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 1rti_1_A DATA FIRST_RESID 1 DATA SEQUENCE PISPIETVPV KLKPGMDGPK VKQWPLTEEK IKALVEICTE MEKEGKISKI DATA SEQUENCE GPENPYNTPV FAIKKKDSTK WRKLVDFREL NKRTQDFWEV QLGIPHPAGL DATA SEQUENCE KKKKSVTVLD VGDAYFSVPL DEDFRKYTAF TIPSINNETP GIRYQYNVLP DATA SEQUENCE QGWKGSPAIF QSSMTKILEP FRKQNPDIVI YQYMDDLYVG SDLEIGQHRT DATA SEQUENCE KIEELRQHLL RWGLTTPDKK HQKEPPFLWM GYELHPDKWT VQPIVLPEKD DATA SEQUENCE SWTVNDIQKL VGKLNWASQI YPGIKVRQLX KLLRGTKALT EVIPLTEEAE DATA SEQUENCE LELAENREIL KEPVHGVYYD PSKDLIAEIQ KQGQGQWTYQ IYQEPFKNLK DATA SEQUENCE TGKYARMRGA HTNDVKQLTE AVQKITTESI VIWGKTPKFK LPIQKETWET DATA SEQUENCE WWTEYWQATW IPEWEFVNTP PLVKLWYQLE KEPIVGAETF YVDGAANRET DATA SEQUENCE KLGKAGYVTN RGRQKVVTLT DTTNQKTELQ AIYLALQDSG LEVNIVTDSQ DATA SEQUENCE YALGIIQAQP DQSESELVNQ IIEQLIKKEK VYLAWVPAHK GIG 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 0.000 177.368 177.300 0.114 0.000 1.155 1 P CA 0.000 63.157 63.100 0.095 0.000 0.800 1 P CB 0.000 31.761 31.700 0.101 0.000 0.726 2 I N 1.659 122.288 120.570 0.098 0.000 2.534 2 I HA 0.356 4.542 4.170 0.027 0.000 0.286 2 I C 0.060 176.238 176.117 0.101 0.000 1.094 2 I CA -0.160 61.203 61.300 0.105 0.000 1.055 2 I CB 1.792 39.843 38.000 0.083 0.000 1.225 2 I HN 0.578 nan 8.210 nan 0.000 0.435 3 S N 7.619 123.398 115.700 0.131 0.000 2.585 3 S HA 0.449 4.935 4.470 0.027 0.000 0.273 3 S C -2.030 172.649 174.600 0.131 0.000 1.339 3 S CA -0.839 57.453 58.200 0.153 0.000 1.028 3 S CB 0.909 64.240 63.200 0.218 0.000 0.906 3 S HN 0.623 nan 8.310 nan 0.000 0.528 4 P HA 0.354 nan 4.420 nan 0.000 0.231 4 P C -0.593 176.807 177.300 0.165 0.000 1.833 4 P CA -0.272 62.888 63.100 0.100 0.000 1.023 4 P CB -0.280 31.436 31.700 0.026 0.000 1.643 5 I N -0.146 120.540 120.570 0.193 0.000 2.499 5 I HA 0.208 4.394 4.170 0.027 0.000 0.296 5 I C 0.368 176.555 176.117 0.116 0.000 0.992 5 I CA -1.283 60.130 61.300 0.188 0.000 1.297 5 I CB 0.939 39.035 38.000 0.160 0.000 1.410 5 I HN -0.090 nan 8.210 nan 0.000 0.507 6 E N 4.404 124.662 120.200 0.097 0.000 2.415 6 E HA 0.108 4.474 4.350 0.027 0.000 0.263 6 E C -0.103 176.534 176.600 0.062 0.000 0.995 6 E CA 0.064 56.507 56.400 0.072 0.000 0.915 6 E CB 0.195 29.932 29.700 0.062 0.000 0.951 6 E HN 0.715 nan 8.360 nan 0.000 0.449 7 T N -0.956 113.636 114.554 0.064 0.000 2.860 7 T HA 0.202 4.569 4.350 0.027 0.000 0.299 7 T C 0.284 175.022 174.700 0.063 0.000 1.045 7 T CA -0.929 61.209 62.100 0.064 0.000 1.071 7 T CB 0.835 69.744 68.868 0.068 0.000 0.985 7 T HN 0.109 nan 8.240 nan 0.000 0.537 8 V N 4.172 124.127 119.914 0.068 0.000 2.439 8 V HA 0.369 4.505 4.120 0.027 0.000 0.282 8 V C -1.843 174.313 176.094 0.102 0.000 1.039 8 V CA -2.056 60.291 62.300 0.079 0.000 0.913 8 V CB 1.110 32.980 31.823 0.079 0.000 0.983 8 V HN 0.867 nan 8.190 nan 0.000 0.460 9 P HA 0.126 nan 4.420 nan 0.000 0.264 9 P C -0.743 176.639 177.300 0.137 0.000 1.236 9 P CA 0.264 63.431 63.100 0.113 0.000 0.811 9 P CB 0.703 32.457 31.700 0.090 0.000 0.840 10 V N 5.594 125.598 119.914 0.149 0.000 2.555 10 V HA 0.469 4.605 4.120 0.027 0.000 0.302 10 V C 0.510 176.745 176.094 0.234 0.000 1.038 10 V CA -0.423 61.961 62.300 0.140 0.000 0.887 10 V CB 1.897 33.712 31.823 -0.013 0.000 0.991 10 V HN 0.552 nan 8.190 nan 0.000 0.434 11 K N 4.209 124.730 120.400 0.200 0.000 2.482 11 K HA 0.754 5.090 4.320 0.027 0.000 0.257 11 K C -1.277 175.434 176.600 0.185 0.000 0.969 11 K CA -0.989 55.446 56.287 0.246 0.000 0.842 11 K CB 2.218 34.802 32.500 0.140 0.000 1.359 11 K HN 0.371 nan 8.250 nan 0.000 0.441 12 L N 1.439 122.732 121.223 0.116 0.000 2.475 12 L HA 0.257 4.613 4.340 0.027 0.000 0.253 12 L C 0.531 177.399 176.870 -0.002 0.000 1.198 12 L CA -0.660 54.192 54.840 0.020 0.000 0.814 12 L CB 0.305 42.272 42.059 -0.153 0.000 1.134 12 L HN 0.562 nan 8.230 nan 0.000 0.478 13 K N 1.574 121.966 120.400 -0.015 0.000 2.380 13 K HA 0.098 4.434 4.320 0.027 0.000 0.267 13 K C -2.143 174.451 176.600 -0.011 0.000 0.990 13 K CA -1.301 54.974 56.287 -0.019 0.000 0.946 13 K CB -0.057 32.434 32.500 -0.014 0.000 0.937 13 K HN 0.357 nan 8.250 nan 0.000 0.491 14 P HA -0.126 nan 4.420 nan 0.000 0.255 14 P C 0.454 177.757 177.300 0.006 0.000 1.173 14 P CA 0.881 63.981 63.100 0.001 0.000 0.780 14 P CB 0.128 31.828 31.700 -0.001 0.000 0.758 15 G N 2.691 111.497 108.800 0.011 0.000 2.184 15 G HA2 -0.271 3.705 3.960 0.027 0.000 0.264 15 G HA3 -0.271 3.705 3.960 0.027 0.000 0.264 15 G C 0.160 175.070 174.900 0.016 0.000 0.975 15 G CA 0.060 45.169 45.100 0.017 0.000 0.642 15 G HN 0.475 nan 8.290 nan 0.000 0.536 16 M N -0.012 119.590 119.600 0.003 0.000 2.444 16 M HA 0.585 5.081 4.480 0.027 0.000 0.319 16 M C -0.019 176.269 176.300 -0.019 0.000 1.183 16 M CA -0.520 54.778 55.300 -0.004 0.000 1.032 16 M CB 1.246 33.837 32.600 -0.014 0.000 1.569 16 M HN 0.188 nan 8.290 nan 0.000 0.468 17 D N -0.109 120.289 120.400 -0.004 0.000 2.423 17 D HA 0.544 5.200 4.640 0.027 0.000 0.235 17 D C -0.214 176.042 176.300 -0.074 0.000 1.011 17 D CA -0.227 53.784 54.000 0.018 0.000 0.963 17 D CB 1.571 42.457 40.800 0.143 0.000 1.349 17 D HN 0.664 nan 8.370 nan 0.000 0.508 18 G N 0.923 109.592 108.800 -0.219 0.000 2.664 18 G HA2 0.291 4.267 3.960 0.027 0.000 0.242 18 G HA3 0.291 4.267 3.960 0.027 0.000 0.242 18 G C -2.287 172.602 174.900 -0.018 0.000 1.225 18 G CA -0.839 43.970 45.100 -0.485 0.000 0.849 18 G HN 0.398 nan 8.290 nan 0.000 0.581 19 P HA 0.175 nan 4.420 nan 0.000 0.265 19 P C -0.062 177.408 177.300 0.283 0.000 1.193 19 P CA 0.299 63.501 63.100 0.169 0.000 0.765 19 P CB 0.613 32.419 31.700 0.177 0.000 0.823 20 K N 1.158 121.689 120.400 0.218 0.000 2.644 20 K HA 0.169 4.505 4.320 0.027 0.000 0.198 20 K C -0.143 176.535 176.600 0.131 0.000 1.113 20 K CA -0.314 56.085 56.287 0.187 0.000 1.073 20 K CB 1.030 33.625 32.500 0.159 0.000 0.811 20 K HN 0.209 nan 8.250 nan 0.000 0.508 21 V N 2.073 122.071 119.914 0.139 0.000 2.673 21 V HA 0.039 4.175 4.120 0.027 0.000 0.303 21 V C 0.269 176.427 176.094 0.107 0.000 1.046 21 V CA 0.096 62.468 62.300 0.119 0.000 1.126 21 V CB 0.778 32.692 31.823 0.152 0.000 0.934 21 V HN 0.213 nan 8.190 nan 0.000 0.487 22 K N 3.901 124.339 120.400 0.064 0.000 2.180 22 K HA 0.207 4.543 4.320 0.027 0.000 0.251 22 K C -0.166 176.481 176.600 0.077 0.000 1.014 22 K CA -0.410 55.903 56.287 0.042 0.000 0.913 22 K CB 0.829 33.320 32.500 -0.015 0.000 1.008 22 K HN 0.864 nan 8.250 nan 0.000 0.490 23 Q N 1.524 121.374 119.800 0.083 0.000 2.230 23 Q HA 0.201 4.557 4.340 0.027 0.000 0.248 23 Q C -1.567 174.542 176.000 0.182 0.000 0.915 23 Q CA -0.297 55.600 55.803 0.157 0.000 0.900 23 Q CB 0.602 29.403 28.738 0.105 0.000 1.229 23 Q HN 0.361 nan 8.270 nan 0.000 0.439 24 W N 3.981 125.298 121.300 0.029 0.000 2.237 24 W HA 0.400 5.076 4.660 0.027 0.000 0.335 24 W C -1.785 174.777 176.519 0.070 0.000 1.230 24 W CA -1.795 55.608 57.345 0.096 0.000 1.253 24 W CB -0.021 29.581 29.460 0.236 0.000 1.129 24 W HN 0.542 nan 8.180 nan 0.000 0.590 25 P HA 0.317 nan 4.420 nan 0.000 0.279 25 P C -0.988 176.434 177.300 0.203 0.000 1.239 25 P CA 0.060 63.271 63.100 0.184 0.000 0.789 25 P CB 1.192 32.970 31.700 0.131 0.000 0.933 26 L N 1.286 122.590 121.223 0.134 0.000 2.333 26 L HA 0.441 4.797 4.340 0.027 0.000 0.263 26 L C 0.679 177.589 176.870 0.067 0.000 1.014 26 L CA -0.831 54.078 54.840 0.113 0.000 0.820 26 L CB 2.049 44.159 42.059 0.085 0.000 1.352 26 L HN 0.248 nan 8.230 nan 0.000 0.421 27 T N -0.346 114.246 114.554 0.062 0.000 2.898 27 T HA -0.012 4.354 4.350 0.027 0.000 0.301 27 T C 1.101 175.787 174.700 -0.023 0.000 1.049 27 T CA -0.221 61.902 62.100 0.038 0.000 1.095 27 T CB 1.342 70.253 68.868 0.072 0.000 0.976 27 T HN 0.746 nan 8.240 nan 0.000 0.539 28 E N 1.349 121.535 120.200 -0.022 0.000 2.136 28 E HA -0.288 4.078 4.350 0.027 0.000 0.202 28 E C 1.761 178.287 176.600 -0.124 0.000 1.019 28 E CA 1.494 57.862 56.400 -0.053 0.000 0.819 28 E CB 0.105 29.788 29.700 -0.029 0.000 0.739 28 E HN 0.570 nan 8.360 nan 0.000 0.458 29 E N 0.589 120.703 120.200 -0.143 0.000 2.023 29 E HA -0.206 4.160 4.350 0.027 0.000 0.196 29 E C 2.064 178.248 176.600 -0.694 0.000 1.003 29 E CA 1.678 57.897 56.400 -0.302 0.000 0.809 29 E CB -0.154 29.474 29.700 -0.119 0.000 0.755 29 E HN 0.430 nan 8.360 nan 0.000 0.449 30 K N 0.292 120.253 120.400 -0.731 0.000 2.209 30 K HA -0.087 4.249 4.320 0.027 0.000 0.204 30 K C 2.330 178.680 176.600 -0.418 0.000 1.048 30 K CA 1.052 56.831 56.287 -0.847 0.000 0.940 30 K CB -0.258 32.079 32.500 -0.272 0.000 0.729 30 K HN 0.179 nan 8.250 nan 0.000 0.451 31 I N 1.851 122.267 120.570 -0.257 0.000 2.202 31 I HA -0.230 3.956 4.170 0.027 0.000 0.242 31 I C 2.265 178.287 176.117 -0.157 0.000 1.091 31 I CA 1.279 62.494 61.300 -0.140 0.000 1.368 31 I CB -0.273 37.681 38.000 -0.078 0.000 1.058 31 I HN 0.134 nan 8.210 nan 0.000 0.410 32 K N 1.225 121.503 120.400 -0.203 0.000 2.020 32 K HA -0.237 4.099 4.320 0.027 0.000 0.212 32 K C 2.293 178.783 176.600 -0.183 0.000 1.050 32 K CA 1.884 58.069 56.287 -0.170 0.000 0.929 32 K CB -0.461 31.926 32.500 -0.188 0.000 0.714 32 K HN 0.331 nan 8.250 nan 0.000 0.443 33 A N 1.648 124.275 122.820 -0.322 0.000 1.859 33 A HA -0.196 4.140 4.320 0.027 0.000 0.217 33 A C 2.218 179.736 177.584 -0.111 0.000 1.198 33 A CA 1.555 53.441 52.037 -0.252 0.000 0.629 33 A CB -0.919 17.808 19.000 -0.454 0.000 0.830 33 A HN 0.218 nan 8.150 nan 0.000 0.446 34 L N -0.428 120.729 121.223 -0.111 0.000 2.081 34 L HA -0.223 4.133 4.340 0.027 0.000 0.212 34 L C 2.570 179.439 176.870 -0.001 0.000 1.080 34 L CA 1.392 56.210 54.840 -0.035 0.000 0.754 34 L CB -0.551 41.495 42.059 -0.022 0.000 0.893 34 L HN 0.308 nan 8.230 nan 0.000 0.433 35 V N -0.416 119.497 119.914 -0.003 0.000 2.270 35 V HA -0.264 3.872 4.120 0.027 0.000 0.245 35 V C 2.308 178.413 176.094 0.018 0.000 1.043 35 V CA 1.799 64.122 62.300 0.038 0.000 1.014 35 V CB -0.524 31.311 31.823 0.020 0.000 0.645 35 V HN 0.449 nan 8.190 nan 0.000 0.447 36 E N 0.243 120.436 120.200 -0.010 0.000 2.021 36 E HA -0.246 4.120 4.350 0.027 0.000 0.200 36 E C 2.161 178.757 176.600 -0.007 0.000 1.015 36 E CA 2.029 58.425 56.400 -0.006 0.000 0.824 36 E CB -0.333 29.360 29.700 -0.012 0.000 0.762 36 E HN 0.548 nan 8.360 nan 0.000 0.454 37 I N 0.839 121.404 120.570 -0.009 0.000 2.163 37 I HA -0.339 3.847 4.170 0.027 0.000 0.243 37 I C 2.625 178.704 176.117 -0.063 0.000 1.085 37 I CA 0.834 62.128 61.300 -0.011 0.000 1.347 37 I CB -0.434 37.573 38.000 0.011 0.000 1.044 37 I HN 0.262 nan 8.210 nan 0.000 0.408 38 C N 0.423 119.660 119.300 -0.105 0.000 2.425 38 C HA -0.140 4.336 4.460 0.027 0.000 0.277 38 C C 3.034 177.836 174.990 -0.314 0.000 1.280 38 C CA 1.579 60.421 59.018 -0.294 0.000 1.744 38 C CB -1.148 26.384 27.740 -0.348 0.000 1.989 38 C HN 0.534 nan 8.230 nan 0.000 0.491 39 T N 0.258 114.757 114.554 -0.091 0.000 2.904 39 T HA -0.145 4.221 4.350 0.027 0.000 0.267 39 T C 1.626 176.309 174.700 -0.028 0.000 1.059 39 T CA 1.625 63.723 62.100 -0.003 0.000 1.137 39 T CB -0.210 68.686 68.868 0.048 0.000 0.879 39 T HN 0.645 nan 8.240 nan 0.000 0.467 40 E N 2.457 122.636 120.200 -0.035 0.000 2.007 40 E HA -0.164 4.202 4.350 0.027 0.000 0.194 40 E C 2.175 178.758 176.600 -0.029 0.000 0.999 40 E CA 1.526 57.917 56.400 -0.016 0.000 0.811 40 E CB -0.446 29.253 29.700 -0.001 0.000 0.762 40 E HN 0.651 nan 8.360 nan 0.000 0.450 41 M N -0.402 119.162 119.600 -0.060 0.000 2.460 41 M HA 0.004 4.500 4.480 0.027 0.000 0.263 41 M C 2.098 178.335 176.300 -0.105 0.000 1.071 41 M CA 1.865 57.123 55.300 -0.071 0.000 1.096 41 M CB -0.298 32.245 32.600 -0.096 0.000 1.408 41 M HN 0.136 nan 8.290 nan 0.000 0.463 42 E N 2.593 122.720 120.200 -0.122 0.000 2.047 42 E HA -0.223 4.143 4.350 0.027 0.000 0.191 42 E C 2.092 178.682 176.600 -0.017 0.000 0.987 42 E CA 1.645 58.002 56.400 -0.071 0.000 0.799 42 E CB -0.084 29.620 29.700 0.007 0.000 0.752 42 E HN 0.777 nan 8.360 nan 0.000 0.449 43 K N 0.519 120.915 120.400 -0.006 0.000 2.147 43 K HA -0.173 4.163 4.320 0.027 0.000 0.205 43 K C 1.477 178.081 176.600 0.007 0.000 1.049 43 K CA 1.736 58.026 56.287 0.006 0.000 0.936 43 K CB -0.170 32.336 32.500 0.010 0.000 0.722 43 K HN 0.134 nan 8.250 nan 0.000 0.446 44 E N 0.161 120.364 120.200 0.004 0.000 2.516 44 E HA -0.007 4.359 4.350 0.027 0.000 0.199 44 E C 0.713 177.322 176.600 0.015 0.000 1.069 44 E CA 0.361 56.771 56.400 0.017 0.000 0.876 44 E CB 0.006 29.725 29.700 0.032 0.000 0.843 44 E HN 0.696 nan 8.360 nan 0.000 0.530 45 G N 1.694 110.494 108.800 -0.000 0.000 2.148 45 G HA2 -0.364 3.612 3.960 0.027 0.000 0.254 45 G HA3 -0.364 3.612 3.960 0.027 0.000 0.254 45 G C 0.861 175.753 174.900 -0.014 0.000 0.981 45 G CA 0.813 45.913 45.100 -0.000 0.000 0.670 45 G HN 0.268 nan 8.290 nan 0.000 0.528 46 K N -0.346 120.028 120.400 -0.044 0.000 2.076 46 K HA 0.290 4.626 4.320 0.027 0.000 0.204 46 K C 1.544 178.054 176.600 -0.151 0.000 1.051 46 K CA 1.455 57.686 56.287 -0.094 0.000 0.949 46 K CB 0.068 32.481 32.500 -0.145 0.000 0.726 46 K HN 0.811 nan 8.250 nan 0.000 0.443 47 I N -3.320 117.137 120.570 -0.187 0.000 3.002 47 I HA 0.466 4.652 4.170 0.027 0.000 0.310 47 I C -0.995 175.085 176.117 -0.063 0.000 1.087 47 I CA -0.943 60.230 61.300 -0.210 0.000 1.017 47 I CB 2.587 40.344 38.000 -0.405 0.000 1.226 47 I HN -0.291 nan 8.210 nan 0.000 0.443 48 S N 1.539 117.242 115.700 0.006 0.000 2.540 48 S HA 0.441 4.927 4.470 0.027 0.000 0.275 48 S C -0.896 173.737 174.600 0.056 0.000 1.123 48 S CA -0.968 57.267 58.200 0.059 0.000 0.907 48 S CB 1.978 65.177 63.200 -0.001 0.000 1.081 48 S HN 0.533 nan 8.310 nan 0.000 0.476 49 K N 1.970 122.357 120.400 -0.022 0.000 2.355 49 K HA 0.438 4.774 4.320 0.027 0.000 0.270 49 K C -0.078 176.405 176.600 -0.194 0.000 1.003 49 K CA -0.005 56.115 56.287 -0.278 0.000 0.957 49 K CB 0.240 32.540 32.500 -0.333 0.000 0.939 49 K HN 0.617 nan 8.250 nan 0.000 0.482 50 I N -2.378 118.054 120.570 -0.231 0.000 2.934 50 I HA 0.553 4.739 4.170 0.027 0.000 0.306 50 I C 0.183 176.208 176.117 -0.153 0.000 1.110 50 I CA -1.212 59.992 61.300 -0.160 0.000 1.019 50 I CB 1.968 39.884 38.000 -0.140 0.000 1.227 50 I HN 0.547 nan 8.210 nan 0.000 0.434 51 G N 1.805 110.534 108.800 -0.118 0.000 2.547 51 G HA2 0.472 4.448 3.960 0.027 0.000 0.291 51 G HA3 0.472 4.448 3.960 0.027 0.000 0.291 51 G C -1.605 173.233 174.900 -0.103 0.000 1.211 51 G CA -1.318 43.719 45.100 -0.106 0.000 0.950 51 G HN 0.638 nan 8.290 nan 0.000 0.504 52 P HA -0.079 nan 4.420 nan 0.000 0.231 52 P C 1.080 178.323 177.300 -0.095 0.000 1.158 52 P CA 0.784 63.831 63.100 -0.088 0.000 0.763 52 P CB 0.226 31.881 31.700 -0.074 0.000 0.805 53 E N -0.556 119.587 120.200 -0.095 0.000 2.516 53 E HA -0.078 4.288 4.350 0.027 0.000 0.199 53 E C 0.187 176.703 176.600 -0.140 0.000 1.069 53 E CA 0.229 56.567 56.400 -0.102 0.000 0.876 53 E CB -0.684 28.966 29.700 -0.084 0.000 0.843 53 E HN 0.149 nan 8.360 nan 0.000 0.530 54 N N 1.961 120.571 118.700 -0.150 0.000 2.511 54 N HA 0.134 4.890 4.740 0.027 0.000 0.249 54 N C -1.848 173.517 175.510 -0.241 0.000 0.971 54 N CA -1.984 50.944 53.050 -0.203 0.000 0.938 54 N CB 1.769 40.188 38.487 -0.115 0.000 1.131 54 N HN -0.136 nan 8.380 nan 0.000 0.505 55 P HA 0.036 nan 4.420 nan 0.000 0.245 55 P C -0.300 176.859 177.300 -0.236 0.000 1.206 55 P CA 0.321 63.225 63.100 -0.328 0.000 0.781 55 P CB 0.168 31.643 31.700 -0.375 0.000 0.994 56 Y N 1.315 121.630 120.300 0.024 0.000 2.326 56 Y HA 0.428 4.994 4.550 0.027 0.000 0.333 56 Y C 1.056 176.996 175.900 0.067 0.000 1.240 56 Y CA -0.450 57.688 58.100 0.063 0.000 1.365 56 Y CB 0.036 38.547 38.460 0.086 0.000 1.289 56 Y HN -0.048 nan 8.280 nan 0.000 0.548 57 N N -0.882 117.986 118.700 0.279 0.000 2.636 57 N HA 0.523 5.279 4.740 0.027 0.000 0.261 57 N C -1.968 173.673 175.510 0.220 0.000 1.195 57 N CA -0.478 52.699 53.050 0.212 0.000 0.902 57 N CB 1.606 40.178 38.487 0.142 0.000 1.627 57 N HN 0.561 nan 8.380 nan 0.000 0.491 58 T N 2.342 117.029 114.554 0.222 0.000 2.916 58 T HA 0.519 4.885 4.350 0.027 0.000 0.298 58 T C -2.947 171.787 174.700 0.057 0.000 1.031 58 T CA -0.919 61.277 62.100 0.159 0.000 0.993 58 T CB 2.214 71.188 68.868 0.177 0.000 1.045 58 T HN 0.362 nan 8.240 nan 0.000 0.454 59 P HA 0.301 nan 4.420 nan 0.000 0.276 59 P C -0.682 176.200 177.300 -0.697 0.000 1.253 59 P CA -0.252 62.696 63.100 -0.253 0.000 0.766 59 P CB 0.599 32.276 31.700 -0.038 0.000 0.845 60 V N 5.203 124.693 119.914 -0.706 0.000 2.716 60 V HA 0.497 4.633 4.120 0.027 0.000 0.304 60 V C 0.222 175.749 176.094 -0.945 0.000 1.053 60 V CA -0.188 61.685 62.300 -0.712 0.000 0.984 60 V CB 0.656 32.182 31.823 -0.496 0.000 1.021 60 V HN 0.385 nan 8.190 nan 0.000 0.467 61 F N 0.518 120.386 119.950 -0.136 0.000 2.650 61 F HA 0.869 5.413 4.527 0.027 0.000 0.320 61 F C 0.204 175.993 175.800 -0.019 0.000 1.091 61 F CA -0.790 57.153 58.000 -0.095 0.000 0.962 61 F CB 1.930 40.831 39.000 -0.165 0.000 1.363 61 F HN 0.612 nan 8.300 nan 0.000 0.482 62 A N 1.286 124.279 122.820 0.289 0.000 2.435 62 A HA 0.918 5.254 4.320 0.027 0.000 0.304 62 A C -1.930 175.870 177.584 0.360 0.000 1.064 62 A CA -0.713 51.532 52.037 0.348 0.000 0.727 62 A CB 1.802 21.048 19.000 0.410 0.000 1.284 62 A HN 0.767 nan 8.150 nan 0.000 0.415 63 I N 0.165 120.875 120.570 0.234 0.000 2.752 63 I HA 0.294 4.480 4.170 0.027 0.000 0.290 63 I C -0.969 174.995 176.117 -0.255 0.000 1.507 63 I CA -0.343 60.895 61.300 -0.103 0.000 1.038 63 I CB 1.840 39.789 38.000 -0.084 0.000 1.390 63 I HN 0.696 nan 8.210 nan 0.000 0.435 64 K N 5.460 125.505 120.400 -0.591 0.000 2.436 64 K HA 0.171 4.507 4.320 0.027 0.000 0.275 64 K C 0.021 176.474 176.600 -0.244 0.000 0.999 64 K CA -0.335 55.652 56.287 -0.501 0.000 0.980 64 K CB 0.628 32.753 32.500 -0.625 0.000 0.919 64 K HN 0.511 nan 8.250 nan 0.000 0.484 65 K N 1.585 121.892 120.400 -0.156 0.000 2.143 65 K HA -0.021 4.315 4.320 0.027 0.000 0.239 65 K C 0.210 176.755 176.600 -0.092 0.000 1.048 65 K CA -0.027 56.204 56.287 -0.095 0.000 0.867 65 K CB 0.408 32.876 32.500 -0.053 0.000 1.088 65 K HN 0.336 nan 8.250 nan 0.000 0.510 66 K N 2.396 122.756 120.400 -0.067 0.000 2.167 66 K HA -0.070 4.266 4.320 0.027 0.000 0.275 66 K C -1.150 175.422 176.600 -0.047 0.000 1.103 66 K CA 0.289 56.542 56.287 -0.056 0.000 0.963 66 K CB -0.348 32.124 32.500 -0.046 0.000 1.243 66 K HN 0.520 nan 8.250 nan 0.000 0.407 67 D N 2.583 122.952 120.400 -0.052 0.000 2.828 67 D HA -0.157 4.499 4.640 0.027 0.000 0.241 67 D C 0.208 176.487 176.300 -0.035 0.000 1.142 67 D CA 1.400 55.375 54.000 -0.041 0.000 0.755 67 D CB -1.219 39.564 40.800 -0.028 0.000 1.014 67 D HN 0.698 nan 8.370 nan 0.000 0.420 68 S N -3.148 112.525 115.700 -0.045 0.000 2.699 68 S HA 0.058 4.544 4.470 0.027 0.000 0.277 68 S C 0.955 175.534 174.600 -0.035 0.000 1.062 68 