 176.000 0.127 0.000 1.074 330 Q CA -0.852 55.049 55.803 0.163 0.000 0.808 330 Q CB 2.558 31.337 28.738 0.068 0.000 1.327 330 Q HN 0.345 nan 8.270 nan 0.000 0.441 331 K N 1.620 121.988 120.400 -0.054 0.000 2.297 331 K HA 0.102 4.422 4.320 -0.000 0.000 0.286 331 K C 0.021 176.409 176.600 -0.352 0.000 1.053 331 K CA 0.273 56.214 56.287 -0.577 0.000 0.940 331 K CB 0.627 32.733 32.500 -0.657 0.000 1.019 331 K HN 0.687 nan 8.250 nan 0.000 0.475 332 Q N 2.028 121.596 119.800 -0.386 0.000 2.352 332 Q HA 0.167 4.507 4.340 -0.000 0.000 0.212 332 Q C 0.187 176.056 176.000 -0.218 0.000 0.888 332 Q CA 0.176 55.849 55.803 -0.216 0.000 0.934 332 Q CB 0.957 29.603 28.738 -0.153 0.000 1.093 332 Q HN 0.972 nan 8.270 nan 0.000 0.523 333 G N -0.314 108.300 108.800 -0.310 0.000 2.345 333 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.285 333 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.285 333 G C -1.634 173.108 174.900 -0.264 0.000 1.297 333 G CA -0.929 44.036 45.100 -0.225 0.000 0.875 333 G HN -0.046 nan 8.290 nan 0.000 0.506 334 Q N 0.716 120.415 119.800 -0.169 0.000 2.263 334 Q HA 0.391 4.730 4.340 -0.000 0.000 0.270 334 Q C 1.402 177.337 176.000 -0.108 0.000 1.104 334 Q CA 1.527 57.252 55.803 -0.130 0.000 0.909 334 Q CB 0.294 28.976 28.738 -0.093 0.000 1.214 334 Q HN 2.130 nan 8.270 nan 0.000 0.400 335 G N 3.684 112.442 108.800 -0.069 0.000 2.189 335 G HA2 -0.303 3.656 3.960 -0.000 0.000 0.267 335 G HA3 -0.303 3.656 3.960 -0.000 0.000 0.267 335 G C 0.067 174.985 174.900 0.028 0.000 0.975 335 G CA 0.239 45.380 45.100 0.068 0.000 0.644 335 G HN 0.601 nan 8.290 nan 0.000 0.537 336 Q N -0.873 118.778 119.800 -0.248 0.000 2.307 336 Q HA 0.573 4.913 4.340 -0.000 0.000 0.262 336 Q C -0.821 174.898 176.000 -0.469 0.000 0.961 336 Q CA -0.648 55.032 55.803 -0.203 0.000 0.882 336 Q CB 1.062 29.698 28.738 -0.171 0.000 1.264 336 Q HN 0.393 nan 8.270 nan 0.000 0.446 337 W N 0.670 122.048 121.300 0.130 0.000 2.864 337 W HA 0.564 5.224 4.660 -0.001 0.000 0.343 337 W C -0.144 176.478 176.519 0.172 0.000 1.109 337 W CA -0.614 56.831 57.345 0.166 0.000 1.192 337 W CB 2.138 31.745 29.460 0.246 0.000 1.426 337 W HN 0.303 nan 8.180 nan 0.000 0.529 338 T N 1.768 116.528 114.554 0.344 0.000 2.912 338 T HA 0.649 4.999 4.350 -0.000 0.000 0.299 338 T C -1.646 173.232 174.700 0.296 0.000 1.052 338 T CA -0.481 61.750 62.100 0.218 0.000 0.996 338 T CB 0.671 69.586 68.868 0.079 0.000 1.070 338 T HN 0.338 nan 8.240 nan 0.000 0.465 339 Y N 1.408 121.791 120.300 0.139 0.000 2.615 339 Y HA 0.877 5.426 4.550 -0.001 0.000 0.341 339 Y C -1.277 174.684 175.900 0.102 0.000 1.089 339 Y CA -1.251 56.922 58.100 0.122 0.000 1.049 339 Y CB 1.354 39.890 38.460 0.126 0.000 1.296 339 Y HN 0.485 nan 8.280 nan 0.000 0.470 340 Q N 1.840 121.808 119.800 0.280 0.000 2.379 340 Q HA 0.673 5.013 4.340 -0.000 0.000 0.278 340 Q C -1.595 174.530 176.000 0.208 0.000 1.068 340 Q CA -0.594 55.323 55.803 0.191 0.000 0.816 340 Q CB 3.352 32.199 28.738 0.183 0.000 1.387 340 Q HN 0.737 nan 8.270 nan 0.000 0.413 341 I N 2.762 123.435 120.570 0.173 0.000 2.436 341 I HA 0.577 4.747 4.170 -0.000 0.000 0.289 341 I C -1.108 175.031 176.117 0.037 0.000 1.010 341 I CA -1.108 60.195 61.300 0.005 0.000 1.098 341 I CB 0.807 38.823 38.000 0.027 0.000 1.266 341 I HN 0.677 nan 8.210 nan 0.000 0.434 342 Y N 3.109 123.372 120.300 -0.061 0.000 2.644 342 Y HA 0.533 5.083 4.550 -0.000 0.000 0.338 342 Y C -0.030 175.792 175.900 -0.128 0.000 1.119 342 Y CA -0.962 57.101 58.100 -0.062 0.000 1.060 342 Y CB 1.225 39.680 38.460 -0.008 0.000 1.294 342 Y HN 0.444 nan 8.280 nan 0.000 0.472 343 Q N -0.308 119.590 119.800 0.162 0.000 2.431 343 Q HA 0.238 4.578 4.340 -0.000 0.000 0.244 343 Q C -0.556 175.521 176.000 0.129 0.000 0.880 343 Q CA 0.175 56.011 55.803 0.054 0.000 0.954 343 Q CB 1.170 29.902 28.738 -0.010 0.000 1.105 343 Q HN 0.715 nan 8.270 nan 0.000 0.558 344 E N 1.648 121.917 120.200 0.116 0.000 2.191 344 E HA 0.263 4.613 4.350 -0.000 0.000 0.263 344 E C -2.621 173.804 176.600 -0.290 0.000 0.881 344 E CA -2.595 53.773 56.400 -0.053 0.000 0.757 344 E CB 1.675 31.328 29.700 -0.078 0.000 1.147 344 E HN -0.140 nan 8.360 nan 0.000 0.414 345 P HA -0.126 nan 4.420 nan 0.000 0.253 345 P C -0.773 175.782 177.300 -1.240 0.000 1.159 345 P CA 0.742 63.001 63.100 -1.401 0.000 0.779 345 P CB -0.171 30.793 31.700 -1.226 0.000 0.745 346 F N 1.060 120.443 119.950 -0.946 0.000 2.582 346 F HA -0.207 4.320 4.527 0.000 0.000 0.350 346 F C 0.567 176.205 175.800 -0.269 0.000 0.615 346 F CA 0.193 57.888 58.000 -0.508 0.000 1.488 346 F CB -2.270 36.536 39.000 -0.324 0.000 1.958 346 F HN 0.330 nan 8.300 nan 0.000 0.294 347 K N 2.017 122.351 120.400 -0.111 0.000 2.290 347 K HA 0.247 4.567 4.320 -0.000 0.000 0.250 347 K C 0.169 176.805 176.600 0.060 0.000 1.092 347 K CA -0.526 55.745 56.287 -0.028 0.000 1.006 347 K CB 0.300 32.775 32.500 -0.042 0.000 1.549 347 K HN 0.006 nan 8.250 nan 0.000 0.436 348 N N 2.490 121.233 118.700 0.072 0.000 2.447 348 N HA -0.046 4.693 4.740 -0.000 0.000 0.263 348 N C 1.094 176.676 175.510 0.119 0.000 1.226 348 N CA 0.066 53.191 53.050 0.125 0.000 0.906 348 N CB 0.748 39.275 38.487 0.066 0.000 1.060 348 N HN 0.282 nan 8.380 nan 0.000 0.468 349 L N 2.172 123.519 121.223 0.208 0.000 2.095 349 L HA 0.012 4.352 4.340 -0.000 0.000 0.204 349 L C 1.060 178.228 176.870 0.496 0.000 1.080 349 L CA 1.488 56.541 54.840 0.354 0.000 0.759 349 L CB -0.250 42.026 42.059 0.363 0.000 0.914 349 L HN 0.703 nan 8.230 nan 0.000 0.439 350 K N -2.444 118.173 120.400 0.362 0.000 2.615 350 K HA 0.519 4.839 4.320 -0.000 0.000 0.291 350 K C -0.950 175.747 176.600 0.162 0.000 1.017 350 K CA -0.525 55.972 56.287 0.349 0.000 0.882 350 K CB 1.448 34.168 32.500 0.368 0.000 1.522 350 K HN -0.133 nan 8.250 nan 0.000 0.412 351 T N -2.059 112.525 114.554 0.050 0.000 2.888 351 T HA 0.913 5.263 4.350 -0.000 0.000 0.288 351 T C 0.091 174.558 174.700 -0.389 0.000 1.063 351 T CA -0.383 61.626 62.100 -0.152 0.000 1.010 351 T CB 1.780 70.577 68.868 -0.119 0.000 1.214 351 T HN 1.069 nan 8.240 nan 0.000 0.533 352 G N -0.034 108.269 108.800 -0.828 0.000 2.506 352 G HA2 0.619 4.579 3.960 -0.000 0.000 0.292 352 G HA3 0.619 4.579 3.960 -0.000 0.000 0.292 352 G C -2.065 172.474 174.900 -0.602 0.000 1.425 352 G CA -1.037 43.559 45.100 -0.841 0.000 0.788 352 G HN 1.003 nan 8.290 nan 0.000 0.490 353 K N -1.418 118.935 120.400 -0.078 0.000 2.512 353 K HA 0.783 5.103 4.320 -0.000 0.000 0.263 353 K C -2.042 174.785 176.600 0.379 0.000 0.966 353 K CA -1.155 55.231 56.287 0.165 0.000 0.851 353 K CB 2.825 35.376 32.500 0.085 0.000 1.395 353 K HN 0.803 nan 8.250 nan 0.000 0.440 354 Y N 0.014 120.485 120.300 0.285 0.000 2.504 354 Y HA 0.593 5.143 4.550 -0.000 0.000 0.344 354 Y C -0.930 175.130 175.900 0.266 0.000 1.023 354 Y CA -0.256 57.994 58.100 0.249 0.000 1.020 354 Y CB 2.368 40.958 38.460 0.218 0.000 1.282 354 Y HN 0.824 nan 8.280 nan 0.000 0.454 355 A N 4.485 126.998 122.820 -0.513 0.000 1.937 355 A HA 0.291 4.610 4.320 -0.000 0.000 0.198 355 A C 0.512 177.767 177.584 -0.547 0.000 1.635 355 A CA -0.291 51.550 52.037 -0.326 0.000 1.111 355 A CB 0.013 18.932 19.000 -0.135 0.000 1.165 355 A HN 0.632 nan 8.150 nan 0.000 0.460 356 R N -0.038 119.998 120.500 -0.774 0.000 3.033 356 R HA -0.172 4.168 4.340 -0.000 0.000 0.215 356 R C -0.545 175.651 176.300 -0.175 0.000 0.815 356 R CA 0.690 56.527 56.100 -0.440 0.000 1.002 356 R CB -0.143 29.956 30.300 -0.336 0.000 0.962 356 R HN 0.413 nan 8.270 nan 0.000 0.382 357 M N 5.579 125.138 119.600 -0.069 0.000 2.063 357 M HA 0.189 4.669 4.480 -0.000 0.000 0.348 357 M C -0.289 176.019 176.300 0.013 0.000 1.180 357 M CA 0.128 55.424 55.300 -0.008 0.000 1.059 357 M CB 0.640 33.229 32.600 -0.018 0.000 1.544 357 M HN 0.309 nan 8.290 nan 0.000 0.447 358 R N 4.048 124.576 120.500 0.046 0.000 2.369 358 R HA 0.616 4.956 4.340 -0.000 0.000 0.310 358 R C 0.060 176.385 176.300 0.042 0.000 1.141 358 R CA 0.387 56.519 56.100 0.054 0.000 1.116 358 R CB 0.114 30.465 30.300 0.084 