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 3lam_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 YPGIKVRQLC KLLRGTKALT EVIPLTEEAE DATA SEQUENCE LELAENREIL KEPVHGVYYD PSKDLIAEIQ KQGQGQWTYQ IYQEPFKNLK DATA SEQUENCE TGKYARMRGA HTNDVKQLTE AVQKITTESI VIWGKTPKFK LPIQKETWET DATA SEQUENCE WWTEYWQATW IPEWEFVNTP PLVKLWYQLE KEPIVGAETF YVDGAANRET DATA SEQUENCE KLGKAGYVTN RGRQKVVTLT DTTNQKTELQ AIYLALQDSG LEVNIVTDSQ DATA SEQUENCE YALGIIQAQP DQSESELVNQ IIEQLIKKEK VYLAWVPAHK GIGGNEQVDK DATA SEQUENCE LVS 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 0.000 177.364 177.300 0.107 0.000 1.155 1 P CA 0.000 63.148 63.100 0.079 0.000 0.800 1 P CB 0.000 31.739 31.700 0.065 0.000 0.726 2 I N 0.243 120.871 120.570 0.098 0.000 2.583 2 I HA 0.247 4.419 4.170 0.003 0.000 0.276 2 I C 0.184 176.371 176.117 0.116 0.000 1.089 2 I CA -0.530 60.840 61.300 0.116 0.000 1.103 2 I CB 1.495 39.551 38.000 0.095 0.000 1.209 2 I HN 0.436 nan 8.210 nan 0.000 0.484 3 S N 7.027 122.816 115.700 0.148 0.000 2.806 3 S HA -0.037 4.435 4.470 0.003 0.000 0.334 3 S C -0.843 173.857 174.600 0.168 0.000 1.226 3 S CA -0.355 57.954 58.200 0.182 0.000 1.017 3 S CB 0.612 63.940 63.200 0.214 0.000 0.712 3 S HN 0.503 nan 8.310 nan 0.000 0.491 4 P HA -0.011 nan 4.420 nan 0.000 0.226 4 P C 0.966 178.418 177.300 0.254 0.000 1.153 4 P CA 0.313 63.499 63.100 0.143 0.000 0.777 4 P CB -0.250 31.442 31.700 -0.013 0.000 0.794 5 I N 0.893 121.688 120.570 0.376 0.000 2.880 5 I HA -0.084 4.088 4.170 0.003 0.000 0.296 5 I C 0.829 177.041 176.117 0.159 0.000 1.220 5 I CA -0.102 61.373 61.300 0.292 0.000 1.435 5 I CB 0.458 38.535 38.000 0.128 0.000 1.339 5 I HN -0.024 nan 8.210 nan 0.000 0.583 6 E N 4.789 125.064 120.200 0.125 0.000 2.485 6 E HA -0.068 4.284 4.350 0.003 0.000 0.266 6 E C -0.312 176.330 176.600 0.069 0.000 1.090 6 E CA 0.323 56.774 56.400 0.086 0.000 0.987 6 E CB 0.564 30.303 29.700 0.064 0.000 0.974 6 E HN 0.706 nan 8.360 nan 0.000 0.455 7 T N -0.773 113.822 114.554 0.068 0.000 2.902 7 T HA 0.393 4.745 4.350 0.003 0.000 0.280 7 T C -0.120 174.617 174.700 0.061 0.000 0.992 7 T CA -1.035 61.106 62.100 0.068 0.000 1.015 7 T CB 1.340 70.254 68.868 0.077 0.000 1.044 7 T HN 0.182 nan 8.240 nan 0.000 0.520 8 V N 3.860 123.814 119.914 0.067 0.000 2.350 8 V HA 0.369 4.491 4.120 0.003 0.000 0.276 8 V C -1.958 174.190 176.094 0.090 0.000 1.028 8 V CA -1.950 60.394 62.300 0.074 0.000 0.860 8 V CB 0.923 32.794 31.823 0.080 0.000 0.990 8 V HN 0.848 nan 8.190 nan 0.000 0.453 9 P HA 0.150 nan 4.420 nan 0.000 0.267 9 P C -0.707 176.636 177.300 0.072 0.000 1.209 9 P CA 0.251 63.398 63.100 0.078 0.000 0.763 9 P CB 1.030 32.767 31.700 0.062 0.000 0.816 10 V N 4.586 124.532 119.914 0.052 0.000 2.715 10 V HA 0.460 4.581 4.120 0.003 0.000 0.310 10 V C 0.513 176.627 176.094 0.033 0.000 1.054 10 V CA -0.604 61.666 62.300 -0.050 0.000 0.928 10 V CB 2.196 33.779 31.823 -0.401 0.000 1.007 10 V HN 0.483 nan 8.190 nan 0.000 0.437 11 K N 2.403 122.803 120.400 0.000 0.000 2.378 11 K HA 0.746 5.068 4.320 0.003 0.000 0.244 11 K C -1.346 175.341 176.600 0.144 0.000 1.039 11 K CA -0.892 55.465 56.287 0.115 0.000 0.863 11 K CB 2.426 34.945 32.500 0.032 0.000 1.326 11 K HN 0.386 nan 8.250 nan 0.000 0.460 12 L N 1.216 122.512 121.223 0.121 0.000 2.358 12 L HA 0.417 4.759 4.340 0.003 0.000 0.268 12 L C 0.180 177.045 176.870 -0.008 0.000 1.032 12 L CA -0.951 53.915 54.840 0.042 0.000 0.805 12 L CB 0.759 42.748 42.059 -0.117 0.000 1.253 12 L HN 0.372 nan 8.230 nan 0.000 0.452 13 K N 1.748 122.138 120.400 -0.017 0.000 2.469 13 K HA 0.028 4.350 4.320 0.003 0.000 0.274 13 K C -1.502 175.088 176.600 -0.016 0.000 0.983 13 K CA -1.031 55.242 56.287 -0.024 0.000 0.974 13 K CB 0.398 32.887 32.500 -0.018 0.000 0.913 13 K HN 0.367 nan 8.250 nan 0.000 0.493 14 P HA -0.157 nan 4.420 nan 0.000 0.218 14 P C 0.805 178.107 177.300 0.003 0.000 1.148 14 P CA 1.382 64.480 63.100 -0.003 0.000 0.822 14 P CB 0.137 31.834 31.700 -0.005 0.000 0.784 15 G N -1.405 107.397 108.800 0.003 0.000 3.284 15 G HA2 0.276 4.237 3.960 0.003 0.000 0.236 15 G HA3 0.276 4.237 3.960 0.003 0.000 0.236 15 G C 0.577 175.483 174.900 0.010 0.000 1.158 15 G CA -0.123 44.982 45.100 0.009 0.000 0.774 15 G HN 0.177 nan 8.290 nan 0.000 0.545 16 M N 0.138 119.739 119.600 0.001 0.000 2.598 16 M HA 0.428 4.909 4.480 0.003 0.000 0.317 16 M C -1.556 174.733 176.300 -0.019 0.000 1.179 16 M CA -0.793 54.504 55.300 -0.005 0.000 0.936 16 M CB 2.389 34.981 32.600 -0.013 0.000 1.713 16 M HN -0.091 nan 8.290 nan 0.000 0.460 17 D N 0.202 120.597 120.400 -0.008 0.000 2.419 17 D HA 0.602 5.244 4.640 0.003 0.000 0.234 17 D C -0.165 176.095 176.300 -0.066 0.000 1.014 17 D CA -0.030 53.965 54.000 -0.008 0.000 0.919 17 D CB 1.899 42.759 40.800 0.100 0.000 1.366 17 D HN 0.700 nan 8.370 nan 0.000 0.490 18 G N 0.961 109.640 108.800 -0.203 0.000 2.716 18 G HA2 0.321 4.283 3.960 0.003 0.000 0.251 18 G HA3 0.321 4.283 3.960 0.003 0.000 0.251 18 G C -2.152 172.778 174.900 0.049 0.000 1.224 18 G CA -0.739 44.158 45.100 -0.337 0.000 0.891 18 G HN 0.458 nan 8.290 nan 0.000 0.561 19 P HA 0.255 nan 4.420 nan 0.000 0.272 19 P C -0.628 176.836 177.300 0.274 0.000 1.240 19 P CA -0.117 63.086 63.100 0.171 0.000 0.791 19 P CB 1.115 32.914 31.700 0.164 0.000 0.978 20 K N 0.043 120.560 120.400 0.196 0.000 2.788 20 K HA 0.192 4.514 4.320 0.003 0.000 0.190 20 K C -0.448 176.227 176.600 0.126 0.000 1.143 20 K CA -0.235 56.153 56.287 0.169 0.000 1.099 20 K CB 0.654 33.236 32.500 0.137 0.000 0.767 20 K HN 0.137 nan 8.250 nan 0.000 0.466 21 V N 2.312 122.302 119.914 0.126 0.000 2.928 21 V HA -0.097 4.025 4.120 0.003 0.000 0.307 21 V C 0.652 176.815 176.094 0.114 0.000 1.105 21 V CA 0.329 62.695 62.300 0.109 0.000 1.223 21 V CB 0.410 32.294 31.823 0.102 0.000 0.930 21 V HN 0.256 nan 8.190 nan 0.000 0.499 22 K N 3.030 123.498 120.400 0.114 0.000 2.218 22 K HA 0.272 4.594 4.320 0.003 0.000 0.276 22 K C -0.062 176.632 176.600 0.156 0.000 1.022 22 K CA -0.636 55.723 56.287 0.121 0.000 0.946 22 K CB 0.821 33.392 32.500 0.118 0.000 1.000 22 K HN 0.681 nan 8.250 nan 0.000 0.468 23 Q N 4.393 124.282 119.800 0.148 0.000 2.293 23 Q HA -0.005 4.337 4.340 0.003 0.000 0.263 23 Q C -1.291 174.846 176.000 0.228 0.000 1.002 23 Q CA -0.114 55.799 55.803 0.183 0.000 0.910 23 Q CB 0.463 29.284 28.738 0.138 0.000 1.185 23 Q HN 0.602 nan 8.270 nan 0.000 0.401 24 W N 8.237 129.592 121.300 0.090 0.000 2.251 24 W HA 0.219 4.880 4.660 0.003 0.000 0.327 24 W C -2.268 174.306 176.519 0.091 0.000 1.361 24 W CA -1.974 55.427 57.345 0.093 0.000 1.234 24 W CB 0.856 30.390 29.460 0.124 0.000 1.212 24 W HN 0.572 nan 8.180 nan 0.000 0.557 25 P HA 0.055 nan 4.420 nan 0.000 0.267 25 P C -0.805 176.370 177.300 -0.208 0.000 1.205 25 P CA 0.605 63.509 63.100 -0.326 0.000 0.765 25 P CB 0.919 32.352 31.700 -0.444 0.000 0.828 26 L N 2.628 123.815 121.223 -0.059 0.000 2.334 26 L HA 0.372 4.714 4.340 0.003 0.000 0.273 26 L C 1.597 178.433 176.870 -0.056 0.000 1.013 26 L CA -0.783 54.050 54.840 -0.013 0.000 0.816 26 L CB 1.700 43.738 42.059 -0.036 0.000 1.278 26 L HN 0.402 nan 8.230 nan 0.000 0.431 27 T N -2.184 112.344 114.554 -0.043 0.000 2.595 27 T HA -0.026 4.326 4.350 0.003 0.000 0.339 27 T C 0.866 175.516 174.700 -0.083 0.000 1.059 27 T CA -0.059 62.013 62.100 -0.047 0.000 1.035 27 T CB 0.619 69.476 68.868 -0.018 0.000 1.003 27 T HN 0.673 nan 8.240 nan 0.000 0.540 28 E N 0.522 120.681 120.200 -0.069 0.000 2.086 28 E HA -0.108 4.244 4.350 0.003 0.000 0.190 28 E C 2.379 178.903 176.600 -0.126 0.000 0.975 28 E CA 1.132 57.483 56.400 -0.082 0.000 0.813 28 E CB -0.079 29.590 29.700 -0.051 0.000 0.768 28 E HN 0.925 nan 8.360 nan 0.000 0.457 29 E N 1.751 121.874 120.200 -0.127 0.000 2.153 29 E HA -0.198 4.154 4.350 0.003 0.000 0.194 29 E C 1.698 178.002 176.600 -0.493 0.000 0.988 29 E CA 0.985 57.262 56.400 -0.204 0.000 0.811 29 E CB -0.174 29.496 29.700 -0.050 0.000 0.746 29 E HN 0.115 nan 8.360 nan 0.000 0.466 30 K N 0.622 120.750 120.400 -0.454 0.000 2.076 30 K HA 0.037 4.359 4.320 0.003 0.000 0.204 30 K C 2.310 178.675 176.600 -0.393 0.000 1.051 30 K CA 1.083 57.025 56.287 -0.576 0.000 0.949 30 K CB -0.051 32.203 32.500 -0.410 0.000 0.726 30 K HN 0.166 nan 8.250 nan 0.000 0.443 31 I N 1.517 121.938 120.570 -0.247 0.000 2.226 31 I HA -0.295 3.877 4.170 0.003 0.000 0.245 31 I C 2.577 178.595 176.117 -0.165 0.000 1.100 31 I CA 1.281 62.486 61.300 -0.158 0.000 1.374 31 I CB -0.248 37.689 38.000 -0.104 0.000 1.057 31 I HN 0.184 nan 8.210 nan 0.000 0.413 32 K N 1.380 121.660 120.400 -0.200 0.000 2.026 32 K HA -0.169 4.153 4.320 0.003 0.000 0.208 32 K C 2.254 178.719 176.600 -0.224 0.000 1.048 32 K CA 1.439 57.622 56.287 -0.173 0.000 0.929 32 K CB -0.115 32.292 32.500 -0.155 0.000 0.713 32 K HN 0.252 nan 8.250 nan 0.000 0.439 33 A N 1.552 124.125 122.820 -0.410 0.000 1.859 33 A HA -0.197 4.125 4.320 0.003 0.000 0.217 33 A C 2.159 179.604 177.584 -0.231 0.000 1.198 33 A CA 1.766 53.523 52.037 -0.467 0.000 0.629 33 A CB -0.933 17.470 19.000 -0.994 0.000 0.830 33 A HN 0.355 nan 8.150 nan 0.000 0.446 34 L N -0.498 120.602 121.223 -0.205 0.000 2.079 34 L HA -0.193 4.149 4.340 0.003 0.000 0.210 34 L C 2.553 179.396 176.870 -0.046 0.000 1.081 34 L CA 1.208 55.995 54.840 -0.087 0.000 0.752 34 L CB -0.617 41.415 42.059 -0.044 0.000 0.896 34 L HN 0.280 nan 8.230 nan 0.000 0.433 35 V N -0.145 119.739 119.914 -0.049 0.000 2.343 35 V HA -0.275 3.847 4.120 0.003 0.000 0.247 35 V C 2.363 178.446 176.094 -0.018 0.000 1.051 35 V CA 1.847 64.140 62.300 -0.011 0.000 1.036 35 V CB -0.476 31.338 31.823 -0.014 0.000 0.654 35 V HN 0.478 nan 8.190 nan 0.000 0.451 36 E N -0.298 119.879 120.200 -0.039 0.000 2.110 36 E HA -0.206 4.146 4.350 0.003 0.000 0.193 36 E C 2.139 178.735 176.600 -0.007 0.000 0.988 36 E CA 1.370 57.758 56.400 -0.019 0.000 0.804 36 E CB -0.201 29.486 29.700 -0.022 0.000 0.745 36 E HN 0.499 nan 8.360 nan 0.000 0.458 37 I N 0.707 121.269 120.570 -0.015 0.000 2.163 37 I HA -0.285 3.886 4.170 0.003 0.000 0.240 37 I C 2.353 178.441 176.117 -0.047 0.000 1.081 37 I CA 1.101 62.398 61.300 -0.004 0.000 1.353 37 I CB -0.315 37.690 38.000 0.009 0.000 1.054 37 I HN 0.180 nan 8.210 nan 0.000 0.407 38 C N -0.322 118.916 119.300 -0.103 0.000 2.432 38 C HA -0.091 4.371 4.460 0.003 0.000 0.280 38 C C 2.827 177.704 174.990 -0.189 0.000 1.353 38 C CA 1.234 60.087 59.018 -0.276 0.000 1.766 38 C CB -1.345 26.092 27.740 -0.504 0.000 1.924 38 C HN 0.524 nan 8.230 nan 0.000 0.509 39 T N 0.368 114.900 114.554 -0.037 0.000 2.851 39 T HA -0.120 4.232 4.350 0.003 0.000 0.262 39 T C 1.761 176.467 174.700 0.010 0.000 1.043 39 T CA 1.395 63.513 62.100 0.030 0.000 1.140 39 T CB -0.224 68.670 68.868 0.042 0.000 0.872 39 T HN 0.507 nan 8.240 nan 0.000 0.446 40 E N 1.133 121.333 120.200 0.000 0.000 2.204 40 E HA 0.013 4.365 4.350 0.003 0.000 0.195 40 E C 1.994 178.596 176.600 0.003 0.000 0.990 40 E CA 1.095 57.501 56.400 0.011 0.000 0.821 40 E CB -0.300 29.413 29.700 0.022 0.000 0.750 40 E HN 0.453 nan 8.360 nan 0.000 0.477 41 M N -0.049 119.532 119.600 -0.033 0.000 2.236 41 M HA -0.089 4.393 4.480 0.003 0.000 0.266 41 M C 1.940 178.201 176.300 -0.066 0.000 1.070 41 M CA 1.724 56.986 55.300 -0.064 0.000 1.137 41 M CB -0.106 32.402 32.600 -0.153 0.000 1.378 41 M HN 0.180 nan 8.290 nan 0.000 0.426 42 E N -0.463 119.713 120.200 -0.041 0.000 2.371 42 E HA -0.095 4.256 4.350 0.003 0.000 0.194 42 E C 1.612 178.224 176.600 0.020 0.000 1.012 42 E CA 0.463 56.871 56.400 0.014 0.000 0.860 42 E CB -0.018 29.760 29.700 0.129 0.000 0.811 42 E HN 0.219 nan 8.360 nan 0.000 0.502 43 K N 1.165 121.575 120.400 0.016 0.000 2.025 43 K HA -0.086 4.236 4.320 0.003 0.000 0.207 43 K C 1.873 178.483 176.600 0.016 0.000 1.049 43 K CA 1.110 57.408 56.287 0.017 0.000 0.933 43 K CB -0.084 32.428 32.500 0.019 0.000 0.714 43 K HN 0.257 nan 8.250 nan 0.000 0.438 44 E N -0.485 119.724 120.200 0.016 0.000 2.338 44 E HA -0.060 4.292 4.350 0.003 0.000 0.197 44 E C 1.199 177.811 176.600 0.019 0.000 1.007 44 E CA 0.928 57.344 56.400 0.026 0.000 0.849 44 E CB 0.001 29.727 29.700 0.043 0.000 0.774 44 E HN 0.521 nan 8.360 nan 0.000 0.506 45 G N 1.284 110.085 108.800 0.002 0.000 2.176 45 G HA2 -0.240 3.722 3.960 0.003 0.000 0.232 45 G HA3 -0.240 3.722 3.960 0.003 0.000 0.232 45 G C 1.017 175.901 174.900 -0.026 0.000 0.986 45 G CA 0.389 45.489 45.100 -0.000 0.000 0.643 45 G HN 0.113 nan 8.290 nan 0.000 0.522 46 K N 0.124 120.479 120.400 -0.076 0.000 2.167 46 K HA 0.277 4.599 4.320 0.003 0.000 0.203 46 K C 1.650 178.117 176.600 -0.221 0.000 1.052 46 K CA 1.591 57.774 56.287 -0.174 0.000 0.956 46 K CB -0.043 32.261 32.500 -0.327 0.000 0.735 46 K HN 0.915 nan 8.250 nan 0.000 0.451 47 I N -3.786 116.673 120.570 -0.185 0.000 3.343 47 I HA 0.487 4.659 4.170 0.003 0.000 0.315 47 I C -1.059 175.078 176.117 0.033 0.000 1.153 47 I CA -1.063 60.151 61.300 -0.143 0.000 0.952 47 I CB 2.486 40.319 38.000 -0.278 0.000 1.287 47 I HN -0.322 nan 8.210 nan 0.000 0.472 48 S N 0.484 116.263 115.700 0.132 0.000 2.543 48 S HA 0.373 4.845 4.470 0.003 0.000 0.271 48 S C -1.098 173.480 174.600 -0.036 0.000 1.148 48 S CA -0.936 57.317 58.200 0.087 0.000 0.914 48 S CB 1.817 65.020 63.200 0.004 0.000 1.096 48 S HN 0.504 nan 8.310 nan 0.000 0.471 49 K N 2.613 122.845 120.400 -0.279 0.000 2.451 49 K HA 0.251 4.573 4.320 0.003 0.000 0.280 49 K C 0.282 176.711 176.600 -0.285 0.000 1.020 49 K CA 0.279 56.242 56.287 -0.540 0.000 1.008 49 K CB -0.003 32.212 32.500 -0.475 0.000 0.917 49 K HN 0.608 nan 8.250 nan 0.000 0.478 50 I N -1.944 118.460 120.570 -0.276 0.000 0.000 50 I HA 0.736 4.908 4.170 0.003 0.000 0.000 50 I C 0.097 176.110 176.117 -0.172 0.000 0.000 50 I CA -1.187 60.008 61.300 -0.175 0.000 0.000 50 I CB 2.013 39.936 38.000 -0.128 0.000 0.000 50 I HN 0.503 nan 8.210 nan 0.000 0.000 51 G N 1.266 109.991 108.800 -0.126 0.000 2.687 51 G HA2 0.612 4.573 3.960 0.003 0.000 0.301 51 G HA3 0.612 4.573 3.960 0.003 0.000 0.301 51 G C -2.901 171.943 174.900 -0.094 0.000 1.416 51 G CA -1.283 43.750 45.100 -0.113 0.000 1.005 51 G HN 0.535 nan 8.290 nan 0.000 0.509 52 P HA 0.060 nan 4.420 nan 0.000 0.257 52 P C 0.464 177.718 177.300 -0.076 0.000 1.189 52 P CA 0.324 63.373 63.100 -0.085 0.000 0.780 52 P CB 1.199 32.851 31.700 -0.079 0.000 0.772 53 E N 1.650 121.805 120.200 -0.076 0.000 2.208 53 E HA -0.098 4.254 4.350 0.003 0.000 0.193 53 E C 0.921 177.448 176.600 -0.122 0.000 0.988 53 E CA 0.201 56.550 56.400 -0.085 0.000 0.828 53 E CB -0.034 29.623 29.700 -0.071 0.000 0.763 53 E HN 0.449 nan 8.360 nan 0.000 0.478 54 N N 2.410 121.039 118.700 -0.119 0.000 2.418 54 N HA -0.045 4.697 4.740 0.003 0.000 0.277 54 N C -1.712 173.662 175.510 -0.227 0.000 1.317 54 N CA -0.750 52.205 53.050 -0.158 0.000 0.922 54 N CB 0.873 39.318 38.487 -0.070 0.000 1.194 54 N HN -0.011 nan 8.380 nan 0.000 0.485 55 P HA -0.013 nan 4.420 nan 0.000 0.245 55 P C -0.516 176.572 177.300 -0.354 0.000 1.212 55 P CA 0.505 63.363 63.100 -0.404 0.000 0.774 55 P CB 0.016 31.436 31.700 -0.467 0.000 0.999 56 Y N 0.795 121.122 120.300 0.046 0.000 2.335 56 Y HA 0.523 5.075 4.550 0.003 0.000 0.323 56 Y C 0.888 176.838 175.900 0.083 0.000 1.224 56 Y CA -0.787 57.362 58.100 0.082 0.000 1.241 56 Y CB 0.465 38.992 38.460 0.112 0.000 1.235 56 Y HN -0.143 nan 8.280 nan 0.000 0.492 57 N N -0.627 118.242 118.700 0.282 0.000 2.452 57 N HA 0.414 5.156 4.740 0.003 0.000 0.277 57 N C -1.898 173.739 175.510 0.212 0.000 1.078 57 N CA -0.425 52.756 53.050 0.218 0.000 0.947 57 N CB 1.507 40.086 38.487 0.153 0.000 1.655 57 N HN 0.545 nan 8.380 nan 0.000 0.490 58 T N 3.519 118.202 114.554 0.216 0.000 2.807 58 T HA 0.553 4.905 4.350 0.003 0.000 0.279 58 T C -2.685 172.082 174.700 0.112 0.000 0.993 58 T CA -1.097 61.083 62.100 0.133 0.000 0.970 58 T CB 1.828 70.733 68.868 0.062 0.000 0.950 58 T HN 0.356 nan 8.240 nan 0.000 0.441 59 P HA 0.265 nan 4.420 nan 0.000 0.269 59 P C -0.774 176.574 177.300 0.080 0.000 1.215 59 P CA -0.268 62.899 63.100 0.111 0.000 0.780 59 P CB 0.634 32.394 31.700 0.101 0.000 0.898 60 V N 2.477 122.494 119.914 0.172 0.000 3.019 60 V HA 0.639 4.761 4.120 0.003 0.000 0.317 60 V C -0.330 175.957 176.094 0.321 0.000 1.094 60 V CA -0.389 62.003 62.300 0.154 0.000 1.000 60 V CB 1.533 33.466 31.823 0.183 0.000 1.060 60 V HN 0.504 nan 8.190 nan 0.000 0.443 61 F N 0.250 120.207 119.950 0.013 0.000 2.688 61 F HA 0.724 5.252 4.527 0.003 0.000 0.308 61 F C -0.473 175.361 175.800 0.056 0.000 1.117 61 F CA -0.451 57.576 58.000 0.046 0.000 0.976 61 F CB 1.644 40.670 39.000 0.043 0.000 1.291 61 F HN 0.656 nan 8.300 nan 0.000 0.439 62 A N 4.994 127.695 122.820 -0.198 0.000 2.355 62 A HA 0.889 5.211 4.320 0.003 0.000 0.317 62 A C -1.726 175.999 177.584 0.235 0.000 1.094 62 A CA -0.523 51.528 52.037 0.024 0.000 0.764 62 A CB 1.046 19.944 19.000 -0.172 0.000 1.230 62 A HN 0.491 nan 8.150 nan 0.000 0.448 63 I N 0.838 121.651 120.570 0.405 0.000 2.785 63 I HA 0.410 4.582 4.170 0.003 0.000 0.302 63 I C -0.044 176.154 176.117 0.135 0.000 1.069 63 I CA -0.787 60.705 61.300 0.319 0.000 1.045 63 I CB 2.077 40.212 38.000 0.225 0.000 