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 3med_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 0.000 177.359 177.300 0.098 0.000 1.155 1 P CA 0.000 63.148 63.100 0.080 0.000 0.800 1 P CB 0.000 31.741 31.700 0.068 0.000 0.726 2 I N 0.339 120.956 120.570 0.079 0.000 2.503 2 I HA 0.239 4.411 4.170 0.002 0.000 0.282 2 I C -0.128 176.042 176.117 0.087 0.000 1.059 2 I CA -0.653 60.703 61.300 0.094 0.000 1.081 2 I CB 2.061 40.107 38.000 0.076 0.000 1.210 2 I HN -0.116 nan 8.210 nan 0.000 0.450 3 S N 7.436 123.206 115.700 0.117 0.000 2.558 3 S HA 0.131 4.602 4.470 0.002 0.000 0.293 3 S C -1.226 173.454 174.600 0.134 0.000 1.292 3 S CA -0.680 57.604 58.200 0.141 0.000 1.063 3 S CB 0.646 63.948 63.200 0.170 0.000 0.831 3 S HN 0.469 nan 8.310 nan 0.000 0.499 4 P HA 0.087 nan 4.420 nan 0.000 0.247 4 P C 0.433 177.884 177.300 0.252 0.000 1.225 4 P CA -0.132 63.022 63.100 0.091 0.000 0.768 4 P CB -0.239 31.401 31.700 -0.099 0.000 1.020 5 I N 2.030 122.817 120.570 0.362 0.000 2.872 5 I HA -0.055 4.117 4.170 0.002 0.000 0.291 5 I C 1.016 177.231 176.117 0.163 0.000 1.216 5 I CA -0.322 61.156 61.300 0.297 0.000 1.424 5 I CB 0.277 38.359 38.000 0.138 0.000 1.351 5 I HN -0.061 nan 8.210 nan 0.000 0.592 6 E N 5.181 125.456 120.200 0.125 0.000 2.398 6 E HA 0.103 4.454 4.350 0.002 0.000 0.263 6 E C -0.408 176.231 176.600 0.066 0.000 1.046 6 E CA -0.363 56.089 56.400 0.087 0.000 0.908 6 E CB 0.004 29.747 29.700 0.071 0.000 0.963 6 E HN 0.649 nan 8.360 nan 0.000 0.431 7 T N -1.282 113.312 114.554 0.066 0.000 2.882 7 T HA 0.349 4.700 4.350 0.002 0.000 0.287 7 T C 0.370 175.108 174.700 0.063 0.000 1.014 7 T CA -0.941 61.199 62.100 0.066 0.000 1.049 7 T CB 1.116 70.027 68.868 0.072 0.000 1.001 7 T HN 0.310 nan 8.240 nan 0.000 0.525 8 V N 3.921 123.877 119.914 0.070 0.000 2.461 8 V HA 0.311 4.433 4.120 0.002 0.000 0.275 8 V C -2.059 174.091 176.094 0.093 0.000 1.047 8 V CA -1.830 60.520 62.300 0.083 0.000 0.955 8 V CB 0.588 32.475 31.823 0.107 0.000 0.988 8 V HN 0.832 nan 8.190 nan 0.000 0.471 9 P HA 0.181 nan 4.420 nan 0.000 0.267 9 P C -0.674 176.669 177.300 0.072 0.000 1.209 9 P CA 0.268 63.414 63.100 0.078 0.000 0.763 9 P CB 0.574 32.309 31.700 0.058 0.000 0.816 10 V N 4.189 124.138 119.914 0.058 0.000 2.960 10 V HA 0.702 4.823 4.120 0.002 0.000 0.315 10 V C 0.116 176.234 176.094 0.041 0.000 1.087 10 V CA -0.586 61.689 62.300 -0.042 0.000 0.982 10 V CB 2.207 33.835 31.823 -0.325 0.000 1.039 10 V HN 0.644 nan 8.190 nan 0.000 0.437 11 K N 1.837 122.244 120.400 0.013 0.000 2.579 11 K HA 0.697 5.018 4.320 0.002 0.000 0.284 11 K C -2.029 174.654 176.600 0.139 0.000 0.990 11 K CA -1.002 55.393 56.287 0.180 0.000 0.880 11 K CB 1.668 34.229 32.500 0.103 0.000 1.488 11 K HN 0.328 nan 8.250 nan 0.000 0.425 12 L N 1.811 123.105 121.223 0.118 0.000 2.418 12 L HA 0.356 4.698 4.340 0.002 0.000 0.265 12 L C 0.242 177.107 176.870 -0.009 0.000 1.143 12 L CA -0.478 54.385 54.840 0.039 0.000 0.809 12 L CB 0.580 42.562 42.059 -0.128 0.000 1.124 12 L HN 0.559 nan 8.230 nan 0.000 0.456 13 K N 2.682 123.074 120.400 -0.014 0.000 2.580 13 K HA -0.102 4.220 4.320 0.002 0.000 0.278 13 K C -1.420 175.172 176.600 -0.014 0.000 0.960 13 K CA -0.430 55.844 56.287 -0.022 0.000 0.988 13 K CB 0.063 32.556 32.500 -0.012 0.000 0.887 13 K HN 0.418 nan 8.250 nan 0.000 0.509 14 P HA -0.192 nan 4.420 nan 0.000 0.215 14 P C 1.111 178.415 177.300 0.006 0.000 1.153 14 P CA 1.767 64.866 63.100 -0.002 0.000 0.853 14 P CB 0.074 31.772 31.700 -0.003 0.000 0.788 15 G N -0.639 108.166 108.800 0.008 0.000 2.408 15 G HA2 -0.002 3.959 3.960 0.002 0.000 0.215 15 G HA3 -0.002 3.959 3.960 0.002 0.000 0.215 15 G C 0.974 175.885 174.900 0.018 0.000 1.156 15 G CA 0.233 45.343 45.100 0.015 0.000 0.793 15 G HN 0.205 nan 8.290 nan 0.000 0.535 16 M N 1.333 120.939 119.600 0.010 0.000 2.163 16 M HA 0.324 4.805 4.480 0.002 0.000 0.305 16 M C -0.234 176.064 176.300 -0.004 0.000 1.166 16 M CA -0.258 55.048 55.300 0.010 0.000 1.132 16 M CB 0.767 33.370 32.600 0.006 0.000 1.413 16 M HN 0.217 nan 8.290 nan 0.000 0.478 17 D N -0.263 120.144 120.400 0.011 0.000 2.566 17 D HA 0.498 5.139 4.640 0.002 0.000 0.254 17 D C -0.266 176.010 176.300 -0.039 0.000 1.090 17 D CA -0.636 53.372 54.000 0.013 0.000 1.034 17 D CB 0.462 41.353 40.800 0.152 0.000 1.434 17 D HN 0.681 nan 8.370 nan 0.000 0.509 18 G N -0.331 108.399 108.800 -0.116 0.000 2.614 18 G HA2 0.400 4.361 3.960 0.002 0.000 0.239 18 G HA3 0.400 4.361 3.960 0.002 0.000 0.239 18 G C -2.222 172.764 174.900 0.143 0.000 1.240 18 G CA -0.734 44.200 45.100 -0.276 0.000 0.842 18 G HN 0.451 nan 8.290 nan 0.000 0.584 19 P HA 0.234 nan 4.420 nan 0.000 0.272 19 P C -0.797 176.686 177.300 0.306 0.000 1.223 19 P CA -0.123 63.106 63.100 0.215 0.000 0.784 19 P CB 1.019 32.836 31.700 0.194 0.000 0.923 20 K N 1.281 121.811 120.400 0.218 0.000 3.146 20 K HA 0.307 4.629 4.320 0.002 0.000 0.168 20 K C -0.752 175.918 176.600 0.117 0.000 1.075 20 K CA -0.475 55.912 56.287 0.167 0.000 0.843 20 K CB 0.917 33.493 32.500 0.127 0.000 1.002 20 K HN 0.183 nan 8.250 nan 0.000 0.597 21 V N 1.249 121.234 119.914 0.119 0.000 2.546 21 V HA 0.217 4.338 4.120 0.002 0.000 0.284 21 V C 0.321 176.456 176.094 0.068 0.000 1.050 21 V CA -0.792 61.570 62.300 0.102 0.000 0.981 21 V CB 1.169 33.061 31.823 0.115 0.000 0.990 21 V HN 0.277 nan 8.190 nan 0.000 0.474 22 K N 3.130 123.576 120.400 0.077 0.000 2.322 22 K HA 0.231 4.553 4.320 0.002 0.000 0.283 22 K C -0.181 176.428 176.600 0.014 0.000 1.042 22 K CA -0.064 56.255 56.287 0.054 0.000 0.958 22 K CB 0.741 33.291 32.500 0.083 0.000 0.984 22 K HN 0.726 nan 8.250 nan 0.000 0.473 23 Q N 4.481 124.239 119.800 -0.070 0.000 2.288 23 Q HA 0.259 4.601 4.340 0.002 0.000 0.258 23 Q C -1.272 174.656 176.000 -0.120 0.000 0.957 23 Q CA -0.217 55.436 55.803 -0.250 0.000 0.919 23 Q CB 0.263 28.872 28.738 -0.215 0.000 1.185 23 Q HN 0.524 nan 8.270 nan 0.000 0.408 24 W N 3.623 124.941 121.300 0.030 0.000 2.183 24 W HA 0.665 5.326 4.660 0.002 0.000 0.348 24 W C -2.430 174.104 176.519 0.025 0.000 1.257 24 W CA -2.692 54.662 57.345 0.016 0.000 1.324 24 W CB -0.662 28.795 29.460 -0.004 0.000 1.144 24 W HN 0.518 nan 8.180 nan 0.000 0.622 25 P HA 0.060 nan 4.420 nan 0.000 0.271 25 P C -0.523 176.965 177.300 0.313 0.000 1.216 25 P CA -0.016 63.209 63.100 0.208 0.000 0.776 25 P CB 0.519 32.304 31.700 0.142 0.000 0.881 26 L N 1.684 123.026 121.223 0.199 0.000 2.319 26 L HA 0.442 4.784 4.340 0.002 0.000 0.267 26 L C 1.183 178.122 176.870 0.115 0.000 1.011 26 L CA -0.492 54.469 54.840 0.202 0.000 0.818 26 L CB 0.999 43.159 42.059 0.168 0.000 1.316 26 L HN 0.417 nan 8.230 nan 0.000 0.432 27 T N -2.198 112.419 114.554 0.105 0.000 2.680 27 T HA 0.018 4.369 4.350 0.002 0.000 0.314 27 T C 0.940 175.651 174.700 0.019 0.000 1.045 27 T CA 0.032 62.171 62.100 0.065 0.000 1.025 27 T CB 0.756 69.671 68.868 0.079 0.000 1.000 27 T HN 0.693 nan 8.240 nan 0.000 0.535 28 E N -0.174 120.028 120.200 0.004 0.000 2.250 28 E HA -0.089 4.262 4.350 0.002 0.000 0.192 28 E C 2.160 178.713 176.600 -0.078 0.000 0.986 28 E CA 0.629 57.014 56.400 -0.025 0.000 0.849 28 E CB 0.004 29.699 29.700 -0.008 0.000 0.797 28 E HN 0.874 nan 8.360 nan 0.000 0.482 29 E N 0.771 120.918 120.200 -0.088 0.000 2.208 29 E HA -0.194 4.157 4.350 0.002 0.000 0.193 29 E C 1.664 177.964 176.600 -0.500 0.000 0.988 29 E CA 0.761 57.043 56.400 -0.196 0.000 0.828 29 E CB -0.041 29.634 29.700 -0.042 0.000 0.763 29 E HN 0.116 nan 8.360 nan 0.000 0.478 30 K N 0.608 120.781 120.400 -0.378 0.000 2.116 30 K HA 0.054 4.376 4.320 0.002 0.000 0.203 30 K C 2.270 178.707 176.600 -0.271 0.000 1.052 30 K CA 1.045 57.077 56.287 -0.424 0.000 0.952 30 K CB -0.012 32.435 32.500 -0.088 0.000 0.729 30 K HN 0.174 nan 8.250 nan 0.000 0.446 31 I N 1.378 121.857 120.570 -0.151 0.000 2.315 31 I HA -0.264 3.908 4.170 0.002 0.000 0.248 31 I C 2.530 178.572 176.117 -0.125 0.000 1.117 31 I CA 1.106 62.350 61.300 -0.093 0.000 1.404 31 I CB -0.227 37.745 38.000 -0.047 0.000 1.071 31 I HN 0.163 nan 8.210 nan 0.000 0.419 32 K N 1.591 121.887 120.400 -0.175 0.000 2.026 32 K HA -0.192 4.130 4.320 0.002 0.000 0.208 32 K C 2.248 178.723 176.600 -0.209 0.000 1.048 32 K CA 1.588 57.776 56.287 -0.165 0.000 0.929 32 K CB -0.098 32.302 32.500 -0.166 0.000 0.713 32 K HN 0.275 nan 8.250 nan 0.000 0.439 33 A N 0.987 123.577 122.820 -0.383 0.000 1.902 33 A HA -0.134 4.187 4.320 0.002 0.000 0.217 33 A C 1.999 179.478 177.584 -0.176 0.000 1.181 33 A CA 1.126 52.930 52.037 -0.390 0.000 0.623 33 A CB -0.529 17.973 19.000 -0.831 0.000 0.818 33 A HN 0.282 nan 8.150 nan 0.000 0.443 34 L N -0.358 120.777 121.223 -0.147 0.000 2.046 34 L HA -0.137 4.205 4.340 0.002 0.000 0.208 34 L C 2.589 179.446 176.870 -0.022 0.000 1.077 34 L CA 1.460 56.269 54.840 -0.052 0.000 0.747 34 L CB -0.722 41.330 42.059 -0.012 0.000 0.896 34 L HN 0.216 nan 8.230 nan 0.000 0.432 35 V N 0.204 120.102 119.914 -0.026 0.000 2.358 35 V HA -0.251 3.871 4.120 0.002 0.000 0.246 35 V C 2.450 178.540 176.094 -0.007 0.000 1.047 35 V CA 1.847 64.151 62.300 0.007 0.000 1.035 35 V CB -0.704 31.117 31.823 -0.002 0.000 0.658 35 V HN 0.636 nan 8.190 nan 0.000 0.452 36 E N -0.081 120.102 120.200 -0.028 0.000 2.112 36 E HA -0.145 4.206 4.350 0.002 0.000 0.190 36 E C 2.245 178.836 176.600 -0.016 0.000 0.979 36 E CA 1.052 57.442 56.400 -0.017 0.000 0.814 36 E CB -0.290 29.401 29.700 -0.015 0.000 0.762 36 E HN 0.412 nan 8.360 nan 0.000 0.460 37 I N 2.037 122.596 120.570 -0.019 0.000 2.127 37 I HA -0.270 3.901 4.170 0.002 0.000 0.241 37 I C 2.594 178.674 176.117 -0.062 0.000 1.075 37 I CA 0.952 62.243 61.300 -0.015 0.000 1.334 37 I CB -1.307 36.691 38.000 -0.004 0.000 1.040 37 I HN 0.311 nan 8.210 nan 0.000 0.405 38 C N 0.183 119.421 119.300 -0.102 0.000 2.435 38 C HA -0.098 4.364 4.460 0.002 0.000 0.279 38 C C 2.934 177.797 174.990 -0.212 0.000 1.321 38 C CA 1.019 59.886 59.018 -0.253 0.000 1.752 38 C CB -1.117 26.396 27.740 -0.378 0.000 1.959 38 C HN 0.529 nan 8.230 nan 0.000 0.500 39 T N 0.314 114.825 114.554 -0.072 0.000 2.821 39 T HA -0.187 4.164 4.350 0.002 0.000 0.267 39 T C 1.768 176.448 174.700 -0.033 0.000 1.046 39 T CA 1.606 63.694 62.100 -0.020 0.000 1.139 39 T CB -0.233 68.640 68.868 0.008 0.000 0.871 39 T HN 0.698 nan 8.240 nan 0.000 0.454 40 E N 0.542 120.721 120.200 -0.035 0.000 2.047 40 E HA -0.094 4.258 4.350 0.002 0.000 0.191 40 E C 2.179 178.752 176.600 -0.044 0.000 0.987 40 E CA 0.988 57.374 56.400 -0.023 0.000 0.799 40 E CB -0.138 29.560 29.700 -0.002 0.000 0.752 40 E HN 0.446 nan 8.360 nan 0.000 0.449 41 M N 0.479 120.025 119.600 -0.089 0.000 2.159 41 M HA -0.167 4.314 4.480 0.002 0.000 0.263 41 M C 2.335 178.543 176.300 -0.153 0.000 1.063 41 M CA 1.495 56.710 55.300 -0.143 0.000 1.110 41 M CB -0.123 32.328 32.600 -0.249 0.000 1.374 41 M HN 0.164 nan 8.290 nan 0.000 0.411 42 E N 0.683 120.797 120.200 -0.143 0.000 2.107 42 E HA -0.187 4.164 4.350 0.002 0.000 0.191 42 E C 1.650 178.226 176.600 -0.040 0.000 0.982 42 E CA 1.086 57.434 56.400 -0.086 0.000 0.809 42 E CB 0.159 29.858 29.700 -0.001 0.000 0.756 42 E HN 0.390 nan 8.360 nan 0.000 0.459 43 K N 0.207 120.589 120.400 -0.030 0.000 2.362 43 K HA -0.077 4.245 4.320 0.002 0.000 0.200 43 K C 1.363 177.955 176.600 -0.013 0.000 1.046 43 K CA 1.004 57.283 56.287 -0.014 0.000 0.952 43 K CB 0.178 32.673 32.500 -0.008 0.000 0.753 43 K HN 0.153 nan 8.250 nan 0.000 0.466 44 E N -1.256 118.931 120.200 -0.022 0.000 2.481 44 E HA 0.084 4.436 4.350 0.002 0.000 0.198 44 E C 0.757 177.348 176.600 -0.015 0.000 1.027 44 E CA 0.288 56.682 56.400 -0.010 0.000 0.900 44 E CB 0.883 30.584 29.700 0.002 0.000 0.993 44 E HN 0.395 nan 8.360 nan 0.000 0.482 45 G N 1.639 110.419 108.800 -0.034 0.000 2.217 45 G HA2 -0.304 3.657 3.960 0.002 0.000 0.246 45 G HA3 -0.304 3.657 3.960 0.002 0.000 0.246 45 G C 1.163 176.025 174.900 -0.063 0.000 0.990 45 G CA 0.533 45.614 45.100 -0.032 0.000 0.627 45 G HN 0.051 nan 8.290 nan 0.000 0.522 46 K N 0.460 120.791 120.400 -0.116 0.000 2.026 46 K HA 0.081 4.403 4.320 0.002 0.000 0.208 46 K C 1.785 178.227 176.600 -0.263 0.000 1.048 46 K CA 1.818 57.981 56.287 -0.207 0.000 0.929 46 K CB -0.435 31.828 32.500 -0.394 0.000 0.713 46 K HN 0.932 nan 8.250 nan 0.000 0.439 47 I N -2.399 117.993 120.570 -0.298 0.000 3.067 47 I HA 0.463 4.635 4.170 0.002 0.000 0.312 47 I C -0.532 175.527 176.117 -0.097 0.000 1.073 47 I CA -1.058 60.076 61.300 -0.277 0.000 1.016 47 I CB 2.477 40.203 38.000 -0.458 0.000 1.227 47 I HN -0.028 nan 8.210 nan 0.000 0.456 48 S N 1.127 116.826 115.700 -0.001 0.000 2.556 48 S HA 0.503 4.975 4.470 0.002 0.000 0.271 48 S C -0.994 173.651 174.600 0.074 0.000 1.135 48 S CA -1.101 57.136 58.200 0.062 0.000 0.858 48 S CB 1.756 64.957 63.200 0.001 0.000 1.114 48 S HN 0.715 nan 8.310 nan 0.000 0.468 49 K N 1.281 121.674 120.400 -0.012 0.000 2.382 49 K HA 0.448 4.769 4.320 0.002 0.000 0.275 49 K C -0.101 176.377 176.600 -0.204 0.000 1.009 49 K CA -0.104 56.025 56.287 -0.264 0.000 0.970 49 K CB 0.211 32.525 32.500 -0.309 0.000 0.934 49 K HN 0.687 nan 8.250 nan 0.000 0.479 50 I N -1.635 118.780 120.570 -0.258 0.000 2.846 50 I HA 0.574 4.745 4.170 0.002 0.000 0.307 50 I C 0.285 176.294 176.117 -0.180 0.000 1.053 50 I CA -1.202 59.992 61.300 -0.178 0.000 1.050 50 I CB 1.894 39.806 38.000 -0.147 0.000 1.239 50 I HN 0.512 nan 8.210 nan 0.000 0.439 51 G N 1.807 110.527 108.800 -0.133 0.000 2.528 51 G HA2 0.477 4.439 3.960 0.002 0.000 0.289 51 G HA3 0.477 4.439 3.960 0.002 0.000 0.289 51 G C -1.675 173.155 174.900 -0.117 0.000 1.192 51 G CA -1.339 43.688 45.100 -0.121 0.000 0.921 51 G HN 0.639 nan 8.290 nan 0.000 0.512 52 P HA -0.033 nan 4.420 nan 0.000 0.236 52 P C 1.180 178.423 177.300 -0.094 0.000 1.172 52 P CA 0.354 63.394 63.100 -0.099 0.000 0.759 52 P CB 0.401 32.048 31.700 -0.088 0.000 0.843 53 E N 0.857 121.004 120.200 -0.089 0.000 2.114 53 E HA -0.185 4.166 4.350 0.002 0.000 0.199 53 E C 0.746 177.282 176.600 -0.107 0.000 1.008 53 E CA 0.840 57.188 56.400 -0.087 0.000 0.810 53 E CB -0.842 28.813 29.700 -0.075 0.000 0.739 53 E HN 0.416 nan 8.360 nan 0.000 0.456 54 N N 0.904 119.539 118.700 -0.108 0.000 2.405 54 N HA -0.001 4.741 4.740 0.002 0.000 0.260 54 N C -1.962 173.442 175.510 -0.176 0.000 1.152 54 N CA -1.028 51.951 53.050 -0.119 0.000 0.948 54 N CB 1.216 39.660 38.487 -0.071 0.000 1.111 54 N HN -0.198 nan 8.380 nan 0.000 0.485 55 P HA -0.076 nan 4.420 nan 0.000 0.222 55 P C -0.835 176.210 177.300 -0.426 0.000 1.147 55 P CA 1.080 63.905 63.100 -0.459 0.000 0.790 55 P CB 0.121 31.402 31.700 -0.697 0.000 0.780 56 Y N -0.449 119.847 120.300 -0.005 0.000 2.376 56 Y HA 0.533 5.084 4.550 0.003 0.000 0.325 56 Y C 0.805 176.725 175.900 0.033 0.000 1.199 56 Y CA -0.783 57.338 58.100 0.036 0.000 1.206 56 Y CB 0.661 39.158 38.460 0.061 0.000 1.229 56 Y HN -0.225 nan 8.280 nan 0.000 0.480 57 N N -0.862 117.974 118.700 0.227 0.000 2.598 57 N HA 0.603 5.344 4.740 0.002 0.000 0.263 57 N C -1.967 173.637 175.510 0.157 0.000 1.254 57 N CA -0.462 52.680 53.050 0.153 0.000 0.863 57 N CB 1.846 40.377 38.487 0.073 0.000 1.586 57 N HN 0.572 nan 8.380 nan 0.000 0.491 58 T N 2.050 116.690 114.554 0.144 0.000 2.952 58 T HA 0.508 4.860 4.350 0.002 0.000 0.305 58 T C -2.914 171.782 174.700 -0.007 0.000 1.064 58 T CA -0.861 61.290 62.100 0.085 0.000 1.008 58 T CB 2.018 70.937 68.868 0.086 0.000 1.078 58 T HN 0.318 nan 8.240 nan 0.000 0.459 59 P HA 0.276 nan 4.420 nan 0.000 0.271 59 P C -0.540 176.670 177.300 -0.151 0.000 1.220 59 P CA -0.408 62.507 63.100 -0.309 0.000 0.768 59 P CB 0.425 31.837 31.700 -0.480 0.000 0.848 60 V N 1.626 121.452 119.914 -0.147 0.000 3.019 60 V HA 0.906 5.028 4.120 0.002 0.000 0.317 60 V C -0.570 175.706 176.094 0.304 0.000 1.094 60 V CA -0.721 61.598 62.300 0.030 0.000 1.000 60 V CB 1.528 33.302 31.823 -0.082 0.000 1.060 60 V HN 0.534 nan 8.190 nan 0.000 0.443 61 F N -0.694 119.261 119.950 0.009 0.000 3.052 61 F HA 1.025 5.553 4.527 0.003 0.000 0.323 61 F C -0.555 175.320 175.800 0.125 0.000 1.178 61 F CA -1.147 56.931 58.000 0.130 0.000 0.892 61 F CB 0.770 39.958 39.000 0.313 0.000 1.416 61 F HN 1.053 nan 8.300 nan 0.000 0.488 62 A N 0.646 123.614 122.820 0.247 0.000 2.549 62 A HA 0.857 5.179 4.320 0.002 0.000 0.297 62 A C -1.655 176.177 177.584 0.414 0.000 1.061 62 A CA -0.710 51.449 52.037 0.202 0.000 0.690 62 A CB 1.390 20.513 19.000 0.205 0.000 1.287 62 A HN 0.798 nan 8.150 nan 0.000 0.402 63 I N 0.985 121.751 120.570 0.327 0.000 2.892 63 I HA 0.421 4.592 4.170 0.002 0.000 0.306 63 I C 0.091 176.198 176.117 -0.017 0.000 1.078 63 I CA -0.964 60.463 61.300 0.212 0.000 1.032 63 I CB 2.348 40.416 38.000 0.113 0.000 1.229 63 I HN 0.848 nan 8.210 nan 0.000 0.435 64 K N 4.047 124.242 120.400 -0.343 0.000 2.270 64 K HA 0.272 4.593 4.320 0.002 0.000 0.276 64 K C -0.645 175.768 176.600 -0.312 0.000 1.023 64 K CA -0.425 55.476 56.287 -0.643 0.000 0.955 64 K CB 1.244 33.324 32.500 -0.699 0.000 0.975 64 K HN 0.505 nan 8.250 nan 0.000 0.471 65 K N 3.106 123.333 120.400 -0.288 0.000 2.267 65 K HA 0.061 4.382 4.320 0.002 0.000 0.282 65 K C -0.628 175.898 176.600 -0.125 0.000 1.078 65 K CA -0.372 55.825 56.287 -0.150 0.000 0.903 65 K CB 0.458 32.895 32.500 -0.104 0.000 1.111 65 K HN 0.601 nan 8.250 nan 0.000 0.475 66 K N 3.124 123.468 120.400 -0.092 0.000 3.035 66 K HA -0.279 4.042 4.320 0.002 0.000 0.262 66 K C -0.035 176.522 176.600 -0.072 0.000 1.024 66 K CA 1.469 57.714 56.287 -0.069 0.000 0.748 66 K CB -1.698 30.769 32.500 -0.055 0.000 1.247 66 K HN 1.159 nan 8.250 nan 0.000 0.482 67 D N -1.827 118.519 120.400 -0.089 0.000 2.758 67 D HA -0.201 4.441 4.640 0.002 0.000 0.191 67 D C 0.296 176.542 176.300 -0.089 0.000 1.036 67 D CA 1.947 55.897 54.000 -0.083 0.000 1.030 67 D CB -0.643 40.123 40.800 -0.057 0.000 1.109 67 D HN 0.530 nan 8.370 nan 0.000 0.430 68 S N -2.079 113.565 115.700 -0.093 0.000 2.602 68 S HA 0.442 4.913 4.470 0.002 0.000 0.257 68 S C 0.796 175.321 174.600 -0.125 0.000 1.250 68 S CA 0.789 58.937 58.200 -0.086 0.000 0.986 68 S CB 0.874 64.032 63.200 -0.069 0.000 1.040 68 S HN 0.258 nan 8.310 nan 0.000 0.562 69 T N 1.478 115.974 114.554 -0.098 0.000 3.248 69 T HA 0.333 4.684 4.350 0.002 0.000 0.271 69 T C -0.074 174.569 174.700 -0.094 0.000 1.005 69 T CA -0.255 61.782 62.100 -0.104 0.000 0.902 69 T CB -0.080 68.772 68.868 -0.027 0.000 1.102 69 T HN 0.295 nan 8.240 nan 0.000 0.548 70 K N 0.485 120.803 120.400 -0.137 0.000 2.211 70 K HA 0.587 4.908 4.320 0.002 0.000 0.237 70 K C -1.259 175.218 176.600 -0.205 0.000 1.002 70 K CA -0.790 55.466 56.287 -0.052 0.000 0.885 70 K CB 1.530 34.035 32.500 0.008 0.000 1.136 70 K HN 0.135 nan 8.250 nan 0.000 0.448 71 W N 0.379 121.682 121.300 0.005 0.000 2.706 71 W HA 0.485 5.146 4.660 0.002 0.000 0.346 71 W C -0.194 176.321 176.519 -0.008 0.000 1.071 71 W CA -0.602 56.745 57.345 0.003 0.000 1.206 71 W CB 1.299 30.765 29.460 0.010 0.000 1.413 71 W HN 0.344 nan 8.180 nan 0.000 0.542 72 R N 1.849 122.477 120.500 0.213 0.000 2.621 72 R HA 0.335 4.676 4.340 0.002 0.000 0.292 72 R C -0.635 175.700 176.300 0.058 0.000 0.969 72 