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 3meg_1_A DATA FIRST_RESID 1 DATA SEQUENCE PISPIETVPV KLKPGMDGPK VKQWPLTEEK IKALVEICTE MEKEGKISKI DATA SEQUENCE GPENPYNTPV FAIKKKDSTK WRKLVDFREL NKRTQDFWEV QLGIPHPAGL DATA SEQUENCE KKNKSVTVLD 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 LV 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 0.000 177.360 177.300 0.099 0.000 1.155 1 P CA 0.000 63.143 63.100 0.072 0.000 0.800 1 P CB 0.000 31.733 31.700 0.054 0.000 0.726 2 I N 0.423 121.046 120.570 0.088 0.000 2.390 2 I HA 0.295 4.465 4.170 -0.001 0.000 0.283 2 I C 0.437 176.616 176.117 0.104 0.000 1.016 2 I CA -0.690 60.675 61.300 0.109 0.000 1.151 2 I CB 1.673 39.729 38.000 0.094 0.000 1.293 2 I HN 0.387 nan 8.210 nan 0.000 0.458 3 S N 8.154 123.934 115.700 0.133 0.000 2.642 3 S HA 0.043 4.513 4.470 -0.001 0.000 0.308 3 S C -1.035 173.659 174.600 0.157 0.000 1.255 3 S CA -0.682 57.613 58.200 0.158 0.000 1.057 3 S CB 0.554 63.866 63.200 0.187 0.000 0.785 3 S HN 0.486 nan 8.310 nan 0.000 0.500 4 P HA 0.014 nan 4.420 nan 0.000 0.239 4 P C 0.811 178.268 177.300 0.262 0.000 1.184 4 P CA 0.137 63.312 63.100 0.124 0.000 0.760 4 P CB -0.280 31.392 31.700 -0.047 0.000 0.884 5 I N 0.520 121.300 120.570 0.350 0.000 3.045 5 I HA -0.086 4.084 4.170 -0.001 0.000 0.288 5 I C 0.193 176.406 176.117 0.160 0.000 1.238 5 I CA -0.200 61.264 61.300 0.273 0.000 1.396 5 I CB 0.658 38.726 38.000 0.114 0.000 1.355 5 I HN -0.150 nan 8.210 nan 0.000 0.601 6 E N 3.611 123.882 120.200 0.119 0.000 2.408 6 E HA 0.181 4.530 4.350 -0.001 0.000 0.259 6 E C -0.136 176.507 176.600 0.073 0.000 1.110 6 E CA -0.192 56.261 56.400 0.088 0.000 0.929 6 E CB 0.390 30.131 29.700 0.068 0.000 0.971 6 E HN 0.643 nan 8.360 nan 0.000 0.438 7 T N -2.330 112.268 114.554 0.074 0.000 2.927 7 T HA 0.498 4.847 4.350 -0.001 0.000 0.281 7 T C -0.093 174.650 174.700 0.072 0.000 0.998 7 T CA -1.046 61.099 62.100 0.076 0.000 1.019 7 T CB 0.865 69.784 68.868 0.086 0.000 1.061 7 T HN 0.148 nan 8.240 nan 0.000 0.518 8 V N 4.252 124.214 119.914 0.080 0.000 2.406 8 V HA 0.371 4.490 4.120 -0.001 0.000 0.272 8 V C -1.839 174.321 176.094 0.110 0.000 1.043 8 V CA -1.824 60.531 62.300 0.091 0.000 0.915 8 V CB 0.799 32.684 31.823 0.103 0.000 0.988 8 V HN 0.851 nan 8.190 nan 0.000 0.466 9 P HA 0.211 nan 4.420 nan 0.000 0.271 9 P C -0.726 176.641 177.300 0.111 0.000 1.216 9 P CA 0.286 63.449 63.100 0.106 0.000 0.771 9 P CB 1.642 33.392 31.700 0.084 0.000 0.864 10 V N 1.961 121.938 119.914 0.106 0.000 2.971 10 V HA 0.789 4.909 4.120 -0.001 0.000 0.309 10 V C -1.228 174.933 176.094 0.111 0.000 1.130 10 V CA -0.878 61.452 62.300 0.049 0.000 0.964 10 V CB 2.439 34.248 31.823 -0.023 0.000 1.029 10 V HN 0.596 nan 8.190 nan 0.000 0.427 11 K N 4.433 124.880 120.400 0.079 0.000 2.477 11 K HA 0.702 5.022 4.320 -0.001 0.000 0.255 11 K C -1.314 175.376 176.600 0.149 0.000 0.952 11 K CA -0.733 55.653 56.287 0.166 0.000 0.826 11 K CB 1.756 34.301 32.500 0.075 0.000 1.331 11 K HN 0.705 nan 8.250 nan 0.000 0.437 12 L N 2.741 124.033 121.223 0.116 0.000 2.464 12 L HA 0.306 4.645 4.340 -0.001 0.000 0.264 12 L C 0.444 177.315 176.870 0.000 0.000 1.199 12 L CA 0.001 54.865 54.840 0.040 0.000 0.818 12 L CB 0.188 42.164 42.059 -0.139 0.000 1.102 12 L HN 0.751 nan 8.230 nan 0.000 0.473 13 K N 2.797 123.195 120.400 -0.004 0.000 2.542 13 K HA -0.051 4.268 4.320 -0.001 0.000 0.276 13 K C -1.283 175.310 176.600 -0.012 0.000 0.963 13 K CA -0.817 55.460 56.287 -0.017 0.000 0.975 13 K CB 0.106 32.600 32.500 -0.010 0.000 0.901 13 K HN 0.451 nan 8.250 nan 0.000 0.506 14 P HA -0.197 nan 4.420 nan 0.000 0.218 14 P C 1.189 178.493 177.300 0.006 0.000 1.148 14 P CA 1.626 64.725 63.100 -0.002 0.000 0.822 14 P CB 0.065 31.763 31.700 -0.003 0.000 0.784 15 G N 0.719 109.523 108.800 0.007 0.000 2.424 15 G HA2 -0.068 3.891 3.960 -0.001 0.000 0.214 15 G HA3 -0.068 3.891 3.960 -0.001 0.000 0.214 15 G C 1.070 175.980 174.900 0.017 0.000 1.202 15 G CA 0.871 45.979 45.100 0.014 0.000 0.793 15 G HN 0.208 nan 8.290 nan 0.000 0.534 16 M N 1.011 120.617 119.600 0.010 0.000 2.154 16 M HA 0.424 4.904 4.480 -0.001 0.000 0.251 16 M C -0.558 175.740 176.300 -0.004 0.000 1.200 16 M CA -0.395 54.912 55.300 0.012 0.000 0.967 16 M CB 0.575 33.181 32.600 0.010 0.000 1.362 16 M HN 0.294 nan 8.290 nan 0.000 0.522 17 D N -0.671 119.734 120.400 0.008 0.000 2.614 17 D HA 0.530 5.169 4.640 -0.001 0.000 0.264 17 D C -0.074 176.164 176.300 -0.103 0.000 1.092 17 D CA -0.506 53.476 54.000 -0.029 0.000 1.071 17 D CB 0.745 41.638 40.800 0.156 0.000 1.443 17 D HN 0.777 nan 8.370 nan 0.000 0.528 18 G N -0.076 108.526 108.800 -0.330 0.000 2.647 18 G HA2 0.330 4.289 3.960 -0.001 0.000 0.234 18 G HA3 0.330 4.289 3.960 -0.001 0.000 0.234 18 G C -2.154 172.727 174.900 -0.032 0.000 1.252 18 G CA -0.562 44.277 45.100 -0.434 0.000 0.846 18 G HN 0.426 nan 8.290 nan 0.000 0.589 19 P HA 0.223 nan 4.420 nan 0.000 0.272 19 P C -0.827 176.629 177.300 0.259 0.000 1.230 19 P CA -0.110 63.081 63.100 0.153 0.000 0.788 19 P CB 0.903 32.689 31.700 0.143 0.000 0.949 20 K N 0.936 121.456 120.400 0.201 0.000 2.827 20 K HA 0.354 4.673 4.320 -0.001 0.000 0.186 20 K C -1.016 175.658 176.600 0.123 0.000 1.093 20 K CA -0.491 55.902 56.287 0.177 0.000 0.993 20 K CB 1.045 33.636 32.500 0.152 0.000 1.199 20 K HN 0.165 nan 8.250 nan 0.000 0.598 21 V N 1.679 121.666 119.914 0.121 0.000 2.427 21 V HA 0.270 4.390 4.120 -0.001 0.000 0.286 21 V C 0.212 176.364 176.094 0.096 0.000 1.034 21 V CA -0.960 61.403 62.300 0.105 0.000 0.893 21 V CB 1.410 33.297 31.823 0.106 0.000 0.982 21 V HN 0.426 nan 8.190 nan 0.000 0.452 22 K N 3.054 123.511 120.400 0.095 0.000 2.326 22 K HA 0.199 4.519 4.320 -0.001 0.000 0.275 22 K C 0.008 176.674 176.600 0.111 0.000 1.018 22 K CA -0.149 56.193 56.287 0.092 0.000 0.962 22 K CB 0.647 33.206 32.500 0.098 0.000 0.953 22 K HN 0.729 nan 8.250 nan 0.000 0.475 23 Q N 4.610 124.459 119.800 0.081 0.000 2.295 23 Q HA 0.051 4.390 4.340 -0.001 0.000 0.259 23 Q C -1.233 174.836 176.000 0.115 0.000 0.976 23 Q CA -0.224 55.619 55.803 0.067 0.000 0.923 23 Q CB 0.470 29.213 28.738 0.009 0.000 1.185 23 Q HN 0.661 nan 8.270 nan 0.000 0.410 24 W N 7.662 128.915 121.300 -0.079 0.000 2.193 24 W HA 0.147 4.807 4.660 -0.001 0.000 0.338 24 W C -2.213 174.241 176.519 -0.108 0.000 1.310 24 W CA -1.604 55.711 57.345 -0.050 0.000 1.243 24 W CB 0.757 30.243 29.460 0.044 0.000 1.165 24 W HN 0.569 nan 8.180 nan 0.000 0.566 25 P HA 0.171 nan 4.420 nan 0.000 0.275 25 P C -1.041 176.043 177.300 -0.361 0.000 1.227 25 P CA 0.309 63.148 63.100 -0.436 0.000 0.781 25 P CB 1.219 32.620 31.700 -0.499 0.000 0.906 26 L N 1.709 122.821 121.223 -0.185 0.000 2.333 26 L HA 0.441 4.780 4.340 -0.001 0.000 0.269 26 L C 1.198 178.032 176.870 -0.059 0.000 1.010 26 L CA -0.867 53.931 54.840 -0.070 0.000 0.818 26 L CB 1.708 43.715 42.059 -0.087 0.000 1.306 26 L HN 0.371 nan 8.230 nan 0.000 0.430 27 T N -2.639 111.916 114.554 0.001 0.000 2.855 27 T HA -0.012 4.338 4.350 -0.001 0.000 0.322 27 T C 0.858 175.530 174.700 -0.047 0.000 1.088 27 T CA -0.343 61.753 62.100 -0.006 0.000 1.104 27 T CB 0.707 69.603 68.868 0.046 0.000 0.996 27 T HN 0.590 nan 8.240 nan 0.000 0.549 28 E N 0.333 120.510 120.200 -0.039 0.000 2.265 28 E HA -0.111 4.238 4.350 -0.001 0.000 0.196 28 E C 2.153 178.705 176.600 -0.081 0.000 0.996 28 E CA 1.287 57.654 56.400 -0.054 0.000 0.832 28 E CB -0.058 29.622 29.700 -0.033 0.000 0.756 28 E HN 0.872 nan 8.360 nan 0.000 0.491 29 E N 0.547 120.692 120.200 -0.091 0.000 2.201 29 E HA -0.061 4.288 4.350 -0.001 0.000 0.193 29 E C 1.393 177.757 176.600 -0.393 0.000 0.957 29 E CA 0.433 56.740 56.400 -0.155 0.000 0.858 29 E CB -0.103 29.576 29.700 -0.034 0.000 0.816 29 E HN 0.089 nan 8.360 nan 0.000 0.475 30 K N 0.884 121.046 120.400 -0.395 0.000 2.103 30 K HA -0.058 4.261 4.320 -0.001 0.000 0.207 30 K C 2.341 178.733 176.600 -0.346 0.000 1.048 30 K CA 1.582 57.557 56.287 -0.520 0.000 0.930 30 K CB -0.172 32.203 32.500 -0.209 0.000 0.716 30 K HN 0.226 nan 8.250 nan 0.000 0.444 31 I N 1.287 121.727 120.570 -0.216 0.000 2.286 31 I HA -0.272 3.897 4.170 -0.001 0.000 0.248 31 I C 2.643 178.666 176.117 -0.158 0.000 1.115 31 I CA 1.160 62.369 61.300 -0.152 0.000 1.392 31 I CB -0.268 37.667 38.000 -0.108 0.000 1.065 31 I HN 0.210 nan 8.210 nan 0.000 0.418 32 K N 1.504 121.789 120.400 -0.191 0.000 2.025 32 K HA -0.165 4.154 4.320 -0.001 0.000 0.207 32 K C 2.263 178.747 176.600 -0.194 0.000 1.049 32 K CA 1.427 57.619 56.287 -0.158 0.000 0.933 32 K CB -0.071 32.347 32.500 -0.136 0.000 0.714 32 K HN 0.241 nan 8.250 nan 0.000 0.438 33 A N 1.943 124.546 122.820 -0.362 0.000 1.865 33 A HA -0.178 4.142 4.320 -0.001 0.000 0.217 33 A C 2.188 179.665 177.584 -0.178 0.000 1.191 33 A CA 1.626 53.441 52.037 -0.370 0.000 0.623 33 A CB -0.894 17.596 19.000 -0.850 0.000 0.826 33 A HN 0.350 nan 8.150 nan 0.000 0.444 34 L N -0.483 120.639 121.223 -0.169 0.000 2.089 34 L HA -0.225 4.114 4.340 -0.001 0.000 0.213 34 L C 2.522 179.366 176.870 -0.043 0.000 1.079 34 L CA 1.425 56.224 54.840 -0.069 0.000 0.758 34 L CB -0.744 41.291 42.059 -0.040 0.000 0.891 34 L HN 0.279 nan 8.230 nan 0.000 0.433 35 V N -0.344 119.542 119.914 -0.046 0.000 2.427 35 V HA -0.236 3.884 4.120 -0.001 0.000 0.248 35 V C 2.352 178.434 176.094 -0.019 0.000 1.051 35 V CA 1.611 63.904 62.300 -0.013 0.000 1.048 35 V CB -0.352 31.465 31.823 -0.011 0.000 0.666 35 V HN 0.449 nan 8.190 nan 0.000 0.456 36 E N 0.052 120.234 120.200 -0.030 0.000 2.017 36 E HA -0.196 4.153 4.350 -0.001 0.000 0.193 36 E C 2.216 178.811 176.600 -0.009 0.000 0.997 36 E CA 1.648 58.041 56.400 -0.011 0.000 0.804 36 E CB -0.223 29.474 29.700 -0.003 0.000 0.757 36 E HN 0.506 nan 8.360 nan 0.000 0.448 37 I N 0.953 121.517 120.570 -0.010 0.000 2.087 37 I HA -0.397 3.772 4.170 -0.001 0.000 0.240 37 I C 2.502 178.581 176.117 -0.064 0.000 1.054 37 I CA 1.154 62.450 61.300 -0.006 0.000 1.311 37 I CB -0.435 37.573 38.000 0.014 0.000 1.024 37 I HN 0.303 nan 8.210 nan 0.000 0.402 38 C N -0.036 119.183 119.300 -0.135 0.000 2.432 38 C HA -0.107 4.352 4.460 -0.001 0.000 0.280 38 C C 2.949 177.789 174.990 -0.250 0.000 1.353 38 C CA 1.093 59.910 59.018 -0.335 0.000 1.766 38 C CB -1.261 26.094 27.740 -0.641 0.000 1.924 38 C HN 0.537 nan 8.230 nan 0.000 0.509 39 T N 0.630 115.134 114.554 -0.083 0.000 2.708 39 T HA -0.156 4.193 4.350 -0.001 0.000 0.266 39 T C 1.806 176.498 174.700 -0.014 0.000 1.037 39 T CA 1.266 63.362 62.100 -0.005 0.000 1.146 39 T CB -0.237 68.641 68.868 0.017 0.000 0.865 39 T HN 0.584 nan 8.240 nan 0.000 0.435 40 E N 0.962 121.152 120.200 -0.016 0.000 2.013 40 E HA -0.152 4.198 4.350 -0.001 0.000 0.202 40 E C 2.311 178.903 176.600 -0.012 0.000 1.018 40 E CA 1.398 57.797 56.400 0.000 0.000 0.834 40 E CB -0.371 29.340 29.700 0.017 0.000 0.770 40 E HN 0.504 nan 8.360 nan 0.000 0.459 41 M N 0.289 119.862 119.600 -0.044 0.000 2.106 41 M HA -0.235 4.244 4.480 -0.001 0.000 0.259 41 M C 2.381 178.632 176.300 -0.082 0.000 1.068 41 M CA 1.687 56.942 55.300 -0.077 0.000 1.100 41 M CB -0.485 32.013 32.600 -0.170 0.000 1.351 41 M HN 0.150 nan 8.290 nan 0.000 0.404 42 E N 0.885 121.036 120.200 -0.081 0.000 2.118 42 E HA -0.246 4.104 4.350 -0.001 0.000 0.195 42 E C 1.805 178.408 176.600 0.006 0.000 0.992 42 E CA 1.436 57.827 56.400 -0.015 0.000 0.804 42 E CB 0.019 29.767 29.700 0.080 0.000 0.741 42 E HN 0.343 nan 8.360 nan 0.000 0.458 43 K N -0.020 120.384 120.400 0.006 0.000 2.439 43 K HA -0.057 4.262 4.320 -0.001 0.000 0.197 43 K C 1.351 177.959 176.600 0.014 0.000 1.041 43 K CA 1.023 57.317 56.287 0.013 0.000 0.970 43 K CB 0.299 32.808 32.500 0.015 0.000 0.773 43 K HN 0.245 nan 8.250 nan 0.000 0.479 44 E N -1.853 118.354 120.200 0.012 0.000 2.431 44 E HA 0.111 4.460 4.350 -0.001 0.000 0.200 44 E C 1.079 177.694 176.600 0.024 0.000 0.995 44 E CA 0.705 57.120 56.400 0.025 0.000 0.915 44 E CB 0.971 30.695 29.700 0.040 0.000 0.930 44 E HN 0.373 nan 8.360 nan 0.000 0.496 45 G N 2.023 110.827 108.800 0.007 0.000 2.238 45 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.217 45 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.217 45 G C 1.204 176.096 174.900 -0.013 0.000 0.996 45 G CA 0.289 45.395 45.100 0.009 0.000 0.632 45 G HN 0.027 nan 8.290 nan 0.000 0.503 46 K N 0.610 120.981 120.400 -0.049 0.000 2.113 46 K HA 0.027 4.347 4.320 -0.001 0.000 0.208 46 K C 1.638 178.123 176.600 -0.193 0.000 1.047 46 K CA 1.883 58.089 56.287 -0.134 0.000 0.928 46 K CB -0.430 31.899 32.500 -0.285 0.000 0.716 46 K HN 0.957 nan 8.250 nan 0.000 0.446 47 I N -3.781 116.677 120.570 -0.186 0.000 3.042 47 I HA 0.446 4.616 4.170 -0.001 0.000 0.310 47 I C -0.886 175.231 176.117 0.000 0.000 1.117 47 I CA -0.954 60.244 61.300 -0.170 0.000 1.003 47 I CB 2.631 40.447 38.000 -0.307 0.000 1.228 47 I HN -0.331 nan 8.210 nan 0.000 0.443 48 S N 1.717 117.451 115.700 0.058 0.000 2.548 48 S HA 0.394 4.864 4.470 -0.001 0.000 0.276 48 S C -0.796 173.787 174.600 -0.027 0.000 1.129 48 S CA -0.793 57.438 58.200 0.053 0.000 0.931 48 S CB 1.919 65.118 63.200 -0.002 0.000 1.068 48 S HN 0.556 nan 8.310 nan 0.000 0.480 49 K N 2.571 122.873 120.400 -0.164 0.000 2.382 49 K HA 0.389 4.708 4.320 -0.001 0.000 0.275 49 K C -0.371 176.060 176.600 -0.283 0.000 1.009 49 K CA 0.012 56.022 56.287 -0.462 0.000 0.970 49 K CB 0.215 32.431 32.500 -0.473 0.000 0.934 49 K HN 0.645 nan 8.250 nan 0.000 0.479 50 I N -0.855 119.534 120.570 -0.302 0.000 2.730 50 I HA 0.457 4.626 4.170 -0.001 0.000 0.298 50 I C 0.145 176.150 176.117 -0.186 0.000 1.089 50 I CA -1.228 59.953 61.300 -0.198 0.000 1.041 50 I CB 1.997 39.900 38.000 -0.161 0.000 1.235 50 I HN 0.534 nan 8.210 nan 0.000 0.423 51 G N 3.691 112.406 108.800 -0.142 0.000 2.378 51 G HA2 0.398 4.358 3.960 -0.001 0.000 0.255 51 G HA3 0.398 4.358 3.960 -0.001 0.000 0.255 51 G C -2.208 172.618 174.900 -0.123 0.000 1.270 51 G CA -1.136 43.888 45.100 -0.126 0.000 0.876 51 G HN 0.595 nan 8.290 nan 0.000 0.521 52 P HA 0.076 nan 4.420 nan 0.000 0.286 52 P C 0.605 177.840 177.300 -0.108 0.000 1.577 52 P CA 0.323 63.354 63.100 -0.114 0.000 0.805 52 P CB 0.232 31.869 31.700 -0.105 0.000 1.706 53 E N -0.967 119.168 120.200 -0.108 0.000 2.299 53 E HA -0.064 4.286 4.350 -0.001 0.000 0.193 53 E C 1.017 177.529 176.600 -0.148 0.000 0.998 53 E CA 0.229 56.562 56.400 -0.111 0.000 0.851 53 E CB -0.426 29.217 29.700 -0.095 0.000 0.795 53 E HN 0.197 nan 8.360 nan 0.000 0.492 54 N N 1.876 120.484 118.700 -0.153 0.000 2.416 54 N HA -0.019 4.720 4.740 -0.001 0.000 0.271 54 N C -1.882 173.475 175.510 -0.255 0.000 1.245 54 N CA -1.024 51.908 53.050 -0.196 0.000 0.940 54 N CB 0.883 39.292 38.487 -0.129 0.000 1.175 54 N HN -0.118 nan 8.380 nan 0.000 0.483 55 P HA -0.050 nan 4.420 nan 0.000 0.222 55 P C -0.465 176.618 177.300 -0.362 0.000 1.147 55 P CA 1.113 63.932 63.100 -0.469 0.000 0.790 55 P CB 0.013 31.302 31.700 -0.685 0.000 0.780 56 Y N -0.184 120.107 120.300 -0.015 0.000 2.301 56 Y HA 0.396 4.945 4.550 -0.001 0.000 0.325 56 Y C 1.067 176.988 175.900 0.034 0.000 1.203 56 Y CA -0.727 57.389 58.100 0.027 0.000 1.255 56 Y CB 0.324 38.805 38.460 0.036 0.000 1.232 56 Y HN -0.136 nan 8.280 nan 0.000 0.501 57 N N -0.125 118.718 118.700 0.239 0.000 2.396 57 N HA 0.478 5.218 4.740 -0.001 0.000 0.275 57 N C -1.866 173.744 175.510 0.167 0.000 1.218 57 N CA -0.398 52.753 53.050 0.168 0.000 0.812 57 N CB 2.163 40.713 38.487 0.105 0.000 1.592 57 N HN 0.626 nan 8.380 nan 0.000 0.480 58 T N 2.334 116.979 114.554 0.152 0.000 2.952 58 T HA 0.458 4.808 4.350 -0.001 0.000 0.305 58 T C -2.734 172.005 174.700 0.065 0.000 1.064 58 T CA -0.747 61.404 62.100 0.086 0.000 1.008 58 T CB 2.207 71.082 68.868 0.011 0.000 1.078 58 T HN 0.396 nan 8.240 nan 0.000 0.459 59 P HA 0.329 nan 4.420 nan 0.000 0.271 59 P C -0.949 176.342 177.300 -0.015 0.000 1.233 59 P CA -0.353 62.769 63.100 0.036 0.000 0.789 59 P CB 0.792 32.561 31.700 0.115 0.000 0.951 60 V N 2.185 122.048 119.914 -0.085 0.000 2.752 60 V HA 0.539 4.658 4.120 -0.001 0.000 0.302 60 V C -1.463 174.524 176.094 -0.178 0.000 1.133 60 V CA -0.513 61.741 62.300 -0.077 0.000 0.919 60 V CB 1.059 32.841 31.823 -0.068 0.000 1.026 60 V HN 0.330 nan 8.190 nan 0.000 0.429 61 F N 3.880 123.844 119.950 0.024 0.000 2.661 61 F HA 0.953 5.480 4.527 -0.001 0.000 0.347 61 F C 0.403 176.241 175.800 0.064 0.000 1.086 61 F CA -0.169 57.867 58.000 0.060 0.000 1.016 61 F CB 2.315 41.358 39.000 0.072 0.000 1.368 61 F HN 0.675 nan 8.300 nan 0.000 0.505 62 A N 1.960 124.986 122.820 0.344 0.000 2.599 62 A HA 0.538 4.858 4.320 -0.001 0.000 0.281 62 A C -1.379 176.485 177.584 0.466 0.000 1.137 62 A CA -0.331 51.887 52.037 0.301 0.000 0.767 62 A CB 0.475 19.554 19.000 0.131 0.000 1.266 62 A HN 0.726 nan 8.150 nan 0.000 0.420 63 I N 1.476 122.268 120.570 0.370 0.000 2.428 63 I HA 0.414 4.583 4.170 -0.001 0.000 0.289 63 I C 0.419 176.664 176.117 0.213 0.000 1.019 63 I CA -0.741 60.731 61.300 0.288 0.000 1.351 63 I CB 1.040 39.117 38.000 0.129 0.000 1.412 63 I HN 0.528 nan 8.210 nan 0.000 0.513 64 K N 8.099 128.456 120.400 -0.072 0.000 2.166 64 K HA 0.049 4.369 4.320 -0.001 0.000 0.273 64 K C 0.818 177.216 176.600 -0.337 0.000 1.095 64 K CA 0.287 56.182 56.287 -0.654 0.000 0.985 64 K CB 0.058 32.044 32.500 -0.856 0.000 1.172 64 K HN 0.613 nan 8.250 nan 0.000 0.401 65 K N 2.162 122.429 120.400 -0.221 0.000 2.200 65 K HA -0.271 4.049 4.320 -0.001 0.000 0.232 65 K C -0.057 176.474 176.600 -0.114 0.000 0.841 65 K CA 1.893 58.117 56.287 -0.105 0.000 1.002 65 K CB 0.006 32.463 32.500 -0.072 0.000 0.576 65 K HN 0.419 nan 8.250 nan 0.000 0.748 66 K N -0.515 119.816 120.400 -0.115 0.000 2.380 66 K HA 0.143 4.462 4.320 -0.001 0.000 0.243 66 K C 0.815 177.345 176.600 -0.117 0.000 1.071 66 K CA -0.038 56.191 56.287 -0.096 0.000 0.942 66 K CB 0.493 32.954 32.500 -0.065 0.000 1.324 66 K HN 0.164 nan 8.250 nan 0.000 0.517 67 D N -0.238 120.110 120.400 -0.087 0.000 2.221 67 D HA -0.112 4.527 4.640 -0.001 0.000 0.204 67 D C 0.012 176.261 176.300 -0.084 0.000 0.982 67 D CA 1.116 55.066 54.000 -0.083 0.000 0.857 67 D CB 0.019 40.784 40.800 -0.057 0.000 0.934 67 D HN 0.224 nan 8.370 nan 0.000 0.475 68 S N 0.668 116.323 115.700 -0.074 0.000 2.519 68 S HA 0.033 4.503 4.470 -0.001 0.000 0.310 68 S C 0.270 174.811 174.600 -0.098 0.000 1.201 68 S CA -0.488 57.672 58.200 -0.067 0.000 1.179 68 S CB -0.332 62.839 63.200 -0.048 0.000 1.104 68 S HN 0.243 nan 8.310 nan 0.000 0.527 69 T N 3.209 117.701 114.554 -0.103 0.000 3.826 69 T HA 0.329 4.678 4.350 -0.001 0.000 0.239 69 T C -0.088 174.535 174.700 -0.128 0.000 1.007 69 T CA -0.280 61.724 62.100 -0.159 0.000 1.171 69 T CB -0.471 68.328 68.868 -0.115 0.000 1.153 69 T HN 0.492 nan 8.240 nan 0.000 0.854 70 K N 1.311 121.625 120.400 -0.144 0.000 2.352 70 K HA 0.704 5.023 4.320 -0.001 0.000 0.240 70 K C -1.121 175.398 176.600 -0.135 0.000 1.017 70 K CA -0.871 55.382 56.287 -0.057 0.000 0.851 70 K CB 1.665 34.177 32.500 0.020 0.000 1.261 70 K HN 0.504 nan 8.250 nan 0.000 0.451 71 W N 0.662 121.978 121.300 0.027 0.000 2.639 71 W HA 0.543 5.202 4.660 -0.001 0.000 0.347 71 W C -0.162 176.380 176.519 0.037 0.000 1.067 71 W CA -0.525 56.840 57.345 0.034 0.000 1.218 71 W CB 1.492 30.975 