1.236 63 I HN 0.824 nan 8.210 nan 0.000 0.429 64 K N 3.607 123.881 120.400 -0.210 0.000 2.276 64 K HA 0.170 4.492 4.320 0.003 0.000 0.285 64 K C -0.267 176.182 176.600 -0.251 0.000 1.062 64 K CA -0.374 55.590 56.287 -0.538 0.000 0.918 64 K CB 0.608 32.705 32.500 -0.672 0.000 1.055 64 K HN 0.401 nan 8.250 nan 0.000 0.477 65 K N 4.015 124.284 120.400 -0.218 0.000 2.284 65 K HA 0.083 4.405 4.320 0.003 0.000 0.287 65 K C -0.345 176.182 176.600 -0.122 0.000 1.081 65 K CA 0.018 56.235 56.287 -0.117 0.000 0.910 65 K CB 0.573 33.032 32.500 -0.069 0.000 1.088 65 K HN 0.634 nan 8.250 nan 0.000 0.478 66 K N 2.172 122.517 120.400 -0.092 0.000 2.438 66 K HA 0.190 4.512 4.320 0.003 0.000 0.205 66 K C 0.133 176.683 176.600 -0.085 0.000 1.033 66 K CA -0.167 56.063 56.287 -0.095 0.000 1.089 66 K CB 0.587 33.052 32.500 -0.058 0.000 0.857 66 K HN 0.511 nan 8.250 nan 0.000 0.522 67 D N -0.129 120.220 120.400 -0.084 0.000 2.399 67 D HA 0.044 4.686 4.640 0.003 0.000 0.269 67 D C 0.103 176.348 176.300 -0.091 0.000 1.105 67 D CA 0.052 54.005 54.000 -0.079 0.000 0.844 67 D CB 0.784 41.552 40.800 -0.053 0.000 1.372 67 D HN 0.173 nan 8.370 nan 0.000 0.517 68 S N -0.283 115.362 115.700 -0.092 0.000 2.658 68 S HA 0.040 4.512 4.470 0.003 0.000 0.249 68 S C 1.216 175.732 174.600 -0.140 0.000 1.363 68 S CA 1.073 59.217 58.200 -0.092 0.000 0.964 68 S CB 0.701 63.855 63.200 -0.076 0.000 0.973 68 S HN 0.287 nan 8.310 nan 0.000 0.588 69 T N -1.045 113.435 114.554 -0.123 0.000 3.182 69 T HA 0.346 4.698 4.350 0.003 0.000 0.277 69 T C 0.078 174.678 174.700 -0.166 0.000 1.013 69 T CA -0.492 61.511 62.100 -0.161 0.000 0.900 69 T CB -0.160 68.663 68.868 -0.075 0.000 1.098 69 T HN 0.542 nan 8.240 nan 0.000 0.543 70 K N 0.428 120.738 120.400 -0.150 0.000 2.118 70 K HA 0.478 4.800 4.320 0.003 0.000 0.264 70 K C -1.146 175.352 176.600 -0.170 0.000 1.000 70 K CA -0.855 55.389 56.287 -0.070 0.000 0.929 70 K CB 0.832 33.322 32.500 -0.015 0.000 1.021 70 K HN 0.298 nan 8.250 nan 0.000 0.463 71 W N 1.578 122.880 121.300 0.003 0.000 2.578 71 W HA 0.512 5.174 4.660 0.003 0.000 0.364 71 W C -0.006 176.519 176.519 0.010 0.000 1.144 71 W CA -0.687 56.659 57.345 0.003 0.000 1.242 71 W CB 1.342 30.799 29.460 -0.005 0.000 1.382 71 W HN 0.333 nan 8.180 nan 0.000 0.625 72 R N 1.087 121.781 120.500 0.323 0.000 2.668 72 R HA 0.223 4.565 4.340 0.003 0.000 0.272 72 R C -1.225 175.186 176.300 0.184 0.000 1.019 72 R CA -1.236 54.982 56.100 0.196 0.000 0.894 72 R CB 2.419 32.795 30.300 0.126 0.000 1.228 72 R HN 0.372 nan 8.270 nan 0.000 0.460 73 K N 3.213 123.695 120.400 0.137 0.000 2.267 73 K HA 0.230 4.552 4.320 0.003 0.000 0.282 73 K C -0.941 175.726 176.600 0.112 0.000 1.078 73 K CA -0.468 55.882 56.287 0.106 0.000 0.903 73 K CB 0.453 32.992 32.500 0.066 0.000 1.111 73 K HN 0.207 nan 8.250 nan 0.000 0.475 74 L N 5.009 126.311 121.223 0.131 0.000 2.275 74 L HA 0.307 4.649 4.340 0.003 0.000 0.288 74 L C -0.528 176.361 176.870 0.032 0.000 1.046 74 L CA -0.469 54.436 54.840 0.109 0.000 0.805 74 L CB 1.618 43.772 42.059 0.157 0.000 1.193 74 L HN 0.308 nan 8.230 nan 0.000 0.426 75 V N 1.797 121.664 119.914 -0.077 0.000 2.547 75 V HA 0.289 4.411 4.120 0.003 0.000 0.299 75 V C -0.313 175.596 176.094 -0.309 0.000 1.040 75 V CA -0.746 61.366 62.300 -0.314 0.000 0.913 75 V CB 1.876 33.274 31.823 -0.709 0.000 0.992 75 V HN 0.698 nan 8.190 nan 0.000 0.449 76 D N 2.398 122.625 120.400 -0.288 0.000 2.500 76 D HA 0.325 4.967 4.640 0.003 0.000 0.219 76 D C 0.357 176.570 176.300 -0.145 0.000 1.137 76 D CA -0.206 53.700 54.000 -0.156 0.000 0.946 76 D CB 0.237 40.975 40.800 -0.104 0.000 1.022 76 D HN 0.369 nan 8.370 nan 0.000 0.518 77 F N 1.855 121.852 119.950 0.078 0.000 2.748 77 F HA 0.152 4.680 4.527 0.003 0.000 0.299 77 F C 2.258 178.127 175.800 0.114 0.000 1.154 77 F CA -0.121 57.951 58.000 0.120 0.000 1.446 77 F CB -0.208 38.898 39.000 0.177 0.000 1.112 77 F HN 0.290 nan 8.300 nan 0.000 0.584 78 R N 0.836 121.459 120.500 0.205 0.000 2.366 78 R HA -0.292 4.050 4.340 0.003 0.000 0.249 78 R C 2.051 178.436 176.300 0.142 0.000 1.064 78 R CA 2.434 58.612 56.100 0.130 0.000 0.925 78 R CB -0.426 29.911 30.300 0.062 0.000 0.952 78 R HN 0.157 nan 8.270 nan 0.000 0.444 79 E N -0.907 119.385 120.200 0.153 0.000 2.140 79 E HA -0.057 4.295 4.350 0.003 0.000 0.191 79 E C 1.886 178.591 176.600 0.174 0.000 0.973 79 E CA 0.727 57.210 56.400 0.138 0.000 0.829 79 E CB -0.287 29.483 29.700 0.116 0.000 0.781 79 E HN 0.283 nan 8.360 nan 0.000 0.466 80 L N 1.874 123.252 121.223 0.259 0.000 2.141 80 L HA -0.082 4.260 4.340 0.003 0.000 0.209 80 L C 1.484 178.553 176.870 0.331 0.000 1.094 80 L CA 1.368 56.381 54.840 0.287 0.000 0.763 80 L CB -0.524 41.770 42.059 0.392 0.000 0.908 80 L HN -0.063 nan 8.230 nan 0.000 0.437 81 N N 0.704 119.599 118.700 0.325 0.000 1.997 81 N HA -0.228 4.513 4.740 0.003 0.000 0.198 81 N C 1.703 177.300 175.510 0.144 0.000 1.063 81 N CA 1.934 55.116 53.050 0.219 0.000 0.860 81 N CB -0.450 38.132 38.487 0.158 0.000 1.063 81 N HN 0.327 nan 8.380 nan 0.000 0.424 82 K N 0.411 120.877 120.400 0.111 0.000 2.184 82 K HA -0.182 4.140 4.320 0.003 0.000 0.210 82 K C 1.737 178.377 176.600 0.067 0.000 1.048 82 K CA 1.481 57.811 56.287 0.072 0.000 0.931 82 K CB -0.193 32.345 32.500 0.064 0.000 0.718 82 K HN 0.241 nan 8.250 nan 0.000 0.465 83 R N 0.205 120.758 120.500 0.089 0.000 2.317 83 R HA 0.067 4.408 4.340 0.003 0.000 0.208 83 R C 0.156 176.501 176.300 0.075 0.000 0.914 83 R CA 0.137 56.270 56.100 0.054 0.000 1.060 83 R CB 0.540 30.852 30.300 0.020 0.000 1.015 83 R HN 0.039 nan 8.270 nan 0.000 0.498 84 T N 1.826 116.467 114.554 0.146 0.000 2.909 84 T HA 0.087 4.438 4.350 0.003 0.000 0.286 84 T C -0.014 174.696 174.700 0.016 0.000 1.002 84 T CA -0.683 61.530 62.100 0.188 0.000 1.074 84 T CB 1.501 70.598 68.868 0.382 0.000 0.984 84 T HN 0.226 nan 8.240 nan 0.000 0.495 85 Q N 1.843 121.585 119.800 -0.097 0.000 2.469 85 Q HA 0.048 4.390 4.340 0.003 0.000 0.279 85 Q C -0.852 174.915 176.000 -0.387 0.000 1.097 85 Q CA -0.209 55.433 55.803 -0.269 0.000 0.951 85 Q CB 0.296 28.788 28.738 -0.410 0.000 1.297 85 Q HN 0.396 nan 8.270 nan 0.000 0.465 86 D N 1.117 121.339 120.400 -0.297 0.000 2.372 86 D HA 0.258 4.900 4.640 0.003 0.000 0.243 86 D C -0.734 175.317 176.300 -0.415 0.000 1.121 86 D CA 0.104 53.973 54.000 -0.218 0.000 0.898 86 D CB 0.390 41.137 40.800 -0.089 0.000 1.202 86 D HN 0.368 nan 8.370 nan 0.000 0.428 87 F N -0.133 119.769 119.950 -0.080 0.000 2.585 87 F HA 0.340 4.869 4.527 0.003 0.000 0.350 87 F C 0.728 176.575 175.800 0.078 0.000 1.074 87 F CA -1.129 56.853 58.000 -0.031 0.000 1.032 87 F CB 0.774 39.703 39.000 -0.118 0.000 1.330 87 F HN 0.248 nan 8.300 nan 0.000 0.495 88 W N 1.555 122.929 121.300 0.123 0.000 2.126 88 W HA 0.135 4.796 4.660 0.002 0.000 0.346 88 W C -0.259 176.286 176.519 0.043 0.000 1.279 88 W CA -0.728 56.648 57.345 0.052 0.000 1.259 88 W CB 0.785 30.266 29.460 0.034 0.000 1.133 88 W HN 0.375 nan 8.180 nan 0.000 0.592 89 E N 2.533 122.091 120.200 -1.071 0.000 2.417 89 E HA -0.091 4.261 4.350 0.003 0.000 0.261 89 E C 0.958 177.291 176.600 -0.445 0.000 1.000 89 E CA 0.114 56.050 56.400 -0.773 0.000 0.919 89 E CB 1.210 30.336 29.700 -0.957 0.000 0.955 89 E HN 0.491 nan 8.360 nan 0.000 0.455 90 V N 2.832 122.614 119.914 -0.222 0.000 2.392 90 V HA -0.218 3.904 4.120 0.003 0.000 0.249 90 V C 0.448 176.505 176.094 -0.063 0.000 1.059 90 V CA 2.259 64.496 62.300 -0.105 0.000 1.051 90 V CB -0.013 31.752 31.823 -0.098 0.000 0.658 90 V HN 0.741 nan 8.190 nan 0.000 0.455 91 Q N -0.581 119.167 119.800 -0.088 0.000 2.507 91 Q HA 0.385 4.726 4.340 0.003 0.000 0.242 91 Q C -1.848 174.139 176.000 -0.022 0.000 0.911 91 Q CA -0.213 55.584 55.803 -0.010 0.000 1.019 91 Q CB 0.951 29.729 28.738 0.068 0.000 1.523 91 Q HN 0.423 nan 8.270 nan 0.000 0.459 92 L N 3.759 124.970 121.223 -0.021 0.000 2.276 92 L HA 0.936 5.277 4.340 0.003 0.000 0.286 92 L C 0.430 177.327 176.870 0.044 0.000 1.024 92 L CA -0.178 54.650 54.840 -0.021 0.000 0.826 92 L CB 1.232 43.249 42.059 -0.069 0.000 1.211 92 L HN 0.902 nan 8.230 nan 0.000 0.422 93 G N 3.652 112.490 108.800 0.062 0.000 2.785 93 G HA2 -0.097 3.865 3.960 0.003 0.000 0.686 93 G HA3 -0.097 3.865 3.960 0.003 0.000 0.686 93 G C -1.128 173.858 174.900 0.142 0.000 1.155 93 G CA -0.456 44.695 45.100 0.084 0.000 0.760 93 G HN 0.783 nan 8.290 nan 0.000 0.624 94 I N 0.107 120.766 120.570 0.148 0.000 2.740 94 I HA 0.868 5.040 4.170 0.003 0.000 0.303 94 I C -2.142 174.035 176.117 0.100 0.000 1.044 94 I CA -2.941 58.487 