R CA -0.946 55.215 56.100 0.101 0.000 0.887 72 R CB 1.384 31.703 30.300 0.032 0.000 1.180 72 R HN 0.431 nan 8.270 nan 0.000 0.450 73 K N 4.607 125.018 120.400 0.019 0.000 2.383 73 K HA 0.163 4.484 4.320 0.002 0.000 0.286 73 K C -0.958 175.540 176.600 -0.171 0.000 1.051 73 K CA -0.029 56.215 56.287 -0.072 0.000 0.974 73 K CB 0.406 32.874 32.500 -0.053 0.000 0.968 73 K HN 0.514 nan 8.250 nan 0.000 0.475 74 L N 5.114 126.088 121.223 -0.414 0.000 2.307 74 L HA 0.411 4.752 4.340 0.002 0.000 0.284 74 L C -0.883 175.577 176.870 -0.684 0.000 1.023 74 L CA -1.059 53.397 54.840 -0.640 0.000 0.810 74 L CB 1.922 43.292 42.059 -1.148 0.000 1.231 74 L HN 0.399 nan 8.230 nan 0.000 0.423 75 V N 1.616 121.307 119.914 -0.371 0.000 2.604 75 V HA 0.249 4.370 4.120 0.002 0.000 0.305 75 V C -0.769 175.182 176.094 -0.239 0.000 1.043 75 V CA -0.692 61.380 62.300 -0.382 0.000 0.888 75 V CB 2.036 33.465 31.823 -0.657 0.000 0.995 75 V HN 0.636 nan 8.190 nan 0.000 0.429 76 D N 2.610 122.971 120.400 -0.066 0.000 2.467 76 D HA 0.386 5.028 4.640 0.002 0.000 0.220 76 D C 0.107 176.402 176.300 -0.009 0.000 1.103 76 D CA -0.199 53.870 54.000 0.115 0.000 0.886 76 D CB 0.507 41.496 40.800 0.314 0.000 1.025 76 D HN 0.360 nan 8.370 nan 0.000 0.514 77 F N 2.131 122.198 119.950 0.194 0.000 2.765 77 F HA 0.269 4.798 4.527 0.002 0.000 0.302 77 F C 2.111 178.021 175.800 0.183 0.000 1.111 77 F CA -0.288 57.830 58.000 0.198 0.000 1.359 77 F CB -0.069 39.073 39.000 0.238 0.000 1.097 77 F HN 0.283 nan 8.300 nan 0.000 0.577 78 R N 0.480 121.157 120.500 0.295 0.000 2.259 78 R HA -0.318 4.023 4.340 0.002 0.000 0.247 78 R C 1.925 178.347 176.300 0.204 0.000 1.114 78 R CA 2.410 58.637 56.100 0.211 0.000 0.926 78 R CB -0.543 29.857 30.300 0.166 0.000 0.937 78 R HN 0.152 nan 8.270 nan 0.000 0.434 79 E N 0.192 120.516 120.200 0.207 0.000 2.158 79 E HA -0.016 4.335 4.350 0.002 0.000 0.191 79 E C 1.795 178.519 176.600 0.207 0.000 0.982 79 E CA 0.477 56.985 56.400 0.180 0.000 0.823 79 E CB -0.062 29.735 29.700 0.162 0.000 0.766 79 E HN 0.247 nan 8.360 nan 0.000 0.468 80 L N 0.505 121.906 121.223 0.296 0.000 2.027 80 L HA -0.187 4.154 4.340 0.002 0.000 0.206 80 L C 1.472 178.537 176.870 0.325 0.000 1.074 80 L CA 1.341 56.382 54.840 0.336 0.000 0.745 80 L CB -0.300 42.065 42.059 0.509 0.000 0.898 80 L HN 0.185 nan 8.230 nan 0.000 0.433 81 N N 0.518 119.404 118.700 0.310 0.000 2.104 81 N HA -0.258 4.484 4.740 0.002 0.000 0.190 81 N C 1.664 177.243 175.510 0.116 0.000 1.024 81 N CA 1.265 54.418 53.050 0.172 0.000 0.853 81 N CB -0.296 38.266 38.487 0.125 0.000 1.008 81 N HN 0.308 nan 8.380 nan 0.000 0.424 82 K N 0.886 121.359 120.400 0.122 0.000 2.280 82 K HA 0.002 4.324 4.320 0.002 0.000 0.202 82 K C 1.184 177.830 176.600 0.076 0.000 1.047 82 K CA 0.920 57.258 56.287 0.085 0.000 0.942 82 K CB 0.171 32.724 32.500 0.087 0.000 0.739 82 K HN 0.109 nan 8.250 nan 0.000 0.457 83 R N -0.183 120.377 120.500 0.100 0.000 2.397 83 R HA 0.107 4.449 4.340 0.002 0.000 0.241 83 R C -0.195 176.156 176.300 0.085 0.000 0.914 83 R CA -0.005 56.137 56.100 0.070 0.000 1.071 83 R CB 0.961 31.291 30.300 0.049 0.000 1.116 83 R HN -0.012 nan 8.270 nan 0.000 0.524 84 T N 2.026 116.660 114.554 0.134 0.000 2.882 84 T HA 0.102 4.453 4.350 0.002 0.000 0.287 84 T C -0.017 174.692 174.700 0.015 0.000 0.992 84 T CA -0.618 61.585 62.100 0.172 0.000 1.076 84 T CB 1.538 70.573 68.868 0.278 0.000 0.961 84 T HN 0.212 nan 8.240 nan 0.000 0.490 85 Q N 1.898 121.650 119.800 -0.081 0.000 2.539 85 Q HA 0.115 4.457 4.340 0.002 0.000 0.268 85 Q C -0.863 174.918 176.000 -0.365 0.000 1.109 85 Q CA -0.261 55.394 55.803 -0.247 0.000 0.968 85 Q CB 0.279 28.796 28.738 -0.368 0.000 1.309 85 Q HN 0.383 nan 8.270 nan 0.000 0.497 86 D N 0.562 120.780 120.400 -0.304 0.000 2.313 86 D HA 0.337 4.979 4.640 0.002 0.000 0.247 86 D C -0.920 175.116 176.300 -0.439 0.000 1.094 86 D CA -0.019 53.846 54.000 -0.225 0.000 0.925 86 D CB 0.436 41.183 40.800 -0.088 0.000 1.188 86 D HN 0.368 nan 8.370 nan 0.000 0.430 87 F N -0.233 119.674 119.950 -0.071 0.000 2.575 87 F HA 0.299 4.827 4.527 0.002 0.000 0.330 87 F C 0.394 176.245 175.800 0.086 0.000 1.056 87 F CA -1.245 56.742 58.000 -0.020 0.000 0.964 87 F CB 0.934 39.870 39.000 -0.106 0.000 1.258 87 F HN 0.253 nan 8.300 nan 0.000 0.484 88 W N 3.123 124.496 121.300 0.122 0.000 2.257 88 W HA 0.020 4.681 4.660 0.002 0.000 0.337 88 W C -0.004 176.553 176.519 0.062 0.000 1.321 88 W CA -0.372 57.012 57.345 0.064 0.000 1.267 88 W CB 0.627 30.117 29.460 0.050 0.000 1.187 88 W HN 0.440 nan 8.180 nan 0.000 0.565 89 E N 3.172 122.841 120.200 -0.886 0.000 2.413 89 E HA -0.060 4.292 4.350 0.002 0.000 0.263 89 E C 0.931 177.083 176.600 -0.747 0.000 1.015 89 E CA 0.025 55.978 56.400 -0.745 0.000 0.916 89 E CB 1.605 30.856 29.700 -0.750 0.000 0.947 89 E HN 0.385 nan 8.360 nan 0.000 0.440 90 V N 2.981 122.687 119.914 -0.348 0.000 2.232 90 V HA -0.219 3.902 4.120 0.002 0.000 0.237 90 V C 0.953 176.966 176.094 -0.136 0.000 1.035 90 V CA 1.574 63.764 62.300 -0.183 0.000 0.988 90 V CB -0.241 31.527 31.823 -0.091 0.000 0.636 90 V HN 0.590 nan 8.190 nan 0.000 0.456 91 Q N -0.457 119.302 119.800 -0.069 0.000 2.293 91 Q HA 0.414 4.756 4.340 0.002 0.000 0.261 91 Q C 0.441 176.423 176.000 -0.031 0.000 0.960 91 Q CA -0.314 55.497 55.803 0.013 0.000 0.882 91 Q CB 1.830 30.643 28.738 0.125 0.000 1.275 91 Q HN 0.383 nan 8.270 nan 0.000 0.445 92 L N 1.182 122.406 121.223 0.001 0.000 2.551 92 L HA 0.164 4.505 4.340 0.002 0.000 0.228 92 L C 0.851 177.735 176.870 0.024 0.000 1.153 92 L CA 0.302 55.143 54.840 0.002 0.000 0.851 92 L CB -0.249 41.842 42.059 0.054 0.000 0.959 92 L HN 0.831 nan 8.230 nan 0.000 0.451 93 G N 0.422 109.250 108.800 0.047 0.000 2.361 93 G HA2 0.237 4.198 3.960 0.002 0.000 0.305 93 G HA3 0.237 4.198 3.960 0.002 0.000 0.305 93 G C -1.627 173.320 174.900 0.078 0.000 1.367 93 G CA -0.544 44.585 45.100 0.049 0.000 0.951 93 G HN 0.031 nan 8.290 nan 0.000 0.615 94 I N -0.922 119.678 120.570 0.050 0.000 2.693 94 I HA 0.872 5.043 4.170 0.002 0.000 0.303 94 I C -2.006 174.125 176.117 0.024 0.000 1.025 94 I CA -2.418 58.917 61.300 0.059 0.000 1.086 94 I CB 2.034 40.010 38.000 -0.041 0.000 1.268 94 I HN 0.471 nan 8.210 nan 0.000 0.440 95 P HA 0.113 nan 4.420 nan 0.000 0.272 95 P C -1.151 176.118 177.300 -0.052 0.000 1.223 95 P CA 0.185 63.231 63.100 -0.091 0.000 0.784 95 P CB 0.448 31.976 31.700 -0.288 0.000 0.923 96 H N 2.297 121.215 119.070 -0.253 0.000 2.463 96 H HA 0.200 4.757 4.556 0.002 0.000 0.332 96 H C -1.750 173.261 175.328 -0.528 0.000 1.127 96 H CA -1.994 53.826 56.048 -0.381 0.000 1.238 96 H CB 1.638 31.153 29.762 -0.412 0.000 1.478 96 H HN 0.136 nan 8.280 nan 0.000 0.499 97 P HA -0.137 nan 4.420 nan 0.000 0.216 97 P C 1.082 178.081 177.300 -0.502 0.000 1.153 97 P CA 2.043 64.623 63.100 -0.867 0.000 0.858 97 P CB 0.001 30.622 31.700 -1.799 0.000 0.789 98 A N -0.556 122.082 122.820 -0.304 0.000 2.139 98 A HA -0.073 4.248 4.320 0.002 0.000 0.221 98 A C 2.211 179.991 177.584 0.327 0.000 1.159 98 A CA 1.914 54.047 52.037 0.160 0.000 0.662 98 A CB -1.560 17.578 19.000 0.229 0.000 0.796 98 A HN 0.345 nan 8.150 nan 0.000 0.463 99 G N -1.742 107.049 108.800 -0.014 0.000 3.020 99 G HA2 0.400 4.362 3.960 0.002 0.000 0.217 99 G HA3 0.400 4.362 3.960 0.002 0.000 0.217 99 G C 0.190 175.128 174.900 0.064 0.000 1.144 99 G CA -0.257 44.792 45.100 -0.086 0.000 0.760 99 G HN 0.254 nan 8.290 nan 0.000 0.548 100 L N 1.504 122.744 121.223 0.029 0.000 2.397 100 L HA 0.336 4.677 4.340 0.002 0.000 0.271 100 L C 0.516 177.363 176.870 -0.038 0.000 1.148 100 L CA -0.216 54.557 54.840 -0.112 0.000 0.825 100 L CB 1.060 42.916 42.059 -0.339 0.000 1.117 100 L HN 0.056 nan 8.230 nan 0.000 0.456 101 K N 1.996 122.328 120.400 -0.114 0.000 2.090 101 K HA 0.330 4.652 4.320 0.002 0.000 0.250 101 K C -0.235 176.176 176.600 -0.314 0.000 1.004 101 K CA -0.835 55.407 56.287 -0.074 0.000 0.919 101 K CB 0.779 33.265 32.500 -0.022 0.000 1.045 101 K HN 0.482 nan 8.250 nan 0.000 0.471 102 K N 1.150 121.467 120.400 -0.138 0.000 2.218 102 K HA 0.217 4.538 4.320 0.002 0.000 0.276 102 K C -0.487 176.055 176.600 -0.097 0.000 1.022 102 K CA -0.452 55.763 56.287 -0.120 0.000 0.946 102 K CB 0.630 33.217 32.500 0.145 0.000 1.000 102 K HN 0.328 nan 8.250 nan 0.000 0.468 103 N N 2.075 120.721 118.700 -0.089 0.000 2.225 103 N HA 0.138 4.879 4.740 0.002 0.000 0.298 103 N C -0.125 175.376 175.510 -0.014 0.000 1.076 103 N CA -0.763 52.252 53.050 -0.059 0.000 0.792 103 N CB 1.979 40.409 38.487 -0.096 0.000 1.498 103 N HN 0.533 nan 8.380 nan 0.000 0.474 104 K N 0.295 120.679 120.400 -0.027 0.000 2.025 104 K HA -0.004 4.317 4.320 0.002 0.000 0.207 104 K C 0.456 177.028 176.600 -0.047 0.000 1.049 104 K CA 1.123 57.398 56.287 -0.020 0.000 0.933 104 K CB -0.026 32.456 32.500 -0.029 0.000 0.714 104 K HN 0.631 nan 8.250 nan 0.000 0.438 105 S N 0.034 115.638 115.700 -0.160 0.000 2.541 105 S HA 0.585 5.056 4.470 0.002 0.000 0.280 105 S C -0.582 173.810 174.600 -0.347 0.000 1.112 105 S CA -1.041 57.000 58.200 -0.266 0.000 0.925 105 S CB 2.533 65.448 63.200 -0.476 0.000 1.067 105 S HN -0.106 nan 8.310 nan 0.000 0.479 106 V N 1.331 121.163 119.914 -0.138 0.000 2.841 106 V HA 0.859 4.981 4.120 0.002 0.000 0.310 106 V C -0.340 175.707 176.094 -0.078 0.000 1.090 106 V CA -0.447 61.764 62.300 -0.148 0.000 0.930 106 V CB 2.037 33.661 31.823 -0.333 0.000 1.014 106 V HN 1.114 nan 8.190 nan 0.000 0.425 107 T N 2.718 117.256 114.554 -0.026 0.000 2.916 107 T HA 0.658 5.009 4.350 0.002 0.000 0.298 107 T C -1.374 173.249 174.700 -0.128 0.000 1.031 107 T CA -0.384 61.707 62.100 -0.015 0.000 0.993 107 T CB 1.704 70.649 68.868 0.129 0.000 1.045 107 T HN 0.405 nan 8.240 nan 0.000 0.454 108 V N 6.269 126.092 119.914 -0.151 0.000 2.350 108 V HA 0.464 4.585 4.120 0.002 0.000 0.276 108 V C -0.057 175.916 176.094 -0.202 0.000 1.028 108 V CA -0.628 61.525 62.300 -0.245 0.000 0.860 108 V CB 0.869 32.562 31.823 -0.217 0.000 0.990 108 V HN 0.771 nan 8.190 nan 0.000 0.453 109 L N 4.448 125.535 121.223 -0.227 0.000 2.295 109 L HA 0.546 4.887 4.340 0.002 0.000 0.285 109 L C -0.311 176.454 176.870 -0.175 0.000 1.035 109 L CA -0.467 54.268 54.840 -0.174 0.000 0.806 109 L CB 1.728 43.701 42.059 -0.144 0.000 1.214 109 L HN 0.646 nan 8.230 nan 0.000 0.426 110 D N 2.588 122.908 120.400 -0.133 0.000 2.349 110 D HA 0.308 4.949 4.640 0.002 0.000 0.232 110 D C -0.662 175.596 176.300 -0.070 0.000 1.071 110 D CA -0.452 53.484 54.000 -0.107 0.000 0.832 110 D CB 1.682 42.429 40.800 -0.088 0.000 1.086 110 D HN 0.115 nan 8.370 nan 0.000 0.504 111 V N 4.281 124.164 119.914 -0.053 0.000 2.421 111 V HA 0.396 4.517 4.120 0.002 0.000 0.271 111 V C 1.414 177.484 176.094 -0.041 0.000 1.031 111 V CA -0.204 62.091 62.300 -0.008 0.000 1.032 111 V CB 0.594 32.471 31.823 0.089 0.000 1.009 111 V HN 0.712 nan 8.190 nan 0.000 0.477 112 G N 2.919 111.708 108.800 -0.018 0.000 2.406 112 G HA2 0.383 4.345 3.960 0.002 0.000 0.251 112 G HA3 0.383 4.345 3.960 0.002 0.000 0.251 112 G C 0.065 174.948 174.900 -0.028 0.000 1.271 112 G CA -0.304 44.777 45.100 -0.031 0.000 0.859 112 G HN 0.955 nan 8.290 nan 0.000 0.540 113 D N 0.323 120.671 120.400 -0.086 0.000 2.701 113 D HA -0.241 4.400 4.640 0.002 0.000 0.235 113 D C 1.721 177.979 176.300 -0.070 0.000 1.155 113 D CA 1.039 54.979 54.000 -0.100 0.000 0.649 113 D CB -0.962 39.859 40.800 0.035 0.000 1.050 113 D HN 0.680 nan 8.370 nan 0.000 0.425 114 A N -0.315 122.392 122.820 -0.188 0.000 1.881 114 A HA -0.329 3.993 4.320 0.002 0.000 0.219 114 A C 1.814 179.448 177.584 0.084 0.000 1.215 114 A CA 1.796 53.734 52.037 -0.165 0.000 0.648 114 A CB -0.713 17.769 19.000 -0.864 0.000 0.832 114 A HN 0.462 nan 8.150 nan 0.000 0.455 115 Y N -1.138 119.026 120.300 -0.228 0.000 2.181 115 Y HA -0.110 4.441 4.550 0.003 0.000 0.288 115 Y C 2.240 178.310 175.900 0.283 0.000 1.146 115 Y CA 0.393 58.497 58.100 0.007 0.000 1.164 115 Y CB -1.212 37.180 38.460 -0.114 0.000 0.982 115 Y HN 0.421 nan 8.280 nan 0.000 0.515 116 F N -0.875 119.215 119.950 0.233 0.000 2.771 116 F HA -0.085 4.444 4.527 0.003 0.000 0.299 116 F C 1.730 177.628 175.800 0.164 0.000 1.177 116 F CA 0.194 58.307 58.000 0.188 0.000 1.450 116 F CB -0.013 39.073 39.000 0.144 0.000 1.114 116 F HN -0.053 nan 8.300 nan 0.000 0.587 117 S N -0.438 115.482 115.700 0.366 0.000 2.556 117 S HA 0.113 4.584 4.470 0.002 0.000 0.216 117 S C 0.379 175.127 174.600 0.246 0.000 0.970 117 S CA 0.028 58.389 58.200 0.269 0.000 0.912 117 S CB 0.364 63.709 63.200 0.242 0.000 0.790 117 S HN -0.103 nan 8.310 nan 0.000 0.504 118 V N 4.806 124.890 119.914 0.283 0.000 2.417 118 V HA 0.370 4.491 4.120 0.002 0.000 0.291 118 V C -2.363 173.832 176.094 0.169 0.000 1.024 118 V CA -2.335 60.090 62.300 0.209 0.000 0.861 118 V CB 1.621 33.582 31.823 0.229 0.000 0.985 118 V HN 0.079 nan 8.190 nan 0.000 0.436 119 P HA 0.128 nan 4.420 nan 0.000 0.269 119 P C -0.894 176.459 177.300 0.088 0.000 1.215 119 P CA -0.128 63.033 63.100 0.102 0.000 0.780 119 P CB 1.242 32.995 31.700 0.088 0.000 0.898 120 L N 2.054 123.321 121.223 0.074 0.000 2.334 120 L HA 0.421 4.762 4.340 0.002 0.000 0.273 120 L C -0.146 176.765 176.870 0.068 0.000 1.013 120 L CA -0.611 54.256 54.840 0.044 0.000 0.816 120 L CB 1.586 43.644 42.059 -0.001 0.000 1.278 120 L HN 0.329 nan 8.230 nan 0.000 0.431 121 D N 2.398 122.846 120.400 0.079 0.000 2.472 121 D HA -0.099 4.543 4.640 0.002 0.000 0.248 121 D C 1.010 177.390 176.300 0.133 0.000 1.174 121 D CA 0.484 54.551 54.000 0.111 0.000 0.883 121 D CB 1.055 41.932 40.800 0.129 0.000 1.149 121 D HN 0.676 nan 8.370 nan 0.000 0.488 122 E N 2.840 123.099 120.200 0.097 0.000 2.097 122 E HA -0.251 4.100 4.350 0.002 0.000 0.196 122 E C 0.837 177.484 176.600 0.078 0.000 1.000 122 E CA 1.900 58.345 56.400 0.074 0.000 0.804 122 E CB 0.065 29.799 29.700 0.055 0.000 0.740 122 E HN 0.537 nan 8.360 nan 0.000 0.454 123 D N -0.925 119.543 120.400 0.114 0.000 2.312 123 D HA -0.111 4.531 4.640 0.002 0.000 0.211 123 D C 1.168 177.564 176.300 0.160 0.000 0.964 123 D CA 0.586 54.655 54.000 0.116 0.000 0.877 123 D CB -0.170 40.718 40.800 0.147 0.000 0.924 123 D HN 0.278 nan 8.370 nan 0.000 0.515 124 F N 1.089 121.078 119.950 0.066 0.000 2.746 124 F HA 0.169 4.698 4.527 0.003 0.000 0.297 124 F C 1.979 177.789 175.800 0.017 0.000 1.113 124 F CA -0.038 58.052 58.000 0.149 0.000 1.367 124 F CB 0.268 39.352 39.000 0.139 0.000 1.111 124 F HN -0.270 nan 8.300 nan 0.000 0.590 125 R N 0.894 121.414 120.500 0.033 0.000 2.091 125 R HA -0.190 4.151 4.340 0.002 0.000 0.238 125 R C 2.069 178.290 176.300 -0.131 0.000 1.136 125 R CA 1.981 58.073 56.100 -0.013 0.000 0.959 125 R CB -0.394 29.919 30.300 0.022 0.000 0.856 125 R HN 0.347 nan 8.270 nan 0.000 0.437 126 K N -0.159 120.076 120.400 -0.275 0.000 2.160 126 K HA -0.185 4.137 4.320 0.002 0.000 0.206 126 K C 1.296 177.704 176.600 -0.320 0.000 1.047 126 K CA 1.679 57.791 56.287 -0.292 0.000 0.930 126 K CB -0.491 31.795 32.500 -0.357 0.000 0.720 126 K HN 0.228 nan 8.250 nan 0.000 0.450 127 Y N 2.187 122.257 120.300 -0.384 0.000 2.632 127 Y HA -0.047 4.504 4.550 0.002 0.000 0.301 127 Y C 1.920 177.699 175.900 -0.202 0.000 1.172 127 Y CA 0.985 58.778 58.100 -0.511 0.000 1.328 127 Y CB -0.563 37.333 38.460 -0.940 0.000 1.016 127 Y HN 0.308 nan 8.280 nan 0.000 0.529 128 T N -3.310 111.267 114.554 0.038 0.000 3.092 128 T HA 0.498 4.850 4.350 0.002 0.000 0.258 128 T C 0.876 175.828 174.700 0.419 0.000 1.031 128 T CA -0.043 62.221 62.100 0.273 0.000 0.925 128 T CB -0.364 68.662 68.868 0.263 0.000 1.036 128 T HN 0.187 nan 8.240 nan 0.000 0.544 129 A N 2.113 125.085 122.820 0.252 0.000 2.566 129 A HA 0.483 4.805 4.320 0.002 0.000 0.245 129 A C 0.021 177.779 177.584 0.290 0.000 1.056 129 A CA -0.254 51.898 52.037 0.192 0.000 0.757 129 A CB -0.809 18.246 19.000 0.092 0.000 0.979 129 A HN 0.725 nan 8.150 nan 0.000 0.508 130 F N 0.491 120.505 119.950 0.106 0.000 2.611 130 F HA 0.845 5.373 4.527 0.002 0.000 0.324 130 F C 0.094 175.917 175.800 0.038 0.000 1.061 130 F CA -0.699 57.333 58.000 0.053 0.000 0.954 130 F CB 1.404 40.430 39.000 0.043 0.000 1.301 130 F HN 0.492 nan 8.300 nan 0.000 0.482 131 T N 0.004 114.612 114.554 0.089 0.000 2.824 131 T HA 0.667 5.018 4.350 0.002 0.000 0.282 131 T C -0.621 174.115 174.700 0.060 0.000 0.993 131 T CA -0.586 61.495 62.100 -0.032 0.000 0.967 131 T CB 1.024 69.856 68.868 -0.060 0.000 0.960 131 T HN 0.722 nan 8.240 nan 0.000 0.441 132 I N 5.463 126.066 120.570 0.055 0.000 2.379 132 I HA 0.267 4.438 4.170 0.002 0.000 0.290 132 I C -1.847 174.271 176.117 0.001 0.000 1.063 132 I CA -2.306 59.037 61.300 0.072 0.000 1.351 132 I CB 0.889 38.956 38.000 0.111 0.000 1.410 132 I HN 0.428 nan 8.210 nan 0.000 0.505 133 P HA 0.055 nan 4.420 nan 0.000 0.271 133 P C -0.255 177.037 177.300 -0.014 0.000 1.216 133 P CA -0.252 62.834 63.100 -0.024 0.000 0.776 133 P CB 0.935 32.619 31.700 -0.027 0.000 0.881 134 S N 3.228 118.917 115.700 -0.018 0.000 2.614 134 S HA 0.287 4.758 4.470 0.002 0.000 0.265 134 S C 0.670 175.268 174.600 -0.005 0.000 1.303 134 S CA -0.807 57.384 58.200 -0.015 0.000 1.000 134 S CB 0.010 63.198 63.200 -0.021 0.000 0.935 134 S HN 0.338 nan 8.310 nan 0.000 0.551 135 I N 2.522 123.089 120.570 -0.005 0.000 2.821 135 I HA -0.089 4.082 4.170 0.002 0.000 0.294 135 I C 0.527 176.649 176.117 0.008 0.000 1.210 135 I CA 0.362 61.664 61.300 0.003 0.000 1.430 135 I CB -0.529 37.470 38.000 -0.001 0.000 1.356 135 I HN 0.712 nan 8.210 nan 0.000 0.563 136 N N 4.682 123.393 118.700 0.019 0.000 2.661 136 N HA -0.290 4.452 4.740 0.002 0.000 0.249 136 N C 0.493 176.016 175.510 0.021 0.000 1.142 136 N CA 1.395 54.459 53.050 0.023 0.000 0.727 136 N CB -1.483 37.014 38.487 0.017 0.000 1.099 136 N HN 0.817 nan 8.380 nan 0.000 0.558 137 N N -1.161 117.549 118.700 0.017 0.000 2.713 137 N HA -0.240 4.502 4.740 0.002 0.000 0.251 137 N C 0.769 176.281 175.510 0.003 0.000 1.117 137 N CA 1.397 54.454 53.050 0.011 0.000 0.770 137 N CB -0.161 38.340 38.487 0.024 0.000 1.137 137 N HN 0.455 nan 8.380 nan 0.000 0.566 138 E N -0.744 119.456 120.200 0.001 0.000 2.051 138 E HA -0.114 4.238 4.350 0.002 0.000 0.192 138 E C 1.076 177.671 176.600 -0.010 0.000 0.991 138 E CA 1.398 57.797 56.400 -0.003 0.000 0.799 138 E CB -0.088 29.610 29.700 -0.003 0.000 0.748 138 E HN 0.424 nan 8.360 nan 0.000 0.449 139 T N 0.663 115.208 114.554 -0.015 0.000 2.950 139 T HA 0.375 4.726 4.350 0.002 0.000 0.288 139 T C -2.671 172.011 174.700 -0.030 0.000 1.035 139 T CA -2.451 59.635 62.100 -0.023 0.000 1.028 139 T CB 1.525 70.377 68.868 -0.026 0.000 1.109 139 T HN -0.267 nan 8.240 nan 0.000 0.514 140 P HA 0.303 nan 4.420 nan 0.000 0.269 140 P C -0.065 177.198 177.300 -0.062 0.000 1.209 140 P CA -0.167 62.903 63.100 -0.051 0.000 0.776 140 P CB 0.250 31.915 31.700 -0.058 0.000 0.876 141 G N 1.785 110.542 108.800 -0.071 0.000 2.557 141 G HA2 0.444 4.405 3.960 0.002 0.000 0.292 141 G HA3 0.444 4.405 3.960 0.002 0.000 0.292 141 G C -0.555 174.271 174.900 -0.123 0.000 1.237 141 G CA -0.550 44.503 45.100 -0.079 0.000 0.978 141 G HN 0.376 nan 8.290 nan 