0.000 1.135 358 R HN 1.073 nan 8.270 nan 0.000 0.529 359 G N 0.860 109.670 108.800 0.016 0.000 2.396 359 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.254 359 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.254 359 G C -0.065 174.777 174.900 -0.096 0.000 1.248 359 G CA -0.265 44.828 45.100 -0.012 0.000 1.033 359 G HN 0.473 nan 8.290 nan 0.000 0.502 360 A N -1.474 121.190 122.820 -0.260 0.000 2.055 360 A HA 0.536 4.856 4.320 -0.000 0.000 0.205 360 A C 0.768 178.023 177.584 -0.549 0.000 1.235 360 A CA 1.408 53.160 52.037 -0.476 0.000 0.822 360 A CB 0.057 18.638 19.000 -0.698 0.000 0.903 360 A HN 1.040 nan 8.150 nan 0.000 0.473 361 H N -0.878 118.230 119.070 0.063 0.000 2.538 361 H HA 0.659 5.215 4.556 -0.000 0.000 0.353 361 H C -0.935 174.427 175.328 0.057 0.000 1.109 361 H CA -0.047 56.033 56.048 0.053 0.000 1.192 361 H CB 1.496 31.292 29.762 0.056 0.000 1.555 361 H HN 0.128 nan 8.280 nan 0.000 0.518 362 T N 1.544 116.173 114.554 0.125 0.000 2.731 362 T HA 0.372 4.722 4.350 -0.000 0.000 0.300 362 T C -1.279 173.424 174.700 0.005 0.000 1.283 362 T CA -0.873 61.261 62.100 0.056 0.000 1.005 362 T CB 1.820 70.711 68.868 0.038 0.000 1.420 362 T HN 0.891 nan 8.240 nan 0.000 0.503 363 N N 0.005 118.656 118.700 -0.083 0.000 2.525 363 N HA 0.439 5.179 4.740 -0.000 0.000 0.270 363 N C -0.163 175.276 175.510 -0.118 0.000 1.321 363 N CA -0.643 52.328 53.050 -0.131 0.000 0.797 363 N CB 0.690 39.010 38.487 -0.279 0.000 1.529 363 N HN 0.342 nan 8.380 nan 0.000 0.491 364 D N -0.156 120.233 120.400 -0.019 0.000 2.178 364 D HA -0.063 4.577 4.640 -0.000 0.000 0.201 364 D C 1.620 177.846 176.300 -0.123 0.000 0.980 364 D CA 0.909 54.983 54.000 0.123 0.000 0.842 364 D CB -0.060 40.895 40.800 0.258 0.000 0.948 364 D HN 0.371 nan 8.370 nan 0.000 0.472 365 V N 1.004 120.703 119.914 -0.358 0.000 2.287 365 V HA -0.251 3.869 4.120 -0.000 0.000 0.248 365 V C 2.305 178.063 176.094 -0.560 0.000 1.053 365 V CA 1.609 63.571 62.300 -0.562 0.000 1.027 365 V CB -0.341 30.887 31.823 -0.991 0.000 0.646 365 V HN 0.198 nan 8.190 nan 0.000 0.447 366 K N -0.500 119.541 120.400 -0.599 0.000 2.097 366 K HA -0.159 4.161 4.320 -0.000 0.000 0.205 366 K C 2.292 178.727 176.600 -0.275 0.000 1.050 366 K CA 1.267 57.341 56.287 -0.355 0.000 0.938 366 K CB -0.170 32.174 32.500 -0.260 0.000 0.718 366 K HN 0.546 nan 8.250 nan 0.000 0.442 367 Q N 0.661 120.297 119.800 -0.272 0.000 2.123 367 Q HA -0.064 4.275 4.340 -0.000 0.000 0.199 367 Q C 2.199 177.695 176.000 -0.840 0.000 0.966 367 Q CA 0.746 56.353 55.803 -0.328 0.000 0.845 367 Q CB 0.022 28.744 28.738 -0.026 0.000 0.907 367 Q HN 0.319 nan 8.270 nan 0.000 0.439 368 L N 0.625 121.288 121.223 -0.933 0.000 2.027 368 L HA -0.175 4.165 4.340 -0.000 0.000 0.206 368 L C 2.617 179.048 176.870 -0.732 0.000 1.074 368 L CA 1.986 56.196 54.840 -1.050 0.000 0.745 368 L CB -0.629 41.029 42.059 -0.669 0.000 0.898 368 L HN 0.326 nan 8.230 nan 0.000 0.433 369 T N -2.156 112.101 114.554 -0.494 0.000 2.881 369 T HA -0.214 4.136 4.350 -0.000 0.000 0.270 369 T C 1.525 175.984 174.700 -0.401 0.000 1.068 369 T CA 1.636 63.513 62.100 -0.371 0.000 1.131 369 T CB -0.128 68.702 68.868 -0.063 0.000 0.871 369 T HN 0.448 nan 8.240 nan 0.000 0.479 370 E N 0.427 120.366 120.200 -0.436 0.000 2.072 370 E HA 0.156 4.506 4.350 -0.000 0.000 0.190 370 E C 2.625 178.773 176.600 -0.753 0.000 0.982 370 E CA 0.862 57.002 56.400 -0.433 0.000 0.803 370 E CB -0.303 29.225 29.700 -0.288 0.000 0.755 370 E HN 0.648 nan 8.360 nan 0.000 0.453 371 A N 0.824 122.995 122.820 -1.081 0.000 1.908 371 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 371 A C 2.464 179.625 177.584 -0.705 0.000 1.181 371 A CA 1.301 52.659 52.037 -1.132 0.000 0.627 371 A CB -0.763 17.645 19.000 -0.986 0.000 0.818 371 A HN 0.130 nan 8.150 nan 0.000 0.445 372 V N -0.061 119.432 119.914 -0.701 0.000 2.332 372 V HA -0.301 3.819 4.120 -0.000 0.000 0.248 372 V C 2.753 178.541 176.094 -0.510 0.000 1.055 372 V CA 2.400 64.222 62.300 -0.796 0.000 1.038 372 V CB -0.814 30.354 31.823 -1.092 0.000 0.651 372 V HN 0.692 nan 8.190 nan 0.000 0.450 373 Q N 0.813 120.368 119.800 -0.408 0.000 2.084 373 Q HA -0.202 4.138 4.340 -0.000 0.000 0.202 373 Q C 2.272 178.167 176.000 -0.174 0.000 0.978 373 Q CA 1.977 57.638 55.803 -0.238 0.000 0.844 373 Q CB -0.493 28.134 28.738 -0.184 0.000 0.898 373 Q HN 0.605 nan 8.270 nan 0.000 0.426 374 K N -0.211 120.051 120.400 -0.231 0.000 2.097 374 K HA -0.118 4.201 4.320 -0.000 0.000 0.206 374 K C 1.963 178.479 176.600 -0.139 0.000 1.049 374 K CA 1.438 57.636 56.287 -0.147 0.000 0.933 374 K CB -0.208 32.201 32.500 -0.152 0.000 0.717 374 K HN 0.349 nan 8.250 nan 0.000 0.442 375 I N 0.761 121.200 120.570 -0.218 0.000 2.353 375 I HA -0.198 3.972 4.170 -0.000 0.000 0.248 375 I C 2.115 178.235 176.117 0.005 0.000 1.119 375 I CA 1.066 62.257 61.300 -0.183 0.000 1.417 375 I CB -0.290 37.556 38.000 -0.256 0.000 1.078 375 I HN 0.165 nan 8.210 nan 0.000 0.421 376 T N 0.140 114.733 114.554 0.065 0.000 2.708 376 T HA -0.174 4.176 4.350 -0.000 0.000 0.266 376 T C 1.931 176.652 174.700 0.036 0.000 1.037 376 T CA 2.108 64.266 62.100 0.097 0.000 1.146 376 T CB -0.364 68.546 68.868 0.071 0.000 0.865 376 T HN 0.347 nan 8.240 nan 0.000 0.435 377 T N 1.558 116.113 114.554 0.001 0.000 2.674 377 T HA -0.126 4.224 4.350 -0.000 0.000 0.265 377 T C 1.947 176.638 174.700 -0.015 0.000 1.039 377 T CA 1.562 63.661 62.100 -0.001 0.000 1.150 377 T CB -0.327 68.537 68.868 -0.005 0.000 0.864 377 T HN 0.588 nan 8.240 nan 0.000 0.427 378 E N 0.785 120.969 120.200 -0.027 0.000 2.085 378 E HA -0.165 4.184 4.350 -0.000 0.000 0.194 378 E C 2.298 178.837 176.600 -0.102 0.000 0.994 378 E CA 1.447 57.809 56.400 -0.063 0.000 0.801 378 E CB -0.154 29.518 29.700 -0.047 0.000 0.743 378 E HN 0.327 nan 8.360 nan 0.000 0.453 379 S N 0.527 116.232 115.700 0.010 0.000 2.359 379 S HA -0.156 4.314 4.470 -0.000 0.000 0.224 379 S C 1.895 176.535 174.600 0.066 0.000 1.035 379 S CA 1.192 59.481 58.200 0.148 0.000 1.018 379 S CB -0.207 63.118 63.200 0.209 0.000 0.876 379 S HN 0.321 nan 8.310 nan 0.000 0.448 380 I N 1.372 121.961 120.570 0.031 0.000 2.208 380 I HA -0.119 4.051 4.170 -0.000 0.000 0.245 380 I C 2.300 178.399 176.117 -0.031 0.000 1.097 380 I CA 1.048 62.361 61.300 0.021 0.000 1.363 380 I CB -1.660 36.354 38.000 0.024 0.000 1.051 380 I HN 0.151 nan 8.210 nan 0.000 0.413 381 V N 1.166 121.034 119.914 -0.076 0.000 2.295 381 V HA -0.234 3.886 4.120 -0.000 0.000 0.246 381 V C 2.435 178.395 176.094 -0.223 0.000 1.049 381 V CA 1.732 63.963 62.300 -0.115 0.000 1.024 381 V CB -0.296 31.467 31.823 -0.100 0.000 0.648 381 V HN 0.285 nan 8.190 nan 0.000 0.447 382 I N -1.957 118.359 120.570 -0.424 0.000 2.584 382 I HA -0.122 4.048 4.170 -0.000 0.000 0.255 382 I C 1.917 177.548 176.117 -0.812 0.000 1.145 382 I CA 1.301 62.123 61.300 -0.796 0.000 1.462 382 I CB -0.173 36.960 38.000 -1.445 0.000 1.102 382 I HN 0.415 nan 8.210 nan 0.000 0.433 383 W N 0.044 121.200 121.300 -0.240 0.000 2.555 383 W HA 0.362 5.021 4.660 -0.001 0.000 0.324 383 W C 1.510 177.937 176.519 -0.153 0.000 0.973 383 W CA 0.567 57.698 57.345 -0.357 0.000 1.481 383 W CB -0.009 29.080 29.460 -0.617 0.000 1.064 383 W HN 0.291 nan 8.180 nan 0.000 0.543 384 G N 2.308 111.152 108.800 0.074 0.000 2.184 384 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.264 384 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.264 384 G C 0.267 175.222 174.900 0.093 0.000 0.975 384 G CA 1.141 46.288 45.100 0.078 0.000 0.642 384 G HN 0.334 nan 8.290 nan 0.000 0.536 385 K N -0.514 119.954 120.400 0.113 0.000 2.512 385 K HA 0.716 5.036 4.320 -0.000 0.000 0.263 385 K C -0.098 176.536 176.600 0.056 0.000 0.966 385 K CA -0.272 56.062 56.287 0.079 0.000 0.851 385 K CB 1.361 33.904 32.500 0.072 0.000 1.395 385 K HN 0.369 nan 8.250 nan 0.000 0.440 386 T N -0.430 114.136 114.554 0.020 0.000 2.913 386 T HA 0.480 4.830 4.350 -0.000 0.000 0.287 386 T C -2.190 172.428 174.700 -0.137 0.000 1.008 386 T CA -1.364 60.725 62.100 -0.019 0.000 1.067 386 T CB 0.856 69.739 68.868 0.024 0.000 0.996 386 T HN 0.465 nan 8.240 nan 0.000 0.513 387 P HA 0.434 nan 4.420 nan 0.000 0.281 387 P C -0.903 176.092 177.300 -0.509 0.000 1.281 387 P CA -1.014 61.798 63.100 -0.478 0.000 0.811 387 P CB 0.764 32.039 31.700 -0.708 0.000 1.154 388 K N 0.502 120.642 120.400 -0.432 0.000 2.227 388 K HA 0.397 4.717 4.320 -0.000 0.000 0.280 388 K C -0.503 175.884 176.600 -0.355 0.000 1.041 388 K CA -0.241 55.884 56.287 -0.271 0.000 0.905 388 K CB 0.299 32.692 32.500 -0.180 0.000 1.068 388 K HN 0.345 nan 8.250 nan 0.000 0.470 389 F N 1.814 121.710 119.950 -0.089 0.000 2.399 389 F HA 0.322 4.850 4.527 0.001 0.000 0.328 389 F C 0.543 176.341 175.800 -0.004 0.000 1.084 389 F CA -0.482 57.470 58.000 -0.079 0.000 1.053 389 F CB 1.252 40.181 39.000 -0.118 0.000 1.209 389 F HN 0.143 nan 8.300 nan 0.000 0.502 390 K N 3.723 124.239 120.400 0.193 0.000 2.502 390 K HA 0.553 4.873 4.320 -0.000 0.000 0.254 390 K C -1.402 175.283 176.600 0.142 0.000 0.947 390 K CA -0.407 55.968 56.287 0.147 0.000 0.834 390 K CB 1.623 34.169 32.500 0.076 0.000 1.112 390 K HN 0.462 nan 8.250 nan 0.000 0.427 391 L N 4.183 125.509 121.223 0.172 0.000 2.346 391 L HA 0.488 4.828 4.340 -0.000 0.000 0.274 391 L C -1.950 174.991 176.870 0.118 0.000 1.007 391 L CA -2.141 52.746 54.840 0.077 0.000 0.818 391 L CB 2.008 43.980 42.059 -0.145 0.000 1.284 391 L HN 0.424 nan 8.230 nan 0.000 0.424 392 P HA 0.196 nan 4.420 nan 0.000 0.220 392 P C -0.576 176.898 177.300 0.291 0.000 1.778 392 P CA 0.331 63.529 63.100 0.163 0.000 0.912 392 P CB 0.244 32.035 31.700 0.152 0.000 1.861 393 I N -0.255 120.552 120.570 0.395 0.000 2.607 393 I HA 0.322 4.492 4.170 -0.000 0.000 0.290 393 I C -0.695 175.736 176.117 0.523 0.000 1.129 393 I CA -1.125 60.379 61.300 0.339 0.000 1.042 393 I CB 2.723 40.788 38.000 0.107 0.000 1.242 393 I HN -0.233 nan 8.210 nan 0.000 0.421 394 Q N 4.435 124.364 119.800 0.214 0.000 2.364 394 Q HA 0.110 4.450 4.340 -0.000 0.000 0.267 394 Q C 0.572 176.743 176.000 0.284 0.000 0.999 394 Q CA 0.450 56.216 55.803 -0.061 0.000 0.886 394 Q CB 1.483 30.077 28.738 -0.241 0.000 1.243 394 Q HN 0.533 nan 8.270 nan 0.000 0.415 395 K N 1.629 122.174 120.400 0.241 0.000 2.103 395 K HA -0.211 4.109 4.320 -0.000 0.000 0.207 395 K C 1.458 178.276 176.600 0.364 0.000 1.048 395 K CA 1.730 58.235 56.287 0.362 0.000 0.930 395 K CB 0.052 32.571 32.500 0.032 0.000 0.716 395 K HN 0.735 nan 8.250 nan 0.000 0.444 396 E N -0.096 120.213 120.200 0.182 0.000 2.077 396 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 396 E C 1.390 178.090 176.600 0.167 0.000 0.989 396 E CA 1.646 58.131 56.400 0.142 0.000 0.800 396 E CB 0.046 29.773 29.700 0.044 0.000 0.746 396 E HN 0.237 nan 8.360 nan 0.000 0.452 397 T N 0.157 114.808 114.554 0.162 0.000 2.684 397 T HA -0.210 4.140 4.350 -0.000 0.000 0.267 397 T C 1.100 175.949 174.700 0.249 0.000 1.036 397 T CA 1.502 63.691 62.100 0.149 0.000 1.148 397 T CB -0.568 68.363 68.868 0.105 0.000 0.863 397 T HN 0.427 nan 8.240 nan 0.000 0.436 398 W N 2.337 123.770 121.300 0.222 0.000 2.355 398 W HA -0.121 4.540 4.660 0.001 0.000 0.309 398 W C 2.504 179.308 176.519 0.474 0.000 1.206 398 W CA 1.525 59.049 57.345 0.299 0.000 1.284 398 W CB -0.213 29.436 29.460 0.316 0.000 1.145 398 W HN 0.499 nan 8.180 nan 0.000 0.502 399 E N -1.492 119.071 120.200 0.606 0.000 2.107 399 E HA -0.162 4.188 4.350 -0.000 0.000 0.191 399 E C 1.884 178.365 176.600 -0.198 0.000 0.982 399 E CA 1.913 58.547 56.400 0.391 0.000 0.809 399 E CB -0.835 29.146 29.700 0.469 0.000 0.756 399 E HN 0.049 nan 8.360 nan 0.000 0.459 400 T N 1.103 115.631 114.554 -0.043 0.000 2.622 400 T HA -0.219 4.131 4.350 -0.000 0.000 0.266 400 T C 1.200 175.799 174.700 -0.167 0.000 1.047 400 T CA 1.548 63.579 62.100 -0.116 0.000 1.159 400 T CB -0.635 68.221 68.868 -0.020 0.000 0.863 400 T HN 0.454 nan 8.240 nan 0.000 0.422 401 W N 1.105 122.261 121.300 -0.241 0.000 2.332 401 W HA -0.229 4.431 4.660 -0.000 0.000 0.321 401 W C 2.306 178.622 176.519 -0.338 0.000 1.219 401 W CA 1.851 59.016 57.345 -0.299 0.000 1.277 401 W CB -1.004 28.263 29.460 -0.322 0.000 1.161 401 W HN 0.506 nan 8.180 nan 0.000 0.476 402 W N 2.293 123.274 121.300 -0.532 0.000 2.342 402 W HA -0.196 4.464 4.660 0.000 0.000 0.297 402 W C 2.255 178.529 176.519 -0.408 0.000 1.213 402 W CA 3.083 60.060 57.345 -0.612 0.000 1.251 402 W CB -1.199 27.739 29.460 -0.870 0.000 1.136 402 W HN -0.238 nan 8.180 nan 0.000 0.526 403 T N 0.817 114.594 114.554 -1.294 0.000 2.746 403 T HA -0.206 4.144 4.350 -0.000 0.000 0.267 403 T C 1.401 175.756 174.700 -0.576 0.000 1.039 403 T CA 2.209 63.606 62.100 -1.172 0.000 1.142 403 T CB -0.147 68.088 68.868 -1.055 0.000 0.866 403 T HN 0.348 nan 8.240 nan 0.000 0.444 404 E N -1.108 118.797 120.200 -0.491 0.000 2.340 404 E HA 0.102 4.452 4.350 -0.000 0.000 0.194 404 E C 0.096 176.499 176.600 -0.328 0.000 0.996 404 E CA -0.226 55.974 56.400 -0.334 0.000 0.869 404 E CB 0.146 29.691 29.700 -0.258 0.000 0.835 404 E HN 0.407 nan 8.360 nan 0.000 0.493 405 Y N 0.421 120.259 120.300 -0.771 0.000 2.426 405 Y HA -0.068 4.482 4.550 -0.000 0.000 0.344 405 Y C 0.582 176.174 175.900 -0.514 0.000 1.256 405 Y CA -0.808 56.708 58.100 -0.974 0.000 1.451 405 Y CB 0.377 37.964 38.460 -1.456 0.000 1.342 405 Y HN 0.055 nan 8.280 nan 0.000 0.600 406 W N 0.378 121.222 121.300 -0.759 0.000 2.737 406 W HA 0.231 4.891 4.660 0.000 0.000 0.262 406 W C -0.096 176.156 176.519 -0.445 0.000 1.282 406 W CA -0.214 56.824 57.345 -0.512 0.000 1.386 406 W CB -0.347 28.859 29.460 -0.424 0.000 1.099 406 W HN 0.214 nan 8.180 nan 0.000 0.621 407 Q N 1.451 120.789 119.800 -0.769 0.000 2.259 407 Q HA 0.476 4.816 4.340 -0.000 0.000 0.246 407 Q C 0.060 176.014 176.000 -0.076 0.000 0.920 407 Q CA -0.118 55.515 55.803 -0.284 0.000 0.895 407 Q CB 1.456 30.046 28.738 -0.247 0.000 1.220 407 Q HN 0.149 nan 8.270 nan 0.000 0.439 408 A N 1.535 124.368 122.820 0.021 0.000 2.351 408 A HA 0.573 4.893 4.320 -0.000 0.000 0.257 408 A C 0.134 177.791 177.584 0.121 0.000 1.087 408 A CA 0.070 52.157 52.037 0.084 0.000 0.798 408 A CB 0.849 19.890 19.000 0.069 0.000 1.033 408 A HN 0.633 nan 8.150 nan 0.000 0.488 409 T N 0.854 115.500 114.554 0.153 0.000 2.821 409 T HA 0.596 4.946 4.350 -0.000 0.000 0.306 409 T C -2.179 172.688 174.700 0.279 0.000 1.313 409 T CA -0.359 61.850 62.100 0.180 0.000 1.012 409 T CB 1.076 70.049 68.868 0.175 0.000 1.298 409 T HN 0.912 nan 8.240 nan 0.000 0.502 410 W N 4.570 125.883 121.300 0.020 0.000 3.827 410 W HA 0.515 5.175 4.660 -0.000 0.000 0.307 410 W C -2.432 174.081 176.519 -0.010 0.000 1.204 410 W CA -0.826 56.520 57.345 0.001 0.000 1.250 410 W CB 0.937 30.385 29.460 -0.021 0.000 1.281 410 W HN 0.603 nan 8.180 nan 0.000 0.494 411 I N 6.573 126.694 120.570 -0.748 0.000 2.525 411 I HA 0.372 4.541 4.170 -0.000 0.000 0.301 411 I C -1.741 173.759 176.117 -1.028 0.000 0.992 411 I CA -2.197 58.619 61.300 -0.806 0.000 1.162 411 I CB 2.261 39.707 38.000 -0.924 0.000 1.332 411 I HN 0.142 nan 8.210 nan 0.000 0.458 412 P HA 0.062 nan 4.420 nan 0.000 0.277 412 P C -0.820 176.367 177.300 -0.189 0.000 1.276 412 P CA -0.568 62.342 63.100 -0.316 0.000 0.788 412 P CB 0.331 32.042 31.700 0.017 0.000 1.114 413 E N 1.006 121.153 120.200 -0.089 0.000 2.765 413 E HA -0.043 4.307 4.350 -0.000 0.000 0.256 413 E C -0.895 175.763 176.600 0.096 0.000 0.935 413 E CA 0.220 56.592 56.400 -0.047 0.000 0.954 413 E CB 0.065 29.740 29.700 -0.041 0.000 0.908 413 E HN 0.329 nan 8.360 nan 0.000 0.500 414 W N 2.974 124.165 121.300 -0.180 0.000 3.075 414 W HA 0.599 5.259 4.660 -0.001 0.000 0.334 414 W C -1.404 175.051 176.519 -0.106 0.000 1.243 414 W CA -0.983 56.282 57.345 -0.132 0.000 1.170 414 W CB 0.612 29.930 29.460 -0.235 0.000 1.452 414 W HN 0.454 nan 8.180 nan 0.000 0.572 415 E N 1.226 121.455 120.200 0.049 0.000 2.317 415 E HA 0.373 4.723 4.350 -0.000 0.000 0.270 415 E C -1.433 175.289 176.600 0.204 0.000 0.885 415 E CA -1.051 55.293 56.400 -0.093 0.000 0.760 415 E CB 3.158 