29.460 0.038 0.000 1.393 71 W HN 0.114 nan 8.180 nan 0.000 0.557 72 R N 2.112 122.814 120.500 0.337 0.000 2.621 72 R HA 0.265 4.605 4.340 -0.001 0.000 0.292 72 R C -0.550 175.880 176.300 0.215 0.000 0.969 72 R CA -1.200 55.030 56.100 0.216 0.000 0.887 72 R CB 2.197 32.577 30.300 0.135 0.000 1.180 72 R HN 0.290 nan 8.270 nan 0.000 0.450 73 K N 4.683 125.182 120.400 0.164 0.000 2.267 73 K HA 0.183 4.503 4.320 -0.001 0.000 0.282 73 K C -1.168 175.507 176.600 0.125 0.000 1.078 73 K CA -0.339 56.024 56.287 0.127 0.000 0.903 73 K CB 0.536 33.084 32.500 0.080 0.000 1.111 73 K HN 0.274 nan 8.250 nan 0.000 0.475 74 L N 4.044 125.344 121.223 0.128 0.000 2.322 74 L HA 0.424 4.763 4.340 -0.001 0.000 0.279 74 L C -0.298 176.611 176.870 0.065 0.000 1.036 74 L CA -0.736 54.175 54.840 0.118 0.000 0.807 74 L CB 1.773 43.913 42.059 0.135 0.000 1.226 74 L HN 0.333 nan 8.230 nan 0.000 0.433 75 V N 0.732 120.653 119.914 0.012 0.000 2.815 75 V HA 0.397 4.517 4.120 -0.001 0.000 0.314 75 V C -0.930 175.070 176.094 -0.156 0.000 1.064 75 V CA -0.725 61.471 62.300 -0.173 0.000 0.952 75 V CB 2.206 33.763 31.823 -0.444 0.000 1.020 75 V HN 0.744 nan 8.190 nan 0.000 0.439 76 D N 1.257 121.531 120.400 -0.210 0.000 2.473 76 D HA 0.412 5.052 4.640 -0.001 0.000 0.226 76 D C -0.111 176.112 176.300 -0.129 0.000 1.089 76 D CA -0.192 53.768 54.000 -0.067 0.000 0.883 76 D CB 0.557 41.390 40.800 0.054 0.000 1.029 76 D HN 0.343 nan 8.370 nan 0.000 0.517 77 F N 2.083 122.102 119.950 0.115 0.000 2.693 77 F HA 0.283 4.810 4.527 -0.001 0.000 0.303 77 F C 2.087 177.967 175.800 0.134 0.000 1.097 77 F CA -0.312 57.775 58.000 0.145 0.000 1.330 77 F CB 0.016 39.130 39.000 0.190 0.000 1.067 77 F HN 0.309 nan 8.300 nan 0.000 0.565 78 R N 0.376 121.011 120.500 0.224 0.000 2.190 78 R HA -0.242 4.097 4.340 -0.001 0.000 0.255 78 R C 1.812 178.208 176.300 0.161 0.000 1.143 78 R CA 1.978 58.171 56.100 0.155 0.000 0.965 78 R CB -0.297 30.062 30.300 0.099 0.000 0.889 78 R HN 0.263 nan 8.270 nan 0.000 0.448 79 E N 0.092 120.393 120.200 0.168 0.000 2.190 79 E HA -0.071 4.278 4.350 -0.001 0.000 0.191 79 E C 1.941 178.652 176.600 0.185 0.000 0.978 79 E CA 0.385 56.875 56.400 0.150 0.000 0.839 79 E CB -0.074 29.701 29.700 0.125 0.000 0.787 79 E HN 0.129 nan 8.360 nan 0.000 0.473 80 L N 1.952 123.340 121.223 0.274 0.000 2.056 80 L HA -0.109 4.230 4.340 -0.001 0.000 0.207 80 L C 1.559 178.633 176.870 0.340 0.000 1.078 80 L CA 1.581 56.611 54.840 0.317 0.000 0.749 80 L CB -0.656 41.690 42.059 0.478 0.000 0.901 80 L HN -0.035 nan 8.230 nan 0.000 0.433 81 N N 0.303 119.210 118.700 0.344 0.000 2.069 81 N HA -0.212 4.528 4.740 -0.001 0.000 0.191 81 N C 1.771 177.365 175.510 0.140 0.000 1.031 81 N CA 1.606 54.791 53.050 0.225 0.000 0.852 81 N CB -0.287 38.299 38.487 0.164 0.000 1.018 81 N HN 0.388 nan 8.380 nan 0.000 0.423 82 K N 0.357 120.831 120.400 0.125 0.000 2.211 82 K HA -0.049 4.270 4.320 -0.001 0.000 0.204 82 K C 1.200 177.845 176.600 0.074 0.000 1.047 82 K CA 1.038 57.374 56.287 0.081 0.000 0.935 82 K CB -0.000 32.544 32.500 0.074 0.000 0.728 82 K HN 0.265 nan 8.250 nan 0.000 0.452 83 R N 0.084 120.643 120.500 0.099 0.000 2.427 83 R HA 0.114 4.453 4.340 -0.001 0.000 0.262 83 R C -0.058 176.297 176.300 0.091 0.000 0.943 83 R CA 0.044 56.185 56.100 0.070 0.000 1.081 83 R CB 0.791 31.118 30.300 0.045 0.000 1.166 83 R HN -0.057 nan 8.270 nan 0.000 0.534 84 T N 1.739 116.380 114.554 0.146 0.000 2.929 84 T HA 0.135 4.485 4.350 -0.001 0.000 0.284 84 T C -0.042 174.679 174.700 0.036 0.000 1.014 84 T CA -0.798 61.417 62.100 0.193 0.000 1.051 84 T CB 1.707 70.798 68.868 0.372 0.000 1.028 84 T HN 0.203 nan 8.240 nan 0.000 0.485 85 Q N 1.738 121.498 119.800 -0.067 0.000 2.474 85 Q HA 0.160 4.500 4.340 -0.001 0.000 0.256 85 Q C -0.795 174.974 176.000 -0.385 0.000 1.048 85 Q CA -0.317 55.337 55.803 -0.248 0.000 0.922 85 Q CB 0.416 28.931 28.738 -0.372 0.000 1.288 85 Q HN 0.455 nan 8.270 nan 0.000 0.484 86 D N 1.202 121.419 120.400 -0.305 0.000 2.345 86 D HA 0.212 4.852 4.640 -0.001 0.000 0.247 86 D C -0.733 175.318 176.300 -0.414 0.000 1.108 86 D CA 0.275 54.141 54.000 -0.224 0.000 0.894 86 D CB 0.493 41.234 40.800 -0.097 0.000 1.203 86 D HN 0.347 nan 8.370 nan 0.000 0.430 87 F N 0.114 120.017 119.950 -0.080 0.000 2.557 87 F HA 0.248 4.774 4.527 -0.001 0.000 0.336 87 F C 0.536 176.376 175.800 0.066 0.000 1.058 87 F CA -1.177 56.803 58.000 -0.033 0.000 0.988 87 F CB 0.998 39.923 39.000 -0.124 0.000 1.275 87 F HN 0.301 nan 8.300 nan 0.000 0.488 88 W N 3.300 124.674 121.300 0.123 0.000 2.417 88 W HA 0.008 4.667 4.660 -0.001 0.000 0.332 88 W C -0.073 176.481 176.519 0.059 0.000 1.413 88 W CA -0.498 56.884 57.345 0.062 0.000 1.299 88 W CB 0.528 30.017 29.460 0.049 0.000 1.304 88 W HN 0.422 nan 8.180 nan 0.000 0.565 89 E N 4.423 124.142 120.200 -0.802 0.000 2.694 89 E HA -0.106 4.244 4.350 -0.001 0.000 0.250 89 E C 1.211 177.386 176.600 -0.709 0.000 0.963 89 E CA 0.240 56.210 56.400 -0.717 0.000 0.949 89 E CB 0.785 30.043 29.700 -0.736 0.000 0.911 89 E HN 0.420 nan 8.360 nan 0.000 0.500 90 V N 4.110 123.829 119.914 -0.325 0.000 2.277 90 V HA -0.300 3.820 4.120 -0.001 0.000 0.239 90 V C 1.126 177.140 176.094 -0.134 0.000 1.006 90 V CA 2.427 64.626 62.300 -0.168 0.000 1.018 90 V CB -0.606 31.167 31.823 -0.083 0.000 0.665 90 V HN 0.795 nan 8.190 nan 0.000 0.488 91 Q N 1.905 121.675 119.800 -0.050 0.000 2.327 91 Q HA 0.614 4.954 4.340 -0.001 0.000 0.270 91 Q C -1.224 174.773 176.000 -0.006 0.000 1.022 91 Q CA -0.740 55.071 55.803 0.014 0.000 0.773 91 Q CB 1.664 30.484 28.738 0.137 0.000 1.251 91 Q HN 0.497 nan 8.270 nan 0.000 0.457 92 L N 0.082 121.269 121.223 -0.059 0.000 2.325 92 L HA 1.004 5.344 4.340 -0.001 0.000 0.281 92 L C -0.117 176.760 176.870 0.012 0.000 1.004 92 L CA 0.122 54.938 54.840 -0.040 0.000 0.823 92 L CB 0.233 42.221 42.059 -0.118 0.000 1.236 92 L HN 0.926 nan 8.230 nan 0.000 0.415 93 G N 3.974 112.795 108.800 0.036 0.000 3.069 93 G HA2 0.090 4.050 3.960 -0.001 0.000 0.686 93 G HA3 0.090 4.050 3.960 -0.001 0.000 0.686 93 G C -1.367 173.581 174.900 0.081 0.000 1.161 93 G CA -0.671 44.459 45.100 0.049 0.000 0.804 93 G HN 0.789 nan 8.290 nan 0.000 0.608 94 I N 3.401 124.008 120.570 0.062 0.000 2.582 94 I HA 0.414 4.584 4.170 -0.001 0.000 0.292 94 I C -1.784 174.357 176.117 0.040 0.000 1.066 94 I CA -2.138 59.213 61.300 0.084 0.000 1.053 94 I CB 2.607 40.629 38.000 0.036 0.000 1.241 94 I HN 0.449 nan 8.210 nan 0.000 0.421 95 P HA 0.091 nan 4.420 nan 0.000 0.271 95 P C -0.895 176.356 177.300 -0.082 0.000 1.216 95 P CA 0.138 63.204 63.100 -0.057 0.000 0.771 95 P CB 0.642 32.211 31.700 -0.219 0.000 0.864 96 H N 3.991 122.899 119.070 -0.271 0.000 2.502 96 H HA 0.155 4.710 4.556 -0.001 0.000 0.327 96 H C -1.619 173.396 175.328 -0.521 0.000 1.099 96 H CA -1.847 53.940 56.048 -0.436 0.000 1.323 96 H CB 1.436 30.930 29.762 -0.446 0.000 1.450 96 H HN 0.171 nan 8.280 nan 0.000 0.502 97 P HA -0.185 nan 4.420 nan 0.000 0.216 97 P C 1.069 178.136 177.300 -0.388 0.000 1.157 97 P CA 2.268 64.935 63.100 -0.722 0.000 0.880 97 P CB -0.017 30.783 31.700 -1.501 0.000 0.791 98 A N -0.723 121.889 122.820 -0.347 0.000 2.186 98 A HA -0.055 4.265 4.320 -0.001 0.000 0.219 98 A C 2.241 180.040 177.584 0.358 0.000 1.159 98 A CA 1.818 53.955 52.037 0.166 0.000 0.680 98 A CB -1.577 17.581 19.000 0.264 0.000 0.787 98 A HN 0.342 nan 8.150 nan 0.000 0.467 99 G N -1.116 107.705 108.800 0.035 0.000 2.838 99 G HA2 0.349 4.308 3.960 -0.001 0.000 0.210 99 G HA3 0.349 4.308 3.960 -0.001 0.000 0.210 99 G C 0.509 175.500 174.900 0.151 0.000 1.153 99 G CA -0.328 44.755 45.100 -0.028 0.000 0.778 99 G HN 0.391 nan 8.290 nan 0.000 0.539 100 L N 0.897 122.185 121.223 0.109 0.000 2.397 100 L HA 0.301 4.641 4.340 -0.001 0.000 0.271 100 L C 0.190 177.077 176.870 0.029 0.000 1.148 100 L CA -0.375 54.437 54.840 -0.047 0.000 0.825 100 L CB 0.986 42.848 42.059 -0.330 0.000 1.117 100 L HN -0.028 nan 8.230 nan 0.000 0.456 101 K N 2.381 122.766 120.400 -0.024 0.000 2.218 101 K HA 0.167 4.487 4.320 -0.001 0.000 0.276 101 K C -0.099 176.405 176.600 -0.161 0.000 1.022 101 K CA -0.532 55.756 56.287 0.002 0.000 0.946 101 K CB 0.955 33.463 32.500 0.013 0.000 1.000 101 K HN 0.367 nan 8.250 nan 0.000 0.468 102 K N 2.461 122.860 120.400 -0.002 0.000 2.485 102 K HA -0.054 4.266 4.320 -0.001 0.000 0.277 102 K C -0.589 176.001 176.600 -0.017 0.000 0.990 102 K CA 0.443 56.755 56.287 0.043 0.000 0.994 102 K CB 0.372 32.989 32.500 0.195 0.000 0.906 102 K HN 0.525 nan 8.250 nan 0.000 0.488 103 N N 3.210 121.906 118.700 -0.008 0.000 2.264 103 N HA 0.085 4.825 4.740 -0.001 0.000 0.288 103 N C -0.226 175.298 175.510 0.024 0.000 1.094 103 N CA -0.555 52.496 53.050 0.002 0.000 0.817 103 N CB 1.975 40.450 38.487 -0.019 0.000 1.604 103 N HN 0.533 nan 8.380 nan 0.000 0.473 104 K N 0.196 120.603 120.400 0.012 0.000 2.031 104 K HA 0.034 4.354 4.320 -0.001 0.000 0.205 104 K C 0.230 176.802 176.600 -0.048 0.000 1.049 104 K CA 1.032 57.317 56.287 -0.004 0.000 0.939 104 K CB 0.165 32.663 32.500 -0.003 0.000 0.717 104 K HN 0.627 nan 8.250 nan 0.000 0.438 105 S N -0.457 115.170 115.700 -0.122 0.000 2.540 105 S HA 0.568 5.037 4.470 -0.001 0.000 0.275 105 S C -0.898 173.555 174.600 -0.245 0.000 1.123 105 S CA -1.159 56.878 58.200 -0.272 0.000 0.907 105 S CB 2.439 65.302 63.200 -0.562 0.000 1.081 105 S HN -0.126 nan 8.310 nan 0.000 0.476 106 V N 1.673 121.561 119.914 -0.042 0.000 2.656 106 V HA 0.768 4.887 4.120 -0.001 0.000 0.307 106 V C -0.418 175.872 176.094 0.327 0.000 1.051 106 V CA -0.415 62.004 62.300 0.198 0.000 0.893 106 V CB 2.150 34.165 31.823 0.319 0.000 0.999 106 V HN 1.059 nan 8.190 nan 0.000 0.426 107 T N 2.922 117.676 114.554 0.333 0.000 2.886 107 T HA 0.585 4.934 4.350 -0.001 0.000 0.292 107 T C -0.662 174.085 174.700 0.078 0.000 1.012 107 T CA -0.425 61.836 62.100 0.268 0.000 0.982 107 T CB 1.961 70.987 68.868 0.264 0.000 1.018 107 T HN 0.367 nan 8.240 nan 0.000 0.451 108 V N 4.308 124.218 119.914 -0.006 0.000 2.481 108 V HA 0.569 4.689 4.120 -0.001 0.000 0.286 108 V C -0.393 175.620 176.094 -0.134 0.000 1.042 108 V CA -0.668 61.531 62.300 -0.168 0.000 0.928 108 V CB 1.195 32.878 31.823 -0.234 0.000 0.986 108 V HN 0.668 nan 8.190 nan 0.000 0.462 109 L N 4.025 125.117 121.223 -0.217 0.000 2.410 109 L HA 0.571 4.910 4.340 -0.001 0.000 0.270 109 L C -0.599 176.147 176.870 -0.206 0.000 0.983 109 L CA -0.373 54.365 54.840 -0.170 0.000 0.822 109 L CB 2.183 44.155 42.059 -0.145 0.000 1.285 109 L HN 0.600 nan 8.230 nan 0.000 0.409 110 D N 2.422 122.734 120.400 -0.146 0.000 2.256 110 D HA 0.314 4.954 4.640 -0.001 0.000 0.240 110 D C -0.613 175.631 176.300 -0.093 0.000 1.062 110 D CA -0.440 53.477 54.000 -0.137 0.000 0.832 110 D CB 2.498 43.235 40.800 -0.105 0.000 1.135 110 D HN 0.104 nan 8.370 nan 0.000 0.484 111 V N 2.713 122.577 119.914 -0.083 0.000 2.655 111 V HA 0.339 4.459 4.120 -0.001 0.000 0.300 111 V C 1.228 177.289 176.094 -0.054 0.000 1.044 111 V CA -0.326 61.956 62.300 -0.032 0.000 1.095 111 V CB 1.246 33.103 31.823 0.057 0.000 0.952 111 V HN 0.614 nan 8.190 nan 0.000 0.485 112 G N 1.648 110.434 108.800 -0.024 0.000 2.343 112 G HA2 0.512 4.471 3.960 -0.001 0.000 0.319 112 G HA3 0.512 4.471 3.960 -0.001 0.000 0.319 112 G C -0.155 174.727 174.900 -0.030 0.000 1.126 112 G CA -0.398 44.682 45.100 -0.035 0.000 0.889 112 G HN 0.875 nan 8.290 nan 0.000 0.457 113 D N 0.612 120.958 120.400 -0.089 0.000 2.860 113 D HA -0.290 4.350 4.640 -0.001 0.000 0.229 113 D C 1.938 178.185 176.300 -0.088 0.000 1.169 113 D CA 1.317 55.248 54.000 -0.116 0.000 0.737 113 D CB -0.929 39.885 40.800 0.023 0.000 1.080 113 D HN 0.765 nan 8.370 nan 0.000 0.424 114 A N -0.470 122.263 122.820 -0.146 0.000 1.941 114 A HA -0.386 3.934 4.320 -0.001 0.000 0.233 114 A C 1.900 179.496 177.584 0.021 0.000 1.649 114 A CA 2.260 54.227 52.037 -0.117 0.000 0.726 114 A CB -0.875 17.694 19.000 -0.718 0.000 0.843 114 A HN 0.479 nan 8.150 nan 0.000 0.511 115 Y N -1.688 118.433 120.300 -0.299 0.000 2.220 115 Y HA 0.010 4.560 4.550 -0.000 0.000 0.291 115 Y C 2.238 178.282 175.900 0.240 0.000 1.129 115 Y CA 0.346 58.376 58.100 -0.116 0.000 1.161 115 Y CB -0.980 37.329 38.460 -0.251 0.000 0.997 115 Y HN 0.451 nan 8.280 nan 0.000 0.522 116 F N -1.226 118.854 119.950 0.216 0.000 2.802 116 F HA -0.066 4.461 4.527 -0.000 0.000 0.300 116 F C 1.922 177.820 175.800 0.163 0.000 1.168 116 F CA 0.124 58.235 58.000 0.186 0.000 1.433 116 F CB 0.026 39.122 39.000 0.160 0.000 1.115 116 F HN -0.078 nan 8.300 nan 0.000 0.582 117 S N -0.363 115.545 115.700 0.347 0.000 2.524 117 S HA 0.082 4.552 4.470 -0.001 0.000 0.216 117 S C 0.508 175.259 174.600 0.251 0.000 0.987 117 S CA 0.118 58.475 58.200 0.262 0.000 0.909 117 S CB 0.270 63.609 63.200 0.232 0.000 0.781 117 S HN -0.105 nan 8.310 nan 0.000 0.521 118 V N 4.528 124.619 119.914 0.293 0.000 2.459 118 V HA 0.369 4.489 4.120 -0.001 0.000 0.295 118 V C -2.358 173.851 176.094 0.193 0.000 1.029 118 V CA -2.362 60.078 62.300 0.233 0.000 0.874 118 V CB 1.596 33.580 31.823 0.268 0.000 0.985 118 V HN 0.074 nan 8.190 nan 0.000 0.438 119 P HA 0.142 nan 4.420 nan 0.000 0.269 119 P C -0.615 176.752 177.300 0.111 0.000 1.215 119 P CA -0.077 63.097 63.100 0.124 0.000 0.780 119 P CB 1.290 33.055 31.700 0.108 0.000 0.898 120 L N 1.718 123.000 121.223 0.098 0.000 2.344 120 L HA 0.315 4.655 4.340 -0.001 0.000 0.272 120 L C 0.463 177.390 176.870 0.095 0.000 1.035 120 L CA -0.777 54.108 54.840 0.074 0.000 0.807 120 L CB 1.398 43.485 42.059 0.047 0.000 1.237 120 L HN 0.343 nan 8.230 nan 0.000 0.442 121 D N 1.774 122.238 120.400 0.107 0.000 2.401 121 D HA -0.035 4.605 4.640 -0.001 0.000 0.254 121 D C 0.889 177.290 176.300 0.168 0.000 1.192 121 D CA 0.208 54.290 54.000 0.137 0.000 0.885 121 D CB 1.219 42.109 40.800 0.151 0.000 1.147 121 D HN 0.459 nan 8.370 nan 0.000 0.478 122 E N 2.294 122.571 120.200 0.128 0.000 2.068 122 E HA -0.236 4.113 4.350 -0.001 0.000 0.207 122 E C 0.990 177.667 176.600 0.127 0.000 1.032 122 E CA 1.874 58.338 56.400 0.107 0.000 0.839 122 E CB -0.002 29.746 29.700 0.079 0.000 0.758 122 E HN 0.593 nan 8.360 nan 0.000 0.457 123 D N -1.218 119.277 120.400 0.159 0.000 2.354 123 D HA -0.155 4.485 4.640 -0.001 0.000 0.216 123 D C 1.340 177.792 176.300 0.252 0.000 0.970 123 D CA 0.613 54.715 54.000 0.170 0.000 0.905 123 D CB -0.170 40.745 40.800 0.193 0.000 0.903 123 D HN 0.226 nan 8.370 nan 0.000 0.508 124 F N 0.370 120.406 119.950 0.142 0.000 2.717 124 F HA 0.210 4.736 4.527 -0.000 0.000 0.297 124 F C 2.031 177.903 175.800 0.121 0.000 1.113 124 F CA -0.228 57.919 58.000 0.244 0.000 1.319 124 F CB 0.357 39.450 39.000 0.154 0.000 1.097 124 F HN -0.299 nan 8.300 nan 0.000 0.595 125 R N 1.274 121.851 120.500 0.128 0.000 2.096 125 R HA -0.236 4.104 4.340 -0.001 0.000 0.240 125 R C 2.315 178.582 176.300 -0.056 0.000 1.139 125 R CA 2.238 58.373 56.100 0.059 0.000 0.952 125 R CB -0.536 29.802 30.300 0.065 0.000 0.854 125 R HN 0.335 nan 8.270 nan 0.000 0.436 126 K N 0.083 120.374 120.400 -0.182 0.000 2.127 126 K HA -0.255 4.064 4.320 -0.001 0.000 0.212 126 K C 1.291 177.748 176.600 -0.238 0.000 1.050 126 K CA 2.160 58.297 56.287 -0.250 0.000 0.929 126 K CB -0.606 31.653 32.500 -0.401 0.000 0.715 126 K HN 0.306 nan 8.250 nan 0.000 0.457 127 Y N 1.999 122.132 120.300 -0.279 0.000 2.578 127 Y HA 0.005 4.555 4.550 -0.001 0.000 0.297 127 Y C 1.785 177.593 175.900 -0.153 0.000 1.176 127 Y CA 0.978 58.821 58.100 -0.428 0.000 1.315 127 Y CB -0.019 37.908 38.460 -0.888 0.000 1.031 127 Y HN 0.335 nan 8.280 nan 0.000 0.524 128 T N -2.658 111.953 114.554 0.095 0.000 3.214 128 T HA 0.575 4.924 4.350 -0.001 0.000 0.264 128 T C 0.497 175.456 174.700 0.433 0.000 1.012 128 T CA -0.284 62.002 62.100 0.310 0.000 0.901 128 T CB -0.398 68.654 68.868 0.307 0.000 1.070 128 T HN 0.166 nan 8.240 nan 0.000 0.561 129 A N 2.011 125.000 122.820 0.282 0.000 2.302 129 A HA 0.637 4.957 4.320 -0.001 0.000 0.295 129 A C -0.047 177.690 177.584 0.255 0.000 1.235 129 A CA -0.886 51.275 52.037 0.207 0.000 0.876 129 A CB -0.363 18.685 19.000 0.080 0.000 1.133 129 A HN 0.639 nan 8.150 nan 0.000 0.533 130 F N 0.691 120.702 119.950 0.101 0.000 2.535 130 F HA 0.914 5.440 4.527 -0.001 0.000 0.367 130 F C 0.033 175.864 175.800 0.052 0.000 1.096 130 F CA -1.261 56.776 58.000 0.061 0.000 1.088 130 F CB 0.845 39.871 39.000 0.044 0.000 1.387 130 F HN 0.249 nan 8.300 nan 0.000 0.494 131 T N 1.618 116.259 114.554 0.145 0.000 2.928 131 T HA 0.492 4.841 4.350 -0.001 0.000 0.296 131 T C -0.637 174.111 174.700 0.080 0.000 1.000 131 T CA -0.357 61.749 62.100 0.009 0.000 0.989 131 T CB 1.135 69.999 68.868 -0.006 0.000 1.005 131 T HN 0.533 nan 8.240 nan 0.000 0.442 132 I N 6.025 126.624 120.570 0.049 0.000 2.322 132 I HA 0.258 4.428 4.170 -0.001 0.000 0.292 132 I C -1.827 174.280 176.117 -0.017 0.000 1.060 132 I CA -2.174 59.154 61.300 0.047 0.000 1.309 132 I CB 0.854 38.901 38.000 0.079 0.000 1.415 132 I HN 0.301 nan 8.210 nan 0.000 0.492 133 P HA 0.072 nan 4.420 nan 0.000 0.272 133 P C -0.291 176.968 177.300 -0.068 0.000 1.223 133 P CA -0.289 62.771 63.100 -0.066 0.000 0.784 133 P CB 0.922 32.566 31.700 -0.094 0.000 0.923 134 S N 2.162 117.820 115.700 -0.070 0.000 2.632 134 S HA 0.336 4.806 4.470 -0.001 0.000 0.267 134 S C 0.664 175.220 174.600 -0.073 0.000 1.276 134 S CA -0.867 57.294 58.200 -0.066 0.000 0.998 134 S CB 0.025 63.188 63.200 -0.061 0.000 0.953 134 S HN 0.320 nan 8.310 nan 0.000 0.547 135 I N 2.474 123.005 120.570 -0.065 0.000 2.668 135 I HA -0.014 4.155 4.170 -0.001 0.000 0.285 135 I C 0.664 176.739 176.117 -0.069 0.000 1.168 135 I CA 0.167 61.428 61.300 -0.066 0.000 1.424 135 I CB -0.613 37.355 38.000 -0.053 0.000 1.377 135 I HN 0.725 nan 8.210 nan 0.000 0.560 136 N N 4.562 123.213 118.700 -0.081 0.000 2.678 136 N HA -0.299 4.441 4.740 -0.001 0.000 0.250 136 N C 0.514 175.965 175.510 -0.098 0.000 1.136 136 N CA 1.507 54.503 53.050 -0.090 0.000 0.757 136 N CB -1.263 37.182 38.487 -0.069 0.000 1.135 136 N HN 0.925 nan 8.380 nan 0.000 0.565 137 N N -1.322 117.320 118.700 -0.097 0.000 2.782 137 N HA -0.260 4.479 4.740 -0.001 0.000 0.251 137 N C 0.592 176.056 175.510 -0.077 0.000 1.101 137 N CA 1.050 54.042 53.050 -0.097 0.000 0.764 137 N CB -0.481 37.930 38.487 -0.126 0.000 1.122 137 N HN 0.402 nan 8.380 nan 0.000 0.561 138 E N 0.020 120.180 120.200 -0.067 0.000 2.274 138 E HA 0.008 4.358 4.350 -0.001 0.000 0.194 138 E C 0.737 177.306 176.600 -0.052 0.000 0.996 138 E CA 1.516 57.883 56.400 -0.056 0.000 0.840 138 E CB 0.330 30.001 29.700 -0.049 0.000 0.772 138 E HN 0.573 nan 8.360 nan 0.000 0.491 139 T N -3.315 111.206 114.554 -0.054 0.000 2.831 139 T HA 0.582 4.931 4.350 -0.001 0.000 0.287 139 T C -2.726 171.939 174.700 -0.058 0.000 1.070 139 T CA -2.280 59.788 62.100 -0.053 0.000 1.010 139 T CB 1.164 70.001 68.868 -0.051 0.000 1.264 139 T HN -0.321 nan 8.240 nan 0.000 0.532 140 P HA 0.325 nan 4.420 nan 0.000 0.264 140 P C 0.406 177.662 177.300 -0.073 0.000 1.193 140 P CA 0.117 63.177 63.100 -0.066 0.000 0.763 140 P CB 0.039 31.697 31.700 -0.071 0.000 0.810 141 G N 2.894 111.649 108.800 -0.074 0.000 2.599 141 G HA2 0.383 4.343 3.960 -0.001 0.000 0.264 141 G HA3 0.383 4.343 3.960 -0.001 