S CA 0.833 59.015 58.200 -0.031 0.000 1.116 68 S CB 0.904 64.089 63.200 -0.025 0.000 0.977 68 S HN 0.287 nan 8.310 nan 0.000 0.498 69 T N 0.750 115.262 114.554 -0.070 0.000 6.157 69 T HA -0.188 4.178 4.350 0.027 0.000 0.281 69 T C -0.263 174.402 174.700 -0.058 0.000 2.039 69 T CA 1.778 63.828 62.100 -0.084 0.000 3.312 69 T CB -1.878 66.965 68.868 -0.042 0.000 1.589 69 T HN 0.886 nan 8.240 nan 0.000 1.129 70 K N -0.186 120.191 120.400 -0.039 0.000 2.203 70 K HA 0.475 4.811 4.320 0.027 0.000 0.251 70 K C -0.815 175.813 176.600 0.047 0.000 0.944 70 K CA -0.965 55.356 56.287 0.058 0.000 0.829 70 K CB 1.025 33.563 32.500 0.065 0.000 1.125 70 K HN 0.164 nan 8.250 nan 0.000 0.430 71 W N 4.557 125.858 121.300 0.002 0.000 2.266 71 W HA 0.236 4.912 4.660 0.027 0.000 0.317 71 W C 0.774 177.294 176.519 0.002 0.000 1.310 71 W CA -0.153 57.193 57.345 0.002 0.000 1.207 71 W CB 0.695 30.159 29.460 0.006 0.000 1.199 71 W HN 0.584 nan 8.180 nan 0.000 0.544 72 R N 2.220 122.848 120.500 0.214 0.000 2.944 72 R HA 0.829 5.185 4.340 0.027 0.000 0.233 72 R C -0.856 175.536 176.300 0.152 0.000 1.346 72 R CA -1.102 55.077 56.100 0.132 0.000 1.082 72 R CB 1.276 31.610 30.300 0.057 0.000 1.434 72 R HN 0.479 nan 8.270 nan 0.000 0.510 73 K N 0.081 120.539 120.400 0.097 0.000 2.444 73 K HA 0.664 5.000 4.320 0.027 0.000 0.252 73 K C -1.768 174.861 176.600 0.048 0.000 0.993 73 K CA -1.062 55.266 56.287 0.068 0.000 0.847 73 K CB 2.066 34.574 32.500 0.014 0.000 1.340 73 K HN 0.413 nan 8.250 nan 0.000 0.446 74 L N 1.222 122.457 121.223 0.019 0.000 2.565 74 L HA 0.415 4.771 4.340 0.027 0.000 0.261 74 L C -1.941 174.882 176.870 -0.080 0.000 0.932 74 L CA -0.442 54.407 54.840 0.015 0.000 0.878 74 L CB 2.453 44.548 42.059 0.060 0.000 1.333 74 L HN 0.607 nan 8.230 nan 0.000 0.409 75 V N 2.588 122.379 119.914 -0.205 0.000 2.427 75 V HA 0.392 4.528 4.120 0.027 0.000 0.286 75 V C -0.467 175.346 176.094 -0.468 0.000 1.034 75 V CA -0.577 61.420 62.300 -0.504 0.000 0.893 75 V CB 1.612 32.906 31.823 -0.883 0.000 0.982 75 V HN 0.770 nan 8.190 nan 0.000 0.452 76 D N 3.059 123.284 120.400 -0.292 0.000 2.517 76 D HA 0.270 4.926 4.640 0.027 0.000 0.220 76 D C 0.382 176.643 176.300 -0.066 0.000 1.158 76 D CA -0.226 53.747 54.000 -0.045 0.000 0.992 76 D CB 0.060 40.997 40.800 0.228 0.000 1.058 76 D HN 0.383 nan 8.370 nan 0.000 0.516 77 F N 1.795 121.841 119.950 0.160 0.000 2.795 77 F HA 0.154 4.697 4.527 0.027 0.000 0.303 77 F C 2.031 177.947 175.800 0.193 0.000 1.186 77 F CA 0.000 58.118 58.000 0.196 0.000 1.415 77 F CB -0.231 38.918 39.000 0.247 0.000 1.106 77 F HN 0.263 nan 8.300 nan 0.000 0.558 78 R N 0.256 120.926 120.500 0.283 0.000 2.122 78 R HA -0.259 4.097 4.340 0.027 0.000 0.236 78 R C 2.041 178.470 176.300 0.215 0.000 1.129 78 R CA 2.050 58.280 56.100 0.215 0.000 0.925 78 R CB -0.560 29.840 30.300 0.166 0.000 0.850 78 R HN 0.129 nan 8.270 nan 0.000 0.431 79 E N 0.684 121.011 120.200 0.212 0.000 2.070 79 E HA -0.191 4.175 4.350 0.027 0.000 0.197 79 E C 1.786 178.508 176.600 0.202 0.000 1.004 79 E CA 1.019 57.530 56.400 0.185 0.000 0.805 79 E CB -0.275 29.531 29.700 0.176 0.000 0.744 79 E HN 0.118 nan 8.360 nan 0.000 0.451 80 L N 0.980 122.374 121.223 0.286 0.000 2.017 80 L HA -0.147 4.209 4.340 0.027 0.000 0.208 80 L C 1.435 178.515 176.870 0.350 0.000 1.073 80 L CA 1.823 56.852 54.840 0.315 0.000 0.745 80 L CB -0.809 41.515 42.059 0.441 0.000 0.894 80 L HN 0.103 nan 8.230 nan 0.000 0.432 81 N N -0.036 118.874 118.700 0.350 0.000 2.289 81 N HA -0.168 4.588 4.740 0.027 0.000 0.184 81 N C 1.683 177.279 175.510 0.144 0.000 1.016 81 N CA 1.082 54.269 53.050 0.227 0.000 0.872 81 N CB -0.199 38.390 38.487 0.171 0.000 0.973 81 N HN 0.487 nan 8.380 nan 0.000 0.433 82 K N 0.428 120.913 120.400 0.141 0.000 2.155 82 K HA 0.065 4.401 4.320 0.027 0.000 0.203 82 K C 1.759 178.405 176.600 0.076 0.000 1.052 82 K CA 0.692 57.035 56.287 0.093 0.000 0.948 82 K CB 0.121 32.675 32.500 0.090 0.000 0.728 82 K HN 0.154 nan 8.250 nan 0.000 0.448 83 R N 0.154 120.710 120.500 0.093 0.000 2.223 83 R HA 0.065 4.421 4.340 0.027 0.000 0.198 83 R C 0.491 176.836 176.300 0.076 0.000 0.984 83 R CA 0.263 56.394 56.100 0.051 0.000 1.018 83 R CB 0.219 30.517 30.300 -0.002 0.000 0.945 83 R HN -0.013 nan 8.270 nan 0.000 0.479 84 T N 2.680 117.340 114.554 0.178 0.000 2.932 84 T HA -0.020 4.346 4.350 0.027 0.000 0.312 84 T C 0.252 174.968 174.700 0.027 0.000 1.071 84 T CA -0.137 62.107 62.100 0.240 0.000 1.128 84 T CB 0.871 69.985 68.868 0.410 0.000 0.984 84 T HN 0.250 nan 8.240 nan 0.000 0.549 85 Q N 2.372 122.120 119.800 -0.086 0.000 2.524 85 Q HA 0.127 4.483 4.340 0.027 0.000 0.246 85 Q C -0.761 174.940 176.000 -0.497 0.000 1.063 85 Q CA -0.323 55.311 55.803 -0.280 0.000 0.945 85 Q CB 0.487 29.010 28.738 -0.358 0.000 1.292 85 Q HN 0.480 nan 8.270 nan 0.000 0.518 86 D N 1.097 121.269 120.400 -0.380 0.000 2.256 86 D HA 0.247 4.903 4.640 0.027 0.000 0.250 86 D C -0.757 175.280 176.300 -0.439 0.000 1.093 86 D CA 0.027 53.855 54.000 -0.287 0.000 0.882 86 D CB 0.552 41.295 40.800 -0.095 0.000 1.185 86 D HN 0.324 nan 8.370 nan 0.000 0.437 87 F N 0.679 120.615 119.950 -0.023 0.000 2.450 87 F HA 0.197 4.740 4.527 0.027 0.000 0.328 87 F C 1.554 177.425 175.800 0.119 0.000 1.068 87 F CA -1.008 57.004 58.000 0.020 0.000 1.007 87 F CB 1.064 40.028 39.000 -0.060 0.000 1.251 87 F HN 0.467 nan 8.300 nan 0.000 0.492 88 W N 0.802 122.171 121.300 0.115 0.000 2.207 88 W HA -0.100 4.576 4.660 0.027 0.000 0.321 88 W C -0.239 176.302 176.519 0.036 0.000 1.202 88 W CA 1.530 58.903 57.345 0.046 0.000 1.151 88 W CB 0.045 29.523 29.460 0.029 0.000 1.175 88 W HN 0.442 nan 8.180 nan 0.000 0.461 89 E N -1.421 118.584 120.200 -0.324 0.000 2.392 89 E HA 0.169 4.535 4.350 0.027 0.000 0.279 89 E C -1.063 175.398 176.600 -0.233 0.000 0.964 89 E CA -0.498 55.601 56.400 -0.502 0.000 0.777 89 E CB 2.540 31.705 29.700 -0.891 0.000 1.249 89 E HN -0.198 nan 8.360 nan 0.000 0.449 90 V N 2.786 122.579 119.914 -0.202 0.000 2.776 90 V HA 0.112 4.248 4.120 0.027 0.000 0.332 90 V C -0.001 176.011 176.094 -0.137 0.000 1.201 90 V CA -0.202 62.012 62.300 -0.144 0.000 1.401 90 V CB -0.289 31.456 31.823 -0.129 0.000 1.552 90 V HN 0.806 nan 8.190 nan 0.000 0.605 91 Q N 1.153 120.865 119.800 -0.146 0.000 2.439 91 Q HA -0.216 4.140 4.340 0.027 0.000 0.361 91 Q C -0.485 175.468 176.000 -0.078 0.000 1.408 91 Q CA 0.185 55.925 55.803 -0.104 0.000 1.052 91 Q CB -0.539 28.162 28.738 -0.061 0.000 1.233 91 Q HN 0.475 nan 8.270 nan 0.000 0.347 92 L N 1.961 123.117 121.223 -0.111 0.000 2.395 92 L HA 0.516 4.872 4.340 0.027 0.000 0.268 92 L C 0.890 177.744 176.870 -0.026 0.000 1.223 92 L CA 1.440 56.239 54.840 -0.068 0.000 1.093 92 L CB 0.335 42.334 42.059 -0.099 0.000 1.349 92 L HN 0.496 nan 8.230 nan 0.000 0.427 93 G N 4.097 112.914 108.800 0.027 0.000 1.834 93 G HA2 0.246 4.222 3.960 0.027 0.000 0.247 93 G HA3 0.246 4.222 3.960 0.027 0.000 0.247 93 G C -0.834 174.138 174.900 0.119 0.000 1.691 93 G CA -0.775 44.357 45.100 0.054 0.000 0.922 93 G HN 0.411 nan 8.290 nan 0.000 0.682 94 I N 0.285 120.972 120.570 0.195 0.000 2.566 94 I HA 0.764 4.950 4.170 0.027 0.000 0.303 94 I C -2.144 174.143 176.117 0.283 0.000 0.983 94 I CA -2.590 58.910 61.300 0.335 0.000 1.235 94 I CB 1.459 39.760 38.000 0.502 0.000 1.386 94 I HN 0.142 nan 8.210 nan 0.000 0.494 95 P HA 0.069 nan 4.420 nan 0.000 0.265 95 P C -0.649 176.735 177.300 0.140 0.000 1.222 95 P CA 0.237 63.420 63.100 0.139 0.000 0.767 95 P CB 0.069 31.843 31.700 0.123 0.000 0.801 96 H N 5.523 124.554 119.070 -0.065 0.000 2.764 96 H HA 0.053 4.625 4.556 0.027 0.000 0.341 96 H C -1.475 173.632 175.328 -0.367 0.000 1.072 96 H CA -1.526 54.398 56.048 -0.207 0.000 1.444 96 H CB 0.970 30.576 29.762 -0.260 0.000 1.458 96 H HN 0.263 nan 8.280 nan 0.000 0.572 97 P HA -0.225 nan 4.420 nan 0.000 0.217 97 P C 1.139 178.029 177.300 -0.684 0.000 1.158 97 P CA 2.467 64.921 63.100 -1.076 0.000 0.887 97 P CB -0.045 30.395 31.700 -2.101 0.000 0.792 98 A N -0.747 121.675 122.820 -0.663 0.000 2.076 98 A HA -0.098 4.238 4.320 0.027 0.000 0.220 98 A C 2.266 180.084 177.584 0.391 0.000 1.160 98 A CA 1.943 54.096 52.037 0.194 0.000 0.653 98 A CB -1.629 17.733 19.000 0.603 0.000 0.801 98 A HN 0.342 nan 8.150 nan 0.000 0.455 99 G N -1.165 107.646 108.800 0.019 0.000 2.939 99 G HA2 0.354 4.330 3.960 0.027 0.000 0.210 99 G HA3 0.354 4.330 3.960 0.027 0.000 0.210 99 G C 0.502 175.518 174.900 0.193 0.000 1.160 99 G CA -0.318 44.743 45.100 -0.066 0.000 0.770 99 G HN 0.398 nan 8.290 nan 0.000 0.543 100 L N 0.675 122.019 121.223 0.201 0.000 2.417 100 L HA 0.318 4.674 4.340 0.027 0.000 0.268 100 L C 0.152 177.158 176.870 0.227 0.000 1.158 100 L CA -0.324 54.593 54.840 0.129 0.000 0.819 100 L CB 1.058 43.087 42.059 -0.049 0.000 1.112 100 L HN -0.013 nan 8.230 nan 0.000 0.458 101 K N 2.315 122.770 120.400 0.091 0.000 2.143 101 K HA 0.247 4.583 4.320 0.027 0.000 0.272 101 K C -0.523 176.022 176.600 -0.092 0.000 1.001 101 K CA -0.827 55.504 56.287 0.074 0.000 0.915 101 K CB 1.097 33.636 32.500 0.064 0.000 1.047 101 K HN 0.423 nan 8.250 nan 0.000 0.458 102 K N 3.072 123.441 120.400 -0.052 0.000 2.412 102 K HA 0.118 4.454 4.320 0.027 0.000 0.284 102 K C -0.453 176.081 176.600 -0.109 0.000 1.046 102 K CA -0.119 56.089 56.287 -0.131 0.000 0.999 102 K CB 0.452 32.962 32.500 0.016 0.000 0.941 102 K HN 0.216 nan 8.250 nan 0.000 0.474 103 K N 3.267 123.575 120.400 -0.154 0.000 2.259 103 K HA 0.116 4.452 4.320 0.027 0.000 0.252 103 K C 0.274 176.821 176.600 -0.089 0.000 0.936 103 K CA -0.734 55.496 56.287 -0.095 0.000 0.810 103 K CB 2.011 34.454 32.500 -0.094 0.000 1.143 103 K HN 0.608 nan 8.250 nan 0.000 0.427 104 K N 0.639 121.000 120.400 -0.065 0.000 2.209 104 K HA -0.079 4.257 4.320 0.027 0.000 0.204 104 K C -0.114 176.411 176.600 -0.125 0.000 1.048 104 K CA 0.997 57.241 56.287 -0.071 0.000 0.940 104 K CB 0.280 32.752 32.500 -0.047 0.000 0.729 104 K HN 0.657 nan 8.250 nan 0.000 0.451 105 S N -1.067 114.519 115.700 -0.190 0.000 2.548 105 S HA 0.464 4.950 4.470 0.027 0.000 0.278 105 S C -0.933 173.486 174.600 -0.301 0.000 1.150 105 S CA -1.233 56.776 58.200 -0.320 0.000 0.907 105 S CB 2.061 64.925 63.200 -0.559 0.000 1.108 105 S HN -0.128 nan 8.310 nan 0.000 0.459 106 V N 1.561 121.406 119.914 -0.115 0.000 2.864 106 V HA 0.873 5.009 4.120 0.027 0.000 0.314 106 V C -0.340 175.895 176.094 0.235 0.000 1.073 106 V CA -0.500 61.862 62.300 0.104 0.000 0.956 106 V CB 2.321 34.274 31.823 0.216 0.000 1.023 106 V HN 1.100 nan 8.190 nan 0.000 0.435 107 T N 1.731 116.455 114.554 0.283 0.000 2.933 107 T HA 0.471 4.837 4.350 0.027 0.000 0.305 107 T C -1.217 173.523 174.700 0.068 0.000 1.092 107 T CA -0.421 61.826 62.100 0.245 0.000 1.008 107 T CB 2.007 71.022 68.868 0.246 0.000 1.102 107 T HN 0.554 nan 8.240 nan 0.000 0.469 108 V N 4.853 124.760 119.914 -0.012 0.000 2.334 108 V HA 0.469 4.605 4.120 0.027 0.000 0.281 108 V C -1.012 174.947 176.094 -0.225 0.000 1.016 108 V CA -0.906 61.189 62.300 -0.341 0.000 0.832 108 V CB 0.478 31.980 31.823 -0.536 0.000 0.999 108 V HN 0.673 nan 8.190 nan 0.000 0.439 109 L N 5.661 126.731 121.223 -0.254 0.000 2.283 109 L HA 0.381 4.737 4.340 0.027 0.000 0.287 109 L C 0.234 177.018 176.870 -0.143 0.000 1.073 109 L CA 0.250 55.003 54.840 -0.146 0.000 0.822 109 L CB 0.664 42.646 42.059 -0.128 0.000 1.186 109 L HN 0.746 nan 8.230 nan 0.000 0.436 110 D N 2.862 123.218 120.400 -0.074 0.000 2.483 110 D HA 0.128 4.784 4.640 0.027 0.000 0.220 110 D C 0.386 176.690 176.300 0.008 0.000 1.173 110 D CA -0.226 53.751 54.000 -0.038 0.000 0.964 110 D CB 0.543 41.338 40.800 -0.007 0.000 1.046 110 D HN 0.278 nan 8.370 nan 0.000 0.517 111 V N 3.817 123.754 119.914 0.038 0.000 2.800 111 V HA 0.252 4.388 4.120 0.027 0.000 0.365 111 V C 1.840 178.013 176.094 0.131 0.000 1.527 111 V CA 0.149 62.513 62.300 0.107 0.000 1.623 111 V CB 0.003 31.926 31.823 0.168 0.000 1.407 111 V HN 0.630 nan 8.190 nan 0.000 0.527 112 G N 1.166 110.000 108.800 0.057 0.000 2.505 112 G HA2 -0.270 3.706 3.960 0.027 0.000 0.214 112 G HA3 -0.270 3.706 3.960 0.027 0.000 0.214 112 G C 1.123 176.018 174.900 -0.008 0.000 1.237 112 G CA 1.013 46.117 45.100 0.006 0.000 0.802 112 G HN 0.596 nan 8.290 nan 0.000 0.549 113 D N 0.559 120.954 120.400 -0.008 0.000 2.271 113 D HA -0.035 4.621 4.640 0.027 0.000 0.207 113 D C 2.578 178.925 176.300 0.079 0.000 0.983 113 D CA 1.209 55.205 54.000 -0.008 0.000 0.878 113 D CB -0.212 40.607 40.800 0.032 0.000 0.920 113 D HN 0.267 nan 8.370 nan 0.000 0.479 114 A N -0.512 122.386 122.820 0.129 0.000 2.042 114 A HA -0.266 4.070 4.320 0.027 0.000 0.222 114 A C 1.765 179.470 177.584 0.202 0.000 1.167 114 A CA 1.441 53.614 52.037 0.227 0.000 0.649 114 A CB -1.192 18.058 19.000 0.417 0.000 0.809 114 A HN 0.459 nan 8.150 nan 0.000 0.457 115 Y N -1.470 118.728 120.300 -0.171 0.000 2.151 115 Y HA -0.173 4.393 4.550 0.027 0.000 0.284 115 Y C 1.208 177.305 175.900 0.328 0.000 1.166 115 Y CA 1.368 59.406 58.100 -0.104 0.000 1.163 115 Y CB -0.317 37.953 38.460 -0.317 0.000 0.974 115 Y HN 0.348 nan 8.280 nan 0.000 0.511 116 F N -0.823 119.245 119.950 0.196 0.000 2.873 116 F HA 0.179 4.722 4.527 0.027 0.000 0.289 116 F C 1.162 177.051 175.800 0.148 0.000 1.206 116 F CA -0.370 57.735 58.000 0.174 0.000 1.401 116 F CB -0.624 38.473 39.000 0.162 0.000 0.996 116 F HN -0.076 nan 8.300 nan 0.000 0.511 117 S N -1.584 114.310 115.700 0.325 0.000 2.691 117 S HA 0.154 4.640 4.470 0.027 0.000 0.258 117 S C 0.415 175.134 174.600 0.197 0.000 1.078 117 S CA -0.062 58.277 58.200 0.232 0.000 1.000 117 S CB 0.912 64.243 63.200 0.218 0.000 0.942 117 S HN -0.092 nan 8.310 nan 0.000 0.521 118 V N 5.983 126.022 119.914 0.209 0.000 2.432 118 V HA 0.308 4.444 4.120 0.027 0.000 0.271 118 V C -2.322 173.855 176.094 0.139 0.000 1.046 118 V CA -1.996 60.400 62.300 0.160 0.000 0.945 118 V CB 0.724 32.637 31.823 0.150 0.000 0.992 118 V HN 0.201 nan 8.190 nan 0.000 0.471 119 P HA 0.128 nan 4.420 nan 0.000 0.271 119 P C -0.584 176.763 177.300 0.077 0.000 1.216 119 P CA -0.329 62.825 63.100 0.090 0.000 0.776 119 P CB 1.372 33.121 31.700 0.081 0.000 0.881 120 L N 2.566 123.826 121.223 0.062 0.000 2.379 120 L HA 0.331 4.687 4.340 0.027 0.000 0.269 120 L C 0.429 177.333 176.870 0.057 0.000 1.084 120 L CA -0.373 54.488 54.840 0.035 0.000 0.802 120 L CB 0.295 42.343 42.059 -0.018 0.000 1.175 120 L HN 0.361 nan 8.230 nan 0.000 0.448 121 D N 2.699 123.138 120.400 0.064 0.000 2.520 121 D HA -0.108 4.548 4.640 0.027 0.000 0.243 121 D C 0.805 177.181 176.300 0.127 0.000 1.160 121 D CA 0.207 54.270 54.000 0.105 0.000 0.877 121 D CB 0.894 41.776 40.800 0.136 0.000 1.150 121 D HN 0.664 nan 8.370 nan 0.000 0.494 122 E N 3.720 123.974 120.200 0.091 0.000 2.065 122 E HA -0.249 4.117 4.350 0.027 0.000 0.201 122 E C 0.962 177.599 176.600 0.062 0.000 1.016 122 E CA 1.649 58.088 56.400 0.065 0.000 0.818 122 E CB 0.030 29.758 29.700 0.046 0.000 0.749 122 E HN 0.608 nan 8.360 nan 0.000 0.453 123 D N -0.641 119.812 120.400 0.088 0.000 2.158 123 D HA -0.170 4.486 4.640 0.027 0.000 0.197 123 D C 1.680 178.016 176.300 0.060 0.000 0.995 123 D CA 1.010 55.054 54.000 0.074 0.000 0.846 123 D CB -0.439 40.438 40.800 0.127 0.000 0.941 123 D HN 0.205 nan 8.370 nan 0.000 0.456 124 F N 1.099 121.071 119.950 0.035 0.000 2.293 124 F HA 0.031 4.574 4.527 0.027 0.000 0.297 124 F C 2.028 177.793 175.800 -0.059 0.000 1.089 124 F CA 0.740 58.806 58.000 0.109 0.000 1.377 124 F CB 0.113 39.188 39.000 0.125 0.000 1.051 124 F HN -0.226 nan 8.300 nan 0.000 0.511 125 R N 0.976 121.519 120.500 0.072 0.000 2.140 125 R HA -0.286 4.070 4.340 0.027 0.000 0.250 125 R C 2.194 178.418 176.300 -0.127 0.000 1.150 125 R CA 2.332 58.432 56.100 -0.001 0.000 0.966 125 R CB -0.760 29.549 30.300 0.014 0.000 0.869 125 R HN 0.422 nan 8.270 nan 0.000 0.445 126 K N -0.211 120.022 120.400 -0.278 0.000 2.160 126 K HA -0.205 4.131 4.320 0.027 0.000 0.206 126 K C 1.426 177.864 176.600 -0.271 0.000 1.047 126 K CA 1.859 57.974 56.287 -0.287 0.000 0.930 126 K CB -0.477 31.813 32.500 -0.350 0.000 0.720 126 K HN 0.244 nan 8.250 nan 0.000 0.450 127 Y N 2.507 122.613 120.300 -0.324 0.000 2.497 127 Y HA -0.069 4.497 4.550 0.027 0.000 0.292 127 Y C 2.227 178.028 175.900 -0.166 0.000 1.137 127 Y CA 1.192 58.999 58.100 -0.489 0.000 1.285 127 Y CB -0.648 37.235 38.460 -0.962 0.000 0.991 127 Y HN 0.310 nan 8.280 nan 0.000 0.556 128 T N -2.133 112.464 114.554 0.071 0.000 3.272 128 T HA 0.453 4.819 4.350 0.027 0.000 0.250 128 T C 0.814 175.762 174.700 0.413 0.000 1.082 128 T CA -0.012 62.272 62.100 0.307 0.000 0.968 128 T CB -0.735 68.318 68.868 0.309 0.000 1.015 128 T HN 0.227 nan 8.240 nan 0.000 0.563 129 A N 1.938 124.908 122.820 0.250 0.000 2.546 129 A HA 0.511 4.847 4.320 0.027 0.000 0.243 129 A C -0.037 177.708 177.584 0.268 0.000 1.063 129 A CA -0.394 51.740 52.037 0.162 0.000 0.757 129 A CB -0.690 18.387 19.000 0.130 0.000 0.991 129 A HN 0.792 nan 8.150 nan 0.000 0.503 130 F N -0.195 119.839 119.950 0.140 0.000 2.613 130 F HA 0.807 5.350 4.527 0.027 0.000 0.310 130 F C -0.398 175.448 175.800 0.077 0.000 1.085 130 F CA -0.876 57.183 58.000 0.097 0.000 0.945 130 F CB 1.319 40.370 39.000 0.084 0.000 1.298 130 F HN 0.300 nan 8.300 nan 0.000 0.455 131 T N 3.811 118.550 114.554 0.309 0.000 2.841 131 T HA 0.543 4.909 4.350 0.027 0.000 0.283 131 T C -0.726 174.103 174.700 0.216 0.000 1.000 131 T CA -0.456 61.748 62.100 0.172 0.000 0.977 131 T CB 1.528 70.439 68.868 0.071 0.000 0.979 131 T HN 0.479 nan 8.240 nan 0.000 0.446 132 I N 6.042 126.724 120.570 0.187 0.000 2.291 132 I HA 0.280 4.466 4.170 0.027 0.000 0.290 132 I C -1.701 174.458 176.117 0.071 0.000 1.050 132 I CA -2.943 58.448 61.300 0.152 0.000 1.245 132 I CB 0.519 38.638 38.000 0.198 0.000 1.405 132 I HN 0.350 nan 8.210 nan 0.000 0.478 133 P HA 0.129 nan 4.420 nan 0.000 0.282 133 P C -0.264 177.048 177.300 0.020 0.000 1.286 133 P CA -0.285 62.836 63.100 0.034 0.000 0.777 133 P CB 1.258 32.985 31.700 0.045 0.000 1.184 134 S N -1.609 114.098 115.700 0.012 0.000 2.570 134 S HA 0.389 4.875 4.470 0.027 0.000 0.286 134 S C 1.355 175.959 174.600 0.007 0.000 1.099 134 S CA -0.869 57.334 58.200 0.004 0.000 0.913 134 S CB 0.468 63.666 63.200 -0.004 0.000 1.085 134 S HN 0.294 nan 8.310 nan 0.000 0.480 135 I N 3.239 123.811 120.570 0.003 0.000 2.099 135 I HA -0.254 3.932 4.170 0.027 0.000 0.239 135 I C 1.892 178.012 176.117 0.005 0.000 1.066 135 I CA 1.956 63.259 61.300 0.006 0.000 1.324 135 I CB -0.585 37.415 38.000 0.000 0.000 1.037 135 I HN 0.843 nan 8.210 nan 0.000 0.401 136 N N 1.543 120.244 118.700 0.001 0.000 2.661 136 N HA -0.278 4.478 4.740 0.027 0.000 0.196 136 N C 0.619 176.129 175.510 -0.001 0.000 1.129 136 N CA 0.851 53.901 53.050 -0.001 