61.300 0.213 0.000 1.064 94 I CB 1.798 39.962 38.000 0.273 0.000 1.249 94 I HN 0.417 nan 8.210 nan 0.000 0.433 95 P HA 0.077 nan 4.420 nan 0.000 0.265 95 P C -0.954 176.265 177.300 -0.136 0.000 1.193 95 P CA 0.264 63.292 63.100 -0.120 0.000 0.765 95 P CB 0.202 31.670 31.700 -0.387 0.000 0.823 96 H N 4.536 123.425 119.070 -0.302 0.000 2.548 96 H HA 0.119 4.677 4.556 0.002 0.000 0.331 96 H C -1.586 173.406 175.328 -0.559 0.000 1.093 96 H CA -1.871 53.899 56.048 -0.464 0.000 1.367 96 H CB 1.139 30.634 29.762 -0.444 0.000 1.455 96 H HN 0.234 nan 8.280 nan 0.000 0.519 97 P HA -0.175 nan 4.420 nan 0.000 0.215 97 P C 1.117 178.161 177.300 -0.426 0.000 1.163 97 P CA 2.230 64.853 63.100 -0.795 0.000 0.894 97 P CB -0.089 30.705 31.700 -1.509 0.000 0.791 98 A N -0.563 122.032 122.820 -0.374 0.000 2.194 98 A HA -0.102 4.219 4.320 0.003 0.000 0.220 98 A C 2.251 180.045 177.584 0.350 0.000 1.162 98 A CA 1.855 54.012 52.037 0.201 0.000 0.674 98 A CB -1.698 17.540 19.000 0.397 0.000 0.789 98 A HN 0.347 nan 8.150 nan 0.000 0.470 99 G N -1.122 107.682 108.800 0.007 0.000 2.880 99 G HA2 0.335 4.296 3.960 0.003 0.000 0.209 99 G HA3 0.335 4.296 3.960 0.003 0.000 0.209 99 G C 0.483 175.453 174.900 0.115 0.000 1.157 99 G CA -0.276 44.772 45.100 -0.088 0.000 0.779 99 G HN 0.412 nan 8.290 nan 0.000 0.539 100 L N 1.097 122.396 121.223 0.127 0.000 2.380 100 L HA 0.279 4.620 4.340 0.003 0.000 0.273 100 L C 0.183 177.113 176.870 0.100 0.000 1.138 100 L CA -0.401 54.442 54.840 0.006 0.000 0.832 100 L CB 1.156 43.071 42.059 -0.239 0.000 1.124 100 L HN -0.033 nan 8.230 nan 0.000 0.454 101 K N 3.406 123.833 120.400 0.046 0.000 2.322 101 K HA 0.152 4.474 4.320 0.003 0.000 0.283 101 K C -0.031 176.487 176.600 -0.136 0.000 1.042 101 K CA -0.563 55.748 56.287 0.041 0.000 0.958 101 K CB 0.856 33.385 32.500 0.048 0.000 0.984 101 K HN 0.381 nan 8.250 nan 0.000 0.473 102 K N 2.775 123.137 120.400 -0.063 0.000 2.527 102 K HA -0.064 4.257 4.320 0.003 0.000 0.278 102 K C -0.473 176.090 176.600 -0.062 0.000 0.981 102 K CA 0.671 56.913 56.287 -0.074 0.000 1.009 102 K CB 0.479 33.048 32.500 0.115 0.000 0.895 102 K HN 0.292 nan 8.250 nan 0.000 0.493 103 K N 3.602 123.963 120.400 -0.066 0.000 2.422 103 K HA 0.184 4.506 4.320 0.003 0.000 0.251 103 K C 0.378 176.962 176.600 -0.028 0.000 0.933 103 K CA -0.599 55.662 56.287 -0.043 0.000 0.798 103 K CB 1.743 34.210 32.500 -0.055 0.000 1.238 103 K HN 0.502 nan 8.250 nan 0.000 0.428 104 K N 0.458 120.839 120.400 -0.032 0.000 2.097 104 K HA 0.013 4.334 4.320 0.003 0.000 0.206 104 K C 0.094 176.632 176.600 -0.104 0.000 1.049 104 K CA 1.053 57.315 56.287 -0.043 0.000 0.933 104 K CB 0.163 32.644 32.500 -0.032 0.000 0.717 104 K HN 0.335 nan 8.250 nan 0.000 0.442 105 S N 0.504 116.092 115.700 -0.187 0.000 2.594 105 S HA 0.405 4.877 4.470 0.003 0.000 0.296 105 S C -0.948 173.428 174.600 -0.373 0.000 1.124 105 S CA -0.874 57.037 58.200 -0.481 0.000 1.011 105 S CB 2.515 65.113 63.200 -1.003 0.000 1.016 105 S HN -0.133 nan 8.310 nan 0.000 0.485 106 V N 2.850 122.639 119.914 -0.207 0.000 2.638 106 V HA 0.700 4.822 4.120 0.003 0.000 0.306 106 V C -0.510 175.683 176.094 0.165 0.000 1.052 106 V CA -0.499 61.825 62.300 0.041 0.000 0.885 106 V CB 2.140 34.050 31.823 0.146 0.000 0.999 106 V HN 0.928 nan 8.190 nan 0.000 0.424 107 T N 3.316 117.978 114.554 0.180 0.000 2.921 107 T HA 0.500 4.851 4.350 0.003 0.000 0.297 107 T C -0.503 174.154 174.700 -0.071 0.000 1.013 107 T CA -0.567 61.597 62.100 0.107 0.000 0.990 107 T CB 1.793 70.759 68.868 0.163 0.000 1.023 107 T HN 0.736 nan 8.240 nan 0.000 0.447 108 V N 2.432 122.245 119.914 -0.169 0.000 2.465 108 V HA 0.754 4.876 4.120 0.003 0.000 0.279 108 V C -0.612 175.345 176.094 -0.229 0.000 1.045 108 V CA -0.669 61.458 62.300 -0.288 0.000 0.938 108 V CB 0.560 32.189 31.823 -0.323 0.000 0.986 108 V HN 0.777 nan 8.190 nan 0.000 0.467 109 L N 4.161 125.194 121.223 -0.317 0.000 2.346 109 L HA 0.655 4.997 4.340 0.003 0.000 0.276 109 L C -0.876 175.848 176.870 -0.244 0.000 1.006 109 L CA -0.393 54.313 54.840 -0.223 0.000 0.817 109 L CB 2.047 43.989 42.059 -0.195 0.000 1.272 109 L HN 0.898 nan 8.230 nan 0.000 0.421 110 D N 2.283 122.593 120.400 -0.150 0.000 2.440 110 D HA 0.357 4.999 4.640 0.003 0.000 0.252 110 D C -0.643 175.608 176.300 -0.081 0.000 1.180 110 D CA -0.410 53.515 54.000 -0.126 0.000 0.894 110 D CB 1.570 42.314 40.800 -0.092 0.000 1.111 110 D HN 0.082 nan 8.370 nan 0.000 0.544 111 V N 2.882 122.759 119.914 -0.062 0.000 2.788 111 V HA 0.416 4.538 4.120 0.003 0.000 0.307 111 V C 1.379 177.444 176.094 -0.048 0.000 1.069 111 V CA 0.389 62.683 62.300 -0.011 0.000 1.173 111 V CB 1.053 32.935 31.823 0.099 0.000 0.925 111 V HN 0.685 nan 8.190 nan 0.000 0.492 112 G N 1.395 110.183 108.800 -0.020 0.000 2.388 112 G HA2 0.537 4.498 3.960 0.003 0.000 0.330 112 G HA3 0.537 4.498 3.960 0.003 0.000 0.330 112 G C -0.298 174.585 174.900 -0.028 0.000 1.142 112 G CA -0.490 44.585 45.100 -0.042 0.000 0.908 112 G HN 0.898 nan 8.290 nan 0.000 0.473 113 D N 0.070 120.423 120.400 -0.078 0.000 2.733 113 D HA -0.262 4.380 4.640 0.003 0.000 0.232 113 D C 1.781 178.059 176.300 -0.037 0.000 1.161 113 D CA 1.002 54.954 54.000 -0.080 0.000 0.653 113 D CB -0.711 40.114 40.800 0.042 0.000 1.052 113 D HN 0.661 nan 8.370 nan 0.000 0.424 114 A N -0.362 122.371 122.820 -0.145 0.000 1.884 114 A HA -0.305 4.017 4.320 0.003 0.000 0.219 114 A C 1.796 179.491 177.584 0.186 0.000 1.197 114 A CA 1.560 53.557 52.037 -0.067 0.000 0.637 114 A CB -0.614 17.998 19.000 -0.647 0.000 0.827 114 A HN 0.466 nan 8.150 nan 0.000 0.450 115 Y N -1.320 118.923 120.300 -0.094 0.000 2.242 115 Y HA -0.066 4.486 4.550 0.003 0.000 0.291 115 Y C 2.145 178.288 175.900 0.405 0.000 1.137 115 Y CA 0.191 58.364 58.100 0.123 0.000 1.181 115 Y CB -1.016 37.456 38.460 0.020 0.000 0.989 115 Y HN 0.439 nan 8.280 nan 0.000 0.527 116 F N -0.949 119.156 119.950 0.259 0.000 2.710 116 F HA -0.073 4.456 4.527 0.003 0.000 0.298 116 F C 1.723 177.632 175.800 0.182 0.000 1.137 116 F CA 0.205 58.333 58.000 0.213 0.000 1.444 116 F CB 0.037 39.139 39.000 0.169 0.000 1.111 116 F HN -0.110 nan 8.300 nan 0.000 0.580 117 S N -0.077 115.851 115.700 0.380 0.000 2.631 117 S HA 0.117 4.588 4.470 0.003 0.000 0.217 117 S C 0.229 174.986 174.600 0.262 0.000 0.958 117 S CA 0.115 58.482 58.200 0.278 0.000 0.920 117 S CB 0.035 63.385 63.200 0.250 0.000 0.776 117 S HN -0.083 nan 8.310 nan 0.000 0.517 118 V N 4.091 124.179 119.914 0.290 0.000 2.483 118 V HA 0.368 4.490 4.120 0.003 0.000 0.297 118 V C -2.485 173.721 176.094 0.186 0.000 1.027 118 V CA -2.388 60.048 62.300 0.227 0.000 0.855 118 V CB 2.021 33.995 31.823 0.252 0.000 0.995 118 V HN 0.028 nan 8.190 nan 0.000 0.424 119 P HA 0.080 nan 4.420 nan 0.000 0.267 119 P C -0.574 176.790 177.300 0.107 0.000 1.200 119 P CA 0.044 63.213 63.100 0.116 0.000 0.772 119 P CB 1.289 33.050 31.700 0.101 0.000 0.855 120 L N 2.109 123.389 121.223 0.095 0.000 2.343 120 L HA 0.292 4.633 4.340 0.003 0.000 0.275 120 L C 0.453 177.378 176.870 0.092 0.000 1.056 120 L CA -0.740 54.145 54.840 0.076 0.000 0.804 120 L CB 1.238 43.327 42.059 0.049 0.000 1.203 120 L HN 0.316 nan 8.230 nan 0.000 0.440 121 D N 2.587 123.050 120.400 0.105 0.000 2.502 121 D HA -0.134 4.508 4.640 0.003 0.000 0.249 121 D C 1.096 177.480 176.300 0.140 0.000 1.188 121 D CA 0.649 54.725 54.000 0.127 0.000 0.890 121 D CB 0.873 41.762 40.800 0.148 0.000 1.140 121 D HN 0.632 nan 8.370 nan 0.000 0.505 122 E N 2.654 122.912 120.200 0.096 0.000 2.097 122 E HA -0.276 4.076 4.350 0.003 0.000 0.196 122 E C 0.662 177.297 176.600 0.058 0.000 1.000 122 E CA 1.668 58.108 56.400 0.066 0.000 0.804 122 E CB 0.144 29.874 29.700 0.050 0.000 0.740 122 E HN 0.529 nan 8.360 nan 0.000 0.454 123 D N -0.842 119.612 120.400 0.090 0.000 2.350 123 D HA -0.103 4.539 4.640 0.003 0.000 0.216 123 D C 0.947 177.297 176.300 0.084 0.000 0.968 123 D CA 0.568 54.616 54.000 0.080 0.000 0.894 123 D CB -0.087 40.784 40.800 0.119 0.000 0.909 123 D HN 0.270 nan 8.370 nan 0.000 0.520 124 F N 0.386 120.316 119.950 -0.033 0.000 2.717 124 F HA 0.231 4.760 4.527 0.003 0.000 0.297 124 F C 1.815 177.526 175.800 -0.148 0.000 1.113 124 F CA -0.107 57.882 58.000 -0.019 0.000 1.319 124 F CB 0.326 39.358 39.000 0.053 0.000 1.097 124 F HN -0.281 nan 8.300 nan 0.000 0.595 125 R N 1.056 121.502 120.500 -0.089 0.000 2.127 125 R HA -0.209 4.133 4.340 0.003 0.000 0.238 125 R C 2.193 178.365 176.300 -0.213 0.000 1.134 125 R CA 1.851 57.892 56.100 -0.099 0.000 0.975 125 R CB -0.493 29.802 30.300 -0.010 