0.000 0.498 142 I N 0.584 121.073 120.570 -0.134 0.000 2.371 142 I HA 0.311 4.483 4.170 0.002 0.000 0.290 142 I C 0.403 176.302 176.117 -0.364 0.000 1.028 142 I CA -0.132 61.016 61.300 -0.252 0.000 1.345 142 I CB 0.882 38.765 38.000 -0.194 0.000 1.407 142 I HN 0.336 nan 8.210 nan 0.000 0.501 143 R N 6.196 126.386 120.500 -0.517 0.000 2.445 143 R HA 0.613 4.955 4.340 0.002 0.000 0.308 143 R C -1.419 174.444 176.300 -0.729 0.000 0.961 143 R CA -0.684 55.116 56.100 -0.501 0.000 0.862 143 R CB 1.865 31.978 30.300 -0.312 0.000 1.144 143 R HN 0.401 nan 8.270 nan 0.000 0.447 144 Y N 0.536 120.418 120.300 -0.698 0.000 2.576 144 Y HA 0.268 4.819 4.550 0.003 0.000 0.346 144 Y C 0.026 175.618 175.900 -0.513 0.000 1.018 144 Y CA -0.922 56.767 58.100 -0.685 0.000 1.050 144 Y CB 2.293 40.173 38.460 -0.966 0.000 1.280 144 Y HN 0.479 nan 8.280 nan 0.000 0.474 145 Q N 0.053 119.817 119.800 -0.059 0.000 2.423 145 Q HA 0.527 4.868 4.340 0.002 0.000 0.278 145 Q C -1.975 174.071 176.000 0.077 0.000 1.097 145 Q CA -1.093 54.755 55.803 0.075 0.000 0.809 145 Q CB 2.105 30.863 28.738 0.034 0.000 1.391 145 Q HN 0.666 nan 8.270 nan 0.000 0.428 146 Y N 1.269 121.649 120.300 0.133 0.000 2.336 146 Y HA 0.154 4.706 4.550 0.002 0.000 0.331 146 Y C 0.916 176.818 175.900 0.003 0.000 1.211 146 Y CA 0.334 58.469 58.100 0.059 0.000 1.346 146 Y CB 0.913 39.398 38.460 0.041 0.000 1.271 146 Y HN 0.739 nan 8.280 nan 0.000 0.538 147 N N 0.679 119.449 118.700 0.116 0.000 2.227 147 N HA 0.089 4.830 4.740 0.002 0.000 0.196 147 N C -0.567 175.002 175.510 0.099 0.000 1.142 147 N CA 0.425 53.520 53.050 0.076 0.000 0.887 147 N CB 0.935 39.438 38.487 0.025 0.000 1.022 147 N HN 0.375 nan 8.380 nan 0.000 0.500 148 V N -2.201 117.806 119.914 0.155 0.000 3.164 148 V HA 0.543 4.664 4.120 0.002 0.000 0.313 148 V C 0.047 176.236 176.094 0.158 0.000 1.188 148 V CA -1.159 61.241 62.300 0.166 0.000 1.058 148 V CB 1.421 33.362 31.823 0.198 0.000 1.110 148 V HN -0.157 nan 8.190 nan 0.000 0.453 149 L N 3.222 124.543 121.223 0.163 0.000 2.500 149 L HA 0.319 4.660 4.340 0.002 0.000 0.272 149 L C -2.105 174.830 176.870 0.107 0.000 1.149 149 L CA -1.135 53.736 54.840 0.051 0.000 0.897 149 L CB 0.273 42.345 42.059 0.021 0.000 1.178 149 L HN 0.513 nan 8.230 nan 0.000 0.473 150 P HA 0.058 nan 4.420 nan 0.000 0.279 150 P C -0.848 176.498 177.300 0.076 0.000 1.239 150 P CA -0.565 62.420 63.100 -0.192 0.000 0.789 150 P CB 0.664 31.828 31.700 -0.894 0.000 0.933 151 Q N 1.404 121.401 119.800 0.329 0.000 2.263 151 Q HA 0.186 4.528 4.340 0.002 0.000 0.289 151 Q C 1.470 177.638 176.000 0.279 0.000 1.061 151 Q CA 1.555 57.538 55.803 0.300 0.000 0.927 151 Q CB -0.125 28.717 28.738 0.173 0.000 1.154 151 Q HN 0.945 nan 8.270 nan 0.000 0.378 152 G N 2.603 111.533 108.800 0.216 0.000 2.213 152 G HA2 -0.258 3.704 3.960 0.002 0.000 0.236 152 G HA3 -0.258 3.704 3.960 0.002 0.000 0.236 152 G C -0.245 174.765 174.900 0.183 0.000 0.991 152 G CA -0.020 45.230 45.100 0.250 0.000 0.629 152 G HN 0.604 nan 8.290 nan 0.000 0.517 153 W N 1.897 122.986 121.300 -0.351 0.000 2.161 153 W HA 0.604 5.265 4.660 0.002 0.000 0.344 153 W C 1.449 177.770 176.519 -0.330 0.000 1.262 153 W CA 0.123 57.123 57.345 -0.575 0.000 1.270 153 W CB 0.818 29.757 29.460 -0.868 0.000 1.126 153 W HN 0.030 nan 8.180 nan 0.000 0.598 154 K N 1.685 121.448 120.400 -1.062 0.000 2.155 154 K HA -0.032 4.289 4.320 0.002 0.000 0.203 154 K C 1.634 177.549 176.600 -1.140 0.000 1.052 154 K CA 1.577 57.352 56.287 -0.853 0.000 0.948 154 K CB -0.505 31.618 32.500 -0.630 0.000 0.728 154 K HN 0.710 nan 8.250 nan 0.000 0.448 155 G N -0.531 106.998 108.800 -2.118 0.000 3.042 155 G HA2 -0.036 3.925 3.960 0.002 0.000 0.212 155 G HA3 -0.036 3.925 3.960 0.002 0.000 0.212 155 G C 1.121 175.355 174.900 -1.111 0.000 1.166 155 G CA -0.102 43.675 45.100 -2.205 0.000 0.767 155 G HN 0.180 nan 8.290 nan 0.000 0.546 156 S N 1.659 116.951 115.700 -0.680 0.000 2.355 156 S HA -0.052 4.420 4.470 0.002 0.000 0.222 156 S C -0.013 174.259 174.600 -0.546 0.000 1.031 156 S CA 1.217 59.076 58.200 -0.568 0.000 0.993 156 S CB -0.578 62.056 63.200 -0.944 0.000 0.859 156 S HN 0.269 nan 8.310 nan 0.000 0.453 157 P HA -0.011 nan 4.420 nan 0.000 0.215 157 P C 1.370 178.612 177.300 -0.097 0.000 1.153 157 P CA 1.397 64.427 63.100 -0.118 0.000 0.853 157 P CB -0.099 31.537 31.700 -0.107 0.000 0.788 158 A N -0.820 121.850 122.820 -0.251 0.000 1.929 158 A HA -0.107 4.215 4.320 0.002 0.000 0.216 158 A C 2.188 179.704 177.584 -0.114 0.000 1.176 158 A CA 1.188 53.118 52.037 -0.179 0.000 0.628 158 A CB -1.391 17.456 19.000 -0.254 0.000 0.816 158 A HN 0.093 nan 8.150 nan 0.000 0.444 159 I N -2.007 118.451 120.570 -0.187 0.000 2.500 159 I HA -0.121 4.050 4.170 0.002 0.000 0.252 159 I C 2.281 178.396 176.117 -0.003 0.000 1.142 159 I CA 0.976 62.229 61.300 -0.077 0.000 1.451 159 I CB -0.361 37.593 38.000 -0.076 0.000 1.093 159 I HN 0.432 nan 8.210 nan 0.000 0.430 160 F N 2.061 121.964 119.950 -0.078 0.000 2.146 160 F HA -0.213 4.315 4.527 0.002 0.000 0.298 160 F C 2.678 178.476 175.800 -0.003 0.000 1.096 160 F CA 1.554 59.557 58.000 0.005 0.000 1.275 160 F CB -0.079 38.992 39.000 0.118 0.000 1.008 160 F HN 0.001 nan 8.300 nan 0.000 0.480 161 Q N -0.326 119.527 119.800 0.089 0.000 2.079 161 Q HA -0.169 4.172 4.340 0.002 0.000 0.200 161 Q C 2.554 178.503 176.000 -0.084 0.000 0.974 161 Q CA 1.549 57.359 55.803 0.013 0.000 0.840 161 Q CB -0.965 27.811 28.738 0.063 0.000 0.898 161 Q HN 0.459 nan 8.270 nan 0.000 0.430 162 S N 0.209 115.877 115.700 -0.053 0.000 2.368 162 S HA -0.107 4.364 4.470 0.002 0.000 0.224 162 S C 2.167 176.695 174.600 -0.119 0.000 1.029 162 S CA 1.423 59.596 58.200 -0.045 0.000 0.988 162 S CB -0.006 63.197 63.200 0.004 0.000 0.838 162 S HN 0.275 nan 8.310 nan 0.000 0.462 163 S N 1.220 116.813 115.700 -0.178 0.000 2.359 163 S HA -0.121 4.350 4.470 0.002 0.000 0.224 163 S C 1.843 176.254 174.600 -0.315 0.000 1.035 163 S CA 1.816 59.877 58.200 -0.232 0.000 1.018 163 S CB -0.476 62.572 63.200 -0.254 0.000 0.876 163 S HN 0.659 nan 8.310 nan 0.000 0.448 164 M N 1.336 120.671 119.600 -0.441 0.000 2.279 164 M HA -0.063 4.419 4.480 0.002 0.000 0.264 164 M C 1.728 177.894 176.300 -0.224 0.000 1.062 164 M CA 1.412 56.478 55.300 -0.390 0.000 1.099 164 M CB -0.609 31.716 32.600 -0.459 0.000 1.394 164 M HN 0.139 nan 8.290 nan 0.000 0.426 165 T N 0.193 114.646 114.554 -0.168 0.000 2.942 165 T HA -0.019 4.333 4.350 0.002 0.000 0.265 165 T C 1.716 176.351 174.700 -0.109 0.000 1.062 165 T CA 1.006 63.048 62.100 -0.098 0.000 1.139 165 T CB -0.041 68.798 68.868 -0.048 0.000 0.883 165 T HN 0.428 nan 8.240 nan 0.000 0.468 166 K N 0.941 121.251 120.400 -0.151 0.000 2.025 166 K HA 0.055 4.376 4.320 0.002 0.000 0.207 166 K C 2.175 178.619 176.600 -0.260 0.000 1.049 166 K CA 1.114 57.294 56.287 -0.178 0.000 0.933 166 K CB -0.331 32.052 32.500 -0.195 0.000 0.714 166 K HN 0.323 nan 8.250 nan 0.000 0.438 167 I N 0.943 121.298 120.570 -0.359 0.000 2.286 167 I HA -0.253 3.919 4.170 0.002 0.000 0.248 167 I C 2.061 178.072 176.117 -0.177 0.000 1.115 167 I CA 0.654 61.653 61.300 -0.501 0.000 1.392 167 I CB -0.115 37.565 38.000 -0.534 0.000 1.065 167 I HN 0.066 nan 8.210 nan 0.000 0.418 168 L N 0.584 121.745 121.223 -0.103 0.000 2.275 168 L HA -0.160 4.181 4.340 0.002 0.000 0.215 168 L C 2.323 179.244 176.870 0.084 0.000 1.119 168 L CA 1.587 56.441 54.840 0.023 0.000 0.790 168 L CB -0.993 41.061 42.059 -0.010 0.000 0.919 168 L HN 0.186 nan 8.230 nan 0.000 0.443 169 E N -0.032 120.177 120.200 0.014 0.000 2.051 169 E HA -0.157 4.195 4.350 0.002 0.000 0.192 169 E C -0.530 176.088 176.600 0.030 0.000 0.991 169 E CA 1.501 57.910 56.400 0.014 0.000 0.799 169 E CB -1.052 28.633 29.700 -0.025 0.000 0.748 169 E HN 0.262 nan 8.360 nan 0.000 0.449 170 P HA -0.114 nan 4.420 nan 0.000 0.215 170 P C 1.271 178.554 177.300 -0.028 0.000 1.157 170 P CA 1.113 64.207 63.100 -0.010 0.000 0.868 170 P CB -0.240 31.451 31.700 -0.015 0.000 0.788 171 F N 0.770 120.621 119.950 -0.164 0.000 2.126 171 F HA -0.198 4.330 4.527 0.001 0.000 0.299 171 F C 2.280 178.041 175.800 -0.065 0.000 1.096 171 F CA 1.574 59.482 58.000 -0.153 0.000 1.255 171 F CB -0.337 38.603 39.000 -0.100 0.000 0.997 171 F HN -0.280 nan 8.300 nan 0.000 0.479 172 R N 0.171 120.770 120.500 0.165 0.000 2.083 172 R HA -0.201 4.140 4.340 0.002 0.000 0.237 172 R C 2.305 178.580 176.300 -0.041 0.000 1.137 172 R CA 1.768 57.912 56.100 0.073 0.000 0.951 172 R CB -0.493 29.864 30.300 0.095 0.000 0.851 172 R HN 0.251 nan 8.270 nan 0.000 0.434 173 K N 0.715 121.090 120.400 -0.042 0.000 2.365 173 K HA -0.128 4.194 4.320 0.002 0.000 0.199 173 K C 1.404 177.948 176.600 -0.093 0.000 1.045 173 K CA 1.079 57.335 56.287 -0.052 0.000 0.962 173 K CB 0.291 32.770 32.500 -0.035 0.000 0.759 173 K HN 0.259 nan 8.250 nan 0.000 0.469 174 Q N -0.790 118.912 119.800 -0.163 0.000 2.281 174 Q HA 0.079 4.420 4.340 0.002 0.000 0.215 174 Q C -0.381 175.463 176.000 -0.261 0.000 0.867 174 Q CA 0.219 55.902 55.803 -0.200 0.000 0.940 174 Q CB 0.704 29.302 28.738 -0.232 0.000 1.111 174 Q HN 0.165 nan 8.270 nan 0.000 0.513 175 N N 0.268 118.787 118.700 -0.301 0.000 2.679 175 N HA 0.130 4.871 4.740 0.002 0.000 0.302 175 N C -2.394 173.032 175.510 -0.141 0.000 1.941 175 N CA -0.939 51.938 53.050 -0.289 0.000 0.875 175 N CB 1.255 39.410 38.487 -0.553 0.000 1.278 175 N HN -0.040 nan 8.380 nan 0.000 0.490 176 P HA -0.087 nan 4.420 nan 0.000 0.222 176 P C 0.379 177.666 177.300 -0.023 0.000 1.147 176 P CA 1.080 64.154 63.100 -0.043 0.000 0.790 176 P CB 0.352 32.030 31.700 -0.036 0.000 0.780 177 D N -0.797 119.585 120.400 -0.030 0.000 2.347 177 D HA 0.020 4.662 4.640 0.002 0.000 0.213 177 D C 0.891 177.195 176.300 0.007 0.000 0.985 177 D CA 0.373 54.366 54.000 -0.012 0.000 0.879 177 D CB 0.155 40.947 40.800 -0.015 0.000 0.919 177 D HN 0.268 nan 8.370 nan 0.000 0.526 178 I N -0.253 120.324 120.570 0.013 0.000 2.460 178 I HA 0.330 4.502 4.170 0.002 0.000 0.298 178 I C -1.008 175.158 176.117 0.081 0.000 0.989 178 I CA -0.760 60.577 61.300 0.061 0.000 1.173 178 I CB 2.207 40.265 38.000 0.097 0.000 1.338 178 I HN -0.368 nan 8.210 nan 0.000 0.456 179 V N 8.028 127.993 119.914 0.085 0.000 2.555 179 V HA 0.629 4.750 4.120 0.002 0.000 0.302 179 V C -0.582 175.572 176.094 0.100 0.000 1.038 179 V CA -0.550 61.794 62.300 0.074 0.000 0.887 179 V CB 1.694 33.530 31.823 0.022 0.000 0.991 179 V HN 0.720 nan 8.190 nan 0.000 0.434 180 I N 6.537 127.178 120.570 0.120 0.000 2.533 180 I HA 0.412 4.584 4.170 0.002 0.000 0.290 180 I C -1.646 174.582 176.117 0.186 0.000 1.056 180 I CA -0.783 60.599 61.300 0.136 0.000 1.057 180 I CB 2.051 40.122 38.000 0.118 0.000 1.240 180 I HN 0.683 nan 8.210 nan 0.000 0.423 181 Y N 6.357 126.708 120.300 0.085 0.000 2.341 181 Y HA 0.443 4.994 4.550 0.002 0.000 0.338 181 Y C -0.780 175.264 175.900 0.240 0.000 0.965 181 Y CA -0.694 57.473 58.100 0.112 0.000 1.108 181 Y CB 1.448 39.913 38.460 0.008 0.000 1.180 181 Y HN 0.548 nan 8.280 nan 0.000 0.458 182 Q N 5.273 124.822 119.800 -0.418 0.000 2.293 182 Q HA 0.435 4.776 4.340 0.002 0.000 0.261 182 Q C -2.039 173.723 176.000 -0.398 0.000 0.960 182 Q CA -1.015 54.636 55.803 -0.255 0.000 0.882 182 Q CB 2.622 31.305 28.738 -0.092 0.000 1.275 182 Q HN 0.748 nan 8.270 nan 0.000 0.445 183 Y N 4.172 124.365 120.300 -0.178 0.000 2.307 183 Y HA 0.319 4.870 4.550 0.002 0.000 0.323 183 Y C -0.037 175.906 175.900 0.071 0.000 1.100 183 Y CA -0.643 57.431 58.100 -0.043 0.000 1.140 183 Y CB 0.917 39.444 38.460 0.112 0.000 1.159 183 Y HN 1.024 nan 8.280 nan 0.000 0.436 184 M N 1.543 120.866 119.600 -0.462 0.000 7.319 184 M HA -0.435 4.047 4.480 0.002 0.000 0.312 184 M C 0.432 176.607 176.300 -0.210 0.000 0.480 184 M CA 2.238 57.298 55.300 -0.401 0.000 1.311 184 M CB -0.946 31.286 32.600 -0.612 0.000 0.421 184 M HN 0.623 nan 8.290 nan 0.000 0.740 185 D N 0.739 120.970 120.400 -0.282 0.000 2.269 185 D HA 0.055 4.696 4.640 0.002 0.000 0.208 185 D C 0.080 176.332 176.300 -0.080 0.000 0.963 185 D CA 1.020 54.872 54.000 -0.247 0.000 0.864 185 D CB -0.216 40.412 40.800 -0.287 0.000 0.936 185 D HN 0.354 nan 8.370 nan 0.000 0.505 186 D N 0.090 120.475 120.400 -0.025 0.000 2.277 186 D HA 0.359 5.000 4.640 0.002 0.000 0.250 186 D C 0.185 176.440 176.300 -0.075 0.000 1.032 186 D CA -0.336 53.612 54.000 -0.087 0.000 0.947 186 D CB 2.051 42.775 40.800 -0.126 0.000 1.159 186 D HN -0.065 nan 8.370 nan 0.000 0.460 187 L N 1.647 122.728 121.223 -0.236 0.000 2.381 187 L HA 0.318 4.660 4.340 0.002 0.000 0.274 187 L C -1.245 175.456 176.870 -0.281 0.000 0.988 187 L CA -0.883 53.876 54.840 -0.134 0.000 0.824 187 L CB 1.141 43.142 42.059 -0.097 0.000 1.263 187 L HN 0.252 nan 8.230 nan 0.000 0.410 188 Y N 2.697 123.019 120.300 0.037 0.000 2.331 188 Y HA 0.537 5.088 4.550 0.001 0.000 0.338 188 Y C -0.018 175.867 175.900 -0.025 0.000 0.976 188 Y CA -0.874 57.221 58.100 -0.008 0.000 1.137 188 Y CB 1.854 40.321 38.460 0.012 0.000 1.172 188 Y HN 0.123 nan 8.280 nan 0.000 0.478 189 V N 2.853 122.796 119.914 0.049 0.000 2.487 189 V HA 0.852 4.973 4.120 0.002 0.000 0.298 189 V C 0.103 176.247 176.094 0.084 0.000 1.028 189 V CA -0.800 61.538 62.300 0.063 0.000 0.860 189 V CB 1.751 33.594 31.823 0.033 0.000 0.991 189 V HN 0.922 nan 8.190 nan 0.000 0.427 190 G N 2.475 111.323 108.800 0.081 0.000 2.542 190 G HA2 0.761 4.722 3.960 0.002 0.000 0.311 190 G HA3 0.761 4.722 3.960 0.002 0.000 0.311 190 G C -0.693 174.260 174.900 0.089 0.000 1.298 190 G CA -0.301 44.825 45.100 0.044 0.000 0.973 190 G HN 0.966 nan 8.290 nan 0.000 0.487 191 S N -0.037 115.702 115.700 0.064 0.000 2.588 191 S HA 0.477 4.948 4.470 0.002 0.000 0.275 191 S C -0.727 173.871 174.600 -0.004 0.000 1.130 191 S CA -0.706 57.544 58.200 0.083 0.000 0.855 191 S CB 2.428 65.785 63.200 0.262 0.000 1.116 191 S HN 0.251 nan 8.310 nan 0.000 0.472 192 D N 0.751 121.158 120.400 0.011 0.000 2.328 192 D HA 0.342 4.984 4.640 0.002 0.000 0.221 192 D C 0.361 176.666 176.300 0.008 0.000 1.072 192 D CA 0.067 54.065 54.000 -0.003 0.000 0.850 192 D CB -0.213 40.586 40.800 -0.001 0.000 0.922 192 D HN 0.494 nan 8.370 nan 0.000 0.516 193 L N 1.155 122.399 121.223 0.035 0.000 2.475 193 L HA 0.171 4.513 4.340 0.002 0.000 0.253 193 L C 1.067 177.958 176.870 0.035 0.000 1.198 193 L CA -0.585 54.289 54.840 0.056 0.000 0.814 193 L CB 0.437 42.565 42.059 0.116 0.000 1.134 193 L HN -0.015 nan 8.230 nan 0.000 0.478 194 E N 1.011 121.240 120.200 0.050 0.000 2.277 194 E HA 0.080 4.431 4.350 0.002 0.000 0.274 194 E C 0.724 177.366 176.600 0.070 0.000 1.022 194 E CA -0.683 55.741 56.400 0.039 0.000 0.853 194 E CB 1.606 31.327 29.700 0.034 0.000 1.086 194 E HN 0.503 nan 8.360 nan 0.000 0.397 195 I N 2.495 123.098 120.570 0.055 0.000 2.367 195 I HA -0.232 3.940 4.170 0.002 0.000 0.256 195 I C 1.672 177.862 176.117 0.122 0.000 1.132 195 I CA 2.314 63.667 61.300 0.088 0.000 1.397 195 I CB -0.561 37.479 38.000 0.066 0.000 1.074 195 I HN 0.723 nan 8.210 nan 0.000 0.435 196 G N -0.953 107.901 108.800 0.089 0.000 2.394 196 G HA2 -0.262 3.700 3.960 0.002 0.000 0.214 196 G HA3 -0.262 3.700 3.960 0.002 0.000 0.214 196 G C 1.588 176.538 174.900 0.084 0.000 1.176 196 G CA 0.656 45.802 45.100 0.077 0.000 0.786 196 G HN 0.524 nan 8.290 nan 0.000 0.533 197 Q N -0.784 119.070 119.800 0.090 0.000 2.311 197 Q HA -0.034 4.307 4.340 0.002 0.000 0.203 197 Q C 2.084 178.150 176.000 0.110 0.000 0.954 197 Q CA 0.982 56.833 55.803 0.081 0.000 0.885 197 Q CB -0.075 28.703 28.738 0.066 0.000 0.963 197 Q HN 0.759 nan 8.270 nan 0.000 0.471 198 H N -0.023 119.070 119.070 0.039 0.000 2.343 198 H HA 0.059 4.618 4.556 0.005 0.000 0.303 198 H C 1.690 177.049 175.328 0.052 0.000 1.068 198 H CA 1.508 57.584 56.048 0.047 0.000 1.359 198 H CB 0.269 30.057 29.762 0.043 0.000 1.402 198 H HN 0.075 nan 8.280 nan 0.000 0.515 199 R N -0.505 120.021 120.500 0.043 0.000 2.193 199 R HA -0.063 4.278 4.340 0.002 0.000 0.229 199 R C 1.816 178.094 176.300 -0.037 0.000 1.110 199 R CA 1.507 57.591 56.100 -0.025 0.000 0.988 199 R CB -0.116 30.226 30.300 0.069 0.000 0.871 199 R HN 0.369 nan 8.270 nan 0.000 0.458 200 T N 0.745 115.298 114.554 -0.001 0.000 2.942 200 T HA -0.002 4.349 4.350 0.002 0.000 0.265 200 T C 1.677 176.385 174.700 0.014 0.000 1.062 200 T CA 0.683 62.791 62.100 0.013 0.000 1.139 200 T CB 0.105 68.991 68.868 0.030 0.000 0.883 200 T HN 0.026 nan 8.240 nan 0.000 0.468 201 K N 1.022 121.420 120.400 -0.003 0.000 2.155 201 K HA 0.089 4.411 4.320 0.002 0.000 0.203 201 K C 2.108 178.737 176.600 0.049 0.000 1.052 201 K CA 0.513 56.830 56.287 0.049 0.000 0.948 201 K CB -0.358 32.169 32.500 0.045 0.000 0.728 201 K HN 0.292 nan 8.250 nan 0.000 0.448 202 I N 1.729 122.230 120.570 -0.115 0.000 2.142 202 I HA -0.225 3.947 4.170 0.002 0.000 0.240 202 I C 2.025 178.105 176.117 -0.063 0.000 1.078 202 I CA 1.347 62.563 61.300 -0.139 0.000 1.343 202 I CB -1.032 36.851 38.000 -0.195 0.000 1.046 202 I HN 0.127 nan 8.210 nan 0.000 0.405 203 E N 0.945 121.129 120.200 -0.026 0.000 2.118 203 E HA -0.213 4.138 4.350 0.002 0.000 0.195 203 E C 2.066 178.689 176.600 0.039 0.000 0.992 203 E CA 1.023 57.425 56.400 0.003 0.000 0.804 203 E CB -0.238 29.470 29.700 0.014 0.000 0.741 203 E HN 0.598 nan 8.360 nan 0.000 0.458 204 E N 0.400 120.652 120.200 0.086 0.000 2.072 204 E HA -0.165 4.186 4.350 0.002 0.000 0.191 204 E C 2.185 178.893 176.600 0.179 0.000 0.985 204 E CA 0.626 57.126 56.400 0.165 0.000 0.801 204 E CB -0.179 29.662 29.700 0.235 0.000 0.750 204 E HN 0.081 nan 8.360 nan 0.000 0.452 205 L N 1.538 122.776 121.223 0.025 0.000 2.005 205 L HA -0.147 4.195 4.340 0.002 0.000 0.207 205 L C 2.265 179.046 176.870 -0.149 0.000 1.072 205 L CA 1.682 56.281 54.840 -0.401 0.000 0.744 205 L CB -0.186 41.405 42.059 -0.781 0.000 0.895 205 L HN -0.095 nan 8.230 nan 0.000 0.433 206 R N -0.912 119.531 120.500 -0.095 0.000 2.083 206 R HA -0.182 4.160 4.340 0.002 0.000 0.237 206 R C 2.301 178.602 176.300 0.001 0.000 1.137 206 R CA 1.795 57.863 56.100 -0.054 0.000 0.951 206 R CB -0.480 29.795 30.300 -0.042 0.000 0.851 206 R HN 0.550 nan 8.270 nan 0.000 0.434 207 Q N -0.654 119.171 119.800 0.040 0.000 2.297 207 Q HA -0.154 4.187 4.340 0.002 0.000 0.204 207 Q C 1.832 177.908 176.000 0.126 0.000 0.962 207 Q CA 1.087 56.930 55.803 0.067 0.000 0.879 207 Q CB 0.025 28.805 28.738 0.071 0.000 0.947 207 Q HN 0.444 nan 8.270 nan 0.000 0.462 208 H N 0.315 119.424 119.070 0.065 0.000 2.357 208 H HA -0.082 4.475 4.556 0.002 0.000 0.301 208 H C 1.683 177.129 175.328 0.197 0.000 1.082 208 H CA 1.060 57.197 56.048 0.147 0.000 1.342 208 H CB 0.042 29.896 29.762 0.153 0.000 1.389 208 H HN 0.065 nan 8.280 nan 0.000 0.511 209 L N -0.105 121.090 121.223 -0.047 0.000 2.046 209 L HA -0.094 4.248 4.340 0.002 0.000 0.208 209 L C 2.334 179.206 176.870 0.003 0.000 1.077 209 L CA 1.120 55.912 54.840 -0.081 0.000 0.747 209 L CB -1.167 40.850 42.059 -0.070 0.000 0.896 209 L HN 0.358 nan 8.230 nan 0.000 0.432 210 L N -0.539 120.687 121.223 0.004 0.000 2.156 210 L HA -0.119 4.223 4.340 0.002 0.000 0.208 210 L C 2.652 179.502 176.870 -0.034 0.000 1.095 210 L CA 1.382 56.223 54.840 0.001 0.000 0.770 210 L CB -0.615 41.445 42.059 0.002 0.000 0.914 210 L HN 0.201 nan 8.230 nan 0.000 0.439 211 R N -1.876 118.589 120.500 -0.057 0.000 2.249 211 R HA -0.208 4.134 4.340 0.002 0.000 0.230 211 R C 0.861 176.893 176.300 -0.447 0.000 1.121 211 R CA 1.538 57.514 56.100 -0.208 0.000 0.997 211 R CB -0.198 30.013 30.300 -0.148 0.000 0.867 211 R HN 0.467 nan 8.270 nan 0.000 0.465 212 W N -1.254 119.972 121.300 -0.123 0.000 2.966 212 W HA 0.343 5.004 4.660 0.002 0.000 0.406 212 W C 0.962 177.438 176.519 -0.071 0.000 1.027 212 W CA 0.350 57.625 57.345 -0.116 0.000 1.930 212 W CB 1.194 30.532 29.460 -0.203 0.000 1.144 212 W HN 0.274 nan 8.180 nan 0.000 0.626 213 G N 0.160 109.003 108.800 0.072 0.000 2.213 213 G HA2 -0.266 3.695 3.960 0.002 0.000 0.226 213 G HA3 -0.266 3.695 3.960 0.002 0.000 0.226 213 G C -0.038 174.911 174.900 0.081 0.000 0.992 213 G CA -0.347 44.797 45.100 0.073 0.000 0.632 213 G HN 0.074 nan 8.290 nan 0.000 0.511 214 L N 2.879 124.148 121.223 0.077 0.000 2.257 214 L HA 0.544 4.885 4.340 0.002 0.000 0.290 214 L C 1.014 177.909 176.870 0.041 0.000 1.044 214 L CA -0.151 54.732 54.840 0.071 0.000 0.810 214 L CB 1.341 43.435 42.059 0.058 0.000 1.193 214 L HN 0.359 nan 8.230 nan 0.000 0.425 215 T N -0.452 114.129 114.554 0.044 0.000 2.922 215 T HA 0.667 5.018 4.350 0.002 0.000 0.285 215 T C 0.075 174.783 174.700 0.014 0.000 1.005 215 T CA -0.615 61.501 62.100 0.027 0.000 1.061 215 T CB 1.770 70.657 68.868 0.033 0.000 1.007 215 T HN 0.638 nan 8.240 nan 0.000 0.502 216 T N -0.168 114.387 114.554 0.002 0.000 3.032 216 T HA 0.593 4.944 4.350 0.002 0.000 0.312 216 T C -3.115 171.579 174.700 -0.010 0.000 1.078 216 T CA -1.518 60.571 62.100 -0.019 0.000 1.028 216 T CB 1.015 69.855 68.868 -0.048 0.000 1.091 216 T HN 0.476 nan 8.240 nan 0.000 0.457 217 P HA 0.184 nan 4.420 nan 0.000 0.271 217 P C -0.186 177.049 177.300 -0.109 0.000 1.233 217 P CA -0.118 62.995 63.100 0.021 0.000 0.795 217 P CB 0.490 32.224 31.700 0.058 0.000 0.936 218 D N 0.031 120.403 120.400 -0.047 0.000 2.627 218 D HA 0.185 4.826 4.640 0.002 0.000 0.259 218 D C 0.242 176.509 176.300 -0.055 0.000 1.164 218 D CA -0.561 53.438 54.000 -0.002 0.000 1.087 218 D CB 1.045 41.916 40.800 0.119 0.000 1.217 218 D HN 0.198 nan 8.370 nan 0.000 0.630 219 K N -0.697 119.717 120.400 0.023 0.000 2.525 219 K HA -0.046 4.275 4.320 0.002 0.000 0.192 219 K C 1.655 178.302 176.600 0.078 0.000 1.029 219 K CA 0.377 56.681 56.287 0.030 0.000 1.029 219 K CB 0.169 32.689 32.500 0.034 0.000 0.814 219 K HN 0.238 nan 8.250 nan 0.000 0.503 220 K N 0.769 121.266 120.400 0.161 0.000 2.166 220 K HA -0.060 4.261 4.320 0.002 0.000 0.201 220 K C 0.447 177.190 176.600 0.237 0.000 1.052 220 K CA 0.682 57.078 56.287 0.182 0.000 0.969 220 K CB 0.361 32.959 32.500 0.164 0.000 0.761 220 K HN 0.177 nan 8.250 nan 0.000 0.459 221 H N 0.445 119.533 119.070 0.030 0.000 2.539 221 H HA 0.407 4.965 4.556 0.003 0.000 0.247 221 H C -1.309 174.045 175.328 0.044 0.000 1.363 221 H CA -0.715 55.353 56.048 0.034 0.000 1.371 221 H CB -0.099 29.678 29.762 0.025 0.000 1.438 221 H HN 0.052 nan 8.280 nan 0.000 0.523 222 Q N 2.631 122.447 119.800 0.027 0.000 2.285 222 Q HA 0.303 4.645 4.340 0.002 0.000 0.269 222 Q C -0.455 175.608 176.000 0.105 0.000 1.030 222 Q CA -1.197 54.619 55.803 0.022 0.000 0.788 222 Q CB 2.689 31.434 28.738 0.011 0.000 1.266 222 Q HN 0.337 nan 8.270 nan 0.000 0.438 223 K N 1.165 121.657 120.400 0.154 0.000 2.273 223 K HA 0.349 4.670 4.320 0.002 0.000 0.240 223 K C -0.101 176.596 176.600 0.162 0.000 1.056 223 K CA -0.377 56.000 56.287 0.150 0.000 0.910 223 K CB 0.473 33.067 32.500 0.156 0.000 1.196 223 K HN 0.569 nan 8.250 nan 0.000 0.509 224 E N -0.117 120.040 120.200 -0.072 0.000 2.320 224 E HA 0.396 4.747 4.350 0.002 0.000 0.264 224 E C -2.615 173.496 176.600 -0.816 0.000 0.923 224 E CA -2.375 53.887 56.400 -0.229 0.000 0.796 224 E CB 1.355 30.983 29.700 -0.121 0.000 1.262 224 E HN 0.103 nan 8.360 nan 0.000 0.428 225 P HA 0.131 nan 4.420 nan 0.000 0.267 225 P C -2.411 174.612 177.300 -0.461 0.000 1.200 225 P CA -0.700 61.942 63.100 -0.763 0.000 0.772 225 P CB -0.063 31.490 31.700 -0.245 0.000 0.855 226 P HA 0.242 nan 4.420 nan 0.000 0.276 226 P C -1.076 175.880 177.300 -0.573 0.000 1.244 226 P CA -0.065 62.647 63.100 -0.647 0.000 0.801 226 P CB 0.528 31.718 31.700 -0.850 0.000 1.006 227 F N 0.129 120.060 119.950 -0.033 0.000 2.436 227 F HA 0.368 4.895 4.527 -0.001 0.000 0.340 227 F C 0.705 176.611 175.800 0.177 0.000 1.113 227 F CA -0.831 57.227 58.000 0.097 0.000 1.022 227 F CB 0.941 40.025 39.000 0.140 0.000 1.128 227 F HN -0.020 nan 8.300 nan 0.000 0.466 228 L N 2.771 124.204 121.223 0.350 0.000 2.319 228 L HA 0.261 4.603 4.340 0.002 0.000 0.280 228 L C -1.149 175.987 176.870 0.445 0.000 1.099 228 L CA -0.206 54.833 54.840 0.331 0.000 0.828 228 L CB 0.875 43.061 42.059 0.211 0.000 1.150 228 L HN 0.737 nan 8.230 nan 0.000 0.442 229 W N 6.406 127.832 121.300 0.209 0.000 3.326 229 W HA 0.337 5.000 4.660 0.005 0.000 0.333 229 W C -0.348 176.259 176.519 0.147 0.000 1.108 229 W CA -0.774 56.659 57.345 0.148 0.000 1.245 229 W CB 1.037 30.548 29.460 0.086 0.000 1.331 229 W HN 0.386 nan 8.180 nan 0.000 0.464 230 M N 5.443 124.658 119.600 -0.642 0.000 2.282 230 M HA -0.223 4.258 4.480 0.002 0.000 0.199 230 M C 1.122 177.140 176.300 -0.470 0.000 0.349 230 M CA 2.004 56.871 55.300 -0.723 0.000 0.416 230 M CB -2.354 29.460 32.600 -1.310 0.000 1.366 230 M HN 1.555 nan 8.290 nan 0.000 0.907 231 G N -1.826 106.793 108.800 -0.301 0.000 2.176 231 G HA2 -0.285 3.676 3.960 0.002 0.000 0.253 231 G HA3 -0.285 3.676 3.960 0.002 0.000 0.253 231 G C -0.293 174.557 174.900 -0.084 0.000 0.979 231 G CA 0.425 45.334 45.100 -0.318 0.000 0.641 231 G HN 0.574 nan 8.290 nan 0.000 0.530 232 Y N -0.124 120.378 120.300 0.336 0.000 2.602 232 Y HA 0.713 5.264 4.550 0.003 0.000 0.330 232 Y C 0.481 176.622 175.900 0.401 0.000 1.114 232 Y CA -1.230 57.136 58.100 0.443 0.000 1.182 232 Y CB 1.300 40.036 38.460 0.459 0.000 1.305 232 Y HN 0.131 nan 8.280 nan 0.000 0.502 233 E N 1.528 122.100 120.200 0.620 0.000 2.182 233 E HA 0.449 4.800 4.350 0.002 0.000 0.258 233 E C -2.030 174.867 176.600 0.495 0.000 0.879 233 E CA -0.695 55.975 56.400 0.451 0.000 0.754 233 E CB 0.731 30.659 29.700 0.379 0.000 1.162 233 E HN 0.419 nan 8.360 nan 0.000 0.419 234 L N 5.198 126.658 121.223 0.395 0.000 2.296 234 L HA 0.394 4.736 4.340 0.002 0.000 0.286 234 L C -0.144 176.892 176.870 0.276 0.000 1.023 234 L CA -0.433 54.673 54.840 0.444 0.000 0.812 234 L CB 1.061 43.357 42.059 0.395 0.000 1.223 234 L HN 0.621 nan 8.230 nan 0.000 0.421 235 H N 3.547 122.833 119.070 0.359 0.000 2.737 235 H HA 0.332 4.888 4.556 0.000 0.000 0.358 235 H C -1.727 173.801 175.328 0.333 0.000 1.187 235 H CA -1.760 54.444 56.048 0.260 0.000 1.221 235 H CB 1.409 31.247 29.762 0.127 0.000 1.799 235 H HN 0.309 nan 8.280 nan 0.000 0.568 236 P HA -0.164 nan 4.420 nan 0.000 0.216 236 P C 0.387 177.896 177.300 0.349 0.000 1.150 236 P CA 1.756 65.019 63.100 0.272 0.000 0.843 236 P CB 0.220 32.023 31.700 0.172 0.000 0.787 237 D N -2.932 117.684 120.400 0.361 0.000 2.651 237 D HA 0.093 4.735 4.640 0.002 0.000 0.280 237 D C 0.024 176.396 176.300 0.120 0.000 1.496 237 D CA -0.342 53.883 54.000 0.375 0.000 0.792 237 D CB -0.252 40.661 40.800 0.190 0.000 1.144 237 D HN 0.233 nan 8.370 nan 0.000 0.470 238 K N -0.894 119.527 120.400 0.035 0.000 2.555 238 K HA 0.650 4.971 4.320 0.002 0.000 0.279 238 K C -1.351 175.217 176.600 -0.053 0.000 0.986 238 K CA -1.088 55.047 56.287 -0.253 0.000 0.880 238 K CB 1.988 34.235 32.500 -0.422 0.000 1.474 238 K HN 0.119 nan 8.250 nan 0.000 0.433 239 W N 0.111 121.291 121.300 -0.199 0.000 3.075 239 W HA 0.725 5.385 4.660 -0.000 0.000 0.334 239 W C -1.835 174.752 176.519 0.112 0.000 1.243 239 W CA -0.874 56.500 57.345 0.047 0.000 1.170 239 W CB 1.428 30.875 29.460 -0.021 0.000 1.452 239 W HN 0.848 nan 8.180 nan 0.000 0.572 240 T N 0.174 114.930 114.554 0.336 0.000 2.718 240 T HA 0.436 4.788 4.350 0.002 0.000 0.306 240 T C -0.831 174.212 174.700 0.571 0.000 1.485 240 T CA -0.188 61.949 62.100 0.062 0.000 0.997 240 T CB 0.976 69.861 68.868 0.027 0.000 1.504 240 T HN 0.991 nan 8.240 nan 0.000 0.497 241 V N 1.203 121.413 119.914 0.493 0.000 3.003 241 V HA 0.549 4.671 4.120 0.002 0.000 0.305 241 V C 0.553 176.919 176.094 0.453 0.000 1.078 241 V CA -0.567 62.087 62.300 0.589 0.000 1.083 241 V CB 0.322 32.437 31.823 0.487 0.000 1.039 241 V HN 0.979 nan 8.190 nan 0.000 0.481 242 Q N 2.310 122.353 119.800 0.405 0.000 2.395 242 Q HA 0.244 4.586 4.340 0.002 0.000 0.271 242 Q C -2.242 173.879 176.000 0.202 0.000 1.026 242 Q CA -1.236 54.720 55.803 0.254 0.000 0.900 242 Q CB 0.254 29.079 28.738 0.144 0.000 1.266 242 Q HN 0.659 nan 8.270 nan 0.000 0.430 243 P HA -0.050 nan 4.420 nan 0.000 0.261 243 P C -0.925 176.419 177.300 0.074 0.000 1.183 243 P CA 0.885 64.053 63.100 0.114 0.000 0.761 243 P CB 0.265 32.019 31.700 0.090 0.000 0.785 244 I N 3.899 124.502 120.570 0.055 0.000 2.359 244 I HA 0.199 4.371 4.170 0.002 0.000 0.284 244 I C 0.013 176.131 176.117 0.001 0.000 1.018 244 I CA -0.904 60.410 61.300 0.023 0.000 1.173 244 I CB 1.697 39.702 38.000 0.008 0.000 1.326 244 I HN 0.088 nan 8.210 nan 0.000 0.462 245 V N 8.550 128.470 119.914 0.009 0.000 2.350 245 V HA 0.416 4.537 4.120 0.002 0.000 0.276 245 V C -0.175 175.935 176.094 0.027 0.000 1.028 245 V CA -0.403 61.904 62.300 0.012 0.000 0.860 245 V CB 1.257 33.086 31.823 0.010 0.000 0.990 245 V HN 0.482 nan 8.190 nan 0.000 0.453 246 L N 9.079 130.326 121.223 0.039 0.000 2.260 246 L HA 0.458 4.800 4.340 0.002 0.000 0.289 246 L C -1.942 174.995 176.870 0.111 0.000 1.057 246 L CA -1.678 53.219 54.840 0.095 0.000 0.811 246 L CB 1.004 43.116 42.059 0.088 0.000 1.184 246 L HN 0.497 nan 8.230 nan 0.000 0.429 247 P HA -0.002 nan 4.420 nan 0.000 0.267 247 P C -0.658 176.653 177.300 0.019 0.000 1.201 247 P CA -0.093 63.006 63.100 -0.001 0.000 0.775 247 P CB 0.507 32.120 31.700 -0.145 0.000 0.854 248 E N 2.791 122.962 120.200 -0.048 0.000 2.081 248 E HA 0.273 4.624 4.350 0.002 0.000 0.281 248 E C -0.284 176.212 176.600 -0.172 0.000 0.986 248 E CA -0.159 56.219 56.400 -0.037 0.000 0.796 248 E CB 0.974 30.663 29.700 -0.018 0.000 1.085 248 E HN 0.376 nan 8.360 nan 0.000 0.398 249 K N 1.831 122.081 120.400 -0.250 0.000 2.464 249 K HA 0.262 4.583 4.320 0.002 0.000 0.253 249 K C -0.263 176.199 176.600 -0.229 0.000 0.933 249 K CA -0.714 55.300 56.287 -0.455 0.000 0.801 249 K CB 1.824 33.633 32.500 -1.150 0.000 1.271 249 K HN 0.102 nan 8.250 nan 0.000 0.430 250 D N 0.244 120.546 120.400 -0.162 0.000 2.301 250 D HA 0.022 4.663 4.640 0.002 0.000 0.206 250 D C -0.261 176.037 176.300 -0.003 0.000 0.979 250 D CA 0.865 54.848 54.000 -0.028 0.000 0.874 250 D CB 0.546 41.332 40.800 -0.023 0.000 0.968 250 D HN 0.209 nan 8.370 nan 0.000 0.510 251 S N 0.187 115.811 115.700 -0.126 0.000 2.561 251 S HA 0.395 4.867 4.470 0.002 0.000 0.303 251 S C -1.164 173.352 174.600 -0.140 0.000 1.110 251 S CA -0.754 57.421 58.200 -0.041 0.000 1.034 251 S CB 1.291 64.468 63.200 -0.038 0.000 1.010 251 S HN 0.074 nan 8.310 nan 0.000 0.482 252 W N 2.329 123.622 121.300 -0.011 0.000 2.475 252 W HA 0.446 5.107 4.660 0.002 0.000 0.317 252 W C 0.795 177.308 176.519 -0.011 0.000 1.046 252 W CA -0.656 56.682 57.345 -0.012 0.000 1.215 252 W CB 1.044 30.497 29.460 -0.012 0.000 1.335 252 W HN 0.619 nan 8.180 nan 0.000 0.471 253 T N -1.169 113.494 114.554 0.181 0.000 2.882 253 T HA 0.158 4.510 4.350 0.002 0.000 0.287 253 T C 1.011 175.788 174.700 0.129 0.000 1.014 253 T CA -0.732 61.437 62.100 0.115 0.000 1.049 253 T CB 1.346 70.248 68.868 0.056 0.000 1.001 253 T HN 0.263 nan 8.240 nan 0.000 0.525 254 V N 2.133 122.095 119.914 0.079 0.000 2.277 254 V HA -0.284 3.838 4.120 0.002 0.000 0.253 254 V C 2.898 179.029 176.094 0.062 0.000 1.067 254 V CA 2.545 64.880 62.300 0.059 0.000 1.047 254 V CB -1.113 30.731 31.823 0.035 0.000 0.649 254 V HN 1.062 nan 8.190 nan 0.000 0.447 255 N N -0.391 118.343 118.700 0.057 0.000 2.084 255 N HA -0.219 4.522 4.740 0.002 0.000 0.190 255 N C 1.556 177.116 175.510 0.083 0.000 1.030 255 N CA 1.766 54.846 53.050 0.051 0.000 0.849 255 N CB -0.112 38.393 38.487 0.031 0.000 1.012 255 N HN 0.502 nan 8.380 nan 0.000 0.423 256 D N 0.952 121.431 120.400 0.131 0.000 2.123 256 D HA -0.116 4.526 4.640 0.002 0.000 0.196 256 D C 2.061 178.543 176.300 0.302 0.000 0.992 256 D CA 0.806 54.942 54.000 0.226 0.000 0.833 256 D CB -0.220 40.758 40.800 0.297 0.000 0.954 256 D HN 0.449 nan 8.370 nan 0.000 0.455 257 I N 0.717 121.427 120.570 0.233 0.000 2.315 257 I HA -0.243 3.929 4.170 0.002 0.000 0.248 257 I C 2.479 178.616 176.117 0.034 0.000 1.117 257 I CA 0.831 62.178 61.300 0.078 0.000 1.404 257 I CB -0.230 37.771 38.000 0.002 0.000 1.071 257 I HN -0.038 nan 8.210 nan 0.000 0.419 258 Q N 0.991 120.818 119.800 0.045 0.000 2.030 258 Q HA -0.229 4.113 4.340 0.002 0.000 0.204 258 Q C 2.250 178.268 176.000 0.030 0.000 0.986 258 Q CA 1.606 57.425 55.803 0.026 0.000 0.843 258 Q CB -0.092 28.660 28.738 0.023 0.000 0.904 258 Q HN 0.453 nan 8.270 nan 0.000 0.420 259 K N 0.451 120.880 120.400 0.048 0.000 2.057 259 K HA -0.126 4.196 4.320 0.002 0.000 0.207 259 K C 2.093 178.724 176.600 0.052 0.000 1.049 259 K CA 0.791 57.102 56.287 0.040 0.000 0.931 259 K CB -0.280 32.248 32.500 0.046 0.000 0.714 259 K HN 0.223 nan 8.250 nan 0.000 0.440 260 L N 1.594 122.868 121.223 0.086 0.000 2.083 260 L HA -0.144 4.198 4.340 0.002 0.000 0.209 260 L C 2.095 178.971 176.870 0.009 0.000 1.083 260 L CA 1.530 56.410 54.840 0.067 0.000 0.752 260 L CB -0.473 41.614 42.059 0.047 0.000 0.899 260 L HN -0.042 nan 8.230 nan 0.000 0.433 261 V N 0.374 120.286 119.914 -0.003 0.000 2.307 261 V HA -0.163 3.959 4.120 0.002 0.000 0.245 261 V C 2.825 178.936 176.094 0.029 0.000 1.045 261 V CA 1.615 63.912 62.300 -0.005 0.000 1.024 261 V CB -1.341 30.475 31.823 -0.011 0.000 0.651 261 V HN 0.597 nan 8.190 nan 0.000 0.449 262 G N -0.314 108.506 108.800 0.033 0.000 2.422 262 G HA2 -0.256 3.706 3.960 0.002 0.000 0.218 262 G HA3 -0.256 3.706 3.960 0.002 0.000 0.218 262 G C 1.682 176.637 174.900 0.092 0.000 1.146 262 G CA 0.881 46.012 45.100 0.053 0.000 0.769 262 G HN 0.471 nan 8.290 nan 0.000 0.547 263 K N -0.723 119.715 120.400 0.063 0.000 2.103 263 K HA 0.086 4.408 4.320 0.002 0.000 0.204 263 K C 2.333 179.008 176.600 0.125 0.000 1.052 263 K CA 0.330 56.670 56.287 0.088 0.000 0.945 263 K CB -0.152 32.372 32.500 0.039 0.000 0.722 263 K HN 0.125 nan 8.250 nan 0.000 0.443 264 L N 1.640 122.905 121.223 0.070 0.000 2.027 264 L HA -0.129 4.213 4.340 0.002 0.000 0.206 264 L C 1.725 178.644 176.870 0.081 0.000 1.074 264 L CA 1.624 56.489 54.840 0.042 0.000 0.745 264 L CB -0.967 41.093 42.059 0.002 0.000 0.898 264 L HN 0.173 nan 8.230 nan 0.000 0.433 265 N N -1.293 117.469 118.700 0.102 0.000 2.149 265 N HA -0.266 4.475 4.740 0.002 0.000 0.188 265 N C 1.684 177.303 175.510 0.182 0.000 1.019 265 N CA 1.045 54.167 53.050 0.120 0.000 0.857 265 N CB -0.314 38.245 38.487 0.120 0.000 0.997 265 N HN 0.497 nan 8.380 nan 0.000 0.426 266 W N 1.606 122.925 121.300 0.032 0.000 2.409 266 W HA -0.031 4.630 4.660 0.002 0.000 0.299 266 W C 1.854 178.437 176.519 0.107 0.000 1.203 266 W CA 1.434 58.811 57.345 0.053 0.000 1.298 266 W CB -0.116 29.345 29.460 0.000 0.000 1.127 266 W HN 0.037 nan 8.180 nan 0.000 0.528 267 A N 0.560 123.496 122.820 0.193 0.000 2.015 267 A HA -0.202 4.120 4.320 0.002 0.000 0.219 267 A C 1.919 179.587 177.584 0.140 0.000 1.163 267 A CA 1.939 54.051 52.037 0.124 0.000 0.646 267 A CB -1.172 17.801 19.000 -0.044 0.000 0.806 267 A HN 0.330 nan 8.150 nan 0.000 0.448 268 S N -0.446 115.303 115.700 0.081 0.000 2.595 268 S HA -0.121 4.350 4.470 0.002 0.000 0.235 268 S C 1.455 176.075 174.600 0.033 0.000 0.974 268 S CA 0.941 59.179 58.200 0.063 0.000 0.942 268 S CB -0.470 62.751 63.200 0.034 0.000 0.766 268 S HN 0.697 nan 8.310 nan 0.000 0.536 269 Q N -0.549 119.276 119.800 0.043 0.000 2.369 269 Q HA 0.216 4.557 4.340 0.002 0.000 0.206 269 Q C 1.321 177.423 176.000 0.170 0.000 0.963 269 Q CA 0.948 56.811 55.803 0.100 0.000 0.894 269 Q CB -0.005 28.808 28.738 0.126 0.000 0.965 269 Q HN 0.667 nan 8.270 nan 0.000 0.475 270 I N -2.526 118.107 120.570 0.105 0.000 5.080 270 I HA 0.061 4.233 4.170 0.002 0.000 0.356 270 I C -0.958 175.057 176.117 -0.169 0.000 1.231 270 I CA -0.097 61.168 61.300 -0.058 0.000 1.458 270 I CB 0.979 38.813 38.000 -0.277 0.000 1.672 270 I HN -0.122 nan 8.210 nan 0.000 0.568 271 Y N 4.126 124.382 120.300 -0.074 0.000 2.425 271 Y HA 0.473 5.025 4.550 0.004 0.000 0.347 271 Y C -2.108 173.750 175.900 -0.069 0.000 0.976 271 Y CA -2.405 55.653 58.100 -0.071 0.000 1.190 271 Y CB 0.253 38.688 38.460 -0.042 0.000 1.136 271 Y HN 0.045 nan 8.280 nan 0.000 0.517 272 P HA 0.096 nan 4.420 nan 0.000 0.271 272 P C 0.497 177.800 177.300 0.004 0.000 1.216 272 P CA 0.364 63.451 63.100 -0.022 0.000 0.776 272 P CB 0.804 32.469 31.700 -0.058 0.000 0.881 273 G N 2.951 111.746 108.800 -0.009 0.000 2.295 273 G HA2 -0.214 3.748 3.960 0.002 0.000 0.287 273 G HA3 -0.214 3.748 3.960 0.002 0.000 0.287 273 G C 0.073 174.974 174.900 0.002 0.000 1.055 273 G CA -0.529 44.567 45.100 -0.006 0.000 0.922 273 G HN 0.457 nan 8.290 nan 0.000 0.503 274 I N -0.060 120.517 120.570 0.012 0.000 2.474 274 I HA 0.272 4.443 4.170 0.002 0.000 0.287 274 I C 0.728 176.840 176.117 -0.007 0.000 1.048 274 I CA 0.354 61.656 61.300 0.004 0.000 1.383 274 I CB 1.102 39.111 38.000 0.015 0.000 1.412 274 I HN 0.164 nan 8.210 nan 0.000 0.531 275 K N 4.899 125.286 120.400 -0.022 0.000 2.324 275 K HA 0.477 4.798 4.320 0.002 0.000 0.253 275 K C 0.181 176.758 176.600 -0.039 0.000 0.932 275 K CA -0.563 55.706 56.287 -0.030 0.000 0.799 275 K CB 2.666 35.141 32.500 -0.041 0.000 1.154 275 K HN 0.482 nan 8.250 nan 0.000 0.425 276 V N -0.640 119.252 119.914 -0.037 0.000 3.252 276 V HA 0.182 4.303 4.120 0.002 0.000 0.320 276 V C 1.647 177.710 176.094 -0.052 0.000 1.459 276 V CA -0.156 62.116 62.300 -0.047 0.000 1.095 276 V CB 0.093 31.897 31.823 -0.031 0.000 0.997 276 V HN 0.796 nan 8.190 nan 0.000 0.469 277 R N 0.622 121.092 120.500 -0.051 0.000 2.080 277 R HA -0.162 4.179 4.340 0.002 0.000 0.236 277 R C 2.235 178.500 176.300 -0.058 0.000 1.137 277 R CA 2.441 58.511 56.100 -0.051 0.000 0.943 277 R CB -0.122 30.146 30.300 -0.054 0.000 0.846 277 R HN 0.516 nan 8.270 nan 0.000 0.431 278 Q N 0.322 120.082 119.800 -0.067 0.000 2.172 278 Q HA -0.061 4.281 4.340 0.002 0.000 0.200 278 Q C 2.204 178.151 176.000 -0.088 0.000 0.964 278 Q CA 1.088 56.847 55.803 -0.073 0.000 0.855 278 Q CB -0.018 28.674 28.738 -0.076 0.000 0.918 278 Q HN 0.452 nan 8.270 nan 0.000 0.444 279 L N -1.036 120.125 121.223 -0.103 0.000 2.179 279 L HA -0.098 4.244 4.340 0.002 0.000 0.208 279 L C 2.386 179.200 176.870 -0.094 0.000 1.096 279 L CA 0.401 55.163 54.840 -0.130 0.000 0.779 279 L CB -0.253 41.711 42.059 -0.159 0.000 0.922 279 L HN 0.202 nan 8.230 nan 0.000 0.443 280 C N -0.112 119.147 