0.000 0.938 136 N CB -0.795 37.690 38.487 -0.005 0.000 0.966 136 N HN 0.459 nan 8.380 nan 0.000 0.450 137 N N 0.141 118.842 118.700 0.002 0.000 2.716 137 N HA -0.284 4.472 4.740 0.027 0.000 0.250 137 N C 0.227 175.735 175.510 -0.003 0.000 1.033 137 N CA 0.477 53.529 53.050 0.002 0.000 0.727 137 N CB -0.400 38.089 38.487 0.003 0.000 0.950 137 N HN 0.364 nan 8.380 nan 0.000 0.541 138 E N -0.759 119.437 120.200 -0.005 0.000 4.494 138 E HA -0.220 4.146 4.350 0.027 0.000 0.581 138 E C 0.800 177.392 176.600 -0.014 0.000 1.234 138 E CA 2.019 58.413 56.400 -0.010 0.000 3.973 138 E CB -0.289 29.403 29.700 -0.013 0.000 0.894 138 E HN 0.551 nan 8.360 nan 0.000 0.290 139 T N -0.055 114.488 114.554 -0.018 0.000 3.426 139 T HA 0.243 4.609 4.350 0.027 0.000 0.195 139 T C -1.706 172.978 174.700 -0.026 0.000 0.963 139 T CA 0.113 62.200 62.100 -0.022 0.000 1.154 139 T CB -0.498 68.355 68.868 -0.025 0.000 1.377 139 T HN 0.385 nan 8.240 nan 0.000 0.342 140 P HA 0.757 nan 4.420 nan 0.000 0.342 140 P C -0.658 176.618 177.300 -0.040 0.000 1.231 140 P CA -0.414 62.661 63.100 -0.040 0.000 0.801 140 P CB 1.166 32.833 31.700 -0.054 0.000 1.419 141 G N -0.984 107.786 108.800 -0.051 0.000 3.022 141 G HA2 0.552 4.528 3.960 0.027 0.000 0.284 141 G HA3 0.552 4.528 3.960 0.027 0.000 0.284 141 G C -1.016 173.828 174.900 -0.094 0.000 1.375 141 G CA -0.674 44.397 45.100 -0.048 0.000 0.902 141 G HN 0.355 nan 8.290 nan 0.000 0.538 142 I N 1.580 122.096 120.570 -0.090 0.000 2.278 142 I HA 0.295 4.481 4.170 0.027 0.000 0.296 142 I C 0.558 176.492 176.117 -0.305 0.000 1.121 142 I CA -0.199 60.978 61.300 -0.204 0.000 1.267 142 I CB -0.356 37.597 38.000 -0.078 0.000 1.447 142 I HN 0.242 nan 8.210 nan 0.000 0.509 143 R N 5.354 125.609 120.500 -0.408 0.000 2.410 143 R HA 0.599 4.955 4.340 0.027 0.000 0.288 143 R C -1.126 174.755 176.300 -0.698 0.000 1.051 143 R CA -0.299 55.555 56.100 -0.411 0.000 1.021 143 R CB 1.215 31.354 30.300 -0.268 0.000 1.032 143 R HN 0.335 nan 8.270 nan 0.000 0.481 144 Y N -0.338 119.589 120.300 -0.621 0.000 2.715 144 Y HA 0.270 4.836 4.550 0.027 0.000 0.331 144 Y C -0.541 174.910 175.900 -0.748 0.000 1.197 144 Y CA -0.925 56.744 58.100 -0.718 0.000 1.079 144 Y CB 2.100 40.000 38.460 -0.934 0.000 1.298 144 Y HN 0.520 nan 8.280 nan 0.000 0.477 145 Q N -0.587 119.053 119.800 -0.267 0.000 2.426 145 Q HA 0.483 4.839 4.340 0.027 0.000 0.278 145 Q C -2.348 173.654 176.000 0.004 0.000 1.007 145 Q CA -1.037 54.721 55.803 -0.075 0.000 0.850 145 Q CB 1.707 30.426 28.738 -0.033 0.000 1.427 145 Q HN 0.583 nan 8.270 nan 0.000 0.391 146 Y N 1.707 122.057 120.300 0.084 0.000 2.309 146 Y HA 0.252 4.818 4.550 0.027 0.000 0.327 146 Y C 0.857 176.746 175.900 -0.018 0.000 1.172 146 Y CA 0.186 58.304 58.100 0.030 0.000 1.280 146 Y CB 0.957 39.431 38.460 0.023 0.000 1.234 146 Y HN 0.727 nan 8.280 nan 0.000 0.512 147 N N 0.914 119.681 118.700 0.112 0.000 2.294 147 N HA 0.052 4.808 4.740 0.027 0.000 0.186 147 N C -0.388 175.167 175.510 0.075 0.000 1.107 147 N CA 0.328 53.417 53.050 0.066 0.000 0.884 147 N CB 1.000 39.505 38.487 0.030 0.000 1.030 147 N HN 0.360 nan 8.380 nan 0.000 0.482 148 V N 1.153 121.124 119.914 0.095 0.000 3.103 148 V HA 0.399 4.535 4.120 0.027 0.000 0.318 148 V C -0.491 175.654 176.094 0.084 0.000 1.114 148 V CA -0.989 61.366 62.300 0.092 0.000 1.020 148 V CB 2.004 33.875 31.823 0.080 0.000 1.085 148 V HN -0.036 nan 8.190 nan 0.000 0.446 149 L N 4.854 126.158 121.223 0.135 0.000 2.615 149 L HA 0.182 4.538 4.340 0.027 0.000 0.271 149 L C -2.192 174.781 176.870 0.171 0.000 1.183 149 L CA -1.025 53.910 54.840 0.158 0.000 0.933 149 L CB 0.171 42.383 42.059 0.255 0.000 1.199 149 L HN 0.508 nan 8.230 nan 0.000 0.487 150 P HA 0.070 nan 4.420 nan 0.000 0.276 150 P C -0.707 176.693 177.300 0.166 0.000 1.230 150 P CA -0.506 62.373 63.100 -0.368 0.000 0.776 150 P CB 0.628 31.725 31.700 -1.005 0.000 0.888 151 Q N 2.161 122.219 119.800 0.429 0.000 2.286 151 Q HA 0.384 4.740 4.340 0.027 0.000 0.267 151 Q C 1.325 177.482 176.000 0.262 0.000 1.028 151 Q CA 1.706 57.656 55.803 0.245 0.000 0.901 151 Q CB -0.658 28.165 28.738 0.141 0.000 1.183 151 Q HN 0.763 nan 8.270 nan 0.000 0.392 152 G N 2.898 111.791 108.800 0.156 0.000 2.194 152 G HA2 -0.269 3.707 3.960 0.027 0.000 0.236 152 G HA3 -0.269 3.707 3.960 0.027 0.000 0.236 152 G C -0.466 174.580 174.900 0.244 0.000 0.987 152 G CA -0.127 45.099 45.100 0.210 0.000 0.635 152 G HN 0.636 nan 8.290 nan 0.000 0.520 153 W N 2.598 123.847 121.300 -0.085 0.000 2.238 153 W HA 0.572 5.249 4.660 0.027 0.000 0.321 153 W C 1.433 177.898 176.519 -0.090 0.000 1.293 153 W CA -0.063 57.144 57.345 -0.230 0.000 1.204 153 W CB 0.792 29.937 29.460 -0.524 0.000 1.167 153 W HN 0.177 nan 8.180 nan 0.000 0.553 154 K N 3.092 123.062 120.400 -0.717 0.000 2.071 154 K HA -0.243 4.093 4.320 0.027 0.000 0.217 154 K C 1.871 177.916 176.600 -0.924 0.000 1.054 154 K CA 2.429 58.314 56.287 -0.671 0.000 0.937 154 K CB -0.758 31.456 32.500 -0.477 0.000 0.719 154 K HN 0.779 nan 8.250 nan 0.000 0.454 155 G N -0.512 107.146 108.800 -1.903 0.000 2.464 155 G HA2 -0.138 3.838 3.960 0.027 0.000 0.217 155 G HA3 -0.138 3.838 3.960 0.027 0.000 0.217 155 G C 1.364 175.686 174.900 -0.964 0.000 1.138 155 G CA 0.663 44.641 45.100 -1.871 0.000 0.793 155 G HN 0.342 nan 8.290 nan 0.000 0.539 156 S N 2.036 117.485 115.700 -0.419 0.000 2.380 156 S HA -0.150 4.336 4.470 0.027 0.000 0.229 156 S C 0.194 174.778 174.600 -0.025 0.000 1.050 156 S CA 1.856 60.083 58.200 0.044 0.000 1.100 156 S CB -1.147 62.225 63.200 0.287 0.000 0.984 156 S HN 0.312 nan 8.310 nan 0.000 0.434 157 P HA -0.098 nan 4.420 nan 0.000 0.215 157 P C 1.543 178.799 177.300 -0.073 0.000 1.157 157 P CA 1.673 64.796 63.100 0.038 0.000 0.874 157 P CB -0.149 31.541 31.700 -0.016 0.000 0.790 158 A N -0.800 121.875 122.820 -0.241 0.000 1.855 158 A HA -0.173 4.163 4.320 0.027 0.000 0.215 158 A C 2.238 179.688 177.584 -0.225 0.000 1.191 158 A CA 1.490 53.371 52.037 -0.261 0.000 0.613 158 A CB -1.616 17.130 19.000 -0.423 0.000 0.829 158 A HN 0.069 nan 8.150 nan 0.000 0.442 159 I N -1.649 118.749 120.570 -0.288 0.000 2.127 159 I HA -0.281 3.905 4.170 0.027 0.000 0.241 159 I C 2.393 178.441 176.117 -0.115 0.000 1.075 159 I CA 1.973 63.171 61.300 -0.169 0.000 1.334 159 I CB -0.475 37.457 38.000 -0.112 0.000 1.040 159 I HN 0.454 nan 8.210 nan 0.000 0.405 160 F N 1.758 121.554 119.950 -0.257 0.000 2.115 160 F HA -0.352 4.191 4.527 0.026 0.000 0.300 160 F C 2.570 178.213 175.800 -0.261 0.000 1.092 160 F CA 2.219 60.022 58.000 -0.329 0.000 1.245 160 F CB -0.393 38.214 39.000 -0.656 0.000 0.995 160 F HN 0.043 nan 8.300 nan 0.000 0.481 161 Q N 0.664 120.304 119.800 -0.266 0.000 2.020 161 Q HA -0.172 4.184 4.340 0.027 0.000 0.202 161 Q C 2.548 178.368 176.000 -0.299 0.000 0.982 161 Q CA 2.731 58.355 55.803 -0.298 0.000 0.838 161 Q CB -0.594 28.061 28.738 -0.138 0.000 0.899 161 Q HN 0.541 nan 8.270 nan 0.000 0.423 162 S N -1.013 114.563 115.700 -0.208 0.000 2.368 162 S HA -0.147 4.339 4.470 0.027 0.000 0.225 162 S C 2.169 176.644 174.600 -0.208 0.000 1.030 162 S CA 1.307 59.408 58.200 -0.165 0.000 0.999 162 S CB -0.700 62.441 63.200 -0.098 0.000 0.844 162 S HN 0.319 nan 8.310 nan 0.000 0.459 163 S N 1.971 117.527 115.700 -0.240 0.000 2.359 163 S HA -0.108 4.378 4.470 0.027 0.000 0.224 163 S C 1.873 176.271 174.600 -0.338 0.000 1.035 163 S CA 1.734 59.787 58.200 -0.244 0.000 1.018 163 S CB -0.570 62.501 63.200 -0.215 0.000 0.876 163 S HN 0.505 nan 8.310 nan 0.000 0.448 164 M N 2.155 121.465 119.600 -0.483 0.000 2.117 164 M HA -0.096 4.400 4.480 0.027 0.000 0.262 164 M C 1.974 178.061 176.300 -0.354 0.000 1.065 164 M CA 1.706 56.709 55.300 -0.495 0.000 1.114 164 M CB -1.536 30.660 32.600 -0.674 0.000 1.361 164 M HN 0.242 nan 8.290 nan 0.000 0.408 165 T N 0.511 114.890 114.554 -0.292 0.000 2.665 165 T HA -0.205 4.161 4.350 0.027 0.000 0.268 165 T C 1.809 176.384 174.700 -0.207 0.000 1.035 165 T CA 2.057 64.030 62.100 -0.212 0.000 1.151 165 T CB -0.277 68.495 68.868 -0.159 0.000 0.862 165 T HN 0.431 nan 8.240 nan 0.000 0.438 166 K N 0.611 120.879 120.400 -0.220 0.000 2.026 166 K HA 0.043 4.379 4.320 0.027 0.000 0.208 166 K C 2.252 178.661 176.600 -0.317 0.000 1.048 166 K CA 1.212 57.366 56.287 -0.222 0.000 0.929 166 K CB -0.361 32.018 32.500 -0.202 0.000 0.713 166 K HN 0.312 nan 8.250 nan 0.000 0.439 167 I N 0.925 121.235 120.570 -0.433 0.000 2.286 167 I HA -0.272 3.914 4.170 0.027 0.000 0.248 167 I C 1.916 177.750 176.117 -0.470 0.000 1.115 167 I CA 1.251 62.184 61.300 -0.612 0.000 1.392 167 I CB -0.187 37.439 38.000 -0.624 0.000 1.065 167 I HN 0.135 nan 8.210 nan 0.000 0.418 168 L N -0.010 120.990 121.223 -0.373 0.000 2.492 168 L HA -0.076 4.280 4.340 0.027 0.000 0.223 168 L C 2.345 179.131 176.870 -0.140 0.000 1.132 168 L CA 0.250 54.904 54.840 -0.310 0.000 0.850 168 L CB -0.352 41.548 42.059 -0.265 0.000 0.966 168 L HN 0.164 nan 8.230 nan 0.000 0.454 169 E N 1.288 121.412 120.200 -0.128 0.000 2.049 169 E HA -0.212 4.154 4.350 0.027 0.000 0.198 169 E C -0.542 176.061 176.600 0.005 0.000 1.007 169 E CA 2.015 58.380 56.400 -0.058 0.000 0.809 169 E CB -0.949 28.709 29.700 -0.071 0.000 0.749 169 E HN 0.277 nan 8.360 nan 0.000 0.450 170 P HA -0.167 nan 4.420 nan 0.000 0.215 170 P C 1.534 178.915 177.300 0.136 0.000 1.157 170 P CA 1.239 64.405 63.100 0.110 0.000 0.863 170 P CB -0.325 31.492 31.700 0.196 0.000 0.787 171 F N 1.564 121.527 119.950 0.022 0.000 2.091 171 F HA -0.182 4.361 4.527 0.026 0.000 0.299 171 F C 2.588 178.376 175.800 -0.021 0.000 1.103 171 F CA 1.659 59.662 58.000 0.005 0.000 1.228 171 F CB -0.541 38.384 39.000 -0.126 0.000 0.984 171 F HN -0.280 nan 8.300 nan 0.000 0.477 172 R N 0.340 120.962 120.500 0.203 0.000 2.080 172 R HA -0.183 4.173 4.340 0.027 0.000 0.236 172 R C 2.272 178.572 176.300 -0.000 0.000 1.137 172 R CA 2.004 58.169 56.100 0.108 0.000 0.943 172 R CB -0.435 29.909 30.300 0.073 0.000 0.846 172 R HN 0.287 nan 8.270 nan 0.000 0.431 173 K N 0.839 121.236 120.400 -0.004 0.000 2.032 173 K HA -0.234 4.102 4.320 0.027 0.000 0.209 173 K C 2.140 178.706 176.600 -0.057 0.000 1.048 173 K CA 1.938 58.213 56.287 -0.021 0.000 0.927 173 K CB -0.145 32.352 32.500 -0.006 0.000 0.712 173 K HN 0.398 nan 8.250 nan 0.000 0.441 174 Q N 0.099 119.840 119.800 -0.097 0.000 2.482 174 Q HA -0.007 4.349 4.340 0.027 0.000 0.209 174 Q C 0.005 175.872 176.000 -0.221 0.000 0.961 174 Q CA 0.758 56.476 55.803 -0.142 0.000 0.945 174 Q CB 0.219 28.873 28.738 -0.141 0.000 1.012 174 Q HN 0.078 nan 8.270 nan 0.000 0.515 175 N N 1.161 119.711 118.700 -0.249 0.000 2.664 175 N HA 0.137 4.893 4.740 0.027 0.000 0.287 175 N C -2.344 173.110 175.510 -0.093 0.000 1.869 175 N CA -0.871 52.035 53.050 -0.240 0.000 0.832 175 N CB 1.528 39.716 38.487 -0.499 0.000 1.293 175 N HN 0.165 nan 8.380 nan 0.000 0.498 176 P HA -0.105 nan 4.420 nan 0.000 0.229 176 P C 0.157 177.461 177.300 0.007 0.000 1.150 176 P CA 1.022 64.115 63.100 -0.012 0.000 0.765 176 P CB 0.128 31.819 31.700 -0.014 0.000 0.783 177 D N -1.276 119.126 120.400 0.003 0.000 2.350 177 D HA 0.068 4.724 4.640 0.027 0.000 0.213 177 D C 0.763 177.092 176.300 0.049 0.000 1.031 177 D CA 0.007 54.020 54.000 0.022 0.000 0.861 177 D CB -0.291 40.517 40.800 0.013 0.000 0.926 177 D HN 0.201 nan 8.370 nan 0.000 0.520 178 I N 1.016 121.624 120.570 0.063 0.000 2.377 178 I HA 0.278 4.464 4.170 0.027 0.000 0.293 178 I C -0.687 175.500 176.117 0.118 0.000 0.987 178 I CA -1.351 60.014 61.300 0.107 0.000 1.185 178 I CB 2.333 40.431 38.000 0.163 0.000 1.341 178 I HN -0.116 nan 8.210 nan 0.000 0.455 179 V N 8.225 128.213 119.914 0.124 0.000 2.435 179 V HA 0.569 4.705 4.120 0.027 0.000 0.290 179 V C -0.363 175.840 176.094 0.180 0.000 1.030 179 V CA -0.328 62.064 62.300 0.153 0.000 0.881 179 V CB 1.650 33.577 31.823 0.174 0.000 0.983 179 V HN 0.506 nan 8.190 nan 0.000 0.445 180 I N 6.587 127.279 120.570 0.203 0.000 2.608 180 I HA 0.489 4.675 4.170 0.027 0.000 0.295 180 I C -1.513 174.792 176.117 0.313 0.000 1.049 180 I CA -0.730 60.689 61.300 0.197 0.000 1.063 180 I CB 2.223 40.259 38.000 0.059 0.000 1.248 180 I HN 0.493 nan 8.210 nan 0.000 0.424 181 Y N 3.367 123.667 120.300 -0.001 0.000 2.409 181 Y HA 0.456 5.022 4.550 0.026 0.000 0.343 181 Y C -0.354 175.578 175.900 0.054 0.000 0.973 181 Y CA -1.003 57.099 58.100 0.004 0.000 1.064 181 Y CB 1.960 40.386 38.460 -0.055 0.000 1.207 181 Y HN 0.428 nan 8.280 nan 0.000 0.452 182 Q N 2.682 122.568 119.800 0.143 0.000 2.307 182 Q HA 0.416 4.772 4.340 0.027 0.000 0.262 182 Q C -1.697 174.442 176.000 0.232 0.000 0.961 182 Q CA -0.803 55.075 55.803 0.124 0.000 0.882 182 Q CB 2.413 31.149 28.738 -0.003 0.000 1.264 182 Q HN 0.670 nan 8.270 nan 0.000 0.446 183 Y N 4.184 124.576 120.300 0.153 0.000 2.422 183 Y HA 0.231 4.797 4.550 0.027 0.000 0.344 183 Y C -0.004 176.025 175.900 0.214 0.000 1.097 183 Y CA -0.205 58.017 58.100 0.204 0.000 1.307 183 Y CB 0.305 38.941 38.460 0.293 0.000 1.102 183 Y HN 0.919 nan 8.280 nan 0.000 0.520 184 M N 0.601 120.188 119.600 -0.022 0.000 7.319 184 M HA -0.414 4.082 4.480 0.027 0.000 0.298 184 M C 1.193 177.686 176.300 0.321 0.000 0.480 184 M CA 2.423 57.795 55.300 0.121 0.000 1.311 184 M CB -0.912 31.693 32.600 0.008 0.000 0.421 184 M HN 0.691 nan 8.290 nan 0.000 0.605 185 D N 0.228 120.775 120.400 0.245 0.000 2.348 185 D HA 0.019 4.675 4.640 0.027 0.000 0.211 185 D C -0.135 176.251 176.300 0.144 0.000 0.998 185 D CA 0.744 54.871 54.000 0.213 0.000 0.873 185 D CB -0.285 40.574 40.800 0.098 0.000 0.925 185 D HN 0.432 nan 8.370 nan 0.000 0.524 186 D N 1.011 121.499 120.400 0.146 0.000 2.225 186 D HA 0.283 4.939 4.640 0.027 0.000 0.248 186 D C -0.628 175.616 176.300 -0.092 0.000 1.096 186 D CA -0.466 53.502 54.000 -0.053 0.000 0.863 186 D CB 2.367 43.148 40.800 -0.031 0.000 1.156 186 D HN 0.066 nan 8.370 nan 0.000 0.450 187 L N 4.089 125.141 121.223 -0.284 0.000 2.345 187 L HA 0.275 4.631 4.340 0.027 0.000 0.274 187 L C -1.602 175.063 176.870 -0.342 0.000 0.999 187 L CA -0.640 54.090 54.840 -0.184 0.000 0.849 187 L CB 0.674 42.654 42.059 -0.132 0.000 1.220 187 L HN 0.212 nan 8.230 nan 0.000 0.422 188 Y N 4.199 124.438 120.300 -0.101 0.000 2.341 188 Y HA 0.577 5.143 4.550 0.027 0.000 0.340 188 Y C 0.009 175.852 175.900 -0.095 0.000 0.997 188 Y CA -0.570 57.422 58.100 -0.180 0.000 1.149 188 Y CB 1.493 39.754 38.460 -0.331 0.000 1.171 188 Y HN 0.253 nan 8.280 nan 0.000 0.494 189 V N 3.308 123.252 119.914 0.050 0.000 2.448 189 V HA 0.853 4.989 4.120 0.027 0.000 0.295 189 V C 0.186 176.368 176.094 0.147 0.000 1.025 189 V CA -0.674 61.669 62.300 0.071 0.000 0.859 189 V CB 1.465 33.295 31.823 0.011 0.000 0.988 189 V HN 0.917 nan 8.190 nan 0.000 0.431 190 G N 2.602 111.483 108.800 0.135 0.000 2.619 190 G HA2 0.855 4.831 3.960 0.027 0.000 0.296 190 G HA3 0.855 4.831 3.960 0.027 0.000 0.296 190 G C -0.756 174.246 174.900 0.170 0.000 1.334 190 G CA 0.077 45.267 45.100 0.151 0.000 0.934 190 G HN 1.075 nan 8.290 nan 0.000 0.476 191 S N -0.948 114.855 115.700 0.171 0.000 2.714 191 S HA 0.540 5.026 4.470 0.027 0.000 0.280 191 S C -1.592 173.054 174.600 0.077 0.000 1.200 191 S CA -0.730 57.556 58.200 0.144 0.000 0.900 191 S CB 1.833 65.168 63.200 0.224 0.000 1.235 191 S HN 0.384 nan 8.310 nan 0.000 0.512 192 D N 1.001 121.446 120.400 0.075 0.000 2.891 192 D HA 0.352 5.008 4.640 0.027 0.000 0.332 192 D C -0.697 175.634 176.300 0.052 0.000 1.369 192 D CA 0.023 54.044 54.000 0.036 0.000 0.827 192 D CB 0.432 41.243 40.800 0.018 0.000 1.141 192 D HN 0.351 nan 8.370 nan 0.000 0.464 193 L N 0.826 122.109 121.223 0.100 0.000 2.325 193 L HA 0.213 4.569 4.340 0.027 0.000 0.279 193 L C 1.024 177.942 176.870 0.081 0.000 1.054 193 L CA -0.707 54.192 54.840 0.098 0.000 0.804 193 L CB 1.664 43.807 42.059 0.139 0.000 1.200 193 L HN -0.082 nan 8.230 nan 0.000 0.436 194 E N 2.275 122.507 120.200 0.054 0.000 2.568 194 E HA -0.119 4.247 4.350 0.027 0.000 0.262 194 E C 1.195 177.831 176.600 0.060 0.000 0.961 194 E CA 0.065 56.488 56.400 0.039 0.000 0.945 194 E CB 0.657 30.376 29.700 0.031 0.000 0.924 194 E HN 0.461 nan 8.360 nan 0.000 0.467 195 I N 5.142 125.735 120.570 0.037 0.000 2.242 195 I HA -0.377 3.809 4.170 0.027 0.000 0.242 195 I C 1.859 178.029 176.117 0.089 0.000 0.998 195 I CA 2.430 63.758 61.300 0.047 0.000 1.283 195 I CB -1.398 36.612 38.000 0.016 0.000 0.985 195 I HN 0.745 nan 8.210 nan 0.000 0.415 196 G N -0.758 108.081 108.800 0.066 0.000 2.421 196 G HA2 -0.265 3.711 3.960 0.027 0.000 0.216 196 G HA3 -0.265 3.711 3.960 0.027 0.000 0.216 196 G C 1.448 176.395 174.900 0.078 0.000 1.171 196 G CA 0.726 45.864 45.100 0.064 0.000 0.775 196 G HN 0.554 nan 8.290 nan 0.000 0.543 197 Q N -0.586 119.260 119.800 0.077 0.000 2.077 197 Q HA -0.207 4.149 4.340 0.027 0.000 0.206 197 Q C 2.250 178.304 176.000 0.090 0.000 0.989 197 Q CA 1.716 57.562 55.803 0.071 0.000 0.853 197 Q CB -0.356 28.421 28.738 0.065 0.000 0.907 197 Q HN 0.736 nan 8.270 nan 0.000 0.418 198 H N 0.852 119.945 119.070 0.038 0.000 2.290 198 H HA -0.146 4.426 4.556 0.027 0.000 0.298 198 H C 2.216 177.578 175.328 0.056 0.000 1.087 198 H CA 2.266 58.343 56.048 0.048 0.000 1.291 198 H CB 0.012 29.797 29.762 0.038 0.000 1.369 198 H HN 0.124 nan 8.280 nan 0.000 0.492 199 R N -0.339 120.256 120.500 0.159 0.000 2.103 199 R HA -0.167 4.189 4.340 0.027 0.000 0.242 199 R C 1.868 178.192 176.300 0.040 0.000 1.142 199 R CA 2.206 58.364 56.100 0.098 0.000 0.960 199 R CB -0.586 29.774 30.300 0.099 0.000 0.858 199 R HN 0.387 nan 8.270 nan 0.000 0.439 200 T N 1.398 115.977 114.554 0.041 0.000 2.674 200 T HA -0.096 4.270 4.350 0.027 0.000 0.265 200 T C 1.681 176.409 174.700 0.046 0.000 1.039 200 T CA 1.407 63.531 62.100 0.041 0.000 1.150 200 T CB -0.100 68.793 68.868 0.041 0.000 0.864 200 T HN 0.220 nan 8.240 nan 0.000 0.427 201 K N 0.960 121.377 120.400 0.030 0.000 2.063 201 K HA -0.004 4.332 4.320 0.027 0.000 0.208 201 K C 2.236 178.897 176.600 0.103 0.000 1.048 201 K CA 0.826 57.171 56.287 0.097 0.000 0.928 201 K CB -0.694 31.844 32.500 0.064 0.000 0.713 201 K HN 0.313 nan 8.250 nan 0.000 0.442 202 I N 1.247 121.791 120.570 -0.043 0.000 2.163 202 I HA -0.248 3.938 4.170 0.027 0.000 0.243 202 I C 2.344 178.455 176.117 -0.009 0.000 1.085 202 I CA 1.384 62.645 61.300 -0.066 0.000 1.347 202 I CB -1.002 36.960 38.000 -0.064 0.000 1.044 202 I HN 0.203 nan 8.210 nan 0.000 0.408 203 E N 1.274 121.492 120.200 0.030 0.000 2.110 203 E HA -0.213 4.153 4.350 0.027 0.000 0.193 203 E C 2.070 178.718 176.600 0.080 0.000 0.988 203 E CA 1.417 57.846 56.400 0.049 0.000 0.804 203 E CB -0.072 29.660 29.700 0.053 0.000 0.745 203 E HN 0.460 nan 8.360 nan 0.000 0.458 204 E N 0.075 120.354 120.200 0.131 0.000 2.051 204 E HA -0.187 4.179 4.350 