0.000 0.865 125 R HN 0.356 nan 8.270 nan 0.000 0.447 126 K N -0.049 120.135 120.400 -0.360 0.000 2.218 126 K HA -0.200 4.122 4.320 0.003 0.000 0.205 126 K C 0.872 177.243 176.600 -0.382 0.000 1.046 126 K CA 1.649 57.727 56.287 -0.348 0.000 0.933 126 K CB -0.231 32.014 32.500 -0.425 0.000 0.728 126 K HN 0.219 nan 8.250 nan 0.000 0.454 127 Y N 1.748 121.775 120.300 -0.455 0.000 2.511 127 Y HA 0.042 4.593 4.550 0.003 0.000 0.279 127 Y C 2.121 177.870 175.900 -0.251 0.000 1.157 127 Y CA 0.869 58.603 58.100 -0.610 0.000 1.300 127 Y CB -0.017 37.845 38.460 -0.997 0.000 1.052 127 Y HN 0.344 nan 8.280 nan 0.000 0.529 128 T N -2.863 111.678 114.554 -0.022 0.000 3.107 128 T HA 0.386 4.737 4.350 0.003 0.000 0.249 128 T C 1.041 175.994 174.700 0.422 0.000 1.096 128 T CA 0.080 62.319 62.100 0.233 0.000 1.012 128 T CB -0.441 68.559 68.868 0.220 0.000 0.977 128 T HN 0.176 nan 8.240 nan 0.000 0.527 129 A N 2.141 125.125 122.820 0.273 0.000 2.563 129 A HA 0.461 4.783 4.320 0.003 0.000 0.256 129 A C 0.105 177.880 177.584 0.319 0.000 1.056 129 A CA -0.316 51.862 52.037 0.236 0.000 0.775 129 A CB -1.060 18.037 19.000 0.162 0.000 0.973 129 A HN 0.715 nan 8.150 nan 0.000 0.516 130 F N 0.706 120.760 119.950 0.173 0.000 2.661 130 F HA 0.915 5.444 4.527 0.003 0.000 0.347 130 F C -0.067 175.814 175.800 0.135 0.000 1.086 130 F CA -0.951 57.135 58.000 0.142 0.000 1.016 130 F CB 1.480 40.560 39.000 0.133 0.000 1.368 130 F HN 0.349 nan 8.300 nan 0.000 0.505 131 T N 1.472 116.154 114.554 0.212 0.000 3.109 131 T HA 0.561 4.912 4.350 0.003 0.000 0.311 131 T C -1.339 173.458 174.700 0.161 0.000 1.011 131 T CA -0.433 61.710 62.100 0.071 0.000 1.026 131 T CB 0.611 69.512 68.868 0.054 0.000 1.047 131 T HN 0.650 nan 8.240 nan 0.000 0.448 132 I N 7.947 128.590 120.570 0.121 0.000 2.325 132 I HA 0.354 4.526 4.170 0.003 0.000 0.291 132 I C -1.785 174.363 176.117 0.051 0.000 1.019 132 I CA -2.236 59.134 61.300 0.117 0.000 1.302 132 I CB 1.494 39.566 38.000 0.119 0.000 1.401 132 I HN 0.423 nan 8.210 nan 0.000 0.485 133 P HA 0.071 nan 4.420 nan 0.000 0.272 133 P C -0.351 176.939 177.300 -0.016 0.000 1.223 133 P CA -0.305 62.799 63.100 0.006 0.000 0.784 133 P CB 0.803 32.502 31.700 -0.001 0.000 0.923 134 S N 1.832 117.516 115.700 -0.028 0.000 2.645 134 S HA 0.352 4.823 4.470 0.003 0.000 0.266 134 S C 0.684 175.257 174.600 -0.045 0.000 1.258 134 S CA -0.851 57.327 58.200 -0.036 0.000 0.990 134 S CB 0.021 63.199 63.200 -0.036 0.000 0.967 134 S HN 0.324 nan 8.310 nan 0.000 0.556 135 I N 2.073 122.616 120.570 -0.045 0.000 2.710 135 I HA -0.016 4.155 4.170 0.003 0.000 0.286 135 I C 0.753 176.838 176.117 -0.053 0.000 1.181 135 I CA 0.097 61.367 61.300 -0.050 0.000 1.430 135 I CB -0.372 37.602 38.000 -0.043 0.000 1.367 135 I HN 0.701 nan 8.210 nan 0.000 0.577 136 N N 4.144 122.807 118.700 -0.062 0.000 2.666 136 N HA -0.261 4.481 4.740 0.003 0.000 0.248 136 N C -0.046 175.417 175.510 -0.079 0.000 1.118 136 N CA 0.920 53.927 53.050 -0.072 0.000 0.722 136 N CB -1.139 37.314 38.487 -0.057 0.000 1.050 136 N HN 0.752 nan 8.380 nan 0.000 0.550 137 N N -0.193 118.461 118.700 -0.077 0.000 2.607 137 N HA -0.200 4.541 4.740 0.003 0.000 0.285 137 N C 0.529 176.003 175.510 -0.060 0.000 1.151 137 N CA 1.355 54.362 53.050 -0.072 0.000 0.749 137 N CB -0.461 37.967 38.487 -0.098 0.000 0.923 137 N HN 0.656 nan 8.380 nan 0.000 0.552 138 E N -1.346 118.825 120.200 -0.048 0.000 2.441 138 E HA 0.090 4.442 4.350 0.003 0.000 0.207 138 E C 0.268 176.846 176.600 -0.037 0.000 0.803 138 E CA 0.635 57.010 56.400 -0.041 0.000 1.240 138 E CB 0.436 30.113 29.700 -0.039 0.000 1.233 138 E HN 0.639 nan 8.360 nan 0.000 0.590 139 T N -0.527 114.005 114.554 -0.036 0.000 2.949 139 T HA 0.509 4.861 4.350 0.003 0.000 0.287 139 T C -2.756 171.922 174.700 -0.037 0.000 1.034 139 T CA -2.212 59.867 62.100 -0.035 0.000 1.018 139 T CB 1.355 70.202 68.868 -0.035 0.000 1.135 139 T HN -0.272 nan 8.240 nan 0.000 0.532 140 P HA 0.251 nan 4.420 nan 0.000 0.261 140 P C 0.576 177.849 177.300 -0.046 0.000 1.183 140 P CA 0.183 63.257 63.100 -0.043 0.000 0.761 140 P CB -0.106 31.564 31.700 -0.049 0.000 0.785 141 G N 3.117 111.892 108.800 -0.041 0.000 2.621 141 G HA2 0.384 4.346 3.960 0.003 0.000 0.271 141 G HA3 0.384 4.346 3.960 0.003 0.000 0.271 141 G C -0.239 174.622 174.900 -0.064 0.000 1.236 141 G CA -0.786 44.292 45.100 -0.037 0.000 0.958 141 G HN 0.443 nan 8.290 nan 0.000 0.512 142 I N 0.350 120.886 120.570 -0.057 0.000 2.395 142 I HA 0.323 4.494 4.170 0.003 0.000 0.289 142 I C 0.272 176.292 176.117 -0.162 0.000 1.023 142 I CA -0.214 61.011 61.300 -0.124 0.000 1.350 142 I CB 0.960 38.929 38.000 -0.051 0.000 1.409 142 I HN 0.161 nan 8.210 nan 0.000 0.507 143 R N 6.275 126.586 120.500 -0.315 0.000 2.451 143 R HA 0.504 4.846 4.340 0.003 0.000 0.307 143 R C -1.498 174.513 176.300 -0.481 0.000 0.965 143 R CA -0.805 55.108 56.100 -0.313 0.000 0.865 143 R CB 1.762 31.941 30.300 -0.202 0.000 1.174 143 R HN 0.508 nan 8.270 nan 0.000 0.455 144 Y N 0.943 120.857 120.300 -0.644 0.000 2.587 144 Y HA 0.308 4.860 4.550 0.003 0.000 0.337 144 Y C 0.541 176.202 175.900 -0.398 0.000 1.065 144 Y CA -0.820 56.939 58.100 -0.568 0.000 1.126 144 Y CB 2.075 40.102 38.460 -0.722 0.000 1.279 144 Y HN 0.435 nan 8.280 nan 0.000 0.489 145 Q N 0.007 119.819 119.800 0.022 0.000 2.423 145 Q HA 0.479 4.820 4.340 0.003 0.000 0.278 145 Q C -2.005 174.078 176.000 0.137 0.000 1.097 145 Q CA -1.065 54.820 55.803 0.138 0.000 0.809 145 Q CB 1.862 30.641 28.738 0.068 0.000 1.391 145 Q HN 0.673 nan 8.270 nan 0.000 0.428 146 Y N 1.437 121.828 120.300 0.151 0.000 2.336 146 Y HA 0.127 4.679 4.550 0.003 0.000 0.331 146 Y C 1.022 176.927 175.900 0.008 0.000 1.211 146 Y CA 0.359 58.497 58.100 0.064 0.000 1.346 146 Y CB 0.867 39.347 38.460 0.034 0.000 1.271 146 Y HN 0.732 nan 8.280 nan 0.000 0.538 147 N N 0.668 119.439 118.700 0.119 0.000 2.463 147 N HA 0.034 4.776 4.740 0.003 0.000 0.183 147 N C 0.071 175.642 175.510 0.101 0.000 1.064 147 N CA 0.534 53.633 53.050 0.081 0.000 0.879 147 N CB 0.384 38.895 38.487 0.039 0.000 1.148 147 N HN 0.403 nan 8.380 nan 0.000 0.451 148 V N -0.881 119.107 119.914 0.123 0.000 3.406 148 V HA 0.503 4.625 4.120 0.003 0.000 0.305 148 V C 0.292 176.484 176.094 0.163 0.000 1.136 148 V CA -1.039 61.349 62.300 0.147 0.000 1.011 148 V CB 0.601 32.509 31.823 0.142 0.000 1.221 148 V HN -0.103 nan 8.190 nan 0.000 0.454 149 L N 1.987 123.333 121.223 0.205 0.000 2.369 149 L HA 0.407 4.749 4.340 0.003 0.000 0.279 149 L C -2.314 174.671 176.870 0.193 0.000 1.108 149 L CA -1.399 53.521 54.840 0.135 0.000 0.852 149 L CB 0.412 42.534 42.059 0.105 0.000 1.169 149 L HN 0.474 nan 8.230 nan 0.000 0.452 150 P HA 0.038 nan 4.420 nan 0.000 0.276 150 P C -0.587 176.818 177.300 0.175 0.000 1.235 150 P CA -0.465 62.533 63.100 -0.170 0.000 0.772 150 P CB 0.473 31.661 31.700 -0.852 0.000 0.871 151 Q N 2.121 122.177 119.800 0.427 0.000 2.269 151 Q HA 0.109 4.450 4.340 0.003 0.000 0.300 151 Q C 1.528 177.718 176.000 0.316 0.000 1.070 151 Q CA 1.928 57.938 55.803 0.345 0.000 0.957 151 Q CB -0.213 28.649 28.738 0.207 0.000 1.131 151 Q HN 0.916 nan 8.270 nan 0.000 0.377 152 G N 3.123 112.067 108.800 0.240 0.000 2.195 152 G HA2 -0.271 3.691 3.960 0.003 0.000 0.246 152 G HA3 -0.271 3.691 3.960 0.003 0.000 0.246 152 G C -0.288 174.743 174.900 0.219 0.000 0.984 152 G CA 0.096 45.343 45.100 0.246 0.000 0.633 152 G HN 0.618 nan 8.290 nan 0.000 0.525 153 W N 1.829 122.980 121.300 -0.249 0.000 2.202 153 W HA 0.613 5.275 4.660 0.003 0.000 0.332 153 W C 1.404 177.756 176.519 -0.280 0.000 1.263 153 W CA -0.243 56.816 57.345 -0.477 0.000 1.223 153 W CB 0.911 29.883 29.460 -0.814 0.000 1.128 153 W HN 0.104 nan 8.180 nan 0.000 0.573 154 K N 2.621 122.485 120.400 -0.893 0.000 2.074 154 K HA -0.140 4.182 4.320 0.003 0.000 0.209 154 K C 1.938 177.814 176.600 -1.208 0.000 1.048 154 K CA 2.285 58.082 56.287 -0.817 0.000 0.926 154 K CB -0.685 31.492 32.500 -0.538 0.000 0.713 154 K HN 0.700 nan 8.250 nan 0.000 0.444 155 G N -1.060 106.310 108.800 -2.384 0.000 2.813 155 G HA2 -0.074 3.888 3.960 0.003 0.000 0.209 155 G HA3 -0.074 3.888 3.960 0.003 0.000 0.209 155 G C 1.172 175.250 174.900 -1.370 0.000 1.150 155 G CA 0.374 43.965 45.100 -2.516 0.000 0.785 155 G HN 0.269 nan 8.290 nan 0.000 0.535 156 S N 1.465 116.628 115.700 -0.896 0.000 2.357 156 S HA -0.030 4.442 4.470 0.003 0.000 0.221 156 S C 0.196 174.398 174.600 -0.663 0.000 1.031 156 S CA 1.209 58.998 58.200 -0.684 0.000 0.982 156 S CB -0.528 62.131 63.200 -0.901 0.000 0.853 156 S HN 