0.000 0.264 141 G C -0.135 174.702 174.900 -0.104 0.000 1.200 141 G CA -0.762 44.292 45.100 -0.075 0.000 0.896 141 G HN 0.430 nan 8.290 nan 0.000 0.536 142 I N -0.130 120.377 120.570 -0.105 0.000 2.638 142 I HA 0.266 4.436 4.170 -0.001 0.000 0.286 142 I C 0.539 176.509 176.117 -0.246 0.000 1.088 142 I CA 0.090 61.279 61.300 -0.185 0.000 1.397 142 I CB 0.829 38.749 38.000 -0.134 0.000 1.414 142 I HN 0.265 nan 8.210 nan 0.000 0.566 143 R N 5.119 125.372 120.500 -0.412 0.000 2.513 143 R HA 0.548 4.887 4.340 -0.001 0.000 0.301 143 R C -1.574 174.339 176.300 -0.645 0.000 0.968 143 R CA -0.660 55.185 56.100 -0.425 0.000 0.872 143 R CB 1.789 31.922 30.300 -0.279 0.000 1.177 143 R HN 0.437 nan 8.270 nan 0.000 0.444 144 Y N 0.789 120.676 120.300 -0.688 0.000 2.587 144 Y HA 0.345 4.894 4.550 -0.001 0.000 0.337 144 Y C 0.207 175.830 175.900 -0.462 0.000 1.065 144 Y CA -0.881 56.862 58.100 -0.595 0.000 1.126 144 Y CB 2.040 40.083 38.460 -0.695 0.000 1.279 144 Y HN 0.447 nan 8.280 nan 0.000 0.489 145 Q N -0.012 119.762 119.800 -0.044 0.000 2.423 145 Q HA 0.479 4.819 4.340 -0.001 0.000 0.278 145 Q C -1.997 174.055 176.000 0.087 0.000 1.097 145 Q CA -1.080 54.770 55.803 0.080 0.000 0.809 145 Q CB 1.846 30.612 28.738 0.046 0.000 1.391 145 Q HN 0.671 nan 8.270 nan 0.000 0.428 146 Y N 1.608 122.008 120.300 0.167 0.000 2.411 146 Y HA 0.102 4.651 4.550 -0.001 0.000 0.333 146 Y C 0.875 176.797 175.900 0.036 0.000 1.186 146 Y CA 0.484 58.638 58.100 0.090 0.000 1.381 146 Y CB 0.842 39.345 38.460 0.072 0.000 1.273 146 Y HN 0.748 nan 8.280 nan 0.000 0.546 147 N N 0.622 119.411 118.700 0.148 0.000 2.463 147 N HA 0.039 4.779 4.740 -0.001 0.000 0.183 147 N C -0.056 175.529 175.510 0.126 0.000 1.064 147 N CA 0.540 53.654 53.050 0.106 0.000 0.879 147 N CB 0.270 38.791 38.487 0.056 0.000 1.148 147 N HN 0.393 nan 8.380 nan 0.000 0.451 148 V N -0.936 119.076 119.914 0.162 0.000 3.406 148 V HA 0.508 4.627 4.120 -0.001 0.000 0.305 148 V C 0.388 176.589 176.094 0.178 0.000 1.136 148 V CA -1.108 61.303 62.300 0.185 0.000 1.011 148 V CB 0.605 32.564 31.823 0.226 0.000 1.221 148 V HN -0.100 nan 8.190 nan 0.000 0.454 149 L N 2.167 123.499 121.223 0.183 0.000 2.433 149 L HA 0.369 4.708 4.340 -0.001 0.000 0.275 149 L C -2.259 174.653 176.870 0.070 0.000 1.128 149 L CA -1.294 53.579 54.840 0.055 0.000 0.875 149 L CB 0.101 42.166 42.059 0.009 0.000 1.171 149 L HN 0.477 nan 8.230 nan 0.000 0.463 150 P HA 0.085 nan 4.420 nan 0.000 0.271 150 P C -0.945 176.299 177.300 -0.094 0.000 1.216 150 P CA -0.414 62.468 63.100 -0.364 0.000 0.776 150 P CB 0.509 31.584 31.700 -1.042 0.000 0.881 151 Q N 1.152 121.089 119.800 0.228 0.000 2.332 151 Q HA 0.393 4.732 4.340 -0.001 0.000 0.263 151 Q C 1.357 177.463 176.000 0.176 0.000 0.979 151 Q CA 0.967 56.910 55.803 0.234 0.000 0.885 151 Q CB -0.027 28.859 28.738 0.247 0.000 1.218 151 Q HN 0.821 nan 8.270 nan 0.000 0.405 152 G N 1.234 110.100 108.800 0.110 0.000 2.195 152 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.246 152 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.246 152 G C -0.415 174.520 174.900 0.059 0.000 0.984 152 G CA -0.077 45.119 45.100 0.160 0.000 0.633 152 G HN 0.647 nan 8.290 nan 0.000 0.525 153 W N 1.399 122.392 121.300 -0.512 0.000 2.129 153 W HA 0.637 5.296 4.660 -0.001 0.000 0.349 153 W C 1.425 177.721 176.519 -0.372 0.000 1.279 153 W CA -0.182 56.760 57.345 -0.673 0.000 1.306 153 W CB 0.889 29.785 29.460 -0.939 0.000 1.140 153 W HN 0.043 nan 8.180 nan 0.000 0.613 154 K N 1.268 120.980 120.400 -1.147 0.000 2.103 154 K HA 0.038 4.358 4.320 -0.001 0.000 0.204 154 K C 1.737 177.641 176.600 -1.161 0.000 1.052 154 K CA 1.850 57.608 56.287 -0.882 0.000 0.945 154 K CB -0.552 31.600 32.500 -0.580 0.000 0.722 154 K HN 0.619 nan 8.250 nan 0.000 0.443 155 G N -0.911 106.567 108.800 -2.204 0.000 3.088 155 G HA2 0.001 3.960 3.960 -0.001 0.000 0.217 155 G HA3 0.001 3.960 3.960 -0.001 0.000 0.217 155 G C 0.956 175.076 174.900 -1.300 0.000 1.159 155 G CA -0.100 43.624 45.100 -2.294 0.000 0.760 155 G HN 0.200 nan 8.290 nan 0.000 0.550 156 S N 1.783 116.961 115.700 -0.870 0.000 2.345 156 S HA -0.053 4.417 4.470 -0.001 0.000 0.220 156 S C 0.227 174.555 174.600 -0.452 0.000 1.031 156 S CA 1.357 59.198 58.200 -0.599 0.000 0.996 156 S CB -0.512 62.144 63.200 -0.907 0.000 0.882 156 S HN 0.339 nan 8.310 nan 0.000 0.445 157 P HA -0.041 nan 4.420 nan 0.000 0.216 157 P C 1.245 178.507 177.300 -0.064 0.000 1.150 157 P CA 1.427 64.491 63.100 -0.060 0.000 0.837 157 P CB -0.124 31.533 31.700 -0.072 0.000 0.786 158 A N 0.762 123.438 122.820 -0.240 0.000 1.832 158 A HA -0.140 4.180 4.320 -0.001 0.000 0.214 158 A C 2.315 179.832 177.584 -0.111 0.000 1.200 158 A CA 1.597 53.523 52.037 -0.185 0.000 0.610 158 A CB -1.461 17.351 19.000 -0.314 0.000 0.842 158 A HN 0.009 nan 8.150 nan 0.000 0.444 159 I N -1.223 119.227 120.570 -0.201 0.000 2.208 159 I HA -0.236 3.933 4.170 -0.001 0.000 0.245 159 I C 2.445 178.562 176.117 0.000 0.000 1.097 159 I CA 1.716 62.968 61.300 -0.081 0.000 1.363 159 I CB -1.376 36.578 38.000 -0.077 0.000 1.051 159 I HN 0.452 nan 8.210 nan 0.000 0.413 160 F N 2.042 121.945 119.950 -0.078 0.000 2.102 160 F HA -0.250 4.276 4.527 -0.001 0.000 0.298 160 F C 2.695 178.484 175.800 -0.020 0.000 1.105 160 F CA 1.756 59.754 58.000 -0.004 0.000 1.239 160 F CB -0.308 38.752 39.000 0.099 0.000 0.991 160 F HN -0.030 nan 8.300 nan 0.000 0.474 161 Q N 0.033 119.842 119.800 0.015 0.000 2.170 161 Q HA -0.143 4.197 4.340 -0.001 0.000 0.203 161 Q C 2.543 178.458 176.000 -0.142 0.000 0.976 161 Q CA 1.712 57.469 55.803 -0.077 0.000 0.858 161 Q CB -0.669 28.091 28.738 0.037 0.000 0.907 161 Q HN 0.424 nan 8.270 nan 0.000 0.433 162 S N -1.190 114.458 115.700 -0.087 0.000 2.371 162 S HA -0.079 4.390 4.470 -0.001 0.000 0.224 162 S C 1.962 176.481 174.600 -0.135 0.000 1.029 162 S CA 1.270 59.431 58.200 -0.066 0.000 0.978 162 S CB -0.192 63.003 63.200 -0.009 0.000 0.833 162 S HN 0.421 nan 8.310 nan 0.000 0.466 163 S N 1.360 116.948 115.700 -0.187 0.000 2.368 163 S HA -0.107 4.362 4.470 -0.001 0.000 0.225 163 S C 1.841 176.263 174.600 -0.298 0.000 1.030 163 S CA 1.679 59.751 58.200 -0.213 0.000 0.999 163 S CB -0.420 62.663 63.200 -0.194 0.000 0.844 163 S HN 0.632 nan 8.310 nan 0.000 0.459 164 M N 1.662 121.003 119.600 -0.431 0.000 2.213 164 M HA -0.060 4.420 4.480 -0.001 0.000 0.263 164 M C 1.831 177.974 176.300 -0.260 0.000 1.062 164 M CA 1.526 56.578 55.300 -0.415 0.000 1.105 164 M CB -0.936 31.320 32.600 -0.572 0.000 1.385 164 M HN 0.104 nan 8.290 nan 0.000 0.417 165 T N 0.002 114.433 114.554 -0.205 0.000 2.812 165 T HA -0.081 4.268 4.350 -0.001 0.000 0.264 165 T C 1.778 176.395 174.700 -0.137 0.000 1.042 165 T CA 1.488 63.509 62.100 -0.131 0.000 1.140 165 T CB -0.113 68.709 68.868 -0.078 0.000 0.870 165 T HN 0.362 nan 8.240 nan 0.000 0.445 166 K N 0.427 120.729 120.400 -0.164 0.000 2.103 166 K HA -0.030 4.289 4.320 -0.001 0.000 0.207 166 K C 1.832 178.262 176.600 -0.283 0.000 1.048 166 K CA 1.104 57.279 56.287 -0.188 0.000 0.930 166 K CB -0.235 32.155 32.500 -0.184 0.000 0.716 166 K HN 0.183 nan 8.250 nan 0.000 0.444 167 I N 0.222 120.578 120.570 -0.357 0.000 2.546 167 I HA -0.161 4.009 4.170 -0.001 0.000 0.255 167 I C 1.630 177.643 176.117 -0.173 0.000 1.163 167 I CA 1.068 62.068 61.300 -0.501 0.000 1.457 167 I CB 0.037 37.734 38.000 -0.505 0.000 1.092 167 I HN 0.112 nan 8.210 nan 0.000 0.434 168 L N -0.734 120.425 121.223 -0.108 0.000 2.307 168 L HA -0.060 4.280 4.340 -0.001 0.000 0.211 168 L C 2.369 179.253 176.870 0.023 0.000 1.099 168 L CA 0.351 55.188 54.840 -0.004 0.000 0.816 168 L CB -0.354 41.678 42.059 -0.044 0.000 0.952 168 L HN 0.101 nan 8.230 nan 0.000 0.455 169 E N 0.902 121.084 120.200 -0.031 0.000 2.149 169 E HA -0.247 4.103 4.350 -0.001 0.000 0.215 169 E C -0.597 175.994 176.600 -0.014 0.000 1.055 169 E CA 2.270 58.655 56.400 -0.026 0.000 0.870 169 E CB -1.302 28.365 29.700 -0.054 0.000 0.764 169 E HN 0.273 nan 8.360 nan 0.000 0.463 170 P HA -0.119 nan 4.420 nan 0.000 0.214 170 P C 1.467 178.716 177.300 -0.084 0.000 1.163 170 P CA 1.293 64.362 63.100 -0.051 0.000 0.883 170 P CB -0.305 31.370 31.700 -0.042 0.000 0.788 171 F N 0.636 120.415 119.950 -0.284 0.000 2.095 171 F HA -0.192 4.333 4.527 -0.002 0.000 0.298 171 F C 2.356 178.081 175.800 -0.124 0.000 1.104 171 F CA 1.613 59.465 58.000 -0.247 0.000 1.232 171 F CB -0.370 38.490 39.000 -0.233 0.000 0.987 171 F HN -0.297 nan 8.300 nan 0.000 0.475 172 R N 0.246 120.833 120.500 0.145 0.000 2.091 172 R HA -0.204 4.135 4.340 -0.001 0.000 0.238 172 R C 2.421 178.698 176.300 -0.038 0.000 1.136 172 R CA 1.734 57.877 56.100 0.070 0.000 0.959 172 R CB -0.481 29.863 30.300 0.074 0.000 0.856 172 R HN 0.272 nan 8.270 nan 0.000 0.437 173 K N 1.200 121.570 120.400 -0.050 0.000 2.103 173 K HA -0.160 4.160 4.320 -0.001 0.000 0.204 173 K C 1.224 177.763 176.600 -0.101 0.000 1.052 173 K CA 1.446 57.696 56.287 -0.061 0.000 0.945 173 K CB 0.171 32.644 32.500 -0.046 0.000 0.722 173 K HN 0.255 nan 8.250 nan 0.000 0.443 174 Q N 0.316 120.019 119.800 -0.161 0.000 2.322 174 Q HA 0.098 4.438 4.340 -0.001 0.000 0.203 174 Q C -0.473 175.360 176.000 -0.280 0.000 0.923 174 Q CA 0.040 55.724 55.803 -0.199 0.000 0.949 174 Q CB 0.437 29.048 28.738 -0.212 0.000 1.039 174 Q HN 0.216 nan 8.270 nan 0.000 0.496 175 N N 0.150 118.685 118.700 -0.274 0.000 2.658 175 N HA 0.064 4.803 4.740 -0.001 0.000 0.238 175 N C -2.492 172.936 175.510 -0.137 0.000 1.495 175 N CA -0.474 52.407 53.050 -0.281 0.000 0.883 175 N CB 1.066 39.207 38.487 -0.578 0.000 1.463 175 N HN 0.054 nan 8.380 nan 0.000 0.531 176 P HA -0.009 nan 4.420 nan 0.000 0.239 176 P C 0.125 177.416 177.300 -0.016 0.000 1.184 176 P CA 0.918 63.997 63.100 -0.036 0.000 0.760 176 P CB 0.284 31.965 31.700 -0.032 0.000 0.884 177 D N -0.792 119.595 120.400 -0.021 0.000 2.388 177 D HA 0.036 4.675 4.640 -0.001 0.000 0.208 177 D C 0.984 177.299 176.300 0.024 0.000 1.035 177 D CA -0.272 53.728 54.000 -0.000 0.000 0.875 177 D CB -0.811 39.986 40.800 -0.005 0.000 0.984 177 D HN 0.195 nan 8.370 nan 0.000 0.508 178 I N 0.899 121.486 120.570 0.030 0.000 2.581 178 I HA 0.344 4.514 4.170 -0.001 0.000 0.288 178 I C -0.777 175.396 176.117 0.094 0.000 1.047 178 I CA -0.886 60.462 61.300 0.081 0.000 1.374 178 I CB 1.428 39.498 38.000 0.116 0.000 1.423 178 I HN -0.224 nan 8.210 nan 0.000 0.549 179 V N 7.823 127.797 119.914 0.100 0.000 2.495 179 V HA 0.494 4.613 4.120 -0.001 0.000 0.298 179 V C -0.139 176.014 176.094 0.098 0.000 1.031 179 V CA -0.635 61.716 62.300 0.084 0.000 0.871 179 V CB 1.453 33.303 31.823 0.045 0.000 0.988 179 V HN 0.543 nan 8.190 nan 0.000 0.432 180 I N 4.763 125.393 120.570 0.101 0.000 2.474 180 I HA 0.435 4.604 4.170 -0.001 0.000 0.294 180 I C -0.867 175.342 176.117 0.153 0.000 1.005 180 I CA -0.851 60.505 61.300 0.093 0.000 1.113 180 I CB 1.530 39.558 38.000 0.046 0.000 1.289 180 I HN 0.655 nan 8.210 nan 0.000 0.436 181 Y N 5.524 125.838 120.300 0.024 0.000 2.350 181 Y HA 0.401 4.951 4.550 -0.001 0.000 0.338 181 Y C -0.436 175.511 175.900 0.079 0.000 0.961 181 Y CA -0.858 57.263 58.100 0.035 0.000 1.100 181 Y CB 1.560 39.997 38.460 -0.039 0.000 1.179 181 Y HN 0.591 nan 8.280 nan 0.000 0.454 182 Q N 5.887 125.400 119.800 -0.479 0.000 2.390 182 Q HA 0.239 4.579 4.340 -0.001 0.000 0.249 182 Q C -1.781 173.774 176.000 -0.742 0.000 0.996 182 Q CA -0.697 54.826 55.803 -0.467 0.000 0.899 182 Q CB 1.282 29.873 28.738 -0.246 0.000 1.216 182 Q HN 0.675 nan 8.270 nan 0.000 0.465 183 Y N 5.395 125.326 120.300 -0.615 0.000 2.402 183 Y HA 0.316 4.866 4.550 -0.001 0.000 0.332 183 Y C 0.275 176.140 175.900 -0.058 0.000 0.960 183 Y CA -0.876 57.081 58.100 -0.239 0.000 1.228 183 Y CB 0.313 38.898 38.460 0.208 0.000 1.120 183 Y HN 0.946 nan 8.280 nan 0.000 0.491 184 M N 1.185 120.504 119.600 -0.469 0.000 7.319 184 M HA -0.392 4.088 4.480 -0.001 0.000 0.321 184 M C 0.582 176.810 176.300 -0.121 0.000 0.480 184 M CA 2.149 57.236 55.300 -0.354 0.000 1.311 184 M CB -0.846 31.401 32.600 -0.587 0.000 0.421 184 M HN 0.676 nan 8.290 nan 0.000 0.817 185 D N 0.525 120.775 120.400 -0.249 0.000 2.352 185 D HA 0.202 4.841 4.640 -0.001 0.000 0.236 185 D C -0.664 175.540 176.300 -0.160 0.000 1.148 185 D CA 0.237 54.133 54.000 -0.174 0.000 0.844 185 D CB -0.367 40.200 40.800 -0.388 0.000 0.933 185 D HN 0.292 nan 8.370 nan 0.000 0.507 186 D N 0.312 120.592 120.400 -0.200 0.000 2.185 186 D HA 0.424 5.063 4.640 -0.001 0.000 0.247 186 D C -0.202 175.864 176.300 -0.391 0.000 1.027 186 D CA -0.413 53.388 54.000 -0.331 0.000 0.861 186 D CB 1.834 42.406 40.800 -0.381 0.000 1.202 186 D HN 0.076 nan 8.370 nan 0.000 0.453 187 L N 2.262 123.197 121.223 -0.480 0.000 2.376 187 L HA 0.393 4.733 4.340 -0.001 0.000 0.275 187 L C -1.097 175.467 176.870 -0.510 0.000 0.987 187 L CA -0.935 53.673 54.840 -0.386 0.000 0.828 187 L CB 0.972 42.892 42.059 -0.232 0.000 1.249 187 L HN 0.287 nan 8.230 nan 0.000 0.409 188 Y N 2.113 122.340 120.300 -0.122 0.000 2.387 188 Y HA 0.570 5.119 4.550 -0.001 0.000 0.336 188 Y C 0.063 175.916 175.900 -0.078 0.000 1.067 188 Y CA -1.060 56.949 58.100 -0.152 0.000 1.114 188 Y CB 1.912 40.236 38.460 -0.227 0.000 1.208 188 Y HN 0.120 nan 8.280 nan 0.000 0.458 189 V N 2.312 122.290 119.914 0.107 0.000 2.376 189 V HA 0.690 4.809 4.120 -0.001 0.000 0.287 189 V C 0.167 176.375 176.094 0.190 0.000 1.015 189 V CA -0.832 61.528 62.300 0.100 0.000 0.834 189 V CB 1.264 33.103 31.823 0.026 0.000 1.001 189 V HN 0.968 nan 8.190 nan 0.000 0.428 190 G N 2.257 111.154 108.800 0.161 0.000 2.372 190 G HA2 0.628 4.588 3.960 -0.001 0.000 0.323 190 G HA3 0.628 4.588 3.960 -0.001 0.000 0.323 190 G C -0.666 174.354 174.900 0.201 0.000 1.152 190 G CA -0.424 44.776 45.100 0.167 0.000 0.906 190 G HN 0.742 nan 8.290 nan 0.000 0.460 191 S N 0.614 116.463 115.700 0.249 0.000 2.541 191 S HA 0.415 4.885 4.470 -0.001 0.000 0.271 191 S C -1.265 173.409 174.600 0.123 0.000 1.133 191 S CA -0.675 57.666 58.200 0.235 0.000 0.876 191 S CB 2.127 65.624 63.200 0.495 0.000 1.105 191 S HN 0.346 nan 8.310 nan 0.000 0.470 192 D N 2.943 123.397 120.400 0.090 0.000 2.894 192 D HA 0.356 4.996 4.640 -0.001 0.000 0.248 192 D C -0.431 175.903 176.300 0.057 0.000 1.291 192 D CA 0.086 54.117 54.000 0.052 0.000 0.840 192 D CB -0.090 40.730 40.800 0.033 0.000 1.044 192 D HN 0.282 nan 8.370 nan 0.000 0.484 193 L N 0.159 121.436 121.223 0.089 0.000 2.271 193 L HA 0.470 4.810 4.340 -0.001 0.000 0.265 193 L C 0.668 177.576 176.870 0.063 0.000 1.013 193 L CA -0.815 54.077 54.840 0.087 0.000 0.820 193 L CB 1.157 43.293 42.059 0.128 0.000 1.352 193 L HN -0.107 nan 8.230 nan 0.000 0.443 194 E N -0.274 119.963 120.200 0.062 0.000 2.345 194 E HA 0.284 4.633 4.350 -0.001 0.000 0.259 194 E C 1.228 177.867 176.600 0.065 0.000 1.117 194 E CA -0.322 56.103 56.400 0.042 0.000 0.913 194 E CB 0.848 30.570 29.700 0.036 0.000 1.057 194 E HN 0.338 nan 8.360 nan 0.000 0.432 195 I N 0.974 121.567 120.570 0.039 0.000 2.623 195 I HA -0.238 3.931 4.170 -0.001 0.000 0.261 195 I C 1.595 177.768 176.117 0.094 0.000 1.204 195 I CA 1.421 62.754 61.300 0.055 0.000 1.444 195 I CB -0.471 37.548 38.000 0.033 0.000 1.094 195 I HN 0.641 nan 8.210 nan 0.000 0.451 196 G N -0.328 108.521 108.800 0.082 0.000 2.524 196 G HA2 -0.092 3.867 3.960 -0.001 0.000 0.210 196 G HA3 -0.092 3.867 3.960 -0.001 0.000 0.210 196 G C 1.446 176.399 174.900 0.089 0.000 1.187 196 G CA -0.107 45.039 45.100 0.077 0.000 0.825 196 G HN 0.225 nan 8.290 nan 0.000 0.558 197 Q N -0.078 119.774 119.800 0.087 0.000 2.217 197 Q HA -0.223 4.116 4.340 -0.001 0.000 0.209 197 Q C 2.105 178.171 176.000 0.111 0.000 0.988 197 Q CA 1.841 57.694 55.803 0.083 0.000 0.878 197 Q CB -0.253 28.530 28.738 0.076 0.000 0.909 197 Q HN 0.741 nan 8.270 nan 0.000 0.424 198 H N 0.262 119.360 119.070 0.046 0.000 2.317 198 H HA 0.027 4.584 4.556 0.002 0.000 0.304 198 H C 2.002 177.367 175.328 0.062 0.000 1.067 198 H CA 1.158 57.241 56.048 0.058 0.000 1.352 198 H CB 0.240 30.036 29.762 0.056 0.000 1.398 198 H HN -0.083 nan 8.280 nan 0.000 0.510 199 R N -0.116 120.486 120.500 0.169 0.000 2.159 199 R HA -0.088 4.252 4.340 -0.001 0.000 0.237 199 R C 2.245 178.566 176.300 0.035 0.000 1.131 199 R CA 1.671 57.824 56.100 0.089 0.000 0.982 199 R CB -0.693 29.666 30.300 0.099 0.000 0.868 199 R HN 0.400 nan 8.270 nan 0.000 0.453 200 T N 0.296 114.875 114.554 0.042 0.000 2.643 200 T HA -0.098 4.252 4.350 -0.001 0.000 0.264 200 T C 1.521 176.240 174.700 0.033 0.000 1.045 200 T CA 1.310 63.432 62.100 0.036 0.000 1.155 200 T CB -0.054 68.838 68.868 0.040 0.000 0.863 200 T HN 0.247 nan 8.240 nan 0.000 0.420 201 K N 0.497 120.909 120.400 0.020 0.000 2.217 201 K HA 0.140 4.460 4.320 -0.001 0.000 0.202 201 K C 2.262 178.920 176.600 0.096 0.000 1.051 201 K CA 0.599 56.931 56.287 0.075 0.000 0.952 201 K CB -0.234 32.299 32.500 0.055 0.000 0.736 201 K HN 0.356 nan 8.250 nan 0.000 0.453 202 I N 1.043 121.578 120.570 -0.058 0.000 2.179 202 I HA -0.258 3.912 4.170 -0.001 0.000 0.242 202 I C 2.274 178.369 176.117 -0.036 0.000 1.088 202 I CA 1.299 62.544 61.300 -0.093 0.000 1.357 202 I CB -0.127 37.798 38.000 -0.124 0.000 1.051 202 I HN 0.118 nan 8.210 nan 0.000 0.409 203 E N 1.020 121.220 120.200 -0.000 0.000 2.274 203 E HA -0.224 4.126 4.350 -0.001 0.000 0.194 203 E C 1.718 178.341 176.600 0.039 0.000 0.996 203 E CA 1.074 57.481 56.400 0.012 0.000 0.840 203 E CB 0.003 29.715 29.700 0.021 0.000 0.772 203 E HN 0.660 nan 8.360 nan 0.000 0.491 204 E N -0.557 119.692 120.200 0.082 0.000 2.447 204 E HA 0.006 4.355 4.350 -0.001 0.000 0.195 204 E C 1.954 178.674 176.600 0.201 0.000 1.028 204 E CA 0.060 56.543 56.400 0.139 0.000 0.876 204 E CB -0.309 29.483 29.700 0.153 0.000 0.885 204 E HN 0.182 nan 8.360 nan 0.000 0.500 205 L N 1.177 122.455 121.223 0.092 0.000 1.976 205 L HA -0.121 4.218 4.340 -0.001 0.000 0.209 205 L C 2.359 179.168 176.870 -0.101 0.000 1.071 205 L CA 1.826 56.492 54.840 -0.289 0.000 0.746 205 L CB -0.312 41.359 42.059 -0.648 0.000 0.890 205 L HN 0.203 nan 8.230 nan 0.000 0.432 206 R N -0.716 119.739 120.500 -0.075 0.000 2.113 206 R HA -0.252 4.088 4.340 -0.001 0.000 0.244 206 R C 2.268 178.575 176.300 0.012 0.000 1.142 206 R CA 1.765 57.842 56.100 -0.038 0.000 0.953 206 R CB -0.438 29.842 30.300 -0.033 0.000 0.860 206 R HN 0.514 nan 8.270 nan 0.000 0.438 207 Q N -0.085 119.744 119.800 0.048 0.000 2.061 207 Q HA -0.221 4.119 4.340 -0.001 0.000 0.204 207 Q C 2.049 178.113 176.000 0.106 0.000 0.984 207 Q CA 1.852 57.696 55.803 0.068 0.000 0.846 207 Q CB -0.430 28.359 28.738 0.084 0.000 0.902 207 Q HN 0.489 nan 8.270 nan 0.000 0.421 208 H N -0.186 118.936 119.070 0.086 0.000 2.457 208 H HA -0.116 4.440 4.556 -0.001 0.000 0.297 208 H C 1.647 177.103 175.328 0.213 0.000 1.092 208 H CA 1.204 57.352 56.048 0.168 0.000 1.309 208 H CB 0.042 29.925 29.762 0.202 0.000 1.382 208 H HN 0.086 nan 8.280 nan 0.000 0.535 209 L N -0.525 120.708 121.223 0.017 0.000 2.131 209 L HA -0.022 4.317 4.340 -0.001 0.000 0.206 209 L C 2.049 178.924 176.870 0.010 0.000 1.087 209 L CA 0.933 55.761 54.840 -0.021 0.000 0.767 209 L CB -0.808 41.229 42.059 -0.037 0.000 0.917 209 L HN 0.356 nan 8.230 nan 0.000 0.441 210 L N -0.661 120.559 121.223 -0.005 0.000 2.313 210 L HA -0.041 4.298 4.340 -0.001 0.000 0.214 210 L C 2.522 179.353 176.870 -0.066 0.000 1.119 210 L CA 1.235 56.065 54.840 -0.015 0.000 0.809 210 L CB -0.701 41.351 42.059 -0.012 0.000 0.933 210 L HN 0.198 nan 8.230 nan 0.000 0.449 211 R N -1.941 118.489 120.500 -0.116 0.000 2.241 211 R HA -0.193 4.147 4.340 -0.001 0.000 0.224 211 R C 0.791 176.765 176.300 -0.543 0.000 1.101 211 R CA 1.342 57.264 56.100 -0.296 0.000 0.995 211 R CB -0.117 30.007 30.300 -0.293 0.000 0.870 211 R HN 0.450 nan 8.270 nan 0.000 0.463 212 W N -1.384 119.830 121.300 -0.144 0.000 2.846 212 W HA 0.335 4.995 4.660 -0.001 0.000 0.391 212 W C 0.837 177.313 176.519 -0.071 0.000 1.011 212 W CA 0.312 57.582 57.345 -0.125 0.000 1.832 212 W CB 1.267 30.607 29.460 -0.200 0.000 1.151 212 W HN 0.211 nan 8.180 nan 0.000 0.582 213 G N 0.608 109.452 108.800 0.073 0.000 2.176 213 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.232 213 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.232 213 G C -0.301 174.648 174.900 0.081 0.000 0.986 213 G CA -0.409 44.735 45.100 0.074 0.000 0.643 213 G HN 0.103 nan 8.290 nan 0.000 0.522 214 L N 2.307 123.573 121.223 0.071 0.000 2.319 214 L HA 0.593 4.933 4.340 -0.001 0.000 0.281 214 L C 0.785 177.672 176.870 0.029 0.000 1.005 214 L CA -0.422 54.454 54.840 0.059 0.000 0.828 214 L CB 1.841 43.929 42.059 0.049 0.000 1.227 214 L HN 0.312 nan 8.230 nan 0.000 0.415 215 T N -0.801 113.770 114.554 0.029 0.000 2.922 215 T HA 0.711 5.061 4.350 -0.001 0.000 0.285 215 T C 0.072 174.771 174.700 -0.003 0.000 1.005 215 T CA -0.597 61.511 62.100 0.014 0.000 1.061 215 T CB 1.741 70.623 68.868 0.024 0.000 1.007 215 T HN 0.628 nan 8.240 nan 0.000 0.502 216 T N -0.630 113.914 114.554 -0.016 0.000 2.903 216 T HA 0.644 4.993 4.350 -0.001 0.000 0.299 216 T C -3.202 171.469 174.700 -0.050 0.000 1.093 216 T CA -1.986 60.089 62.100 -0.041 0.000 1.002 216 T CB 0.920 69.751 68.868 -0.063 0.000 1.127 216 T HN 0.435 nan 8.240 nan 0.000 0.488 217 P HA 0.155 nan 4.420 nan 0.000 0.264 217 P C -0.023 177.118 177.300 -0.265 0.000 1.193 217 P CA -0.106 62.904 63.100 -0.150 0.000 0.763 217 P CB 0.304 31.920 31.700 -0.140 0.000 0.810 218 D N 2.241 122.400 120.400 -0.402 0.000 2.390 218 D HA -0.093 4.546 4.640 -0.001 0.000 0.236 218 D C 0.953 177.075 176.300 -0.296 0.000 1.189 218 D CA 0.135 53.972 54.000 -0.271 0.000 0.887 218 D CB 0.726 41.477 40.800 -0.081 0.000 1.198 218 D HN 0.289 nan 8.370 nan 0.000 0.444 219 K N 1.809 122.137 120.400 -0.119 0.000 2.585 219 K HA -0.133 4.186 4.320 -0.001 0.000 0.194 219 K C 1.521 178.097 176.600 -0.040 0.000 1.037 219 K CA 0.697 56.947 56.287 -0.062 0.000 0.964 219 K CB 0.130 32.625 32.500 -0.009 0.000 0.787 219 K HN 0.265 nan 8.250 nan 0.000 0.488 220 K N 0.046 120.406 120.400 -0.067 0.000 2.348 220 K HA -0.023 4.296 4.320 -0.001 0.000 0.194 220 K C -0.401 176.275 176.600 0.128 0.000 1.052 220 K CA 0.144 56.475 56.287 0.073 0.000 1.004 220 K CB 0.385 33.006 32.500 0.202 0.000 0.873 220 K HN 0.273 nan 8.250 nan 0.000 0.523 221 H N -0.805 118.288 119.070 0.038 0.000 3.029 221 H HA 0.144 4.699 4.556 -0.000 0.000 0.358 221 H C -1.123 174.231 175.328 0.043 0.000 1.129 221 H CA -0.730 55.342 56.048 0.040 0.000 1.230 221 H CB 1.117 30.897 29.762 0.030 0.000 1.827 221 H HN 0.164 nan 8.280 nan 0.000 0.530 222 Q N 1.097 120.957 119.800 0.100 0.000 1.932 222 Q HA 0.239 4.579 4.340 -0.001 0.000 0.191 222 Q C -0.917 175.159 176.000 0.127 0.000 0.777 222 Q CA -0.695 55.195 55.803 0.146 0.000 0.953 222 Q CB 0.888 29.729 28.738 0.171 0.000 1.231 222 Q HN 0.151 nan 8.270 nan 0.000 0.418 223 K N 2.683 123.167 120.400 0.141 0.000 2.307 223 K HA 0.312 4.631 4.320 -0.001 0.000 0.263 223 K C -0.607 176.153 176.600 0.267 0.000 0.973 223 K CA -0.046 56.371 56.287 0.217 0.000 0.846 223 K CB 1.726 34.393 32.500 0.279 0.000 1.100 223 K HN 0.417 nan 8.250 nan 0.000 0.438 224 E N 3.687 123.991 120.200 0.173 0.000 2.227 224 E HA 0.507 4.857 4.350 -0.001 0.000 0.268 224 E C -2.511 173.906 176.600 -0.304 0.000 0.907 224 E CA -2.258 54.173 56.400 0.050 0.000 0.786 224 E CB 1.757 31.461 29.700 0.006 0.000 1.191 224 E HN 0.122 nan 8.360 nan 0.000 0.411 225 P HA 0.130 nan 4.420 nan 0.000 0.269 225 P C -2.211 174.756 177.300 -0.555 0.000 1.209 225 P CA -0.967 61.384 63.100 -1.248 0.000 0.776 225 P CB -0.319 30.837 31.700 -0.906 0.000 0.876 226 P HA 0.241 nan 4.420 nan 0.000 0.275 226 P C -1.007 175.967 177.300 -0.542 0.000 1.227 226 P CA 0.129 62.837 63.100 -0.654 0.000 0.781 226 P CB 0.274 31.600 31.700 -0.624 0.000 0.906 227 F N 1.294 121.231 119.950 -0.021 0.000 2.443 227 F HA 0.310 4.836 4.527 -0.001 0.000 0.335 227 F C 0.583 176.466 175.800 0.138 0.000 1.104 227 F CA -1.082 56.965 58.000 0.079 0.000 1.013 227 F CB 0.873 39.922 39.000 0.081 0.000 1.136 227 F HN 0.014 nan 8.300 nan 0.000 0.470 228 L N 2.209 123.649 121.223 0.360 0.000 2.326 228 L HA 0.256 4.596 4.340 -0.001 0.000 0.278 228 L C -1.064 176.067 176.870 0.434 0.000 1.092 228 L CA -0.304 54.730 54.840 0.322 0.000 0.810 228 L CB 1.001 43.192 42.059 0.220 0.000 1.153 228 L HN 0.908 nan 8.230 nan 0.000 0.439 229 W N 6.565 127.983 121.300 0.195 0.000 3.651 229 W HA 0.318 4.978 4.660 -0.000 0.000 0.322 229 W C -0.135 176.496 176.519 0.187 0.000 1.132 229 W CA -0.702 56.741 57.345 0.163 0.000 1.277 229 W CB 0.782 30.284 29.460 0.070 0.000 1.249 229 W HN 0.463 nan 8.180 nan 0.000 0.448 230 M N 4.842 124.108 119.600 -0.557 0.000 2.762 230 M HA -0.220 4.259 4.480 -0.001 0.000 0.190 230 M C 1.135 177.145 176.300 -0.483 0.000 0.586 230 M CA 2.236 57.114 55.300 -0.703 0.000 0.620 230 M CB -1.987 29.794 32.600 -1.365 0.000 2.269 230 M HN 1.654 nan 8.290 nan 0.000 0.563 231 G N -2.065 106.552 108.800 -0.306 0.000 2.184 231 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.206 231 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.206 231 G C -0.296 174.562 174.900 -0.071 0.000 0.995 231 G CA 0.098 45.002 45.100 -0.326 0.000 0.651 231 G HN 0.488 nan 8.290 nan 0.000 0.511 232 Y N 0.124 120.560 120.300 0.228 0.000 2.568 232 Y HA 0.716 5.266 4.550 -0.000 0.000 0.327 232 Y C 0.548 176.643 175.900 0.324 0.000 1.163 232 Y CA -1.007 57.289 58.100 0.326 0.000 1.219 232 Y CB 1.345 39.969 38.460 0.273 0.000 1.308 232 Y HN 0.081 nan 8.280 nan 0.000 0.503 233 E N 1.920 122.453 120.200 0.554 0.000 2.331 233 E HA 0.323 4.672 4.350 -0.001 0.000 0.243 233 E C -1.872 174.978 176.600 0.417 0.000 0.925 233 E CA -0.570 56.065 56.400 0.391 0.000 0.760 233 E CB 0.451 30.343 29.700 0.320 0.000 1.254 233 E HN 0.405 nan 8.360 nan 0.000 0.419 234 L N 5.107 126.544 121.223 0.357 0.000 2.290 234 L HA 0.367 4.706 4.340 -0.001 0.000 0.284 234 L C 0.459 177.430 176.870 0.168 0.000 1.078 234 L CA -0.163 54.914 54.840 0.396 0.000 0.815 234 L CB 0.263 42.545 42.059 0.371 0.000 1.162 234 L HN 0.598 nan 8.230 nan 0.000 0.435 235 H N 4.006 123.226 119.070 0.250 0.000 2.595 235 H HA 0.281 4.836 4.556 -0.002 0.000 0.346 235 H C -1.619 173.866 175.328 0.261 0.000 1.181 235 H CA -1.797 54.336 56.048 0.142 0.000 1.242 235 H CB 1.488 31.278 29.762 0.047 0.000 1.652 235 H HN 0.291 nan 8.280 nan 0.000 0.548 236 P HA -0.128 nan 4.420 nan 0.000 0.225 236 P C 0.677 178.185 177.300 0.347 0.000 1.148 236 P CA 1.299 64.542 63.100 0.239 0.000 0.779 236 P CB 0.330 32.102 31.700 0.121 0.000 0.780 237 D N -1.762 118.852 120.400 0.357 0.000 2.482 237 D HA 0.030 4.669 4.640 -0.001 0.000 0.251 237 D C 0.699 177.068 176.300 0.114 0.000 1.073 237 D CA 0.437 54.593 54.000 0.259 0.000 0.892 237 D CB 0.323 41.168 40.800 0.075 0.000 1.202 237 D HN 0.234 nan 8.370 nan 0.000 0.496 238 K N -0.597 119.794 120.400 -0.014 0.000 2.469 238 K HA 0.520 4.839 4.320 -0.001 0.000 0.268 238 K C -1.057 175.487 176.600 -0.093 0.000 1.027 238 K CA -1.027 55.065 56.287 -0.325 0.000 0.893 238 K CB 2.312 34.552 32.500 -0.435 0.000 1.460 238 K HN 0.197 nan 8.250 nan 0.000 0.449 239 W N -0.256 120.911 121.300 -0.222 0.000 3.062 239 W HA 0.684 5.342 4.660 -0.003 0.000 0.336 239 W C -1.631 174.962 176.519 0.124 0.000 1.224 239 W CA -0.909 56.478 57.345 0.070 0.000 1.159 239 W CB 1.303 30.806 29.460 0.071 0.000 1.454 239 W HN 0.781 nan 8.180 nan 0.000 0.569 240 T N -0.000 114.769 114.554 0.359 0.000 2.739 240 T HA 0.472 4.821 4.350 -0.001 0.000 0.303 240 T C -0.862 174.192 174.700 0.591 0.000 1.389 240 T CA -0.259 61.925 62.100 0.140 0.000 1.001 240 T CB 1.036 69.951 68.868 0.079 0.000 1.436 240 T HN 0.894 nan 8.240 nan 0.000 0.500 241 V N 1.919 122.113 119.914 0.466 0.000 2.775 241 V HA 0.545 4.665 4.120 -0.001 0.000 0.299 241 V C 0.524 176.837 176.094 0.365 0.000 1.062 241 V CA -0.589 61.984 62.300 0.456 0.000 1.063 241 V CB 0.522 32.536 31.823 0.318 0.000 0.994 241 V HN 1.032 nan 8.190 nan 0.000 0.483 242 Q N 3.204 123.199 119.800 0.324 0.000 2.417 242 Q HA 0.441 4.781 4.340 -0.001 0.000 0.241 242 Q C -2.453 173.646 176.000 0.166 0.000 1.008 242 Q CA -1.653 54.283 55.803 0.221 0.000 0.901 242 Q CB -0.101 28.730 28.738 0.157 0.000 1.259 242 Q HN 0.627 nan 8.270 nan 0.000 0.489 243 P HA -0.018 nan 4.420 nan 0.000 0.261 243 P C -0.881 176.453 177.300 0.057 0.000 1.173 243 P CA 0.535 63.689 63.100 0.090 0.000 0.760 243 P CB 0.066 31.809 31.700 0.071 0.000 0.783 244 I N 0.841 121.432 120.570 0.034 0.000 2.420 244 I HA 0.477 4.646 4.170 -0.001 0.000 0.282 244 I C -0.591 175.519 176.117 -0.011 0.000 1.019 244 I CA -1.233 60.072 61.300 0.009 0.000 1.130 244 I CB 1.853 39.858 38.000 0.008 0.000 1.262 244 I HN 0.006 nan 8.210 nan 0.000 0.454 245 V N 7.901 127.815 119.914 0.000 0.000 2.432 245 V HA 0.442 4.562 4.120 -0.001 0.000 0.275 245 V C 0.064 176.169 176.094 0.018 0.000 1.043 245 V CA -0.448 61.854 62.300 0.004 0.000 0.925 245 V CB 1.425 33.252 31.823 0.006 0.000 0.985 245 V HN 0.666 nan 8.190 nan 0.000 0.466 246 L N 8.785 130.025 121.223 0.028 0.000 2.276 246 L HA 0.466 4.805 4.340 -0.001 0.000 0.286 246 L C -1.965 174.967 176.870 0.104 0.000 1.061 246 L CA -1.734 53.152 54.840 0.078 0.000 0.807 246 L CB 0.840 42.941 42.059 0.069 0.000 1.177 246 L HN 0.493 nan 8.230 nan 0.000 0.429 247 P HA 0.046 nan 4.420 nan 0.000 0.268 247 P C -0.789 176.553 177.300 0.070 0.000 1.208 247 P CA -0.059 63.063 63.100 0.036 0.000 0.777 247 P CB 0.501 32.146 31.700 -0.091 0.000 0.875 248 E N 2.357 122.543 120.200 -0.022 0.000 2.173 248 E HA 0.232 4.582 4.350 -0.001 0.000 0.249 248 E C -0.533 175.997 176.600 -0.116 0.000 0.923 248 E CA -0.474 55.927 56.400 0.000 0.000 0.754 248 E CB 0.758 30.463 29.700 0.010 0.000 1.177 248 E HN 0.341 nan 8.360 nan 0.000 0.430 249 K N 1.326 121.589 120.400 -0.228 0.000 2.328 249 K HA 0.282 4.601 4.320 -0.001 0.000 0.246 249 K C -0.103 176.369 176.600 -0.214 0.000 0.955 249 K CA -0.809 55.239 56.287 -0.398 0.000 0.817 249 K CB 1.673 33.621 32.500 -0.921 0.000 1.208 249 K HN 0.119 nan 8.250 nan 0.000 0.432 250 D N 0.139 120.446 120.400 -0.155 0.000 2.305 250 D HA 0.007 4.647 4.640 -0.001 0.000 0.206 250 D C -0.262 176.024 176.300 -0.023 0.000 0.974 250 D CA 0.800 54.780 54.000 -0.034 0.000 0.871 250 D CB 0.449 41.234 40.800 -0.024 0.000 0.947 250 D HN 0.225 nan 8.370 nan 0.000 0.516 251 S N 0.209 115.813 115.700 -0.160 0.000 2.519 251 S HA 0.392 4.862 4.470 -0.001 0.000 0.309 251 S C -1.117 173.356 174.600 -0.211 0.000 1.100 251 S CA -0.747 57.400 58.200 -0.087 0.000 1.059 251 S CB 1.247 64.404 63.200 -0.071 0.000 1.008 251 S HN 0.093 nan 8.310 nan 0.000 0.478 252 W N 2.530 123.823 121.300 -0.012 0.000 2.361 252 W HA 0.405 5.064 4.660 -0.001 0.000 0.314 252 W C 0.772 177.283 176.519 -0.013 0.000 1.041 252 W CA -0.651 56.686 57.345 -0.013 0.000 1.241 252 W CB 1.059 30.511 29.460 -0.014 0.000 1.279 252 W HN 0.633 nan 8.180 nan 0.000 0.436 253 T N -1.347 113.309 114.554 0.169 0.000 2.849 253 T HA 0.158 4.508 4.350 -0.001 0.000 0.284 253 T C 1.038 175.816 174.700 0.129 0.000 1.004 253 T CA -0.734 61.431 62.100 0.108 0.000 1.021 253 T CB 1.363 70.259 68.868 0.047 0.000 1.013 253 T HN 0.219 nan 8.240 nan 0.000 0.527 254 V N 1.837 121.799 119.914 0.079 0.000 2.317 254 V HA -0.249 3.871 4.120 -0.001 0.000 0.251 254 V C 2.912 179.044 176.094 0.063 0.000 1.065 254 V CA 2.398 64.734 62.300 0.061 0.000 1.049 254 V CB -1.114 30.729 31.823 0.034 0.000 0.651 254 V HN 1.035 nan 8.190 nan 0.000 0.450 255 N N -0.222 118.511 118.700 0.055 0.000 2.166 255 N HA -0.201 4.539 4.740 -0.001 0.000 0.186 255 N C 1.510 177.066 175.510 0.076 0.000 1.019 255 N CA 1.629 54.706 53.050 0.045 0.000 0.856 255 N CB -0.075 38.426 38.487 0.023 0.000 0.993 255 N HN 0.481 nan 8.380 nan 0.000 0.426 256 D N 0.849 121.322 120.400 0.123 0.000 2.144 256 D HA -0.059 4.580 4.640 -0.001 0.000 0.200 256 D C 1.986 178.486 176.300 0.334 0.000 0.978 256 D CA 0.648 54.781 54.000 0.221 0.000 0.833 256 D CB -0.059 40.886 40.800 0.242 0.000 0.961 256 D HN 0.448 nan 8.370 nan 0.000 0.470 257 I N 0.487 121.204 120.570 0.245 0.000 2.617 257 I HA -0.180 3.989 4.170 -0.001 0.000 0.256 257 I C 2.335 178.479 176.117 0.045 0.000 1.167 257 I CA 0.617 61.976 61.300 0.097 0.000 1.469 257 I CB -0.125 37.890 38.000 0.026 0.000 1.098 257 I HN -0.074 nan 8.210 nan 0.000 0.436 258 Q N 1.109 120.942 119.800 0.054 0.000 2.016 258 Q HA -0.186 4.154 4.340 -0.001 0.000 0.200 258 Q C 2.161 178.178 176.000 0.029 0.000 0.978 258 Q CA 1.466 57.286 55.803 0.027 0.000 0.833 258 Q CB -0.000 28.750 28.738 0.021 0.000 0.895 258 Q HN 0.358 nan 8.270 nan 0.000 0.427 259 K N 0.247 120.674 120.400 0.045 0.000 2.209 259 K HA -0.169 4.151 4.320 -0.001 0.000 0.204 259 K C 1.905 178.533 176.600 0.047 0.000 1.048 259 K CA 0.799 57.107 56.287 0.036 0.000 0.940 259 K CB -0.083 32.440 32.500 0.039 0.000 0.729 259 K HN 0.073 nan 8.250 nan 0.000 0.451 260 L N 0.281 121.549 121.223 0.074 0.000 2.023 260 L HA -0.095 4.244 4.340 -0.001 0.000 0.205 260 L C 1.827 178.700 176.870 0.005 0.000 1.073 260 L CA 1.436 56.305 54.840 0.049 0.000 0.745 260 L CB -0.374 41.701 42.059 0.027 0.000 0.900 260 L HN -0.121 nan 8.230 nan 0.000 0.435 261 V N 0.459 120.366 119.914 -0.010 0.000 2.546 261 V HA -0.232 3.888 4.120 -0.001 0.000 0.254 261 V C 2.397 178.502 176.094 0.017 0.000 1.076 261 V CA 1.769 64.063 62.300 -0.011 0.000 1.087 261 V CB -1.488 30.325 31.823 -0.017 0.000 0.674 261 V HN 0.675 nan 8.190 nan 0.000 0.470 262 G N -1.153 107.662 108.800 0.025 0.000 2.744 262 G HA2 -0.050 3.910 3.960 -0.001 0.000 0.211 262 G HA3 -0.050 3.910 3.960 -0.001 0.000 0.211 262 G C 1.581 176.525 174.900 0.073 0.000 1.146 262 G CA 0.062 45.188 45.100 0.043 0.000 0.787 262 G HN 0.449 nan 8.290 nan 0.000 0.534 263 K N -0.455 119.978 120.400 0.055 0.000 2.186 263 K HA 0.190 4.510 4.320 -0.001 0.000 0.202 263 K C 2.134 178.795 176.600 0.102 0.000 1.052 263 K CA 0.092 56.425 56.287 0.076 0.000 0.965 263 K CB -0.041 32.478 32.500 0.033 0.000 0.746 263 K HN 0.074 nan 8.250 nan 0.000 0.457 264 L N 1.714 122.969 121.223 0.052 0.000 2.005 264 L HA -0.125 4.215 4.340 -0.001 0.000 0.207 264 L C 1.697 178.602 176.870 0.058 0.000 1.072 264 L CA 1.627 56.482 54.840 0.024 0.000 0.744 264 L CB -1.068 40.986 42.059 -0.008 0.000 0.895 264 L HN 0.168 nan 8.230 nan 0.000 0.433 265 N N -0.978 117.767 118.700 0.076 0.000 2.060 265 N HA -0.300 4.439 4.740 -0.001 0.000 0.195 265 N C 1.689 177.287 175.510 0.147 0.000 1.028 265 N CA 1.479 54.587 53.050 0.097 0.000 0.861 265 N CB -0.485 38.065 38.487 0.104 0.000 1.029 265 N HN 0.505 nan 8.380 nan 0.000 0.428 266 W N 1.685 122.982 121.300 -0.005 0.000 2.355 266 W HA -0.150 4.509 4.660 -0.001 0.000 0.309 266 W C 2.095 178.643 176.519 0.047 0.000 1.206 266 W CA 1.714 59.056 57.345 -0.004 0.000 1.284 266 W CB -0.263 29.164 29.460 -0.056 0.000 1.145 266 W HN 0.091 nan 8.180 nan 0.000 0.502 267 A N 0.814 123.699 122.820 0.108 0.000 1.948 267 A HA -0.280 4.039 4.320 -0.001 0.000 0.220 267 A C 1.906 179.536 177.584 0.076 0.000 1.177 267 A CA 2.539 54.602 52.037 0.044 0.000 0.636 267 A CB -1.385 17.573 19.000 -0.071 0.000 0.815 267 A HN 0.398 nan 8.150 nan 0.000 0.449 268 S N -0.619 115.102 115.700 0.035 0.000 2.584 268 S HA -0.148 4.321 4.470 -0.001 0.000 0.240 268 S C 1.502 176.104 174.600 0.005 0.000 0.975 268 S CA 1.128 59.348 58.200 0.033 0.000 0.949 268 S CB -0.458 62.750 63.200 0.012 0.000 0.761 268 S HN 0.705 nan 8.310 nan 0.000 0.536 269 Q N -0.580 119.225 119.800 0.008 0.000 2.311 269 Q HA 0.231 4.570 4.340 -0.001 0.000 0.203 269 Q C 1.426 177.523 176.000 0.163 0.000 0.954 269 Q CA 0.996 56.844 55.803 0.076 0.000 0.885 269 Q CB 0.022 28.817 28.738 0.096 0.000 0.963 269 Q HN 0.668 nan 8.270 nan 0.000 0.471 270 I N -2.461 118.166 120.570 0.095 0.000 5.046 270 I HA 0.052 4.222 4.170 -0.001 0.000 0.341 270 I C -0.919 175.077 176.117 -0.202 0.000 1.257 270 I CA -0.077 61.180 61.300 -0.071 0.000 1.421 270 I CB 0.962 38.806 38.000 -0.261 0.000 1.495 270 I HN -0.118 nan 8.210 nan 0.000 0.518 271 Y N 5.196 125.444 120.300 -0.087 0.000 2.504 271 Y HA 0.418 4.968 4.550 0.000 0.000 0.351 271 Y C -2.010 173.842 175.900 -0.080 0.000 0.988 271 Y CA -2.428 55.622 58.100 -0.083 0.000 1.239 271 Y CB 0.147 38.572 38.460 -0.058 0.000 1.128 271 Y HN 0.062 nan 8.280 nan 0.000 0.525 272 P HA 0.044 nan 4.420 nan 0.000 0.268 272 P C 0.544 177.840 177.300 -0.007 0.000 1.205 272 P CA 0.447 63.523 63.100 -0.040 0.000 0.771 272 P CB 1.049 32.705 31.700 -0.075 0.000 0.858 273 G N 3.149 111.940 108.800 -0.015 0.000 2.298 273 G HA2 -0.192 3.767 3.960 -0.001 0.000 0.287 273 G HA3 -0.192 3.767 3.960 -0.001 0.000 0.287 273 G C 0.061 174.961 174.900 -0.001 0.000 1.075 273 G CA -0.514 44.581 45.100 -0.010 0.000 0.960 273 G HN 0.487 nan 8.290 nan 0.000 0.502 274 I N -0.306 120.269 120.570 0.008 0.000 2.428 274 I HA 0.406 4.575 4.170 -0.001 0.000 0.289 274 I C 0.591 176.703 176.117 -0.009 0.000 1.019 274 I CA 0.065 61.366 61.300 0.002 0.000 1.351 274 I CB 1.384 39.391 38.000 0.011 0.000 1.412 274 I HN 0.112 nan 8.210 nan 0.000 0.513 275 K N 3.999 124.385 120.400 -0.023 0.000 2.375 275 K HA 0.559 4.879 4.320 -0.001 0.000 0.249 275 K C 0.153 176.728 176.600 -0.041 0.000 0.942 275 K CA -0.510 55.758 56.287 -0.031 0.000 0.806 275 K CB 2.646 35.120 32.500 -0.042 0.000 1.227 275 K HN 0.446 nan 8.250 nan 0.000 0.430 276 V N -1.412 118.478 119.914 -0.041 0.000 3.544 276 V HA 0.225 4.345 4.120 -0.001 0.000 0.298 276 V C 1.420 177.483 176.094 -0.052 0.000 1.580 276 V CA -0.197 62.074 62.300 -0.050 0.000 1.122 276 V CB 0.248 32.050 31.823 -0.035 0.000 0.951 276 V HN 0.734 nan 8.190 nan 0.000 0.448 277 R N 0.545 121.015 120.500 -0.049 0.000 2.091 277 R HA -0.147 4.193 4.340 -0.001 0.000 0.238 277 R C 2.210 178.477 176.300 -0.055 0.000 1.136 277 R CA 2.371 58.441 56.100 -0.049 0.000 0.959 277 R CB -0.077 30.192 30.300 -0.050 0.000 0.856 277 R HN 0.505 nan 8.270 nan 0.000 0.437 278 Q N 0.266 120.027 119.800 -0.064 0.000 2.187 278 Q HA -0.014 4.325 4.340 -0.001 0.000 0.199 278 Q C 2.106 178.055 176.000 -0.085 0.000 0.957 278 Q CA 1.080 56.841 55.803 -0.070 0.000 0.857 278 Q CB 0.037 28.731 28.738 -0.073 0.000 0.929 278 Q HN 0.430 nan 8.270 nan 0.000 0.453 279 L N -1.158 120.006 121.223 -0.099 0.000 2.240 279 L HA -0.102 4.237 4.340 -0.001 0.000 0.211 279 L C 2.226 179.043 176.870 -0.089 0.000 1.106 279 L CA 0.401 55.168 54.840 -0.122 