0.027 0.000 0.192 204 E C 2.240 178.984 176.600 0.240 0.000 0.991 204 E CA 1.055 57.588 56.400 0.222 0.000 0.799 204 E CB -0.238 29.657 29.700 0.325 0.000 0.748 204 E HN 0.305 nan 8.360 nan 0.000 0.449 205 L N 0.999 122.270 121.223 0.080 0.000 2.012 205 L HA -0.247 4.109 4.340 0.027 0.000 0.210 205 L C 2.812 179.627 176.870 -0.093 0.000 1.073 205 L CA 1.376 56.025 54.840 -0.318 0.000 0.748 205 L CB -0.187 41.492 42.059 -0.633 0.000 0.891 205 L HN 0.081 nan 8.230 nan 0.000 0.431 206 R N -0.718 119.761 120.500 -0.034 0.000 2.094 206 R HA -0.226 4.130 4.340 0.027 0.000 0.239 206 R C 2.284 178.629 176.300 0.076 0.000 1.137 206 R CA 1.886 57.994 56.100 0.013 0.000 0.943 206 R CB -0.226 30.087 30.300 0.022 0.000 0.850 206 R HN 0.468 nan 8.270 nan 0.000 0.433 207 Q N -0.383 119.475 119.800 0.097 0.000 2.096 207 Q HA -0.236 4.120 4.340 0.027 0.000 0.204 207 Q C 2.104 178.206 176.000 0.170 0.000 0.982 207 Q CA 1.498 57.367 55.803 0.110 0.000 0.850 207 Q CB -0.645 28.154 28.738 0.101 0.000 0.901 207 Q HN 0.563 nan 8.270 nan 0.000 0.422 208 H N 1.230 120.370 119.070 0.117 0.000 2.267 208 H HA -0.058 4.514 4.556 0.027 0.000 0.297 208 H C 2.163 177.665 175.328 0.290 0.000 1.080 208 H CA 1.469 57.643 56.048 0.209 0.000 1.278 208 H CB -0.301 29.568 29.762 0.179 0.000 1.365 208 H HN 0.157 nan 8.280 nan 0.000 0.489 209 L N 0.128 121.591 121.223 0.400 0.000 2.042 209 L HA -0.201 4.155 4.340 0.027 0.000 0.210 209 L C 3.094 180.143 176.870 0.300 0.000 1.076 209 L CA 0.839 55.861 54.840 0.302 0.000 0.749 209 L CB -0.601 41.509 42.059 0.084 0.000 0.893 209 L HN 0.227 nan 8.230 nan 0.000 0.432 210 L N -0.356 120.986 121.223 0.199 0.000 2.013 210 L HA -0.272 4.084 4.340 0.027 0.000 0.212 210 L C 2.980 179.910 176.870 0.100 0.000 1.073 210 L CA 1.437 56.354 54.840 0.128 0.000 0.753 210 L CB -0.335 41.773 42.059 0.082 0.000 0.890 210 L HN 0.222 nan 8.230 nan 0.000 0.432 211 R N -0.987 119.552 120.500 0.065 0.000 2.117 211 R HA -0.220 4.136 4.340 0.027 0.000 0.243 211 R C 1.002 177.163 176.300 -0.231 0.000 1.143 211 R CA 1.841 57.852 56.100 -0.148 0.000 0.968 211 R CB -0.324 29.785 30.300 -0.318 0.000 0.863 211 R HN 0.386 nan 8.270 nan 0.000 0.444 212 W N 0.419 121.744 121.300 0.040 0.000 3.221 212 W HA 0.286 4.962 4.660 0.027 0.000 0.436 212 W C 0.964 177.513 176.519 0.050 0.000 0.913 212 W CA 0.272 57.645 57.345 0.046 0.000 2.004 212 W CB -0.190 29.311 29.460 0.068 0.000 1.007 212 W HN 0.214 nan 8.180 nan 0.000 0.838 213 G N 0.857 109.756 108.800 0.165 0.000 2.233 213 G HA2 -0.330 3.646 3.960 0.027 0.000 0.270 213 G HA3 -0.330 3.646 3.960 0.027 0.000 0.270 213 G C -0.047 174.948 174.900 0.159 0.000 1.011 213 G CA -0.073 45.109 45.100 0.137 0.000 0.762 213 G HN 0.344 nan 8.290 nan 0.000 0.511 214 L N 2.005 123.334 121.223 0.178 0.000 2.264 214 L HA 0.358 4.715 4.340 0.027 0.000 0.287 214 L C 0.970 177.912 176.870 0.119 0.000 1.039 214 L CA -0.416 54.517 54.840 0.156 0.000 0.829 214 L CB 1.088 43.237 42.059 0.150 0.000 1.211 214 L HN 0.288 nan 8.230 nan 0.000 0.427 215 T N -0.543 114.074 114.554 0.105 0.000 2.851 215 T HA 0.395 4.761 4.350 0.027 0.000 0.298 215 T C 0.190 174.928 174.700 0.063 0.000 0.977 215 T CA -0.493 61.653 62.100 0.076 0.000 1.126 215 T CB 1.018 69.927 68.868 0.068 0.000 0.916 215 T HN 0.451 nan 8.240 nan 0.000 0.529 216 T N 3.930 118.511 114.554 0.046 0.000 2.893 216 T HA 0.540 4.906 4.350 0.027 0.000 0.293 216 T C -2.625 172.087 174.700 0.021 0.000 1.027 216 T CA -1.147 60.972 62.100 0.031 0.000 0.988 216 T CB 1.519 70.402 68.868 0.024 0.000 1.043 216 T HN 0.413 nan 8.240 nan 0.000 0.461 217 P HA 0.270 nan 4.420 nan 0.000 0.269 217 P C -0.653 176.665 177.300 0.030 0.000 1.209 217 P CA -0.282 62.813 63.100 -0.008 0.000 0.776 217 P CB 0.442 32.137 31.700 -0.009 0.000 0.876 218 D N 1.236 121.643 120.400 0.012 0.000 2.312 218 D HA 0.212 4.868 4.640 0.027 0.000 0.248 218 D C -0.074 176.345 176.300 0.200 0.000 1.086 218 D CA -0.313 53.729 54.000 0.069 0.000 0.948 218 D CB 0.447 41.270 40.800 0.037 0.000 1.162 218 D HN 0.311 nan 8.370 nan 0.000 0.446 219 K N 0.833 121.338 120.400 0.174 0.000 3.434 219 K HA -0.184 4.152 4.320 0.027 0.000 0.303 219 K C -0.614 176.060 176.600 0.122 0.000 1.351 219 K CA 0.578 56.974 56.287 0.182 0.000 0.900 219 K CB -1.115 31.553 32.500 0.280 0.000 1.385 219 K HN 0.692 nan 8.250 nan 0.000 0.477 220 K N 0.799 121.270 120.400 0.118 0.000 4.868 220 K HA -0.228 4.108 4.320 0.027 0.000 0.314 220 K C -0.218 176.415 176.600 0.055 0.000 0.932 220 K CA 1.005 57.343 56.287 0.084 0.000 0.998 220 K CB -0.849 31.692 32.500 0.068 0.000 1.704 220 K HN 0.423 nan 8.250 nan 0.000 0.426 221 H N 0.749 119.843 119.070 0.039 0.000 2.127 221 H HA 0.051 4.623 4.556 0.027 0.000 0.273 221 H C 1.569 176.930 175.328 0.054 0.000 1.686 221 H CA 1.195 57.267 56.048 0.040 0.000 1.464 221 H CB 0.274 30.053 29.762 0.029 0.000 1.739 221 H HN 0.466 nan 8.280 nan 0.000 0.687 222 Q N 0.065 120.017 119.800 0.254 0.000 2.593 222 Q HA -0.303 4.053 4.340 0.027 0.000 0.238 222 Q C -0.385 175.672 176.000 0.095 0.000 1.101 222 Q CA 2.363 58.281 55.803 0.191 0.000 1.014 222 Q CB -0.584 28.266 28.738 0.187 0.000 0.951 222 Q HN 0.531 nan 8.270 nan 0.000 0.568 223 K N 0.582 121.065 120.400 0.138 0.000 2.098 223 K HA 0.447 4.783 4.320 0.027 0.000 0.261 223 K C -0.503 176.232 176.600 0.225 0.000 0.987 223 K CA -0.261 56.140 56.287 0.191 0.000 0.916 223 K CB 1.324 33.997 32.500 0.288 0.000 1.039 223 K HN 0.162 nan 8.250 nan 0.000 0.455 224 E N 1.377 121.627 120.200 0.083 0.000 2.367 224 E HA 0.312 4.678 4.350 0.027 0.000 0.273 224 E C -2.638 173.645 176.600 -0.528 0.000 0.903 224 E CA -2.380 53.941 56.400 -0.132 0.000 0.764 224 E CB 2.266 31.896 29.700 -0.116 0.000 1.252 224 E HN 0.264 nan 8.360 nan 0.000 0.446 225 P HA 0.107 nan 4.420 nan 0.000 0.268 225 P C -2.520 174.487 177.300 -0.488 0.000 1.205 225 P CA -0.822 61.693 63.100 -0.974 0.000 0.771 225 P CB -0.102 31.174 31.700 -0.707 0.000 0.858 226 P HA 0.140 nan 4.420 nan 0.000 0.271 226 P C -0.886 176.238 177.300 -0.293 0.000 1.220 226 P CA 0.161 62.963 63.100 -0.496 0.000 0.768 226 P CB 0.124 31.416 31.700 -0.680 0.000 0.848 227 F N 2.742 122.695 119.950 0.006 0.000 2.421 227 F HA 0.143 4.686 4.527 0.026 0.000 0.358 227 F C 0.858 176.748 175.800 0.151 0.000 1.115 227 F CA -0.594 57.462 58.000 0.093 0.000 1.160 227 F CB 0.391 39.452 39.000 0.101 0.000 1.123 227 F HN 0.159 nan 8.300 nan 0.000 0.508 228 L N 5.675 127.102 121.223 0.340 0.000 2.401 228 L HA 0.080 4.436 4.340 0.027 0.000 0.283 228 L C -1.285 175.780 176.870 0.326 0.000 1.151 228 L CA -0.036 54.966 54.840 0.271 0.000 0.942 228 L CB -0.494 41.670 42.059 0.175 0.000 1.283 228 L HN 0.800 nan 8.230 nan 0.000 0.442 229 W N 7.937 129.316 121.300 0.131 0.000 2.296 229 W HA 0.417 5.092 4.660 0.026 0.000 0.316 229 W C 0.034 176.593 176.519 0.067 0.000 1.022 229 W CA -1.013 56.357 57.345 0.042 0.000 1.324 229 W CB 0.626 30.039 29.460 -0.080 0.000 1.227 229 W HN 0.519 nan 8.180 nan 0.000 0.409 230 M N 7.004 126.321 119.600 -0.471 0.000 3.480 230 M HA -0.258 4.238 4.480 0.027 0.000 0.163 230 M C 1.388 177.463 176.300 -0.375 0.000 1.420 230 M CA 1.713 56.689 55.300 -0.540 0.000 0.919 230 M CB -1.495 30.529 32.600 -0.961 0.000 1.294 230 M HN 1.070 nan 8.290 nan 0.000 0.559 231 G N -0.403 108.257 108.800 -0.234 0.000 2.302 231 G HA2 -0.323 3.653 3.960 0.027 0.000 0.263 231 G HA3 -0.323 3.653 3.960 0.027 0.000 0.263 231 G C -0.200 174.610 174.900 -0.151 0.000 0.995 231 G CA 0.785 45.742 45.100 -0.239 0.000 0.622 231 G HN 0.663 nan 8.290 nan 0.000 0.538 232 Y N 0.382 120.727 120.300 0.075 0.000 2.403 232 Y HA 0.659 5.225 4.550 0.026 0.000 0.323 232 Y C 0.668 176.722 175.900 0.256 0.000 1.226 232 Y CA -0.820 57.407 58.100 0.211 0.000 1.235 232 Y CB 1.294 39.875 38.460 0.202 0.000 1.248 232 Y HN 0.130 nan 8.280 nan 0.000 0.489 233 E N 2.397 122.911 120.200 0.523 0.000 2.267 233 E HA 0.291 4.657 4.350 0.027 0.000 0.248 233 E C -1.759 175.149 176.600 0.513 0.000 0.899 233 E CA -0.581 56.072 56.400 0.423 0.000 0.764 233 E CB 0.545 30.483 29.700 0.397 0.000 1.227 233 E HN 0.433 nan 8.360 nan 0.000 0.421 234 L N 4.675 126.146 121.223 0.414 0.000 2.313 234 L HA 0.314 4.670 4.340 0.027 0.000 0.282 234 L C -0.049 176.982 176.870 0.269 0.000 1.092 234 L CA 0.076 55.182 54.840 0.443 0.000 0.831 234 L CB -0.324 41.964 42.059 0.383 0.000 1.159 234 L HN 0.603 nan 8.230 nan 0.000 0.442 235 H N 4.145 123.372 119.070 0.262 0.000 2.651 235 H HA 0.384 4.957 4.556 0.027 0.000 0.353 235 H C -1.445 174.004 175.328 0.201 0.000 1.178 235 H CA -1.648 54.484 56.048 0.140 0.000 1.224 235 H CB 0.701 30.515 29.762 0.088 0.000 1.702 235 H HN 0.302 nan 8.280 nan 0.000 0.550 236 P HA -0.136 nan 4.420 nan 0.000 0.219 236 P C -0.325 177.090 177.300 0.192 0.000 1.146 236 P CA 1.542 64.708 63.100 0.111 0.000 0.808 236 P CB 0.434 32.152 31.700 0.029 0.000 0.779 237 D N -1.846 118.710 120.400 0.259 0.000 2.479 237 D HA 0.071 4.727 4.640 0.027 0.000 0.216 237 D C 0.702 177.157 176.300 0.258 0.000 1.110 237 D CA 0.031 54.178 54.000 0.244 0.000 0.841 237 D CB 0.114 40.974 40.800 0.100 0.000 1.040 237 D HN 0.147 nan 8.370 nan 0.000 0.505 238 K N 0.547 121.082 120.400 0.224 0.000 2.597 238 K HA 0.200 4.536 4.320 0.027 0.000 0.282 238 K C -1.680 174.887 176.600 -0.054 0.000 0.975 238 K CA -0.824 55.395 56.287 -0.114 0.000 0.867 238 K CB 0.813 33.184 32.500 -0.215 0.000 1.465 238 K HN 0.174 nan 8.250 nan 0.000 0.417 239 W N 1.239 122.359 121.300 -0.300 0.000 2.551 239 W HA 0.692 5.368 4.660 0.027 0.000 0.330 239 W C -1.323 175.211 176.519 0.025 0.000 1.063 239 W CA -0.860 56.444 57.345 -0.068 0.000 1.222 239 W CB 0.858 30.207 29.460 -0.185 0.000 1.349 239 W HN 0.417 nan 8.180 nan 0.000 0.536 240 T N 1.611 116.367 114.554 0.336 0.000 2.924 240 T HA 0.449 4.815 4.350 0.027 0.000 0.291 240 T C -0.415 174.539 174.700 0.422 0.000 1.045 240 T CA -0.567 61.654 62.100 0.200 0.000 1.015 240 T CB 2.307 71.234 68.868 0.097 0.000 1.103 240 T HN 0.279 nan 8.240 nan 0.000 0.496 241 V N 2.123 122.211 119.914 0.291 0.000 2.509 241 V HA 0.330 4.466 4.120 0.027 0.000 0.284 241 V C 0.526 176.761 176.094 0.234 0.000 1.047 241 V CA -0.794 61.688 62.300 0.303 0.000 0.952 241 V CB 1.340 33.295 31.823 0.221 0.000 0.988 241 V HN 0.828 nan 8.190 nan 0.000 0.469 242 Q N 5.871 125.795 119.800 0.206 0.000 2.315 242 Q HA 0.106 4.462 4.340 0.027 0.000 0.289 242 Q C -2.008 174.094 176.000 0.171 0.000 1.044 242 Q CA -1.189 54.711 55.803 0.160 0.000 0.920 242 Q CB 0.679 29.475 28.738 0.096 0.000 1.214 242 Q HN 0.556 nan 8.270 nan 0.000 0.392 243 P HA -0.074 nan 4.420 nan 0.000 0.260 243 P C -0.688 176.682 177.300 0.118 0.000 1.207 243 P CA 0.144 63.319 63.100 0.127 0.000 0.780 243 P CB 0.093 31.847 31.700 0.091 0.000 0.789 244 I N 5.949 126.609 120.570 0.149 0.000 2.363 244 I HA 0.024 4.210 4.170 0.027 0.000 0.292 244 I C -0.386 175.773 176.117 0.071 0.000 1.075 244 I CA -0.469 60.915 61.300 0.140 0.000 1.333 244 I CB 0.354 38.490 38.000 0.228 0.000 1.415 244 I HN 0.049 nan 8.210 nan 0.000 0.502 245 V N 8.337 128.285 119.914 0.058 0.000 2.509 245 V HA 0.312 4.448 4.120 0.027 0.000 0.284 245 V C 0.275 176.398 176.094 0.049 0.000 1.047 245 V CA -0.714 61.611 62.300 0.041 0.000 0.952 245 V CB 1.233 33.076 31.823 0.033 0.000 0.988 245 V HN 0.494 nan 8.190 nan 0.000 0.469 246 L N 6.217 127.470 121.223 0.049 0.000 2.272 246 L HA 0.432 4.788 4.340 0.027 0.000 0.289 246 L C -2.257 174.676 176.870 0.105 0.000 1.032 246 L CA -1.687 53.203 54.840 0.083 0.000 0.810 246 L CB 1.792 43.890 42.059 0.066 0.000 1.205 246 L HN 0.475 nan 8.230 nan 0.000 0.422 247 P HA 0.048 nan 4.420 nan 0.000 0.268 247 P C -0.558 176.815 177.300 0.122 0.000 1.282 247 P CA -0.188 62.967 63.100 0.091 0.000 0.880 247 P CB 0.293 32.027 31.700 0.056 0.000 0.971 248 E N 4.312 124.553 120.200 0.067 0.000 2.070 248 E HA 0.150 4.516 4.350 0.027 0.000 0.282 248 E C 0.035 176.616 176.600 -0.032 0.000 1.104 248 E CA -0.250 56.197 56.400 0.078 0.000 0.876 248 E CB 0.114 29.847 29.700 0.054 0.000 1.055 248 E HN 0.351 nan 8.360 nan 0.000 0.401 249 K N 2.473 122.812 120.400 -0.102 0.000 2.283 249 K HA 0.484 4.820 4.320 0.027 0.000 0.257 249 K C -0.496 175.992 176.600 -0.187 0.000 1.066 249 K CA -0.865 55.267 56.287 -0.258 0.000 0.891 249 K CB 1.089 33.263 32.500 -0.543 0.000 1.438 249 K HN 0.107 nan 8.250 nan 0.000 0.464 250 D N -0.194 120.084 120.400 -0.203 0.000 2.500 250 D HA 0.069 4.725 4.640 0.027 0.000 0.217 250 D C -0.592 175.661 176.300 -0.078 0.000 1.159 250 D CA 0.248 54.203 54.000 -0.075 0.000 0.828 250 D CB 1.266 42.045 40.800 -0.035 0.000 1.039 250 D HN 0.395 nan 8.370 nan 0.000 0.512 251 S N -0.053 115.505 115.700 -0.237 0.000 2.521 251 S HA 0.525 5.011 4.470 0.027 0.000 0.295 251 S C -1.929 172.491 174.600 -0.300 0.000 1.098 251 S CA -0.609 57.502 58.200 -0.148 0.000 0.999 251 S CB 1.080 64.203 63.200 -0.129 0.000 1.034 251 S HN 0.086 nan 8.310 nan 0.000 0.483 252 W N 2.485 123.782 121.300 -0.005 0.000 2.715 252 W HA 0.430 5.107 4.660 0.028 0.000 0.331 252 W C 0.185 176.702 176.519 -0.004 0.000 1.031 252 W CA -0.631 56.711 57.345 -0.005 0.000 1.237 252 W CB 2.024 31.481 29.460 -0.005 0.000 1.378 252 W HN 0.751 nan 8.180 nan 0.000 0.454 253 T N -1.171 113.533 114.554 0.250 0.000 2.943 253 T HA 0.329 4.695 4.350 0.027 0.000 0.284 253 T C 0.849 175.644 174.700 0.158 0.000 1.015 253 T CA -0.697 61.492 62.100 0.150 0.000 1.042 253 T CB 1.470 70.386 68.868 0.080 0.000 1.055 253 T HN 0.200 nan 8.240 nan 0.000 0.500 254 V N 1.887 121.859 119.914 0.096 0.000 2.231 254 V HA -0.244 3.892 4.120 0.027 0.000 0.250 254 V C 2.948 179.086 176.094 0.074 0.000 1.058 254 V CA 2.457 64.799 62.300 0.069 0.000 1.022 254 V CB -1.225 30.625 31.823 0.044 0.000 0.640 254 V HN 0.986 nan 8.190 nan 0.000 0.445 255 N N 0.581 119.323 118.700 0.070 0.000 2.018 255 N HA -0.216 4.540 4.740 0.027 0.000 0.196 255 N C 1.532 177.100 175.510 0.097 0.000 1.043 255 N CA 2.192 55.281 53.050 0.064 0.000 0.856 255 N CB -0.555 37.961 38.487 0.049 0.000 1.042 255 N HN 0.513 nan 8.380 nan 0.000 0.423 256 D N 0.248 120.737 120.400 0.148 0.000 2.190 256 D HA -0.135 4.521 4.640 0.027 0.000 0.200 256 D C 1.958 178.433 176.300 0.291 0.000 0.992 256 D CA 0.555 54.707 54.000 0.253 0.000 0.854 256 D CB -0.147 40.850 40.800 0.329 0.000 0.936 256 D HN 0.356 nan 8.370 nan 0.000 0.462 257 I N 0.894 121.576 120.570 0.187 0.000 2.286 257 I HA -0.181 4.005 4.170 0.027 0.000 0.245 257 I C 2.335 178.449 176.117 -0.005 0.000 1.104 257 I CA 0.984 62.288 61.300 0.008 0.000 1.397 257 I CB -1.051 36.929 38.000 -0.034 0.000 1.072 257 I HN 0.099 nan 8.210 nan 0.000 0.417 258 Q N 1.024 120.841 119.800 0.028 0.000 2.050 258 Q HA -0.213 4.143 4.340 0.027 0.000 0.202 258 Q C 2.227 178.244 176.000 0.029 0.000 0.980 258 Q CA 1.534 57.349 55.803 0.020 0.000 0.840 258 Q CB -0.183 28.570 28.738 0.026 0.000 0.898 258 Q HN 0.520 nan 8.270 nan 0.000 0.424 259 K N 0.480 120.910 120.400 0.051 0.000 2.063 259 K HA -0.184 4.152 4.320 0.027 0.000 0.208 259 K C 2.113 178.748 176.600 0.058 0.000 1.048 259 K CA 1.066 57.386 56.287 0.054 0.000 0.928 259 K CB -0.273 32.269 32.500 0.070 0.000 0.713 259 K HN 0.061 nan 8.250 nan 0.000 0.442 260 L N 1.211 122.473 121.223 0.065 0.000 1.970 260 L HA -0.193 4.163 4.340 0.027 0.000 0.212 260 L C 2.113 178.985 176.870 0.003 0.000 1.071 260 L CA 1.553 56.413 54.840 0.034 0.000 0.751 260 L CB -0.481 41.538 42.059 -0.067 0.000 0.889 260 L HN -0.082 nan 8.230 nan 0.000 0.432 261 V N 0.455 120.355 119.914 -0.024 0.000 2.370 261 V HA -0.306 3.830 4.120 0.027 0.000 0.252 261 V C 2.583 178.694 176.094 0.028 0.000 1.068 261 V CA 1.827 64.118 62.300 -0.015 0.000 1.061 261 V CB -1.928 29.881 31.823 -0.023 0.000 0.656 261 V HN 0.694 nan 8.190 nan 0.000 0.455 262 G N -0.184 108.640 108.800 0.040 0.000 2.511 262 G HA2 -0.291 3.685 3.960 0.027 0.000 0.216 262 G HA3 -0.291 3.685 3.960 0.027 0.000 0.216 262 G C 1.588 176.553 174.900 0.108 0.000 1.218 262 G CA 1.138 46.277 45.100 0.064 0.000 0.788 262 G HN 0.419 nan 8.290 nan 0.000 0.560 263 K N -0.049 120.411 120.400 0.100 0.000 2.074 263 K HA 0.021 4.357 4.320 0.027 0.000 0.209 263 K C 2.457 179.175 176.600 0.197 0.000 1.048 263 K CA 0.605 56.986 56.287 0.158 0.000 0.926 263 K CB -0.547 32.020 32.500 0.112 0.000 0.713 263 K HN 0.163 nan 8.250 nan 0.000 0.444 264 L N 0.739 122.025 121.223 0.105 0.000 2.131 264 L HA -0.177 4.179 4.340 0.027 0.000 0.210 264 L C 1.936 178.851 176.870 0.075 0.000 1.092 264 L CA 1.720 56.598 54.840 0.063 0.000 0.759 264 L CB -1.196 40.867 42.059 0.006 0.000 0.903 264 L HN 0.339 nan 8.230 nan 0.000 0.435 265 N N -1.047 117.712 118.700 0.098 0.000 2.270 265 N HA -0.229 4.527 4.740 0.027 0.000 0.181 265 N C 1.835 177.424 175.510 0.131 0.000 1.016 265 N CA 0.849 53.955 53.050 0.093 0.000 0.870 265 N CB -0.167 38.374 38.487 0.091 0.000 0.979 265 N HN 0.307 nan 8.380 nan 0.000 0.431 266 W N 1.283 122.600 121.300 0.029 0.000 2.381 266 W HA 0.078 4.756 4.660 0.030 0.000 0.301 266 W C 2.167 178.721 176.519 0.057 0.000 1.205 266 W CA 1.758 59.125 57.345 0.035 0.000 1.285 266 W CB -0.709 28.764 29.460 0.022 0.000 1.133 266 W HN 0.101 nan 8.180 nan 0.000 0.521 267 A N 0.512 123.326 122.820 -0.009 0.000 1.978 267 A HA -0.262 4.074 4.320 0.027 0.000 0.220 267 A C 2.144 179.674 177.584 -0.090 0.000 1.170 267 A CA 2.826 54.791 52.037 -0.119 0.000 0.636 267 A CB -1.582 17.467 19.000 0.082 0.000 0.810 267 A HN 0.455 nan 8.150 nan 0.000 0.448 268 S N -0.563 115.101 115.700 -0.060 0.000 2.402 268 S HA -0.289 4.197 4.470 0.027 0.000 0.233 268 S C 1.862 176.392 174.600 -0.116 0.000 1.030 268 S CA 1.522 59.694 58.200 -0.046 0.000 1.003 268 S CB -0.519 62.666 63.200 -0.025 0.000 0.813 268 S HN 0.603 nan 8.310 nan 0.000 0.477 269 Q N 0.593 120.264 119.800 -0.214 0.000 2.061 269 Q HA 0.022 4.378 4.340 0.027 0.000 0.204 269 Q C 2.190 178.014 176.000 -0.294 0.000 0.984 269 Q CA 1.389 57.035 55.803 -0.261 0.000 0.846 269 Q CB -0.563 27.991 28.738 -0.307 0.000 0.902 269 Q HN 0.692 nan 8.270 nan 0.000 0.421 270 I N -1.251 119.105 120.570 -0.356 0.000 3.427 270 I HA -0.081 4.105 4.170 0.027 0.000 0.288 270 I C -0.207 175.597 176.117 -0.522 0.000 1.249 270 I CA 0.438 61.480 61.300 -0.431 0.000 1.421 270 I CB 0.310 38.001 38.000 -0.514 0.000 1.086 270 I HN -0.044 nan 8.210 nan 0.000 0.448 271 Y N 1.687 121.869 120.300 -0.197 0.000 2.837 271 Y HA 0.464 5.029 4.550 0.025 0.000 0.356 271 Y C -2.297 173.529 175.900 -0.124 0.000 1.035 271 Y CA -3.004 55.009 58.100 -0.144 0.000 1.165 271 Y CB 0.276 38.663 38.460 -0.122 0.000 1.147 271 Y HN 0.036 nan 8.280 nan 0.000 0.628 272 P HA 0.152 nan 4.420 nan 0.000 0.262 272 P C 0.859 178.154 177.300 -0.008 0.000 1.455 272 P CA 0.870 63.949 63.100 -0.034 0.000 