0.349 nan 8.310 nan 0.000 0.458 157 P HA 0.002 nan 4.420 nan 0.000 0.218 157 P C 1.224 178.454 177.300 -0.118 0.000 1.149 157 P CA 1.314 64.326 63.100 -0.146 0.000 0.817 157 P CB -0.088 31.559 31.700 -0.089 0.000 0.785 158 A N 0.361 123.009 122.820 -0.286 0.000 1.855 158 A HA -0.114 4.208 4.320 0.003 0.000 0.215 158 A C 2.379 179.871 177.584 -0.152 0.000 1.191 158 A CA 1.352 53.259 52.037 -0.217 0.000 0.613 158 A CB -1.483 17.318 19.000 -0.332 0.000 0.829 158 A HN 0.088 nan 8.150 nan 0.000 0.442 159 I N -1.732 118.688 120.570 -0.250 0.000 2.315 159 I HA -0.201 3.971 4.170 0.003 0.000 0.248 159 I C 2.393 178.486 176.117 -0.040 0.000 1.117 159 I CA 1.466 62.688 61.300 -0.130 0.000 1.404 159 I CB -0.401 37.517 38.000 -0.138 0.000 1.071 159 I HN 0.459 nan 8.210 nan 0.000 0.419 160 F N 2.024 121.907 119.950 -0.112 0.000 2.075 160 F HA -0.283 4.245 4.527 0.002 0.000 0.297 160 F C 2.646 178.435 175.800 -0.019 0.000 1.113 160 F CA 1.756 59.752 58.000 -0.007 0.000 1.218 160 F CB -0.284 38.792 39.000 0.128 0.000 0.984 160 F HN -0.058 nan 8.300 nan 0.000 0.472 161 Q N 0.396 120.250 119.800 0.090 0.000 2.077 161 Q HA -0.218 4.123 4.340 0.003 0.000 0.206 161 Q C 2.640 178.552 176.000 -0.147 0.000 0.989 161 Q CA 2.091 57.881 55.803 -0.022 0.000 0.853 161 Q CB -1.102 27.665 28.738 0.048 0.000 0.907 161 Q HN 0.491 nan 8.270 nan 0.000 0.418 162 S N -0.957 114.682 115.700 -0.101 0.000 2.359 162 S HA -0.158 4.314 4.470 0.003 0.000 0.224 162 S C 2.048 176.550 174.600 -0.164 0.000 1.035 162 S CA 1.654 59.798 58.200 -0.093 0.000 1.018 162 S CB -0.294 62.880 63.200 -0.043 0.000 0.876 162 S HN 0.404 nan 8.310 nan 0.000 0.448 163 S N 1.220 116.787 115.700 -0.222 0.000 2.368 163 S HA -0.069 4.403 4.470 0.003 0.000 0.225 163 S C 1.799 176.187 174.600 -0.352 0.000 1.030 163 S CA 1.589 59.636 58.200 -0.255 0.000 0.999 163 S CB -0.455 62.607 63.200 -0.230 0.000 0.844 163 S HN 0.669 nan 8.310 nan 0.000 0.459 164 M N 1.651 120.947 119.600 -0.507 0.000 2.374 164 M HA -0.021 4.460 4.480 0.003 0.000 0.264 164 M C 1.668 177.784 176.300 -0.308 0.000 1.067 164 M CA 1.384 56.408 55.300 -0.460 0.000 1.103 164 M CB -0.859 31.407 32.600 -0.558 0.000 1.402 164 M HN 0.080 nan 8.290 nan 0.000 0.444 165 T N -0.003 114.402 114.554 -0.248 0.000 2.894 165 T HA -0.003 4.349 4.350 0.003 0.000 0.258 165 T C 1.701 176.290 174.700 -0.184 0.000 1.043 165 T CA 1.219 63.212 62.100 -0.177 0.000 1.141 165 T CB 0.019 68.818 68.868 -0.114 0.000 0.873 165 T HN 0.401 nan 8.240 nan 0.000 0.449 166 K N 0.715 120.993 120.400 -0.203 0.000 2.147 166 K HA 0.096 4.418 4.320 0.003 0.000 0.205 166 K C 1.964 178.369 176.600 -0.324 0.000 1.049 166 K CA 0.981 57.138 56.287 -0.217 0.000 0.936 166 K CB -0.160 32.219 32.500 -0.202 0.000 0.722 166 K HN 0.326 nan 8.250 nan 0.000 0.446 167 I N 0.503 120.827 120.570 -0.410 0.000 2.500 167 I HA -0.203 3.969 4.170 0.003 0.000 0.252 167 I C 1.798 177.629 176.117 -0.477 0.000 1.142 167 I CA 0.890 61.838 61.300 -0.587 0.000 1.451 167 I CB 0.003 37.675 38.000 -0.546 0.000 1.093 167 I HN 0.093 nan 8.210 nan 0.000 0.430 168 L N 0.391 121.406 121.223 -0.346 0.000 2.313 168 L HA -0.127 4.215 4.340 0.003 0.000 0.214 168 L C 2.517 179.298 176.870 -0.149 0.000 1.119 168 L CA 0.749 55.417 54.840 -0.286 0.000 0.809 168 L CB -0.438 41.495 42.059 -0.211 0.000 0.933 168 L HN 0.307 nan 8.230 nan 0.000 0.449 169 E N 1.211 121.329 120.200 -0.136 0.000 2.049 169 E HA -0.242 4.110 4.350 0.003 0.000 0.198 169 E C -0.631 175.968 176.600 -0.002 0.000 1.007 169 E CA 1.748 58.112 56.400 -0.060 0.000 0.809 169 E CB -0.664 28.992 29.700 -0.074 0.000 0.749 169 E HN 0.306 nan 8.360 nan 0.000 0.450 170 P HA -0.100 nan 4.420 nan 0.000 0.218 170 P C 1.124 178.505 177.300 0.135 0.000 1.149 170 P CA 0.928 64.088 63.100 0.099 0.000 0.817 170 P CB -0.232 31.582 31.700 0.190 0.000 0.785 171 F N 0.617 120.555 119.950 -0.021 0.000 2.259 171 F HA -0.035 4.493 4.527 0.002 0.000 0.298 171 F C 2.181 177.961 175.800 -0.034 0.000 1.088 171 F CA 1.183 59.169 58.000 -0.025 0.000 1.358 171 F CB -0.196 38.693 39.000 -0.186 0.000 1.040 171 F HN -0.298 nan 8.300 nan 0.000 0.505 172 R N 0.428 121.018 120.500 0.151 0.000 2.066 172 R HA -0.161 4.181 4.340 0.003 0.000 0.232 172 R C 2.386 178.669 176.300 -0.028 0.000 1.131 172 R CA 1.599 57.743 56.100 0.074 0.000 0.955 172 R CB -0.494 29.847 30.300 0.068 0.000 0.851 172 R HN 0.231 nan 8.270 nan 0.000 0.432 173 K N 1.124 121.512 120.400 -0.019 0.000 2.074 173 K HA -0.250 4.072 4.320 0.003 0.000 0.209 173 K C 1.907 178.464 176.600 -0.070 0.000 1.048 173 K CA 1.822 58.091 56.287 -0.031 0.000 0.926 173 K CB 0.036 32.529 32.500 -0.011 0.000 0.713 173 K HN 0.250 nan 8.250 nan 0.000 0.444 174 Q N -0.467 119.261 119.800 -0.120 0.000 2.245 174 Q HA -0.033 4.309 4.340 0.003 0.000 0.201 174 Q C 0.003 175.849 176.000 -0.256 0.000 0.955 174 Q CA 0.797 56.499 55.803 -0.169 0.000 0.870 174 Q CB 0.274 28.906 28.738 -0.177 0.000 0.945 174 Q HN 0.305 nan 8.270 nan 0.000 0.461 175 N N 0.363 118.848 118.700 -0.358 0.000 2.735 175 N HA 0.092 4.834 4.740 0.003 0.000 0.312 175 N C -2.173 173.253 175.510 -0.140 0.000 1.843 175 N CA -1.019 51.822 53.050 -0.348 0.000 0.945 175 N CB 1.041 39.073 38.487 -0.759 0.000 1.299 175 N HN 0.078 nan 8.380 nan 0.000 0.489 176 P HA -0.052 nan 4.420 nan 0.000 0.221 176 P C 0.012 177.310 177.300 -0.003 0.000 1.150 176 P CA 1.062 64.146 63.100 -0.027 0.000 0.800 176 P CB 0.438 32.123 31.700 -0.024 0.000 0.787 177 D N -0.221 120.174 120.400 -0.009 0.000 2.352 177 D HA 0.111 4.753 4.640 0.003 0.000 0.232 177 D C 0.713 177.035 176.300 0.037 0.000 1.055 177 D CA 0.516 54.523 54.000 0.012 0.000 0.891 177 D CB -0.256 40.549 40.800 0.007 0.000 0.897 177 D HN 0.313 nan 8.370 nan 0.000 0.529 178 I N 0.548 121.147 120.570 0.049 0.000 2.509 178 I HA 0.225 4.397 4.170 0.003 0.000 0.293 178 I C -0.250 175.929 176.117 0.103 0.000 1.020 178 I CA -1.367 59.992 61.300 0.097 0.000 1.088 178 I CB 2.393 40.485 38.000 0.153 0.000 1.267 178 I HN -0.310 nan 8.210 nan 0.000 0.430 179 V N 4.555 124.528 119.914 0.098 0.000 2.435 179 V HA 0.615 4.737 4.120 0.003 0.000 0.290 179 V C -0.350 175.804 176.094 0.101 0.000 1.030 179 V CA -0.491 61.862 62.300 0.089 0.000 0.881 179 V CB 1.441 33.302 31.823 0.064 0.000 0.983 179 V HN 0.526 nan 8.190 nan 0.000 0.445 180 I N 5.491 126.118 120.570 0.096 0.000 2.378 180 I HA 0.402 4.573 4.170 0.003 0.000 0.291 180 I C -1.136 175.053 176.117 0.122 0.000 0.992 180 I CA -0.698 60.645 61.300 0.071 0.000 1.154 180 I CB 1.830 39.832 38.000 0.004 0.000 1.315 180 I HN 0.802 nan 8.210 nan 0.000 0.448 181 Y N 6.368 126.686 120.300 0.031 0.000 2.369 181 Y HA 0.355 4.907 4.550 0.003 0.000 0.337 181 Y C -0.472 175.493 175.900 0.107 0.000 0.961 181 Y CA -0.826 57.307 58.100 0.055 0.000 1.186 181 Y CB 0.899 39.366 38.460 0.012 0.000 1.139 181 Y HN 0.489 nan 8.280 nan 0.000 0.494 182 Q N 6.302 125.755 119.800 -0.578 0.000 2.307 182 Q HA 0.202 4.544 4.340 0.003 0.000 0.259 182 Q C -1.688 173.823 176.000 -0.815 0.000 0.998 182 Q CA -0.255 55.229 55.803 -0.531 0.000 0.923 182 Q CB 1.197 29.792 28.738 -0.239 0.000 1.196 182 Q HN 0.718 nan 8.270 nan 0.000 0.416 183 Y N 4.365 124.274 120.300 -0.652 0.000 2.346 183 Y HA 0.276 4.828 4.550 0.004 0.000 0.332 183 Y C 0.260 176.147 175.900 -0.021 0.000 0.985 183 Y CA -0.551 57.411 58.100 -0.230 0.000 1.112 183 Y CB 0.707 39.217 38.460 0.082 0.000 1.170 183 Y HN 0.799 nan 8.280 nan 0.000 0.447 184 M N 1.639 120.955 119.600 -0.473 0.000 7.319 184 M HA -0.373 4.109 4.480 0.003 0.000 0.312 184 M C 0.259 176.493 176.300 -0.109 0.000 0.480 184 M CA 2.364 57.464 55.300 -0.333 0.000 1.311 184 M CB -1.155 31.201 32.600 -0.406 0.000 0.421 184 M HN 0.805 nan 8.290 nan 0.000 0.740 185 D N 0.179 120.468 120.400 -0.184 0.000 2.501 185 D HA 0.327 4.968 4.640 0.003 0.000 0.226 185 D C -0.540 175.709 176.300 -0.085 0.000 1.198 185 D CA -0.112 53.795 54.000 -0.154 0.000 0.830 185 D CB 0.018 40.500 40.800 -0.530 0.000 1.014 185 D HN 0.243 nan 8.370 nan 0.000 0.496 186 D N 0.163 120.507 120.400 -0.093 0.000 2.385 186 D HA 0.497 5.139 4.640 0.003 0.000 0.254 186 D C -0.137 175.964 176.300 -0.332 0.000 1.053 186 D CA -0.410 53.451 54.000 -0.231 0.000 0.992 186 D CB 1.661 42.300 40.800 -0.269 0.000 1.145 186 D HN 0.043 nan 8.370 nan 0.000 0.523 187 L N 0.896 121.802 121.223 -0.529 0.000 2.401 187 L HA 0.405 4.747 4.340 0.003 0.000 0.266 187 L C -1.329 175.076 176.870 -0.776 0.000 0.991 187 L CA -0.899 53.648 54.840 -0.488 0.000 0.818 187 L CB 1.572 43.454 42.059 -0.295 0.000 1.321 187 