0.000 0.793 279 L CB -0.183 41.786 42.059 -0.149 0.000 0.927 279 L HN 0.168 nan 8.230 nan 0.000 0.446 280 C N -0.486 118.775 119.300 -0.065 0.000 2.468 280 C HA -0.057 4.402 4.460 -0.001 0.000 0.277 280 C C 2.764 177.730 174.990 -0.041 0.000 1.400 280 C CA 0.175 59.165 59.018 -0.047 0.000 1.770 280 C CB -0.478 27.240 27.740 -0.038 0.000 1.905 280 C HN 0.371 nan 8.230 nan 0.000 0.519 281 K N 0.713 121.085 120.400 -0.045 0.000 2.063 281 K HA -0.128 4.192 4.320 -0.001 0.000 0.208 281 K C 1.936 178.516 176.600 -0.033 0.000 1.048 281 K CA 1.144 57.408 56.287 -0.037 0.000 0.928 281 K CB -0.277 32.199 32.500 -0.040 0.000 0.713 281 K HN 0.350 nan 8.250 nan 0.000 0.442 282 L N 0.817 122.014 121.223 -0.042 0.000 1.978 282 L HA -0.259 4.080 4.340 -0.001 0.000 0.218 282 L C 2.394 179.252 176.870 -0.020 0.000 1.075 282 L CA 1.585 56.405 54.840 -0.034 0.000 0.767 282 L CB -1.523 40.508 42.059 -0.047 0.000 0.890 282 L HN 0.187 nan 8.230 nan 0.000 0.434 283 L N -0.371 120.839 121.223 -0.021 0.000 2.187 283 L HA -0.117 4.222 4.340 -0.001 0.000 0.213 283 L C 1.588 178.453 176.870 -0.009 0.000 1.100 283 L CA 0.890 55.723 54.840 -0.012 0.000 0.765 283 L CB -0.906 41.146 42.059 -0.013 0.000 0.904 283 L HN 0.256 nan 8.230 nan 0.000 0.437 284 R N -0.106 120.387 120.500 -0.013 0.000 2.697 284 R HA 0.329 4.668 4.340 -0.001 0.000 0.265 284 R C 0.730 177.026 176.300 -0.006 0.000 1.009 284 R CA 0.825 56.919 56.100 -0.010 0.000 1.099 284 R CB -0.247 30.046 30.300 -0.012 0.000 0.965 284 R HN 0.335 nan 8.270 nan 0.000 0.428 285 G N 0.231 109.029 108.800 -0.004 0.000 2.655 285 G HA2 -0.213 3.747 3.960 -0.001 0.000 0.680 285 G HA3 -0.213 3.747 3.960 -0.001 0.000 0.680 285 G C -0.887 174.013 174.900 0.000 0.000 1.302 285 G CA -0.363 44.736 45.100 -0.001 0.000 0.872 285 G HN 0.584 nan 8.290 nan 0.000 0.540 286 T N 0.412 114.967 114.554 0.001 0.000 2.842 286 T HA 0.691 5.040 4.350 -0.001 0.000 0.308 286 T C -0.207 174.495 174.700 0.003 0.000 1.041 286 T CA -0.161 61.940 62.100 0.002 0.000 0.964 286 T CB 0.205 69.074 68.868 0.002 0.000 0.972 286 T HN 0.695 nan 8.240 nan 0.000 0.460 287 K N 2.254 122.657 120.400 0.005 0.000 2.512 287 K HA 0.779 5.098 4.320 -0.001 0.000 0.263 287 K C -0.784 175.820 176.600 0.007 0.000 0.966 287 K CA -0.994 55.297 56.287 0.006 0.000 0.851 287 K CB 2.067 34.572 32.500 0.009 0.000 1.395 287 K HN 0.612 nan 8.250 nan 0.000 0.440 288 A N 1.326 124.150 122.820 0.007 0.000 2.351 288 A HA 0.206 4.525 4.320 -0.001 0.000 0.257 288 A C 0.919 178.508 177.584 0.009 0.000 1.087 288 A CA -0.224 51.817 52.037 0.006 0.000 0.798 288 A CB 0.178 19.181 19.000 0.004 0.000 1.033 288 A HN 0.752 nan 8.150 nan 0.000 0.488 289 L N 1.619 122.846 121.223 0.007 0.000 2.189 289 L HA -0.186 4.153 4.340 -0.001 0.000 0.214 289 L C 2.650 179.528 176.870 0.013 0.000 1.097 289 L CA 2.779 57.625 54.840 0.010 0.000 0.764 289 L CB -0.415 41.646 42.059 0.004 0.000 0.900 289 L HN 0.954 nan 8.230 nan 0.000 0.436 290 T N -4.668 109.891 114.554 0.008 0.000 3.065 290 T HA 0.014 4.363 4.350 -0.001 0.000 0.252 290 T C 0.862 175.569 174.700 0.011 0.000 1.099 290 T CA -0.341 61.763 62.100 0.006 0.000 1.063 290 T CB -0.270 68.598 68.868 -0.001 0.000 0.948 290 T HN 0.313 nan 8.240 nan 0.000 0.506 291 E N 1.539 121.748 120.200 0.015 0.000 2.415 291 E HA 0.215 4.564 4.350 -0.001 0.000 0.263 291 E C -0.814 175.805 176.600 0.031 0.000 0.995 291 E CA -0.315 56.096 56.400 0.018 0.000 0.915 291 E CB 0.661 30.371 29.700 0.016 0.000 0.951 291 E HN 0.086 nan 8.360 nan 0.000 0.449 292 V N 6.319 126.253 119.914 0.032 0.000 2.530 292 V HA 0.114 4.234 4.120 -0.001 0.000 0.282 292 V C 0.174 176.303 176.094 0.058 0.000 1.048 292 V CA -0.316 62.015 62.300 0.052 0.000 0.997 292 V CB 1.072 32.920 31.823 0.043 0.000 0.987 292 V HN 0.567 nan 8.190 nan 0.000 0.477 293 I N 7.797 128.418 120.570 0.084 0.000 2.355 293 I HA 0.378 4.547 4.170 -0.001 0.000 0.288 293 I C -2.203 173.961 176.117 0.079 0.000 0.999 293 I CA -2.630 58.708 61.300 0.065 0.000 1.163 293 I CB 1.607 39.637 38.000 0.050 0.000 1.316 293 I HN 0.422 nan 8.210 nan 0.000 0.454 294 P HA 0.259 nan 4.420 nan 0.000 0.276 294 P C -0.514 176.795 177.300 0.014 0.000 1.235 294 P CA -0.338 62.792 63.100 0.050 0.000 0.772 294 P CB 0.949 32.670 31.700 0.036 0.000 0.871 295 L N 2.912 124.136 121.223 0.002 0.000 2.380 295 L HA 0.217 4.557 4.340 -0.001 0.000 0.273 295 L C 1.670 178.515 176.870 -0.041 0.000 1.138 295 L CA -0.437 54.369 54.840 -0.057 0.000 0.832 295 L CB 0.224 42.212 42.059 -0.118 0.000 1.124 295 L HN 0.443 nan 8.230 nan 0.000 0.454 296 T N -1.696 112.827 114.554 -0.052 0.000 2.726 296 T HA 0.017 4.366 4.350 -0.001 0.000 0.294 296 T C 0.892 175.566 174.700 -0.043 0.000 1.013 296 T CA -0.409 61.667 62.100 -0.041 0.000 0.996 296 T CB 1.323 70.165 68.868 -0.043 0.000 1.016 296 T HN 0.673 nan 8.240 nan 0.000 0.529 297 E N 0.710 120.889 120.200 -0.034 0.000 2.047 297 E HA -0.169 4.181 4.350 -0.001 0.000 0.191 297 E C 2.177 178.752 176.600 -0.042 0.000 0.987 297 E CA 1.560 57.941 56.400 -0.033 0.000 0.799 297 E CB -0.296 29.389 29.700 -0.025 0.000 0.752 297 E HN 0.774 nan 8.360 nan 0.000 0.449 298 E N 0.731 120.904 120.200 -0.044 0.000 2.110 298 E HA -0.192 4.157 4.350 -0.001 0.000 0.193 298 E C 1.994 178.555 176.600 -0.064 0.000 0.988 298 E CA 1.326 57.696 56.400 -0.050 0.000 0.804 298 E CB -0.655 29.016 29.700 -0.047 0.000 0.745 298 E HN 0.321 nan 8.360 nan 0.000 0.458 299 A N 1.402 124.177 122.820 -0.075 0.000 1.897 299 A HA -0.158 4.162 4.320 -0.001 0.000 0.215 299 A C 2.165 179.677 177.584 -0.120 0.000 1.181 299 A CA 1.523 53.498 52.037 -0.104 0.000 0.620 299 A CB -0.495 18.434 19.000 -0.118 0.000 0.821 299 A HN 0.281 nan 8.150 nan 0.000 0.443 300 E N -0.474 119.665 120.200 -0.101 0.000 2.110 300 E HA -0.158 4.191 4.350 -0.001 0.000 0.193 300 E C 1.732 178.289 176.600 -0.071 0.000 0.988 300 E CA 0.897 57.242 56.400 -0.092 0.000 0.804 300 E CB -0.207 29.459 29.700 -0.056 0.000 0.745 300 E HN 0.340 nan 8.360 nan 0.000 0.458 301 L N 1.096 122.283 121.223 -0.060 0.000 2.012 301 L HA -0.178 4.162 4.340 -0.001 0.000 0.210 301 L C 2.295 179.130 176.870 -0.058 0.000 1.073 301 L CA 1.981 56.791 54.840 -0.050 0.000 0.748 301 L CB -1.087 40.944 42.059 -0.045 0.000 0.891 301 L HN 0.259 nan 8.230 nan 0.000 0.431 302 E N -0.468 119.689 120.200 -0.071 0.000 2.017 302 E HA -0.243 4.107 4.350 -0.001 0.000 0.193 302 E C 2.419 178.969 176.600 -0.082 0.000 0.997 302 E CA 1.107 57.462 56.400 -0.075 0.000 0.804 302 E CB -0.260 29.389 29.700 -0.085 0.000 0.757 302 E HN 0.354 nan 8.360 nan 0.000 0.448 303 L N 0.308 121.464 121.223 -0.112 0.000 2.064 303 L HA -0.331 4.009 4.340 -0.001 0.000 0.216 303 L C 2.384 179.213 176.870 -0.069 0.000 1.077 303 L CA 1.565 56.333 54.840 -0.119 0.000 0.766 303 L CB -0.415 41.541 42.059 -0.172 0.000 0.890 303 L HN 0.278 nan 8.230 nan 0.000 0.435 304 A N -0.331 122.456 122.820 -0.054 0.000 1.841 304 A HA -0.283 4.036 4.320 -0.001 0.000 0.216 304 A C 1.975 179.541 177.584 -0.031 0.000 1.199 304 A CA 1.966 53.984 52.037 -0.033 0.000 0.621 304 A CB -0.751 18.232 19.000 -0.029 0.000 0.835 304 A HN 0.551 nan 8.150 nan 0.000 0.445 305 E N -0.204 119.974 120.200 -0.036 0.000 2.048 305 E HA -0.257 4.093 4.350 -0.001 0.000 0.202 305 E C 1.925 178.508 176.600 -0.029 0.000 1.021 305 E CA 1.474 57.855 56.400 -0.031 0.000 0.825 305 E CB -0.361 29.317 29.700 -0.036 0.000 0.756 305 E HN 0.561 nan 8.360 nan 0.000 0.454 306 N N 0.566 119.243 118.700 -0.040 0.000 2.149 306 N HA -0.178 4.562 4.740 -0.001 0.000 0.188 306 N C 1.829 177.314 175.510 -0.042 0.000 1.019 306 N CA 0.990 54.015 53.050 -0.042 0.000 0.857 306 N CB -0.310 38.143 38.487 -0.058 0.000 0.997 306 N HN 0.058 nan 8.380 nan 0.000 0.426 307 R N 1.068 121.548 120.500 -0.034 0.000 2.120 307 R HA -0.080 4.259 4.340 -0.001 0.000 0.234 307 R C 1.857 178.147 176.300 -0.016 0.000 1.123 307 R CA 1.206 57.292 56.100 -0.024 0.000 0.975 307 R CB -0.064 30.230 30.300 -0.009 0.000 0.866 307 R HN 0.088 nan 8.270 nan 0.000 0.446 308 E N 0.111 120.305 120.200 -0.010 0.000 2.140 308 E HA 0.034 4.383 4.350 -0.001 0.000 0.191 308 E C 1.697 178.307 176.600 0.016 0.000 0.973 308 E CA 0.934 57.335 56.400 0.001 0.000 0.829 308 E CB -0.098 29.601 29.700 -0.003 0.000 0.781 308 E HN 0.379 nan 8.360 nan 0.000 0.466 309 I N 0.516 121.097 120.570 0.018 0.000 2.399 309 I HA -0.269 3.900 4.170 -0.001 0.000 0.254 309 I C 1.782 177.978 176.117 0.132 0.000 1.146 309 I CA 1.026 62.364 61.300 0.064 0.000 1.412 309 I CB -0.141 37.892 38.000 0.054 0.000 1.076 309 I HN 0.197 nan 8.210 nan 0.000 0.432 310 L N -0.351 120.880 121.223 0.014 0.000 2.554 310 L HA 0.020 4.359 4.340 -0.001 0.000 0.225 310 L C 2.221 179.107 176.870 0.026 0.000 1.104 310 L CA 0.222 55.010 54.840 -0.087 0.000 0.866 310 L CB -0.158 41.754 42.059 -0.245 0.000 1.047 310 L HN 0.080 nan 8.230 nan 0.000 0.468 311 K N 0.588 121.011 120.400 0.037 0.000 2.283 311 K HA -0.099 4.221 4.320 -0.001 0.000 0.202 311 K C 0.637 177.269 176.600 0.054 0.000 1.048 311 K CA 0.709 57.016 56.287 0.033 0.000 0.948 311 K CB 0.133 32.645 32.500 0.020 0.000 0.742 311 K HN 0.259 nan 8.250 nan 0.000 0.458 312 E N 1.660 121.908 120.200 0.081 0.000 2.183 312 E HA 0.245 4.595 4.350 -0.001 0.000 0.271 312 E C -2.768 173.905 176.600 0.121 0.000 0.919 312 E CA -2.780 53.661 56.400 0.069 0.000 0.781 312 E CB 1.260 30.974 29.700 0.023 0.000 1.140 312 E HN -0.178 nan 8.360 nan 0.000 0.402 313 P HA 0.150 nan 4.420 nan 0.000 0.270 313 P C -0.484 176.765 177.300 -0.085 0.000 1.223 313 P CA -0.392 62.770 63.100 0.103 0.000 0.785 313 P CB 0.856 32.607 31.700 0.084 0.000 0.923 314 V N 2.098 121.868 119.914 -0.241 0.000 2.932 314 V HA 0.401 4.520 4.120 -0.001 0.000 0.307 314 V C -0.242 175.556 176.094 -0.493 0.000 1.147 314 V CA -0.586 61.367 62.300 -0.579 0.000 0.951 314 V CB 2.142 33.346 31.823 -1.031 0.000 1.031 314 V HN 0.864 nan 8.190 nan 0.000 0.426 315 H N 1.200 120.002 119.070 -0.447 0.000 2.895 315 H HA 0.788 5.344 4.556 0.001 0.000 0.373 315 H C -0.301 174.620 175.328 -0.679 0.000 1.174 315 H CA -0.707 55.008 56.048 -0.554 0.000 1.144 315 H CB 2.478 31.983 29.762 -0.429 0.000 1.793 315 H HN 0.814 nan 8.280 nan 0.000 0.551 316 G N 0.783 108.979 108.800 -1.007 0.000 2.410 316 G HA2 0.475 4.435 3.960 -0.001 0.000 0.330 316 G HA3 0.475 4.435 3.960 -0.001 0.000 0.330 316 G C 0.214 174.806 174.900 -0.513 0.000 1.142 316 G CA -0.408 44.181 45.100 -0.852 0.000 0.902 316 G HN 0.635 nan 8.290 nan 0.000 0.491 317 V N -0.692 119.158 119.914 -0.107 0.000 3.295 317 V HA 0.603 4.722 4.120 -0.001 0.000 0.308 317 V C -0.294 175.873 176.094 0.122 0.000 1.068 317 V CA -1.149 61.129 62.300 -0.037 0.000 1.062 317 V CB 0.577 32.428 31.823 0.048 0.000 1.162 317 V HN 0.546 nan 8.190 nan 0.000 0.456 318 Y N -0.801 119.684 120.300 0.308 0.000 2.545 318 Y HA 0.561 5.109 4.550 -0.004 0.000 0.324 318 Y C -0.255 175.822 175.900 0.294 0.000 1.220 318 Y CA -1.136 57.159 58.100 0.325 0.000 1.290 318 Y CB 0.878 39.482 38.460 0.240 0.000 1.355 318 Y HN 0.700 nan 8.280 nan 0.000 0.516 319 Y N 1.835 122.355 120.300 0.367 0.000 2.341 319 Y HA 0.320 4.871 4.550 0.001 0.000 0.340 319 Y C -0.735 175.243 175.900 0.130 0.000 0.997 319 Y CA -1.652 56.576 58.100 0.213 0.000 1.149 319 Y CB 0.614 39.269 38.460 0.324 0.000 1.171 319 Y HN 0.526 nan 8.280 nan 0.000 0.494 320 D N 8.422 128.640 120.400 -0.303 0.000 2.359 320 D HA 0.313 4.952 4.640 -0.001 0.000 0.230 320 D C -2.240 173.593 176.300 -0.779 0.000 1.118 320 D CA -2.689 51.078 54.000 -0.390 0.000 0.844 320 D CB 2.037 42.736 40.800 -0.169 0.000 1.059 320 D HN 0.347 nan 8.370 nan 0.000 0.493 321 P HA -0.065 nan 4.420 nan 0.000 0.223 321 P C 0.765 177.893 177.300 -0.286 0.000 1.151 321 P CA 0.779 63.441 63.100 -0.729 0.000 0.787 321 P CB 0.158 31.665 31.700 -0.322 0.000 0.788 322 S N -2.283 113.287 115.700 -0.218 0.000 2.660 322 S HA 0.193 4.662 4.470 -0.001 0.000 0.227 322 S C 0.516 175.062 174.600 -0.090 0.000 0.948 322 S CA -0.229 57.905 58.200 -0.110 0.000 0.948 322 S CB -0.578 62.570 63.200 -0.087 0.000 0.779 322 S HN 0.021 nan 8.310 nan 0.000 0.487 323 K N 1.284 121.621 120.400 -0.106 0.000 2.375 323 K HA 0.373 4.693 4.320 -0.001 0.000 0.249 323 K C -1.389 175.183 176.600 -0.047 0.000 0.942 323 K CA -0.862 55.383 56.287 -0.070 0.000 0.806 323 K CB 1.172 33.628 32.500 -0.073 0.000 1.227 323 K HN 0.111 nan 8.250 nan 0.000 0.430 324 D N 1.750 122.119 120.400 -0.052 0.000 2.423 324 D HA 0.009 4.649 4.640 -0.001 0.000 0.238 324 D C 0.037 176.260 176.300 -0.129 0.000 1.142 324 D CA 0.057 54.013 54.000 -0.073 0.000 0.884 324 D CB 0.604 41.358 40.800 -0.077 0.000 1.199 324 D HN 0.048 nan 8.370 nan 0.000 0.438 325 L N 2.225 123.324 121.223 -0.206 0.000 2.349 325 L HA 0.272 4.612 4.340 -0.001 0.000 0.275 325 L C 0.256 176.900 176.870 -0.377 0.000 1.115 325 L CA -0.345 54.276 54.840 -0.365 0.000 0.820 325 L CB 0.531 42.277 42.059 -0.522 0.000 1.135 325 L HN 0.245 nan 8.230 nan 0.000 0.445 326 I N 2.537 122.819 120.570 -0.479 0.000 2.406 326 I HA 0.523 4.693 4.170 -0.001 0.000 0.290 326 I C 0.141 175.828 176.117 -0.717 0.000 0.999 326 I CA -0.382 60.556 61.300 -0.604 0.000 1.124 326 I CB 1.758 39.325 38.000 -0.722 0.000 1.289 326 I HN 0.645 nan 8.210 nan 0.000 0.441 327 A N 6.025 128.460 122.820 -0.642 0.000 2.273 327 A HA 0.723 5.042 4.320 -0.001 0.000 0.315 327 A C -0.404 177.008 177.584 -0.286 0.000 1.256 327 A CA -0.526 51.187 52.037 -0.539 0.000 0.851 327 A CB 0.386 18.834 19.000 -0.921 0.000 1.172 327 A HN 0.677 nan 8.150 nan 0.000 0.508 328 E N 1.922 122.052 120.200 -0.116 0.000 2.166 328 E HA 0.565 4.915 4.350 -0.001 0.000 0.275 328 E C -0.998 175.680 176.600 0.129 0.000 0.941 328 E CA -0.323 56.096 56.400 0.031 0.000 0.784 328 E CB 1.876 31.626 29.700 0.084 0.000 1.115 328 E HN 0.653 nan 8.360 nan 0.000 0.399 329 I N 2.594 123.244 120.570 0.134 0.000 2.474 329 I HA 0.276 4.446 4.170 -0.001 0.000 0.294 329 I C -0.641 175.590 176.117 0.190 0.000 1.005 329 I CA -0.945 60.468 61.300 0.189 0.000 1.113 329 I CB 1.746 39.813 38.000 0.112 0.000 1.289 329 I HN 0.353 nan 8.210 nan 0.000 0.436 330 Q N 4.210 124.150 119.800 0.233 0.000 2.353 330 Q HA 0.384 4.723 4.340 -0.001 0.000 0.268 330 Q C -0.715 175.410 176.000 0.209 0.000 1.045 330 Q CA -0.851 55.062 55.803 0.183 0.000 0.811 330 Q CB 2.523 31.309 28.738 0.079 0.000 1.305 330 Q HN 0.362 nan 8.270 nan 0.000 0.447 331 K N 1.324 121.772 120.400 0.079 0.000 2.379 331 K HA 0.005 4.325 4.320 -0.001 0.000 0.284 331 K C 0.122 176.575 176.600 -0.246 0.000 1.044 331 K CA 0.387 56.457 56.287 -0.362 0.000 0.974 331 K CB 0.575 32.826 32.500 -0.416 0.000 0.962 331 K HN 0.710 nan 8.250 nan 0.000 0.474 332 Q N 2.352 121.965 119.800 -0.311 0.000 2.185 332 Q HA 0.238 4.577 4.340 -0.001 0.000 0.234 332 Q C -0.170 175.724 176.000 -0.178 0.000 0.819 332 Q CA 0.158 55.859 55.803 -0.170 0.000 0.961 332 Q CB 1.070 29.747 28.738 -0.102 0.000 1.140 332 Q HN 0.888 nan 8.270 nan 0.000 0.492 333 G N -0.413 108.232 108.800 -0.259 0.000 2.317 333 G HA2 0.066 4.026 3.960 -0.001 0.000 0.293 333 G HA3 0.066 4.026 3.960 -0.001 0.000 0.293 333 G C -1.812 172.937 174.900 -0.252 0.000 1.287 333 G CA -0.865 44.115 45.100 -0.200 0.000 0.850 333 G HN -0.071 nan 8.290 nan 0.000 0.515 334 Q N 0.506 120.208 119.800 -0.162 0.000 2.337 334 Q HA 0.467 4.807 4.340 -0.001 0.000 0.255 334 Q C 1.163 177.098 176.000 -0.109 0.000 0.997 334 Q CA 0.915 56.641 55.803 -0.129 0.000 0.925 334 Q CB 0.734 29.432 28.738 -0.067 0.000 1.212 334 Q HN 2.101 nan 8.270 nan 0.000 0.436 335 G N 3.416 112.151 108.800 -0.109 0.000 2.184 335 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.264 335 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.264 335 G C 0.108 174.988 174.900 -0.033 0.000 0.975 335 G CA 0.160 45.283 45.100 0.038 0.000 0.642 335 G HN 0.545 nan 8.290 nan 0.000 0.536 336 Q N -0.938 118.669 119.800 -0.321 0.000 2.307 336 Q HA 0.582 4.922 4.340 -0.001 0.000 0.262 336 Q C -0.888 174.801 176.000 -0.520 0.000 0.961 336 Q CA -0.635 55.021 55.803 -0.244 0.000 0.882 336 Q CB 1.098 29.743 28.738 -0.156 0.000 1.264 336 Q HN 0.407 nan 8.270 nan 0.000 0.446 337 W N 0.847 122.244 121.300 0.163 0.000 2.819 337 W HA 0.501 5.160 4.660 -0.001 0.000 0.337 337 W C -0.045 176.585 176.519 0.186 0.000 1.077 337 W CA -0.623 56.823 57.345 0.168 0.000 1.226 337 W CB 2.123 31.705 29.460 0.204 0.000 1.419 337 W HN 0.335 nan 8.180 nan 0.000 0.502 338 T N 1.949 116.717 114.554 0.358 0.000 2.924 338 T HA 0.743 5.092 4.350 -0.001 0.000 0.291 338 T C -1.594 173.299 174.700 0.322 0.000 1.045 338 T CA -0.440 61.804 62.100 0.240 0.000 1.015 338 T CB 0.887 69.808 68.868 0.089 0.000 1.103 338 T HN 0.337 nan 8.240 nan 0.000 0.496 339 Y N 0.527 120.899 120.300 0.120 0.000 2.571 339 Y HA 0.811 5.360 4.550 -0.001 0.000 0.341 339 Y C -1.389 174.551 175.900 0.067 0.000 1.076 339 Y CA -1.326 56.827 58.100 0.088 0.000 1.029 339 Y CB 1.055 39.565 38.460 0.084 0.000 1.308 339 Y HN 0.454 nan 8.280 nan 0.000 0.461 340 Q N 2.500 122.391 119.800 0.151 0.000 2.413 340 Q HA 0.733 5.073 4.340 -0.001 0.000 0.276 340 Q C -1.357 174.706 176.000 0.105 0.000 1.099 340 Q CA -0.713 55.145 55.803 0.093 0.000 0.814 340 Q CB 3.204 32.020 28.738 0.129 0.000 1.379 340 Q HN 0.752 nan 8.270 nan 0.000 0.436 341 I N 2.816 123.440 120.570 0.090 0.000 2.418 341 I HA 0.535 4.704 4.170 -0.001 0.000 0.287 341 I C -1.209 174.897 176.117 -0.019 0.000 1.008 341 I CA -1.063 60.206 61.300 -0.052 0.000 1.104 341 I CB 0.804 38.829 38.000 0.042 0.000 1.264 341 I HN 0.676 nan 8.210 nan 0.000 0.438 342 Y N 3.624 123.868 120.300 -0.093 0.000 2.677 342 Y HA 0.520 5.070 4.550 -0.000 0.000 0.334 342 Y C -0.203 175.612 175.900 -0.142 0.000 1.154 342 Y CA -1.020 57.026 58.100 -0.089 0.000 1.070 342 Y CB 1.179 39.617 38.460 -0.037 0.000 1.294 342 Y HN 0.461 nan 8.280 nan 0.000 0.475 343 Q N -0.466 119.482 119.800 0.247 0.000 2.342 343 Q HA 0.210 4.549 4.340 -0.001 0.000 0.261 343 Q C -0.793 175.262 176.000 0.091 0.000 0.841 343 Q CA 0.169 56.037 55.803 0.108 0.000 0.969 343 Q CB 1.457 30.201 28.738 0.011 0.000 1.136 343 Q HN 0.704 nan 8.270 nan 0.000 0.528 344 E N 1.518 121.727 120.200 0.014 0.000 2.241 344 E HA 0.289 4.638 4.350 -0.001 0.000 0.263 344 E C -2.753 173.569 176.600 -0.464 0.000 0.882 344 E CA -2.507 53.794 56.400 -0.164 0.000 0.769 344 E CB 1.798 31.418 29.700 -0.133 0.000 1.185 344 E HN -0.158 nan 8.360 nan 0.000 0.415 345 P HA 0.143 nan 4.420 nan 0.000 0.271 345 P C -0.704 176.018 177.300 -0.964 0.000 1.216 345 P CA 0.082 62.232 63.100 -1.584 0.000 0.771 345 P CB 0.291 30.744 31.700 -2.078 0.000 0.864 346 F N 1.707 121.418 119.950 -0.399 0.000 2.798 346 F HA 0.221 4.748 4.527 -0.000 0.000 0.333 346 F C 0.889 176.515 175.800 -0.290 0.000 1.324 346 F CA -0.653 57.038 58.000 -0.515 0.000 1.183 346 F CB 0.274 39.066 39.000 -0.346 0.000 1.132 346 F HN 0.065 nan 8.300 nan 0.000 0.521 347 K N 0.262 120.572 120.400 -0.150 0.000 2.220 347 K HA 0.261 4.581 4.320 -0.001 0.000 0.283 347 K C -0.508 176.095 176.600 0.004 0.000 1.098 347 K CA -0.465 55.777 56.287 -0.075 0.000 0.928 347 K CB 0.105 32.561 32.500 -0.074 0.000 1.214 347 K HN 0.030 nan 8.250 nan 0.000 0.442 348 N N 2.911 121.624 118.700 0.021 0.000 