32.836 29.700 -0.037 0.000 1.227 415 E HN 0.278 nan 8.360 nan 0.000 0.434 416 F N 2.714 122.680 119.950 0.027 0.000 2.506 416 F HA 0.386 4.914 4.527 0.001 0.000 0.351 416 F C -0.814 175.060 175.800 0.124 0.000 1.136 416 F CA -0.085 58.028 58.000 0.189 0.000 1.298 416 F CB 0.755 39.833 39.000 0.130 0.000 1.145 416 F HN 0.163 nan 8.300 nan 0.000 0.593 417 V N 6.320 125.635 119.914 -0.997 0.000 2.733 417 V HA 0.278 4.398 4.120 -0.000 0.000 0.306 417 V C -0.915 174.553 176.094 -1.044 0.000 1.084 417 V CA -0.941 60.846 62.300 -0.854 0.000 0.905 417 V CB 1.740 33.403 31.823 -0.268 0.000 1.010 417 V HN 0.836 nan 8.190 nan 0.000 0.424 418 N N 4.091 122.346 118.700 -0.741 0.000 2.895 418 N HA 0.177 4.917 4.740 -0.000 0.000 0.277 418 N C -0.259 175.187 175.510 -0.106 0.000 1.185 418 N CA 0.240 53.110 53.050 -0.300 0.000 1.106 418 N CB 0.280 38.753 38.487 -0.024 0.000 1.422 418 N HN 0.857 nan 8.380 nan 0.000 0.521 419 T N 0.109 114.616 114.554 -0.078 0.000 2.991 419 T HA 0.468 4.817 4.350 -0.000 0.000 0.347 419 T C -2.811 171.902 174.700 0.021 0.000 1.122 419 T CA -1.951 60.135 62.100 -0.024 0.000 1.062 419 T CB 1.790 70.640 68.868 -0.029 0.000 1.043 419 T HN 0.033 nan 8.240 nan 0.000 0.491 420 P HA 0.307 nan 4.420 nan 0.000 0.272 420 P C -2.199 175.113 177.300 0.021 0.000 1.223 420 P CA -0.999 62.129 63.100 0.046 0.000 0.784 420 P CB -0.152 31.573 31.700 0.042 0.000 0.923 421 P HA 0.187 nan 4.420 nan 0.000 0.275 421 P C -0.865 176.485 177.300 0.083 0.000 1.227 421 P CA -0.152 62.977 63.100 0.049 0.000 0.781 421 P CB 0.366 32.088 31.700 0.038 0.000 0.906 422 L N 2.746 124.032 121.223 0.106 0.000 2.375 422 L HA 0.181 4.521 4.340 -0.000 0.000 0.271 422 L C 0.359 177.308 176.870 0.131 0.000 1.107 422 L CA -0.601 54.330 54.840 0.152 0.000 0.806 422 L CB 0.858 43.020 42.059 0.170 0.000 1.146 422 L HN 0.144 nan 8.230 nan 0.000 0.447 423 V N 4.013 124.024 119.914 0.162 0.000 2.508 423 V HA 0.373 4.493 4.120 -0.000 0.000 0.281 423 V C 0.213 176.334 176.094 0.045 0.000 1.041 423 V CA -0.331 62.053 62.300 0.140 0.000 1.016 423 V CB 0.565 32.485 31.823 0.163 0.000 0.984 423 V HN 0.902 nan 8.190 nan 0.000 0.478 424 K N 4.307 124.699 120.400 -0.014 0.000 2.555 424 K HA 0.627 4.947 4.320 -0.000 0.000 0.279 424 K C -1.949 174.529 176.600 -0.203 0.000 0.986 424 K CA -1.100 55.096 56.287 -0.151 0.000 0.880 424 K CB 1.472 33.804 32.500 -0.281 0.000 1.474 424 K HN 0.232 nan 8.250 nan 0.000 0.433 425 L N 2.041 123.128 121.223 -0.228 0.000 2.305 425 L HA 0.277 4.617 4.340 -0.000 0.000 0.281 425 L C 0.185 176.881 176.870 -0.290 0.000 1.085 425 L CA -0.090 54.632 54.840 -0.198 0.000 0.813 425 L CB 0.371 42.337 42.059 -0.154 0.000 1.157 425 L HN 0.816 nan 8.230 nan 0.000 0.436 426 W N 3.591 124.778 121.300 -0.189 0.000 2.863 426 W HA 0.065 4.724 4.660 -0.000 0.000 0.258 426 W C -0.075 176.478 176.519 0.056 0.000 1.298 426 W CA 0.118 57.431 57.345 -0.052 0.000 1.451 426 W CB -0.059 29.422 29.460 0.035 0.000 1.107 426 W HN 0.552 nan 8.180 nan 0.000 0.641 427 Y N -2.592 117.811 120.300 0.172 0.000 2.713 427 Y HA 0.548 5.098 4.550 0.000 0.000 0.335 427 Y C -0.932 175.023 175.900 0.092 0.000 1.222 427 Y CA -1.943 56.226 58.100 0.116 0.000 1.061 427 Y CB 0.276 38.809 38.460 0.122 0.000 1.314 427 Y HN -0.282 nan 8.280 nan 0.000 0.453 428 Q N 1.981 121.940 119.800 0.265 0.000 2.389 428 Q HA 0.498 4.837 4.340 -0.000 0.000 0.277 428 Q C -1.672 174.473 176.000 0.242 0.000 1.082 428 Q CA -1.070 54.840 55.803 0.179 0.000 0.810 428 Q CB 3.277 32.071 28.738 0.092 0.000 1.374 428 Q HN 0.602 nan 8.270 nan 0.000 0.422 429 L N 1.520 122.866 121.223 0.205 0.000 2.343 429 L HA 0.337 4.677 4.340 -0.000 0.000 0.275 429 L C 0.651 177.614 176.870 0.156 0.000 1.056 429 L CA -0.274 54.669 54.840 0.172 0.000 0.804 429 L CB 0.790 42.934 42.059 0.141 0.000 1.203 429 L HN 0.516 nan 8.230 nan 0.000 0.440 430 E N 2.253 122.567 120.200 0.191 0.000 2.404 430 E HA 0.066 4.416 4.350 -0.000 0.000 0.261 430 E C 0.575 177.345 176.600 0.284 0.000 1.074 430 E CA -0.190 56.340 56.400 0.216 0.000 0.917 430 E CB 0.862 30.702 29.700 0.233 0.000 0.965 430 E HN 0.308 nan 8.360 nan 0.000 0.433 431 K N 0.937 121.448 120.400 0.184 0.000 2.361 431 K HA 0.093 4.413 4.320 -0.000 0.000 0.196 431 K C 0.246 176.955 176.600 0.181 0.000 1.039 431 K CA 0.486 56.882 56.287 0.182 0.000 1.001 431 K CB 0.568 33.119 32.500 0.085 0.000 0.795 431 K HN 0.326 nan 8.250 nan 0.000 0.495 432 E N 0.641 120.845 120.200 0.007 0.000 2.367 432 E HA 0.339 4.688 4.350 -0.000 0.000 0.273 432 E C -2.752 173.395 176.600 -0.755 0.000 0.903 432 E CA -2.597 53.596 56.400 -0.345 0.000 0.764 432 E CB 2.053 31.646 29.700 -0.178 0.000 1.252 432 E HN -0.176 nan 8.360 nan 0.000 0.446 433 P HA 0.140 nan 4.420 nan 0.000 0.266 433 P C -0.096 177.025 177.300 -0.298 0.000 1.195 433 P CA 0.097 62.728 63.100 -0.782 0.000 0.768 433 P CB 0.327 31.724 31.700 -0.504 0.000 0.838 434 I N 2.432 122.917 120.570 -0.142 0.000 2.416 434 I HA 0.102 4.272 4.170 -0.000 0.000 0.288 434 I C 0.702 176.795 176.117 -0.041 0.000 1.051 434 I CA -0.600 60.666 61.300 -0.057 0.000 1.375 434 I CB 0.656 38.656 38.000 0.001 0.000 1.407 434 I HN 0.032 nan 8.210 nan 0.000 0.516 435 V N 6.442 126.334 119.914 -0.036 0.000 2.530 435 V HA 0.383 4.503 4.120 -0.000 0.000 0.282 435 V C 1.120 177.210 176.094 -0.007 0.000 1.048 435 V CA 0.910 63.196 62.300 -0.023 0.000 0.997 435 V CB 0.705 32.514 31.823 -0.024 0.000 0.987 435 V HN 1.121 nan 8.190 nan 0.000 0.477 436 G N 4.111 112.911 108.800 0.001 0.000 2.141 436 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.242 436 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.242 436 G C 0.198 175.109 174.900 0.018 0.000 0.982 436 G CA 0.094 45.199 45.100 0.008 0.000 0.662 436 G HN 1.469 nan 8.290 nan 0.000 0.527 437 A N -0.173 122.661 122.820 0.023 0.000 2.317 437 A HA 0.778 5.098 4.320 -0.000 0.000 0.327 437 A C 0.166 177.786 177.584 0.060 0.000 1.178 437 A CA 0.194 52.257 52.037 0.044 0.000 0.817 437 A CB 0.993 20.019 19.000 0.043 0.000 1.189 437 A HN 0.639 nan 8.150 nan 0.000 0.489 438 E N 1.185 121.442 120.200 0.094 0.000 2.373 438 E HA 0.289 4.639 4.350 -0.000 0.000 0.267 438 E C -0.626 176.065 176.600 0.151 0.000 1.032 438 E CA 0.060 56.518 56.400 0.096 0.000 0.889 438 E CB 0.523 30.309 29.700 0.143 0.000 0.984 438 E HN 0.529 nan 8.360 nan 0.000 0.425 439 T N 4.704 119.294 114.554 0.060 0.000 2.767 439 T HA 0.337 4.686 4.350 -0.000 0.000 0.284 439 T C -0.950 173.734 174.700 -0.026 0.000 0.973 439 T CA -0.335 61.793 62.100 0.047 0.000 0.996 439 T CB 0.105 68.969 68.868 -0.007 0.000 0.927 439 T HN 0.240 nan 8.240 nan 0.000 0.456 440 F N 2.661 122.524 119.950 -0.144 0.000 2.411 440 F HA 0.447 4.974 4.527 -0.000 0.000 0.352 440 F C -0.279 175.439 175.800 -0.136 0.000 1.123 440 F CA -1.236 56.704 58.000 -0.099 0.000 1.044 440 F CB 0.912 39.804 39.000 -0.180 0.000 1.135 440 F HN 0.511 nan 8.300 nan 0.000 0.461 441 Y N 3.182 123.561 120.300 0.132 0.000 2.353 441 Y HA 0.530 5.080 4.550 -0.000 0.000 0.340 441 Y C 0.151 176.144 175.900 0.154 0.000 0.972 441 Y CA -0.953 57.208 58.100 0.103 0.000 1.157 441 Y CB 1.231 39.718 38.460 0.046 0.000 1.157 441 Y HN 0.406 nan 8.280 nan 0.000 0.495 442 V N -0.227 119.828 119.914 0.235 0.000 2.994 442 V HA 0.842 4.962 4.120 -0.000 0.000 0.318 442 V C -0.876 175.310 176.094 0.153 0.000 1.085 442 V CA -0.577 61.856 62.300 0.221 0.000 0.998 442 V CB 2.196 34.134 31.823 0.192 0.000 1.063 442 V HN 0.642 nan 8.190 nan 0.000 0.447 443 D N -0.422 120.058 120.400 0.134 0.000 2.722 443 D HA 0.639 5.279 4.640 -0.000 0.000 0.231 443 D C -0.601 175.749 176.300 0.083 0.000 1.218 443 D CA 0.456 54.511 54.000 0.091 0.000 0.753 443 D CB 2.021 42.861 40.800 0.066 0.000 1.471 443 D HN 1.184 nan 8.370 nan 0.000 0.455 444 G N -0.130 108.714 108.800 0.073 0.000 2.563 444 G HA2 0.846 4.806 3.960 -0.000 0.000 0.302 444 G HA3 0.846 4.806 3.960 -0.000 0.000 0.302 444 G C -1.480 173.452 174.900 0.055 0.000 1.301 444 G CA -0.362 44.778 45.100 0.066 0.000 0.965 444 G HN 0.566 