L HN 0.303 nan 8.230 nan 0.000 0.413 188 Y N 1.685 121.909 120.300 -0.127 0.000 2.350 188 Y HA 0.580 5.131 4.550 0.002 0.000 0.338 188 Y C -0.259 175.602 175.900 -0.065 0.000 0.961 188 Y CA -0.970 57.056 58.100 -0.123 0.000 1.100 188 Y CB 2.125 40.512 38.460 -0.122 0.000 1.179 188 Y HN 0.090 nan 8.280 nan 0.000 0.454 189 V N 2.630 122.573 119.914 0.049 0.000 2.444 189 V HA 0.897 5.019 4.120 0.003 0.000 0.294 189 V C 0.070 176.253 176.094 0.149 0.000 1.022 189 V CA -0.731 61.616 62.300 0.077 0.000 0.850 189 V CB 1.512 33.352 31.823 0.029 0.000 0.992 189 V HN 0.935 nan 8.190 nan 0.000 0.426 190 G N 2.496 111.377 108.800 0.136 0.000 2.571 190 G HA2 0.821 4.783 3.960 0.003 0.000 0.304 190 G HA3 0.821 4.783 3.960 0.003 0.000 0.304 190 G C -0.747 174.228 174.900 0.125 0.000 1.314 190 G CA -0.169 45.000 45.100 0.115 0.000 0.975 190 G HN 1.042 nan 8.290 nan 0.000 0.485 191 S N -0.518 115.241 115.700 0.100 0.000 2.656 191 S HA 0.553 5.024 4.470 0.003 0.000 0.273 191 S C -1.382 173.237 174.600 0.031 0.000 1.168 191 S CA -0.852 57.404 58.200 0.093 0.000 0.817 191 S CB 2.374 65.681 63.200 0.178 0.000 1.146 191 S HN 0.333 nan 8.310 nan 0.000 0.475 192 D N 1.335 121.755 120.400 0.032 0.000 3.058 192 D HA 0.392 5.034 4.640 0.003 0.000 0.272 192 D C -0.209 176.105 176.300 0.024 0.000 1.350 192 D CA 0.051 54.059 54.000 0.013 0.000 0.863 192 D CB 0.048 40.854 40.800 0.009 0.000 1.064 192 D HN 0.404 nan 8.370 nan 0.000 0.488 193 L N -0.143 121.106 121.223 0.043 0.000 2.335 193 L HA 0.445 4.787 4.340 0.003 0.000 0.268 193 L C 0.447 177.344 176.870 0.044 0.000 1.016 193 L CA -1.178 53.697 54.840 0.058 0.000 0.805 193 L CB 0.876 42.996 42.059 0.101 0.000 1.311 193 L HN -0.219 nan 8.230 nan 0.000 0.456 194 E N -0.195 120.036 120.200 0.053 0.000 2.319 194 E HA 0.251 4.602 4.350 0.003 0.000 0.268 194 E C 0.885 177.532 176.600 0.079 0.000 1.050 194 E CA -0.412 56.014 56.400 0.044 0.000 0.878 194 E CB 1.204 30.926 29.700 0.037 0.000 1.066 194 E HN 0.392 nan 8.360 nan 0.000 0.406 195 I N 1.519 122.127 120.570 0.063 0.000 2.227 195 I HA -0.355 3.817 4.170 0.003 0.000 0.250 195 I C 1.874 178.072 176.117 0.135 0.000 1.087 195 I CA 1.891 63.252 61.300 0.103 0.000 1.352 195 I CB -0.483 37.559 38.000 0.070 0.000 1.043 195 I HN 0.780 nan 8.210 nan 0.000 0.425 196 G N -0.021 108.834 108.800 0.091 0.000 2.604 196 G HA2 -0.270 3.692 3.960 0.003 0.000 0.216 196 G HA3 -0.270 3.692 3.960 0.003 0.000 0.216 196 G C 1.338 176.291 174.900 0.089 0.000 1.265 196 G CA 0.438 45.585 45.100 0.078 0.000 0.804 196 G HN 0.433 nan 8.290 nan 0.000 0.579 197 Q N -0.423 119.428 119.800 0.086 0.000 2.443 197 Q HA -0.129 4.213 4.340 0.003 0.000 0.213 197 Q C 2.072 178.140 176.000 0.112 0.000 0.982 197 Q CA 1.144 56.996 55.803 0.081 0.000 0.894 197 Q CB -0.110 28.669 28.738 0.068 0.000 0.947 197 Q HN 0.761 nan 8.270 nan 0.000 0.480 198 H N 0.938 120.034 119.070 0.044 0.000 2.276 198 H HA 0.041 4.601 4.556 0.007 0.000 0.307 198 H C 1.833 177.195 175.328 0.056 0.000 1.061 198 H CA 1.470 57.549 56.048 0.052 0.000 1.336 198 H CB 0.222 30.012 29.762 0.048 0.000 1.396 198 H HN -0.039 nan 8.280 nan 0.000 0.503 199 R N -0.439 120.058 120.500 -0.005 0.000 2.159 199 R HA -0.094 4.248 4.340 0.003 0.000 0.237 199 R C 2.208 178.486 176.300 -0.036 0.000 1.131 199 R CA 1.575 57.642 56.100 -0.055 0.000 0.982 199 R CB -0.247 30.077 30.300 0.041 0.000 0.868 199 R HN 0.381 nan 8.270 nan 0.000 0.453 200 T N 0.965 115.520 114.554 0.003 0.000 2.665 200 T HA -0.157 4.194 4.350 0.003 0.000 0.268 200 T C 1.531 176.244 174.700 0.022 0.000 1.035 200 T CA 1.377 63.488 62.100 0.019 0.000 1.151 200 T CB -0.005 68.884 68.868 0.035 0.000 0.862 200 T HN 0.286 nan 8.240 nan 0.000 0.438 201 K N 0.060 120.464 120.400 0.008 0.000 2.314 201 K HA 0.151 4.473 4.320 0.003 0.000 0.198 201 K C 2.105 178.727 176.600 0.037 0.000 1.045 201 K CA 0.211 56.541 56.287 0.070 0.000 0.988 201 K CB -0.034 32.523 32.500 0.096 0.000 0.783 201 K HN 0.253 nan 8.250 nan 0.000 0.484 202 I N 2.284 122.779 120.570 -0.125 0.000 2.099 202 I HA -0.240 3.932 4.170 0.003 0.000 0.239 202 I C 2.247 178.320 176.117 -0.074 0.000 1.066 202 I CA 1.555 62.760 61.300 -0.160 0.000 1.324 202 I CB -1.031 36.820 38.000 -0.249 0.000 1.037 202 I HN 0.128 nan 8.210 nan 0.000 0.401 203 E N 0.511 120.689 120.200 -0.037 0.000 2.058 203 E HA -0.271 4.081 4.350 0.003 0.000 0.194 203 E C 2.063 178.679 176.600 0.028 0.000 0.997 203 E CA 1.262 57.660 56.400 -0.003 0.000 0.801 203 E CB -0.467 29.239 29.700 0.010 0.000 0.746 203 E HN 0.574 nan 8.360 nan 0.000 0.450 204 E N 0.342 120.579 120.200 0.063 0.000 2.219 204 E HA -0.182 4.170 4.350 0.003 0.000 0.198 204 E C 1.974 178.678 176.600 0.174 0.000 0.998 204 E CA 0.580 57.059 56.400 0.131 0.000 0.818 204 E CB 0.009 29.811 29.700 0.170 0.000 0.741 204 E HN 0.140 nan 8.360 nan 0.000 0.477 205 L N 0.575 121.829 121.223 0.052 0.000 2.102 205 L HA -0.032 4.309 4.340 0.003 0.000 0.202 205 L C 2.276 179.065 176.870 -0.135 0.000 1.076 205 L CA 1.243 55.944 54.840 -0.231 0.000 0.761 205 L CB -0.452 41.318 42.059 -0.482 0.000 0.921 205 L HN 0.137 nan 8.230 nan 0.000 0.444 206 R N -0.485 119.970 120.500 -0.075 0.000 2.091 206 R HA -0.182 4.160 4.340 0.003 0.000 0.238 206 R C 2.029 178.349 176.300 0.033 0.000 1.136 206 R CA 1.177 57.258 56.100 -0.032 0.000 0.959 206 R CB -0.228 30.058 30.300 -0.024 0.000 0.856 206 R HN 0.427 nan 8.270 nan 0.000 0.437 207 Q N -0.397 119.435 119.800 0.054 0.000 2.436 207 Q HA -0.130 4.212 4.340 0.003 0.000 0.209 207 Q C 1.524 177.598 176.000 0.124 0.000 0.965 207 Q CA 1.214 57.058 55.803 0.069 0.000 0.910 207 Q CB 0.016 28.786 28.738 0.054 0.000 0.980 207 Q HN 0.609 nan 8.270 nan 0.000 0.491 208 H N -1.026 118.082 119.070 0.063 0.000 2.399 208 H HA -0.019 4.538 4.556 0.003 0.000 0.300 208 H C 1.537 176.999 175.328 0.223 0.000 1.048 208 H CA 0.255 56.394 56.048 0.152 0.000 1.370 208 H CB 0.489 30.335 29.762 0.140 0.000 1.428 208 H HN 0.054 nan 8.280 nan 0.000 0.534 209 L N 0.482 121.880 121.223 0.291 0.000 2.083 209 L HA -0.138 4.204 4.340 0.003 0.000 0.209 209 L C 2.247 179.257 176.870 0.233 0.000 1.083 209 L CA 0.997 55.969 54.840 0.221 0.000 0.752 209 L CB -0.956 41.126 42.059 0.039 0.000 0.899 209 L HN 0.382 nan 8.230 nan 0.000 0.433 210 L N -0.477 120.831 121.223 0.142 0.000 2.141 210 L HA -0.112 4.230 4.340 0.003 0.000 0.209 210 L C 2.552 179.442 176.870 0.033 0.000 1.094 210 L CA 1.417 56.304 54.840 0.078 0.000 0.763 210 L CB -0.555 41.528 42.059 0.040 0.000 0.908 210 L HN 0.186 nan 8.230 nan 0.000 0.437 211 R N -2.133 118.367 120.500 -0.001 0.000 2.293 211 R HA -0.169 4.172 4.340 0.003 0.000 0.219 211 R C 0.855 176.920 176.300 -0.392 0.000 1.091 211 R CA 1.485 57.449 56.100 -0.228 0.000 1.004 211 R CB -0.273 29.819 30.300 -0.348 0.000 0.865 211 R HN 0.438 nan 8.270 nan 0.000 0.469 212 W N -1.067 120.259 121.300 0.043 0.000 2.846 212 W HA 0.285 4.947 4.660 0.002 0.000 0.391 212 W C 0.968 177.509 176.519 0.037 0.000 1.011 212 W CA 0.284 57.657 57.345 0.046 0.000 1.832 212 W CB 1.211 30.715 29.460 0.073 0.000 1.151 212 W HN 0.197 nan 8.180 nan 0.000 0.582 213 G N 0.314 109.218 108.800 0.175 0.000 2.213 213 G HA2 -0.263 3.698 3.960 0.003 0.000 0.226 213 G HA3 -0.263 3.698 3.960 0.003 0.000 0.226 213 G C -0.052 174.929 174.900 0.135 0.000 0.992 213 G CA -0.363 44.821 45.100 0.139 0.000 0.632 213 G HN 0.073 nan 8.290 nan 0.000 0.511 214 L N 2.873 124.184 121.223 0.147 0.000 2.255 214 L HA 0.519 4.860 4.340 0.003 0.000 0.289 214 L C 0.915 177.830 176.870 0.074 0.000 1.046 214 L CA -0.016 54.892 54.840 0.114 0.000 0.816 214 L CB 1.237 43.356 42.059 0.100 0.000 1.197 214 L HN 0.362 nan 8.230 nan 0.000 0.427 215 T N -0.225 114.363 114.554 0.058 0.000 2.875 215 T HA 0.690 5.042 4.350 0.003 0.000 0.284 215 T C 0.098 174.803 174.700 0.008 0.000 0.995 215 T CA -0.547 61.571 62.100 0.030 0.000 1.060 215 T CB 1.805 70.688 68.868 0.025 0.000 0.967 215 T HN 0.619 nan 8.240 nan 0.000 0.476 216 T N 0.081 114.632 114.554 -0.006 0.000 2.883 216 T HA 0.688 5.040 4.350 0.003 0.000 0.296 216 T C -3.145 171.543 174.700 -0.021 0.000 1.117 216 T CA -1.854 60.232 62.100 -0.023 0.000 1.006 216 T CB 0.737 69.582 68.868 -0.037 0.000 1.191 216 T HN 0.450 nan 8.240 nan 0.000 0.508 217 P HA 0.242 nan 4.420 nan 0.000 0.271 217 P C -0.292 177.036 177.300 0.046 0.000 1.220 217 P CA -0.187 62.925 63.100 0.020 0.000 0.768 217 P CB 0.399 32.124 31.700 0.041 0.000 0.848 218 D N 2.557 123.013 120.400 0.092 0.000 2.478 218 D HA 0.077 4.719 4.640 0.003 0.000 0.269 218 D C 0.981 177.334 