2.513 348 N HA 0.024 4.763 4.740 -0.001 0.000 0.268 348 N C 0.728 176.301 175.510 0.105 0.000 1.180 348 N CA -0.249 52.861 53.050 0.099 0.000 0.948 348 N CB 0.819 39.335 38.487 0.049 0.000 1.083 348 N HN 0.449 nan 8.380 nan 0.000 0.455 349 L N 1.341 122.681 121.223 0.194 0.000 2.179 349 L HA 0.113 4.452 4.340 -0.001 0.000 0.208 349 L C 0.966 178.146 176.870 0.515 0.000 1.096 349 L CA 1.313 56.366 54.840 0.356 0.000 0.779 349 L CB -0.268 41.992 42.059 0.335 0.000 0.922 349 L HN 0.585 nan 8.230 nan 0.000 0.443 350 K N -1.452 119.157 120.400 0.349 0.000 2.610 350 K HA 0.380 4.700 4.320 -0.001 0.000 0.278 350 K C -1.134 175.547 176.600 0.135 0.000 0.964 350 K CA -0.284 56.209 56.287 0.344 0.000 0.859 350 K CB 1.409 34.097 32.500 0.313 0.000 1.434 350 K HN -0.056 nan 8.250 nan 0.000 0.410 351 T N -0.928 113.641 114.554 0.024 0.000 2.926 351 T HA 0.920 5.269 4.350 -0.001 0.000 0.289 351 T C 0.025 174.471 174.700 -0.423 0.000 1.054 351 T CA -0.414 61.568 62.100 -0.197 0.000 1.015 351 T CB 1.940 70.719 68.868 -0.148 0.000 1.167 351 T HN 0.708 nan 8.240 nan 0.000 0.526 352 G N -0.000 108.219 108.800 -0.968 0.000 2.645 352 G HA2 0.699 4.658 3.960 -0.001 0.000 0.292 352 G HA3 0.699 4.658 3.960 -0.001 0.000 0.292 352 G C -1.799 172.779 174.900 -0.536 0.000 1.415 352 G CA -1.134 43.425 45.100 -0.901 0.000 0.785 352 G HN 1.025 nan 8.290 nan 0.000 0.483 353 K N -1.682 118.719 120.400 0.001 0.000 2.466 353 K HA 0.786 5.106 4.320 -0.001 0.000 0.260 353 K C -2.127 174.731 176.600 0.431 0.000 1.011 353 K CA -1.153 55.273 56.287 0.233 0.000 0.871 353 K CB 2.687 35.259 32.500 0.120 0.000 1.404 353 K HN 0.732 nan 8.250 nan 0.000 0.450 354 Y N -0.233 120.246 120.300 0.298 0.000 2.401 354 Y HA 0.554 5.103 4.550 -0.001 0.000 0.330 354 Y C -1.428 174.645 175.900 0.288 0.000 1.071 354 Y CA -0.266 57.989 58.100 0.258 0.000 1.049 354 Y CB 2.366 40.956 38.460 0.217 0.000 1.239 354 Y HN 0.851 nan 8.280 nan 0.000 0.437 355 A N 5.622 128.242 122.820 -0.333 0.000 2.596 355 A HA 0.290 4.610 4.320 -0.001 0.000 0.276 355 A C -0.096 177.297 177.584 -0.317 0.000 0.962 355 A CA -0.522 51.423 52.037 -0.154 0.000 1.010 355 A CB 0.132 19.107 19.000 -0.041 0.000 1.220 355 A HN 0.674 nan 8.150 nan 0.000 0.549 356 R N 1.850 121.894 120.500 -0.760 0.000 2.489 356 R HA 0.296 4.636 4.340 -0.001 0.000 0.287 356 R C 0.210 176.421 176.300 -0.148 0.000 1.053 356 R CA -0.052 55.800 56.100 -0.413 0.000 1.036 356 R CB 0.308 30.358 30.300 -0.417 0.000 0.966 356 R HN 0.481 nan 8.270 nan 0.000 0.432 357 M N 3.749 123.326 119.600 -0.038 0.000 2.233 357 M HA 0.359 4.839 4.480 -0.001 0.000 0.355 357 M C -0.913 175.406 176.300 0.032 0.000 1.191 357 M CA -0.016 55.304 55.300 0.035 0.000 1.101 357 M CB 1.259 33.873 32.600 0.024 0.000 1.592 357 M HN 0.449 nan 8.290 nan 0.000 0.461 358 R N 2.185 122.720 120.500 0.058 0.000 2.246 358 R HA 0.668 5.008 4.340 -0.001 0.000 0.332 358 R C 0.350 176.672 176.300 0.037 0.000 0.974 358 R CA 0.168 56.298 56.100 0.049 0.000 0.837 358 R CB 1.067 31.407 30.300 0.067 0.000 1.145 358 R HN 1.133 nan 8.270 nan 0.000 0.467 359 G N 1.427 110.235 108.800 0.015 0.000 2.796 359 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.571 359 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.571 359 G C 0.423 175.260 174.900 -0.105 0.000 1.370 359 G CA -0.306 44.783 45.100 -0.020 0.000 0.856 359 G HN 0.591 nan 8.290 nan 0.000 0.538 360 A N -0.615 122.031 122.820 -0.290 0.000 1.975 360 A HA 0.359 4.678 4.320 -0.001 0.000 0.215 360 A C 1.001 178.291 177.584 -0.491 0.000 1.170 360 A CA 1.944 53.694 52.037 -0.479 0.000 0.656 360 A CB -0.243 18.316 19.000 -0.735 0.000 0.821 360 A HN 1.138 nan 8.150 nan 0.000 0.449 361 H N -0.264 118.852 119.070 0.078 0.000 2.589 361 H HA 0.570 5.125 4.556 -0.001 0.000 0.351 361 H C -0.666 174.711 175.328 0.082 0.000 1.074 361 H CA 0.126 56.222 56.048 0.079 0.000 1.203 361 H CB 1.243 31.054 29.762 0.083 0.000 1.558 361 H HN 0.269 nan 8.280 nan 0.000 0.522 362 T N 0.209 114.859 114.554 0.161 0.000 2.754 362 T HA 0.420 4.770 4.350 -0.001 0.000 0.296 362 T C -0.434 174.287 174.700 0.035 0.000 1.205 362 T CA -1.177 60.970 62.100 0.078 0.000 1.009 362 T CB 1.803 70.691 68.868 0.035 0.000 1.368 362 T HN 0.664 nan 8.240 nan 0.000 0.509 363 N N -1.059 117.580 118.700 -0.102 0.000 2.469 363 N HA 0.434 5.173 4.740 -0.001 0.000 0.286 363 N C 0.018 175.432 175.510 -0.159 0.000 1.275 363 N CA -0.921 52.052 53.050 -0.127 0.000 0.790 363 N CB 0.441 38.769 38.487 -0.265 0.000 1.446 363 N HN 0.468 nan 8.380 nan 0.000 0.501 364 D N -0.186 120.184 120.400 -0.051 0.000 2.149 364 D HA -0.148 4.491 4.640 -0.001 0.000 0.194 364 D C 1.670 177.856 176.300 -0.190 0.000 1.001 364 D CA 1.341 55.379 54.000 0.064 0.000 0.849 364 D CB -0.192 40.691 40.800 0.139 0.000 0.939 364 D HN 0.375 nan 8.370 nan 0.000 0.449 365 V N 1.442 121.081 119.914 -0.458 0.000 2.343 365 V HA -0.228 3.891 4.120 -0.001 0.000 0.247 365 V C 2.435 178.097 176.094 -0.721 0.000 1.051 365 V CA 1.452 63.354 62.300 -0.665 0.000 1.036 365 V CB -0.379 30.769 31.823 -1.125 0.000 0.654 365 V HN 0.169 nan 8.190 nan 0.000 0.451 366 K N -0.033 119.887 120.400 -0.800 0.000 2.032 366 K HA -0.217 4.102 4.320 -0.001 0.000 0.209 366 K C 2.279 178.663 176.600 -0.359 0.000 1.048 366 K CA 1.710 57.686 56.287 -0.519 0.000 0.927 366 K CB -0.315 31.951 32.500 -0.389 0.000 0.712 366 K HN 0.549 nan 8.250 nan 0.000 0.441 367 Q N 0.452 120.072 119.800 -0.300 0.000 2.119 367 Q HA -0.137 4.202 4.340 -0.001 0.000 0.201 367 Q C 2.197 177.725 176.000 -0.787 0.000 0.972 367 Q CA 0.915 56.543 55.803 -0.292 0.000 0.847 367 Q CB -0.120 28.669 28.738 0.087 0.000 0.903 367 Q HN 0.154 nan 8.270 nan 0.000 0.433 368 L N 0.307 120.997 121.223 -0.889 0.000 2.093 368 L HA -0.116 4.224 4.340 -0.001 0.000 0.208 368 L C 2.041 178.426 176.870 -0.808 0.000 1.085 368 L CA 1.833 55.993 54.840 -1.133 0.000 0.755 368 L CB -0.653 40.919 42.059 -0.813 0.000 0.904 368 L HN 0.052 nan 8.230 nan 0.000 0.435 369 T N -0.311 113.904 114.554 -0.565 0.000 2.788 369 T HA -0.165 4.185 4.350 -0.001 0.000 0.268 369 T C 1.606 176.031 174.700 -0.458 0.000 1.044 369 T CA 1.786 63.629 62.100 -0.428 0.000 1.139 369 T CB -0.261 68.491 68.868 -0.193 0.000 0.867 369 T HN 0.505 nan 8.240 nan 0.000 0.454 370 E N 1.072 120.988 120.200 -0.474 0.000 2.268 370 E HA 0.063 4.413 4.350 -0.001 0.000 0.195 370 E C 2.370 178.573 176.600 -0.661 0.000 0.995 370 E CA 0.724 56.875 56.400 -0.415 0.000 0.836 370 E CB -0.127 29.430 29.700 -0.239 0.000 0.763 370 E HN 0.487 nan 8.360 nan 0.000 0.491 371 A N 0.798 123.010 122.820 -1.012 0.000 1.930 371 A HA -0.047 4.273 4.320 -0.001 0.000 0.215 371 A C 2.428 179.632 177.584 -0.634 0.000 1.176 371 A CA 0.465 51.883 52.037 -1.032 0.000 0.632 371 A CB -0.390 17.920 19.000 -1.150 0.000 0.819 371 A HN 0.104 nan 8.150 nan 0.000 0.445 372 V N 0.341 119.858 119.914 -0.662 0.000 2.332 372 V HA -0.290 3.830 4.120 -0.001 0.000 0.248 372 V C 2.784 178.603 176.094 -0.459 0.000 1.055 372 V CA 2.163 64.034 62.300 -0.715 0.000 1.038 372 V CB -0.647 30.574 31.823 -1.004 0.000 0.651 372 V HN 0.542 nan 8.190 nan 0.000 0.450 373 Q N -0.337 119.242 119.800 -0.368 0.000 2.046 373 Q HA -0.159 4.181 4.340 -0.001 0.000 0.200 373 Q C 2.355 178.270 176.000 -0.141 0.000 0.975 373 Q CA 1.317 56.995 55.803 -0.208 0.000 0.836 373 Q CB -0.438 28.205 28.738 -0.158 0.000 0.896 373 Q HN 0.544 nan 8.270 nan 0.000 0.428 374 K N 0.551 120.850 120.400 -0.168 0.000 2.034 374 K HA -0.149 4.171 4.320 -0.001 0.000 0.214 374 K C 2.231 178.766 176.600 -0.109 0.000 1.051 374 K CA 1.248 57.478 56.287 -0.095 0.000 0.931 374 K CB -0.356 32.109 32.500 -0.059 0.000 0.715 374 K HN 0.191 nan 8.250 nan 0.000 0.446 375 I N 0.605 121.059 120.570 -0.194 0.000 2.286 375 I HA -0.252 3.918 4.170 -0.001 0.000 0.248 375 I C 2.247 178.372 176.117 0.014 0.000 1.115 375 I CA 1.188 62.381 61.300 -0.179 0.000 1.392 375 I CB -0.310 37.545 38.000 -0.243 0.000 1.065 375 I HN 0.200 nan 8.210 nan 0.000 0.418 376 T N -0.135 114.465 114.554 0.078 0.000 2.674 376 T HA -0.169 4.180 4.350 -0.001 0.000 0.265 376 T C 1.934 176.662 174.700 0.047 0.000 1.039 376 T CA 2.079 64.246 62.100 0.113 0.000 1.150 376 T CB -0.431 68.483 68.868 0.078 0.000 0.864 376 T HN 0.343 nan 8.240 nan 0.000 0.427 377 T N 1.717 116.276 114.554 0.009 0.000 2.635 377 T HA -0.175 4.175 4.350 -0.001 0.000 0.267 377 T C 1.927 176.615 174.700 -0.021 0.000 1.040 377 T CA 1.749 63.849 62.100 -0.000 0.000 1.156 377 T CB -0.419 68.446 68.868 -0.005 0.000 0.863 377 T HN 0.598 nan 8.240 nan 0.000 0.430 378 E N 0.602 120.781 120.200 -0.035 0.000 2.097 378 E HA -0.187 4.163 4.350 -0.001 0.000 0.196 378 E C 2.344 178.858 176.600 -0.144 0.000 1.000 378 E CA 1.504 57.853 56.400 -0.085 0.000 0.804 378 E CB -0.209 29.457 29.700 -0.056 0.000 0.740 378 E HN 0.315 nan 8.360 nan 0.000 0.454 379 S N 0.036 115.728 115.700 -0.013 0.000 2.368 379 S HA -0.122 4.348 4.470 -0.001 0.000 0.225 379 S C 1.842 176.461 174.600 0.032 0.000 1.030 379 S CA 1.091 59.365 58.200 0.123 0.000 0.999 379 S CB -0.151 63.182 63.200 0.223 0.000 0.844 379 S HN 0.324 nan 8.310 nan 0.000 0.459 380 I N 1.210 121.787 120.570 0.013 0.000 2.226 380 I HA -0.099 4.071 4.170 -0.001 0.000 0.245 380 I C 2.275 178.360 176.117 -0.055 0.000 1.100 380 I CA 1.053 62.358 61.300 0.009 0.000 1.374 380 I CB -1.569 36.442 38.000 0.018 0.000 1.057 380 I HN 0.164 nan 8.210 nan 0.000 0.413 381 V N 1.350 121.201 119.914 -0.106 0.000 2.261 381 V HA -0.245 3.874 4.120 -0.001 0.000 0.246 381 V C 2.480 178.424 176.094 -0.250 0.000 1.047 381 V CA 1.786 64.003 62.300 -0.138 0.000 1.015 381 V CB -0.323 31.421 31.823 -0.132 0.000 0.642 381 V HN 0.265 nan 8.190 nan 0.000 0.446 382 I N -1.725 118.561 120.570 -0.474 0.000 2.353 382 I HA -0.169 4.000 4.170 -0.001 0.000 0.248 382 I C 1.964 177.553 176.117 -0.881 0.000 1.119 382 I CA 1.485 62.283 61.300 -0.837 0.000 1.417 382 I CB -0.196 36.892 38.000 -1.520 0.000 1.078 382 I HN 0.429 nan 8.210 nan 0.000 0.421 383 W N 0.042 121.202 121.300 -0.234 0.000 2.725 383 W HA 0.376 5.035 4.660 -0.001 0.000 0.336 383 W C 1.307 177.741 176.519 -0.142 0.000 1.012 383 W CA 0.467 57.606 57.345 -0.343 0.000 1.566 383 W CB -0.233 28.858 29.460 -0.615 0.000 1.068 383 W HN 0.244 nan 8.180 nan 0.000 0.546 384 G N 2.520 111.357 108.800 0.061 0.000 2.221 384 G HA2 -0.314 3.646 3.960 -0.001 0.000 0.265 384 G HA3 -0.314 3.646 3.960 -0.001 0.000 0.265 384 G C -0.020 174.942 174.900 0.102 0.000 1.041 384 G CA 1.004 46.148 45.100 0.073 0.000 0.807 384 G HN 0.225 nan 8.290 nan 0.000 0.502 385 K N -0.289 120.183 120.400 0.121 0.000 2.569 385 K HA 0.489 4.808 4.320 -0.001 0.000 0.259 385 K C 0.288 176.947 176.600 0.099 0.000 0.932 385 K CA -0.150 56.202 56.287 0.109 0.000 0.833 385 K CB 1.059 33.634 32.500 0.125 0.000 1.340 385 K HN 0.379 nan 8.250 nan 0.000 0.429 386 T N 0.994 115.592 114.554 0.072 0.000 2.910 386 T HA 0.531 4.881 4.350 -0.001 0.000 0.293 386 T C -2.248 172.439 174.700 -0.022 0.000 1.015 386 T CA -1.285 60.852 62.100 0.062 0.000 1.094 386 T CB 0.951 69.880 68.868 0.101 0.000 0.968 386 T HN 0.249 nan 8.240 nan 0.000 0.521 387 P HA 0.378 nan 4.420 nan 0.000 0.278 387 P C -0.877 176.237 177.300 -0.310 0.000 1.266 387 P CA -0.948 61.949 63.100 -0.338 0.000 0.807 387 P CB 0.595 31.933 31.700 -0.603 0.000 1.094 388 K N 0.974 121.196 120.400 -0.295 0.000 2.258 388 K HA 0.381 4.701 4.320 -0.001 0.000 0.284 388 K C -0.450 175.983 176.600 -0.278 0.000 1.051 388 K CA -0.183 56.004 56.287 -0.168 0.000 0.923 388 K CB 0.257 32.687 32.500 -0.117 0.000 1.046 388 K HN 0.332 nan 8.250 nan 0.000 0.474 389 F N 1.991 121.893 119.950 -0.080 0.000 2.397 389 F HA 0.282 4.810 4.527 0.001 0.000 0.331 389 F C 0.619 176.416 175.800 -0.005 0.000 1.090 389 F CA -0.490 57.462 58.000 -0.080 0.000 1.065 389 F CB 1.222 40.146 39.000 -0.127 0.000 1.184 389 F HN 0.145 nan 8.300 nan 0.000 0.499 390 K N 5.089 125.575 120.400 0.143 0.000 2.450 390 K HA 0.596 4.916 4.320 -0.001 0.000 0.257 390 K C -1.391 175.266 176.600 0.096 0.000 0.953 390 K CA -0.507 55.853 56.287 0.123 0.000 0.844 390 K CB 1.907 34.437 32.500 0.051 0.000 1.103 390 K HN 0.511 nan 8.250 nan 0.000 0.429 391 L N 3.658 124.946 121.223 0.108 0.000 2.362 391 L HA 0.435 4.774 4.340 -0.001 0.000 0.271 391 L C -2.055 174.832 176.870 0.028 0.000 1.002 391 L CA -2.329 52.504 54.840 -0.013 0.000 0.818 391 L CB 2.076 43.964 42.059 -0.286 0.000 1.298 391 L HN 0.375 nan 8.230 nan 0.000 0.420 392 P HA 0.158 nan 4.420 nan 0.000 0.238 392 P C -0.561 176.888 177.300 0.249 0.000 1.714 392 P CA 0.524 63.673 63.100 0.081 0.000 0.908 392 P CB 0.105 31.864 31.700 0.097 0.000 1.893 393 I N -0.590 120.210 120.570 0.385 0.000 2.656 393 I HA 0.249 4.419 4.170 -0.001 0.000 0.292 393 I C -0.538 175.908 176.117 0.548 0.000 1.144 393 I CA -0.924 60.584 61.300 0.345 0.000 1.038 393 I CB 2.567 40.603 38.000 0.059 0.000 1.244 393 I HN -0.217 nan 8.210 nan 0.000 0.420 394 Q N 5.087 125.011 119.800 0.207 0.000 2.340 394 Q HA 0.200 4.540 4.340 -0.001 0.000 0.249 394 Q C 0.652 176.825 176.000 0.288 0.000 0.957 394 Q CA -0.173 55.613 55.803 -0.028 0.000 0.882 394 Q CB 1.445 30.033 28.738 -0.249 0.000 1.235 394 Q HN 0.542 nan 8.270 nan 0.000 0.439 395 K N 1.899 122.426 120.400 0.211 0.000 2.152 395 K HA -0.197 4.122 4.320 -0.001 0.000 0.206 395 K C 1.549 178.333 176.600 0.306 0.000 1.048 395 K CA 1.218 57.671 56.287 0.277 0.000 0.933 395 K CB 0.205 32.695 32.500 -0.017 0.000 0.721 395 K HN 0.634 nan 8.250 nan 0.000 0.447 396 E N 0.076 120.371 120.200 0.159 0.000 2.047 396 E HA -0.111 4.238 4.350 -0.001 0.000 0.191 396 E C 1.619 178.315 176.600 0.159 0.000 0.987 396 E CA 1.431 57.909 56.400 0.130 0.000 0.799 396 E CB 0.168 29.892 29.700 0.040 0.000 0.752 396 E HN 0.198 nan 8.360 nan 0.000 0.449 397 T N -0.227 114.413 114.554 0.143 0.000 2.759 397 T HA -0.204 4.146 4.350 -0.001 0.000 0.269 397 T C 1.118 175.950 174.700 0.220 0.000 1.042 397 T CA 1.447 63.618 62.100 0.119 0.000 1.140 397 T CB -0.385 68.521 68.868 0.065 0.000 0.864 397 T HN 0.432 nan 8.240 nan 0.000 0.455 398 W N 1.588 122.992 121.300 0.174 0.000 2.576 398 W HA 0.139 4.799 4.660 0.000 0.000 0.270 398 W C 2.299 179.049 176.519 0.385 0.000 1.255 398 W CA 0.451 57.936 57.345 0.233 0.000 1.314 398 W CB 0.104 29.672 29.460 0.179 0.000 1.101 398 W HN 0.266 nan 8.180 nan 0.000 0.595 399 E N -0.710 119.850 120.200 0.600 0.000 2.106 399 E HA -0.181 4.169 4.350 -0.001 0.000 0.192 399 E C 1.731 178.394 176.600 0.105 0.000 0.984 399 E CA 1.788 58.517 56.400 0.550 0.000 0.806 399 E CB -0.140 29.830 29.700 0.451 0.000 0.750 399 E HN 0.100 nan 8.360 nan 0.000 0.458 400 T N 0.925 115.513 114.554 0.056 0.000 2.770 400 T HA -0.155 4.195 4.350 -0.001 0.000 0.263 400 T C 1.238 175.855 174.700 -0.137 0.000 1.039 400 T CA 1.107 63.165 62.100 -0.071 0.000 1.142 400 T CB -0.490 68.371 68.868 -0.013 0.000 0.868 400 T HN 0.456 nan 8.240 nan 0.000 0.435 401 W N 0.859 122.019 121.300 -0.233 0.000 2.338 401 W HA -0.198 4.462 4.660 -0.001 0.000 0.304 401 W C 2.110 178.442 176.519 -0.312 0.000 1.212 401 W CA 1.457 58.617 57.345 -0.308 0.000 1.264 401 W CB -0.539 28.674 29.460 -0.411 0.000 1.142 401 W HN 0.466 nan 8.180 nan 0.000 0.512 402 W N 2.928 123.836 121.300 -0.653 0.000 2.413 402 W HA -0.159 4.501 4.660 -0.000 0.000 0.315 402 W C 2.751 179.023 176.519 -0.412 0.000 1.186 402 W CA 3.692 60.636 57.345 -0.669 0.000 1.326 402 W CB -1.104 27.903 29.460 -0.754 0.000 1.153 402 W HN -0.117 nan 8.180 nan 0.000 0.489 403 T N -0.811 112.802 114.554 -1.569 0.000 2.699 403 T HA -0.344 4.005 4.350 -0.001 0.000 0.268 403 T C 1.676 175.943 174.700 -0.721 0.000 1.036 403 T CA 1.883 63.028 62.100 -1.593 0.000 1.147 403 T CB -0.873 67.223 68.868 -1.286 0.000 0.862 403 T HN 0.526 nan 8.240 nan 0.000 0.446 404 E N 0.001 119.869 120.200 -0.552 0.000 2.299 404 E HA -0.050 4.299 4.350 -0.001 0.000 0.193 404 E C 0.220 176.649 176.600 -0.286 0.000 0.998 404 E CA -0.165 56.030 56.400 -0.343 0.000 0.851 404 E CB -0.120 29.415 29.700 -0.274 0.000 0.795 404 E HN 0.670 nan 8.360 nan 0.000 0.492 405 Y N 1.220 121.134 120.300 -0.643 0.000 2.304 405 Y HA 0.010 4.559 4.550 -0.001 0.000 0.327 405 Y C 0.990 176.654 175.900 -0.394 0.000 1.209 405 Y CA -0.553 57.117 58.100 -0.718 0.000 1.299 405 Y CB 0.446 38.093 38.460 -1.356 0.000 1.249 405 Y HN 0.048 nan 8.280 nan 0.000 0.519 406 W N 2.517 123.288 121.300 -0.882 0.000 3.211 406 W HA 0.245 4.905 4.660 -0.000 0.000 0.292 406 W C -0.625 175.571 176.519 -0.539 0.000 1.268 406 W CA -0.218 56.786 57.345 -0.568 0.000 1.702 406 W CB -0.133 29.067 29.460 -0.434 0.000 1.092 406 W HN 0.384 nan 8.180 nan 0.000 0.643 407 Q N 1.465 120.512 119.800 -1.255 0.000 2.243 407 Q HA 0.466 4.806 4.340 -0.001 0.000 0.252 407 Q C 0.170 176.058 176.000 -0.186 0.000 0.909 407 Q CA -0.151 55.301 55.803 -0.584 0.000 0.922 407 Q CB 2.128 30.524 28.738 -0.571 0.000 1.215 407 Q HN 0.018 nan 8.270 nan 0.000 0.427 408 A N 2.235 125.032 122.820 -0.039 0.000 2.498 408 A HA 0.401 4.720 4.320 -0.001 0.000 0.239 408 A C 0.342 177.986 177.584 0.099 0.000 1.068 408 A CA 0.435 52.506 52.037 0.057 0.000 0.766 408 A CB 0.431 19.458 19.000 0.044 0.000 1.003 408 A HN 0.666 nan 8.150 nan 0.000 0.497 409 T N 1.587 116.224 114.554 0.139 0.000 2.769 409 T HA 0.599 4.948 4.350 -0.001 0.000 0.306 409 T C -2.201 172.663 174.700 0.272 0.000 1.400 409 T CA -0.334 61.876 62.100 0.183 0.000 1.007 409 T CB 1.197 70.191 68.868 0.209 0.000 1.392 409 T HN 1.460 nan 8.240 nan 0.000 0.500 410 W N 5.486 126.821 121.300 0.059 0.000 4.316 410 W HA 0.413 5.073 4.660 -0.001 0.000 0.283 410 W C -2.309 174.182 176.519 -0.046 0.000 1.252 410 W CA -1.056 56.303 57.345 0.023 0.000 1.358 410 W CB 0.228 29.659 29.460 -0.048 0.000 1.144 410 W HN 0.869 nan 8.180 nan 0.000 0.466 411 I N 3.735 123.841 120.570 -0.774 0.000 2.525 411 I HA 0.686 4.856 4.170 -0.001 0.000 0.301 411 I C -2.073 173.313 176.117 -1.218 0.000 0.992 411 I CA -2.668 58.069 61.300 -0.938 0.000 1.162 411 I CB 1.296 38.717 38.000 -0.965 0.000 1.332 411 I HN 0.026 nan 8.210 nan 0.000 0.458 412 P HA -0.052 nan 4.420 nan 0.000 0.272 412 P C -0.437 176.711 177.300 -0.254 0.000 1.248 412 P CA -0.280 62.591 63.100 -0.380 0.000 0.799 412 P CB 0.343 32.016 31.700 -0.044 0.000 0.997 413 E N 1.374 121.510 120.200 -0.106 0.000 2.868 413 E HA -0.079 4.271 4.350 -0.001 0.000 0.246 413 E C -0.764 175.870 176.600 0.058 0.000 0.962 413 E CA 0.420 56.778 56.400 -0.071 0.000 0.955 413 E CB -0.012 29.670 29.700 -0.029 0.000 0.903 413 E HN 0.374 nan 8.360 nan 0.000 0.524 414 W N 3.620 124.795 121.300 -0.209 0.000 3.032 414 W HA 0.578 5.237 4.660 -0.001 0.000 0.341 414 W C -1.247 175.201 176.519 -0.120 0.000 1.202 414 W CA -1.041 56.215 57.345 -0.148 0.000 1.132 414 W CB 0.441 29.749 29.460 -0.253 0.000 1.465 414 W HN 0.527 nan 8.180 nan 0.000 0.576 415 E N 0.899 121.174 120.200 0.126 0.000 2.390 415 E HA 0.456 4.806 4.350 -0.001 0.000 0.277 415 E C -2.030 174.740 176.600 0.284 0.000 0.939 415 E CA -0.818 55.544 56.400 -0.063 0.000 0.769 415 E CB 2.734 32.398 29.700 -0.059 0.000 1.251 415 E HN 0.250 nan 8.360 nan 0.000 0.450 416 F N 2.751 122.753 119.950 0.088 0.000 2.518 416 F HA 0.392 4.919 4.527 -0.000 0.000 0.359 