nan 8.290 nan 0.000 0.480 445 A N -0.286 122.562 122.820 0.047 0.000 2.486 445 A HA 0.973 5.293 4.320 -0.000 0.000 0.300 445 A C -0.493 177.112 177.584 0.035 0.000 1.048 445 A CA -0.096 51.967 52.037 0.043 0.000 0.696 445 A CB 1.768 20.794 19.000 0.043 0.000 1.278 445 A HN 2.236 nan 8.150 nan 0.000 0.405 446 A N 1.911 124.749 122.820 0.031 0.000 2.455 446 A HA 0.698 5.017 4.320 -0.000 0.000 0.300 446 A C -0.846 176.751 177.584 0.020 0.000 1.040 446 A CA -0.660 51.391 52.037 0.023 0.000 0.697 446 A CB 1.150 20.161 19.000 0.020 0.000 1.265 446 A HN 0.826 nan 8.150 nan 0.000 0.407 447 N N 1.683 120.393 118.700 0.016 0.000 2.422 447 N HA 0.113 4.853 4.740 -0.000 0.000 0.264 447 N C 0.869 176.386 175.510 0.010 0.000 1.063 447 N CA -0.346 52.712 53.050 0.013 0.000 0.959 447 N CB 0.878 39.372 38.487 0.011 0.000 1.087 447 N HN 0.717 nan 8.380 nan 0.000 0.483 448 R N 2.667 123.173 120.500 0.009 0.000 2.148 448 R HA -0.039 4.301 4.340 -0.000 0.000 0.223 448 R C 1.054 177.358 176.300 0.006 0.000 1.088 448 R CA 0.822 56.926 56.100 0.007 0.000 0.985 448 R CB 0.157 30.460 30.300 0.006 0.000 0.880 448 R HN 0.650 nan 8.270 nan 0.000 0.451 449 E N 1.230 121.434 120.200 0.006 0.000 2.016 449 E HA -0.121 4.229 4.350 -0.000 0.000 0.190 449 E C 2.018 178.622 176.600 0.006 0.000 0.985 449 E CA 1.862 58.266 56.400 0.005 0.000 0.802 449 E CB -0.450 29.253 29.700 0.005 0.000 0.762 449 E HN 0.383 nan 8.360 nan 0.000 0.448 450 T N -1.460 113.098 114.554 0.006 0.000 3.067 450 T HA 0.067 4.417 4.350 -0.000 0.000 0.261 450 T C 0.744 175.448 174.700 0.008 0.000 1.110 450 T CA 0.523 62.627 62.100 0.007 0.000 1.113 450 T CB 0.086 68.958 68.868 0.007 0.000 0.917 450 T HN -0.077 nan 8.240 nan 0.000 0.499 451 K N -0.093 120.312 120.400 0.008 0.000 3.407 451 K HA -0.116 4.204 4.320 -0.000 0.000 0.312 451 K C -0.148 176.459 176.600 0.012 0.000 1.302 451 K CA 1.048 57.340 56.287 0.009 0.000 0.931 451 K CB -2.678 29.827 32.500 0.009 0.000 1.257 451 K HN 0.798 nan 8.250 nan 0.000 0.454 452 L N -3.369 117.862 121.223 0.012 0.000 2.334 452 L HA 0.953 5.293 4.340 -0.000 0.000 0.270 452 L C 0.664 177.544 176.870 0.016 0.000 1.018 452 L CA -0.108 54.740 54.840 0.014 0.000 0.811 452 L CB 2.366 44.432 42.059 0.012 0.000 1.271 452 L HN 0.018 nan 8.230 nan 0.000 0.443 453 G N 0.528 109.339 108.800 0.019 0.000 2.663 453 G HA2 0.696 4.656 3.960 -0.000 0.000 0.299 453 G HA3 0.696 4.656 3.960 -0.000 0.000 0.299 453 G C -1.895 173.018 174.900 0.022 0.000 1.372 453 G CA -1.055 44.058 45.100 0.022 0.000 0.781 453 G HN 0.658 nan 8.290 nan 0.000 0.491 454 K N -0.859 119.555 120.400 0.024 0.000 2.469 454 K HA 0.771 5.091 4.320 -0.000 0.000 0.254 454 K C -0.864 175.755 176.600 0.031 0.000 0.939 454 K CA -0.770 55.529 56.287 0.021 0.000 0.812 454 K CB 2.804 35.309 32.500 0.010 0.000 1.301 454 K HN 0.806 nan 8.250 nan 0.000 0.433 455 A N 1.129 123.968 122.820 0.032 0.000 2.365 455 A HA 0.930 5.250 4.320 -0.000 0.000 0.318 455 A C -0.456 177.143 177.584 0.025 0.000 1.091 455 A CA -0.388 51.679 52.037 0.050 0.000 0.763 455 A CB 1.630 20.675 19.000 0.075 0.000 1.248 455 A HN 0.817 nan 8.150 nan 0.000 0.442 456 G N -0.328 108.499 108.800 0.045 0.000 2.548 456 G HA2 0.692 4.652 3.960 -0.000 0.000 0.301 456 G HA3 0.692 4.652 3.960 -0.000 0.000 0.301 456 G C -1.532 173.438 174.900 0.116 0.000 1.349 456 G CA 0.026 45.118 45.100 -0.013 0.000 0.792 456 G HN 1.906 nan 8.290 nan 0.000 0.481 457 Y N -1.836 118.525 120.300 0.101 0.000 2.609 457 Y HA 0.783 5.333 4.550 -0.000 0.000 0.336 457 Y C -0.935 175.001 175.900 0.061 0.000 1.129 457 Y CA -1.776 56.403 58.100 0.131 0.000 1.040 457 Y CB 1.491 40.108 38.460 0.260 0.000 1.310 457 Y HN 1.284 nan 8.280 nan 0.000 0.460 458 V N 0.099 120.233 119.914 0.367 0.000 2.623 458 V HA 0.863 4.983 4.120 -0.000 0.000 0.304 458 V C -0.366 175.801 176.094 0.121 0.000 1.054 458 V CA 0.061 62.478 62.300 0.194 0.000 0.882 458 V CB 0.908 32.765 31.823 0.056 0.000 1.002 458 V HN 1.405 nan 8.190 nan 0.000 0.424 459 T N 1.303 115.817 114.554 -0.067 0.000 2.936 459 T HA 0.400 4.750 4.350 -0.000 0.000 0.282 459 T C 0.925 175.581 174.700 -0.074 0.000 1.003 459 T CA -0.020 61.930 62.100 -0.250 0.000 1.005 459 T CB 1.613 70.019 68.868 -0.769 0.000 1.097 459 T HN 0.982 nan 8.240 nan 0.000 0.532 460 N N 0.609 119.291 118.700 -0.031 0.000 2.467 460 N HA -0.076 4.664 4.740 -0.000 0.000 0.184 460 N C 1.192 176.687 175.510 -0.026 0.000 1.106 460 N CA 0.101 53.160 53.050 0.014 0.000 0.892 460 N CB -0.280 38.247 38.487 0.067 0.000 0.969 460 N HN 0.844 nan 8.380 nan 0.000 0.454 461 R N -0.611 119.849 120.500 -0.066 0.000 2.586 461 R HA 0.318 4.658 4.340 -0.000 0.000 0.336 461 R C 0.598 176.869 176.300 -0.049 0.000 1.060 461 R CA 0.477 56.546 56.100 -0.052 0.000 1.079 461 R CB -0.237 30.034 30.300 -0.048 0.000 1.317 461 R HN 0.092 nan 8.270 nan 0.000 0.568 462 G N 1.276 110.048 108.800 -0.048 0.000 2.317 462 G HA2 -0.314 3.645 3.960 -0.000 0.000 0.227 462 G HA3 -0.314 3.645 3.960 -0.000 0.000 0.227 462 G C 0.066 174.956 174.900 -0.017 0.000 1.042 462 G CA 0.041 45.123 45.100 -0.029 0.000 0.623 462 G HN 0.394 nan 8.290 nan 0.000 0.509 463 R N 0.971 121.458 120.500 -0.022 0.000 2.801 463 R HA 0.597 4.936 4.340 -0.000 0.000 0.273 463 R C 0.624 176.994 176.300 0.117 0.000 1.080 463 R CA 0.937 57.072 56.100 0.058 0.000 1.197 463 R CB 0.296 30.658 30.300 0.104 0.000 1.109 463 R HN 0.861 nan 8.270 nan 0.000 0.535 464 Q N -0.701 119.181 119.800 0.137 0.000 2.647 464 Q HA 0.500 4.840 4.340 -0.000 0.000 0.283 464 Q C -1.702 174.118 176.000 -0.299 0.000 0.943 464 Q CA -1.117 54.661 55.803 -0.040 0.000 0.813 464 Q CB 2.012 30.723 28.738 -0.046 0.000 1.477 464 Q HN 0.446 nan 8.270 nan 0.000 0.393 465 K N 1.133 121.182 120.400 -0.584 0.000 2.622 465 K HA 0.564 4.884 4.320 -0.000 0.000 0.273 465 K C -2.069 174.289 176.600 -0.402 0.000 0.957 465 K CA -0.596 55.377 56.287 -0.523 0.000 0.861 465 K CB 2.434 34.501 32.500 -0.723 0.000 1.405 465 K HN 0.526 nan 8.250 nan 0.000 0.406 466 V N 2.491 122.277 119.914 -0.213 0.000 2.668 466 V HA 0.491 4.611 4.120 -0.000 0.000 0.304 466 V C -0.881 175.166 176.094 -0.078 0.000 1.071 466 V CA -0.950 61.276 62.300 -0.123 0.000 0.894 466 V CB 1.611 33.386 31.823 -0.080 0.000 1.008 466 V HN 0.517 nan 8.190 nan 0.000 0.425 467 V N 3.449 123.335 119.914 -0.046 0.000 2.715 467 V HA 0.690 4.810 4.120 -0.000 0.000 0.310 467 V C 0.122 176.216 176.094 -0.001 0.000 1.054 467 V CA 0.016 62.306 62.300 -0.018 0.000 0.928 467 V CB 2.739 34.560 31.823 -0.003 0.000 1.007 467 V HN 1.015 nan 8.190 nan 0.000 0.437 468 T N 6.925 121.482 114.554 0.004 0.000 2.867 468 T HA 0.707 5.057 4.350 -0.000 0.000 0.282 468 T C -0.679 174.032 174.700 0.019 0.000 1.000 468 T CA -0.139 61.967 62.100 0.010 0.000 1.042 468 T CB 0.996 69.868 68.868 0.006 0.000 0.973 468 T HN 0.462 nan 8.240 nan 0.000 0.465 469 L N 1.780 123.016 121.223 0.022 0.000 2.388 469 L HA 0.528 4.868 4.340 -0.000 0.000 0.264 469 L C 1.386 178.269 176.870 0.022 0.000 0.998 469 L CA -0.787 54.069 54.840 0.027 0.000 0.817 469 L CB 2.282 44.362 42.059 0.035 0.000 1.338 469 L HN 0.828 nan 8.230 nan 0.000 0.414 470 T N -4.222 110.345 114.554 0.021 0.000 3.018 470 T HA 0.125 4.475 4.350 -0.000 0.000 0.246 470 T C 0.447 175.156 174.700 0.016 0.000 1.026 470 T CA 0.265 62.375 62.100 0.017 0.000 1.081 470 T CB 0.245 69.121 68.868 0.014 0.000 0.970 470 T HN 0.474 nan 8.240 nan 0.000 0.475 471 D N 2.456 122.866 120.400 0.017 0.000 2.749 471 D HA 0.294 4.934 4.640 -0.000 0.000 0.338 471 D C -0.274 176.036 176.300 0.017 0.000 1.236 471 D CA -0.016 53.993 54.000 0.015 0.000 0.845 471 D CB 1.190 41.998 40.800 0.013 0.000 1.080 471 D HN 0.513 nan 8.370 nan 0.000 0.497 472 T N -1.418 113.146 114.554 0.018 0.000 2.864 472 T HA 0.717 5.067 4.350 -0.000 0.000 0.276 472 T C 0.590 175.298 174.700 0.012 0.000 1.006 472 T CA -0.603 61.508 62.100 0.019 0.000 0.970 472 T CB 1.798 70.682 68.868 0.026 0.000 1.420 472 T HN 0.175 nan 8.240 nan 0.000 0.601 473 T N -2.588 111.971 114.554 0.010 0.000 