119.300 -0.069 0.000 2.467 280 C HA -0.103 4.359 4.460 0.002 0.000 0.279 280 C C 2.825 177.789 174.990 -0.042 0.000 1.347 280 C CA 0.533 59.522 59.018 -0.049 0.000 1.748 280 C CB -0.340 27.377 27.740 -0.039 0.000 1.977 280 C HN 0.418 nan 8.230 nan 0.000 0.501 281 K N 0.187 120.560 120.400 -0.046 0.000 2.283 281 K HA -0.097 4.224 4.320 0.002 0.000 0.202 281 K C 1.644 178.222 176.600 -0.036 0.000 1.048 281 K CA 1.053 57.317 56.287 -0.038 0.000 0.948 281 K CB -0.108 32.367 32.500 -0.040 0.000 0.742 281 K HN 0.219 nan 8.250 nan 0.000 0.458 282 L N 0.702 121.897 121.223 -0.047 0.000 2.131 282 L HA -0.137 4.205 4.340 0.002 0.000 0.210 282 L C 1.835 178.689 176.870 -0.027 0.000 1.092 282 L CA 1.216 56.031 54.840 -0.042 0.000 0.759 282 L CB -0.579 41.441 42.059 -0.064 0.000 0.903 282 L HN 0.227 nan 8.230 nan 0.000 0.435 283 L N -0.957 120.250 121.223 -0.026 0.000 2.156 283 L HA -0.025 4.316 4.340 0.002 0.000 0.208 283 L C 1.272 178.136 176.870 -0.010 0.000 1.095 283 L CA 0.708 55.539 54.840 -0.015 0.000 0.770 283 L CB -0.758 41.292 42.059 -0.015 0.000 0.914 283 L HN 0.161 nan 8.230 nan 0.000 0.439 284 R N -0.066 120.426 120.500 -0.013 0.000 2.538 284 R HA 0.260 4.601 4.340 0.002 0.000 0.273 284 R C 0.702 176.999 176.300 -0.006 0.000 0.967 284 R CA 1.042 57.136 56.100 -0.010 0.000 1.101 284 R CB -0.389 29.904 30.300 -0.012 0.000 0.908 284 R HN 0.406 nan 8.270 nan 0.000 0.411 285 G N 0.569 109.367 108.800 -0.003 0.000 2.498 285 G HA2 -0.195 3.766 3.960 0.002 0.000 0.651 285 G HA3 -0.195 3.766 3.960 0.002 0.000 0.651 285 G C -0.931 173.970 174.900 0.001 0.000 1.284 285 G CA -0.346 44.754 45.100 -0.001 0.000 0.950 285 G HN 0.596 nan 8.290 nan 0.000 0.511 286 T N 0.774 115.330 114.554 0.003 0.000 2.791 286 T HA 0.664 5.016 4.350 0.002 0.000 0.288 286 T C -0.567 174.136 174.700 0.005 0.000 0.999 286 T CA -0.348 61.754 62.100 0.004 0.000 0.952 286 T CB 0.489 69.359 68.868 0.004 0.000 0.938 286 T HN 0.618 nan 8.240 nan 0.000 0.444 287 K N 2.498 122.901 120.400 0.006 0.000 2.527 287 K HA 0.669 4.991 4.320 0.002 0.000 0.260 287 K C -0.350 176.256 176.600 0.009 0.000 0.937 287 K CA -0.715 55.577 56.287 0.009 0.000 0.826 287 K CB 1.945 34.451 32.500 0.011 0.000 1.359 287 K HN 0.712 nan 8.250 nan 0.000 0.434 288 A N 1.487 124.313 122.820 0.009 0.000 2.429 288 A HA 0.121 4.443 4.320 0.002 0.000 0.242 288 A C 1.248 178.839 177.584 0.012 0.000 1.088 288 A CA 0.003 52.046 52.037 0.009 0.000 0.784 288 A CB 0.077 19.082 19.000 0.007 0.000 1.038 288 A HN 0.667 nan 8.150 nan 0.000 0.501 289 L N 0.826 122.055 121.223 0.011 0.000 2.201 289 L HA -0.084 4.257 4.340 0.002 0.000 0.212 289 L C 2.692 179.573 176.870 0.017 0.000 1.105 289 L CA 2.449 57.298 54.840 0.015 0.000 0.775 289 L CB -0.335 41.730 42.059 0.010 0.000 0.913 289 L HN 0.958 nan 8.230 nan 0.000 0.440 290 T N -3.751 110.810 114.554 0.012 0.000 3.113 290 T HA -0.033 4.319 4.350 0.002 0.000 0.256 290 T C 0.798 175.507 174.700 0.015 0.000 1.131 290 T CA -0.146 61.960 62.100 0.010 0.000 1.074 290 T CB -0.310 68.560 68.868 0.003 0.000 0.944 290 T HN 0.375 nan 8.240 nan 0.000 0.516 291 E N 1.031 121.243 120.200 0.020 0.000 2.349 291 E HA 0.391 4.742 4.350 0.002 0.000 0.265 291 E C -1.003 175.619 176.600 0.037 0.000 1.064 291 E CA -0.753 55.660 56.400 0.023 0.000 0.886 291 E CB 1.129 30.840 29.700 0.019 0.000 1.036 291 E HN 0.037 nan 8.360 nan 0.000 0.413 292 V N 5.140 125.077 119.914 0.038 0.000 2.439 292 V HA 0.210 4.331 4.120 0.002 0.000 0.282 292 V C -0.153 175.979 176.094 0.062 0.000 1.039 292 V CA -0.630 61.706 62.300 0.060 0.000 0.913 292 V CB 1.235 33.088 31.823 0.050 0.000 0.983 292 V HN 0.612 nan 8.190 nan 0.000 0.460 293 I N 7.075 127.696 120.570 0.086 0.000 2.359 293 I HA 0.356 4.528 4.170 0.002 0.000 0.284 293 I C -2.334 173.824 176.117 0.068 0.000 1.018 293 I CA -2.745 58.591 61.300 0.060 0.000 1.173 293 I CB 1.298 39.323 38.000 0.040 0.000 1.326 293 I HN 0.411 nan 8.210 nan 0.000 0.462 294 P HA 0.108 nan 4.420 nan 0.000 0.261 294 P C 0.008 177.318 177.300 0.016 0.000 1.203 294 P CA 0.002 63.130 63.100 0.047 0.000 0.767 294 P CB 0.302 32.020 31.700 0.030 0.000 0.785 295 L N 2.549 123.777 121.223 0.008 0.000 2.483 295 L HA 0.122 4.463 4.340 0.002 0.000 0.276 295 L C 1.614 178.462 176.870 -0.036 0.000 1.213 295 L CA 0.040 54.846 54.840 -0.057 0.000 0.843 295 L CB -0.120 41.870 42.059 -0.114 0.000 1.107 295 L HN 0.414 nan 8.230 nan 0.000 0.487 296 T N -2.200 112.324 114.554 -0.051 0.000 2.814 296 T HA 0.144 4.495 4.350 0.002 0.000 0.284 296 T C 0.881 175.558 174.700 -0.039 0.000 0.998 296 T CA -0.689 61.389 62.100 -0.037 0.000 0.935 296 T CB 1.320 70.164 68.868 -0.040 0.000 1.167 296 T HN 0.569 nan 8.240 nan 0.000 0.545 297 E N 0.463 120.644 120.200 -0.032 0.000 2.028 297 E HA -0.121 4.230 4.350 0.002 0.000 0.190 297 E C 2.129 178.705 176.600 -0.040 0.000 0.984 297 E CA 1.276 57.658 56.400 -0.030 0.000 0.800 297 E CB -0.188 29.498 29.700 -0.024 0.000 0.758 297 E HN 0.711 nan 8.360 nan 0.000 0.448 298 E N 1.091 121.265 120.200 -0.043 0.000 2.070 298 E HA -0.198 4.153 4.350 0.002 0.000 0.197 298 E C 1.876 178.438 176.600 -0.063 0.000 1.004 298 E CA 1.441 57.812 56.400 -0.050 0.000 0.805 298 E CB -0.371 29.299 29.700 -0.049 0.000 0.744 298 E HN 0.263 nan 8.360 nan 0.000 0.451 299 A N 1.042 123.817 122.820 -0.075 0.000 1.930 299 A HA -0.183 4.139 4.320 0.002 0.000 0.217 299 A C 2.049 179.562 177.584 -0.118 0.000 1.175 299 A CA 1.254 53.227 52.037 -0.105 0.000 0.627 299 A CB -0.277 18.651 19.000 -0.121 0.000 0.815 299 A HN 0.056 nan 8.150 nan 0.000 0.443 300 E N -0.453 119.693 120.200 -0.089 0.000 2.150 300 E HA -0.103 4.249 4.350 0.002 0.000 0.193 300 E C 1.787 178.354 176.600 -0.056 0.000 0.985 300 E CA 0.669 57.026 56.400 -0.072 0.000 0.814 300 E CB -0.160 29.518 29.700 -0.037 0.000 0.752 300 E HN 0.418 nan 8.360 nan 0.000 0.466 301 L N 1.114 122.306 121.223 -0.051 0.000 2.131 301 L HA -0.042 4.300 4.340 0.002 0.000 0.206 301 L C 2.158 178.998 176.870 -0.050 0.000 1.087 301 L CA 1.229 56.044 54.840 -0.042 0.000 0.767 301 L CB -0.945 41.092 42.059 -0.037 0.000 0.917 301 L HN 0.098 nan 8.230 nan 0.000 0.441 302 E N -0.394 119.767 120.200 -0.065 0.000 2.033 302 E HA -0.286 4.065 4.350 0.002 0.000 0.199 302 E C 2.083 178.637 176.600 -0.076 0.000 1.011 302 E CA 1.464 57.822 56.400 -0.071 0.000 0.815 302 E CB -0.260 29.389 29.700 -0.084 0.000 0.755 302 E HN 0.193 nan 8.360 nan 0.000 0.451 303 L N 0.953 122.115 121.223 -0.102 0.000 2.129 303 L HA -0.191 4.151 4.340 0.002 0.000 0.212 303 L C 2.072 178.909 176.870 -0.055 0.000 1.087 303 L CA 2.165 56.941 54.840 -0.107 0.000 0.757 303 L CB -0.788 41.175 42.059 -0.161 0.000 0.896 303 L HN 0.057 nan 8.230 nan 0.000 0.434 304 A N -0.851 121.944 122.820 -0.042 0.000 1.855 304 A HA -0.225 4.096 4.320 0.002 0.000 0.215 304 A C 2.320 179.891 177.584 -0.022 0.000 1.191 304 A CA 1.473 53.497 52.037 -0.021 0.000 0.613 304 A CB -0.751 18.238 19.000 -0.017 0.000 0.829 304 A HN 0.563 nan 8.150 nan 0.000 0.442 305 E N -0.011 120.172 120.200 -0.030 0.000 2.085 305 E HA -0.236 4.116 4.350 0.002 0.000 0.194 305 E C 1.821 178.406 176.600 -0.025 0.000 0.994 305 E CA 1.613 57.996 56.400 -0.027 0.000 0.801 305 E CB -0.215 29.465 29.700 -0.033 0.000 0.743 305 E HN 0.780 nan 8.360 nan 0.000 0.453 306 N N -0.361 118.318 118.700 -0.035 0.000 2.188 306 N HA -0.111 4.631 4.740 0.002 0.000 0.184 306 N C 1.892 177.378 175.510 -0.041 0.000 1.018 306 N CA 0.532 53.558 53.050 -0.040 0.000 0.858 306 N CB -0.020 38.434 38.487 -0.054 0.000 0.989 306 N HN 0.001 nan 8.380 nan 0.000 0.426 307 R N 0.889 121.372 120.500 -0.029 0.000 2.189 307 R HA -0.039 4.302 4.340 0.002 0.000 0.223 307 R C 1.338 177.631 176.300 -0.012 0.000 1.092 307 R CA 0.837 56.925 56.100 -0.019 0.000 0.989 307 R CB 0.221 30.522 30.300 0.001 0.000 0.876 307 R HN 0.231 nan 8.270 nan 0.000 0.457 308 E N 0.679 120.875 120.200 -0.007 0.000 2.016 308 E HA -0.139 4.212 4.350 0.002 0.000 0.190 308 E C 2.003 178.614 176.600 0.018 0.000 0.985 308 E CA 0.960 57.362 56.400 0.004 0.000 0.802 308 E CB -0.240 29.460 29.700 -0.000 0.000 0.762 308 E HN 0.334 nan 8.360 nan 0.000 0.448 309 I N 1.181 121.763 120.570 0.021 0.000 2.236 309 I HA -0.304 3.867 4.170 0.002 0.000 0.249 309 I C 2.305 178.497 176.117 0.124 0.000 1.102 309 I CA 1.125 62.467 61.300 0.070 0.000 1.365 309 I CB -0.292 37.746 38.000 0.063 0.000 1.051 309 I HN 0.057 nan 8.210 nan 0.000 0.420 310 L N -0.015 121.198 121.223 -0.017 0.000 2.492 310 L HA -0.073 4.268 4.340 0.002 0.000 0.223 310 L C 2.440 179.323 176.870 0.021 0.000 1.132 310 L CA 0.312 55.063 54.840 -0.147 0.000 0.850 310 L CB -0.420 41.480 42.059 -0.265 0.000 0.966 310 L HN 0.191 nan 8.230 nan 0.000 0.454 311 K N 1.302 121.730 120.400 0.047 0.000 1.978 311 K HA -0.125 4.196 4.320 0.002 0.000 0.214 311 K C 0.431 177.079 176.600 0.080 0.000 1.049 311 K CA 1.247 57.563 56.287 0.048 0.000 0.939 311 K CB -0.407 32.113 32.500 0.032 0.000 0.721 311 K HN 0.354 nan 8.250 nan 0.000 0.441 312 E N 1.758 122.013 120.200 0.092 0.000 2.289 312 E HA 0.206 4.557 4.350 0.002 0.000 0.278 312 E C -2.472 174.195 176.600 0.111 0.000 1.032 312 E CA -2.309 54.134 56.400 0.072 0.000 0.854 312 E CB 0.110 29.825 29.700 0.025 0.000 1.046 312 E HN 0.010 nan 8.360 nan 0.000 0.409 313 P HA 0.015 nan 4.420 nan 0.000 0.268 313 P C -0.884 176.350 177.300 -0.111 0.000 1.205 313 P CA -0.310 62.833 63.100 0.071 0.000 0.771 313 P CB 0.562 32.302 31.700 0.065 0.000 0.858 314 V N 0.869 120.583 119.914 -0.335 0.000 2.823 314 V HA 0.696 4.817 4.120 0.002 0.000 0.312 314 V C -0.442 175.345 176.094 -0.512 0.000 1.072 314 V CA -0.693 61.271 62.300 -0.561 0.000 0.937 314 V CB 1.954 33.273 31.823 -0.840 0.000 1.013 314 V HN 0.706 nan 8.190 nan 0.000 0.430 315 H N 1.864 120.670 119.070 -0.440 0.000 2.771 315 H HA 0.839 5.398 4.556 0.005 0.000 0.367 315 H C -0.066 174.855 175.328 -0.679 0.000 1.172 315 H CA -0.453 55.268 56.048 -0.545 0.000 1.186 315 H CB 2.146 31.653 29.762 -0.425 0.000 1.790 315 H HN 0.994 nan 8.280 nan 0.000 0.556 316 G N -0.066 108.135 108.800 -0.998 0.000 2.521 316 G HA2 0.472 4.433 3.960 0.002 0.000 0.323 316 G HA3 0.472 4.433 3.960 0.002 0.000 0.323 316 G C -0.980 173.646 174.900 -0.456 0.000 1.211 316 G CA -0.579 43.956 45.100 -0.941 0.000 0.979 316 G HN 0.449 nan 8.290 nan 0.000 0.490 317 V N -0.514 119.391 119.914 -0.015 0.000 3.046 317 V HA 0.563 4.685 4.120 0.002 0.000 0.316 317 V C -0.922 175.287 176.094 0.192 0.000 1.104 317 V CA -0.696 61.625 62.300 0.035 0.000 1.006 317 V CB 1.883 33.753 31.823 0.077 0.000 1.058 317 V HN 0.610 nan 8.190 nan 0.000 0.440 318 Y N 0.932 121.425 120.300 0.321 0.000 2.496 318 Y HA 0.438 4.987 4.550 -0.002 0.000 0.325 318 Y C -0.274 175.793 175.900 0.279 0.000 1.271 318 Y CA -0.696 57.584 58.100 0.300 0.000 1.368 318 Y CB 0.461 39.044 38.460 0.207 0.000 1.415 318 Y HN 0.572 nan 8.280 nan 0.000 0.527 319 Y N 1.557 122.064 120.300 0.344 0.000 2.326 319 Y HA 0.286 4.838 4.550 0.005 0.000 0.337 319 Y C -0.673 175.296 175.900 0.115 0.000 1.023 319 Y CA -1.385 56.837 58.100 0.203 0.000 1.143 319 Y CB 0.636 39.284 38.460 0.314 0.000 1.183 319 Y HN 0.502 nan 8.280 nan 0.000 0.485 320 D N 8.345 128.480 120.400 -0.442 0.000 2.373 320 D HA 0.300 4.942 4.640 0.002 0.000 0.227 320 D C -2.189 173.553 176.300 -0.929 0.000 1.091 320 D CA -2.539 51.169 54.000 -0.487 0.000 0.840 320 D CB 2.102 42.765 40.800 -0.228 0.000 1.060 320 D HN 0.353 nan 8.370 nan 0.000 0.502 321 P HA -0.071 nan 4.420 nan 0.000 0.225 321 P C 0.876 178.014 177.300 -0.269 0.000 1.148 321 P CA 0.766 63.505 63.100 -0.600 0.000 0.779 321 P CB 0.222 31.793 31.700 -0.214 0.000 0.780 322 S N -2.714 112.844 115.700 -0.238 0.000 2.556 322 S HA 0.185 4.657 4.470 0.002 0.000 0.216 322 S C 0.610 175.143 174.600 -0.112 0.000 0.970 322 S CA -0.168 57.955 58.200 -0.129 0.000 0.912 322 S CB -0.347 62.791 63.200 -0.103 0.000 0.790 322 S HN 0.051 nan 8.310 nan 0.000 0.504 323 K N 1.239 121.552 120.400 -0.146 0.000 2.328 323 K HA 0.461 4.782 4.320 0.002 0.000 0.246 323 K C -1.371 175.178 176.600 -0.086 0.000 0.955 323 K CA -0.919 55.305 56.287 -0.105 0.000 0.817 323 K CB 0.971 33.407 32.500 -0.107 0.000 1.208 323 K HN 0.009 nan 8.250 nan 0.000 0.432 324 D N 1.123 121.477 120.400 -0.076 0.000 2.368 324 D HA 0.090 4.732 4.640 0.002 0.000 0.240 324 D C -0.352 175.862 176.300 -0.143 0.000 1.169 324 D CA -0.036 53.910 54.000 -0.089 0.000 0.906 324 D CB 0.539 41.286 40.800 -0.088 0.000 1.187 324 D HN 0.023 nan 8.370 nan 0.000 0.435 325 L N 1.763 122.858 121.223 -0.213 0.000 2.295 325 L HA 0.372 4.714 4.340 0.002 0.000 0.285 325 L C -0.032 176.602 176.870 -0.393 0.000 1.035 325 L CA -0.573 54.050 54.840 -0.362 0.000 0.806 325 L CB 0.881 42.625 42.059 -0.525 0.000 1.214 325 L HN 0.224 nan 8.230 nan 0.000 0.426 326 I N 2.477 122.747 120.570 -0.500 0.000 2.412 326 I HA 0.682 4.853 4.170 0.002 0.000 0.296 326 I C 0.156 175.839 176.117 -0.724 0.000 0.987 326 I CA -0.258 60.681 61.300 -0.602 0.000 1.180 326 I CB 1.839 39.444 38.000 -0.658 0.000 1.340 326 I HN 0.674 nan 8.210 nan 0.000 0.455 327 A N 5.488 127.946 122.820 -0.603 0.000 2.330 327 A HA 0.780 5.102 4.320 0.002 0.000 0.313 327 A C -0.676 176.792 177.584 -0.194 0.000 1.124 327 A CA -0.546 51.221 52.037 -0.450 0.000 0.774 327 A CB 0.703 19.288 19.000 -0.692 0.000 1.198 327 A HN 0.696 nan 8.150 nan 0.000 0.465 328 E N 1.660 121.844 120.200 -0.025 0.000 2.199 328 E HA 0.596 4.948 4.350 0.002 0.000 0.269 328 E C -1.217 175.494 176.600 0.184 0.000 0.899 328 E CA -0.396 56.066 56.400 0.103 0.000 0.772 328 E CB 2.266 32.063 29.700 0.162 0.000 1.155 328 E HN 0.624 nan 8.360 nan 0.000 0.408 329 I N 2.414 123.092 120.570 0.181 0.000 2.509 329 I HA 0.257 4.429 4.170 0.002 0.000 0.293 329 I C -0.675 175.582 176.117 0.234 0.000 1.020 329 I CA -0.894 60.547 61.300 0.235 0.000 1.088 329 I CB 1.831 39.935 38.000 0.173 0.000 1.267 329 I HN 0.354 nan 8.210 nan 0.000 0.430 330 Q N 4.400 124.362 119.800 0.270 0.000 2.387 330 Q HA 0.453 4.794 4.340 0.002 0.000 0.273 330 Q C -0.736 175.389 176.000 0.207 0.000 1.089 330 Q CA -0.890 55.036 55.803 0.206 0.000 0.824 330 Q CB 2.040 30.832 28.738 0.091 0.000 1.367 330 Q HN 0.262 nan 8.270 nan 0.000 0.443 331 K N 1.735 122.142 120.400 0.012 0.000 2.270 331 K HA 0.246 4.567 4.320 0.002 0.000 0.276 331 K C -0.464 175.960 176.600 -0.293 0.000 1.023 331 K CA 0.258 56.283 56.287 -0.436 0.000 0.955 331 K CB 0.663 32.953 32.500 -0.350 0.000 0.975 331 K HN 0.665 nan 8.250 nan 0.000 0.471 332 Q N -0.004 119.556 119.800 -0.400 0.000 3.232 332 Q HA 0.341 4.682 4.340 0.002 0.000 0.348 332 Q C -0.034 175.820 176.000 -0.242 0.000 0.877 332 Q CA -1.127 54.536 55.803 -0.233 0.000 0.835 332 Q CB 0.218 28.861 28.738 -0.158 0.000 1.450 332 Q HN 0.754 nan 8.270 nan 0.000 0.471 333 G N 1.536 110.237 108.800 -0.166 0.000 2.341 333 G HA2 -0.097 3.864 3.960 0.002 0.000 0.231 333 G HA3 -0.097 3.864 3.960 0.002 0.000 0.231 333 G C -0.080 174.713 174.900 -0.179 0.000 1.206 333 G CA -0.054 44.961 45.100 -0.142 0.000 0.865 333 G HN 0.187 nan 8.290 nan 0.000 0.515 334 Q N 0.520 120.234 119.800 -0.142 0.000 2.308 334 Q HA 0.159 4.500 4.340 0.002 0.000 0.313 334 Q C 1.465 177.397 176.000 -0.112 0.000 1.075 334 Q CA 1.492 57.215 55.803 -0.132 0.000 0.995 334 Q CB 0.432 29.124 28.738 -0.076 0.000 1.107 334 Q HN 1.497 nan 8.270 nan 0.000 0.380 335 G N 2.750 111.481 108.800 -0.115 0.000 2.205 335 G HA2 -0.291 3.670 3.960 0.002 0.000 0.261 335 G HA3 -0.291 3.670 3.960 0.002 0.000 0.261 335 G C 0.015 174.888 174.900 -0.045 0.000 0.980 335 G CA 0.182 45.291 45.100 0.014 0.000 0.632 335 G HN 0.544 nan 8.290 nan 0.000 0.533 336 Q N -0.740 118.901 119.800 -0.265 0.000 2.290 336 Q HA 0.571 4.913 4.340 0.002 0.000 0.259 336 Q C -0.945 174.790 176.000 -0.441 0.000 0.941 336 Q CA -0.593 55.092 55.803 -0.197 0.000 0.912 336 Q CB 1.059 29.717 28.738 -0.134 0.000 1.244 336 Q HN 0.398 nan 8.270 nan 0.000 0.441 337 W N 0.930 122.318 121.300 0.147 0.000 2.785 337 W HA 0.467 5.128 4.660 0.002 0.000 0.333 337 W C 0.007 176.637 176.519 0.185 0.000 1.062 337 W CA -0.617 56.831 57.345 0.172 0.000 1.233 337 W CB 2.027 31.625 29.460 0.231 0.000 1.413 337 W HN 0.346 nan 8.180 nan 0.000 0.489 338 T N 2.200 116.952 114.554 0.330 0.000 2.932 338 T HA 0.752 5.104 4.350 0.002 0.000 0.289 338 T C -1.512 173.368 174.700 0.301 0.000 1.039 338 T CA -0.419 61.815 62.100 0.223 0.000 1.024 338 T CB 0.838 69.752 68.868 0.077 0.000 1.090 338 T HN 0.353 nan 8.240 nan 0.000 0.496 339 Y N 0.690 121.077 120.300 0.143 0.000 2.571 339 Y HA 0.792 5.343 4.550 0.002 0.000 0.341 339 Y C -1.438 174.519 175.900 0.096 0.000 1.076 339 Y CA -1.301 56.870 58.100 0.119 0.000 1.029 339 Y CB 1.121 39.653 38.460 0.120 0.000 1.308 339 Y HN 0.477 nan 8.280 nan 0.000 0.461 340 Q N 2.814 122.742 119.800 0.213 0.000 2.394 340 Q HA 0.743 5.084 4.340 0.002 0.000 0.273 340 Q C -1.422 174.681 176.000 0.172 0.000 1.089 340 Q CA -0.705 55.191 55.803 0.155 0.000 0.812 340 Q CB 3.249 32.094 28.738 0.177 0.000 1.353 340 Q HN 0.762 nan 8.270 nan 0.000 0.438 341 I N 2.735 123.391 120.570 0.143 0.000 2.447 341 I HA 0.500 4.672 4.170 0.002 0.000 0.287 341 I C -1.249 174.860 176.117 -0.013 0.000 1.023 341 I CA -1.075 60.203 61.300 -0.037 0.000 1.083 341 I CB 0.762 38.777 38.000 0.025 0.000 1.245 341 I HN 0.654 nan 8.210 nan 0.000 0.434 342 Y N 3.307 123.560 120.300 -0.079 0.000 2.638 342 Y HA 0.568 5.120 4.550 0.002 0.000 0.339 342 Y C 0.073 175.887 175.900 -0.143 0.000 1.084 342 Y CA -0.975 57.077 58.100 -0.080 0.000 1.068 342 Y CB 1.118 39.560 38.460 -0.031 0.000 1.294 342 Y HN 0.435 nan 8.280 nan 0.000 0.480 343 Q N -0.461 119.445 119.800 0.177 0.000 2.422 343 Q HA 0.198 4.539 4.340 0.002 0.000 0.255 343 Q C -0.692 175.363 176.000 0.091 0.000 0.864 343 Q CA 0.238 56.080 55.803 0.064 0.000 0.968 343 Q CB 1.123 29.848 28.738 -0.022 0.000 1.130 343 Q HN 0.695 nan 8.270 nan 0.000 0.556 344 E N 2.101 122.327 120.200 0.044 0.000 2.185 344 E HA 0.231 4.582 4.350 0.002 0.000 0.261 344 E C -2.630 173.749 176.600 -0.370 0.000 0.879 344 E CA -2.651 53.679 56.400 -0.117 0.000 0.756 344 E CB 1.579 31.213 29.700 -0.111 0.000 1.152 344 E HN -0.090 nan 8.360 nan 0.000 0.416 345 P HA 0.035 nan 4.420 nan 0.000 0.267 345 P C -0.665 176.045 177.300 -0.982 0.000 1.209 345 P CA 0.184 62.352 63.100 -1.553 0.000 0.763 345 P CB 0.224 30.793 31.700 -1.885 0.000 0.816 346 F N 2.318 122.040 119.950 -0.381 0.000 2.739 346 F HA 0.265 4.794 4.527 0.003 0.000 0.345 346 F C 1.042 176.676 175.800 -0.277 0.000 1.373 346 F CA -0.551 57.146 58.000 -0.506 0.000 1.160 346 F CB 0.551 39.324 39.000 -0.378 0.000 1.137 346 F HN -0.034 nan 8.300 nan 0.000 0.524 347 K N 1.753 122.080 120.400 -0.122 0.000 2.220 347 K HA 0.161 4.482 4.320 0.002 0.000 0.283 347 K C -0.326 176.296 176.600 0.037 0.000 1.098 347 K CA -0.312 55.946 56.287 -0.048 0.000 0.928 347 K CB 0.083 32.560 32.500 -0.039 0.000 1.214 347 K HN 0.185 nan 8.250 nan 0.000 0.442 348 N N 2.816 121.539 118.700 0.038 0.000 2.497 348 N HA 0.001 4.742 4.740 0.002 0.000 0.268 348 N C 1.096 176.685 175.510 0.131 0.000 