416 F C -0.744 175.139 175.800 0.138 0.000 1.118 416 F CA 0.026 58.155 58.000 0.214 0.000 1.287 416 F CB 1.296 40.379 39.000 0.139 0.000 1.132 416 F HN 0.324 nan 8.300 nan 0.000 0.587 417 V N 6.453 125.896 119.914 -0.784 0.000 2.760 417 V HA 0.364 4.484 4.120 -0.001 0.000 0.309 417 V C -1.152 174.267 176.094 -1.125 0.000 1.077 417 V CA -0.894 60.963 62.300 -0.738 0.000 0.910 417 V CB 1.792 33.469 31.823 -0.243 0.000 1.008 417 V HN 0.846 nan 8.190 nan 0.000 0.424 418 N N 3.883 122.133 118.700 -0.750 0.000 3.034 418 N HA 0.329 5.069 4.740 -0.001 0.000 0.265 418 N C -0.619 174.804 175.510 -0.145 0.000 1.166 418 N CA 0.023 52.837 53.050 -0.393 0.000 1.081 418 N CB 0.241 38.703 38.487 -0.042 0.000 1.378 418 N HN 0.776 nan 8.380 nan 0.000 0.520 419 T N 3.421 117.901 114.554 -0.124 0.000 3.064 419 T HA 0.343 4.692 4.350 -0.001 0.000 0.367 419 T C -2.594 172.108 174.700 0.003 0.000 1.202 419 T CA -1.111 60.961 62.100 -0.048 0.000 1.133 419 T CB 1.560 70.398 68.868 -0.050 0.000 1.074 419 T HN 0.239 nan 8.240 nan 0.000 0.519 420 P HA 0.246 nan 4.420 nan 0.000 0.271 420 P C -2.160 175.153 177.300 0.022 0.000 1.218 420 P CA -1.161 61.966 63.100 0.044 0.000 0.780 420 P CB -0.190 31.541 31.700 0.051 0.000 0.901 421 P HA 0.132 nan 4.420 nan 0.000 0.271 421 P C -0.657 176.700 177.300 0.095 0.000 1.218 421 P CA 0.161 63.300 63.100 0.065 0.000 0.780 421 P CB 0.628 32.360 31.700 0.052 0.000 0.901 422 L N 1.741 123.042 121.223 0.130 0.000 2.375 422 L HA 0.357 4.696 4.340 -0.001 0.000 0.271 422 L C 0.838 177.779 176.870 0.119 0.000 1.107 422 L CA -1.191 53.741 54.840 0.153 0.000 0.806 422 L CB 1.338 43.513 42.059 0.194 0.000 1.146 422 L HN 0.185 nan 8.230 nan 0.000 0.447 423 V N 3.508 123.488 119.914 0.111 0.000 2.530 423 V HA 0.307 4.427 4.120 -0.001 0.000 0.282 423 V C -0.144 175.888 176.094 -0.105 0.000 1.048 423 V CA -0.102 62.220 62.300 0.037 0.000 0.997 423 V CB 0.829 32.695 31.823 0.071 0.000 0.987 423 V HN 0.808 nan 8.190 nan 0.000 0.477 424 K N 5.484 125.694 120.400 -0.318 0.000 2.409 424 K HA 0.629 4.949 4.320 -0.001 0.000 0.252 424 K C -1.481 174.737 176.600 -0.636 0.000 1.036 424 K CA -0.953 55.018 56.287 -0.527 0.000 0.871 424 K CB 2.227 34.199 32.500 -0.880 0.000 1.374 424 K HN 0.565 nan 8.250 nan 0.000 0.459 425 L N 0.883 121.793 121.223 -0.522 0.000 2.307 425 L HA 0.295 4.635 4.340 -0.001 0.000 0.282 425 L C 0.101 176.670 176.870 -0.502 0.000 1.051 425 L CA -0.311 54.261 54.840 -0.447 0.000 0.804 425 L CB 0.781 42.705 42.059 -0.224 0.000 1.197 425 L HN 0.679 nan 8.230 nan 0.000 0.431 426 W N 2.171 123.437 121.300 -0.057 0.000 3.077 426 W HA 0.089 4.748 4.660 -0.001 0.000 0.266 426 W C -0.139 176.490 176.519 0.183 0.000 1.300 426 W CA -0.386 56.997 57.345 0.064 0.000 1.586 426 W CB 0.378 29.907 29.460 0.114 0.000 1.103 426 W HN 0.479 nan 8.180 nan 0.000 0.652 427 Y N -2.444 117.980 120.300 0.207 0.000 2.656 427 Y HA 0.592 5.141 4.550 -0.001 0.000 0.334 427 Y C -1.065 174.896 175.900 0.102 0.000 1.179 427 Y CA -1.974 56.213 58.100 0.145 0.000 1.050 427 Y CB 0.580 39.123 38.460 0.138 0.000 1.308 427 Y HN -0.283 nan 8.280 nan 0.000 0.456 428 Q N 2.212 122.167 119.800 0.258 0.000 2.305 428 Q HA 0.516 4.856 4.340 -0.001 0.000 0.271 428 Q C -1.520 174.613 176.000 0.223 0.000 1.046 428 Q CA -0.909 54.988 55.803 0.158 0.000 0.798 428 Q CB 3.263 32.043 28.738 0.071 0.000 1.286 428 Q HN 0.793 nan 8.270 nan 0.000 0.435 429 L N 2.152 123.504 121.223 0.214 0.000 2.371 429 L HA 0.218 4.558 4.340 -0.001 0.000 0.272 429 L C 0.690 177.650 176.870 0.150 0.000 1.124 429 L CA -0.627 54.322 54.840 0.182 0.000 0.816 429 L CB 0.337 42.491 42.059 0.157 0.000 1.129 429 L HN 0.419 nan 8.230 nan 0.000 0.448 430 E N 2.108 122.411 120.200 0.171 0.000 2.458 430 E HA -0.061 4.289 4.350 -0.001 0.000 0.264 430 E C 0.445 177.181 176.600 0.226 0.000 1.097 430 E CA 0.371 56.875 56.400 0.173 0.000 0.973 430 E CB 0.627 30.437 29.700 0.184 0.000 0.963 430 E HN 0.430 nan 8.360 nan 0.000 0.451 431 K N 0.775 121.254 120.400 0.131 0.000 2.244 431 K HA 0.042 4.362 4.320 -0.001 0.000 0.200 431 K C 0.153 176.811 176.600 0.097 0.000 1.052 431 K CA 0.478 56.840 56.287 0.125 0.000 0.980 431 K CB 0.422 32.948 32.500 0.043 0.000 0.838 431 K HN 0.404 nan 8.250 nan 0.000 0.481 432 E N 1.274 121.417 120.200 -0.095 0.000 2.235 432 E HA 0.283 4.632 4.350 -0.001 0.000 0.265 432 E C -2.609 173.507 176.600 -0.807 0.000 0.940 432 E CA -2.596 53.593 56.400 -0.352 0.000 0.819 432 E CB 0.917 30.498 29.700 -0.199 0.000 1.206 432 E HN -0.056 nan 8.360 nan 0.000 0.409 433 P HA 0.085 nan 4.420 nan 0.000 0.269 433 P C -0.193 176.879 177.300 -0.381 0.000 1.217 433 P CA 0.163 62.652 63.100 -1.018 0.000 0.783 433 P CB 0.453 31.804 31.700 -0.581 0.000 0.898 434 I N 1.239 121.701 120.570 -0.181 0.000 2.307 434 I HA 0.149 4.319 4.170 -0.001 0.000 0.289 434 I C 0.524 176.615 176.117 -0.043 0.000 1.021 434 I CA -1.043 60.212 61.300 -0.075 0.000 1.224 434 I CB 1.103 39.099 38.000 -0.007 0.000 1.376 434 I HN 0.014 nan 8.210 nan 0.000 0.470 435 V N 6.187 126.074 119.914 -0.045 0.000 2.788 435 V HA 0.132 4.252 4.120 -0.001 0.000 0.307 435 V C 1.432 177.523 176.094 -0.005 0.000 1.069 435 V CA 1.353 63.639 62.300 -0.023 0.000 1.173 435 V CB 0.617 32.426 31.823 -0.023 0.000 0.925 435 V HN 1.150 nan 8.190 nan 0.000 0.492 436 G N 3.212 112.014 108.800 0.004 0.000 2.162 436 G HA2 -0.082 3.877 3.960 -0.001 0.000 0.260 436 G HA3 -0.082 3.877 3.960 -0.001 0.000 0.260 436 G C 0.223 175.136 174.900 0.021 0.000 0.976 436 G CA 0.237 45.344 45.100 0.011 0.000 0.655 436 G HN 1.619 nan 8.290 nan 0.000 0.533 437 A N -0.225 122.612 122.820 0.028 0.000 2.330 437 A HA 0.758 5.078 4.320 -0.001 0.000 0.327 437 A C 0.187 177.812 177.584 0.069 0.000 1.155 437 A CA 0.077 52.143 52.037 0.049 0.000 0.803 437 A CB 0.942 19.972 19.000 0.050 0.000 1.208 437 A HN 0.538 nan 8.150 nan 0.000 0.477 438 E N 1.065 121.320 120.200 0.092 0.000 2.452 438 E HA 0.148 4.498 4.350 -0.001 0.000 0.261 438 E C -0.587 176.103 176.600 0.149 0.000 0.987 438 E CA 0.396 56.850 56.400 0.090 0.000 0.926 438 E CB 0.410 30.169 29.700 0.097 0.000 0.934 438 E HN 0.523 nan 8.360 nan 0.000 0.452 439 T N 5.515 120.119 114.554 0.083 0.000 2.738 439 T HA 0.235 4.584 4.350 -0.001 0.000 0.298 439 T C -0.783 173.973 174.700 0.093 0.000 0.962 439 T CA -0.334 61.830 62.100 0.106 0.000 0.972 439 T CB -0.123 68.797 68.868 0.086 0.000 0.928 439 T HN 0.234 nan 8.240 nan 0.000 0.474 440 F N 3.463 123.386 119.950 -0.045 0.000 2.368 440 F HA 0.303 4.830 4.527 -0.001 0.000 0.362 440 F C 0.127 175.921 175.800 -0.011 0.000 1.137 440 F CA -1.260 56.730 58.000 -0.016 0.000 1.161 440 F CB 0.084 38.987 39.000 -0.162 0.000 1.265 440 F HN 0.530 nan 8.300 nan 0.000 0.530 441 Y N 3.553 123.933 120.300 0.133 0.000 2.640 441 Y HA 0.336 4.886 4.550 -0.001 0.000 0.355 441 Y C 0.576 176.571 175.900 0.159 0.000 1.088 441 Y CA -0.861 57.301 58.100 0.103 0.000 1.443 441 Y CB -0.202 38.283 38.460 0.041 0.000 1.224 441 Y HN 0.373 nan 8.280 nan 0.000 0.516 442 V N -0.543 119.525 119.914 0.257 0.000 3.234 442 V HA 0.778 4.897 4.120 -0.001 0.000 0.317 442 V C -0.459 175.737 176.094 0.170 0.000 1.081 442 V CA -0.692 61.765 62.300 0.261 0.000 1.037 442 V CB 2.243 34.196 31.823 0.217 0.000 1.148 442 V HN 0.542 nan 8.190 nan 0.000 0.453 443 D N -0.209 120.283 120.400 0.153 0.000 2.205 443 D HA 0.428 5.067 4.640 -0.001 0.000 0.168 443 D C -0.453 175.905 176.300 0.097 0.000 1.167 443 D CA 0.395 54.459 54.000 0.106 0.000 0.834 443 D CB 1.164 42.014 40.800 0.084 0.000 2.599 443 D HN 1.159 nan 8.370 nan 0.000 0.497 444 G N 0.813 109.669 108.800 0.093 0.000 2.454 444 G HA2 0.934 4.894 3.960 -0.001 0.000 0.329 444 G HA3 0.934 4.894 3.960 -0.001 0.000 0.329 444 G C -1.062 173.878 174.900 0.067 0.000 1.177 444 G CA -0.212 44.937 45.100 0.082 0.000 0.951 444 G HN 0.666 nan 8.290 nan 0.000 0.485 445 A N -0.873 121.980 122.820 0.054 0.000 2.604 445 A HA 0.935 5.254 4.320 -0.001 0.000 0.295 445 A C -0.766 176.838 177.584 0.034 0.000 1.067 445 A CA -0.012 52.052 52.037 0.045 0.000 0.683 445 A CB 1.409 20.436 19.000 0.045 0.000 1.281 445 A HN 2.277 nan 8.150 nan 0.000 0.407 446 A N 0.934 123.770 122.820 0.026 0.000 2.455 446 A HA 0.715 5.035 4.320 -0.001 0.000 0.300 446 A C -0.655 176.938 177.584 0.015 0.000 1.040 446 A CA -0.389 51.659 52.037 0.018 0.000 0.697 446 A CB 1.037 20.044 19.000 0.011 0.000 1.265 446 A HN 1.038 nan 8.150 nan 0.000 0.407 447 N N 1.883 120.591 118.700 0.013 0.000 2.406 447 N HA 0.132 4.872 4.740 -0.001 0.000 0.251 447 N C 0.762 176.276 175.510 0.007 0.000 1.069 447 N CA -0.499 52.557 53.050 0.011 0.000 0.947 447 N CB 0.538 39.032 38.487 0.011 0.000 1.111 447 N HN 0.677 nan 8.380 nan 0.000 0.497 448 R N 2.126 122.628 120.500 0.004 0.000 2.241 448 R HA -0.118 4.221 4.340 -0.001 0.000 0.224 448 R C 0.906 177.207 176.300 0.001 0.000 1.101 448 R CA 1.362 57.462 56.100 0.000 0.000 0.995 448 R CB 0.225 30.523 30.300 -0.003 0.000 0.870 448 R HN 0.734 nan 8.270 nan 0.000 0.463 449 E N -1.289 118.913 120.200 0.003 0.000 2.057 449 E HA -0.026 4.323 4.350 -0.001 0.000 0.190 449 E C 1.700 178.302 176.600 0.004 0.000 0.969 449 E CA 1.190 57.591 56.400 0.003 0.000 0.812 449 E CB 0.079 29.781 29.700 0.003 0.000 0.777 449 E HN 0.123 nan 8.360 nan 0.000 0.455 450 T N 0.939 115.496 114.554 0.005 0.000 2.904 450 T HA -0.060 4.290 4.350 -0.001 0.000 0.267 450 T C 0.463 175.167 174.700 0.006 0.000 1.059 450 T CA 0.590 62.693 62.100 0.006 0.000 1.137 450 T CB -0.087 68.786 68.868 0.007 0.000 0.879 450 T HN 0.112 nan 8.240 nan 0.000 0.467 451 K N 0.145 120.548 120.400 0.006 0.000 3.071 451 K HA -0.173 4.147 4.320 -0.001 0.000 0.265 451 K C -0.680 175.926 176.600 0.010 0.000 1.060 451 K CA 0.023 56.315 56.287 0.007 0.000 0.767 451 K CB -1.819 30.685 32.500 0.006 0.000 1.241 451 K HN 0.255 nan 8.250 nan 0.000 0.486 452 L N 0.471 121.701 121.223 0.011 0.000 2.295 452 L HA 0.586 4.925 4.340 -0.001 0.000 0.285 452 L C 0.518 177.398 176.870 0.015 0.000 1.035 452 L CA 0.208 55.056 54.840 0.013 0.000 0.806 452 L CB 1.702 43.767 42.059 0.011 0.000 1.214 452 L HN 0.200 nan 8.230 nan 0.000 0.426 453 G N 3.370 112.182 108.800 0.019 0.000 2.524 453 G HA2 0.616 4.576 3.960 -0.001 0.000 0.310 453 G HA3 0.616 4.576 3.960 -0.001 0.000 0.310 453 G C -1.448 173.467 174.900 0.025 0.000 1.279 453 G CA -0.658 44.456 45.100 0.024 0.000 0.974 453 G HN 0.474 nan 8.290 nan 0.000 0.484 454 K N 0.591 121.007 120.400 0.026 0.000 2.502 454 K HA 0.633 4.952 4.320 -0.001 0.000 0.254 454 K C -0.419 176.201 176.600 0.034 0.000 0.947 454 K CA -0.511 55.791 56.287 0.024 0.000 0.834 454 K CB 2.393 34.900 32.500 0.013 0.000 1.112 454 K HN 0.618 nan 8.250 nan 0.000 0.427 455 A N 2.049 124.894 122.820 0.042 0.000 2.312 455 A HA 0.930 5.250 4.320 -0.001 0.000 0.328 455 A C -0.053 177.561 177.584 0.050 0.000 1.158 455 A CA -0.328 51.747 52.037 0.063 0.000 0.821 455 A CB 1.389 20.442 19.000 0.088 0.000 1.170 455 A HN 0.810 nan 8.150 nan 0.000 0.490 456 G N -0.806 108.040 108.800 0.077 0.000 2.490 456 G HA2 0.669 4.628 3.960 -0.001 0.000 0.308 456 G HA3 0.669 4.628 3.960 -0.001 0.000 0.308 456 G C -1.423 173.576 174.900 0.166 0.000 1.286 456 G CA 0.199 45.318 45.100 0.033 0.000 0.825 456 G HN 2.034 nan 8.290 nan 0.000 0.479 457 Y N -2.695 117.665 120.300 0.100 0.000 2.662 457 Y HA 0.761 5.311 4.550 -0.001 0.000 0.334 457 Y C -1.338 174.596 175.900 0.058 0.000 1.185 457 Y CA -1.531 56.649 58.100 0.134 0.000 1.074 457 Y CB 0.916 39.547 38.460 0.285 0.000 1.330 457 Y HN 0.745 nan 8.280 nan 0.000 0.458 458 V N 1.555 121.653 119.914 0.308 0.000 2.962 458 V HA 0.849 4.969 4.120 -0.001 0.000 0.313 458 V C -0.178 175.982 176.094 0.110 0.000 1.099 458 V CA -0.203 62.185 62.300 0.147 0.000 0.971 458 V CB 1.942 33.769 31.823 0.007 0.000 1.028 458 V HN 1.188 nan 8.190 nan 0.000 0.430 459 T N -1.296 113.231 114.554 -0.045 0.000 2.905 459 T HA 0.330 4.680 4.350 -0.001 0.000 0.283 459 T C 0.691 175.359 174.700 -0.053 0.000 1.031 459 T CA -0.321 61.687 62.100 -0.155 0.000 1.002 459 T CB 1.573 70.179 68.868 -0.437 0.000 1.200 459 T HN 0.708 nan 8.240 nan 0.000 0.560 460 N N 0.023 118.715 118.700 -0.013 0.000 2.467 460 N HA -0.028 4.711 4.740 -0.001 0.000 0.184 460 N C 0.963 176.456 175.510 -0.029 0.000 1.106 460 N CA 0.069 53.121 53.050 0.004 0.000 0.892 460 N CB -0.211 38.312 38.487 0.060 0.000 0.969 460 N HN 0.620 nan 8.380 nan 0.000 0.454 461 R N -0.457 120.008 120.500 -0.058 0.000 2.507 461 R HA 0.244 4.584 4.340 -0.001 0.000 0.298 461 R C 0.620 176.890 176.300 -0.049 0.000 0.999 461 R CA 0.365 56.435 56.100 -0.049 0.000 1.082 461 R CB 0.352 30.622 30.300 -0.051 0.000 1.246 461 R HN 0.331 nan 8.270 nan 0.000 0.553 462 G N 1.358 110.126 108.800 -0.055 0.000 2.241 462 G HA2 -0.305 3.655 3.960 -0.001 0.000 0.244 462 G HA3 -0.305 3.655 3.960 -0.001 0.000 0.244 462 G C 0.282 175.158 174.900 -0.039 0.000 0.998 462 G CA -0.331 44.742 45.100 -0.045 0.000 0.621 462 G HN 0.240 nan 8.290 nan 0.000 0.519 463 R N 0.781 121.259 120.500 -0.037 0.000 2.734 463 R HA 0.435 4.774 4.340 -0.001 0.000 0.266 463 R C 0.318 176.631 176.300 0.021 0.000 1.044 463 R CA 0.652 56.759 56.100 0.012 0.000 1.128 463 R CB 0.184 30.511 30.300 0.045 0.000 1.010 463 R HN 0.599 nan 8.270 nan 0.000 0.461 464 Q N 0.798 120.577 119.800 -0.036 0.000 2.462 464 Q HA 0.493 4.832 4.340 -0.001 0.000 0.285 464 Q C -1.344 174.419 176.000 -0.396 0.000 1.035 464 Q CA -0.961 54.709 55.803 -0.222 0.000 0.799 464 Q CB 3.372 32.023 28.738 -0.146 0.000 1.452 464 Q HN 0.426 nan 8.270 nan 0.000 0.404 465 K N 0.554 120.572 120.400 -0.637 0.000 2.600 465 K HA 0.510 4.830 4.320 -0.001 0.000 0.262 465 K C -2.354 174.012 176.600 -0.389 0.000 0.935 465 K CA -0.502 55.498 56.287 -0.479 0.000 0.866 465 K CB 2.300 34.486 32.500 -0.522 0.000 1.354 465 K HN 0.396 nan 8.250 nan 0.000 0.419 466 V N 5.180 124.981 119.914 -0.189 0.000 2.733 466 V HA 0.798 4.918 4.120 -0.001 0.000 0.306 466 V C -1.321 174.741 176.094 -0.054 0.000 1.084 466 V CA -0.264 61.972 62.300 -0.107 0.000 0.905 466 V CB 1.742 33.516 31.823 -0.082 0.000 1.010 466 V HN 0.627 nan 8.190 nan 0.000 0.424 467 V N 3.167 123.070 119.914 -0.019 0.000 3.126 467 V HA 0.848 4.968 4.120 -0.001 0.000 0.314 467 V C -0.363 175.740 176.094 0.015 0.000 1.138 467 V CA -0.442 61.860 62.300 0.003 0.000 1.034 467 V CB 2.201 34.037 31.823 0.021 0.000 1.075 467 V HN 0.835 nan 8.190 nan 0.000 0.442 468 T N 3.298 117.862 114.554 0.018 0.000 2.807 468 T HA 0.811 5.161 4.350 -0.001 0.000 0.279 468 T C -0.799 173.917 174.700 0.027 0.000 0.993 468 T CA -0.188 61.924 62.100 0.020 0.000 0.970 468 T CB 1.145 70.021 68.868 0.013 0.000 0.950 468 T HN 0.631 nan 8.240 nan 0.000 0.441 469 L N 2.724 123.965 121.223 0.029 0.000 2.341 469 L HA 0.741 5.081 4.340 -0.001 0.000 0.267 469 L C 0.521 177.405 176.870 0.025 0.000 1.009 469 L CA -0.749 54.110 54.840 0.032 0.000 0.819 469 L CB 2.110 44.194 42.059 0.041 0.000 1.323 469 L HN 0.730 nan 8.230 nan 0.000 0.425 470 T N -2.617 111.951 114.554 0.023 0.000 2.841 470 T HA 0.375 4.725 4.350 -0.001 0.000 0.283 470 T C -0.279 174.432 174.700 0.017 0.000 1.000 470 T CA -0.758 61.353 62.100 0.018 0.000 0.977 470 T CB 1.425 70.303 68.868 0.016 0.000 0.979 470 T HN 0.737 nan 8.240 nan 0.000 0.446 471 D N 2.281 122.690 120.400 0.014 0.000 2.980 471 D HA -0.177 4.462 4.640 -0.001 0.000 0.218 471 D C 0.160 176.469 176.300 0.015 0.000 1.225 471 D CA 1.550 55.557 54.000 0.013 0.000 0.804 471 D CB -0.568 40.239 40.800 0.011 0.000 0.906 471 D HN 0.999 nan 8.370 nan 0.000 0.396 472 T N -0.853 113.710 114.554 0.016 0.000 2.724 472 T HA 0.779 5.128 4.350 -0.001 0.000 0.274 472 T C 0.442 175.147 174.700 0.008 0.000 0.984 472 T CA -0.096 62.014 62.100 0.016 0.000 1.024 472 T CB 2.056 70.940 68.868 0.026 0.000 1.320 472 T HN 0.255 nan 8.240 nan 0.000 0.555 473 T N -1.661 112.893 114.554 0.001 0.000 2.927 473 T HA 0.444 4.793 4.350 -0.001 0.000 0.286 473 T C 0.950 175.638 174.700 -0.019 0.000 1.040 473 T CA -0.987 61.103 62.100 -0.017 0.000 1.010 473 T CB 1.019 69.863 68.868 -0.040 0.000 1.177 473 T HN 0.512 nan 8.240 nan 0.000 0.546 474 N N 0.198 118.878 118.700 -0.032 0.000 2.192 474 N HA -0.167 4.573 4.740 -0.001 0.000 0.188 474 N C 1.826 177.308 175.510 -0.047 0.000 1.013 474 N CA 1.413 54.448 53.050 -0.025 0.000 0.863 474 N CB -0.158 38.311 38.487 -0.030 0.000 0.990 474 N HN 0.615 nan 8.380 nan 0.000 0.430 475 Q N 0.672 120.389 119.800 -0.139 0.000 2.046 475 Q HA -0.094 4.246 4.340 -0.001 0.000 0.200 475 Q C 1.788 177.792 176.000 0.007 0.000 0.975 475 Q CA 1.320 56.963 55.803 -0.266 0.000 0.836 475 Q CB 0.046 28.452 28.738 -0.553 0.000 0.896 475 Q HN 0.207 nan 8.270 nan 0.000 0.428 476 K N -0.091 120.323 120.400 0.023 0.000 2.025 476 K HA -0.114 4.206 4.320 -0.001 0.000 0.207 476 K C 2.222 178.876 176.600 0.090 0.000 1.049 476 K CA 1.815 58.150 56.287 0.079 0.000 0.933 476 K CB -0.564 31.968 32.500 0.054 0.000 0.714 476 K HN 0.368 nan 8.250 nan 0.000 0.438 477 T N -0.565 114.030 114.554 0.069 0.000 2.759 477 T HA -0.194 4.155 4.350 -0.001 0.000 0.269 477 T C 1.663 176.425 174.700 0.104 0.000 1.042 477 T CA 1.479 63.626 62.100 0.079 0.000 1.140 477 T CB -0.341 68.563 68.868 0.060 0.000 0.864 477 T HN 0.269 nan 8.240 nan 0.000 0.455 478 E N 0.400 120.671 120.200 0.117 0.000 2.208 478 E HA 0.052 4.402 4.350 -0.001 0.000 0.193 478 E C 1.897 178.591 176.600 0.157 0.000 0.988 478 E CA 0.468 56.955 56.400 0.145 0.000 0.828 478 E CB -0.113 29.695 29.700 0.180 0.000 0.763 478 E HN 0.277 nan 8.360 nan 0.000 0.478 479 L N 0.790 122.114 121.223 0.168 0.000 2.249 479 L HA -0.075 4.265 4.340 -0.001 0.000 0.207 479 L C 2.142 179.092 176.870 0.134 0.000 1.090 479 L CA 1.318 56.239 54.840 0.136 0.000 0.802 479 L CB -0.302 41.841 42.059 0.139 0.000 0.947 479 L HN 0.026 nan 8.230 nan 0.000 0.453 480 Q N -0.490 119.395 119.800 0.142 0.000 2.061 480 Q HA -0.139 4.201 4.340 -0.001 0.000 0.204 480 Q C 2.297 178.412 176.000 0.191 0.000 0.984 480 Q CA 1.783 57.694 55.803 0.180 0.000 0.846 480 Q CB -0.504 28.319 28.738 0.143 0.000 0.902 480 Q HN 0.509 nan 8.270 nan 0.000 0.421 481 A N 0.557 123.469 122.820 0.155 0.000 1.972 481 A HA -0.125 4.194 4.320 -0.001 0.000 0.219 481 A C 2.106 179.774 177.584 0.140 0.000 1.169 481 A CA 0.998 53.132 52.037 0.162 0.000 0.635 481 A CB -0.521 18.569 19.000 0.150 0.000 0.810 481 A HN 0.315 nan 8.150 nan 0.000 0.446 482 I N -2.395 118.241 120.570 0.111 0.000 2.333 482 I HA -0.148 4.021 4.170 -0.001 0.000 0.246 482 I C 2.403 178.546 176.117 0.043 0.000 1.106 482 I CA 1.032 62.360 61.300 0.047 0.000 1.411 482 I CB -0.398 37.626 38.000 0.039 0.000 1.082 482 I HN 0.455 nan 8.210 nan 0.000 0.420 483 Y N 2.029 122.308 120.300 -0.036 0.000 2.128 483 Y HA -0.259 4.290 4.550 -0.001 0.000 0.284 483 Y C 2.329 178.196 175.900 -0.054 0.000 1.154 483 Y CA 1.393 59.463 58.100 -0.049 0.000 1.149 483 Y CB -0.563 37.889 38.460 -0.014 0.000 0.976 483 Y HN 0.015 nan 8.280 nan 0.000 0.505 484 L N -0.430 120.755 121.223 -0.063 0.000 1.963 484 L HA -0.357 3.983 4.340 -0.001 0.000 0.220 484 L C 2.711 179.447 176.870 -0.223 0.000 1.076 484 L CA 1.812 56.602 54.840 -0.083 0.000 0.772 484 L CB -1.142 41.031 42.059 0.190 0.000 0.892 484 L HN 0.354 