2.864 473 T HA 0.423 4.773 4.350 -0.000 0.000 0.299 473 T C 0.650 175.349 174.700 -0.001 0.000 1.166 473 T CA -0.802 61.295 62.100 -0.004 0.000 1.007 473 T CB 1.694 70.549 68.868 -0.022 0.000 1.219 473 T HN 0.448 nan 8.240 nan 0.000 0.506 474 N N 0.286 118.979 118.700 -0.011 0.000 2.069 474 N HA -0.158 4.582 4.740 -0.000 0.000 0.191 474 N C 1.984 177.492 175.510 -0.004 0.000 1.031 474 N CA 1.944 54.994 53.050 0.000 0.000 0.852 474 N CB -0.243 38.242 38.487 -0.004 0.000 1.018 474 N HN 0.704 nan 8.380 nan 0.000 0.423 475 Q N -0.030 119.723 119.800 -0.079 0.000 2.077 475 Q HA -0.180 4.160 4.340 -0.000 0.000 0.206 475 Q C 1.825 177.860 176.000 0.059 0.000 0.989 475 Q CA 1.690 57.412 55.803 -0.134 0.000 0.853 475 Q CB 0.028 28.484 28.738 -0.471 0.000 0.907 475 Q HN 0.328 nan 8.270 nan 0.000 0.418 476 K N -0.637 119.787 120.400 0.041 0.000 2.057 476 K HA -0.134 4.185 4.320 -0.000 0.000 0.207 476 K C 2.268 178.920 176.600 0.086 0.000 1.049 476 K CA 1.695 58.028 56.287 0.076 0.000 0.931 476 K CB -0.206 32.325 32.500 0.051 0.000 0.714 476 K HN 0.407 nan 8.250 nan 0.000 0.440 477 T N -0.118 114.479 114.554 0.071 0.000 2.708 477 T HA -0.149 4.201 4.350 -0.000 0.000 0.266 477 T C 1.675 176.434 174.700 0.098 0.000 1.037 477 T CA 1.049 63.194 62.100 0.076 0.000 1.146 477 T CB -0.207 68.695 68.868 0.058 0.000 0.865 477 T HN 0.092 nan 8.240 nan 0.000 0.435 478 E N 0.894 121.161 120.200 0.112 0.000 2.153 478 E HA -0.032 4.318 4.350 -0.000 0.000 0.194 478 E C 2.146 178.829 176.600 0.139 0.000 0.988 478 E CA 0.709 57.190 56.400 0.134 0.000 0.811 478 E CB -0.317 29.484 29.700 0.169 0.000 0.746 478 E HN 0.366 nan 8.360 nan 0.000 0.466 479 L N 0.697 122.008 121.223 0.147 0.000 2.162 479 L HA -0.079 4.261 4.340 -0.000 0.000 0.205 479 L C 2.390 179.333 176.870 0.121 0.000 1.086 479 L CA 1.308 56.216 54.840 0.113 0.000 0.778 479 L CB -0.804 41.324 42.059 0.115 0.000 0.928 479 L HN 0.040 nan 8.230 nan 0.000 0.446 480 Q N -0.518 119.362 119.800 0.132 0.000 2.119 480 Q HA -0.095 4.245 4.340 -0.000 0.000 0.201 480 Q C 2.240 178.348 176.000 0.180 0.000 0.972 480 Q CA 1.765 57.669 55.803 0.168 0.000 0.847 480 Q CB -0.170 28.646 28.738 0.130 0.000 0.903 480 Q HN 0.455 nan 8.270 nan 0.000 0.433 481 A N 0.007 122.915 122.820 0.147 0.000 1.902 481 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 481 A C 2.078 179.761 177.584 0.164 0.000 1.181 481 A CA 1.487 53.617 52.037 0.155 0.000 0.623 481 A CB -0.709 18.374 19.000 0.140 0.000 0.818 481 A HN 0.462 nan 8.150 nan 0.000 0.443 482 I N -2.007 118.644 120.570 0.134 0.000 2.252 482 I HA -0.237 3.933 4.170 -0.000 0.000 0.245 482 I C 2.444 178.624 176.117 0.104 0.000 1.102 482 I CA 1.436 62.789 61.300 0.088 0.000 1.385 482 I CB -0.323 37.709 38.000 0.053 0.000 1.064 482 I HN 0.518 nan 8.210 nan 0.000 0.414 483 Y N 1.400 121.697 120.300 -0.006 0.000 2.181 483 Y HA -0.232 4.318 4.550 -0.000 0.000 0.288 483 Y C 2.242 178.139 175.900 -0.005 0.000 1.146 483 Y CA 1.358 59.445 58.100 -0.021 0.000 1.164 483 Y CB -0.437 38.022 38.460 -0.002 0.000 0.982 483 Y HN 0.045 nan 8.280 nan 0.000 0.515 484 L N -0.529 120.690 121.223 -0.007 0.000 1.989 484 L HA -0.274 4.066 4.340 -0.000 0.000 0.211 484 L C 2.675 179.527 176.870 -0.031 0.000 1.071 484 L CA 1.598 56.431 54.840 -0.012 0.000 0.749 484 L CB -1.055 41.138 42.059 0.222 0.000 0.890 484 L HN 0.331 nan 8.230 nan 0.000 0.431 485 A N -0.458 122.330 122.820 -0.054 0.000 2.024 485 A HA -0.180 4.140 4.320 -0.000 0.000 0.220 485 A C 2.129 179.285 177.584 -0.713 0.000 1.164 485 A CA 1.426 53.148 52.037 -0.525 0.000 0.643 485 A CB -0.520 18.259 19.000 -0.369 0.000 0.806 485 A HN 0.454 nan 8.150 nan 0.000 0.451 486 L N -1.621 119.385 121.223 -0.362 0.000 2.375 486 L HA -0.067 4.273 4.340 -0.000 0.000 0.215 486 L C 2.684 179.403 176.870 -0.251 0.000 1.108 486 L CA 0.620 55.288 54.840 -0.286 0.000 0.830 486 L CB -0.267 41.721 42.059 -0.118 0.000 0.959 486 L HN 0.445 nan 8.230 nan 0.000 0.457 487 Q N -0.160 119.469 119.800 -0.285 0.000 2.096 487 Q HA -0.136 4.204 4.340 -0.000 0.000 0.197 487 Q C 1.042 176.944 176.000 -0.163 0.000 0.964 487 Q CA 1.131 56.787 55.803 -0.245 0.000 0.838 487 Q CB 0.224 28.744 28.738 -0.364 0.000 0.906 487 Q HN 0.391 nan 8.270 nan 0.000 0.444 488 D N -0.624 119.678 120.400 -0.163 0.000 2.340 488 D HA -0.038 4.601 4.640 -0.000 0.000 0.220 488 D C 1.578 177.838 176.300 -0.067 0.000 1.039 488 D CA 0.560 54.531 54.000 -0.049 0.000 0.866 488 D CB 0.262 41.129 40.800 0.111 0.000 0.913 488 D HN 0.167 nan 8.370 nan 0.000 0.523 489 S N -0.568 114.975 115.700 -0.261 0.000 2.470 489 S HA 0.303 4.773 4.470 -0.000 0.000 0.222 489 S C 1.353 175.905 174.600 -0.080 0.000 1.024 489 S CA 0.285 58.349 58.200 -0.228 0.000 0.931 489 S CB 0.052 62.873 63.200 -0.632 0.000 0.791 489 S HN 0.299 nan 8.310 nan 0.000 0.513 490 G N 1.917 110.669 108.800 -0.081 0.000 2.785 490 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.685 490 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.685 490 G C -0.300 174.576 174.900 -0.039 0.000 1.480 490 G CA -0.591 44.486 45.100 -0.038 0.000 0.915 490 G HN 1.159 nan 8.290 nan 0.000 0.576 491 L N -0.950 120.261 121.223 -0.020 0.000 2.535 491 L HA 0.425 4.765 4.340 -0.000 0.000 0.301 491 L C 0.965 177.831 176.870 -0.007 0.000 1.275 491 L CA 0.687 55.520 54.840 -0.012 0.000 0.843 491 L CB -0.050 42.011 42.059 0.003 0.000 1.094 491 L HN 0.985 nan 8.230 nan 0.000 0.532 492 E N -0.702 119.498 120.200 -0.001 0.000 7.289 492 E HA -0.026 4.324 4.350 -0.000 0.000 0.402 492 E C -1.130 175.474 176.600 0.006 0.000 0.630 492 E CA 0.636 57.043 56.400 0.010 0.000 0.967 492 E CB -0.593 29.118 29.700 0.018 0.000 0.933 492 E HN 0.554 nan 8.360 nan 0.000 0.285 493 V N 1.411 121.331 119.914 0.011 0.000 3.167 493 V HA 0.491 4.611 4.120 -0.000 0.000 0.293 493 V C -0.495 175.633 176.094 0.057 0.000 1.379 493 V CA -1.245 61.063 62.300 0.013 0.000 1.019 493 V CB 2.464 34.217 31.823 -0.118 0.000 1.115 493 V HN 0.579 nan 8.190 nan 0.000 0.442 494 N N 1.928 120.687 118.700 0.098 0.000 2.372 494 N HA 0.746 5.486 4.740 -0.000 0.000 0.285 494 N C -1.369 174.180 175.510 0.064 0.000 1.008 494 N CA -0.280 52.844 53.050 0.124 0.000 0.880 494 N CB 2.688 41.252 38.487 0.127 0.000 1.239 494 N HN 0.675 nan 8.380 nan 0.000 0.484 495 I N 1.383 121.954 120.570 0.001 0.000 2.436 495 I HA 0.277 4.447 4.170 -0.000 0.000 0.289 495 I C -0.182 175.872 176.117 -0.105 0.000 1.010 495 I CA -1.118 60.156 61.300 -0.044 0.000 1.098 495 I CB 2.300 40.264 38.000 -0.059 0.000 1.266 495 I HN 0.114 nan 8.210 nan 0.000 0.434 496 V N 5.058 124.867 119.914 -0.176 0.000 2.378 496 V HA 0.602 4.722 4.120 -0.000 0.000 0.288 496 V C -0.448 175.611 176.094 -0.059 0.000 1.016 496 V CA 0.201 62.397 62.300 -0.173 0.000 0.840 496 V CB 1.585 33.236 31.823 -0.287 0.000 0.994 496 V HN 0.828 nan 8.190 nan 0.000 0.431 497 T N 3.101 117.647 114.554 -0.014 0.000 2.950 497 T HA 0.533 4.883 4.350 -0.000 0.000 0.288 497 T C 0.315 174.990 174.700 -0.042 0.000 1.035 497 T CA 0.237 62.356 62.100 0.032 0.000 1.028 497 T CB 1.722 70.644 68.868 0.089 0.000 1.109 497 T HN 0.978 nan 8.240 nan 0.000 0.514 498 D N 0.356 120.732 120.400 -0.041 0.000 2.395 498 D HA 0.207 4.847 4.640 -0.000 0.000 0.213 498 D C 0.311 176.760 176.300 0.248 0.000 1.110 498 D CA -0.220 53.668 54.000 -0.188 0.000 0.835 498 D CB 0.243 40.907 40.800 -0.227 0.000 0.965 498 D HN 0.239 nan 8.370 nan 0.000 0.505 499 S N 0.444 116.341 115.700 0.329 0.000 2.415 499 S HA 0.086 4.556 4.470 -0.000 0.000 0.313 499 S C 0.998 175.786 174.600 0.313 0.000 1.067 499 S CA -0.518 57.879 58.200 0.328 0.000 1.099 499 S CB 0.886 64.226 63.200 0.234 0.000 0.991 499 S HN 0.160 nan 8.310 nan 0.000 0.491 500 Q N 3.196 123.119 119.800 0.204 0.000 2.124 500 Q HA -0.169 4.171 4.340 -0.000 0.000 0.202 500 Q C 1.223 177.212 176.000 -0.019 0.000 0.977 500 Q CA 1.660 57.386 55.803 -0.128 0.000 0.850 500 Q CB -0.194 28.409 28.738 -0.225 0.000 0.901 500 Q HN 0.997 nan 8.270 nan 0.000 0.429 501 Y N 0.535 120.826 120.300 -0.015 0.000 