1.171 348 N CA -0.081 53.039 53.050 0.118 0.000 0.948 348 N CB 0.874 39.401 38.487 0.068 0.000 1.069 348 N HN 0.288 nan 8.380 nan 0.000 0.460 349 L N 1.855 123.208 121.223 0.216 0.000 2.109 349 L HA -0.019 4.323 4.340 0.002 0.000 0.207 349 L C 1.071 178.260 176.870 0.531 0.000 1.086 349 L CA 1.495 56.561 54.840 0.377 0.000 0.760 349 L CB -0.397 41.873 42.059 0.352 0.000 0.910 349 L HN 0.706 nan 8.230 nan 0.000 0.437 350 K N -2.316 118.313 120.400 0.382 0.000 2.658 350 K HA 0.491 4.813 4.320 0.002 0.000 0.293 350 K C -0.897 175.808 176.600 0.176 0.000 1.026 350 K CA -0.411 56.094 56.287 0.363 0.000 0.871 350 K CB 1.311 34.047 32.500 0.394 0.000 1.524 350 K HN -0.137 nan 8.250 nan 0.000 0.400 351 T N -1.981 112.609 114.554 0.060 0.000 2.831 351 T HA 0.926 5.277 4.350 0.002 0.000 0.287 351 T C 0.100 174.573 174.700 -0.378 0.000 1.070 351 T CA -0.266 61.736 62.100 -0.162 0.000 1.010 351 T CB 1.734 70.526 68.868 -0.126 0.000 1.264 351 T HN 1.173 nan 8.240 nan 0.000 0.532 352 G N -0.091 108.221 108.800 -0.814 0.000 2.340 352 G HA2 0.586 4.547 3.960 0.002 0.000 0.299 352 G HA3 0.586 4.547 3.960 0.002 0.000 0.299 352 G C -2.051 172.525 174.900 -0.539 0.000 1.291 352 G CA -0.722 43.967 45.100 -0.685 0.000 0.841 352 G HN 1.004 nan 8.290 nan 0.000 0.500 353 K N -1.611 118.771 120.400 -0.031 0.000 2.480 353 K HA 0.757 5.079 4.320 0.002 0.000 0.258 353 K C -2.137 174.719 176.600 0.426 0.000 0.990 353 K CA -1.120 55.298 56.287 0.218 0.000 0.857 353 K CB 2.838 35.409 32.500 0.118 0.000 1.384 353 K HN 0.781 nan 8.250 nan 0.000 0.446 354 Y N 0.132 120.629 120.300 0.327 0.000 2.386 354 Y HA 0.590 5.141 4.550 0.002 0.000 0.334 354 Y C -1.946 174.138 175.900 0.307 0.000 1.002 354 Y CA -0.374 57.895 58.100 0.281 0.000 1.068 354 Y CB 2.387 40.989 38.460 0.236 0.000 1.203 354 Y HN 0.901 nan 8.280 nan 0.000 0.443 355 A N 7.346 129.930 122.820 -0.393 0.000 2.768 355 A HA 0.645 4.967 4.320 0.002 0.000 0.298 355 A C -1.464 175.892 177.584 -0.379 0.000 1.159 355 A CA -0.604 51.305 52.037 -0.213 0.000 0.783 355 A CB 0.730 19.697 19.000 -0.056 0.000 1.333 355 A HN 0.711 nan 8.150 nan 0.000 0.412 356 R N 2.386 122.620 120.500 -0.444 0.000 2.548 356 R HA 0.549 4.891 4.340 0.002 0.000 0.280 356 R C -1.511 174.785 176.300 -0.006 0.000 1.061 356 R CA -0.719 55.236 56.100 -0.242 0.000 0.915 356 R CB 1.746 31.852 30.300 -0.324 0.000 1.210 356 R HN 0.754 nan 8.270 nan 0.000 0.442 357 M N 3.742 123.351 119.600 0.016 0.000 2.108 357 M HA 0.364 4.846 4.480 0.002 0.000 0.354 357 M C -0.661 175.673 176.300 0.055 0.000 1.229 357 M CA 0.110 55.442 55.300 0.053 0.000 1.081 357 M CB 0.631 33.247 32.600 0.026 0.000 1.606 357 M HN 0.357 nan 8.290 nan 0.000 0.467 358 R N 4.077 124.626 120.500 0.082 0.000 2.229 358 R HA 0.676 5.018 4.340 0.002 0.000 0.332 358 R C 0.168 176.506 176.300 0.063 0.000 0.989 358 R CA 0.271 56.419 56.100 0.079 0.000 0.842 358 R CB 1.128 31.492 30.300 0.105 0.000 1.119 358 R HN 1.054 nan 8.270 nan 0.000 0.456 359 G N 1.552 110.377 108.800 0.041 0.000 2.725 359 G HA2 -0.253 3.709 3.960 0.002 0.000 0.220 359 G HA3 -0.253 3.709 3.960 0.002 0.000 0.220 359 G C 0.348 175.192 174.900 -0.093 0.000 1.357 359 G CA -0.242 44.860 45.100 0.003 0.000 0.866 359 G HN 0.614 nan 8.290 nan 0.000 0.548 360 A N -1.171 121.475 122.820 -0.291 0.000 1.984 360 A HA 0.394 4.716 4.320 0.002 0.000 0.214 360 A C 0.925 178.222 177.584 -0.477 0.000 1.173 360 A CA 1.729 53.474 52.037 -0.486 0.000 0.673 360 A CB -0.101 18.432 19.000 -0.777 0.000 0.830 360 A HN 1.039 nan 8.150 nan 0.000 0.453 361 H N 0.634 119.754 119.070 0.082 0.000 2.646 361 H HA 0.491 5.049 4.556 0.002 0.000 0.328 361 H C -0.828 174.540 175.328 0.067 0.000 0.998 361 H CA 0.045 56.136 56.048 0.072 0.000 1.225 361 H CB 0.759 30.565 29.762 0.074 0.000 1.457 361 H HN 0.257 nan 8.280 nan 0.000 0.505 362 T N 0.786 115.417 114.554 0.127 0.000 2.907 362 T HA 0.461 4.813 4.350 0.002 0.000 0.290 362 T C 0.216 174.924 174.700 0.014 0.000 1.066 362 T CA -1.166 60.966 62.100 0.053 0.000 1.012 362 T CB 2.027 70.925 68.868 0.050 0.000 1.184 362 T HN 0.614 nan 8.240 nan 0.000 0.522 363 N N -0.912 117.718 118.700 -0.116 0.000 2.545 363 N HA 0.416 5.157 4.740 0.002 0.000 0.289 363 N C -0.040 175.394 175.510 -0.126 0.000 1.279 363 N CA -0.932 52.038 53.050 -0.134 0.000 0.824 363 N CB 0.388 38.681 38.487 -0.322 0.000 1.395 363 N HN 0.394 nan 8.380 nan 0.000 0.526 364 D N -0.451 119.936 120.400 -0.021 0.000 2.149 364 D HA -0.100 4.542 4.640 0.002 0.000 0.198 364 D C 1.629 177.860 176.300 -0.115 0.000 0.990 364 D CA 1.027 55.095 54.000 0.114 0.000 0.839 364 D CB -0.175 40.760 40.800 0.224 0.000 0.948 364 D HN 0.372 nan 8.370 nan 0.000 0.460 365 V N 0.652 120.327 119.914 -0.398 0.000 2.427 365 V HA -0.189 3.932 4.120 0.002 0.000 0.248 365 V C 2.336 178.112 176.094 -0.531 0.000 1.051 365 V CA 1.315 63.291 62.300 -0.541 0.000 1.048 365 V CB -0.326 30.906 31.823 -0.985 0.000 0.666 365 V HN 0.154 nan 8.190 nan 0.000 0.456 366 K N -0.367 119.678 120.400 -0.593 0.000 2.057 366 K HA -0.156 4.166 4.320 0.002 0.000 0.206 366 K C 2.381 178.842 176.600 -0.232 0.000 1.050 366 K CA 1.331 57.419 56.287 -0.333 0.000 0.935 366 K CB -0.131 32.203 32.500 -0.276 0.000 0.715 366 K HN 0.515 nan 8.250 nan 0.000 0.439 367 Q N 0.454 120.132 119.800 -0.204 0.000 2.079 367 Q HA -0.162 4.180 4.340 0.002 0.000 0.200 367 Q C 2.195 177.777 176.000 -0.696 0.000 0.974 367 Q CA 1.014 56.696 55.803 -0.201 0.000 0.840 367 Q CB -0.085 28.765 28.738 0.186 0.000 0.898 367 Q HN 0.172 nan 8.270 nan 0.000 0.430 368 L N 0.487 121.197 121.223 -0.854 0.000 2.046 368 L HA -0.172 4.170 4.340 0.002 0.000 0.208 368 L C 2.148 178.568 176.870 -0.751 0.000 1.077 368 L CA 1.874 56.059 54.840 -1.092 0.000 0.747 368 L CB -0.681 40.920 42.059 -0.763 0.000 0.896 368 L HN 0.121 nan 8.230 nan 0.000 0.432 369 T N -0.676 113.594 114.554 -0.473 0.000 2.746 369 T HA -0.188 4.163 4.350 0.002 0.000 0.267 369 T C 1.674 176.139 174.700 -0.393 0.000 1.039 369 T CA 1.721 63.617 62.100 -0.341 0.000 1.142 369 T CB -0.260 68.601 68.868 -0.011 0.000 0.866 369 T HN 0.466 nan 8.240 nan 0.000 0.444 370 E N 1.100 121.061 120.200 -0.397 0.000 2.110 370 E HA -0.060 4.292 4.350 0.002 0.000 0.193 370 E C 2.512 178.681 176.600 -0.718 0.000 0.988 370 E CA 0.987 57.145 56.400 -0.403 0.000 0.804 370 E CB -0.219 29.329 29.700 -0.255 0.000 0.745 370 E HN 0.493 nan 8.360 nan 0.000 0.458 371 A N 0.797 122.991 122.820 -1.044 0.000 1.898 371 A HA -0.123 4.199 4.320 0.002 0.000 0.216 371 A C 2.486 179.687 177.584 -0.638 0.000 1.181 371 A CA 0.979 52.368 52.037 -1.079 0.000 0.620 371 A CB -0.597 17.783 19.000 -1.033 0.000 0.819 371 A HN 0.119 nan 8.150 nan 0.000 0.442 372 V N -0.336 119.193 119.914 -0.643 0.000 2.332 372 V HA -0.297 3.825 4.120 0.002 0.000 0.248 372 V C 2.773 178.605 176.094 -0.437 0.000 1.055 372 V CA 2.414 64.305 62.300 -0.682 0.000 1.038 372 V CB -0.711 30.514 31.823 -0.997 0.000 0.651 372 V HN 0.581 nan 8.190 nan 0.000 0.450 373 Q N 0.052 119.635 119.800 -0.362 0.000 2.050 373 Q HA -0.173 4.169 4.340 0.002 0.000 0.202 373 Q C 2.345 178.262 176.000 -0.137 0.000 0.980 373 Q CA 1.771 57.456 55.803 -0.196 0.000 0.840 373 Q CB -0.484 28.169 28.738 -0.142 0.000 0.898 373 Q HN 0.525 nan 8.270 nan 0.000 0.424 374 K N 0.281 120.571 120.400 -0.184 0.000 2.032 374 K HA -0.174 4.147 4.320 0.002 0.000 0.209 374 K C 1.923 178.458 176.600 -0.108 0.000 1.048 374 K CA 1.539 57.764 56.287 -0.102 0.000 0.927 374 K CB -0.336 32.127 32.500 -0.061 0.000 0.712 374 K HN 0.284 nan 8.250 nan 0.000 0.441 375 I N 0.957 121.412 120.570 -0.191 0.000 2.394 375 I HA -0.226 3.945 4.170 0.002 0.000 0.251 375 I C 2.135 178.248 176.117 -0.008 0.000 1.136 375 I CA 1.293 62.477 61.300 -0.194 0.000 1.425 375 I CB -0.308 37.528 38.000 -0.275 0.000 1.079 375 I HN 0.208 nan 8.210 nan 0.000 0.425 376 T N -0.206 114.394 114.554 0.077 0.000 2.777 376 T HA -0.156 4.195 4.350 0.002 0.000 0.266 376 T C 1.932 176.662 174.700 0.051 0.000 1.040 376 T CA 1.971 64.140 62.100 0.116 0.000 1.141 376 T CB -0.387 68.553 68.868 0.120 0.000 0.868 376 T HN 0.335 nan 8.240 nan 0.000 0.444 377 T N 1.657 116.221 114.554 0.018 0.000 2.746 377 T HA -0.126 4.226 4.350 0.002 0.000 0.267 377 T C 1.934 176.625 174.700 -0.015 0.000 1.039 377 T CA 1.480 63.586 62.100 0.009 0.000 1.142 377 T CB -0.265 68.608 68.868 0.008 0.000 0.866 377 T HN 0.583 nan 8.240 nan 0.000 0.444 378 E N 0.751 120.932 120.200 -0.031 0.000 2.077 378 E HA -0.137 4.214 4.350 0.002 0.000 0.193 378 E C 2.226 178.745 176.600 -0.135 0.000 0.989 378 E CA 1.329 57.680 56.400 -0.082 0.000 0.800 378 E CB -0.080 29.581 29.700 -0.065 0.000 0.746 378 E HN 0.357 nan 8.360 nan 0.000 0.452 379 S N 0.443 116.141 115.700 -0.003 0.000 2.383 379 S HA -0.102 4.370 4.470 0.002 0.000 0.227 379 S C 1.937 176.575 174.600 0.063 0.000 1.026 379 S CA 1.001 59.298 58.200 0.161 0.000 0.981 379 S CB -0.188 63.179 63.200 0.278 0.000 0.818 379 S HN 0.298 nan 8.310 nan 0.000 0.472 380 I N 1.042 121.628 120.570 0.027 0.000 2.226 380 I HA -0.148 4.024 4.170 0.002 0.000 0.245 380 I C 2.167 178.253 176.117 -0.050 0.000 1.100 380 I CA 0.863 62.172 61.300 0.015 0.000 1.374 380 I CB -0.359 37.656 38.000 0.026 0.000 1.057 380 I HN 0.145 nan 8.210 nan 0.000 0.413 381 V N 0.998 120.854 119.914 -0.097 0.000 2.295 381 V HA -0.274 3.848 4.120 0.002 0.000 0.246 381 V C 2.209 178.156 176.094 -0.245 0.000 1.049 381 V CA 1.929 64.150 62.300 -0.131 0.000 1.024 381 V CB -0.297 31.453 31.823 -0.121 0.000 0.648 381 V HN 0.326 nan 8.190 nan 0.000 0.447 382 I N -1.901 118.396 120.570 -0.455 0.000 2.333 382 I HA -0.138 4.033 4.170 0.002 0.000 0.246 382 I C 2.056 177.660 176.117 -0.855 0.000 1.106 382 I CA 1.370 62.181 61.300 -0.816 0.000 1.411 382 I CB -0.163 36.937 38.000 -1.501 0.000 1.082 382 I HN 0.401 nan 8.210 nan 0.000 0.420 383 W N -0.090 121.054 121.300 -0.260 0.000 2.865 383 W HA 0.357 5.018 4.660 0.001 0.000 0.300 383 W C 1.594 177.999 176.519 -0.190 0.000 1.096 383 W CA 0.722 57.828 57.345 -0.398 0.000 1.524 383 W CB -0.215 28.890 29.460 -0.592 0.000 0.991 383 W HN 0.305 nan 8.180 nan 0.000 0.571 384 G N 2.036 110.863 108.800 0.045 0.000 2.184 384 G HA2 -0.303 3.658 3.960 0.002 0.000 0.264 384 G HA3 -0.303 3.658 3.960 0.002 0.000 0.264 384 G C 0.275 175.229 174.900 0.089 0.000 0.975 384 G CA 1.025 46.161 45.100 0.058 0.000 0.642 384 G HN 0.347 nan 8.290 nan 0.000 0.536 385 K N -1.162 119.309 120.400 0.118 0.000 2.495 385 K HA 0.742 5.063 4.320 0.002 0.000 0.268 385 K C -0.748 175.909 176.600 0.094 0.000 1.008 385 K CA -0.398 55.949 56.287 0.099 0.000 0.882 385 K CB 1.540 34.098 32.500 0.098 0.000 1.443 385 K HN 0.229 nan 8.250 nan 0.000 0.447 386 T N 1.548 116.142 114.554 0.067 0.000 2.909 386 T HA 0.453 4.805 4.350 0.002 0.000 0.286 386 T C -2.376 172.303 174.700 -0.035 0.000 1.002 386 T CA -1.761 60.370 62.100 0.053 0.000 1.074 386 T CB 0.844 69.771 68.868 0.099 0.000 0.984 386 T HN 0.520 nan 8.240 nan 0.000 0.495 387 P HA 0.439 nan 4.420 nan 0.000 0.284 387 P C -1.221 175.863 177.300 -0.360 0.000 1.258 387 P CA -0.837 62.041 63.100 -0.370 0.000 0.824 387 P CB 0.625 31.948 31.700 -0.629 0.000 1.038 388 K N 1.772 121.998 120.400 -0.290 0.000 2.339 388 K HA 0.358 4.680 4.320 0.002 0.000 0.286 388 K C -0.298 176.149 176.600 -0.256 0.000 1.050 388 K CA 0.218 56.404 56.287 -0.167 0.000 0.956 388 K CB -0.600 31.828 32.500 -0.119 0.000 0.990 388 K HN 0.305 nan 8.250 nan 0.000 0.475 389 F N 1.877 121.788 119.950 -0.066 0.000 2.377 389 F HA 0.373 4.902 4.527 0.004 0.000 0.328 389 F C 0.715 176.521 175.800 0.010 0.000 1.094 389 F CA -0.340 57.624 58.000 -0.060 0.000 1.093 389 F CB 1.254 40.199 39.000 -0.092 0.000 1.214 389 F HN 0.124 nan 8.300 nan 0.000 0.518 390 K N 4.262 124.777 120.400 0.192 0.000 2.463 390 K HA 0.651 4.973 4.320 0.002 0.000 0.255 390 K C -1.432 175.260 176.600 0.153 0.000 0.942 390 K CA -0.586 55.797 56.287 0.161 0.000 0.814 390 K CB 2.217 34.769 32.500 0.085 0.000 1.122 390 K HN 0.497 nan 8.250 nan 0.000 0.425 391 L N 3.666 124.997 121.223 0.179 0.000 2.408 391 L HA 0.409 4.750 4.340 0.002 0.000 0.268 391 L C -2.193 174.759 176.870 0.136 0.000 0.986 391 L CA -2.158 52.731 54.840 0.081 0.000 0.820 391 L CB 2.613 44.574 42.059 -0.164 0.000 1.303 391 L HN 0.406 nan 8.230 nan 0.000 0.411 392 P HA 0.189 nan 4.420 nan 0.000 0.228 392 P C -0.564 176.937 177.300 0.335 0.000 1.748 392 P CA 0.397 63.604 63.100 0.178 0.000 0.909 392 P CB 0.181 31.974 31.700 0.157 0.000 1.882 393 I N -0.483 120.377 120.570 0.483 0.000 2.692 393 I HA 0.222 4.394 4.170 0.002 0.000 0.293 393 I C -0.612 175.777 176.117 0.452 0.000 1.200 393 I CA -0.910 60.604 61.300 0.356 0.000 1.036 393 I CB 2.527 40.596 38.000 0.115 0.000 1.258 393 I HN -0.203 nan 8.210 nan 0.000 0.421 394 Q N 5.993 125.822 119.800 0.048 0.000 2.373 394 Q HA 0.159 4.500 4.340 0.002 0.000 0.255 394 Q C 0.564 176.672 176.000 0.181 0.000 0.980 394 Q CA -0.335 55.343 55.803 -0.208 0.000 0.882 394 Q CB 0.955 29.512 28.738 -0.302 0.000 1.249 394 Q HN 0.531 nan 8.270 nan 0.000 0.438 395 K N 1.944 122.416 120.400 0.120 0.000 2.103 395 K HA -0.224 4.097 4.320 0.002 0.000 0.207 395 K C 1.578 178.334 176.600 0.259 0.000 1.048 395 K CA 1.380 57.794 56.287 0.212 0.000 0.930 395 K CB 0.041 32.505 32.500 -0.059 0.000 0.716 395 K HN 0.708 nan 8.250 nan 0.000 0.444 396 E N 0.547 120.817 120.200 0.116 0.000 2.152 396 E HA -0.111 4.240 4.350 0.002 0.000 0.192 396 E C 1.342 178.019 176.600 0.129 0.000 0.983 396 E CA 1.212 57.675 56.400 0.105 0.000 0.818 396 E CB 0.154 29.868 29.700 0.023 0.000 0.758 396 E HN 0.210 nan 8.360 nan 0.000 0.467 397 T N 0.949 115.574 114.554 0.119 0.000 2.708 397 T HA -0.182 4.170 4.350 0.002 0.000 0.266 397 T C 1.305 176.124 174.700 0.200 0.000 1.037 397 T CA 1.222 63.380 62.100 0.097 0.000 1.146 397 T CB -0.515 68.380 68.868 0.045 0.000 0.865 397 T HN 0.461 nan 8.240 nan 0.000 0.435 398 W N 2.332 123.714 121.300 0.136 0.000 2.388 398 W HA -0.064 4.599 4.660 0.003 0.000 0.294 398 W C 1.987 178.689 176.519 0.306 0.000 1.212 398 W CA 1.328 58.784 57.345 0.185 0.000 1.271 398 W CB -0.201 29.372 29.460 0.188 0.000 1.126 398 W HN 0.395 nan 8.180 nan 0.000 0.535 399 E N -0.168 120.246 120.200 0.358 0.000 2.106 399 E HA -0.169 4.182 4.350 0.002 0.000 0.192 399 E C 2.028 178.759 176.600 0.218 0.000 0.984 399 E CA 1.991 58.618 56.400 0.379 0.000 0.806 399 E CB -0.221 29.705 29.700 0.377 0.000 0.750 399 E HN -0.006 nan 8.360 nan 0.000 0.458 400 T N 0.732 115.352 114.554 0.111 0.000 2.821 400 T HA -0.161 4.190 4.350 0.002 0.000 0.267 400 T C 1.181 175.850 174.700 -0.052 0.000 1.046 400 T CA 1.149 63.254 62.100 0.008 0.000 1.139 400 T CB -0.354 68.524 68.868 0.017 0.000 0.871 400 T HN 0.453 nan 8.240 nan 0.000 0.454 401 W N 0.549 121.724 121.300 -0.208 0.000 2.407 401 W HA -0.134 4.527 4.660 0.002 0.000 0.305 401 W C 2.143 178.479 176.519 -0.306 0.000 1.196 401 W CA 0.920 58.086 57.345 -0.299 0.000 1.311 401 W CB -0.620 28.615 29.460 -0.375 0.000 1.135 401 W HN 0.419 nan 8.180 nan 0.000 0.514 402 W N 3.178 124.099 121.300 -0.631 0.000 2.318 402 W HA -0.320 4.342 4.660 0.003 0.000 0.313 402 W C 2.622 178.866 176.519 -0.460 0.000 1.221 402 W CA 4.030 60.992 57.345 -0.639 0.000 1.266 402 W CB -0.976 28.172 29.460 -0.519 0.000 1.150 402 W HN -0.079 nan 8.180 nan 0.000 0.496 403 T N -1.825 112.094 114.554 -1.058 0.000 2.770 403 T HA -0.203 4.148 4.350 0.002 0.000 0.263 403 T C 1.726 176.025 174.700 -0.670 0.000 1.039 403 T CA 1.406 62.819 62.100 -1.145 0.000 1.142 403 T CB -0.877 67.411 68.868 -0.967 0.000 0.868 403 T HN 0.175 nan 8.240 nan 0.000 0.435 404 E N 0.605 120.472 120.200 -0.554 0.000 2.114 404 E HA -0.118 4.233 4.350 0.002 0.000 0.199 404 E C 0.271 176.557 176.600 -0.523 0.000 1.008 404 E CA 0.830 56.958 56.400 -0.454 0.000 0.810 404 E CB -0.433 29.025 29.700 -0.402 0.000 0.739 404 E HN 0.625 nan 8.360 nan 0.000 0.456 405 Y N 0.999 120.674 120.300 -1.041 0.000 2.309 405 Y HA -0.056 4.495 4.550 0.002 0.000 0.327 405 Y C 1.155 176.643 175.900 -0.686 0.000 1.172 405 Y CA -0.933 56.466 58.100 -1.168 0.000 1.280 405 Y CB 0.226 37.723 38.460 -1.605 0.000 1.234 405 Y HN 0.064 nan 8.280 nan 0.000 0.512 406 W N 1.867 122.822 121.300 -0.575 0.000 2.770 406 W HA 0.107 4.768 4.660 0.003 0.000 0.256 406 W C -0.071 176.150 176.519 -0.498 0.000 1.291 406 W CA -0.211 56.856 57.345 -0.464 0.000 1.396 406 W CB -0.347 28.901 29.460 -0.354 0.000 1.114 406 W HN 0.462 nan 8.180 nan 0.000 0.637 407 Q N 1.657 120.962 119.800 -0.826 0.000 2.340 407 Q HA 0.470 4.812 4.340 0.002 0.000 0.249 407 Q C 0.000 175.914 176.000 -0.143 0.000 0.957 407 Q CA 0.072 55.631 55.803 -0.406 0.000 0.882 407 Q CB 1.403 29.744 28.738 -0.661 0.000 1.235 407 Q HN 0.120 nan 8.270 nan 0.000 0.439 408 A N 2.101 124.929 122.820 0.012 0.000 2.371 408 A HA 0.624 4.945 4.320 0.002 0.000 0.257 408 A C -0.075 177.603 177.584 0.157 0.000 1.089 408 A CA 0.264 52.364 52.037 0.106 0.000 0.794 408 A CB 0.775 19.834 19.000 0.099 0.000 1.029 408 A HN 0.682 nan 8.150 nan 0.000 0.488 409 T N 0.979 115.674 114.554 0.236 0.000 2.749 409 T HA 0.578 4.930 4.350 0.002 0.000 0.310 409 T C -2.285 172.647 174.700 0.387 0.000 1.496 409 T CA -0.365 61.902 62.100 0.279 0.000 1.006 409 T CB 1.191 70.227 68.868 0.279 0.000 1.457 409 T HN 1.464 nan 8.240 nan 0.000 0.497 410 W N 5.171 126.557 121.300 0.144 0.000 4.020 410 W HA 0.485 5.147 4.660 0.002 0.000 0.293 410 W C -2.387 174.136 176.519 0.007 0.000 1.236 410 W CA -1.081 56.317 57.345 0.089 0.000 1.265 410 W CB 0.571 30.045 29.460 0.024 0.000 1.248 410 W HN 0.885 nan 8.180 nan 0.000 0.501 411 I N 3.748 123.860 120.570 -0.763 0.000 2.530 411 I HA 0.667 4.838 4.170 0.002 0.000 0.297 411 I C -2.168 173.242 176.117 -1.178 0.000 1.011 411 I CA -2.720 58.028 61.300 -0.920 0.000 1.107 411 I CB 1.646 39.005 38.000 -1.068 0.000 1.285 411 I HN 0.024 nan 8.210 nan 0.000 0.436 412 P HA -0.056 nan 4.420 nan 0.000 0.278 412 P C -0.442 176.742 177.300 -0.192 0.000 1.268 412 P CA -0.222 62.706 63.100 -0.288 0.000 0.813 412 P CB 0.317 32.051 31.700 0.056 0.000 1.180 413 E N 0.698 120.880 120.200 -0.029 0.000 2.558 413 E HA -0.011 4.340 4.350 0.002 0.000 0.255 413 E C -0.836 175.833 176.600 0.115 0.000 0.968 413 E CA 0.169 56.560 56.400 -0.015 0.000 0.939 413 E CB 0.045 29.743 29.700 -0.002 0.000 0.921 413 E HN 0.349 nan 8.360 nan 0.000 0.477 414 W N 3.823 125.019 121.300 -0.174 0.000 3.137 414 W HA 0.457 5.118 4.660 0.002 0.000 0.324 414 W C -1.445 175.006 176.519 -0.113 0.000 1.253 414 W CA -0.897 56.371 57.345 -0.129 0.000 1.183 414 W CB 0.335 29.645 29.460 -0.250 0.000 1.424 414 W HN 0.582 nan 8.180 nan 0.000 0.566 415 E N 1.293 121.509 120.200 0.027 0.000 2.392 415 E HA 0.561 4.912 4.350 0.002 0.000 0.269 415 E C -1.856 174.856 176.600 0.187 0.000 0.924 415 E CA -0.879 55.427 56.400 -0.156 0.000 0.784 415 E CB 2.900 32.534 29.700 -0.109 0.000 1.292 415 E HN 0.221 nan 8.360 nan 0.000 0.447 416 F N 1.809 121.748 119.950 -0.019 0.000 2.471 416 F HA 0.409 4.938 4.527 0.003 0.000 0.353 416 F C -0.756 175.109 175.800 0.107 0.000 1.113 416 F CA -0.318 57.766 58.000 