1.217 272 P CB 0.228 31.885 31.700 -0.071 0.000 1.625 273 G N 2.521 111.322 108.800 0.002 0.000 4.044 273 G HA2 -0.057 3.919 3.960 0.027 0.000 0.189 273 G HA3 -0.057 3.919 3.960 0.027 0.000 0.189 273 G C 0.012 174.902 174.900 -0.016 0.000 0.838 273 G CA -0.297 44.799 45.100 -0.007 0.000 0.876 273 G HN 0.228 nan 8.290 nan 0.000 0.419 274 I N 1.842 122.405 120.570 -0.012 0.000 2.775 274 I HA 0.240 4.426 4.170 0.027 0.000 0.290 274 I C 0.186 176.286 176.117 -0.028 0.000 1.203 274 I CA 0.907 62.189 61.300 -0.031 0.000 1.433 274 I CB 0.386 38.370 38.000 -0.026 0.000 1.354 274 I HN 0.104 nan 8.210 nan 0.000 0.579 275 K N 4.223 124.601 120.400 -0.037 0.000 2.464 275 K HA 0.481 4.817 4.320 0.027 0.000 0.253 275 K C 0.122 176.696 176.600 -0.043 0.000 0.933 275 K CA -0.558 55.708 56.287 -0.035 0.000 0.801 275 K CB 2.769 35.247 32.500 -0.036 0.000 1.271 275 K HN 0.412 nan 8.250 nan 0.000 0.430 276 V N -1.133 118.758 119.914 -0.038 0.000 3.346 276 V HA 0.189 4.325 4.120 0.027 0.000 0.309 276 V C 1.675 177.741 176.094 -0.047 0.000 1.457 276 V CA -0.252 62.019 62.300 -0.048 0.000 1.069 276 V CB 0.367 32.168 31.823 -0.037 0.000 0.944 276 V HN 0.726 nan 8.190 nan 0.000 0.449 277 R N 1.315 121.791 120.500 -0.039 0.000 2.143 277 R HA -0.280 4.076 4.340 0.027 0.000 0.239 277 R C 2.122 178.397 176.300 -0.042 0.000 1.126 277 R CA 2.874 58.953 56.100 -0.035 0.000 0.927 277 R CB -0.504 29.776 30.300 -0.033 0.000 0.860 277 R HN 0.592 nan 8.270 nan 0.000 0.433 278 Q N 0.056 119.825 119.800 -0.051 0.000 2.079 278 Q HA -0.005 4.351 4.340 0.027 0.000 0.200 278 Q C 0.593 176.549 176.000 -0.073 0.000 0.974 278 Q CA 0.677 56.446 55.803 -0.057 0.000 0.840 278 Q CB -0.331 28.371 28.738 -0.060 0.000 0.898 278 Q HN 0.121 nan 8.270 nan 0.000 0.430 282 L N 1.784 122.980 121.223 -0.045 0.000 2.633 282 L HA -0.002 4.354 4.340 0.027 0.000 0.235 282 L C 1.244 178.102 176.870 -0.021 0.000 1.163 282 L CA 1.450 56.267 54.840 -0.039 0.000 0.859 282 L CB -0.777 41.242 42.059 -0.067 0.000 0.973 282 L HN 0.170 nan 8.230 nan 0.000 0.451 283 L N -1.335 119.876 121.223 -0.019 0.000 2.693 283 L HA 0.174 4.530 4.340 0.027 0.000 0.235 283 L C 1.173 178.041 176.870 -0.003 0.000 1.127 283 L CA 0.150 54.986 54.840 -0.008 0.000 0.914 283 L CB -0.188 41.866 42.059 -0.008 0.000 1.193 283 L HN 0.027 nan 8.230 nan 0.000 0.502 284 R N 0.623 121.119 120.500 -0.006 0.000 2.484 284 R HA 0.347 4.703 4.340 0.027 0.000 0.293 284 R C 1.163 177.463 176.300 0.000 0.000 1.023 284 R CA 0.637 56.734 56.100 -0.004 0.000 1.037 284 R CB -0.099 30.197 30.300 -0.006 0.000 0.951 284 R HN 0.282 nan 8.270 nan 0.000 0.418 285 G N 2.428 111.229 108.800 0.002 0.000 2.249 285 G HA2 -0.323 3.653 3.960 0.027 0.000 0.273 285 G HA3 -0.323 3.653 3.960 0.027 0.000 0.273 285 G C 0.230 175.134 174.900 0.006 0.000 1.036 285 G CA 0.643 45.746 45.100 0.004 0.000 0.824 285 G HN 0.732 nan 8.290 nan 0.000 0.504 286 T N -1.577 112.982 114.554 0.008 0.000 2.853 286 T HA 0.483 4.849 4.350 0.027 0.000 0.298 286 T C 1.500 176.207 174.700 0.011 0.000 0.978 286 T CA 0.352 62.459 62.100 0.011 0.000 1.152 286 T CB 1.626 70.502 68.868 0.014 0.000 0.914 286 T HN 0.721 nan 8.240 nan 0.000 0.539 287 K N 2.245 122.652 120.400 0.012 0.000 2.137 287 K HA 0.385 4.721 4.320 0.027 0.000 0.202 287 K C 0.722 177.329 176.600 0.012 0.000 1.052 287 K CA 0.171 56.465 56.287 0.011 0.000 0.961 287 K CB 0.327 32.833 32.500 0.010 0.000 0.741 287 K HN 0.668 nan 8.250 nan 0.000 0.452 288 A N 0.697 123.526 122.820 0.014 0.000 2.475 288 A HA 0.435 4.771 4.320 0.027 0.000 0.301 288 A C 0.044 177.639 177.584 0.019 0.000 1.059 288 A CA -0.751 51.295 52.037 0.015 0.000 0.710 288 A CB 1.474 20.482 19.000 0.013 0.000 1.288 288 A HN 0.122 nan 8.150 nan 0.000 0.408 289 L N 1.457 122.691 121.223 0.019 0.000 2.191 289 L HA -0.064 4.292 4.340 0.027 0.000 0.212 289 L C 2.388 179.275 176.870 0.028 0.000 1.103 289 L CA 2.825 57.679 54.840 0.023 0.000 0.769 289 L CB -0.224 41.847 42.059 0.020 0.000 0.908 289 L HN 0.896 nan 8.230 nan 0.000 0.438 290 T N -3.955 110.613 114.554 0.023 0.000 3.107 290 T HA 0.032 4.398 4.350 0.027 0.000 0.249 290 T C 0.761 175.477 174.700 0.025 0.000 1.096 290 T CA -0.373 61.740 62.100 0.022 0.000 1.012 290 T CB -0.386 68.490 68.868 0.013 0.000 0.977 290 T HN 0.344 nan 8.240 nan 0.000 0.527 291 E N 2.432 122.649 120.200 0.029 0.000 2.376 291 E HA 0.258 4.624 4.350 0.027 0.000 0.266 291 E C 0.006 176.633 176.600 0.044 0.000 1.009 291 E CA -0.635 55.783 56.400 0.030 0.000 0.902 291 E CB 0.812 30.528 29.700 0.026 0.000 0.972 291 E HN 0.360 nan 8.360 nan 0.000 0.439 292 V N 3.382 123.322 119.914 0.043 0.000 2.530 292 V HA 0.341 4.477 4.120 0.027 0.000 0.282 292 V C 0.023 176.157 176.094 0.067 0.000 1.048 292 V CA -0.688 61.649 62.300 0.062 0.000 0.997 292 V CB 0.836 32.686 31.823 0.045 0.000 0.987 292 V HN 0.443 nan 8.190 nan 0.000 0.477 293 I N 6.168 126.796 120.570 0.098 0.000 2.362 293 I HA 0.437 4.623 4.170 0.027 0.000 0.289 293 I C -2.179 173.994 176.117 0.092 0.000 0.994 293 I CA -2.494 58.853 61.300 0.078 0.000 1.158 293 I CB 1.524 39.562 38.000 0.062 0.000 1.315 293 I HN 0.558 nan 8.210 nan 0.000 0.451 294 P HA 0.081 nan 4.420 nan 0.000 0.269 294 P C -0.286 177.044 177.300 0.051 0.000 1.252 294 P CA -0.499 62.638 63.100 0.061 0.000 0.780 294 P CB 0.871 32.594 31.700 0.038 0.000 0.829 295 L N 4.303 125.572 121.223 0.076 0.000 2.562 295 L HA 0.076 4.432 4.340 0.027 0.000 0.271 295 L C 1.102 177.979 176.870 0.011 0.000 1.167 295 L CA 0.712 55.569 54.840 0.029 0.000 0.917 295 L CB -0.203 41.891 42.059 0.060 0.000 1.187 295 L HN 0.395 nan 8.230 nan 0.000 0.482 296 T N 2.155 116.700 114.554 -0.014 0.000 2.900 296 T HA 0.075 4.441 4.350 0.027 0.000 0.307 296 T C 1.296 175.986 174.700 -0.016 0.000 1.065 296 T CA 0.290 62.383 62.100 -0.013 0.000 1.105 296 T CB 0.668 69.523 68.868 -0.021 0.000 0.979 296 T HN 0.845 nan 8.240 nan 0.000 0.544 297 E N 1.784 121.978 120.200 -0.009 0.000 2.153 297 E HA -0.179 4.187 4.350 0.027 0.000 0.194 297 E C 1.645 178.233 176.600 -0.019 0.000 0.988 297 E CA 1.553 57.947 56.400 -0.009 0.000 0.811 297 E CB -0.228 29.469 29.700 -0.005 0.000 0.746 297 E HN 0.752 nan 8.360 nan 0.000 0.466 298 E N 0.863 121.048 120.200 -0.024 0.000 2.110 298 E HA -0.118 4.248 4.350 0.027 0.000 0.193 298 E C 2.007 178.581 176.600 -0.044 0.000 0.988 298 E CA 1.618 57.999 56.400 -0.031 0.000 0.804 298 E CB -0.355 29.327 29.700 -0.030 0.000 0.745 298 E HN 0.493 nan 8.360 nan 0.000 0.458 299 A N 0.793 123.580 122.820 -0.055 0.000 1.929 299 A HA -0.144 4.192 4.320 0.027 0.000 0.216 299 A C 1.932 179.466 177.584 -0.083 0.000 1.176 299 A CA 1.035 53.020 52.037 -0.086 0.000 0.628 299 A CB -0.236 18.695 19.000 -0.114 0.000 0.816 299 A HN 0.059 nan 8.150 nan 0.000 0.444 300 E N 0.107 120.277 120.200 -0.051 0.000 2.058 300 E HA -0.161 4.205 4.350 0.027 0.000 0.194 300 E C 2.011 178.595 176.600 -0.028 0.000 0.997 300 E CA 0.897 57.281 56.400 -0.027 0.000 0.801 300 E CB -0.373 29.326 29.700 -0.001 0.000 0.746 300 E HN 0.435 nan 8.360 nan 0.000 0.450 301 L N 0.974 122.180 121.223 -0.028 0.000 2.046 301 L HA -0.161 4.195 4.340 0.027 0.000 0.208 301 L C 2.425 179.273 176.870 -0.037 0.000 1.077 301 L CA 1.510 56.334 54.840 -0.027 0.000 0.747 301 L CB -1.028 41.017 42.059 -0.024 0.000 0.896 301 L HN 0.244 nan 8.230 nan 0.000 0.432 302 E N 0.155 120.326 120.200 -0.049 0.000 2.028 302 E HA -0.236 4.130 4.350 0.027 0.000 0.191 302 E C 2.458 179.018 176.600 -0.067 0.000 0.988 302 E CA 0.952 57.318 56.400 -0.058 0.000 0.799 302 E CB -0.050 29.610 29.700 -0.067 0.000 0.755 302 E HN 0.352 nan 8.360 nan 0.000 0.447 303 L N 0.348 121.521 121.223 -0.083 0.000 2.042 303 L HA -0.214 4.142 4.340 0.027 0.000 0.210 303 L C 2.455 179.296 176.870 -0.049 0.000 1.076 303 L CA 1.571 56.359 54.840 -0.087 0.000 0.749 303 L CB -0.334 41.653 42.059 -0.120 0.000 0.893 303 L HN 0.260 nan 8.230 nan 0.000 0.432 304 A N -0.611 122.190 122.820 -0.032 0.000 1.877 304 A HA -0.292 4.044 4.320 0.027 0.000 0.216 304 A C 2.175 179.740 177.584 -0.032 0.000 1.186 304 A CA 1.818 53.844 52.037 -0.019 0.000 0.620 304 A CB -0.674 18.320 19.000 -0.010 0.000 0.822 304 A HN 0.585 nan 8.150 nan 0.000 0.443 305 E N -0.076 120.101 120.200 -0.038 0.000 2.085 305 E HA -0.255 4.111 4.350 0.027 0.000 0.194 305 E C 1.714 178.280 176.600 -0.057 0.000 0.994 305 E CA 1.443 57.818 56.400 -0.042 0.000 0.801 305 E CB -0.145 29.531 29.700 -0.040 0.000 0.743 305 E HN 0.561 nan 8.360 nan 0.000 0.453 306 N N 0.554 119.215 118.700 -0.066 0.000 2.166 306 N HA -0.146 4.610 4.740 0.027 0.000 0.186 306 N C 1.753 177.197 175.510 -0.111 0.000 1.019 306 N CA 1.063 54.058 53.050 -0.092 0.000 0.856 306 N CB -0.267 38.169 38.487 -0.086 0.000 0.993 306 N HN 0.212 nan 8.380 nan 0.000 0.426 307 R N 0.785 121.240 120.500 -0.076 0.000 2.091 307 R HA -0.046 4.310 4.340 0.027 0.000 0.238 307 R C 1.743 177.995 176.300 -0.080 0.000 1.136 307 R CA 0.858 56.917 56.100 -0.068 0.000 0.959 307 R CB -0.094 30.188 30.300 -0.030 0.000 0.856 307 R HN 0.219 nan 8.270 nan 0.000 0.437 308 E N 0.523 120.683 120.200 -0.065 0.000 2.150 308 E HA -0.134 4.232 4.350 0.027 0.000 0.193 308 E C 1.984 178.539 176.600 -0.075 0.000 0.985 308 E CA 0.854 57.221 56.400 -0.056 0.000 0.814 308 E CB 0.056 29.733 29.700 -0.039 0.000 0.752 308 E HN 0.272 nan 8.360 nan 0.000 0.466 309 I N 0.551 121.053 120.570 -0.112 0.000 2.286 309 I HA -0.191 3.995 4.170 0.027 0.000 0.245 309 I C 2.307 178.251 176.117 -0.287 0.000 1.104 309 I CA 0.803 62.019 61.300 -0.140 0.000 1.397 309 I CB -1.093 36.818 38.000 -0.149 0.000 1.072 309 I HN 0.084 nan 8.210 nan 0.000 0.417 310 L N 0.412 121.388 121.223 -0.412 0.000 2.622 310 L HA -0.114 4.242 4.340 0.027 0.000 0.233 310 L C 2.269 179.025 176.870 -0.191 0.000 1.156 310 L CA 0.420 54.940 54.840 -0.533 0.000 0.866 310 L CB -0.562 41.258 42.059 -0.399 0.000 0.980 310 L HN 0.185 nan 8.230 nan 0.000 0.448 311 K N 0.583 120.921 120.400 -0.103 0.000 2.103 311 K HA -0.086 4.250 4.320 0.027 0.000 0.204 311 K C 1.117 177.730 176.600 0.021 0.000 1.052 311 K CA 0.701 56.971 56.287 -0.028 0.000 0.945 311 K CB 0.212 32.698 32.500 -0.023 0.000 0.722 311 K HN -0.023 nan 8.250 nan 0.000 0.443 312 E N 2.121 122.352 120.200 0.050 0.000 2.180 312 E HA 0.076 4.442 4.350 0.027 0.000 0.283 312 E C -2.451 174.250 176.600 0.168 0.000 1.061 312 E CA -2.426 54.029 56.400 0.092 0.000 0.861 312 E CB 0.847 30.596 29.700 0.082 0.000 1.056 312 E HN 0.134 nan 8.360 nan 0.000 0.407 313 P HA 0.079 nan 4.420 nan 0.000 0.276 313 P C -0.267 177.066 177.300 0.055 0.000 1.253 313 P CA -0.259 62.921 63.100 0.133 0.000 0.766 313 P CB 0.833 32.597 31.700 0.106 0.000 0.845 314 V N 5.569 125.451 119.914 -0.053 0.000 2.686 314 V HA 0.264 4.400 4.120 0.027 0.000 0.295 314 V C 0.738 176.662 176.094 -0.283 0.000 1.057 314 V CA -0.193 61.928 62.300 -0.299 0.000 1.012 314 V CB 0.544 32.061 31.823 -0.511 0.000 1.006 314 V HN 0.722 nan 8.190 nan 0.000 0.477 315 H N 1.910 120.750 119.070 -0.384 0.000 2.759 315 H HA 0.696 5.269 4.556 0.028 0.000 0.354 315 H C -0.235 174.610 175.328 -0.806 0.000 1.074 315 H CA -0.621 55.089 56.048 -0.563 0.000 1.226 315 H CB 1.905 31.419 29.762 -0.413 0.000 1.648 315 H HN 0.727 nan 8.280 nan 0.000 0.529 316 G N 1.190 109.105 108.800 -1.475 0.000 2.521 316 G HA2 0.476 4.452 3.960 0.027 0.000 0.323 316 G HA3 0.476 4.452 3.960 0.027 0.000 0.323 316 G C -0.870 173.370 174.900 -1.100 0.000 1.211 316 G CA -0.566 43.681 45.100 -1.421 0.000 0.979 316 G HN 0.514 nan 8.290 nan 0.000 0.490 317 V N -1.028 118.679 119.914 -0.345 0.000 3.234 317 V HA 0.723 4.859 4.120 0.027 0.000 0.317 317 V C -0.925 175.248 176.094 0.132 0.000 1.147 317 V CA -0.926 61.297 62.300 -0.128 0.000 1.037 317 V CB 1.743 33.574 31.823 0.012 0.000 1.148 317 V HN 0.586 nan 8.190 nan 0.000 0.455 318 Y N 0.477 120.986 120.300 0.349 0.000 2.458 318 Y HA 0.432 4.999 4.550 0.028 0.000 0.322 318 Y C -0.342 175.771 175.900 0.354 0.000 1.259 318 Y CA -0.268 58.043 58.100 0.353 0.000 1.302 318 Y CB 0.487 39.086 38.460 0.232 0.000 1.314 318 Y HN 0.580 nan 8.280 nan 0.000 0.509 319 Y N 1.714 122.272 120.300 0.431 0.000 2.335 319 Y HA 0.245 4.811 4.550 0.026 0.000 0.331 319 Y C -0.682 175.335 175.900 0.196 0.000 1.094 319 Y CA -1.494 56.788 58.100 0.303 0.000 1.253 319 Y CB 0.699 39.431 38.460 0.454 0.000 1.203 319 Y HN 0.608 nan 8.280 nan 0.000 0.508 320 D N 8.006 128.211 120.400 -0.325 0.000 2.446 320 D HA 0.386 5.042 4.640 0.027 0.000 0.251 320 D C -2.231 173.651 176.300 -0.697 0.000 1.137 320 D CA -2.275 51.499 54.000 -0.377 0.000 0.890 320 D CB 1.651 42.378 40.800 -0.121 0.000 1.071 320 D HN 0.264 nan 8.370 nan 0.000 0.528 321 P HA -0.196 nan 4.420 nan 0.000 0.218 321 P C 0.789 177.954 177.300 -0.227 0.000 1.147 321 P CA 1.063 63.816 63.100 -0.578 0.000 0.827 321 P CB 0.092 31.628 31.700 -0.274 0.000 0.778 322 S N -2.575 113.018 115.700 -0.178 0.000 2.720 322 S HA 0.079 4.565 4.470 0.027 0.000 0.222 322 S C 0.552 175.113 174.600 -0.065 0.000 0.958 322 S CA 0.345 58.492 58.200 -0.088 0.000 0.943 322 S CB -0.610 62.550 63.200 -0.067 0.000 0.779 322 S HN 0.168 nan 8.310 nan 0.000 0.526 323 K N 1.029 121.384 120.400 -0.075 0.000 2.443 323 K HA 0.371 4.707 4.320 0.027 0.000 0.251 323 K C -1.100 175.490 176.600 -0.017 0.000 0.972 323 K CA -0.890 55.374 56.287 -0.037 0.000 0.833 323 K CB 1.248 33.731 32.500 -0.030 0.000 1.317 323 K HN 0.088 nan 8.250 nan 0.000 0.441 324 D N 1.204 121.583 120.400 -0.035 0.000 2.363 324 D HA 0.083 4.739 4.640 0.027 0.000 0.240 324 D C -0.301 175.922 176.300 -0.128 0.000 1.236 324 D CA 0.209 54.169 54.000 -0.068 0.000 0.927 324 D CB 0.884 41.632 40.800 -0.086 0.000 1.150 324 D HN 0.151 nan 8.370 nan 0.000 0.458 325 L N 1.897 122.992 121.223 -0.212 0.000 2.316 325 L HA 0.298 4.654 4.340 0.027 0.000 0.280 325 L C -0.657 175.934 176.870 -0.465 0.000 1.006 325 L CA -0.663 53.949 54.840 -0.380 0.000 0.836 325 L CB 1.067 42.861 42.059 -0.442 0.000 1.221 325 L HN 0.118 nan 8.230 nan 0.000 0.418 326 I N 3.253 123.451 120.570 -0.620 0.000 2.441 326 I HA 0.547 4.733 4.170 0.027 0.000 0.295 326 I C 0.209 175.823 176.117 -0.839 0.000 0.994 326 I CA -0.572 60.290 61.300 -0.731 0.000 1.144 326 I CB 1.776 39.275 38.000 -0.836 0.000 1.314 326 I HN 0.523 nan 8.210 nan 0.000 0.445 327 A N 5.593 128.050 122.820 -0.605 0.000 2.332 327 A HA 0.574 4.910 4.320 0.027 0.000 0.300 327 A C -0.386 177.152 177.584 -0.076 0.000 1.153 327 A CA -0.587 51.238 52.037 -0.354 0.000 0.764 327 A CB 1.079 19.811 19.000 -0.446 0.000 1.174 327 A HN 0.765 nan 8.150 nan 0.000 0.467 328 E N 2.519 122.761 120.200 0.069 0.000 2.191 328 E HA 0.691 5.057 4.350 0.027 0.000 0.274 328 E C -1.211 175.503 176.600 0.189 0.000 0.948 328 E CA -0.471 56.016 56.400 0.145 0.000 0.802 328 E CB 1.065 30.868 29.700 0.173 0.000 1.137 328 E HN 0.640 nan 8.360 nan 0.000 0.397 329 I N 2.924 123.597 120.570 0.171 0.000 2.608 329 I HA 0.304 4.490 4.170 0.027 0.000 0.295 329 I C -0.731 175.499 176.117 0.190 0.000 1.049 329 I CA -0.847 60.574 61.300 0.202 0.000 1.063 329 I CB 2.075 40.163 38.000 0.148 0.000 1.248 329 I HN 0.481 nan 8.210 nan 0.000 0.424 330 Q N 3.456 123.392 119.800 0.227 0.000 2.451 330 Q HA 0.497 4.853 4.340 0.027 0.000 0.281 330 Q C -1.068 175.057 176.000 0.207 0.000 1.099 330 Q CA -0.988 54.920 55.803 0.175 0.000 0.806 330 Q CB 2.657 31.441 28.738 0.077 0.000 1.419 330 Q HN 0.386 nan 8.270 nan 0.000 0.427 331 K N 1.236 121.652 120.400 0.028 0.000 2.367 331 K HA 0.221 4.557 4.320 0.027 0.000 0.263 331 K C -0.087 176.369 176.600 -0.241 0.000 1.000 331 K CA -0.212 55.883 56.287 -0.321 0.000 0.891 331 K CB 0.768 32.926 32.500 -0.570 0.000 1.117 331 K HN 0.468 nan 8.250 nan 0.000 0.443 332 Q N 1.880 121.538 119.800 -0.236 0.000 2.425 332 Q HA 0.176 4.532 4.340 0.027 0.000 0.204 332 Q C 0.444 176.345 176.000 -0.166 0.000 0.933 332 Q CA 0.498 56.212 55.803 -0.148 0.000 0.939 332 Q CB 1.236 29.916 28.738 -0.097 0.000 1.044 332 Q HN 0.878 nan 8.270 nan 0.000 0.513 333 G N 0.101 108.742 108.800 -0.266 0.000 2.315 333 G HA2 0.008 3.984 3.960 0.027 0.000 0.294 333 G HA3 0.008 3.984 3.960 0.027 0.000 0.294 333 G C -1.692 173.031 174.900 -0.294 0.000 1.300 333 G CA -0.994 43.981 45.100 -0.209 0.000 0.843 333 G HN 0.004 nan 8.290 nan 0.000 0.527 334 Q N 0.088 119.785 119.800 -0.171 0.000 2.244 334 Q HA 0.403 4.759 4.340 0.027 0.000 0.276 334 Q C 1.398 177.331 176.000 -0.110 0.000 1.122 334 Q CA 1.697 57.425 55.803 -0.126 0.000 0.920 334 Q CB -0.064 28.639 28.738 -0.060 0.000 1.186 334 Q HN 2.250 nan 8.270 nan 0.000 0.393 335 G N 3.443 112.179 108.800 -0.106 0.000 2.176 335 G HA2 -0.300 3.676 3.960 0.027 0.000 0.253 335 G HA3 -0.300 3.676 3.960 0.027 0.000 0.253 335 G C -0.087 174.826 174.900 0.022 0.000 0.979 335 G CA 0.219 45.364 45.100 0.076 0.000 0.641 335 G HN 0.586 nan 8.290 nan 0.000 0.530 336 Q N -0.675 118.948 119.800 -0.295 0.000 2.341 336 Q HA 0.597 4.953 4.340 0.027 0.000 0.268 336 Q C -1.042 174.737 176.000 -0.368 0.000 1.013 336 Q CA -0.743 54.962 55.803 -0.163 0.000 0.798 336 Q CB 1.094 29.771 28.738 -0.101 0.000 1.253 336 Q HN 0.396 nan 8.270 nan 0.000 0.457 337 W N 1.171 122.519 121.300 0.080 0.000 2.844 337 W HA 0.582 5.260 4.660 0.029 0.000 0.340 337 W C -0.325 176.242 176.519 0.081 0.000 1.093 337 W CA -0.734 56.660 57.345 0.082 0.000 1.212 337 W CB 1.609 31.134 29.460 0.107 0.000 1.422 337 W HN 0.412 nan 8.180 nan 0.000 0.515 338 T N -0.299 114.422 114.554 0.279 0.000 2.885 338 T HA 0.800 5.167 4.350 0.027 0.000 0.285 338 T C -1.266 173.567 174.700 0.221 0.000 1.019 338 T CA -0.765 61.420 62.100 0.142 0.000 1.010 338 T CB 1.647 70.528 68.868 0.021 0.000 1.022 338 T HN 0.478 nan 8.240 nan 0.000 0.466 339 Y N -0.171 120.137 120.300 0.012 0.000 2.544 339 Y HA 0.715 5.280 4.550 0.024 0.000 0.342 339 Y C -1.300 174.612 175.900 0.020 0.000 1.062 339 Y CA -1.317 56.804 58.100 0.036 0.000 1.023 339 Y CB 1.834 40.330 38.460 0.059 0.000 1.308 339 Y HN 0.774 nan 8.280 nan 0.000 0.457 340 Q N 4.061 123.915 119.800 0.089 0.000 2.263 340 Q HA 0.491 4.847 4.340 0.027 0.000 0.266 340 Q C -1.761 174.346 176.000 0.178 0.000 1.002 340 Q CA -0.630 55.202 55.803 0.047 0.000 0.790 340 Q CB 2.328 31.072 28.738 0.010 0.000 1.272 340 Q HN 0.944 nan 8.270 nan 0.000 0.435 341 I N 4.505 125.156 120.570 0.134 0.000 2.331 341 I HA 0.487 4.673 4.170 0.027 0.000 0.292 341 I C -0.593 175.499 176.117 -0.042 0.000 0.998 341 I CA -0.869 60.397 61.300 -0.056 0.000 1.267 341 I CB 0.361 38.338 38.000 -0.037 0.000 1.386 341 I HN 0.682 nan 8.210 nan 0.000 0.476 342 Y N 3.165 123.360 120.300 -0.176 0.000 2.689 342 Y HA 0.494 5.060 4.550 0.025 0.000 0.333 342 Y C -0.128 175.675 175.900 -0.162 0.000 1.190 342 Y CA -0.945 57.069 58.100 -0.144 0.000 1.063 342 Y CB 