2.070 501 Y HA -0.299 4.251 4.550 -0.000 0.000 0.280 501 Y C 2.083 177.987 175.900 0.006 0.000 1.148 501 Y CA 1.942 60.043 58.100 0.002 0.000 1.125 501 Y CB -0.582 37.895 38.460 0.029 0.000 0.975 501 Y HN 0.088 nan 8.280 nan 0.000 0.492 502 A N 0.700 123.455 122.820 -0.109 0.000 1.969 502 A HA -0.112 4.208 4.320 -0.000 0.000 0.218 502 A C 2.407 179.900 177.584 -0.152 0.000 1.169 502 A CA 1.413 53.317 52.037 -0.221 0.000 0.635 502 A CB -1.064 17.927 19.000 -0.014 0.000 0.810 502 A HN 0.648 nan 8.150 nan 0.000 0.445 503 L N -0.514 120.666 121.223 -0.072 0.000 1.994 503 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 503 L C 2.608 179.429 176.870 -0.082 0.000 1.071 503 L CA 1.970 56.774 54.840 -0.060 0.000 0.745 503 L CB -1.088 40.929 42.059 -0.070 0.000 0.892 503 L HN 0.451 nan 8.230 nan 0.000 0.431 504 G N 0.149 108.871 108.800 -0.131 0.000 2.469 504 G HA2 -0.302 3.657 3.960 -0.000 0.000 0.219 504 G HA3 -0.302 3.657 3.960 -0.000 0.000 0.219 504 G C 1.568 176.487 174.900 0.033 0.000 1.150 504 G CA 1.109 46.151 45.100 -0.096 0.000 0.763 504 G HN 0.411 nan 8.290 nan 0.000 0.561 505 I N 0.279 120.789 120.570 -0.100 0.000 2.142 505 I HA -0.138 4.032 4.170 -0.000 0.000 0.240 505 I C 2.630 178.759 176.117 0.019 0.000 1.078 505 I CA 0.977 62.215 61.300 -0.102 0.000 1.343 505 I CB -0.170 37.576 38.000 -0.423 0.000 1.046 505 I HN 0.138 nan 8.210 nan 0.000 0.405 506 I N 0.015 120.584 120.570 -0.002 0.000 2.394 506 I HA -0.268 3.902 4.170 -0.000 0.000 0.251 506 I C 2.454 178.690 176.117 0.197 0.000 1.136 506 I CA 1.169 62.520 61.300 0.085 0.000 1.425 506 I CB -0.336 37.674 38.000 0.017 0.000 1.079 506 I HN 0.233 nan 8.210 nan 0.000 0.425 507 Q N 0.412 120.330 119.800 0.195 0.000 2.291 507 Q HA -0.078 4.262 4.340 -0.000 0.000 0.206 507 Q C 1.961 178.202 176.000 0.402 0.000 0.976 507 Q CA 1.182 57.154 55.803 0.282 0.000 0.875 507 Q CB -0.067 28.820 28.738 0.248 0.000 0.927 507 Q HN 0.588 nan 8.270 nan 0.000 0.450 508 A N -0.005 123.078 122.820 0.438 0.000 2.302 508 A HA -0.003 4.317 4.320 -0.000 0.000 0.219 508 A C 0.037 177.806 177.584 0.308 0.000 1.243 508 A CA -0.078 52.196 52.037 0.395 0.000 0.856 508 A CB 0.009 19.292 19.000 0.472 0.000 0.893 508 A HN 0.395 nan 8.150 nan 0.000 0.491 509 Q N -0.879 119.073 119.800 0.255 0.000 2.439 509 Q HA -0.132 4.208 4.340 -0.000 0.000 0.325 509 Q C -2.266 173.747 176.000 0.022 0.000 1.372 509 Q CA 0.319 56.163 55.803 0.068 0.000 0.909 509 Q CB -1.511 27.186 28.738 -0.069 0.000 1.167 509 Q HN 0.515 nan 8.270 nan 0.000 0.418 510 P HA -0.059 nan 4.420 nan 0.000 0.269 510 P C 0.011 177.396 177.300 0.140 0.000 1.209 510 P CA 0.547 63.728 63.100 0.134 0.000 0.776 510 P CB 0.640 32.439 31.700 0.164 0.000 0.876 511 D N 0.014 120.447 120.400 0.055 0.000 2.479 511 D HA 0.021 4.661 4.640 -0.000 0.000 0.216 511 D C 0.247 176.523 176.300 -0.041 0.000 1.110 511 D CA 0.270 54.271 54.000 0.002 0.000 0.841 511 D CB 0.215 40.974 40.800 -0.068 0.000 1.040 511 D HN 0.512 nan 8.370 nan 0.000 0.505 512 Q N -1.130 118.676 119.800 0.010 0.000 2.377 512 Q HA 0.658 4.998 4.340 -0.000 0.000 0.279 512 Q C -1.530 174.507 176.000 0.061 0.000 1.049 512 Q CA -0.934 54.873 55.803 0.006 0.000 0.825 512 Q CB 2.164 30.897 28.738 -0.008 0.000 1.401 512 Q HN -0.066 nan 8.270 nan 0.000 0.404 513 S N 0.211 115.948 115.700 0.062 0.000 2.579 513 S HA 0.257 4.727 4.470 -0.000 0.000 0.272 513 S C -0.270 174.371 174.600 0.068 0.000 1.141 513 S CA -0.390 57.886 58.200 0.127 0.000 0.843 513 S CB 2.106 65.449 63.200 0.238 0.000 1.122 513 S HN 0.783 nan 8.310 nan 0.000 0.468 514 E N 0.919 121.153 120.200 0.057 0.000 2.152 514 E HA 0.048 4.398 4.350 -0.000 0.000 0.192 514 E C 0.267 176.898 176.600 0.051 0.000 0.983 514 E CA 0.443 56.858 56.400 0.026 0.000 0.818 514 E CB 0.195 29.890 29.700 -0.009 0.000 0.758 514 E HN 0.405 nan 8.360 nan 0.000 0.467 515 S N 0.404 116.168 115.700 0.106 0.000 2.448 515 S HA 0.006 4.475 4.470 -0.000 0.000 0.279 515 S C 0.918 175.536 174.600 0.028 0.000 1.195 515 S CA -0.376 57.876 58.200 0.086 0.000 1.051 515 S CB 1.013 64.300 63.200 0.144 0.000 0.948 515 S HN 0.290 nan 8.310 nan 0.000 0.493 516 E N 4.808 125.007 120.200 -0.001 0.000 2.204 516 E HA -0.147 4.203 4.350 -0.000 0.000 0.194 516 E C 1.620 178.166 176.600 -0.089 0.000 0.989 516 E CA 1.088 57.465 56.400 -0.039 0.000 0.824 516 E CB -0.212 29.469 29.700 -0.032 0.000 0.756 516 E HN 0.657 nan 8.360 nan 0.000 0.477 517 L N 0.393 121.567 121.223 -0.082 0.000 2.017 517 L HA -0.108 4.232 4.340 -0.000 0.000 0.208 517 L C 2.260 179.019 176.870 -0.186 0.000 1.073 517 L CA 1.450 56.197 54.840 -0.155 0.000 0.745 517 L CB -0.635 41.380 42.059 -0.072 0.000 0.894 517 L HN 0.153 nan 8.230 nan 0.000 0.432 518 V N 0.225 120.080 119.914 -0.097 0.000 2.343 518 V HA -0.330 3.790 4.120 -0.000 0.000 0.247 518 V C 2.250 178.280 176.094 -0.106 0.000 1.051 518 V CA 2.220 64.458 62.300 -0.103 0.000 1.036 518 V CB -0.966 30.814 31.823 -0.071 0.000 0.654 518 V HN 0.569 nan 8.190 nan 0.000 0.451 519 N N -0.539 118.109 118.700 -0.086 0.000 2.166 519 N HA -0.215 4.525 4.740 -0.000 0.000 0.186 519 N C 1.934 177.360 175.510 -0.140 0.000 1.019 519 N CA 1.194 54.190 53.050 -0.091 0.000 0.856 519 N CB -0.125 38.319 38.487 -0.071 0.000 0.993 519 N HN 0.589 nan 8.380 nan 0.000 0.426 520 Q N 0.423 120.086 119.800 -0.227 0.000 2.079 520 Q HA -0.054 4.286 4.340 -0.000 0.000 0.200 520 Q C 2.026 177.836 176.000 -0.317 0.000 0.974 520 Q CA 0.867 56.470 55.803 -0.334 0.000 0.840 520 Q CB -0.003 28.340 28.738 -0.659 0.000 0.898 520 Q HN 0.445 nan 8.270 nan 0.000 0.430 521 I N 0.653 121.023 120.570 -0.332 0.000 2.127 521 I HA -0.330 3.840 4.170 -0.000 0.000 0.241 521 I C 2.200 178.232 176.117 -0.141 0.000 1.075 521 I CA 1.296 62.497 61.300 -0.165 0.000 1.334 521 I CB -0.284 37.632 38.000 -0.140 0.000 1.040 521 I HN 0.196 nan 8.210 nan 0.000 0.405 522 I N 0.637 121.125 120.570 -0.136 0.000 2.151 522 I HA -0.345 3.825 4.170 -0.000 0.000 0.243 522 I C 2.735 178.796 176.117 -0.093 0.000 1.080 522 I CA 1.814 63.047 61.300 -0.112 0.000 1.339 522 I CB -0.566 37.429 38.000 -0.009 0.000 1.039 522 I HN 0.381 nan 8.210 nan 0.000 0.409 523 E N 0.762 120.916 120.200 -0.077 0.000 2.110 523 E HA -0.279 4.071 4.350 -0.000 0.000 0.193 523 E C 2.007 178.594 176.600 -0.022 0.000 0.988 523 E CA 1.216 57.587 56.400 -0.048 0.000 0.804 523 E CB -0.094 29.578 29.700 -0.047 0.000 0.745 523 E HN 0.506 nan 8.360 nan 0.000 0.458 524 Q N 0.608 120.398 119.800 -0.017 0.000 2.079 524 Q HA -0.058 4.282 4.340 -0.000 0.000 0.200 524 Q C 2.571 178.529 176.000 -0.070 0.000 0.974 524 Q CA 0.930 56.730 55.803 -0.005 0.000 0.840 524 Q CB -0.293 28.480 28.738 0.058 0.000 0.898 524 Q HN 0.418 nan 8.270 nan 0.000 0.430 525 L N 0.233 121.353 121.223 -0.172 0.000 2.083 525 L HA -0.162 4.178 4.340 -0.000 0.000 0.209 525 L C 2.298 179.076 176.870 -0.152 0.000 1.083 525 L CA 0.842 55.493 54.840 -0.314 0.000 0.752 525 L CB -0.352 41.212 42.059 -0.826 0.000 0.899 525 L HN 0.190 nan 8.230 nan 0.000 0.433 526 I N -0.639 119.920 120.570 -0.018 0.000 2.546 526 I HA -0.245 3.925 4.170 -0.000 0.000 0.255 526 I C 2.316 178.506 176.117 0.121 0.000 1.163 526 I CA 1.087 62.493 61.300 0.178 0.000 1.457 526 I CB -0.200 37.947 38.000 0.243 0.000 1.092 526 I HN 0.197 nan 8.210 nan 0.000 0.434 527 K N 0.663 121.095 120.400 0.053 0.000 2.228 527 K HA -0.019 4.301 4.320 -0.000 0.000 0.202 527 K C 0.651 177.268 176.600 0.029 0.000 1.051 527 K CA 0.505 56.817 56.287 0.042 0.000 0.960 527 K CB 0.255 32.768 32.500 0.022 0.000 0.743 527 K HN 0.078 nan 8.250 nan 0.000 0.458 528 K N 0.880 121.286 120.400 0.011 0.000 2.230 528 K HA -0.012 4.308 4.320 -0.000 0.000 0.253 528 K C 0.840 177.459 176.600 0.032 0.000 1.008 528 K CA 0.345 56.635 56.287 0.005 0.000 0.910 528 K CB 0.684 33.171 32.500 -0.023 0.000 0.994 528 K HN 0.052 nan 8.250 nan 0.000 0.495 529 E N 0.808 121.023 120.200 0.026 0.000 2.079 529 E HA 0.014 4.364 4.350 -0.000 0.000 0.191 529 E C -0.335 176.291 176.600 0.043 0.000 0.961 529 E CA 0.858 57.279 