nan 8.230 nan 0.000 0.435 485 A N -0.538 122.106 122.820 -0.293 0.000 1.986 485 A HA -0.208 4.111 4.320 -0.001 0.000 0.220 485 A C 2.152 179.209 177.584 -0.879 0.000 1.171 485 A CA 1.642 53.161 52.037 -0.864 0.000 0.640 485 A CB -0.647 17.921 19.000 -0.720 0.000 0.811 485 A HN 0.470 nan 8.150 nan 0.000 0.451 486 L N -0.656 120.271 121.223 -0.493 0.000 2.270 486 L HA -0.161 4.179 4.340 -0.001 0.000 0.210 486 L C 2.834 179.499 176.870 -0.341 0.000 1.104 486 L CA 1.258 55.870 54.840 -0.379 0.000 0.804 486 L CB -0.394 41.543 42.059 -0.202 0.000 0.937 486 L HN 0.688 nan 8.230 nan 0.000 0.450 487 Q N -1.257 118.308 119.800 -0.392 0.000 2.354 487 Q HA -0.073 4.267 4.340 -0.001 0.000 0.203 487 Q C 0.712 176.594 176.000 -0.197 0.000 0.933 487 Q CA 0.828 56.447 55.803 -0.308 0.000 0.901 487 Q CB 0.066 28.548 28.738 -0.427 0.000 1.007 487 Q HN 0.337 nan 8.270 nan 0.000 0.495 488 D N 1.522 121.799 120.400 -0.204 0.000 2.338 488 D HA 0.004 4.643 4.640 -0.001 0.000 0.208 488 D C 0.760 177.045 176.300 -0.025 0.000 0.997 488 D CA 0.759 54.725 54.000 -0.056 0.000 0.880 488 D CB 0.274 41.123 40.800 0.082 0.000 0.980 488 D HN 0.298 nan 8.370 nan 0.000 0.509 489 S N -0.365 115.220 115.700 -0.193 0.000 2.617 489 S HA 0.525 4.995 4.470 -0.001 0.000 0.259 489 S C 0.922 175.486 174.600 -0.060 0.000 1.301 489 S CA -0.321 57.822 58.200 -0.095 0.000 0.984 489 S CB 1.537 64.504 63.200 -0.389 0.000 0.954 489 S HN 0.108 nan 8.310 nan 0.000 0.572 490 G N -0.633 108.164 108.800 -0.005 0.000 2.829 490 G HA2 0.412 4.372 3.960 -0.001 0.000 0.173 490 G HA3 0.412 4.372 3.960 -0.001 0.000 0.173 490 G C 0.584 175.469 174.900 -0.024 0.000 1.476 490 G CA -0.770 44.325 45.100 -0.009 0.000 1.072 490 G HN 0.652 nan 8.290 nan 0.000 0.577 491 L N -0.178 121.042 121.223 -0.005 0.000 2.446 491 L HA 0.241 4.580 4.340 -0.001 0.000 0.219 491 L C 0.431 177.303 176.870 0.003 0.000 1.116 491 L CA 0.784 55.622 54.840 -0.004 0.000 0.844 491 L CB -0.097 41.966 42.059 0.006 0.000 0.970 491 L HN 0.379 nan 8.230 nan 0.000 0.457 492 E N 0.542 120.749 120.200 0.011 0.000 2.220 492 E HA 0.418 4.767 4.350 -0.001 0.000 0.256 492 E C -1.327 175.292 176.600 0.032 0.000 0.881 492 E CA -0.141 56.273 56.400 0.022 0.000 0.766 492 E CB 3.136 32.852 29.700 0.027 0.000 1.187 492 E HN -0.163 nan 8.360 nan 0.000 0.419 493 V N 3.291 123.220 119.914 0.025 0.000 2.841 493 V HA 0.445 4.564 4.120 -0.001 0.000 0.310 493 V C -1.562 174.571 176.094 0.066 0.000 1.090 493 V CA -0.727 61.596 62.300 0.038 0.000 0.930 493 V CB 2.230 34.002 31.823 -0.085 0.000 1.014 493 V HN 0.543 nan 8.190 nan 0.000 0.425 494 N N 5.642 124.412 118.700 0.117 0.000 2.419 494 N HA 0.611 5.351 4.740 -0.001 0.000 0.277 494 N C -0.952 174.607 175.510 0.081 0.000 1.006 494 N CA -0.141 52.990 53.050 0.135 0.000 0.923 494 N CB 1.734 40.311 38.487 0.149 0.000 1.140 494 N HN 0.652 nan 8.380 nan 0.000 0.488 495 I N 1.914 122.484 120.570 -0.001 0.000 2.389 495 I HA 0.330 4.499 4.170 -0.001 0.000 0.288 495 I C -0.441 175.608 176.117 -0.114 0.000 0.999 495 I CA -0.973 60.299 61.300 -0.047 0.000 1.129 495 I CB 1.729 39.676 38.000 -0.089 0.000 1.288 495 I HN -0.032 nan 8.210 nan 0.000 0.444 496 V N 4.762 124.578 119.914 -0.164 0.000 2.472 496 V HA 0.569 4.689 4.120 -0.001 0.000 0.290 496 V C 0.074 176.103 176.094 -0.109 0.000 1.037 496 V CA -0.297 61.871 62.300 -0.220 0.000 0.908 496 V CB 1.791 33.311 31.823 -0.505 0.000 0.985 496 V HN 0.805 nan 8.190 nan 0.000 0.454 497 T N 1.230 115.729 114.554 -0.092 0.000 2.900 497 T HA 0.400 4.749 4.350 -0.001 0.000 0.303 497 T C -0.195 174.405 174.700 -0.167 0.000 1.142 497 T CA -0.433 61.641 62.100 -0.044 0.000 1.007 497 T CB 1.778 70.668 68.868 0.037 0.000 1.156 497 T HN 0.845 nan 8.240 nan 0.000 0.490 498 D N 1.182 121.499 120.400 -0.138 0.000 2.369 498 D HA 0.176 4.815 4.640 -0.001 0.000 0.211 498 D C 0.568 176.921 176.300 0.089 0.000 1.077 498 D CA -0.122 53.704 54.000 -0.291 0.000 0.842 498 D CB 0.187 40.879 40.800 -0.181 0.000 0.947 498 D HN 0.259 nan 8.370 nan 0.000 0.509 499 S N 0.645 116.478 115.700 0.221 0.000 2.399 499 S HA 0.079 4.549 4.470 -0.001 0.000 0.301 499 S C 0.957 175.814 174.600 0.428 0.000 1.093 499 S CA -0.560 57.837 58.200 0.328 0.000 1.077 499 S CB 1.096 64.446 63.200 0.251 0.000 0.980 499 S HN 0.252 nan 8.310 nan 0.000 0.494 500 Q N 4.765 124.820 119.800 0.426 0.000 2.123 500 Q HA -0.158 4.182 4.340 -0.001 0.000 0.199 500 Q C 1.442 177.483 176.000 0.068 0.000 0.966 500 Q CA 1.427 57.277 55.803 0.077 0.000 0.845 500 Q CB -0.320 28.322 28.738 -0.160 0.000 0.907 500 Q HN 0.974 nan 8.270 nan 0.000 0.439 501 Y N 0.745 121.066 120.300 0.035 0.000 2.069 501 Y HA -0.352 4.198 4.550 -0.001 0.000 0.278 501 Y C 2.071 177.988 175.900 0.029 0.000 1.175 501 Y CA 2.397 60.516 58.100 0.031 0.000 1.134 501 Y CB -0.729 37.763 38.460 0.053 0.000 0.965 501 Y HN 0.224 nan 8.280 nan 0.000 0.498 502 A N 0.610 123.429 122.820 -0.001 0.000 1.898 502 A HA -0.138 4.182 4.320 -0.001 0.000 0.216 502 A C 2.446 179.962 177.584 -0.113 0.000 1.181 502 A CA 1.524 53.488 52.037 -0.123 0.000 0.620 502 A CB -1.217 17.833 19.000 0.084 0.000 0.819 502 A HN 0.651 nan 8.150 nan 0.000 0.442 503 L N -0.515 120.694 121.223 -0.023 0.000 1.989 503 L HA -0.174 4.166 4.340 -0.001 0.000 0.211 503 L C 2.626 179.437 176.870 -0.099 0.000 1.071 503 L CA 1.813 56.630 54.840 -0.038 0.000 0.749 503 L CB -0.896 41.161 42.059 -0.003 0.000 0.890 503 L HN 0.468 nan 8.230 nan 0.000 0.431 504 G N 0.231 108.943 108.800 -0.147 0.000 2.491 504 G HA2 -0.313 3.647 3.960 -0.001 0.000 0.218 504 G HA3 -0.313 3.647 3.960 -0.001 0.000 0.218 504 G C 1.493 176.347 174.900 -0.077 0.000 1.180 504 G CA 1.206 46.210 45.100 -0.159 0.000 0.774 504 G HN 0.419 nan 8.290 nan 0.000 0.562 505 I N 0.572 121.038 120.570 -0.172 0.000 2.068 505 I HA -0.260 3.909 4.170 -0.001 0.000 0.238 505 I C 2.770 178.855 176.117 -0.054 0.000 1.046 505 I CA 1.466 62.653 61.300 -0.189 0.000 1.306 505 I CB -0.350 37.380 38.000 -0.449 0.000 1.023 505 I HN 0.166 nan 8.210 nan 0.000 0.399 506 I N -0.111 120.425 120.570 -0.056 0.000 2.353 506 I HA -0.272 3.897 4.170 -0.001 0.000 0.248 506 I C 2.588 178.784 176.117 0.132 0.000 1.119 506 I CA 1.044 62.368 61.300 0.041 0.000 1.417 506 I CB -0.321 37.678 38.000 -0.002 0.000 1.078 506 I HN 0.288 nan 8.210 nan 0.000 0.421 507 Q N 1.224 121.071 119.800 0.078 0.000 2.368 507 Q HA -0.149 4.191 4.340 -0.001 0.000 0.210 507 Q C 1.914 178.051 176.000 0.228 0.000 0.982 507 Q CA 1.547 57.412 55.803 0.103 0.000 0.884 507 Q CB -0.072 28.665 28.738 -0.002 0.000 0.933 507 Q HN 0.534 nan 8.270 nan 0.000 0.460 508 A N -0.609 122.387 122.820 0.293 0.000 2.238 508 A HA -0.000 4.320 4.320 -0.001 0.000 0.208 508 A C 0.420 178.235 177.584 0.385 0.000 1.177 508 A CA 0.476 52.788 52.037 0.458 0.000 0.804 508 A CB -0.024 19.263 19.000 0.479 0.000 0.823 508 A HN 0.477 nan 8.150 nan 0.000 0.482 509 Q N -1.758 118.214 119.800 0.286 0.000 2.453 509 Q HA -0.137 4.203 4.340 -0.001 0.000 0.294 509 Q C -2.270 173.791 176.000 0.102 0.000 1.295 509 Q CA 0.689 56.578 55.803 0.142 0.000 0.853 509 Q CB -1.878 26.853 28.738 -0.011 0.000 1.193 509 Q HN 0.478 nan 8.270 nan 0.000 0.461 510 P HA -0.074 nan 4.420 nan 0.000 0.271 510 P C 0.265 177.693 177.300 0.212 0.000 1.228 510 P CA 0.855 64.068 63.100 0.189 0.000 0.797 510 P CB 0.388 32.201 31.700 0.189 0.000 0.914 511 D N -2.992 117.515 120.400 0.179 0.000 2.530 511 D HA 0.068 4.708 4.640 -0.001 0.000 0.290 511 D C -0.384 176.012 176.300 0.161 0.000 1.398 511 D CA 0.066 54.201 54.000 0.226 0.000 0.848 511 D CB -0.192 40.782 40.800 0.290 0.000 1.279 511 D HN 0.358 nan 8.370 nan 0.000 0.483 512 Q N -0.173 119.710 119.800 0.139 0.000 2.391 512 Q HA 0.679 5.019 4.340 -0.001 0.000 0.279 512 Q C -1.635 174.450 176.000 0.141 0.000 1.028 512 Q CA -0.742 55.127 55.803 0.111 0.000 0.836 512 Q CB 2.738 31.531 28.738 0.093 0.000 1.414 512 Q HN 0.029 nan 8.270 nan 0.000 0.397 513 S N 0.079 115.855 115.700 0.127 0.000 2.550 513 S HA 0.239 4.709 4.470 -0.001 0.000 0.270 513 S C -0.303 174.362 174.600 0.107 0.000 1.145 513 S CA -0.443 57.868 58.200 0.186 0.000 0.852 513 S CB 1.517 64.890 63.200 0.289 0.000 1.119 513 S HN 0.704 nan 8.310 nan 0.000 0.465 514 E N 1.042 121.292 120.200 0.084 0.000 2.152 514 E HA -0.003 4.346 4.350 -0.001 0.000 0.192 514 E C 0.430 177.068 176.600 0.063 0.000 0.983 514 E CA 0.556 56.983 56.400 0.045 0.000 0.818 514 E CB 0.085 29.790 29.700 0.009 0.000 0.758 514 E HN 0.434 nan 8.360 nan 0.000 0.467 515 S N 0.523 116.290 115.700 0.112 0.000 2.510 515 S HA -0.021 4.449 4.470 -0.001 0.000 0.279 515 S C 0.902 175.524 174.600 0.037 0.000 1.284 515 S CA -0.334 57.920 58.200 0.091 0.000 1.059 515 S CB 1.179 64.466 63.200 0.144 0.000 0.901 515 S HN 0.202 nan 8.310 nan 0.000 0.491 516 E N 4.557 124.760 120.200 0.005 0.000 2.047 516 E HA -0.098 4.251 4.350 -0.001 0.000 0.191 516 E C 1.829 178.374 176.600 -0.092 0.000 0.987 516 E CA 1.188 57.568 56.400 -0.033 0.000 0.799 516 E CB -0.254 29.428 29.700 -0.030 0.000 0.752 516 E HN 0.838 nan 8.360 nan 0.000 0.449 517 L N 0.158 121.323 121.223 -0.097 0.000 1.991 517 L HA -0.278 4.062 4.340 -0.001 0.000 0.221 517 L C 2.353 179.094 176.870 -0.215 0.000 1.079 517 L CA 1.827 56.556 54.840 -0.186 0.000 0.778 517 L CB -0.409 41.599 42.059 -0.086 0.000 0.893 517 L HN 0.201 nan 8.230 nan 0.000 0.437 518 V N -0.290 119.564 119.914 -0.099 0.000 2.343 518 V HA -0.284 3.836 4.120 -0.001 0.000 0.247 518 V C 2.201 178.250 176.094 -0.076 0.000 1.051 518 V CA 1.885 64.134 62.300 -0.086 0.000 1.036 518 V CB -0.841 30.956 31.823 -0.044 0.000 0.654 518 V HN 0.509 nan 8.190 nan 0.000 0.451 519 N N -0.028 118.643 118.700 -0.048 0.000 2.258 519 N HA -0.197 4.543 4.740 -0.001 0.000 0.187 519 N C 1.897 177.357 175.510 -0.084 0.000 1.012 519 N CA 1.424 54.451 53.050 -0.038 0.000 0.870 519 N CB -0.082 38.391 38.487 -0.024 0.000 0.977 519 N HN 0.658 nan 8.380 nan 0.000 0.434 520 Q N 0.366 120.060 119.800 -0.178 0.000 2.036 520 Q HA 0.068 4.407 4.340 -0.001 0.000 0.195 520 Q C 2.248 178.150 176.000 -0.164 0.000 0.971 520 Q CA 0.489 56.151 55.803 -0.235 0.000 0.826 520 Q CB -0.116 28.285 28.738 -0.562 0.000 0.896 520 Q HN 0.328 nan 8.270 nan 0.000 0.449 521 I N 1.243 121.663 120.570 -0.251 0.000 2.227 521 I HA -0.365 3.804 4.170 -0.001 0.000 0.250 521 I C 2.275 178.346 176.117 -0.075 0.000 1.087 521 I CA 1.402 62.672 61.300 -0.051 0.000 1.352 521 I CB -0.413 37.542 38.000 -0.075 0.000 1.043 521 I HN 0.239 nan 8.210 nan 0.000 0.425 522 I N 0.045 120.566 120.570 -0.081 0.000 2.162 522 I HA -0.252 3.917 4.170 -0.001 0.000 0.238 522 I C 2.543 178.622 176.117 -0.063 0.000 1.076 522 I CA 1.173 62.432 61.300 -0.068 0.000 1.353 522 I CB -0.373 37.648 38.000 0.035 0.000 1.063 522 I HN 0.109 nan 8.210 nan 0.000 0.408 523 E N 0.733 120.913 120.200 -0.033 0.000 2.108 523 E HA -0.334 4.016 4.350 -0.001 0.000 0.203 523 E C 2.054 178.643 176.600 -0.019 0.000 1.022 523 E CA 1.813 58.199 56.400 -0.023 0.000 0.823 523 E CB -0.171 29.524 29.700 -0.008 0.000 0.744 523 E HN 0.278 nan 8.360 nan 0.000 0.456 524 Q N -0.242 119.560 119.800 0.003 0.000 2.061 524 Q HA -0.069 4.270 4.340 -0.001 0.000 0.204 524 Q C 2.171 178.124 176.000 -0.079 0.000 0.984 524 Q CA 1.423 57.221 55.803 -0.007 0.000 0.846 524 Q CB -0.252 28.517 28.738 0.051 0.000 0.902 524 Q HN 0.351 nan 8.270 nan 0.000 0.421 525 L N -0.274 120.848 121.223 -0.169 0.000 2.191 525 L HA -0.143 4.197 4.340 -0.001 0.000 0.212 525 L C 1.957 178.724 176.870 -0.173 0.000 1.103 525 L CA 0.719 55.377 54.840 -0.304 0.000 0.769 525 L CB -0.304 41.298 42.059 -0.762 0.000 0.908 525 L HN 0.314 nan 8.230 nan 0.000 0.438 526 I N -0.244 120.291 120.570 -0.060 0.000 2.716 526 I HA -0.203 3.967 4.170 -0.001 0.000 0.259 526 I C 2.626 178.775 176.117 0.053 0.000 1.172 526 I CA 0.711 62.062 61.300 0.084 0.000 1.478 526 I CB -0.381 37.679 38.000 0.100 0.000 1.104 526 I HN 0.300 nan 8.210 nan 0.000 0.439 527 K N 2.029 122.433 120.400 0.006 0.000 2.097 527 K HA -0.093 4.226 4.320 -0.001 0.000 0.205 527 K C 0.882 177.485 176.600 0.005 0.000 1.050 527 K CA 0.859 57.148 56.287 0.003 0.000 0.938 527 K CB 0.110 32.603 32.500 -0.013 0.000 0.718 527 K HN 0.093 nan 8.250 nan 0.000 0.442 528 K N 1.143 121.537 120.400 -0.011 0.000 2.187 528 K HA -0.055 4.265 4.320 -0.001 0.000 0.247 528 K C 0.990 177.604 176.600 0.024 0.000 1.019 528 K CA 0.362 56.643 56.287 -0.010 0.000 0.893 528 K CB 0.875 33.353 32.500 -0.036 0.000 1.025 528 K HN 0.312 nan 8.250 nan 0.000 0.500 529 E N 0.186 120.402 120.200 0.026 0.000 2.391 529 E HA 0.054 4.403 4.350 -0.001 0.000 0.206 529 E C -0.581 176.048 176.600 0.049 0.000 0.851 529 E CA 0.289 56.715 56.400 0.042 0.000 1.059 529 E CB 0.672 30.392 29.700 0.034 0.000 1.065 529 E HN 0.338 nan 8.360 nan 0.000 0.512 530 K N 0.488 120.912 120.400 0.039 0.000 2.501 530 K HA 0.508 4.827 4.320 -0.001 0.000 0.252 530 K C -1.786 174.843 176.600 0.048 0.000 0.934 530 K CA -0.740 55.578 56.287 0.052 0.000 0.797 530 K CB 3.091 35.618 32.500 0.046 0.000 1.270 530 K HN -0.140 nan 8.250 nan 0.000 0.431 531 V N 2.776 122.733 119.914 0.071 0.000 2.668 531 V HA 0.311 4.431 4.120 -0.001 0.000 0.304 531 V C -1.719 174.455 176.094 0.135 0.000 1.071 531 V CA -0.936 61.400 62.300 0.061 0.000 0.894 531 V CB 1.611 33.434 31.823 0.001 0.000 1.008 531 V HN 0.741 nan 8.190 nan 0.000 0.425 532 Y N 5.344 125.640 120.300 -0.007 0.000 2.341 532 Y HA 0.724 5.273 4.550 -0.001 0.000 0.338 532 Y C -1.041 174.854 175.900 -0.009 0.000 0.965 532 Y CA -0.890 57.210 58.100 0.001 0.000 1.108 532 Y CB 1.575 40.034 38.460 -0.001 0.000 1.180 532 Y HN 0.617 nan 8.280 nan 0.000 0.458 533 L N 6.546 127.428 121.223 -0.567 0.000 2.313 533 L HA 0.880 5.220 4.340 -0.001 0.000 0.283 533 L C -1.113 175.361 176.870 -0.659 0.000 1.013 533 L CA -0.496 54.077 54.840 -0.446 0.000 0.816 533 L CB 1.016 42.949 42.059 -0.210 0.000 1.236 533 L HN 0.897 nan 8.230 nan 0.000 0.419 534 A N 4.582 127.143 122.820 -0.432 0.000 2.380 534 A HA 0.581 4.901 4.320 -0.001 0.000 0.315 534 A C -1.934 175.633 177.584 -0.030 0.000 1.101 534 A CA -0.551 51.332 52.037 -0.257 0.000 0.771 534 A CB 1.390 20.305 19.000 -0.142 0.000 1.287 534 A HN 0.818 nan 8.150 nan 0.000 0.436 535 W N 1.690 122.919 121.300 -0.118 0.000 2.627 535 W HA 0.652 5.312 4.660 -0.001 0.000 0.339 535 W C -1.386 175.117 176.519 -0.027 0.000 1.058 535 W CA -0.403 56.902 57.345 -0.066 0.000 1.223 535 W CB 1.630 31.052 29.460 -0.062 0.000 1.389 535 W HN 0.568 nan 8.180 nan 0.000 0.541 536 V N 6.397 125.748 119.914 -0.938 0.000 2.925 536 V HA 0.467 4.586 4.120 -0.001 0.000 0.311 536 V C -2.024 173.022 176.094 -1.747 0.000 1.104 536 V CA -2.341 59.389 62.300 -0.951 0.000 0.954 536 V CB 2.964 34.544 31.823 -0.406 0.000 1.022 536 V HN 0.413 nan 8.190 nan 0.000 0.427 537 P HA 0.188 nan 4.420 nan 0.000 0.270 537 P C -0.535 176.577 177.300 -0.312 0.000 1.242 537 P CA 0.170 62.872 63.100 -0.663 0.000 0.768 537 P CB 0.649 32.263 31.700 -0.143 0.000 0.820 538 A N 3.556 126.262 122.820 -0.189 0.000 2.425 538 A HA 0.183 4.502 4.320 -0.001 0.000 0.249 538 A C 0.819 178.467 177.584 0.106 0.000 1.084 538 A CA 0.253 52.266 52.037 -0.039 0.000 0.781 538 A CB -0.854 18.170 19.000 0.041 0.000 1.019 538 A HN 0.779 nan 8.150 nan 0.000 0.490 539 H N -0.629 118.415 119.070 -0.043 0.000 4.123 539 H HA -0.194 4.362 4.556 -0.001 0.000 0.146 539 H C 1.372 176.687 175.328 -0.021 0.000 0.800 539 H CA 1.908 57.943 56.048 -0.022 0.000 1.256 539 H CB -0.814 28.945 29.762 -0.004 0.000 0.848 539 H HN 0.729 nan 8.280 nan 0.000 0.462 540 K N 1.008 121.444 120.400 0.061 0.000 2.209 540 K HA 0.082 4.402 4.320 -0.001 0.000 0.204 540 K C 1.080 177.679 176.600 -0.001 0.000 1.048 540 K CA 1.388 57.694 56.287 0.032 0.000 0.940 540 K CB 0.063 32.568 32.500 0.007 0.000 0.729 540 K HN 0.619 nan 8.250 nan 0.000 0.451 541 G N 0.214 108.994 108.800 -0.035 0.000 2.629 541 G HA2 -0.071 3.888 3.960 -0.001 0.000 0.154 541 G HA3 -0.071 3.888 3.960 -0.001 0.000 0.154 541 G C -0.541 174.331 174.900 -0.048 0.000 1.077 541 G CA -0.320 44.749 45.100 -0.051 0.000 0.831 541 G HN 0.051 nan 8.290 nan 0.000 0.495 542 I N 0.610 121.149 120.570 -0.053 0.000 2.664 542 I HA 0.548 4.718 4.170 -0.001 0.000 0.308 542 I C 2.085 178.175 176.117 -0.044 0.000 0.984 542 I CA 0.381 61.661 61.300 -0.033 0.000 1.213 542 I CB 0.549 38.534 38.000 -0.025 0.000 1.379 542 I HN 0.327 nan 8.210 nan 0.000 0.501 543 G N 3.710 112.492 108.800 -0.030 0.000 3.017 543 G HA2 -0.315 3.644 3.960 -0.001 0.000 0.232 543 G HA3 -0.315 3.644 3.960 -0.001 0.000 0.232 543 G C 1.135 175.858 174.900 -0.294 0.000 1.165 543 G CA 1.224 46.252 45.100 -0.119 0.000 0.761 543 G HN 0.851 nan 8.290 nan 0.000 0.876 544 G N -0.111 108.309 108.800 -0.634 0.000 3.042 544 G HA2 0.076 4.036 3.960 -0.001 0.000 0.212 544 G HA3 0.076 4.036 3.960 -0.001 0.000 0.212 544 G C 1.385 176.188 174.900 -0.161 0.000 1.166 544 G CA 0.985 45.614 45.100 -0.786 0.000 0.767 544 G HN 0.522 nan 8.290 nan 0.000 0.546 545 N N 1.347 120.042 118.700 -0.008 0.000 2.062 545 N HA -0.108 4.631 4.740 -0.001 0.000 0.191 545 N C 2.049 177.526 175.510 -0.055 0.000 1.042 545 N CA 1.314 54.371 53.050 0.012 0.000 0.845 545 N CB -0.098 38.376 38.487 -0.023 0.000 1.024 545 N HN 0.232 nan 8.380 nan 0.000 0.424 546 E N 0.080 120.224 120.200 -0.092 0.000 2.106 546 E HA -0.156 4.194 4.350 -0.001 0.000 0.192 546 E C 1.891 178.430 176.600 -0.102 0.000 0.984 546 E CA 0.707 57.040 56.400 -0.113 0.000 0.806 546 E CB -0.119 29.513 29.700 -0.114 0.000 0.750 546 E HN 0.542 nan 8.360 nan 0.000 0.458 547 Q N 0.408 120.139 119.800 -0.115 0.000 2.002 547 Q HA -0.125 4.215 4.340 -0.001 0.000 0.204 547 Q C 2.304 178.256 176.000 -0.080 0.000 0.988 547 Q CA 1.157 56.892 55.803 -0.113 0.000 0.843 547 Q CB -0.813 27.825 28.738 -0.167 0.000 0.908 547 Q HN 0.196 nan 8.270 nan 0.000 0.420 548 V N 1.588 121.469 119.914 -0.055 0.000 3.573 548 V HA -0.092 4.028 4.120 -0.001 0.000 0.270 548 V C 1.486 177.571 176.094 -0.016 0.000 1.221 548 V CA 0.996 63.285 62.300 -0.019 0.000 1.163 548 V CB -0.196 31.654 31.823 0.045 0.000 0.847 548 V HN 0.238 nan 8.190 nan 0.000 0.468 549 D N 0.184 120.561 120.400 -0.037 0.000 2.277 549 D HA -0.137 4.503 4.640 -0.001 0.000 0.208 549 D C 2.090 178.358 176.300 -0.052 0.000 0.962 549 D CA 0.780 54.752 54.000 -0.046 0.000 0.865 549 D CB 0.139 40.884 40.800 -0.092 0.000 0.939 549 D HN 0.515 nan 8.370 nan 0.000 0.510 550 K N 0.706 121.071 120.400 -0.058 0.000 2.097 550 K HA -0.087 4.233 4.320 -0.001 0.000 0.205 550 K C 2.058 178.634 176.600 -0.040 0.000 1.050 550 K CA 0.557 56.813 56.287 -0.051 0.000 0.938 550 K CB -0.096 32.370 32.500 -0.057 0.000 0.718 550 K HN 0.215 nan 8.250 nan 0.000 0.442 551 L N 1.849 123.048 121.223 -0.040 0.000 2.492 551 L HA 0.033 4.372 4.340 -0.001 0.000 0.223 551 L C 1.222 178.076 176.870 -0.028 0.000 1.132 551 L CA -0.172 54.643 54.840 -0.041 0.000 0.850 551 L CB 0.082 42.107 42.059 -0.057 0.000 0.966 551 L HN 0.034 nan 8.230 nan 0.000 0.454 552 V N 0.000 119.905 119.914 -0.016 0.000 2.409 552 V HA 0.000 4.120 4.120 -0.001 0.000 0.244 552 V CA 0.000 62.300 62.300 -0.001 0.000 1.235 552 V CB 0.000 31.832 31.823 0.014 0.000 1.184 552 V HN 0.000 nan 8.190 nan 0.000 0.556