0.992 39.382 38.460 -0.117 0.000 1.294 342 Y HN 0.424 nan 8.280 nan 0.000 0.466 343 Q N 0.036 119.894 119.800 0.096 0.000 2.606 343 Q HA 0.255 4.611 4.340 0.027 0.000 0.215 343 Q C -0.698 175.403 176.000 0.168 0.000 0.908 343 Q CA 0.086 55.907 55.803 0.030 0.000 0.908 343 Q CB 0.932 29.687 28.738 0.028 0.000 1.120 343 Q HN 0.718 nan 8.270 nan 0.000 0.628 344 E N 2.179 122.487 120.200 0.178 0.000 2.191 344 E HA 0.290 4.656 4.350 0.027 0.000 0.278 344 E C -2.556 174.097 176.600 0.087 0.000 0.972 344 E CA -2.267 54.210 56.400 0.127 0.000 0.804 344 E CB 1.354 31.099 29.700 0.074 0.000 1.110 344 E HN -0.047 nan 8.360 nan 0.000 0.394 345 P HA -0.136 nan 4.420 nan 0.000 0.261 345 P C -0.453 176.760 177.300 -0.145 0.000 1.165 345 P CA 0.782 63.698 63.100 -0.307 0.000 0.759 345 P CB 0.090 31.725 31.700 -0.107 0.000 0.772 346 F N -0.147 119.536 119.950 -0.444 0.000 2.635 346 F HA -0.277 4.264 4.527 0.024 0.000 0.502 346 F C 0.938 176.619 175.800 -0.199 0.000 0.538 346 F CA 1.331 59.158 58.000 -0.289 0.000 1.064 346 F CB -1.524 37.357 39.000 -0.198 0.000 1.751 346 F HN 0.285 nan 8.300 nan 0.000 0.268 347 K N 2.046 122.448 120.400 0.004 0.000 2.142 347 K HA 0.221 4.557 4.320 0.027 0.000 0.250 347 K C -0.236 176.385 176.600 0.036 0.000 1.148 347 K CA -0.070 56.230 56.287 0.023 0.000 1.040 347 K CB -0.136 32.394 32.500 0.051 0.000 1.569 347 K HN 0.078 nan 8.250 nan 0.000 0.361 348 N N 2.368 121.059 118.700 -0.015 0.000 2.513 348 N HA 0.053 4.809 4.740 0.027 0.000 0.268 348 N C 0.774 176.339 175.510 0.091 0.000 1.180 348 N CA 0.069 53.140 53.050 0.035 0.000 0.948 348 N CB 0.943 39.401 38.487 -0.048 0.000 1.083 348 N HN 0.313 nan 8.380 nan 0.000 0.455 349 L N 1.171 122.519 121.223 0.208 0.000 2.130 349 L HA 0.168 4.524 4.340 0.027 0.000 0.200 349 L C 0.967 178.202 176.870 0.608 0.000 1.075 349 L CA 0.873 55.955 54.840 0.404 0.000 0.768 349 L CB 0.066 42.318 42.059 0.323 0.000 0.933 349 L HN 0.460 nan 8.230 nan 0.000 0.451 350 K N -0.572 120.100 120.400 0.454 0.000 2.527 350 K HA 0.402 4.738 4.320 0.027 0.000 0.260 350 K C -1.312 175.380 176.600 0.153 0.000 0.937 350 K CA -0.443 56.108 56.287 0.440 0.000 0.826 350 K CB 2.189 34.981 32.500 0.487 0.000 1.359 350 K HN 0.057 nan 8.250 nan 0.000 0.434 351 T N -1.027 113.514 114.554 -0.022 0.000 2.865 351 T HA 0.924 5.290 4.350 0.027 0.000 0.294 351 T C -0.061 174.284 174.700 -0.592 0.000 1.119 351 T CA -0.495 61.383 62.100 -0.369 0.000 1.007 351 T CB 2.000 70.703 68.868 -0.275 0.000 1.225 351 T HN 0.802 nan 8.240 nan 0.000 0.515 352 G N 0.049 108.254 108.800 -0.991 0.000 2.342 352 G HA2 0.600 4.576 3.960 0.027 0.000 0.297 352 G HA3 0.600 4.576 3.960 0.027 0.000 0.297 352 G C -2.201 172.327 174.900 -0.620 0.000 1.313 352 G CA -0.712 43.942 45.100 -0.743 0.000 0.830 352 G HN 1.055 nan 8.290 nan 0.000 0.506 353 K N -1.421 118.774 120.400 -0.340 0.000 2.556 353 K HA 0.701 5.037 4.320 0.027 0.000 0.274 353 K C -2.184 174.285 176.600 -0.218 0.000 0.966 353 K CA -1.081 55.106 56.287 -0.166 0.000 0.865 353 K CB 2.126 34.587 32.500 -0.065 0.000 1.444 353 K HN 0.464 nan 8.250 nan 0.000 0.433 354 Y N 0.208 120.658 120.300 0.250 0.000 2.361 354 Y HA 0.560 5.126 4.550 0.026 0.000 0.337 354 Y C -0.529 175.493 175.900 0.204 0.000 0.965 354 Y CA -0.819 57.401 58.100 0.200 0.000 1.091 354 Y CB 2.526 41.084 38.460 0.162 0.000 1.182 354 Y HN 0.837 nan 8.280 nan 0.000 0.450 355 A N 5.009 128.011 122.820 0.303 0.000 2.276 355 A HA 0.835 5.171 4.320 0.027 0.000 0.316 355 A C -0.223 177.473 177.584 0.186 0.000 1.229 355 A CA -0.843 51.316 52.037 0.203 0.000 0.851 355 A CB 0.473 19.551 19.000 0.130 0.000 1.165 355 A HN 0.642 nan 8.150 nan 0.000 0.513 356 R N 1.433 122.041 120.500 0.179 0.000 2.797 356 R HA 0.591 4.947 4.340 0.027 0.000 0.251 356 R C -0.615 175.745 176.300 0.101 0.000 1.107 356 R CA -0.803 55.383 56.100 0.143 0.000 1.084 356 R CB 1.115 31.523 30.300 0.179 0.000 1.205 356 R HN 0.815 nan 8.270 nan 0.000 0.515 357 M N 2.793 122.443 119.600 0.082 0.000 2.085 357 M HA 0.209 4.705 4.480 0.027 0.000 0.309 357 M C 1.304 177.643 176.300 0.065 0.000 0.947 357 M CA -0.517 54.820 55.300 0.062 0.000 0.918 357 M CB 1.236 33.865 32.600 0.049 0.000 1.504 357 M HN 0.556 nan 8.290 nan 0.000 0.420 358 R N 3.421 123.959 120.500 0.064 0.000 2.208 358 R HA -0.120 4.236 4.340 0.027 0.000 0.262 358 R C 0.827 177.169 176.300 0.069 0.000 1.166 358 R CA 1.405 57.549 56.100 0.073 0.000 0.987 358 R CB -1.653 28.682 30.300 0.059 0.000 0.887 358 R HN 0.930 nan 8.270 nan 0.000 0.459 359 G N 0.109 108.935 108.800 0.044 0.000 2.692 359 G HA2 -0.290 3.686 3.960 0.027 0.000 0.248 359 G HA3 -0.290 3.686 3.960 0.027 0.000 0.248 359 G C 0.900 175.795 174.900 -0.007 0.000 1.340 359 G CA 1.341 46.453 45.100 0.019 0.000 0.896 359 G HN 0.593 nan 8.290 nan 0.000 0.570 360 A N -0.638 122.124 122.820 -0.097 0.000 1.917 360 A HA 0.303 4.639 4.320 0.027 0.000 0.219 360 A C 1.081 178.542 177.584 -0.204 0.000 1.182 360 A CA 3.125 55.020 52.037 -0.235 0.000 0.633 360 A CB -0.580 18.117 19.000 -0.506 0.000 0.819 360 A HN 2.587 nan 8.150 nan 0.000 0.448 361 H N -4.331 114.820 119.070 0.136 0.000 3.179 361 H HA 0.544 5.116 4.556 0.026 0.000 0.301 361 H C -0.813 174.620 175.328 0.176 0.000 1.382 361 H CA -0.483 55.661 56.048 0.159 0.000 1.605 361 H CB -0.486 29.380 29.762 0.174 0.000 2.343 361 H HN 0.043 nan 8.280 nan 0.000 0.372 362 T N 1.986 116.723 114.554 0.305 0.000 2.804 362 T HA 0.663 5.029 4.350 0.027 0.000 0.290 362 T C -0.540 174.289 174.700 0.215 0.000 1.099 362 T CA -0.931 61.323 62.100 0.256 0.000 1.011 362 T CB 1.851 70.832 68.868 0.188 0.000 1.291 362 T HN 0.903 nan 8.240 nan 0.000 0.523 363 N N -1.183 117.613 118.700 0.160 0.000 2.416 363 N HA 0.384 5.140 4.740 0.027 0.000 0.276 363 N C -0.195 175.358 175.510 0.071 0.000 1.261 363 N CA -0.724 52.402 53.050 0.127 0.000 0.790 363 N CB 1.004 39.543 38.487 0.088 0.000 1.554 363 N HN 0.285 nan 8.380 nan 0.000 0.481 364 D N 0.376 120.864 120.400 0.147 0.000 2.106 364 D HA -0.154 4.502 4.640 0.027 0.000 0.191 364 D C 1.722 178.019 176.300 -0.004 0.000 0.997 364 D CA 1.546 55.691 54.000 0.242 0.000 0.834 364 D CB -0.313 40.670 40.800 0.305 0.000 0.956 364 D HN 0.377 nan 8.370 nan 0.000 0.448 365 V N 1.198 120.932 119.914 -0.300 0.000 2.282 365 V HA -0.301 3.835 4.120 0.027 0.000 0.249 365 V C 2.425 178.071 176.094 -0.747 0.000 1.057 365 V CA 1.962 63.885 62.300 -0.629 0.000 1.032 365 V CB -0.566 30.575 31.823 -1.137 0.000 0.645 365 V HN 0.117 nan 8.190 nan 0.000 0.447 366 K N 0.505 120.457 120.400 -0.746 0.000 2.032 366 K HA -0.225 4.111 4.320 0.027 0.000 0.209 366 K C 2.174 178.598 176.600 -0.293 0.000 1.048 366 K CA 1.828 57.853 56.287 -0.437 0.000 0.927 366 K CB -0.512 31.905 32.500 -0.139 0.000 0.712 366 K HN 0.580 nan 8.250 nan 0.000 0.441 367 Q N -0.001 119.661 119.800 -0.231 0.000 2.124 367 Q HA -0.137 4.219 4.340 0.027 0.000 0.202 367 Q C 2.143 177.715 176.000 -0.713 0.000 0.977 367 Q CA 1.381 57.022 55.803 -0.271 0.000 0.850 367 Q CB -0.236 28.552 28.738 0.083 0.000 0.901 367 Q HN 0.360 nan 8.270 nan 0.000 0.429 368 L N 0.543 121.234 121.223 -0.886 0.000 1.989 368 L HA -0.223 4.133 4.340 0.027 0.000 0.211 368 L C 2.134 178.541 176.870 -0.773 0.000 1.071 368 L CA 1.657 55.837 54.840 -1.100 0.000 0.749 368 L CB -0.599 40.990 42.059 -0.783 0.000 0.890 368 L HN 0.306 nan 8.230 nan 0.000 0.431 369 T N -0.337 113.872 114.554 -0.575 0.000 2.665 369 T HA -0.249 4.117 4.350 0.027 0.000 0.268 369 T C 1.607 176.056 174.700 -0.418 0.000 1.035 369 T CA 1.818 63.647 62.100 -0.452 0.000 1.151 369 T CB -0.276 68.485 68.868 -0.179 0.000 0.862 369 T HN 0.460 nan 8.240 nan 0.000 0.438 370 E N 0.872 120.853 120.200 -0.365 0.000 2.204 370 E HA -0.075 4.291 4.350 0.027 0.000 0.195 370 E C 2.486 178.837 176.600 -0.414 0.000 0.990 370 E CA 0.893 57.102 56.400 -0.317 0.000 0.821 370 E CB -0.190 29.365 29.700 -0.242 0.000 0.750 370 E HN 0.523 nan 8.360 nan 0.000 0.477 371 A N 1.008 123.515 122.820 -0.522 0.000 1.840 371 A HA -0.104 4.232 4.320 0.027 0.000 0.214 371 A C 2.533 179.849 177.584 -0.447 0.000 1.198 371 A CA 0.917 52.665 52.037 -0.482 0.000 0.608 371 A CB -0.763 17.910 19.000 -0.544 0.000 0.839 371 A HN 0.097 nan 8.150 nan 0.000 0.443 372 V N 0.902 120.464 119.914 -0.588 0.000 2.277 372 V HA -0.384 3.752 4.120 0.027 0.000 0.253 372 V C 2.855 178.637 176.094 -0.519 0.000 1.067 372 V CA 2.742 64.570 62.300 -0.786 0.000 1.047 372 V CB -1.021 30.136 31.823 -1.110 0.000 0.649 372 V HN 0.838 nan 8.190 nan 0.000 0.447 373 Q N 1.004 120.550 119.800 -0.423 0.000 2.002 373 Q HA -0.236 4.120 4.340 0.027 0.000 0.204 373 Q C 2.107 177.985 176.000 -0.203 0.000 0.988 373 Q CA 2.178 57.819 55.803 -0.270 0.000 0.843 373 Q CB -0.514 28.089 28.738 -0.226 0.000 0.908 373 Q HN 0.597 nan 8.270 nan 0.000 0.420 374 K N 0.057 120.294 120.400 -0.272 0.000 2.020 374 K HA -0.144 4.192 4.320 0.027 0.000 0.212 374 K C 2.280 178.802 176.600 -0.129 0.000 1.050 374 K CA 1.818 57.950 56.287 -0.258 0.000 0.929 374 K CB -0.452 31.710 32.500 -0.564 0.000 0.714 374 K HN 0.317 nan 8.250 nan 0.000 0.443 375 I N 1.098 121.587 120.570 -0.135 0.000 2.151 375 I HA -0.320 3.866 4.170 0.027 0.000 0.243 375 I C 2.351 178.503 176.117 0.058 0.000 1.080 375 I CA 1.452 62.702 61.300 -0.082 0.000 1.339 375 I CB -0.740 37.211 38.000 -0.083 0.000 1.039 375 I HN 0.238 nan 8.210 nan 0.000 0.409 376 T N 0.253 114.871 114.554 0.106 0.000 2.635 376 T HA -0.209 4.157 4.350 0.027 0.000 0.267 376 T C 1.900 176.634 174.700 0.058 0.000 1.040 376 T CA 2.310 64.485 62.100 0.124 0.000 1.156 376 T CB -0.503 68.412 68.868 0.079 0.000 0.863 376 T HN 0.406 nan 8.240 nan 0.000 0.430 377 T N 1.528 116.090 114.554 0.014 0.000 2.665 377 T HA -0.163 4.203 4.350 0.027 0.000 0.268 377 T C 1.893 176.596 174.700 0.005 0.000 1.035 377 T CA 1.644 63.747 62.100 0.005 0.000 1.151 377 T CB -0.370 68.486 68.868 -0.019 0.000 0.862 377 T HN 0.546 nan 8.240 nan 0.000 0.438 378 E N 0.665 120.870 120.200 0.008 0.000 2.058 378 E HA -0.165 4.201 4.350 0.027 0.000 0.194 378 E C 2.366 178.950 176.600 -0.027 0.000 0.997 378 E CA 1.455 57.850 56.400 -0.008 0.000 0.801 378 E CB -0.081 29.642 29.700 0.038 0.000 0.746 378 E HN 0.405 nan 8.360 nan 0.000 0.450 379 S N 0.624 116.383 115.700 0.099 0.000 2.348 379 S HA -0.165 4.321 4.470 0.027 0.000 0.221 379 S C 2.007 176.680 174.600 0.122 0.000 1.033 379 S CA 1.250 59.606 58.200 0.259 0.000 1.010 379 S CB -0.303 63.059 63.200 0.269 0.000 0.891 379 S HN 0.304 nan 8.310 nan 0.000 0.442 380 I N 1.337 121.947 120.570 0.067 0.000 2.208 380 I HA -0.170 4.016 4.170 0.027 0.000 0.245 380 I C 2.114 178.224 176.117 -0.012 0.000 1.097 380 I CA 1.026 62.351 61.300 0.041 0.000 1.363 380 I CB -0.433 37.591 38.000 0.040 0.000 1.051 380 I HN 0.164 nan 8.210 nan 0.000 0.413 381 V N 0.782 120.664 119.914 -0.052 0.000 2.548 381 V HA -0.217 3.919 4.120 0.027 0.000 0.249 381 V C 2.100 178.090 176.094 -0.173 0.000 1.055 381 V CA 1.559 63.808 62.300 -0.086 0.000 1.065 381 V CB -0.238 31.538 31.823 -0.078 0.000 0.681 381 V HN 0.311 nan 8.190 nan 0.000 0.462 382 I N -1.506 118.870 120.570 -0.324 0.000 2.405 382 I HA -0.090 4.096 4.170 0.027 0.000 0.236 382 I C 1.945 177.704 176.117 -0.596 0.000 1.071 382 I CA 1.270 62.188 61.300 -0.637 0.000 1.398 382 I CB -0.259 36.948 38.000 -1.322 0.000 1.162 382 I HN 0.336 nan 8.210 nan 0.000 0.432 383 W N 1.275 122.479 121.300 -0.160 0.000 3.388 383 W HA 0.306 4.983 4.660 0.027 0.000 0.324 383 W C 1.375 177.830 176.519 -0.107 0.000 1.250 383 W CA 0.562 57.750 57.345 -0.260 0.000 1.809 383 W CB -0.795 28.311 29.460 -0.589 0.000 1.083 383 W HN 0.451 nan 8.180 nan 0.000 0.685 384 G N 2.330 111.174 108.800 0.073 0.000 2.212 384 G HA2 -0.342 3.634 3.960 0.027 0.000 0.267 384 G HA3 -0.342 3.634 3.960 0.027 0.000 0.267 384 G C 0.295 175.253 174.900 0.096 0.000 1.002 384 G CA 1.292 46.438 45.100 0.076 0.000 0.729 384 G HN 0.431 nan 8.290 nan 0.000 0.517 385 K N -1.518 118.952 120.400 0.115 0.000 2.533 385 K HA 0.705 5.041 4.320 0.027 0.000 0.272 385 K C -0.422 176.218 176.600 0.065 0.000 0.985 385 K CA -0.469 55.870 56.287 0.086 0.000 0.876 385 K CB 1.055 33.606 32.500 0.084 0.000 1.452 385 K HN 0.348 nan 8.250 nan 0.000 0.439 386 T N -0.225 114.347 114.554 0.031 0.000 2.799 386 T HA 0.431 4.797 4.350 0.027 0.000 0.286 386 T C -1.971 172.654 174.700 -0.124 0.000 0.973 386 T CA -1.517 60.580 62.100 -0.006 0.000 1.035 386 T CB 0.867 69.761 68.868 0.045 0.000 0.932 386 T HN 0.475 nan 8.240 nan 0.000 0.469 387 P HA 0.301 nan 4.420 nan 0.000 0.276 387 P C -0.780 176.160 177.300 -0.599 0.000 1.252 387 P CA -0.813 61.993 63.100 -0.490 0.000 0.802 387 P CB 0.909 32.211 31.700 -0.663 0.000 1.035 388 K N 1.159 121.273 120.400 -0.476 0.000 2.205 388 K HA 0.405 4.741 4.320 0.027 0.000 0.279 388 K C -0.315 176.026 176.600 -0.431 0.000 1.027 388 K CA -0.248 55.854 56.287 -0.309 0.000 0.932 388 K CB 0.376 32.763 32.500 -0.188 0.000 1.032 388 K HN 0.310 nan 8.250 nan 0.000 0.466 389 F N 1.621 121.526 119.950 -0.075 0.000 2.422 389 F HA 0.285 4.827 4.527 0.024 0.000 0.333 389 F C 0.631 176.443 175.800 0.020 0.000 1.095 389 F CA -0.667 57.299 58.000 -0.057 0.000 1.038 389 F CB 1.224 40.168 39.000 -0.093 0.000 1.156 389 F HN 0.090 nan 8.300 nan 0.000 0.483 390 K N 5.180 125.701 120.400 0.203 0.000 2.464 390 K HA 0.495 4.831 4.320 0.027 0.000 0.252 390 K C -1.176 175.520 176.600 0.161 0.000 1.000 390 K CA -0.217 56.160 56.287 0.149 0.000 0.951 390 K CB 1.398 33.937 32.500 0.065 0.000 1.183 390 K HN 0.579 nan 8.250 nan 0.000 0.445 391 L N 3.989 125.338 121.223 0.210 0.000 2.346 391 L HA 0.479 4.835 4.340 0.027 0.000 0.274 391 L C -1.955 175.027 176.870 0.187 0.000 1.007 391 L CA -2.150 52.752 54.840 0.103 0.000 0.818 391 L CB 2.218 44.184 42.059 -0.154 0.000 1.284 391 L HN 0.231 nan 8.230 nan 0.000 0.424 392 P HA 0.222 nan 4.420 nan 0.000 0.220 392 P C -0.694 176.773 177.300 0.278 0.000 1.806 392 P CA 0.352 63.585 63.100 0.221 0.000 0.976 392 P CB 0.343 32.130 31.700 0.145 0.000 1.952 393 I N -0.305 120.501 120.570 0.394 0.000 2.775 393 I HA 0.229 4.415 4.170 0.027 0.000 0.295 393 I C -1.026 175.132 176.117 0.070 0.000 1.287 393 I CA -0.886 60.500 61.300 0.144 0.000 1.029 393 I CB 2.665 40.617 38.000 -0.079 0.000 1.282 393 I HN -0.177 nan 8.210 nan 0.000 0.426 394 Q N 5.387 125.096 119.800 -0.152 0.000 2.332 394 Q HA 0.116 4.472 4.340 0.027 0.000 0.263 394 Q C 0.674 176.748 176.000 0.123 0.000 0.979 394 Q CA -0.075 55.559 55.803 -0.283 0.000 0.885 394 Q CB 1.534 30.129 28.738 -0.240 0.000 1.218 394 Q HN 0.696 nan 8.270 nan 0.000 0.405 395 K N 1.310 121.820 120.400 0.183 0.000 2.147 395 K HA -0.199 4.137 4.320 0.027 0.000 0.205 395 K C 0.961 177.767 176.600 0.343 0.000 1.049 395 K CA 1.542 58.071 56.287 0.403 0.000 0.936 395 K CB 0.098 32.678 32.500 0.133 0.000 0.722 395 K HN 0.321 nan 8.250 nan 0.000 0.446 396 E N 1.091 121.390 120.200 0.165 0.000 2.051 396 E HA -0.105 4.261 4.350 0.027 0.000 0.192 396 E C 2.095 178.791 176.600 0.160 0.000 0.991 396 E CA 1.948 58.430 56.400 0.136 0.000 0.799 396 E CB -0.561 29.170 29.700 0.052 0.000 0.748 396 E HN 0.338 nan 8.360 nan 0.000 0.449 397 T N 0.831 115.462 114.554 0.128 0.000 2.635 397 T HA -0.227 4.139 4.350 0.027 0.000 0.267 397 T C 1.329 176.165 174.700 0.226 0.000 1.040 397 T CA 1.427 63.594 62.100 0.111 0.000 1.156 397 T CB -0.532 68.356 68.868 0.034 0.000 0.863 397 T HN 0.412 nan 8.240 nan 0.000 0.430 398 W N 2.255 123.640 121.300 0.142 0.000 2.332 398 W HA -0.190 4.484 4.660 0.023 0.000 0.321 398 W C 2.096 178.924 176.519 0.515 0.000 1.219 398 W CA 1.446 58.936 57.345 0.242 0.000 1.277 398 W CB -0.275 29.297 29.460 0.186 0.000 1.161 398 W HN 0.227 nan 8.180 nan 0.000 0.476 399 E N 0.066 120.532 120.200 0.443 0.000 2.035 399 E HA -0.253 4.113 4.350 0.027 0.000 0.204 399 E C 1.935 178.566 176.600 0.052 0.000 1.025 399 E CA 2.847 59.463 56.400 0.359 0.000 0.835 399 E CB -1.148 28.736 29.700 0.307 0.000 0.764 399 E HN 0.264 nan 8.360 nan 0.000 0.457 400 T N 0.428 115.024 114.554 0.069 0.000 2.721 400 T HA -0.214 4.152 4.350 0.027 0.000 0.268 400 T C 1.388 176.075 174.700 -0.022 0.000 1.038 400 T CA 1.697 63.798 62.100 0.002 0.000 1.145 400 T CB -0.422 68.472 68.868 0.043 0.000 0.858 400 T HN 0.345 nan 8.240 nan 0.000 0.459 401 W N 1.735 122.934 121.300 -0.169 0.000 2.423 401 W HA -0.026 4.653 4.660 0.032 0.000 0.321 401 W C 2.347 178.704 176.519 -0.270 0.000 1.180 401 W CA 1.111 58.325 57.345 -0.217 0.000 1.322 401 W CB -0.704 28.610 29.460 -0.244 0.000 1.174 401 W HN 0.420 nan 8.180 nan 0.000 0.470 402 W N 1.848 122.774 121.300 -0.622 0.000 2.350 402 W HA -0.188 4.487 4.660 0.025 0.000 0.289 402 W C 1.701 177.925 176.519 -0.492 0.000 1.215 402 W CA 2.648 59.504 57.345 -0.815 0.000 1.236 402 W CB -1.964 26.910 29.460 -0.975 0.000 1.130 402 W HN 0.123 nan 8.180 nan 0.000 0.541 403 T N -1.002 112.847 114.554 -1.173 0.000 2.977 403 T HA -0.146 4.220 4.350 0.027 0.000 0.271 403 T C 1.258 175.616 174.700 -0.570 0.000 1.105 403 T CA 1.694 63.171 62.100 -1.038 0.000 1.116 403 T CB -0.384 68.022 68.868 -0.771 0.000 0.878 403 T HN 0.414 nan 8.240 nan 0.000 0.509 404 E N -1.066 118.855 120.200 -0.465 0.000 2.539 404 E HA 0.198 4.564 4.350 0.027 0.000 0.215 404 E C -0.513 175.915 176.600 -0.288 0.000 0.965 404 E CA -0.576 55.637 56.400 -0.312 0.000 1.019 404 E CB 0.325 29.894 29.700 -0.219 0.000 1.059 404 E HN 0.487 nan 8.360 nan 0.000 0.496 405 Y N 2.301 122.220 120.300 -0.634 0.000 2.497 405 Y HA -0.128 4.440 4.550 0.029 0.000 0.334 405 Y C 1.182 176.829 175.900 -0.421 0.000 1.199 405 Y CA -0.766 56.927 58.100 -0.679 0.000 1.425 405 Y CB 0.407 38.137 38.460 -1.217 0.000 1.291 405 Y HN 0.164 nan 8.280 nan 0.000 0.562 406 W N 3.873 124.692 121.300 -0.802 0.000 2.425 406 W HA -0.065 4.611 4.660 0.026 0.000 0.277 406 W C -0.292 175.897 176.519 -0.549 0.000 1.231 406 W CA 0.491 57.477 57.345 -0.599 0.000 1.248 406 W CB -0.363 28.777 29.460 -0.533 0.000 1.117 406 W HN 0.549 nan 8.180 nan 0.000 0.568 407 Q N 1.249 119.973 119.800 -1.794 0.000 2.235 407 Q HA 0.534 4.890 4.340 0.027 0.000 0.256 407 Q C -0.355 175.355 176.000 -0.484 0.000 0.951 407 Q CA -0.485 54.553 55.803 -1.275 0.000 0.890 407 Q CB 1.970 29.573 28.738 -1.891 0.000 1.279 407 Q HN 0.037 nan 8.270 nan 0.000 0.444 408 A N 2.448 125.127 122.820 -0.235 0.000 2.440 408 A HA 0.453 4.789 4.320 0.027 0.000 0.251 408 A C -0.178 177.441 177.584 0.059 0.000 1.089 408 A CA 0.268 52.284 52.037 -0.034 0.000 0.779 408 A CB 0.839 19.838 19.000 -0.001 0.000 1.022 408 A HN 0.674 nan 8.150 nan 0.000 0.492 409 T N 1.050 115.720 114.554 0.193 0.000 2.821 409 T HA 0.590 4.956 4.350 0.027 0.000 0.306 409 T C -2.168 172.786 174.700 0.423 0.000 1.313 409 T CA -0.264 62.003 62.100 0.278 0.000 1.012 