0.139 0.000 1.262 416 F CB 1.348 40.392 39.000 0.074 0.000 1.146 416 F HN 0.264 nan 8.300 nan 0.000 0.578 417 V N 6.610 126.019 119.914 -0.842 0.000 2.686 417 V HA 0.352 4.473 4.120 0.002 0.000 0.306 417 V C -1.141 174.313 176.094 -1.067 0.000 1.065 417 V CA -0.846 61.008 62.300 -0.743 0.000 0.894 417 V CB 1.715 33.394 31.823 -0.241 0.000 1.004 417 V HN 0.833 nan 8.190 nan 0.000 0.424 418 N N 4.046 122.296 118.700 -0.750 0.000 3.034 418 N HA 0.306 5.047 4.740 0.002 0.000 0.265 418 N C -0.576 174.857 175.510 -0.129 0.000 1.166 418 N CA 0.005 52.829 53.050 -0.376 0.000 1.081 418 N CB 0.253 38.700 38.487 -0.066 0.000 1.378 418 N HN 0.740 nan 8.380 nan 0.000 0.520 419 T N 3.822 118.320 114.554 -0.094 0.000 3.060 419 T HA 0.349 4.700 4.350 0.002 0.000 0.367 419 T C -2.487 172.227 174.700 0.024 0.000 1.229 419 T CA -1.130 60.954 62.100 -0.028 0.000 1.104 419 T CB 1.416 70.269 68.868 -0.026 0.000 1.083 419 T HN 0.280 nan 8.240 nan 0.000 0.524 420 P HA 0.207 nan 4.420 nan 0.000 0.270 420 P C -2.370 174.951 177.300 0.035 0.000 1.223 420 P CA -1.208 61.927 63.100 0.058 0.000 0.785 420 P CB -0.254 31.479 31.700 0.055 0.000 0.923 421 P HA 0.126 nan 4.420 nan 0.000 0.276 421 P C -0.405 176.960 177.300 0.109 0.000 1.243 421 P CA 0.192 63.336 63.100 0.074 0.000 0.768 421 P CB 0.423 32.159 31.700 0.059 0.000 0.856 422 L N 3.253 124.558 121.223 0.136 0.000 2.456 422 L HA 0.131 4.472 4.340 0.002 0.000 0.272 422 L C 1.092 178.040 176.870 0.130 0.000 1.189 422 L CA -0.666 54.270 54.840 0.160 0.000 0.846 422 L CB 0.516 42.679 42.059 0.174 0.000 1.111 422 L HN 0.267 nan 8.230 nan 0.000 0.475 423 V N 1.301 121.299 119.914 0.139 0.000 2.546 423 V HA 0.570 4.692 4.120 0.002 0.000 0.284 423 V C -0.139 175.912 176.094 -0.071 0.000 1.050 423 V CA -0.521 61.832 62.300 0.089 0.000 0.981 423 V CB 1.055 32.970 31.823 0.154 0.000 0.990 423 V HN 0.967 nan 8.190 nan 0.000 0.474 424 K N 4.072 124.316 120.400 -0.261 0.000 2.507 424 K HA 0.678 5.000 4.320 0.002 0.000 0.284 424 K C -1.601 174.627 176.600 -0.620 0.000 1.038 424 K CA -1.184 54.832 56.287 -0.451 0.000 0.903 424 K CB 1.924 34.050 32.500 -0.623 0.000 1.531 424 K HN 0.580 nan 8.250 nan 0.000 0.430 425 L N 1.314 122.219 121.223 -0.531 0.000 2.289 425 L HA 0.344 4.685 4.340 0.002 0.000 0.285 425 L C -0.009 176.560 176.870 -0.503 0.000 1.049 425 L CA -0.649 53.917 54.840 -0.455 0.000 0.804 425 L CB 0.701 42.608 42.059 -0.253 0.000 1.195 425 L HN 0.713 nan 8.230 nan 0.000 0.428 426 W N 2.004 123.280 121.300 -0.039 0.000 2.942 426 W HA 0.063 4.724 4.660 0.002 0.000 0.263 426 W C 0.046 176.692 176.519 0.213 0.000 1.296 426 W CA -0.253 57.146 57.345 0.090 0.000 1.504 426 W CB 0.323 29.869 29.460 0.142 0.000 1.096 426 W HN 0.482 nan 8.180 nan 0.000 0.639 427 Y N -2.063 118.336 120.300 0.164 0.000 2.670 427 Y HA 0.678 5.230 4.550 0.002 0.000 0.334 427 Y C -1.073 174.869 175.900 0.070 0.000 1.185 427 Y CA -2.432 55.733 58.100 0.107 0.000 1.053 427 Y CB 0.506 39.030 38.460 0.107 0.000 1.298 427 Y HN -0.220 nan 8.280 nan 0.000 0.459 428 Q N 1.521 121.421 119.800 0.165 0.000 2.331 428 Q HA 0.608 4.949 4.340 0.002 0.000 0.272 428 Q C -1.476 174.634 176.000 0.183 0.000 1.062 428 Q CA -0.888 54.953 55.803 0.064 0.000 0.806 428 Q CB 3.289 32.043 28.738 0.026 0.000 1.312 428 Q HN 0.692 nan 8.270 nan 0.000 0.431 429 L N 1.817 123.137 121.223 0.161 0.000 2.418 429 L HA 0.242 4.584 4.340 0.002 0.000 0.265 429 L C 0.468 177.418 176.870 0.134 0.000 1.143 429 L CA -0.652 54.284 54.840 0.160 0.000 0.809 429 L CB 0.472 42.607 42.059 0.127 0.000 1.124 429 L HN 0.447 nan 8.230 nan 0.000 0.456 430 E N 1.754 122.060 120.200 0.177 0.000 2.398 430 E HA 0.016 4.368 4.350 0.002 0.000 0.263 430 E C 0.357 177.121 176.600 0.273 0.000 1.046 430 E CA 0.065 56.589 56.400 0.207 0.000 0.908 430 E CB 0.912 30.755 29.700 0.239 0.000 0.963 430 E HN 0.425 nan 8.360 nan 0.000 0.431 431 K N 1.028 121.529 120.400 0.168 0.000 2.137 431 K HA -0.020 4.302 4.320 0.002 0.000 0.202 431 K C 0.384 177.092 176.600 0.179 0.000 1.052 431 K CA 0.760 57.140 56.287 0.156 0.000 0.961 431 K CB 0.250 32.785 32.500 0.058 0.000 0.741 431 K HN 0.250 nan 8.250 nan 0.000 0.452 432 E N 0.134 120.337 120.200 0.004 0.000 2.244 432 E HA 0.260 4.612 4.350 0.002 0.000 0.266 432 E C -2.682 173.474 176.600 -0.741 0.000 0.914 432 E CA -2.774 53.461 56.400 -0.275 0.000 0.794 432 E CB 1.315 30.920 29.700 -0.158 0.000 1.210 432 E HN -0.180 nan 8.360 nan 0.000 0.414 433 P HA 0.113 nan 4.420 nan 0.000 0.269 433 P C -0.448 176.635 177.300 -0.362 0.000 1.215 433 P CA 0.186 62.691 63.100 -0.991 0.000 0.780 433 P CB 0.489 31.799 31.700 -0.651 0.000 0.898 434 I N 1.114 121.576 120.570 -0.179 0.000 2.359 434 I HA 0.206 4.378 4.170 0.002 0.000 0.294 434 I C 0.528 176.616 176.117 -0.047 0.000 0.987 434 I CA -1.126 60.131 61.300 -0.072 0.000 1.225 434 I CB 1.364 39.362 38.000 -0.004 0.000 1.366 434 I HN 0.004 nan 8.210 nan 0.000 0.466 435 V N 5.690 125.580 119.914 -0.039 0.000 2.686 435 V HA 0.280 4.401 4.120 0.002 0.000 0.295 435 V C 1.265 177.355 176.094 -0.006 0.000 1.055 435 V CA 0.961 63.248 62.300 -0.022 0.000 1.050 435 V CB 0.863 32.673 31.823 -0.022 0.000 0.984 435 V HN 1.141 nan 8.190 nan 0.000 0.482 436 G N 3.713 112.514 108.800 0.001 0.000 2.168 436 G HA2 -0.132 3.830 3.960 0.002 0.000 0.263 436 G HA3 -0.132 3.830 3.960 0.002 0.000 0.263 436 G C 0.283 175.194 174.900 0.018 0.000 0.977 436 G CA 0.241 45.346 45.100 0.008 0.000 0.659 436 G HN 1.515 nan 8.290 nan 0.000 0.533 437 A N -0.228 122.606 122.820 0.023 0.000 2.317 437 A HA 0.739 5.061 4.320 0.002 0.000 0.327 437 A C 0.283 177.902 177.584 0.060 0.000 1.178 437 A CA 0.061 52.123 52.037 0.042 0.000 0.817 437 A CB 0.782 19.808 19.000 0.044 0.000 1.189 437 A HN 0.531 nan 8.150 nan 0.000 0.489 438 E N 1.060 121.312 120.200 0.088 0.000 2.452 438 E HA 0.133 4.484 4.350 0.002 0.000 0.261 438 E C -0.543 176.142 176.600 0.142 0.000 0.987 438 E CA 0.415 56.870 56.400 0.092 0.000 0.926 438 E CB 0.402 30.182 29.700 0.132 0.000 0.934 438 E HN 0.547 nan 8.360 nan 0.000 0.452 439 T N 5.364 119.957 114.554 0.066 0.000 2.738 439 T HA 0.240 4.592 4.350 0.002 0.000 0.298 439 T C -0.751 173.966 174.700 0.027 0.000 0.962 439 T CA -0.331 61.804 62.100 0.059 0.000 0.972 439 T CB -0.125 68.756 68.868 0.022 0.000 0.928 439 T HN 0.218 nan 8.240 nan 0.000 0.474 440 F N 3.150 123.023 119.950 -0.127 0.000 2.404 440 F HA 0.351 4.880 4.527 0.003 0.000 0.358 440 F C 0.107 175.839 175.800 -0.112 0.000 1.120 440 F CA -1.192 56.745 58.000 -0.105 0.000 1.144 440 F CB 0.339 39.212 39.000 -0.212 0.000 1.133 440 F HN 0.507 nan 8.300 nan 0.000 0.495 441 Y N 3.435 123.812 120.300 0.128 0.000 2.383 441 Y HA 0.446 4.998 4.550 0.002 0.000 0.344 441 Y C 0.389 176.388 175.900 0.165 0.000 0.986 441 Y CA -0.861 57.304 58.100 0.108 0.000 1.175 441 Y CB 0.676 39.167 38.460 0.050 0.000 1.152 441 Y HN 0.411 nan 8.280 nan 0.000 0.511 442 V N -0.323 119.739 119.914 0.245 0.000 3.193 442 V HA 0.812 4.933 4.120 0.002 0.000 0.320 442 V C -0.768 175.425 176.094 0.166 0.000 1.112 442 V CA -0.648 61.794 62.300 0.236 0.000 1.026 442 V CB 2.226 34.162 31.823 0.189 0.000 1.128 442 V HN 0.620 nan 8.190 nan 0.000 0.452 443 D N -0.459 120.028 120.400 0.145 0.000 2.334 443 D HA 0.507 5.148 4.640 0.002 0.000 0.182 443 D C -0.491 175.866 176.300 0.095 0.000 1.157 443 D CA 0.436 54.499 54.000 0.105 0.000 0.807 443 D CB 1.365 42.218 40.800 0.087 0.000 2.649 443 D HN 1.185 nan 8.370 nan 0.000 0.494 444 G N 0.556 109.412 108.800 0.093 0.000 2.473 444 G HA2 0.938 4.899 3.960 0.002 0.000 0.321 444 G HA3 0.938 4.899 3.960 0.002 0.000 0.321 444 G C -1.214 173.730 174.900 0.075 0.000 1.200 444 G CA -0.393 44.758 45.100 0.083 0.000 0.963 444 G HN 0.715 nan 8.290 nan 0.000 0.483 445 A N -0.562 122.295 122.820 0.062 0.000 2.547 445 A HA 0.795 5.116 4.320 0.002 0.000 0.300 445 A C -0.213 177.396 177.584 0.042 0.000 1.061 445 A CA 0.218 52.288 52.037 0.055 0.000 0.808 445 A CB 0.671 19.706 19.000 0.057 0.000 1.304 445 A HN 2.072 nan 8.150 nan 0.000 0.393 446 A N 1.741 124.583 122.820 0.037 0.000 2.263 446 A HA 0.876 5.197 4.320 0.002 0.000 0.318 446 A C -0.046 177.551 177.584 0.022 0.000 1.111 446 A CA -0.702 51.351 52.037 0.027 0.000 0.901 446 A CB 0.738 19.752 19.000 0.024 0.000 1.280 446 A HN 0.807 nan 8.150 nan 0.000 0.503 447 N N -0.906 117.804 118.700 0.016 0.000 2.407 447 N HA 0.280 5.021 4.740 0.002 0.000 0.277 447 N C 0.472 175.988 175.510 0.010 0.000 0.995 447 N CA -0.407 52.650 53.050 0.012 0.000 0.903 447 N CB 1.691 40.184 38.487 0.010 0.000 1.218 447 N HN 0.570 nan 8.380 nan 0.000 0.487 448 R N 2.051 122.556 120.500 0.008 0.000 2.159 448 R HA -0.086 4.255 4.340 0.002 0.000 0.237 448 R C 0.779 177.082 176.300 0.005 0.000 1.131 448 R CA 1.832 57.935 56.100 0.007 0.000 0.982 448 R CB 0.319 30.622 30.300 0.005 0.000 0.868 448 R HN 0.668 nan 8.270 nan 0.000 0.453 449 E N -2.821 117.382 120.200 0.005 0.000 2.330 449 E HA 0.082 4.433 4.350 0.002 0.000 0.200 449 E C 1.516 178.119 176.600 0.005 0.000 0.922 449 E CA 0.864 57.267 56.400 0.005 0.000 0.935 449 E CB 0.410 30.112 29.700 0.004 0.000 0.917 449 E HN 0.103 nan 8.360 nan 0.000 0.491 450 T N 0.519 115.076 114.554 0.006 0.000 2.851 450 T HA -0.050 4.301 4.350 0.002 0.000 0.262 450 T C 0.466 175.171 174.700 0.008 0.000 1.043 450 T CA 1.032 63.136 62.100 0.007 0.000 1.140 450 T CB -0.043 68.829 68.868 0.007 0.000 0.872 450 T HN -0.035 nan 8.240 nan 0.000 0.446 451 K N -0.250 120.156 120.400 0.010 0.000 3.339 451 K HA -0.088 4.233 4.320 0.002 0.000 0.299 451 K C -0.359 176.250 176.600 0.014 0.000 1.270 451 K CA 0.139 56.433 56.287 0.012 0.000 0.875 451 K CB -2.187 30.320 32.500 0.011 0.000 1.298 451 K HN 0.430 nan 8.250 nan 0.000 0.485 452 L N 0.286 121.518 121.223 0.014 0.000 2.292 452 L HA 0.584 4.926 4.340 0.002 0.000 0.284 452 L C 0.424 177.305 176.870 0.018 0.000 1.065 452 L CA -0.170 54.679 54.840 0.015 0.000 0.806 452 L CB 0.806 42.872 42.059 0.012 0.000 1.175 452 L HN 0.227 nan 8.230 nan 0.000 0.431 453 G N 4.026 112.839 108.800 0.022 0.000 2.481 453 G HA2 0.524 4.485 3.960 0.002 0.000 0.315 453 G HA3 0.524 4.485 3.960 0.002 0.000 0.315 453 G C -1.549 173.367 174.900 0.027 0.000 1.231 453 G CA -0.620 44.497 45.100 0.028 0.000 0.968 453 G HN 0.570 nan 8.290 nan 0.000 0.482 454 K N 0.545 120.962 120.400 0.029 0.000 2.502 454 K HA 0.615 4.937 4.320 0.002 0.000 0.254 454 K C -0.436 176.184 176.600 0.033 0.000 0.947 454 K CA -0.462 55.839 56.287 0.024 0.000 0.834 454 K CB 2.235 34.744 32.500 0.015 0.000 1.112 454 K HN 0.633 nan 8.250 nan 0.000 0.427 455 A N 2.026 124.867 122.820 0.036 0.000 2.320 455 A HA 0.963 5.284 4.320 0.002 0.000 0.334 455 A C -0.049 177.549 177.584 0.024 0.000 1.147 455 A CA -0.304 51.764 52.037 0.052 0.000 0.820 455 A CB 1.482 20.528 19.000 0.077 0.000 1.218 455 A HN 0.806 nan 8.150 nan 0.000 0.482 456 G N -0.962 107.866 108.800 0.046 0.000 2.341 456 G HA2 0.607 4.569 3.960 0.002 0.000 0.299 456 G HA3 0.607 4.569 3.960 0.002 0.000 0.299 456 G C -1.518 173.447 174.900 0.110 0.000 1.274 456 G CA 0.188 45.272 45.100 -0.027 0.000 0.853 456 G HN 2.049 nan 8.290 nan 0.000 0.493 457 Y N -2.495 117.868 120.300 0.105 0.000 2.624 457 Y HA 0.808 5.359 4.550 0.002 0.000 0.334 457 Y C -1.066 174.878 175.900 0.073 0.000 1.155 457 Y CA -1.615 56.568 58.100 0.137 0.000 1.046 457 Y CB 0.993 39.613 38.460 0.266 0.000 1.316 457 Y HN 0.665 nan 8.280 nan 0.000 0.457 458 V N 1.342 121.467 119.914 0.353 0.000 2.960 458 V HA 0.810 4.931 4.120 0.002 0.000 0.315 458 V C -0.405 175.770 176.094 0.135 0.000 1.087 458 V CA -0.597 61.824 62.300 0.202 0.000 0.982 458 V CB 2.098 33.964 31.823 0.071 0.000 1.039 458 V HN 0.997 nan 8.190 nan 0.000 0.437 459 T N 1.589 116.135 114.554 -0.013 0.000 2.916 459 T HA 0.268 4.619 4.350 0.002 0.000 0.292 459 T C 0.973 175.640 174.700 -0.056 0.000 1.055 459 T CA -0.480 61.519 62.100 -0.168 0.000 1.009 459 T CB 1.449 70.044 68.868 -0.456 0.000 1.118 459 T HN 0.869 nan 8.240 nan 0.000 0.497 460 N N 1.408 120.094 118.700 -0.023 0.000 2.409 460 N HA -0.080 4.661 4.740 0.002 0.000 0.179 460 N C 0.918 176.409 175.510 -0.032 0.000 1.032 460 N CA 0.639 53.691 53.050 0.005 0.000 0.898 460 N CB 0.063 38.583 38.487 0.055 0.000 0.971 460 N HN 0.438 nan 8.380 nan 0.000 0.441 461 R N 0.020 120.479 120.500 -0.069 0.000 2.363 461 R HA 0.173 4.514 4.340 0.002 0.000 0.236 461 R C 0.737 177.004 176.300 -0.055 0.000 0.966 461 R CA 0.409 56.474 56.100 -0.058 0.000 1.100 461 R CB -0.138 30.122 30.300 -0.066 0.000 1.125 461 R HN 0.399 nan 8.270 nan 0.000 0.514 462 G N 1.763 110.530 108.800 -0.055 0.000 2.184 462 G HA2 -0.387 3.575 3.960 0.002 0.000 0.264 462 G HA3 -0.387 3.575 3.960 0.002 0.000 0.264 462 G C 0.318 175.204 174.900 -0.025 0.000 0.975 462 G CA 0.438 45.516 45.100 -0.035 0.000 0.642 462 G HN 0.414 nan 8.290 nan 0.000 0.536 463 R N 1.052 121.529 120.500 -0.039 0.000 2.641 463 R HA 0.566 4.908 4.340 0.002 0.000 0.269 463 R C 0.474 176.830 176.300 0.094 0.000 1.074 463 R CA 0.583 56.694 56.100 0.017 0.000 1.133 463 R CB 0.238 30.540 30.300 0.002 0.000 1.029 463 R HN 0.624 nan 8.270 nan 0.000 0.488 464 Q N 1.673 121.550 119.800 0.129 0.000 2.545 464 Q HA 0.330 4.671 4.340 0.002 0.000 0.273 464 Q C -1.885 173.999 176.000 -0.194 0.000 0.975 464 Q CA -1.265 54.557 55.803 0.031 0.000 0.876 464 Q CB 1.792 30.529 28.738 -0.002 0.000 1.472 464 Q HN 0.551 nan 8.270 nan 0.000 0.389 465 K N 0.284 120.361 120.400 -0.539 0.000 2.572 465 K HA 0.675 4.997 4.320 0.002 0.000 0.263 465 K C -2.328 174.009 176.600 -0.437 0.000 0.932 465 K CA -0.715 55.280 56.287 -0.487 0.000 0.838 465 K CB 2.843 35.011 32.500 -0.553 0.000 1.366 465 K HN 0.571 nan 8.250 nan 0.000 0.425 466 V N 4.550 124.331 119.914 -0.222 0.000 2.789 466 V HA 0.826 4.948 4.120 0.002 0.000 0.311 466 V C -1.263 174.781 176.094 -0.083 0.000 1.073 466 V CA -0.152 62.067 62.300 -0.135 0.000 0.921 466 V CB 1.898 33.672 31.823 -0.081 0.000 1.009 466 V HN 0.775 nan 8.190 nan 0.000 0.426 467 V N 2.848 122.733 119.914 -0.048 0.000 3.126 467 V HA 0.808 4.930 4.120 0.002 0.000 0.314 467 V C -0.308 175.785 176.094 -0.001 0.000 1.138 467 V CA -0.466 61.822 62.300 -0.020 0.000 1.034 467 V CB 2.125 33.945 31.823 -0.005 0.000 1.075 467 V HN 0.855 nan 8.190 nan 0.000 0.442 468 T N 3.586 118.143 114.554 0.005 0.000 2.770 468 T HA 0.749 5.101 4.350 0.002 0.000 0.283 468 T C -0.543 174.169 174.700 0.021 0.000 0.988 468 T CA -0.098 62.009 62.100 0.012 0.000 0.957 468 T CB 0.788 69.661 68.868 0.007 0.000 0.930 468 T HN 0.604 nan 8.240 nan 0.000 0.443 469 L N 3.259 124.498 121.223 0.027 0.000 2.325 469 L HA 0.672 5.014 4.340 0.002 0.000 0.278 469 L C 0.825 177.711 176.870 0.026 0.000 1.023 469 L CA -0.806 54.053 54.840 0.032 0.000 0.811 469 L CB 1.684 43.769 42.059 0.043 0.000 1.249 469 L HN 0.665 nan 8.230 nan 0.000 0.431 470 T N -2.623 111.946 114.554 0.025 0.000 2.855 470 T HA 0.382 4.734 4.350 0.002 0.000 0.281 470 T C -0.306 174.406 174.700 0.020 0.000 1.007 470 T CA -0.765 61.347 62.100 0.020 0.000 1.009 470 T CB 1.214 70.092 68.868 0.017 0.000 0.983 470 T HN 0.606 nan 8.240 nan 0.000 0.455 471 D N 1.597 122.007 120.400 0.017 0.000 2.802 471 D HA -0.139 4.502 4.640 0.002 0.000 0.229 471 D C 0.440 176.751 176.300 0.019 0.000 1.203 471 D CA 1.639 55.649 54.000 0.016 0.000 0.712 471 D CB -1.139 39.669 40.800 0.014 0.000 0.973 471 D HN 1.035 nan 8.370 nan 0.000 0.407 472 T N -3.331 111.237 114.554 0.022 0.000 2.888 472 T HA 0.747 5.099 4.350 0.002 0.000 0.288 472 T C 0.429 175.142 174.700 0.022 0.000 1.063 472 T CA -0.536 61.580 62.100 0.026 0.000 1.010 472 T CB 2.416 71.305 68.868 0.036 0.000 1.214 472 T HN 0.083 nan 8.240 nan 0.000 0.533 473 T N -0.644 113.923 114.554 0.020 0.000 2.944 473 T HA 0.378 4.730 4.350 0.002 0.000 0.284 473 T C 1.090 175.799 174.700 0.015 0.000 1.010 473 T CA -0.830 61.275 62.100 0.008 0.000 1.025 473 T CB 1.019 69.880 68.868 -0.011 0.000 1.079 473 T HN 0.572 nan 8.240 nan 0.000 0.516 474 N N 0.284 118.988 118.700 0.007 0.000 2.272 474 N HA -0.147 4.594 4.740 0.002 0.000 0.185 474 N C 1.760 177.280 175.510 0.017 0.000 1.014 474 N CA 1.137 54.199 53.050 0.020 0.000 0.870 474 N CB -0.196 38.301 38.487 0.016 0.000 0.975 474 N HN 0.585 nan 8.380 nan 0.000 0.433 475 Q N 0.479 120.254 119.800 -0.040 0.000 2.016 475 Q HA -0.103 4.238 4.340 0.002 0.000 0.200 475 Q C 1.805 177.863 176.000 0.098 0.000 0.978 475 Q CA 1.211 56.956 55.803 -0.095 0.000 0.833 475 Q CB -0.234 28.325 28.738 -0.298 0.000 0.895 475 Q HN 0.325 nan 8.270 nan 0.000 0.427 476 K N 0.309 120.756 120.400 0.078 0.000 2.211 476 K HA -0.080 4.242 4.320 0.002 0.000 0.203 476 K C 2.258 178.924 176.600 0.110 0.000 1.050 476 K CA 1.533 57.887 56.287 0.111 0.000 0.945 476 K CB -0.087 32.458 32.500 0.075 0.000 0.732 476 K HN 0.371 nan 8.250 nan 0.000 0.451 477 T N -1.258 113.353 114.554 0.094 0.000 2.812 477 T HA -0.084 4.268 4.350 0.002 0.000 0.264 477 T C 1.666 176.434 174.700 0.114 0.000 1.042 477 T CA 0.896 63.052 62.100 0.093 0.000 1.140 477 T CB -0.167 68.745 68.868 0.073 0.000 0.870 477 T HN 0.190 nan 8.240 nan 0.000 0.445 478 E N 0.661 120.940 120.200 0.132 0.000 2.153 478 E HA -0.008 4.344 4.350 0.002 0.000 0.194 478 E C 1.935 178.621 176.600 0.145 0.000 0.988 478 E CA 0.680 57.168 56.400 0.146 0.000 0.811 478 E CB -0.203 29.607 29.700 0.183 0.000 0.746 478 E HN 0.275 nan 8.360 nan 0.000 0.466 479 L N 0.707 122.024 121.223 0.156 0.000 2.179 479 L HA -0.114 4.228 4.340 0.002 0.000 0.208 479 L C 2.226 179.170 176.870 0.123 0.000 1.096 479 L CA 1.393 56.303 54.840 0.117 0.000 0.779 479 L CB -0.143 41.986 42.059 0.118 0.000 0.922 479 L HN 0.039 nan 8.230 nan 0.000 0.443 480 Q N -0.909 118.973 119.800 0.137 0.000 2.167 480 Q HA -0.053 4.288 4.340 0.002 0.000 0.202 480 Q C 2.257 178.369 176.000 0.187 0.000 0.970 480 Q CA 1.377 57.287 55.803 0.178 0.000 0.855 480 Q CB -0.134 28.692 28.738 0.145 0.000 0.911 480 Q HN 0.536 nan 8.270 nan 0.000 0.438 481 A N 0.824 123.735 122.820 0.152 0.000 1.930 481 A HA -0.138 4.183 4.320 0.002 0.000 0.217 481 A C 1.970 179.644 177.584 0.150 0.000 1.175 481 A CA 0.876 53.009 52.037 0.159 0.000 0.627 481 A CB -0.347 18.742 19.000 0.148 0.000 0.815 481 A HN 0.238 nan 8.150 nan 0.000 0.443 482 I N -1.473 119.168 120.570 0.118 0.000 2.142 482 I HA -0.209 3.963 4.170 0.002 0.000 0.240 482 I C 2.385 178.546 176.117 0.074 0.000 1.078 482 I CA 1.430 62.770 61.300 0.066 0.000 1.343 482 I CB -1.649 36.379 38.000 0.047 0.000 1.046 482 I HN 0.506 nan 8.210 nan 0.000 0.405 483 Y N 1.776 122.064 120.300 -0.020 0.000 2.114 483 Y HA -0.239 4.313 4.550 0.002 0.000 0.282 483 Y C 2.603 178.492 175.900 -0.019 0.000 1.165 483 Y CA 1.422 59.503 58.100 -0.031 0.000 1.148 483 Y CB -0.712 37.743 38.460 -0.008 0.000 0.972 483 Y HN 0.024 nan 8.280 nan 0.000 0.504 484 L N -0.686 120.522 121.223 -0.025 0.000 2.043 484 L HA -0.291 4.050 4.340 0.002 0.000 0.212 484 L C 2.568 179.405 176.870 -0.056 0.000 1.075 484 L CA 1.616 56.442 54.840 -0.023 0.000 0.752 484 L CB -0.905 41.274 42.059 0.199 0.000 0.891 484 L HN 0.374 nan 8.230 nan 0.000 0.432 485 A N -0.740 121.998 122.820 -0.136 0.000 2.014 485 A HA -0.089 4.232 4.320 0.002 0.000 0.218 485 A C 2.152 179.300 177.584 -0.728 0.000 1.163 485 A CA 0.876 52.538 52.037 -0.625 0.000 0.652 485 A CB -0.309 18.367 19.000 -0.540 0.000 0.808 485 A HN 0.396 nan 8.150 nan 0.000 0.449 486 L N -1.121 119.867 121.223 -0.393 0.000 2.095 486 L HA -0.177 4.165 4.340 0.002 0.000 0.204 486 L C 2.834 179.527 176.870 -0.294 0.000 1.080 486 L CA 1.122 55.775 54.840 -0.313 0.000 0.759 486 L CB -0.604 41.366 42.059 -0.147 0.000 0.914 486 L HN 0.455 nan 8.230 nan 0.000 0.439 487 Q N 0.033 119.636 119.800 -0.328 0.000 2.061 487 Q HA -0.217 4.125 4.340 0.002 0.000 0.204 487 Q C 1.194 177.092 176.000 -0.170 0.000 0.984 487 Q CA 1.600 57.241 55.803 -0.269 0.000 0.846 487 Q CB -0.063 28.456 28.738 -0.365 0.000 0.902 487 Q HN 0.470 nan 8.270 nan 0.000 0.421 488 D N 0.056 120.360 120.400 -0.160 0.000 2.339 488 D HA 0.017 4.658 4.640 0.002 0.000 0.217 488 D C 0.438 176.731 176.300 -0.012 0.000 1.050 488 D CA 0.250 54.237 54.000 -0.023 0.000 0.856 488 D CB 0.239 41.137 40.800 0.163 0.000 0.922 488 D HN 0.139 nan 8.370 nan 0.000 0.518 489 S N -0.911 114.673 115.700 -0.193 0.000 2.745 489 S HA 0.695 5.167 4.470 0.002 0.000 0.292 489 S C 0.793 175.357 174.600 -0.061 0.000 1.133 489 S CA -0.740 57.395 58.200 -0.108 0.000 0.998 489 S CB 1.980 64.935 63.200 -0.408 0.000 1.087 489 S HN 0.036 nan 8.310 nan 0.000 0.551 490 G N -0.317 108.479 108.800 -0.006 0.000 2.508 490 G HA2 0.394 4.355 3.960 0.002 0.000 0.278 490 G HA3 0.394 4.355 3.960 0.002 0.000 0.278 490 G C 0.402 175.286 174.900 -0.026 0.000 1.389 490 G CA -0.709 44.386 45.100 -0.008 0.000 1.050 490 G HN 0.528 nan 8.290 nan 0.000 0.522 491 L N -0.188 121.029 121.223 -0.010 0.000 2.275 491 L HA 0.143 4.484 4.340 0.002 0.000 0.215 491 L C 1.471 178.339 176.870 -0.004 0.000 1.119 491 L CA 1.044 55.879 54.840 -0.009 0.000 0.790 491 L CB -0.893 41.168 42.059 0.004 0.000 0.919 491 L HN 0.494 nan 8.230 nan 0.000 0.443 492 E N -1.563 118.639 120.200 0.003 0.000 2.235 492 E HA 0.636 4.987 4.350 0.002 0.000 0.265 492 E C -1.208 175.398 176.600 0.010 0.000 0.940 492 E CA -0.597 55.810 56.400 0.012 0.000 0.819 492 E CB 3.082 32.796 29.700 0.023 0.000 1.206 492 E HN -0.218 nan 8.360 nan 0.000 0.409 493 V N 1.757 121.682 119.914 0.019 0.000 2.872 493 V HA 0.153 4.274 4.120 0.002 0.000 0.257 493 V C -2.149 173.976 176.094 0.050 0.000 1.698 493 V CA -0.840 61.473 62.300 0.022 0.000 0.913 493 V CB 2.001 33.761 31.823 -0.105 0.000 1.269 493 V HN 0.682 nan 8.190 nan 0.000 0.463 494 N N 6.172 124.930 118.700 0.097 0.000 2.419 494 N HA 0.642 5.383 4.740 0.002 0.000 0.277 494 N C -0.817 174.729 175.510 0.059 0.000 1.006 494 N CA -0.158 52.966 53.050 0.124 0.000 0.923 494 N CB 2.170 40.742 38.487 0.143 0.000 1.140 494 N HN 0.690 nan 8.380 nan 0.000 0.488 495 I N 1.670 122.238 120.570 -0.004 0.000 2.406 495 I HA 0.310 4.481 4.170 0.002 0.000 0.290 495 I C -0.370 175.684 176.117 -0.105 0.000 0.999 495 I CA -0.971 60.297 61.300 -0.053 0.000 1.124 495 I CB 1.896 39.848 38.000 -0.079 0.000 1.289 495 I HN -0.018 nan 8.210 nan 0.000 0.441 496 V N 4.921 124.733 119.914 -0.171 0.000 2.384 496 V HA 0.480 4.601 4.120 0.002 0.000 0.287 496 V C 0.037 176.079 176.094 -0.087 0.000 1.020 496 V CA -0.321 61.855 62.300 -0.206 0.000 0.850 496 V CB 1.651 33.160 31.823 -0.522 0.000 0.987 496 V HN 0.807 nan 8.190 nan 0.000 0.436 497 T N 1.574 116.098 114.554 -0.050 0.000 2.907 497 T HA 0.403 4.754 4.350 0.002 0.000 0.290 497 T C 0.174 174.809 174.700 -0.108 0.000 1.066 497 T CA -0.322 61.772 62.100 -0.009 0.000 1.012 497 T CB 1.883 70.785 68.868 0.056 0.000 1.184 497 T HN 0.833 nan 8.240 nan 0.000 0.522 498 D N 0.308 120.662 120.400 -0.077 0.000 2.441 498 D HA 0.106 4.748 4.640 0.002 0.000 0.210 498 D C 0.546 176.922 176.300 0.127 0.000 1.102 498 D CA -0.130 53.748 54.000 -0.205 0.000 0.840 498 D CB 0.120 40.822 40.800 -0.164 0.000 0.990 498 D HN 0.290 nan 8.370 nan 0.000 0.505 499 S N 1.110 116.944 115.700 0.224 0.000 2.411 499 S HA 0.017 4.488 4.470 0.002 0.000 0.304 499 S C 1.095 175.916 174.600 0.368 0.000 1.098 499 S CA -0.461 57.914 58.200 0.292 0.000 1.068 499 S CB 1.017 64.360 63.200 0.239 0.000 1.032 499 S HN 0.084 nan 8.310 nan 0.000 0.511 500 Q N 4.070 124.091 119.800 0.368 0.000 2.124 500 Q HA -0.186 4.156 4.340 0.002 0.000 0.202 500 Q C 1.280 177.341 176.000 0.102 0.000 0.977 500 Q CA 1.688 57.548 55.803 0.094 0.000 0.850 500 Q CB -0.260 28.442 28.738 -0.061 0.000 0.901 500 Q HN 1.010 nan 8.270 nan 0.000 0.429 501 Y N 0.529 120.864 120.300 0.058 0.000 2.097 501 Y HA -0.273 4.279 4.550 0.002 0.000 0.282 501 Y C 2.114 178.048 175.900 0.056 0.000 1.152 501 Y CA 2.111 60.243 58.100 0.053 0.000 1.136 501 Y CB -0.719 37.780 38.460 0.065 0.000 0.975 501 Y HN 0.130 nan 8.280 nan 0.000 0.498 502 A N 0.299 123.056 122.820 -0.105 0.000 1.902 502 A HA -0.180 4.141 4.320 0.002 0.000 0.217 502 A C 2.242 179.749 177.584 -0.127 0.000 1.181 502 A CA 1.727 53.639 52.037 -0.209 0.000 0.623 502 A CB -1.323 17.682 19.000 0.008 0.000 0.818 502 A HN 0.591 nan 8.150 nan 0.000 0.443 503 L N 0.208 121.423 121.223 -0.014 0.000 2.012 503 L HA -0.084 4.257 4.340 0.002 0.000 0.210 503 L C 2.431 179.288 176.870 -0.022 0.000 1.073 503 L CA 2.454 57.294 54.840 0.000 0.000 0.748 503 L CB -1.116 40.960 42.059 0.029 0.000 0.891 503 L HN 0.318 nan 8.230 nan 0.000 0.431 504 G N -0.142 108.630 108.800 -0.048 0.000 2.491 504 G HA2 -0.286 3.676 3.960 0.002 0.000 0.218 504 G HA3 -0.286 3.676 3.960 0.002 0.000 0.218 504 G C 1.611 176.541 174.900 0.050 0.000 1.180 504 G CA 1.331 46.437 45.100 0.010 0.000 0.774 504 G HN 0.494 nan 8.290 nan 0.000 0.562 505 I N 0.266 120.767 120.570 -0.115 0.000 2.091 505 I HA -0.208 3.963 4.170 0.002 0.000 0.239 505 I C 2.626 178.725 176.117 -0.030 0.000 1.061 505 I CA 1.151 62.356 61.300 -0.158 0.000 1.317 505 I CB -0.333 37.405 38.000 -0.437 0.000 1.031 505 I HN 0.099 nan 8.210 nan 0.000 0.401 506 I N 0.236 120.790 120.570 -0.026 0.000 2.286 506 I HA -0.246 3.925 4.170 0.002 0.000 0.245 506 I C 2.541 178.740 176.117 0.138 0.000 1.104 506 I CA 1.252 62.589 61.300 0.061 0.000 1.397 506 I CB -0.637 37.379 38.000 0.025 0.000 1.072 506 I HN 0.185 nan 8.210 nan 0.000 0.417 507 Q N 0.769 120.640 119.800 0.117 0.000 2.248 507 Q HA -0.132 4.209 4.340 0.002 0.000 0.208 507 Q C 2.029 178.148 176.000 0.199 0.000 0.984 507 Q CA 1.785 57.678 55.803 0.150 0.000 0.875 507 Q CB -0.241 28.592 28.738 0.158 0.000 0.910 507 Q HN 0.550 nan 8.270 nan 0.000 0.433 508 A N -0.623 122.343 122.820 0.243 0.000 2.238 508 A HA -0.003 4.319 4.320 0.002 0.000 0.208 508 A C -0.046 177.655 177.584 0.196 0.000 1.177 508 A CA 0.455 52.639 52.037 0.246 0.000 0.804 508 A CB -0.011 19.188 19.000 0.331 0.000 0.823 508 A HN 0.475 nan 8.150 nan 0.000 0.482 509 Q N -1.917 117.979 119.800 0.161 0.000 2.470 509 Q HA -0.123 4.218 4.340 0.002 0.000 0.294 509 Q C -2.300 173.740 176.000 0.066 0.000 1.356 509 Q CA 0.342 56.177 55.803 0.054 0.000 0.805 509 Q CB -2.153 26.523 28.738 -0.103 0.000 1.157 509 Q HN 0.462 nan 8.270 nan 0.000 0.431 510 P HA -0.055 nan 4.420 nan 0.000 0.268 510 P C 0.362 177.785 177.300 0.206 0.000 1.208 510 P CA 0.582 63.770 63.100 0.146 0.000 0.777 510 P CB 0.428 32.215 31.700 0.144 0.000 0.875 511 D N -0.592 119.900 120.400 0.152 0.000 2.520 511 D HA 0.060 4.701 4.640 0.002 0.000 0.223 511 D C -0.114 176.246 176.300 0.099 0.000 1.186 511 D CA 0.265 54.377 54.000 0.187 0.000 0.821 511 D CB 0.159 41.139 40.800 0.300 0.000 1.072 511 D HN 0.322 nan 8.370 nan 0.000 0.518 512 Q N -0.358 119.500 119.800 0.097 0.000 2.421 512 Q HA 0.715 5.056 4.340 0.002 0.000 0.280 512 Q C -1.426 174.641 176.000 0.112 0.000 1.085 512 Q CA -0.877 54.971 55.803 0.074 0.000 0.807 512 Q CB 2.787 31.566 28.738 0.068 0.000 1.405 512 Q HN 0.008 nan 8.270 nan 0.000 0.419 513 S N -0.505 115.254 115.700 0.097 0.000 2.543 513 S HA 0.114 4.586 4.470 0.002 0.000 0.274 513 S C -0.116 174.536 174.600 0.087 0.000 1.149 513 S CA -0.541 57.753 58.200 0.156 0.000 0.866 513 S CB 1.069 64.427 63.200 0.264 0.000 1.111 513 S HN 0.694 nan 8.310 nan 0.000 0.457 514 E N 1.078 121.321 120.200 0.071 0.000 2.110 514 E HA -0.050 4.302 4.350 0.002 0.000 0.193 514 E C 0.864 177.496 176.600 0.053 0.000 0.988 514 E CA 0.566 56.990 56.400 0.040 0.000 0.804 514 E CB -0.386 29.326 29.700 0.018 0.000 0.745 514 E HN 0.375 nan 8.360 nan 0.000 0.458 515 S N 0.656 116.415 115.700 0.097 0.000 2.549 515 S HA 0.005 4.476 4.470 0.002 0.000 0.283 515 S C 0.975 175.586 174.600 0.019 0.000 1.320 515 S CA -0.220 58.025 58.200 0.076 0.000 1.058 515 S CB 1.303 64.576 63.200 0.122 0.000 0.882 515 S HN 0.144 nan 8.310 nan 0.000 0.498 516 E N 3.630 123.825 120.200 -0.008 0.000 2.046 516 E HA -0.016 4.335 4.350 0.002 0.000 0.190 516 E C 1.860 178.397 176.600 -0.106 0.000 0.982 516 E CA 0.978 57.350 56.400 -0.047 0.000 0.800 516 E CB -0.249 29.428 29.700 -0.039 0.000 0.756 516 E HN 0.768 nan 8.360 nan 0.000 0.449 517 L N -0.057 121.101 121.223 -0.108 0.000 1.990 517 L HA -0.229 4.112 4.340 0.002 0.000 0.213 517 L C 2.214 178.950 176.870 -0.223 0.000 1.072 517 L CA 1.456 56.176 54.840 -0.199 0.000 0.755 517 L CB -0.305 41.694 42.059 -0.099 0.000 0.889 517 L HN 0.153 nan 8.230 nan 0.000 0.432 518 V N 0.033 119.879 119.914 -0.114 0.000 2.343 518 V HA -0.285 3.836 4.120 0.002 0.000 0.247 518 V C 2.230 178.261 176.094 -0.105 0.000 1.051 518 V CA 1.876 64.112 62.300 -0.106 0.000 1.036 518 V CB -0.763 31.023 31.823 -0.061 0.000 0.654 518 V HN 0.518 nan 8.190 nan 0.000 0.451 519 N N -0.225 118.425 118.700 -0.084 0.000 2.166 519 N HA -0.173 4.569 4.740 0.002 0.000 0.186 519 N C 1.939 177.370 175.510 -0.133 0.000 1.019 519 N CA 1.282 54.283 53.050 -0.083 0.000 0.856 519 N CB -0.162 38.289 38.487 -0.060 0.000 0.993 519 N HN 0.603 nan 8.380 nan 0.000 0.426 520 Q N 0.717 120.386 119.800 -0.219 0.000 2.002 520 Q HA -0.061 4.281 4.340 0.002 0.000 0.204 520 Q C 2.218 178.066 176.000 -0.253 0.000 0.988 520 Q CA 1.164 56.774 55.803 -0.322 0.000 0.843 520 Q CB -0.163 28.135 28.738 -0.733 0.000 0.908 520 Q HN 0.356 nan 8.270 nan 0.000 0.420 521 I N 0.522 120.912 120.570 -0.300 0.000 2.248 521 I HA -0.326 3.845 4.170 0.002 0.000 0.248 521 I C 2.157 178.204 176.117 -0.117 0.000 1.107 521 I CA 1.150 62.388 61.300 -0.104 0.000 1.373 521 I CB -0.299 37.640 38.000 -0.101 0.000 1.055 521 I HN 0.264 nan 8.210 nan 0.000 0.418 522 I N 0.769 121.259 120.570 -0.133 0.000 2.202 522 I HA -0.289 3.882 4.170 0.002 0.000 0.242 522 I C 2.707 178.737 176.117 -0.146 0.000 1.091 522 I CA 1.624 62.832 61.300 -0.153 0.000 1.368 522 I CB -0.518 37.447 38.000 -0.058 0.000 1.058 522 I HN 0.348 nan 8.210 nan 0.000 0.410 523 E N 0.988 121.131 120.200 -0.096 0.000 2.114 523 E HA -0.319 4.032 4.350 0.002 0.000 0.199 523 E C 2.017 178.582 176.600 -0.059 0.000 1.008 523 E CA 1.353 57.710 56.400 -0.072 0.000 0.810 523 E CB -0.319 29.353 29.700 -0.046 0.000 0.739 523 E HN 0.500 nan 8.360 nan 0.000 0.456 524 Q N 0.636 120.412 119.800 -0.039 0.000 2.046 524 Q HA -0.061 4.280 4.340 0.002 0.000 0.200 524 Q C 2.612 178.549 176.000 -0.105 0.000 0.975 524 Q CA 1.160 56.942 55.803 -0.036 0.000 0.836 524 Q CB -0.269 28.482 28.738 0.022 0.000 0.896 524 Q HN 0.449 nan 8.270 nan 0.000 0.428 525 L N 0.486 121.585 121.223 -0.207 0.000 2.081 525 L HA -0.228 4.113 4.340 0.002 0.000 0.212 525 L C 2.302 179.035 176.870 -0.228 0.000 1.080 525 L CA 0.717 55.347 54.840 -0.349 0.000 0.754 525 L CB -0.492 41.065 42.059 -0.836 0.000 0.893 525 L HN 0.226 nan 8.230 nan 0.000 0.433 526 I N 0.479 120.963 120.570 -0.143 0.000 2.226 526 I HA -0.292 3.880 4.170 0.002 0.000 0.245 526 I C 2.578 178.716 176.117 0.035 0.000 1.100 526 I CA 1.686 63.004 61.300 0.031 0.000 1.374 526 I CB -1.129 36.898 38.000 0.044 0.000 1.057 526 I HN 0.437 nan 8.210 nan 0.000 0.413 527 K N 1.140 121.536 120.400 -0.006 0.000 2.288 527 K HA -0.125 4.196 4.320 0.002 0.000 0.201 527 K C 1.058 177.659 176.600 0.002 0.000 1.048 527 K CA 0.502 56.790 56.287 0.002 0.000 0.956 527 K CB 0.150 32.643 32.500 -0.012 0.000 0.746 527 K HN -0.040 nan 8.250 nan 0.000 0.461 528 K N 1.336 121.728 120.400 -0.013 0.000 2.230 528 K HA 0.030 4.352 4.320 0.002 0.000 0.253 528 K C 0.707 177.320 176.600 0.022 0.000 1.008 528 K CA 0.201 56.482 56.287 -0.010 0.000 0.910 528 K CB 0.981 33.460 32.500 -0.035 0.000 0.994 528 K HN 0.043 nan 8.250 nan 0.000 0.495 529 E N 1.055 121.269 120.200 0.023 0.000 2.511 529 E HA 0.109 4.460 4.350 0.002 0.000 0.209 529 E C -0.750 175.876 176.600 0.044 0.000 0.986 529 E CA 0.365 56.787 56.400 0.037 0.000 0.974 529 E CB 0.520 30.236 29.700 0.028 0.000 1.030 529 E HN 0.328 nan 8.360 nan 0.000 0.490 530 K N 0.193 120.618 120.400 0.041 0.000 2.575 530 K HA 0.240 4.562 4.320 0.002 0.000 0.271 530 K C -1.624 175.009 176.600 0.055 0.000 1.013 530 K CA -0.216 56.105 56.287 0.056 0.000 0.939 530 K CB 2.144 34.673 32.500 0.048 0.000 1.328 530 K HN -0.216 nan 8.250 nan 0.000 0.450 531 V N 3.621 123.581 119.914 0.077 0.000 2.483 531 V HA 0.353 4.474 4.120 0.002 0.000 0.297 531 V C -1.227 174.946 176.094 0.131 0.000 1.027 531 V CA -0.868 61.471 62.300 0.066 0.000 0.855 531 V CB 1.412 33.243 31.823 0.012 0.000 0.995 531 V HN 0.658 nan 8.190 nan 0.000 0.424 532 Y N 5.879 126.181 120.300 0.004 0.000 2.328 532 Y HA 0.737 5.289 4.550 0.002 0.000 0.337 532 Y C -0.850 175.052 175.900 0.003 0.000 0.966 532 Y CA -0.924 57.183 58.100 0.012 0.000 1.136 532 Y CB 1.658 40.122 38.460 0.006 0.000 1.170 532 Y HN 0.610 nan 8.280 nan 0.000 0.470 533 L N 6.392 127.277 121.223 -0.564 0.000 2.296 533 L HA 0.909 5.250 4.340 0.002 0.000 0.286 533 L C -1.078 175.443 176.870 -0.581 0.000 1.023 533 L CA -0.290 54.304 54.840 -0.409 0.000 0.812 533 L CB 1.017 42.961 42.059 -0.191 0.000 1.223 533 L HN 0.749 nan 8.230 nan 0.000 0.421 534 A N 4.256 126.885 122.820 -0.318 0.000 2.454 534 A HA 0.702 5.024 4.320 0.002 0.000 0.302 534 A C -2.033 175.579 177.584 0.047 0.000 1.079 534 A CA -0.583 51.370 52.037 -0.140 0.000 0.731 534 A CB 0.894 19.890 19.000 -0.007 0.000 1.299 534 A HN 0.840 nan 8.150 nan 0.000 0.413 535 W N 1.650 122.910 121.300 -0.066 0.000 2.706 535 W HA 0.680 5.341 4.660 0.003 0.000 0.346 535 W C -1.588 174.929 176.519 -0.003 0.000 1.071 535 W CA -0.448 56.877 57.345 -0.034 0.000 1.206 535 W CB 1.647 31.084 29.460 -0.037 0.000 1.413 535 W HN 0.580 nan 8.180 nan 0.000 0.542 536 V N 5.206 124.407 119.914 -1.188 0.000 3.049 536 V HA 0.421 4.542 4.120 0.002 0.000 0.309 536 V C -2.213 172.779 176.094 -1.836 0.000 1.148 536 V CA -2.256 59.334 62.300 -1.184 0.000 0.990 536 V CB 2.440 33.988 31.823 -0.459 0.000 1.039 536 V HN 0.433 nan 8.190 nan 0.000 0.430 537 P HA 0.248 nan 4.420 nan 0.000 0.271 537 P C -0.551 176.478 177.300 -0.451 0.000 1.220 537 P CA 0.128 62.837 63.100 -0.650 0.000 0.768 537 P CB 0.487 32.053 31.700 -0.224 0.000 0.848 538 A N 3.871 126.437 122.820 -0.422 0.000 2.462 538 A HA 0.148 4.469 4.320 0.002 0.000 0.243 538 A C 0.349 177.455 177.584 -0.797 0.000 1.076 538 A CA -0.038 51.622 52.037 -0.628 0.000 0.773 538 A CB -1.051 17.484 19.000 -0.776 0.000 1.010 538 A HN 0.908 nan 8.150 nan 0.000 0.493 539 H N -0.198 118.852 119.070 -0.033 0.000 2.580 539 H HA -0.153 4.404 4.556 0.002 0.000 0.316 539 H C 0.089 175.405 175.328 -0.021 0.000 1.073 539 H CA 1.190 57.225 56.048 -0.022 0.000 1.135 539 H CB -1.536 28.222 29.762 -0.006 0.000 1.437 539 H HN 0.520 nan 8.280 nan 0.000 0.404 540 K N 0.492 120.888 120.400 -0.007 0.000 2.493 540 K HA 0.311 4.632 4.320 0.002 0.000 0.207 540 K C 1.515 178.112 176.600 -0.006 0.000 1.033 540 K CA 0.390 56.681 56.287 0.008 0.000 1.161 540 K CB 0.559 33.046 32.500 -0.022 0.000 0.873 540 K HN 0.741 nan 8.250 nan 0.000 0.491 541 G N 1.660 110.459 108.800 -0.002 0.000 2.153 541 G HA2 -0.227 3.734 3.960 0.002 0.000 0.252 541 G HA3 -0.227 3.734 3.960 0.002 0.000 0.252 541 G C 0.195 175.076 174.900 -0.031 0.000 0.994 541 G CA -0.342 44.751 45.100 -0.011 0.000 0.698 541 G HN 0.240 nan 8.290 nan 0.000 0.521 542 I N 1.615 122.156 120.570 -0.048 0.000 2.598 542 I HA 0.209 4.380 4.170 0.002 0.000 0.284 542 I C 2.165 178.240 176.117 -0.069 0.000 1.140 542 I CA 0.643 61.913 61.300 -0.051 0.000 1.420 542 I CB -0.083 37.879 38.000 -0.064 0.000 1.387 542 I HN 0.188 nan 8.210 nan 0.000 0.553 543 G N 5.995 114.752 108.800 -0.072 0.000 2.896 543 G HA2 -0.335 3.627 3.960 0.002 0.000 0.225 543 G HA3 -0.335 3.627 3.960 0.002 0.000 0.225 543 G C 1.443 176.196 174.900 -0.246 0.000 1.265 543 G CA 1.119 46.144 45.100 -0.126 0.000 0.778 543 G HN 0.805 nan 8.290 nan 0.000 0.714 544 G N 0.573 109.099 108.800 -0.457 0.000 2.475 544 G HA2 -0.307 3.654 3.960 0.002 0.000 0.220 544 G HA3 -0.307 3.654 3.960 0.002 0.000 0.220 544 G C 1.728 176.295 174.900 -0.556 0.000 1.125 544 G CA 1.517 45.933 45.100 -1.141 0.000 0.755 544 G HN 0.593 nan 8.290 nan 0.000 0.565 545 N N 0.562 119.166 118.700 -0.161 0.000 2.171 545 N HA -0.093 4.648 4.740 0.002 0.000 0.184 545 N C 2.062 177.548 175.510 -0.039 0.000 1.021 545 N CA 1.548 54.595 53.050 -0.005 0.000 0.854 545 N CB -0.306 38.174 38.487 -0.013 0.000 0.994 545 N HN 0.299 nan 8.380 nan 0.000 0.426 546 E N 0.335 120.497 120.200 -0.064 0.000 2.118 546 E HA -0.227 4.124 4.350 0.002 0.000 0.195 546 E C 1.828 178.404 176.600 -0.040 0.000 0.992 546 E CA 1.386 57.763 56.400 -0.038 0.000 0.804 546 E CB -0.296 29.380 29.700 -0.041 0.000 0.741 546 E HN 0.347 nan 8.360 nan 0.000 0.458 547 Q N -0.205 119.549 119.800 -0.077 0.000 2.002 547 Q HA -0.074 4.267 4.340 0.002 0.000 0.204 547 Q C 2.200 178.184 176.000 -0.027 0.000 0.988 547 Q CA 1.688 57.452 55.803 -0.066 0.000 0.843 547 Q CB -0.645 28.027 28.738 -0.110 0.000 0.908 547 Q HN 0.318 nan 8.270 nan 0.000 0.420 548 V N 0.766 120.678 119.914 -0.004 0.000 3.380 548 V HA -0.127 3.995 4.120 0.002 0.000 0.268 548 V C 1.386 177.501 176.094 0.036 0.000 1.168 548 V CA 1.609 63.932 62.300 0.038 0.000 1.156 548 V CB -0.158 31.731 31.823 0.111 0.000 0.785 548 V HN 0.424 nan 8.190 nan 0.000 0.487 549 D N 0.544 120.958 120.400 0.024 0.000 2.201 549 D HA -0.142 4.499 4.640 0.002 0.000 0.209 549 D C 2.129 178.444 176.300 0.025 0.000 0.961 549 D CA 1.334 55.354 54.000 0.032 0.000 0.861 549 D CB 0.203 41.023 40.800 0.034 0.000 0.997 549 D HN 0.695 nan 8.370 nan 0.000 0.486 550 K N 0.277 120.684 120.400 0.010 0.000 2.057 550 K HA -0.108 4.214 4.320 0.002 0.000 0.206 550 K C 2.165 178.766 176.600 0.001 0.000 1.050 550 K CA 0.709 56.999 56.287 0.004 0.000 0.935 550 K CB -0.443 32.053 32.500 -0.006 0.000 0.715 550 K HN 0.013 nan 8.250 nan 0.000 0.439 551 L N 1.849 123.071 121.223 -0.003 0.000 2.456 551 L HA 0.022 4.364 4.340 0.002 0.000 0.224 551 L C 0.835 177.700 176.870 -0.007 0.000 1.148 551 L CA 0.476 55.310 54.840 -0.010 0.000 0.825 551 L CB 0.123 42.172 42.059 -0.017 0.000 0.937 551 L HN 0.328 nan 8.230 nan 0.000 0.450 552 V N 0.000 119.917 119.914 0.005 0.000 2.409 552 V HA 0.000 4.121 4.120 0.002 0.000 0.244 552 V CA 0.000 62.305 62.300 0.009 0.000 1.235 552 V CB 0.000 31.837 31.823 0.023 0.000 1.184 552 V HN 0.000 nan 8.190 nan 0.000 0.556