56.400 0.035 0.000 0.823 529 E CB 0.574 30.289 29.700 0.025 0.000 0.789 529 E HN 0.296 nan 8.360 nan 0.000 0.459 530 K N 0.522 120.944 120.400 0.037 0.000 2.501 530 K HA 0.445 4.765 4.320 -0.000 0.000 0.252 530 K C -1.390 175.238 176.600 0.046 0.000 0.934 530 K CA -0.517 55.800 56.287 0.051 0.000 0.797 530 K CB 2.965 35.491 32.500 0.044 0.000 1.270 530 K HN -0.159 nan 8.250 nan 0.000 0.431 531 V N 3.134 123.090 119.914 0.069 0.000 2.623 531 V HA 0.290 4.409 4.120 -0.000 0.000 0.304 531 V C -1.447 174.726 176.094 0.132 0.000 1.054 531 V CA -0.959 61.376 62.300 0.058 0.000 0.882 531 V CB 1.547 33.369 31.823 -0.001 0.000 1.002 531 V HN 0.716 nan 8.190 nan 0.000 0.424 532 Y N 5.779 126.078 120.300 -0.000 0.000 2.377 532 Y HA 0.832 5.382 4.550 -0.000 0.000 0.339 532 Y C -1.073 174.829 175.900 0.003 0.000 1.011 532 Y CA -1.199 56.907 58.100 0.011 0.000 1.093 532 Y CB 1.839 40.303 38.460 0.006 0.000 1.201 532 Y HN 0.614 nan 8.280 nan 0.000 0.455 533 L N 5.722 126.593 121.223 -0.587 0.000 2.410 533 L HA 0.960 5.300 4.340 -0.000 0.000 0.270 533 L C -1.495 175.021 176.870 -0.591 0.000 0.983 533 L CA -0.300 54.286 54.840 -0.423 0.000 0.822 533 L CB 1.573 43.520 42.059 -0.186 0.000 1.285 533 L HN 0.796 nan 8.230 nan 0.000 0.409 534 A N 3.623 126.226 122.820 -0.360 0.000 2.532 534 A HA 0.798 5.118 4.320 -0.000 0.000 0.290 534 A C -2.280 175.324 177.584 0.033 0.000 1.143 534 A CA -0.568 51.349 52.037 -0.199 0.000 0.728 534 A CB 1.053 19.967 19.000 -0.144 0.000 1.317 534 A HN 0.856 nan 8.150 nan 0.000 0.414 535 W N 0.714 121.960 121.300 -0.090 0.000 2.761 535 W HA 0.634 5.294 4.660 0.000 0.000 0.340 535 W C -1.146 175.366 176.519 -0.012 0.000 1.072 535 W CA -0.502 56.815 57.345 -0.048 0.000 1.215 535 W CB 1.949 31.377 29.460 -0.053 0.000 1.420 535 W HN 1.003 nan 8.180 nan 0.000 0.519 536 V N 2.773 122.063 119.914 -1.039 0.000 2.925 536 V HA 0.713 4.833 4.120 -0.000 0.000 0.311 536 V C -2.649 172.418 176.094 -1.712 0.000 1.104 536 V CA -2.861 58.806 62.300 -1.056 0.000 0.954 536 V CB 1.652 33.230 31.823 -0.408 0.000 1.022 536 V HN 0.517 nan 8.190 nan 0.000 0.427 537 P HA 0.329 nan 4.420 nan 0.000 0.271 537 P C -0.133 176.918 177.300 -0.415 0.000 1.216 537 P CA 0.408 63.074 63.100 -0.723 0.000 0.776 537 P CB 1.021 32.573 31.700 -0.247 0.000 0.881 538 A N 2.693 125.335 122.820 -0.297 0.000 2.322 538 A HA 0.289 4.609 4.320 -0.000 0.000 0.269 538 A C 0.207 177.618 177.584 -0.288 0.000 1.094 538 A CA -0.227 51.588 52.037 -0.370 0.000 0.807 538 A CB -0.838 17.854 19.000 -0.513 0.000 1.047 538 A HN 0.832 nan 8.150 nan 0.000 0.487 539 H N -1.793 117.253 119.070 -0.040 0.000 2.969 539 H HA -0.124 4.432 4.556 -0.000 0.000 0.269 539 H C -0.024 175.286 175.328 -0.030 0.000 1.230 539 H CA 1.028 57.061 56.048 -0.026 0.000 1.123 539 H CB -1.372 28.385 29.762 -0.008 0.000 1.289 539 H HN 0.539 nan 8.280 nan 0.000 0.364 540 K N -0.428 119.985 120.400 0.023 0.000 2.502 540 K HA 0.554 4.874 4.320 -0.000 0.000 0.256 540 K C 1.627 178.223 176.600 -0.006 0.000 1.053 540 K CA 0.054 56.343 56.287 0.003 0.000 1.002 540 K CB 0.347 32.826 32.500 -0.034 0.000 1.384 540 K HN 0.126 nan 8.250 nan 0.000 0.537 541 G N 0.601 109.391 108.800 -0.015 0.000 2.813 541 G HA2 0.070 4.029 3.960 -0.000 0.000 0.209 541 G HA3 0.070 4.029 3.960 -0.000 0.000 0.209 541 G C 0.186 175.061 174.900 -0.042 0.000 1.150 541 G CA -0.143 44.944 45.100 -0.023 0.000 0.785 541 G HN 0.476 nan 8.290 nan 0.000 0.535 542 I N 2.154 122.695 120.570 -0.047 0.000 3.398 542 I HA -0.112 4.058 4.170 -0.000 0.000 0.341 542 I C 1.694 177.759 176.117 -0.087 0.000 1.242 542 I CA 0.379 61.648 61.300 -0.052 0.000 1.442 542 I CB -1.493 36.474 38.000 -0.055 0.000 1.342 542 I HN 0.128 nan 8.210 nan 0.000 0.488 543 G N 6.077 114.812 108.800 -0.109 0.000 3.906 543 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.355 543 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.355 543 G C 1.318 175.982 174.900 -0.393 0.000 0.859 543 G CA 1.148 46.119 45.100 -0.214 0.000 0.776 543 G HN 0.982 nan 8.290 nan 0.000 1.403 544 G N 0.170 108.443 108.800 -0.878 0.000 2.717 544 G HA2 -0.431 3.529 3.960 -0.000 0.000 0.224 544 G HA3 -0.431 3.529 3.960 -0.000 0.000 0.224 544 G C 1.676 176.261 174.900 -0.525 0.000 1.088 544 G CA 1.603 45.970 45.100 -1.222 0.000 0.734 544 G HN 0.714 nan 8.290 nan 0.000 0.616 545 N N 0.604 119.143 118.700 -0.268 0.000 2.106 545 N HA -0.122 4.618 4.740 -0.000 0.000 0.188 545 N C 2.170 177.644 175.510 -0.059 0.000 1.029 545 N CA 1.560 54.594 53.050 -0.027 0.000 0.848 545 N CB -0.274 38.209 38.487 -0.006 0.000 1.007 545 N HN 0.569 nan 8.380 nan 0.000 0.423 546 E N 0.146 120.295 120.200 -0.086 0.000 2.209 546 E HA -0.215 4.135 4.350 -0.000 0.000 0.196 546 E C 1.797 178.368 176.600 -0.048 0.000 0.993 546 E CA 1.175 57.545 56.400 -0.051 0.000 0.819 546 E CB 0.140 29.808 29.700 -0.053 0.000 0.745 546 E HN 0.417 nan 8.360 nan 0.000 0.477 547 Q N -0.516 119.235 119.800 -0.082 0.000 2.123 547 Q HA -0.036 4.304 4.340 -0.000 0.000 0.196 547 Q C 2.160 178.141 176.000 -0.031 0.000 0.958 547 Q CA 1.316 57.079 55.803 -0.066 0.000 0.841 547 Q CB 0.276 28.953 28.738 -0.101 0.000 0.915 547 Q HN 0.163 nan 8.270 nan 0.000 0.455 548 V N 1.072 120.979 119.914 -0.012 0.000 2.667 548 V HA -0.193 3.927 4.120 -0.000 0.000 0.252 548 V C 1.642 177.749 176.094 0.022 0.000 1.065 548 V CA 1.745 64.061 62.300 0.026 0.000 1.083 548 V CB -0.492 31.385 31.823 0.090 0.000 0.692 548 V HN 0.374 nan 8.190 nan 0.000 0.468 549 D N 1.098 121.507 120.400 0.015 0.000 2.097 549 D HA -0.219 4.421 4.640 -0.000 0.000 0.197 549 D C 2.190 178.506 176.300 0.027 0.000 0.984 549 D CA 1.779 55.794 54.000 0.025 0.000 0.826 549 D CB -0.089 40.726 40.800 0.026 0.000 0.973 549 D HN 0.515 nan 8.370 nan 0.000 0.460 550 K N -0.150 120.259 120.400 0.014 0.000 2.057 550 K HA -0.122 4.198 4.320 -0.000 0.000 0.206 550 K C 2.211 178.812 176.600 0.002 0.000 1.050 550 K CA 1.102 57.394 56.287 0.009 0.000 0.935 550 K CB -0.535 31.963 32.500 -0.002 0.000 0.715 550 K HN 0.188 nan 8.250 nan 0.000 0.439 551 L N 1.027 122.247 121.223 -0.005 0.000 2.013 551 L HA -0.127 4.212 4.340 -0.000 0.000 0.212 551 L C 2.137 179.003 176.870 -0.007 0.000 1.073 551 L CA 1.563 56.396 54.840 -0.012 0.000 0.753 551 L CB -0.491 41.556 42.059 -0.021 0.000 0.890 551 L HN 0.147 nan 8.230 nan 0.000 0.432 552 V N -1.436 118.481 119.914 0.004 0.000 2.871 552 V HA -0.125 3.995 4.120 -0.000 0.000 0.256 552 V C 2.458 178.563 176.094 0.018 0.000 1.082 552 V CA 1.497 63.803 62.300 0.011 0.000 1.105 552 V CB 0.263 32.100 31.823 0.024 0.000 0.713 552 V HN 0.523 nan 8.190 nan 0.000 0.473 553 S N 0.112 115.825 115.700 0.022 0.000 2.406 553 S HA 0.114 4.584 4.470 -0.000 0.000 0.228 553 S C 1.284 175.893 174.600 0.015 0.000 1.020 553 S CA 0.564 58.780 58.200 0.026 0.000 0.965 553 S CB -0.306 62.914 63.200 0.033 0.000 0.798 553 S HN 0.610 nan 8.310 nan 0.000 0.488 554 A N 1.005 123.830 122.820 0.008 0.000 2.540 554 A HA 0.376 4.696 4.320 -0.000 0.000 0.268 554 A C 1.538 179.124 177.584 0.003 0.000 1.061 554 A CA 0.766 52.804 52.037 0.002 0.000 0.821 554 A CB -1.231 17.767 19.000 -0.003 0.000 0.970 554 A HN 0.977 nan 8.150 nan 0.000 0.524 555 G N 1.657 110.459 108.800 0.003 0.000 2.253 555 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.251 555 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.251 555 G C 0.180 175.084 174.900 0.006 0.000 0.998 555 G CA 0.545 45.647 45.100 0.003 0.000 0.621 555 G HN 1.030 nan 8.290 nan 0.000 0.524 556 I N 1.703 122.279 120.570 0.010 0.000 2.997 556 I HA 0.562 4.732 4.170 -0.000 0.000 0.329 556 I C 0.529 176.657 176.117 0.018 0.000 1.367 556 I CA -0.149 61.159 61.300 0.014 0.000 0.902 556 I CB 0.581 38.591 38.000 0.016 0.000 2.104 556 I HN 0.634 nan 8.210 nan 0.000 0.581 557 R N 0.000 120.508 120.500 0.014 0.000 2.786 557 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 557 R CA 0.000 56.109 56.100 0.014 0.000 0.921 557 R CB 0.000 30.314 30.300 0.023 0.000 0.687 557 R HN 0.000 nan 8.270 nan 0.000 0.535