409 T CB 0.960 70.017 68.868 0.314 0.000 1.298 409 T HN 1.230 nan 8.240 nan 0.000 0.502 410 W N 3.508 124.893 121.300 0.141 0.000 3.571 410 W HA 0.687 5.364 4.660 0.029 0.000 0.294 410 W C -2.642 173.808 176.519 -0.114 0.000 1.257 410 W CA -0.922 56.449 57.345 0.043 0.000 1.206 410 W CB 0.888 30.335 29.460 -0.022 0.000 1.325 410 W HN 0.653 nan 8.180 nan 0.000 0.546 411 I N 6.892 126.813 120.570 -1.082 0.000 2.418 411 I HA 0.292 4.478 4.170 0.027 0.000 0.287 411 I C -1.859 173.315 176.117 -1.571 0.000 1.008 411 I CA -2.082 58.403 61.300 -1.359 0.000 1.104 411 I CB 1.939 39.025 38.000 -1.524 0.000 1.264 411 I HN 0.103 nan 8.210 nan 0.000 0.438 412 P HA -0.109 nan 4.420 nan 0.000 0.271 412 P C -0.177 177.022 177.300 -0.169 0.000 1.233 412 P CA -0.204 62.358 63.100 -0.896 0.000 0.795 412 P CB 0.413 31.849 31.700 -0.440 0.000 0.936 413 E N 2.047 122.282 120.200 0.060 0.000 2.729 413 E HA -0.089 4.277 4.350 0.027 0.000 0.246 413 E C -0.749 175.937 176.600 0.143 0.000 0.984 413 E CA 0.530 56.978 56.400 0.081 0.000 0.951 413 E CB 0.004 29.738 29.700 0.057 0.000 0.914 413 E HN 0.365 nan 8.360 nan 0.000 0.509 414 W N 3.519 124.760 121.300 -0.100 0.000 3.017 414 W HA 0.692 5.364 4.660 0.021 0.000 0.341 414 W C -0.937 175.557 176.519 -0.042 0.000 1.180 414 W CA -1.240 56.066 57.345 -0.065 0.000 1.097 414 W CB 0.486 29.845 29.460 -0.168 0.000 1.468 414 W HN 0.458 nan 8.180 nan 0.000 0.584 415 E N 0.818 121.086 120.200 0.113 0.000 2.308 415 E HA 0.365 4.731 4.350 0.027 0.000 0.275 415 E C -1.866 174.880 176.600 0.242 0.000 0.890 415 E CA -0.841 55.535 56.400 -0.041 0.000 0.754 415 E CB 2.635 32.317 29.700 -0.030 0.000 1.207 415 E HN 0.259 nan 8.360 nan 0.000 0.426 416 F N 4.556 124.529 119.950 0.039 0.000 2.495 416 F HA 0.342 4.875 4.527 0.010 0.000 0.365 416 F C -0.947 174.917 175.800 0.107 0.000 1.090 416 F CA -0.247 57.866 58.000 0.188 0.000 1.235 416 F CB 1.082 40.166 39.000 0.140 0.000 1.119 416 F HN 0.146 nan 8.300 nan 0.000 0.562 417 V N 7.615 127.154 119.914 -0.625 0.000 2.376 417 V HA 0.290 4.426 4.120 0.027 0.000 0.287 417 V C -0.542 174.990 176.094 -0.937 0.000 1.015 417 V CA -0.809 61.122 62.300 -0.615 0.000 0.834 417 V CB 0.950 32.646 31.823 -0.211 0.000 1.001 417 V HN 0.812 nan 8.190 nan 0.000 0.428 418 N N 4.607 122.712 118.700 -0.993 0.000 2.670 418 N HA 0.072 4.828 4.740 0.027 0.000 0.296 418 N C -0.266 175.131 175.510 -0.190 0.000 1.216 418 N CA 0.601 53.328 53.050 -0.538 0.000 1.123 418 N CB -0.016 38.349 38.487 -0.205 0.000 1.459 418 N HN 0.738 nan 8.380 nan 0.000 0.509 419 T N 3.765 118.243 114.554 -0.127 0.000 2.934 419 T HA 0.368 4.734 4.350 0.027 0.000 0.328 419 T C -2.788 171.917 174.700 0.008 0.000 1.068 419 T CA -1.811 60.261 62.100 -0.048 0.000 1.018 419 T CB 0.715 69.549 68.868 -0.056 0.000 1.009 419 T HN 0.244 nan 8.240 nan 0.000 0.471 420 P HA 0.287 nan 4.420 nan 0.000 0.269 420 P C -2.551 174.759 177.300 0.017 0.000 1.215 420 P CA -1.100 62.019 63.100 0.032 0.000 0.780 420 P CB -0.149 31.568 31.700 0.030 0.000 0.898 421 P HA 0.292 nan 4.420 nan 0.000 0.286 421 P C -0.347 176.970 177.300 0.030 0.000 1.269 421 P CA -0.213 62.898 63.100 0.019 0.000 0.787 421 P CB 0.865 32.572 31.700 0.013 0.000 0.920 422 L N 3.127 124.375 121.223 0.041 0.000 2.397 422 L HA 0.239 4.595 4.340 0.027 0.000 0.271 422 L C 1.001 177.860 176.870 -0.019 0.000 1.148 422 L CA -1.094 53.786 54.840 0.067 0.000 0.825 422 L CB 1.070 43.197 42.059 0.114 0.000 1.117 422 L HN 0.265 nan 8.230 nan 0.000 0.456 423 V N 0.956 120.874 119.914 0.007 0.000 2.488 423 V HA 0.490 4.626 4.120 0.027 0.000 0.277 423 V C -0.266 175.723 176.094 -0.175 0.000 1.046 423 V CA -0.467 61.797 62.300 -0.061 0.000 0.986 423 V CB 0.744 32.619 31.823 0.087 0.000 0.989 423 V HN 0.872 nan 8.190 nan 0.000 0.475 424 K N 4.532 124.706 120.400 -0.377 0.000 2.482 424 K HA 0.680 5.016 4.320 0.027 0.000 0.257 424 K C -1.036 175.241 176.600 -0.539 0.000 0.969 424 K CA -1.030 55.022 56.287 -0.392 0.000 0.842 424 K CB 1.455 33.745 32.500 -0.351 0.000 1.359 424 K HN 0.592 nan 8.250 nan 0.000 0.441 425 L N 2.848 123.880 121.223 -0.320 0.000 2.456 425 L HA 0.149 4.505 4.340 0.027 0.000 0.277 425 L C 0.322 177.083 176.870 -0.182 0.000 1.124 425 L CA -0.288 54.417 54.840 -0.226 0.000 0.880 425 L CB -0.084 41.913 42.059 -0.103 0.000 1.192 425 L HN 0.654 nan 8.230 nan 0.000 0.463 426 W N 3.289 124.604 121.300 0.025 0.000 2.392 426 W HA -0.135 4.538 4.660 0.022 0.000 0.279 426 W C 0.527 177.178 176.519 0.220 0.000 1.225 426 W CA 0.368 57.787 57.345 0.123 0.000 1.233 426 W CB -0.254 29.315 29.460 0.182 0.000 1.122 426 W HN 0.531 nan 8.180 nan 0.000 0.561 427 Y N -2.869 117.575 120.300 0.240 0.000 2.624 427 Y HA 0.551 5.116 4.550 0.024 0.000 0.334 427 Y C -1.209 174.771 175.900 0.133 0.000 1.155 427 Y CA -2.167 56.031 58.100 0.163 0.000 1.046 427 Y CB 0.528 39.082 38.460 0.157 0.000 1.316 427 Y HN -0.173 nan 8.280 nan 0.000 0.457 428 Q N 3.124 123.050 119.800 0.211 0.000 2.263 428 Q HA 0.479 4.835 4.340 0.027 0.000 0.266 428 Q C -1.400 174.728 176.000 0.213 0.000 1.002 428 Q CA -0.834 55.031 55.803 0.104 0.000 0.790 428 Q CB 3.084 31.862 28.738 0.067 0.000 1.272 428 Q HN 0.760 nan 8.270 nan 0.000 0.435 429 L N 2.213 123.566 121.223 0.217 0.000 2.456 429 L HA 0.121 4.477 4.340 0.027 0.000 0.272 429 L C 0.686 177.660 176.870 0.174 0.000 1.189 429 L CA -0.208 54.758 54.840 0.211 0.000 0.846 429 L CB 0.277 42.444 42.059 0.179 0.000 1.111 429 L HN 0.403 nan 8.230 nan 0.000 0.475 430 E N 2.357 122.685 120.200 0.213 0.000 2.383 430 E HA 0.038 4.404 4.350 0.027 0.000 0.264 430 E C 0.281 177.053 176.600 0.287 0.000 1.050 430 E CA -0.014 56.514 56.400 0.215 0.000 0.896 430 E CB 0.790 30.613 29.700 0.206 0.000 0.982 430 E HN 0.392 nan 8.360 nan 0.000 0.424 431 K N 1.060 121.557 120.400 0.161 0.000 2.459 431 K HA -0.023 4.313 4.320 0.027 0.000 0.193 431 K C 0.368 177.029 176.600 0.103 0.000 1.030 431 K CA 0.479 56.855 56.287 0.149 0.000 1.026 431 K CB 0.273 32.812 32.500 0.064 0.000 0.809 431 K HN 0.537 nan 8.250 nan 0.000 0.504 432 E N -0.491 119.651 120.200 -0.096 0.000 2.407 432 E HA 0.299 4.665 4.350 0.027 0.000 0.279 432 E C -3.126 172.949 176.600 -0.875 0.000 1.012 432 E CA -2.609 53.502 56.400 -0.482 0.000 0.800 432 E CB 1.250 30.816 29.700 -0.223 0.000 1.276 432 E HN -0.306 nan 8.360 nan 0.000 0.452 433 P HA 0.047 nan 4.420 nan 0.000 0.265 433 P C -0.620 176.522 177.300 -0.262 0.000 1.187 433 P CA 0.277 62.976 63.100 -0.668 0.000 0.766 433 P CB 0.316 31.787 31.700 -0.382 0.000 0.820 434 I N 2.619 123.123 120.570 -0.111 0.000 2.416 434 I HA 0.072 4.258 4.170 0.027 0.000 0.288 434 I C 0.287 176.391 176.117 -0.022 0.000 1.051 434 I CA -0.651 60.626 61.300 -0.037 0.000 1.375 434 I CB 0.608 38.619 38.000 0.019 0.000 1.407 434 I HN 0.029 nan 8.210 nan 0.000 0.516 435 V N 5.760 125.660 119.914 -0.023 0.000 2.637 435 V HA 0.258 4.394 4.120 0.027 0.000 0.296 435 V C 1.216 177.313 176.094 0.006 0.000 1.046 435 V CA 0.282 62.575 62.300 -0.011 0.000 1.066 435 V CB 0.612 32.427 31.823 -0.013 0.000 0.968 435 V HN 1.142 nan 8.190 nan 0.000 0.483 436 G N 3.222 112.029 108.800 0.012 0.000 2.221 436 G HA2 0.049 4.025 3.960 0.027 0.000 0.265 436 G HA3 0.049 4.025 3.960 0.027 0.000 0.265 436 G C 0.091 175.009 174.900 0.030 0.000 1.041 436 G CA 0.275 45.387 45.100 0.019 0.000 0.807 436 G HN 1.588 nan 8.290 nan 0.000 0.502 437 A N -0.867 121.976 122.820 0.039 0.000 2.413 437 A HA 0.836 5.172 4.320 0.027 0.000 0.307 437 A C 0.073 177.705 177.584 0.080 0.000 1.087 437 A CA -0.057 52.016 52.037 0.060 0.000 0.750 437 A CB 1.219 20.257 19.000 0.062 0.000 1.296 437 A HN 0.581 nan 8.150 nan 0.000 0.423 438 E N 0.260 120.527 120.200 0.113 0.000 2.398 438 E HA 0.331 4.697 4.350 0.027 0.000 0.263 438 E C -0.730 175.980 176.600 0.184 0.000 1.046 438 E CA 0.305 56.780 56.400 0.125 0.000 0.908 438 E CB 0.506 30.316 29.700 0.183 0.000 0.963 438 E HN 0.506 nan 8.360 nan 0.000 0.431 439 T N 4.658 119.277 114.554 0.109 0.000 2.791 439 T HA 0.319 4.685 4.350 0.027 0.000 0.288 439 T C -1.050 173.715 174.700 0.108 0.000 0.999 439 T CA -0.453 61.730 62.100 0.138 0.000 0.952 439 T CB 0.053 68.986 68.868 0.109 0.000 0.938 439 T HN 0.229 nan 8.240 nan 0.000 0.444 440 F N 2.850 122.782 119.950 -0.030 0.000 2.371 440 F HA 0.365 4.909 4.527 0.028 0.000 0.363 440 F C -0.006 175.782 175.800 -0.021 0.000 1.122 440 F CA -1.292 56.710 58.000 0.005 0.000 1.129 440 F CB 0.436 39.357 39.000 -0.131 0.000 1.173 440 F HN 0.541 nan 8.300 nan 0.000 0.489 441 Y N 3.609 124.006 120.300 0.161 0.000 2.600 441 Y HA 0.358 4.924 4.550 0.027 0.000 0.351 441 Y C 0.383 176.373 175.900 0.151 0.000 1.042 441 Y CA -0.834 57.333 58.100 0.111 0.000 1.333 441 Y CB 0.236 38.727 38.460 0.052 0.000 1.172 441 Y HN 0.366 nan 8.280 nan 0.000 0.517 442 V N -0.029 120.009 119.914 0.208 0.000 2.743 442 V HA 0.755 4.891 4.120 0.027 0.000 0.301 442 V C -0.472 175.699 176.094 0.129 0.000 1.057 442 V CA -0.520 61.898 62.300 0.197 0.000 1.006 442 V CB 1.961 33.870 31.823 0.144 0.000 1.024 442 V HN 0.592 nan 8.190 nan 0.000 0.473 443 D N 0.830 121.302 120.400 0.119 0.000 2.685 443 D HA 0.706 5.362 4.640 0.027 0.000 0.236 443 D C -0.558 175.780 176.300 0.064 0.000 1.233 443 D CA 0.522 54.563 54.000 0.068 0.000 0.760 443 D CB 1.906 42.734 40.800 0.047 0.000 1.410 443 D HN 1.211 nan 8.370 nan 0.000 0.439 444 G N 0.018 108.844 108.800 0.043 0.000 2.742 444 G HA2 0.847 4.824 3.960 0.027 0.000 0.296 444 G HA3 0.847 4.824 3.960 0.027 0.000 0.296 444 G C -1.665 173.252 174.900 0.028 0.000 1.436 444 G CA -0.169 44.956 45.100 0.041 0.000 0.928 444 G HN 0.737 nan 8.290 nan 0.000 0.520 445 A N -0.443 122.394 122.820 0.028 0.000 2.574 445 A HA 1.053 5.389 4.320 0.027 0.000 0.297 445 A C -0.593 177.008 177.584 0.029 0.000 1.062 445 A CA -0.019 52.036 52.037 0.029 0.000 0.686 445 A CB 1.665 20.682 19.000 0.029 0.000 1.285 445 A HN 2.467 nan 8.150 nan 0.000 0.403 446 A N 1.217 124.056 122.820 0.031 0.000 2.520 446 A HA 0.689 5.025 4.320 0.027 0.000 0.298 446 A C -0.853 176.748 177.584 0.028 0.000 1.051 446 A CA -0.673 51.380 52.037 0.027 0.000 0.690 446 A CB 1.147 20.161 19.000 0.023 0.000 1.281 446 A HN 0.978 nan 8.150 nan 0.000 0.402 447 N N 1.268 119.983 118.700 0.024 0.000 2.431 447 N HA 0.038 4.794 4.740 0.027 0.000 0.265 447 N C 1.132 176.656 175.510 0.022 0.000 1.184 447 N CA -0.251 52.813 53.050 0.023 0.000 0.943 447 N CB 0.617 39.116 38.487 0.019 0.000 1.080 447 N HN 0.572 nan 8.380 nan 0.000 0.477 448 R N 2.986 123.501 120.500 0.025 0.000 2.105 448 R HA -0.120 4.236 4.340 0.027 0.000 0.239 448 R C 1.113 177.423 176.300 0.018 0.000 1.135 448 R CA 1.230 57.344 56.100 0.023 0.000 0.967 448 R CB -0.363 29.952 30.300 0.026 0.000 0.861 448 R HN 0.661 nan 8.270 nan 0.000 0.442 449 E N 0.301 120.511 120.200 0.017 0.000 2.015 449 E HA -0.088 4.278 4.350 0.027 0.000 0.191 449 E C 1.966 178.573 176.600 0.012 0.000 0.991 449 E CA 1.997 58.405 56.400 0.013 0.000 0.802 449 E CB -0.515 29.192 29.700 0.012 0.000 0.759 449 E HN 0.492 nan 8.360 nan 0.000 0.447 450 T N -1.174 113.387 114.554 0.012 0.000 3.088 450 T HA 0.083 4.449 4.350 0.027 0.000 0.259 450 T C 0.655 175.361 174.700 0.010 0.000 1.122 450 T CA 0.218 62.325 62.100 0.010 0.000 1.095 450 T CB -0.102 68.772 68.868 0.010 0.000 0.930 450 T HN 0.115 nan 8.240 nan 0.000 0.508 451 K N 0.651 121.059 120.400 0.012 0.000 3.096 451 K HA -0.106 4.230 4.320 0.027 0.000 0.266 451 K C -0.661 175.946 176.600 0.011 0.000 1.043 451 K CA 0.078 56.371 56.287 0.011 0.000 0.758 451 K CB -1.374 31.131 32.500 0.008 0.000 1.260 451 K HN 0.360 nan 8.250 nan 0.000 0.481 452 L N 0.565 121.795 121.223 0.012 0.000 2.333 452 L HA 0.699 5.055 4.340 0.027 0.000 0.280 452 L C 0.413 177.291 176.870 0.015 0.000 1.004 452 L CA 0.193 55.041 54.840 0.012 0.000 0.820 452 L CB 1.491 43.556 42.059 0.011 0.000 1.247 452 L HN 0.277 nan 8.230 nan 0.000 0.416 453 G N 4.439 113.249 108.800 0.015 0.000 2.949 453 G HA2 0.633 4.609 3.960 0.027 0.000 0.285 453 G HA3 0.633 4.609 3.960 0.027 0.000 0.285 453 G C -1.484 173.427 174.900 0.019 0.000 1.395 453 G CA -0.513 44.598 45.100 0.019 0.000 0.901 453 G HN 0.427 nan 8.290 nan 0.000 0.519 454 K N -0.567 119.846 120.400 0.022 0.000 2.501 454 K HA 0.692 5.028 4.320 0.027 0.000 0.252 454 K C -1.241 175.377 176.600 0.030 0.000 0.934 454 K CA -0.688 55.612 56.287 0.021 0.000 0.797 454 K CB 2.626 35.135 32.500 0.014 0.000 1.270 454 K HN 0.803 nan 8.250 nan 0.000 0.431 455 A N 1.274 124.117 122.820 0.039 0.000 2.422 455 A HA 0.912 5.248 4.320 0.027 0.000 0.302 455 A C -0.531 177.094 177.584 0.069 0.000 1.041 455 A CA -0.307 51.767 52.037 0.060 0.000 0.708 455 A CB 2.045 21.088 19.000 0.073 0.000 1.257 455 A HN 0.805 nan 8.150 nan 0.000 0.414 456 G N -0.275 108.583 108.800 0.096 0.000 2.578 456 G HA2 0.759 4.735 3.960 0.027 0.000 0.302 456 G HA3 0.759 4.735 3.960 0.027 0.000 0.302 456 G C -1.251 173.780 174.900 0.218 0.000 1.243 456 G CA 0.337 45.488 45.100 0.086 0.000 0.843 456 G HN 2.108 nan 8.290 nan 0.000 0.486 457 Y N -3.097 117.255 120.300 0.087 0.000 2.779 457 Y HA 0.801 5.368 4.550 0.028 0.000 0.340 457 Y C -1.586 174.350 175.900 0.060 0.000 1.252 457 Y CA -1.281 56.890 58.100 0.119 0.000 1.072 457 Y CB 1.382 39.987 38.460 0.242 0.000 1.343 457 Y HN 1.287 nan 8.280 nan 0.000 0.450 458 V N 1.429 121.514 119.914 0.284 0.000 2.969 458 V HA 0.777 4.913 4.120 0.027 0.000 0.304 458 V C -1.076 175.080 176.094 0.104 0.000 1.192 458 V CA 0.343 62.702 62.300 0.098 0.000 0.962 458 V CB 2.015 33.842 31.823 0.007 0.000 1.045 458 V HN 1.518 nan 8.190 nan 0.000 0.428 459 T N 1.969 116.494 114.554 -0.049 0.000 2.942 459 T HA 0.407 4.773 4.350 0.027 0.000 0.289 459 T C 0.944 175.611 174.700 -0.055 0.000 1.044 459 T CA -0.134 61.873 62.100 -0.154 0.000 1.023 459 T CB 1.548 70.120 68.868 -0.493 0.000 1.123 459 T HN 0.914 nan 8.240 nan 0.000 0.512 460 N N 1.071 119.770 118.700 -0.002 0.000 2.520 460 N HA -0.110 4.646 4.740 0.027 0.000 0.185 460 N C 1.197 176.694 175.510 -0.022 0.000 1.068 460 N CA 0.446 53.503 53.050 0.011 0.000 0.911 460 N CB -0.259 38.266 38.487 0.065 0.000 0.961 460 N HN 0.634 nan 8.380 nan 0.000 0.446 461 R N -0.524 119.945 120.500 -0.051 0.000 2.334 461 R HA 0.152 4.508 4.340 0.027 0.000 0.220 461 R C 0.925 177.198 176.300 -0.044 0.000 0.917 461 R CA 0.462 56.536 56.100 -0.043 0.000 1.073 461 R CB 0.142 30.415 30.300 -0.046 0.000 1.056 461 R HN 0.447 nan 8.270 nan 0.000 0.506 462 G N 1.120 109.889 108.800 -0.053 0.000 2.284 462 G HA2 -0.348 3.628 3.960 0.027 0.000 0.230 462 G HA3 -0.348 3.628 3.960 0.027 0.000 0.230 462 G C 0.308 175.178 174.900 -0.050 0.000 1.021 462 G CA -0.038 45.034 45.100 -0.047 0.000 0.619 462 G HN 0.369 nan 8.290 nan 0.000 0.510 463 R N 1.781 122.251 120.500 -0.050 0.000 2.698 463 R HA 0.421 4.777 4.340 0.027 0.000 0.266 463 R C 0.559 176.834 176.300 -0.042 0.000 1.026 463 R CA 1.255 57.342 56.100 -0.021 0.000 1.102 463 R CB 0.065 30.379 30.300 0.023 0.000 0.978 463 R HN 0.702 nan 8.270 nan 0.000 0.436 464 Q N 1.998 121.729 119.800 -0.116 0.000 2.575 464 Q HA 0.487 4.843 4.340 0.027 0.000 0.290 464 Q C -1.666 174.025 176.000 -0.515 0.000 0.963 464 Q CA -1.207 54.395 55.803 -0.335 0.000 0.783 464 Q CB 2.225 30.844 28.738 -0.199 0.000 1.467 464 Q HN 0.529 nan 8.270 nan 0.000 0.402 465 K N 0.140 120.098 120.400 -0.737 0.000 2.658 465 K HA 0.683 5.019 4.320 0.027 0.000 0.293 465 K C -2.283 174.109 176.600 -0.347 0.000 1.026 465 K CA -0.599 55.378 56.287 -0.516 0.000 0.871 465 K CB 2.788 34.950 32.500 -0.564 0.000 1.524 465 K HN 0.571 nan 8.250 nan 0.000 0.400 466 V N 1.348 121.165 119.914 -0.162 0.000 3.108 466 V HA 0.573 4.709 4.120 0.027 0.000 0.287 466 V C -2.118 173.961 176.094 -0.026 0.000 1.436 466 V CA -0.543 61.714 62.300 -0.072 0.000 1.001 466 V CB 2.184 33.969 31.823 -0.063 0.000 1.141 466 V HN 0.499 nan 8.190 nan 0.000 0.443 467 V N 4.057 123.974 119.914 0.005 0.000 2.686 467 V HA 0.551 4.687 4.120 0.027 0.000 0.306 467 V C -0.060 176.045 176.094 0.018 0.000 1.065 467 V CA -0.516 61.794 62.300 0.017 0.000 0.894 467 V CB 2.314 34.159 31.823 0.037 0.000 1.004 467 V HN 0.939 nan 8.190 nan 0.000 0.424 468 T N 6.227 120.789 114.554 0.013 0.000 2.780 468 T HA 0.639 5.005 4.350 0.027 0.000 0.294 468 T C -0.281 174.429 174.700 0.016 0.000 0.949 468 T CA -0.151 61.957 62.100 0.013 0.000 1.074 468 T CB 0.440 69.312 68.868 0.008 0.000 0.910 468 T HN 0.380 nan 8.240 nan 0.000 0.501 469 L N 2.901 124.135 121.223 0.018 0.000 2.322 469 L HA 0.454 4.810 4.340 0.027 0.000 0.281 469 L C 0.686 177.564 176.870 0.013 0.000 1.014 469 L CA -0.849 54.001 54.840 0.018 0.000 0.815 469 L CB 1.734 43.805 42.059 0.021 0.000 1.247 469 L HN 0.551 nan 8.230 nan 0.000 0.421 470 T N 0.481 115.042 114.554 0.011 0.000 2.899 470 T HA 0.081 4.447 4.350 0.027 0.000 0.284 470 T C -0.208 174.495 174.700 0.006 0.000 1.004 470 T CA -0.042 62.063 62.100 0.008 0.000 1.043 470 T CB 0.784 69.656 68.868 0.007 0.000 1.013 470 T HN 0.743 nan 8.240 nan 0.000 0.518 471 D N 1.079 121.483 120.400 0.005 0.000 3.060 471 D HA -0.159 4.497 4.640 0.027 0.000 0.209 471 D C -0.327 175.974 176.300 0.002 0.000 1.232 471 D CA 1.250 55.252 54.000 0.004 0.000 0.841 471 D CB -0.409 40.393 40.800 0.002 0.000 0.863 471 D HN 0.491 nan 8.370 nan 0.000 0.389 472 T N 0.148 114.704 114.554 0.003 0.000 2.731 472 T HA 0.762 5.128 4.350 0.027 0.000 0.300 472 T C -0.868 173.834 174.700 0.004 0.000 1.283 472 T CA 0.048 62.148 62.100 0.001 0.000 1.005 472 T CB 1.447 70.316 68.868 0.002 0.000 1.420 472 T HN 0.255 nan 8.240 nan 0.000 0.503 473 T N 0.087 114.642 114.554 0.001 0.000 2.924 473 T HA 0.424 4.790 4.350 0.027 0.000 0.291 473 T C 0.981 175.687 174.700 0.010 0.000 1.045 473 T CA -0.738 61.367 62.100 0.008 0.000 1.015 473 T CB 1.487 70.359 68.868 0.006 0.000 1.103 473 T HN 0.576 nan 8.240 nan 0.000 0.496 474 N N 0.849 119.561 118.700 0.021 0.000 2.091 474 N HA -0.275 4.481 4.740 0.027 0.000 0.193 474 N C 2.081 177.605 175.510 0.023 0.000 1.021 474 N CA 2.378 55.445 53.050 0.028 0.000 0.862 474 N CB -0.314 38.198 38.487 0.042 0.000 1.018 474 N HN 0.839 nan 8.380 nan 0.000 0.429 475 Q N 0.332 120.142 119.800 0.017 0.000 2.030 475 Q HA -0.212 4.144 4.340 0.027 0.000 0.204 475 Q C 1.704 177.673 176.000 -0.052 0.000 0.986 475 Q CA 1.510 57.310 55.803 -0.005 0.000 0.843 475 Q CB -0.321 28.412 28.738 -0.009 0.000 0.904 475 Q HN 0.256 nan 8.270 nan 0.000 0.420 476 K N 0.417 120.786 120.400 -0.050 0.000 2.063 476 K HA -0.101 4.235 4.320 0.027 0.000 0.208 476 K C 2.306 178.890 176.600 -0.027 0.000 1.048 476 K CA 1.847 58.098 56.287 -0.060 0.000 0.928 476 K CB -0.288 32.185 32.500 -0.045 0.000 0.713 476 K HN 0.332 nan 8.250 nan 0.000 0.442 477 T N 1.507 116.060 114.554 -0.003 0.000 2.652 477 T HA -0.186 4.180 4.350 0.027 0.000 0.267 477 T C 1.676 176.393 174.700 0.029 0.000 1.039 477 T CA 1.622 63.733 62.100 0.019 0.000 1.153 477 T CB -0.290 68.592 68.868 0.025 0.000 0.863 477 T HN 0.348 nan 8.240 nan 0.000 0.428 478 E N 0.897 121.112 120.200 0.025 0.000 2.038 478 E HA -0.085 4.281 4.350 0.027 0.000 0.195 478 E C 2.336 178.956 176.600 0.033 0.000 1.000 478 E CA 0.975 57.398 56.400 0.039 0.000 0.803 478 E CB -0.413 29.318 29.700 0.052 0.000 0.750 478 E HN 0.387 nan 8.360 nan 0.000 0.448 479 L N 0.977 122.194 121.223 -0.010 0.000 2.042 479 L HA -0.244 4.112 4.340 0.027 0.000 0.210 479 L C 2.791 179.677 176.870 0.027 0.000 1.076 479 L CA 1.001 55.822 54.840 -0.033 0.000 0.749 479 L CB -0.386 41.590 42.059 -0.139 0.000 0.893 479 L HN 0.175 nan 8.230 nan 0.000 0.432 480 Q N -0.191 119.633 119.800 0.039 0.000 2.135 480 Q HA -0.210 4.146 4.340 0.027 0.000 0.204 480 Q C 2.325 178.411 176.000 0.142 0.000 0.981 480 Q CA 1.906 57.776 55.803 0.112 0.000 0.856 480 Q CB -0.249 28.538 28.738 0.083 0.000 0.902 480 Q HN 0.550 nan 8.270 nan 0.000 0.425 481 A N 0.713 123.595 122.820 0.103 0.000 1.883 481 A HA -0.181 4.155 4.320 0.027 0.000 0.217 481 A C 2.157 179.794 177.584 0.087 0.000 1.186 481 A CA 1.469 53.576 52.037 0.117 0.000 0.624 481 A CB -0.759 18.304 19.000 0.105 0.000 0.822 481 A HN 0.392 nan 8.150 nan 0.000 0.444 482 I N -1.983 118.625 120.570 0.062 0.000 2.286 482 I HA -0.251 3.935 4.170 0.027 0.000 0.248 482 I C 2.493 178.611 176.117 0.002 0.000 1.115 482 I CA 1.674 62.982 61.300 0.013 0.000 1.392 482 I CB -0.494 37.519 38.000 0.022 0.000 1.065 482 I HN 0.525 nan 8.210 nan 0.000 0.418 483 Y N 2.035 122.290 120.300 -0.074 0.000 2.070 483 Y HA -0.252 4.313 4.550 0.025 0.000 0.280 483 Y C 2.354 178.193 175.900 -0.101 0.000 1.148 483 Y CA 1.581 59.629 58.100 -0.087 0.000 1.125 483 Y CB -0.657 37.768 38.460 -0.059 0.000 0.975 483 Y HN -0.004 nan 8.280 nan 0.000 0.492 484 L N -0.262 120.851 121.223 -0.183 0.000 2.042 484 L HA -0.278 4.078 4.340 0.027 0.000 0.210 484 L C 2.780 179.442 176.870 -0.346 0.000 1.076 484 L CA 1.271 55.971 54.840 -0.235 0.000 0.749 484 L CB -1.152 40.944 42.059 0.062 0.000 0.893 484 L HN 0.354 nan 8.230 nan 0.000 0.432 485 A N 0.307 122.899 122.820 -0.381 0.000 1.892 485 A HA -0.208 4.128 4.320 0.027 0.000 0.218 485 A C 2.239 179.277 177.584 -0.911 0.000 1.188 485 A CA 1.712 53.276 52.037 -0.788 0.000 0.631 485 A CB -0.760 17.927 19.000 -0.523 0.000 0.822 485 A HN 0.395 nan 8.150 nan 0.000 0.447 486 L N -1.024 119.869 121.223 -0.551 0.000 2.141 486 L HA -0.220 4.136 4.340 0.027 0.000 0.209 486 L C 2.893 179.519 176.870 -0.406 0.000 1.094 486 L CA 1.289 55.865 54.840 -0.440 0.000 0.763 486 L CB -0.593 41.307 42.059 -0.264 0.000 0.908 486 L HN 0.494 nan 8.230 nan 0.000 0.437 487 Q N 0.027 119.557 119.800 -0.450 0.000 2.020 487 Q HA -0.196 4.160 4.340 0.027 0.000 0.202 487 Q C 1.207 177.067 176.000 -0.233 0.000 0.982 487 Q CA 1.581 57.169 55.803 -0.359 0.000 0.838 487 Q CB -0.035 28.444 28.738 -0.430 0.000 0.899 487 Q HN 0.549 nan 8.270 nan 0.000 0.423 488 D N -0.359 119.904 120.400 -0.228 0.000 2.339 488 D HA -0.005 4.651 4.640 0.027 0.000 0.217 488 D C 1.746 178.029 176.300 -0.029 0.000 1.050 488 D CA 0.513 54.474 54.000 -0.066 0.000 0.856 488 D CB 0.271 41.129 40.800 0.096 0.000 0.922 488 D HN 0.158 nan 8.370 nan 0.000 0.518 489 S N 0.597 116.128 115.700 -0.282 0.000 2.406 489 S HA 0.213 4.699 4.470 0.027 0.000 0.211 489 S C 1.319 175.916 174.600 -0.005 0.000 1.045 489 S CA 0.725 58.781 58.200 -0.239 0.000 1.058 489 S CB -0.371 62.429 63.200 -0.667 0.000 1.044 489 S HN 0.372 nan 8.310 nan 0.000 0.413 490 G N -0.388 108.373 108.800 -0.066 0.000 2.369 490 G HA2 0.266 4.242 3.960 0.027 0.000 0.295 490 G HA3 0.266 4.242 3.960 0.027 0.000 0.295 490 G C -0.285 174.601 174.900 -0.023 0.000 1.298 490 G CA -0.309 44.784 45.100 -0.013 0.000 0.940 490 G HN 0.370 nan 8.290 nan 0.000 0.536 491 L N 0.436 121.658 121.223 -0.001 0.000 2.127 491 L HA 0.155 4.511 4.340 0.027 0.000 0.211 491 L C 1.365 178.241 176.870 0.010 0.000 1.089 491 L CA 1.803 56.645 54.840 0.004 0.000 0.757 491 L CB -0.463 41.605 42.059 0.015 0.000 0.899 491 L HN 0.613 nan 8.230 nan 0.000 0.434 492 E N -1.302 118.909 120.200 0.020 0.000 2.218 492 E HA 0.587 4.953 4.350 0.027 0.000 0.263 492 E C -1.281 175.343 176.600 0.040 0.000 0.879 492 E CA -0.403 56.016 56.400 0.032 0.000 0.762 492 E CB 2.380 32.103 29.700 0.039 0.000 1.166 492 E HN -0.192 nan 8.360 nan 0.000 0.415 493 V N 1.928 121.863 119.914 0.035 0.000 3.007 493 V HA 0.458 4.594 4.120 0.027 0.000 0.311 493 V C -0.661 175.483 176.094 0.084 0.000 1.120 493 V CA -1.203 61.122 62.300 0.042 0.000 0.980 493 V CB 2.323 34.090 31.823 -0.094 0.000 1.033 493 V HN 0.601 nan 8.190 nan 0.000 0.429 494 N N 2.626 121.404 118.700 0.130 0.000 2.354 494 N HA 0.694 5.450 4.740 0.027 0.000 0.287 494 N C -1.333 174.234 175.510 0.094 0.000 1.016 494 N CA -0.249 52.898 53.050 0.161 0.000 0.871 494 N CB 2.587 41.179 38.487 0.174 0.000 1.299 494 N HN 0.628 nan 8.380 nan 0.000 0.482 495 I N 1.533 122.108 120.570 0.008 0.000 2.447 495 I HA 0.266 4.452 4.170 0.027 0.000 0.287 495 I C -0.331 175.718 176.117 -0.112 0.000 1.023 495 I CA -1.076 60.196 61.300 -0.047 0.000 1.083 495 I CB 2.378 40.328 38.000 -0.083 0.000 1.245 495 I HN 0.076 nan 8.210 nan 0.000 0.434 496 V N 5.829 125.637 119.914 -0.176 0.000 2.435 496 V HA 0.777 4.913 4.120 0.027 0.000 0.290 496 V C -0.519 175.511 176.094 -0.108 0.000 1.030 496 V CA 0.313 62.490 62.300 -0.204 0.000 0.881 496 V CB 1.834 33.410 31.823 -0.411 0.000 0.983 496 V HN 0.868 nan 8.190 nan 0.000 0.445 497 T N 3.338 117.854 114.554 -0.063 0.000 2.868 497 T HA 0.379 4.745 4.350 0.027 0.000 0.306 497 T C -0.093 174.559 174.700 -0.080 0.000 1.224 497 T CA 0.106 62.195 62.100 -0.018 0.000 1.012 497 T CB 1.912 70.812 68.868 0.053 0.000 1.221 497 T HN 0.886 nan 8.240 nan 0.000 0.499 498 D N 1.180 121.525 120.400 -0.093 0.000 2.363 498 D HA 0.101 4.757 4.640 0.027 0.000 0.214 498 D C 0.528 176.989 176.300 0.267 0.000 1.093 498 D CA -0.268 53.606 54.000 -0.210 0.000 0.837 498 D CB 0.363 41.024 40.800 -0.233 0.000 0.948 498 D HN 0.295 nan 8.370 nan 0.000 0.507 499 S N 0.669 116.552 115.700 0.304 0.000 2.531 499 S HA -0.014 4.472 4.470 0.027 0.000 0.279 499 S C 1.351 176.146 174.600 0.325 0.000 1.305 499 S CA -0.348 58.027 58.200 0.291 0.000 1.058 499 S CB 1.313 64.631 63.200 0.196 0.000 0.899 499 S HN 0.045 nan 8.310 nan 0.000 0.493 500 Q N 3.610 123.540 119.800 0.215 0.000 2.079 500 Q HA -0.125 4.231 4.340 0.027 0.000 0.200 500 Q C 1.376 177.368 176.000 -0.014 0.000 0.974 500 Q CA 1.631 57.445 55.803 0.019 0.000 0.840 500 Q CB -0.527 28.223 28.738 0.020 0.000 0.898 500 Q HN 0.968 nan 8.270 nan 0.000 0.430 501 Y N 1.322 121.620 120.300 -0.004 0.000 2.165 501 Y HA -0.230 4.335 4.550 0.026 0.000 0.286 501 Y C 2.305 178.194 175.900 -0.018 0.000 1.155 501 Y CA 1.398 59.497 58.100 -0.002 0.000 1.164 501 Y CB -0.437 38.042 38.460 0.033 0.000 0.978 501 Y HN 0.132 nan 8.280 nan 0.000 0.513 502 A N -0.364 122.600 122.820 0.239 0.000 1.940 502 A HA -0.228 4.108 4.320 0.027 0.000 0.219 502 A C 2.177 179.777 177.584 0.027 0.000 1.176 502 A CA 1.785 53.913 52.037 0.153 0.000 0.631 502 A CB -1.212 17.877 19.000 0.149 0.000 0.814 502 A HN 0.489 nan 8.150 nan 0.000 0.446 503 L N 0.082 121.260 121.223 -0.075 0.000 2.079 503 L HA -0.094 4.262 4.340 0.027 0.000 0.210 503 L C 2.444 179.172 176.870 -0.237 0.000 1.081 503 L CA 2.166 56.865 54.840 -0.235 0.000 0.752 503 L CB -1.033 40.727 42.059 -0.499 0.000 0.896 503 L HN 0.340 nan 8.230 nan 0.000 0.433 504 G N -0.607 108.036 108.800 -0.262 0.000 2.418 504 G HA2 -0.238 3.738 3.960 0.027 0.000 0.217 504 G HA3 -0.238 3.738 3.960 0.027 0.000 0.217 504 G C 1.627 176.366 174.900 -0.269 0.000 1.158 504 G CA 1.020 45.904 45.100 -0.360 0.000 0.771 504 G HN 0.471 nan 8.290 nan 0.000 0.545 505 I N 0.571 121.074 120.570 -0.112 0.000 2.361 505 I HA -0.134 4.052 4.170 0.027 0.000 0.251 505 I C 2.564 178.702 176.117 0.035 0.000 1.133 505 I CA 0.667 61.976 61.300 0.015 0.000 1.413 505 I CB -0.173 37.899 38.000 0.121 0.000 1.073 505 I HN 0.177 nan 8.210 nan 0.000 0.424 506 I N 0.193 120.752 120.570 -0.019 0.000 2.202 506 I HA -0.296 3.890 4.170 0.027 0.000 0.242 506 I C 2.679 178.784 176.117 -0.018 0.000 1.091 506 I CA 1.420 62.712 61.300 -0.013 0.000 1.368 506 I CB -0.414 37.550 38.000 -0.061 0.000 1.058 506 I HN 0.300 nan 8.210 nan 0.000 0.410 507 Q N 0.716 120.462 119.800 -0.091 0.000 2.224 507 Q HA -0.144 4.212 4.340 0.027 0.000 0.203 507 Q C 1.909 177.947 176.000 0.064 0.000 0.970 507 Q CA 1.627 57.376 55.803 -0.091 0.000 0.865 507 Q CB 0.163 28.733 28.738 -0.279 0.000 0.922 507 Q HN 0.563 nan 8.270 nan 0.000 0.445 508 A N 0.091 122.954 122.820 0.071 0.000 2.074 508 A HA 0.018 4.354 4.320 0.027 0.000 0.200 508 A C 0.155 177.882 177.584 0.239 0.000 1.335 508 A CA 0.457 52.660 52.037 0.278 0.000 0.922 508 A CB 0.144 19.262 19.000 0.196 0.000 0.972 508 A HN 0.509 nan 8.150 nan 0.000 0.475 509 Q N 0.134 120.028 119.800 0.157 0.000 2.439 509 Q HA -0.127 4.229 4.340 0.027 0.000 0.361 509 Q C -2.259 173.861 176.000 0.200 0.000 1.408 509 Q CA 0.490 56.417 55.803 0.207 0.000 1.052 509 Q CB -1.935 26.837 28.738 0.056 0.000 1.233 509 Q HN 0.459 nan 8.270 nan 0.000 0.347 510 P HA 0.054 nan 4.420 nan 0.000 0.274 510 P C -0.426 177.073 177.300 0.331 0.000 1.231 510 P CA 0.340 63.605 63.100 0.275 0.000 0.790 510 P CB 0.789 32.661 31.700 0.288 0.000 0.951 511 D N -0.091 120.474 120.400 0.276 0.000 2.559 511 D HA 0.109 4.765 4.640 0.027 0.000 0.234 511 D C 0.043 176.406 176.300 0.105 0.000 1.226 511 D CA -0.291 53.856 54.000 0.246 0.000 0.830 511 D CB 0.031 41.044 40.800 0.355 0.000 1.028 511 D HN 0.484 nan 8.370 nan 0.000 0.492 512 Q N -2.231 117.650 119.800 0.134 0.000 2.686 512 Q HA 0.483 4.839 4.340 0.027 0.000 0.266 512 Q C -1.684 174.393 176.000 0.128 0.000 0.965 512 Q CA -1.002 54.853 55.803 0.087 0.000 0.894 512 Q CB 0.994 29.776 28.738 0.075 0.000 1.583 512 Q HN 0.016 nan 8.270 nan 0.000 0.405 513 S N -0.208 115.546 115.700 0.090 0.000 2.587 513 S HA 0.305 4.791 4.470 0.027 0.000 0.269 513 S C -0.472 174.157 174.600 0.049 0.000 1.154 513 S CA 0.136 58.398 58.200 0.103 0.000 0.824 513 S CB 1.553 64.845 63.200 0.153 0.000 1.118 513 S HN 0.774 nan 8.310 nan 0.000 0.462 514 E N 1.171 121.395 120.200 0.041 0.000 2.107 514 E HA 0.146 4.512 4.350 0.027 0.000 0.191 514 E C 0.797 177.394 176.600 -0.004 0.000 0.982 514 E CA 0.914 57.323 56.400 0.015 0.000 0.809 514 E CB -0.515 29.192 29.700 0.013 0.000 0.756 514 E HN 0.334 nan 8.360 nan 0.000 0.459 515 S N 0.845 116.542 115.700 -0.005 0.000 2.466 515 S HA 0.016 4.502 4.470 0.027 0.000 0.286 515 S C 1.002 175.562 174.600 -0.066 0.000 1.221 515 S CA -0.256 57.918 58.200 -0.044 0.000 1.091 515 S CB 0.418 63.573 63.200 -0.075 0.000 0.956 515 S HN 0.266 nan 8.310 nan 0.000 0.501 516 E N 4.905 125.060 120.200 -0.075 0.000 2.130 516 E HA -0.187 4.179 4.350 0.027 0.000 0.196 516 E C 1.618 178.128 176.600 -0.150 0.000 0.998 516 E CA 1.706 58.048 56.400 -0.096 0.000 0.806 516 E CB -0.379 29.268 29.700 -0.089 0.000 0.738 516 E HN 0.831 nan 8.360 nan 0.000 0.459 517 L N -0.594 120.527 121.223 -0.170 0.000 2.012 517 L HA -0.200 4.156 4.340 0.027 0.000 0.210 517 L C 2.259 178.984 176.870 -0.242 0.000 1.073 517 L CA 1.431 56.123 54.840 -0.246 0.000 0.748 517 L CB -0.229 41.706 42.059 -0.207 0.000 0.891 517 L HN 0.134 nan 8.230 nan 0.000 0.431 518 V N 0.150 119.967 119.914 -0.162 0.000 2.343 518 V HA -0.289 3.847 4.120 0.027 0.000 0.247 518 V C 2.237 178.282 176.094 -0.080 0.000 1.051 518 V CA 1.905 64.145 62.300 -0.099 0.000 1.036 518 V CB -0.880 30.931 31.823 -0.020 0.000 0.654 518 V HN 0.527 nan 8.190 nan 0.000 0.451 519 N N 0.014 118.663 118.700 -0.086 0.000 2.104 519 N HA -0.186 4.570 4.740 0.027 0.000 0.190 519 N C 1.930 177.369 175.510 -0.119 0.000 1.024 519 N CA 1.294 54.294 53.050 -0.082 0.000 0.853 519 N CB -0.299 38.140 38.487 -0.080 0.000 1.008 519 N HN 0.507 nan 8.380 nan 0.000 0.424 520 Q N 0.932 120.616 119.800 -0.193 0.000 2.020 520 Q HA -0.031 4.325 4.340 0.027 0.000 0.202 520 Q C 2.402 178.324 176.000 -0.130 0.000 0.982 520 Q CA 0.815 56.468 55.803 -0.250 0.000 0.838 520 Q CB -0.508 27.852 28.738 -0.630 0.000 0.899 520 Q HN 0.473 nan 8.270 nan 0.000 0.423 521 I N 0.584 121.066 120.570 -0.147 0.000 2.208 521 I HA -0.300 3.886 4.170 0.027 0.000 0.245 521 I C 2.342 178.421 176.117 -0.064 0.000 1.097 521 I CA 1.060 62.356 61.300 -0.006 0.000 1.363 521 I CB -0.380 37.604 38.000 -0.026 0.000 1.051 521 I HN 0.146 nan 8.210 nan 0.000 0.413 522 I N 0.377 120.896 120.570 -0.085 0.000 2.142 522 I HA -0.258 3.928 4.170 0.027 0.000 0.240 522 I C 2.584 178.622 176.117 -0.133 0.000 1.078 522 I CA 1.277 62.506 61.300 -0.118 0.000 1.343 522 I CB -0.527 37.456 38.000 -0.028 0.000 1.046 522 I HN 0.214 nan 8.210 nan 0.000 0.405 523 E N 0.456 120.600 120.200 -0.094 0.000 2.118 523 E HA -0.291 4.075 4.350 0.027 0.000 0.195 523 E C 2.061 178.628 176.600 -0.055 0.000 0.992 523 E CA 1.338 57.689 56.400 -0.082 0.000 0.804 523 E CB -0.341 29.319 29.700 -0.067 0.000 0.741 523 E HN 0.443 nan 8.360 nan 0.000 0.458 524 Q N 0.591 120.373 119.800 -0.030 0.000 2.079 524 Q HA -0.013 4.343 4.340 0.027 0.000 0.200 524 Q C 2.291 178.234 176.000 -0.096 0.000 0.974 524 Q CA 0.880 56.667 55.803 -0.027 0.000 0.840 524 Q CB -0.299 28.465 28.738 0.044 0.000 0.898 524 Q HN 0.262 nan 8.270 nan 0.000 0.430 525 L N -0.357 120.759 121.223 -0.178 0.000 2.083 525 L HA -0.156 4.200 4.340 0.027 0.000 0.209 525 L C 2.084 178.830 176.870 -0.208 0.000 1.083 525 L CA 0.920 55.580 54.840 -0.300 0.000 0.752 525 L CB -0.329 41.327 42.059 -0.672 0.000 0.899 525 L HN 0.291 nan 8.230 nan 0.000 0.433 526 I N -0.655 119.842 120.570 -0.121 0.000 2.493 526 I HA -0.265 3.921 4.170 0.027 0.000 0.254 526 I C 2.360 178.519 176.117 0.070 0.000 1.160 526 I CA 1.132 62.473 61.300 0.069 0.000 1.445 526 I CB -0.274 37.790 38.000 0.107 0.000 1.086 526 I HN 0.200 nan 8.210 nan 0.000 0.433 527 K N 0.777 121.184 120.400 0.012 0.000 2.103 527 K HA -0.034 4.302 4.320 0.027 0.000 0.204 527 K C 0.580 177.190 176.600 0.016 0.000 1.052 527 K CA 0.645 56.942 56.287 0.016 0.000 0.945 527 K CB 0.072 32.566 32.500 -0.009 0.000 0.722 527 K HN 0.122 nan 8.250 nan 0.000 0.443 528 K N 1.540 121.938 120.400 -0.004 0.000 2.295 528 K HA -0.051 4.285 4.320 0.027 0.000 0.270 528 K C 0.996 177.620 176.600 0.039 0.000 1.011 528 K CA 0.394 56.682 56.287 0.001 0.000 0.953 528 K CB 0.885 33.367 32.500 -0.028 0.000 0.956 528 K HN 0.350 nan 8.250 nan 0.000 0.477 529 E N 0.941 121.165 120.200 0.040 0.000 2.400 529 E HA 0.015 4.381 4.350 0.027 0.000 0.195 529 E C -0.374 176.264 176.600 0.064 0.000 1.012 529 E CA 0.537 56.970 56.400 0.056 0.000 0.875 529 E CB 0.413 30.140 29.700 0.045 0.000 0.859 529 E HN 0.298 nan 8.360 nan 0.000 0.498 530 K N 0.993 121.427 120.400 0.056 0.000 2.619 530 K HA 0.394 4.730 4.320 0.027 0.000 0.251 530 K C -1.910 174.732 176.600 0.069 0.000 0.987 530 K CA -0.485 55.843 56.287 0.069 0.000 0.844 530 K CB 2.801 35.336 32.500 0.057 0.000 1.237 530 K HN -0.107 nan 8.250 nan 0.000 0.447 531 V N 3.526 123.498 119.914 0.096 0.000 2.623 531 V HA 0.311 4.447 4.120 0.027 0.000 0.304 531 V C -1.509 174.680 176.094 0.157 0.000 1.054 531 V CA -0.915 61.437 62.300 0.085 0.000 0.882 531 V CB 1.632 33.471 31.823 0.026 0.000 1.002 531 V HN 0.672 nan 8.190 nan 0.000 0.424 532 Y N 6.051 126.362 120.300 0.018 0.000 2.345 532 Y HA 0.741 5.307 4.550 0.026 0.000 0.331 532 Y C -1.026 174.884 175.900 0.017 0.000 0.959 532 Y CA -1.064 57.051 58.100 0.026 0.000 1.204 532 Y CB 1.600 40.072 38.460 0.020 0.000 1.135 532 Y HN 0.591 nan 8.280 nan 0.000 0.477 533 L N 6.348 127.302 121.223 -0.448 0.000 2.282 533 L HA 0.871 5.227 4.340 0.027 0.000 0.288 533 L C -0.866 175.637 176.870 -0.612 0.000 1.033 533 L CA -0.382 54.230 54.840 -0.380 0.000 0.807 533 L CB 0.823 42.788 42.059 -0.156 0.000 1.209 533 L HN 0.760 nan 8.230 nan 0.000 0.423 534 A N 4.539 127.104 122.820 -0.426 0.000 2.401 534 A HA 0.682 5.018 4.320 0.027 0.000 0.310 534 A C -1.930 175.652 177.584 -0.004 0.000 1.075 534 A CA -0.561 51.319 52.037 -0.261 0.000 0.746 534 A CB 0.835 19.722 19.000 -0.187 0.000 1.277 534 A HN 0.806 nan 8.150 nan 0.000 0.425 535 W N 2.285 123.517 121.300 -0.114 0.000 2.689 535 W HA 0.641 5.316 4.660 0.026 0.000 0.340 535 W C -1.003 175.499 176.519 -0.029 0.000 1.060 535 W CA -0.473 56.833 57.345 -0.064 0.000 1.218 535 W CB 1.916 31.341 29.460 -0.059 0.000 1.410 535 W HN 0.922 nan 8.180 nan 0.000 0.528 536 V N 2.295 121.580 119.914 -1.049 0.000 3.049 536 V HA 0.653 4.789 4.120 0.027 0.000 0.309 536 V C -2.758 172.382 176.094 -1.591 0.000 1.148 536 V CA -3.133 58.563 62.300 -1.007 0.000 0.990 536 V CB 1.443 33.011 31.823 -0.424 0.000 1.039 536 V HN 0.504 nan 8.190 nan 0.000 0.430 537 P HA 0.240 nan 4.420 nan 0.000 0.261 537 P C 0.056 177.142 177.300 -0.357 0.000 1.183 537 P CA 0.830 63.579 63.100 -0.585 0.000 0.761 537 P CB 0.292 31.865 31.700 -0.211 0.000 0.785 538 A N 3.974 126.672 122.820 -0.203 0.000 2.425 538 A HA 0.150 4.486 4.320 0.027 0.000 0.242 538 A C 0.737 178.291 177.584 -0.051 0.000 1.077 538 A CA 0.088 52.023 52.037 -0.170 0.000 0.781 538 A CB -0.533 18.400 19.000 -0.111 0.000 1.020 538 A HN 0.816 nan 8.150 nan 0.000 0.494 539 H N -1.367 117.686 119.070 -0.027 0.000 3.211 539 H HA -0.146 4.426 4.556 0.027 0.000 0.240 539 H C 0.452 175.766 175.328 -0.023 0.000 1.148 539 H CA 1.689 57.728 56.048 -0.014 0.000 1.160 539 H CB -1.337 28.426 29.762 0.003 0.000 1.232 539 H HN 0.711 nan 8.280 nan 0.000 0.321 540 K N -0.354 120.061 120.400 0.025 0.000 2.720 540 K HA 0.496 4.832 4.320 0.027 0.000 0.281 540 K C 1.750 178.343 176.600 -0.012 0.000 1.019 540 K CA 0.426 56.715 56.287 0.004 0.000 1.088 540 K CB 0.248 32.729 32.500 -0.031 0.000 1.449 540 K HN 0.117 nan 8.250 nan 0.000 0.542 541 G N -0.124 108.665 108.800 -0.018 0.000 2.939 541 G HA2 0.099 4.075 3.960 0.027 0.000 0.210 541 G HA3 0.099 4.075 3.960 0.027 0.000 0.210 541 G C -0.185 174.698 174.900 -0.028 0.000 1.160 541 G CA -0.058 45.030 45.100 -0.021 0.000 0.770 541 G HN 0.309 nan 8.290 nan 0.000 0.543 542 I N 2.021 122.575 120.570 -0.027 0.000 2.671 542 I HA 0.448 4.634 4.170 0.027 0.000 0.285 542 I C 0.934 177.062 176.117 0.019 0.000 1.148 542 I CA 0.448 61.750 61.300 0.005 0.000 1.386 542 I CB 0.260 38.263 38.000 0.004 0.000 1.406 542 I HN 0.067 nan 8.210 nan 0.000 0.540 543 G N 0.000 108.768 108.800 -0.053 0.000 5.446 543 G HA2 0.000 3.976 3.960 0.027 0.000 0.244 543 G HA3 0.000 3.976 3.960 0.027 0.000 0.244 543 G CA 0.000 45.018 45.100 -0.136 0.000 0.502 543 G HN 0.000 nan 8.290 nan 0.000 0.925