176.300 0.088 0.000 1.232 218 D CA -0.434 53.615 54.000 0.082 0.000 1.059 218 D CB 0.854 41.710 40.800 0.093 0.000 1.104 218 D HN -0.012 nan 8.370 nan 0.000 0.566 219 K N -0.005 120.429 120.400 0.057 0.000 2.107 219 K HA -0.242 4.080 4.320 0.003 0.000 0.211 219 K C 1.839 178.452 176.600 0.021 0.000 1.049 219 K CA 1.625 57.937 56.287 0.041 0.000 0.927 219 K CB -0.413 32.106 32.500 0.033 0.000 0.714 219 K HN 0.560 nan 8.250 nan 0.000 0.452 220 K N -0.160 120.238 120.400 -0.002 0.000 2.366 220 K HA -0.080 4.241 4.320 0.003 0.000 0.198 220 K C 0.408 176.807 176.600 -0.335 0.000 1.044 220 K CA 0.839 57.033 56.287 -0.155 0.000 0.973 220 K CB 0.180 32.559 32.500 -0.201 0.000 0.767 220 K HN 0.210 nan 8.250 nan 0.000 0.475 221 H N 0.780 119.866 119.070 0.026 0.000 2.500 221 H HA 0.232 4.790 4.556 0.004 0.000 0.243 221 H C -0.845 174.500 175.328 0.029 0.000 1.318 221 H CA -0.238 55.825 56.048 0.025 0.000 1.077 221 H CB 0.448 30.220 29.762 0.016 0.000 1.748 221 H HN 0.199 nan 8.280 nan 0.000 0.556 222 Q N 1.304 121.160 119.800 0.092 0.000 2.330 222 Q HA 0.321 4.663 4.340 0.003 0.000 0.269 222 Q C -0.303 175.772 176.000 0.126 0.000 1.022 222 Q CA -0.732 55.128 55.803 0.095 0.000 0.796 222 Q CB 2.749 31.535 28.738 0.080 0.000 1.271 222 Q HN 0.250 nan 8.270 nan 0.000 0.450 223 K N 1.376 121.877 120.400 0.169 0.000 2.180 223 K HA 0.245 4.566 4.320 0.003 0.000 0.251 223 K C -0.084 176.740 176.600 0.374 0.000 1.014 223 K CA -0.413 56.017 56.287 0.238 0.000 0.913 223 K CB 0.559 33.230 32.500 0.285 0.000 1.008 223 K HN 0.383 nan 8.250 nan 0.000 0.490 224 E N 0.976 121.323 120.200 0.246 0.000 2.281 224 E HA 0.357 4.709 4.350 0.003 0.000 0.262 224 E C -2.504 173.862 176.600 -0.391 0.000 0.933 224 E CA -2.608 53.854 56.400 0.104 0.000 0.809 224 E CB 0.949 30.662 29.700 0.022 0.000 1.242 224 E HN 0.282 nan 8.360 nan 0.000 0.418 225 P HA 0.137 nan 4.420 nan 0.000 0.268 225 P C -2.242 174.731 177.300 -0.546 0.000 1.205 225 P CA -0.798 61.669 63.100 -1.056 0.000 0.771 225 P CB -0.325 30.978 31.700 -0.661 0.000 0.858 226 P HA 0.178 nan 4.420 nan 0.000 0.275 226 P C -0.970 176.029 177.300 -0.502 0.000 1.227 226 P CA -0.073 62.638 63.100 -0.649 0.000 0.781 226 P CB 0.343 31.684 31.700 -0.598 0.000 0.906 227 F N 2.169 122.132 119.950 0.022 0.000 2.467 227 F HA 0.216 4.743 4.527 0.001 0.000 0.349 227 F C 0.530 176.430 175.800 0.167 0.000 1.182 227 F CA -0.954 57.105 58.000 0.098 0.000 1.279 227 F CB -0.667 38.389 39.000 0.094 0.000 1.626 227 F HN 0.016 nan 8.300 nan 0.000 0.596 228 L N 1.659 123.036 121.223 0.258 0.000 2.628 228 L HA -0.050 4.292 4.340 0.003 0.000 0.292 228 L C -0.489 176.618 176.870 0.393 0.000 1.250 228 L CA 0.948 55.954 54.840 0.278 0.000 0.892 228 L CB -0.206 41.964 42.059 0.185 0.000 1.138 228 L HN 0.678 nan 8.230 nan 0.000 0.502 229 W N 6.086 127.480 121.300 0.157 0.000 4.000 229 W HA 0.415 5.077 4.660 0.003 0.000 0.302 229 W C -0.121 176.481 176.519 0.139 0.000 1.206 229 W CA -1.092 56.315 57.345 0.103 0.000 1.286 229 W CB 0.589 30.056 29.460 0.011 0.000 1.234 229 W HN 0.514 nan 8.180 nan 0.000 0.477 230 M N 5.404 124.650 119.600 -0.589 0.000 2.856 230 M HA -0.142 4.340 4.480 0.003 0.000 0.189 230 M C 1.082 177.108 176.300 -0.457 0.000 0.612 230 M CA 2.908 57.736 55.300 -0.786 0.000 0.673 230 M CB -1.190 30.357 32.600 -1.755 0.000 2.440 230 M HN 2.028 nan 8.290 nan 0.000 0.437 231 G N -2.472 106.153 108.800 -0.291 0.000 2.192 231 G HA2 -0.210 3.751 3.960 0.003 0.000 0.193 231 G HA3 -0.210 3.751 3.960 0.003 0.000 0.193 231 G C -0.239 174.622 174.900 -0.066 0.000 0.999 231 G CA -0.120 44.791 45.100 -0.316 0.000 0.659 231 G HN 0.680 nan 8.290 nan 0.000 0.503 232 Y N 0.213 120.625 120.300 0.186 0.000 2.587 232 Y HA 0.711 5.262 4.550 0.003 0.000 0.337 232 Y C 0.326 176.400 175.900 0.290 0.000 1.065 232 Y CA -0.949 57.322 58.100 0.284 0.000 1.126 232 Y CB 1.578 40.155 38.460 0.195 0.000 1.279 232 Y HN 0.118 nan 8.280 nan 0.000 0.489 233 E N 2.503 123.014 120.200 0.519 0.000 2.185 233 E HA 0.478 4.830 4.350 0.003 0.000 0.261 233 E C -2.027 174.869 176.600 0.492 0.000 0.879 233 E CA -0.470 56.176 56.400 0.411 0.000 0.756 233 E CB 0.710 30.628 29.700 0.365 0.000 1.152 233 E HN 0.635 nan 8.360 nan 0.000 0.416 234 L N 5.584 127.026 121.223 0.365 0.000 2.298 234 L HA 0.477 4.818 4.340 0.003 0.000 0.284 234 L C 0.254 177.256 176.870 0.220 0.000 1.013 234 L CA -0.775 54.316 54.840 0.419 0.000 0.824 234 L CB 1.008 43.306 42.059 0.399 0.000 1.221 234 L HN 0.528 nan 8.230 nan 0.000 0.418 235 H N 2.623 121.827 119.070 0.223 0.000 2.570 235 H HA 0.269 4.825 4.556 0.001 0.000 0.342 235 H C -1.635 173.818 175.328 0.207 0.000 1.245 235 H CA -1.851 54.264 56.048 0.112 0.000 1.318 235 H CB 1.643 31.430 29.762 0.042 0.000 1.694 235 H HN 0.313 nan 8.280 nan 0.000 0.592 236 P HA -0.142 nan 4.420 nan 0.000 0.216 236 P C 0.559 178.038 177.300 0.298 0.000 1.150 236 P CA 1.573 64.799 63.100 0.210 0.000 0.837 236 P CB 0.208 31.978 31.700 0.115 0.000 0.786 237 D N -2.228 118.347 120.400 0.291 0.000 2.563 237 D HA 0.129 4.771 4.640 0.003 0.000 0.237 237 D C 0.145 176.523 176.300 0.129 0.000 1.282 237 D CA -0.169 54.007 54.000 0.293 0.000 0.816 237 D CB 0.096 40.972 40.800 0.128 0.000 1.066 237 D HN 0.212 nan 8.370 nan 0.000 0.501 238 K N -1.241 119.191 120.400 0.053 0.000 2.672 238 K HA 0.613 4.935 4.320 0.003 0.000 0.295 238 K C -1.543 175.015 176.600 -0.070 0.000 1.042 238 K CA -1.063 55.049 56.287 -0.291 0.000 0.869 238 K CB 1.210 33.494 32.500 -0.359 0.000 1.541 238 K HN 0.079 nan 8.250 nan 0.000 0.396 239 W N -0.188 120.980 121.300 -0.221 0.000 3.137 239 W HA 0.773 5.433 4.660 0.000 0.000 0.324 239 W C -1.761 174.790 176.519 0.055 0.000 1.253 239 W CA -0.616 56.736 57.345 0.012 0.000 1.183 239 W CB 1.323 30.801 29.460 0.030 0.000 1.424 239 W HN 0.950 nan 8.180 nan 0.000 0.566 240 T N 0.177 114.906 114.554 0.292 0.000 2.762 240 T HA 0.501 4.853 4.350 0.003 0.000 0.301 240 T C -0.543 174.451 174.700 0.490 0.000 1.299 240 T CA -0.114 62.012 62.100 0.043 0.000 1.005 240 T CB 1.016 69.872 68.868 -0.020 0.000 1.377 240 T HN 0.978 nan 8.240 nan 0.000 0.504 241 V N 0.997 121.122 119.914 0.353 0.000 3.319 241 V HA 0.513 4.635 4.120 0.003 0.000 0.303 241 V C 0.594 176.881 176.094 0.322 0.000 1.094 241 V CA -0.608 61.906 62.300 0.357 0.000 1.106 241 V CB -0.014 31.953 31.823 0.240 0.000 1.099 241 V HN 0.993 nan 8.190 nan 0.000 0.476 242 Q N 2.156 122.132 119.800 0.293 0.000 2.392 242 Q HA 0.264 4.606 4.340 0.003 0.000 0.262 242 Q C -2.177 173.926 176.000 0.171 0.000 1.003 242 Q CA -1.351 54.571 55.803 0.199 0.000 0.888 242 Q CB 0.471 29.275 28.738 0.110 0.000 1.260 242 Q HN 0.708 nan 8.270 nan 0.000 0.435 243 P HA -0.076 nan 4.420 nan 0.000 0.262 243 P C -0.911 176.431 177.300 0.070 0.000 1.182 243 P CA 1.021 64.183 63.100 0.102 0.000 0.761 243 P CB 0.304 32.052 31.700 0.080 0.000 0.795 244 I N 3.446 124.046 120.570 0.051 0.000 2.362 244 I HA 0.270 4.442 4.170 0.003 0.000 0.289 244 I C 0.202 176.315 176.117 -0.006 0.000 0.994 244 I CA -1.035 60.278 61.300 0.021 0.000 1.158 244 I CB 2.196 40.201 38.000 0.009 0.000 1.315 244 I HN 0.094 nan 8.210 nan 0.000 0.451 245 V N 8.181 128.097 119.914 0.003 0.000 2.378 245 V HA 0.439 4.561 4.120 0.003 0.000 0.288 245 V C -0.204 175.901 176.094 0.018 0.000 1.016 245 V CA -0.522 61.780 62.300 0.003 0.000 0.840 245 V CB 1.533 33.358 31.823 0.003 0.000 0.994 245 V HN 0.496 nan 8.190 nan 0.000 0.431 246 L N 9.805 131.044 121.223 0.026 0.000 2.315 246 L HA 0.412 4.754 4.340 0.003 0.000 0.283 246 L C -1.630 175.296 176.870 0.094 0.000 1.089 246 L CA -1.553 53.335 54.840 0.079 0.000 0.833 246 L CB 0.734 42.839 42.059 0.077 0.000 1.170 246 L HN 0.516 nan 8.230 nan 0.000 0.442 247 P HA -0.016 nan 4.420 nan 0.000 0.269 247 P C -0.708 176.598 177.300 0.010 0.000 1.211 247 P CA -0.083 63.016 63.100 -0.002 0.000 0.781 247 P CB 0.818 32.449 31.700 -0.115 0.000 0.877 248 E N 0.924 121.076 120.200 -0.079 0.000 2.141 248 E HA 0.311 4.662 4.350 0.003 0.000 0.259 248 E C -0.831 175.653 176.600 -0.193 0.000 0.883 248 E CA -0.506 55.860 56.400 -0.056 0.000 0.744 248 E CB 0.613 30.301 29.700 -0.020 0.000 1.150 248 E HN 0.222 nan 8.360 nan 0.000 0.420 249 K N 2.726 122.940 120.400 -0.309 0.000 2.435 249 K HA 0.342 4.664 4.320 0.003 0.000 0.251 249 K C -0.393 176.054 176.600 -0.255 0.000 0.954 249 K CA -0.883 55.122 56.287 -0.470 0.000 0.820 249 K CB 1.715 33.588 32.500 -1.046 0.000 1.292 249 K HN 0.254 nan 8.250 nan 0.000 0.436 250 D N 0.461 120.753 120.400 -0.179 0.000 2.146 250 D HA -0.029 4.613 4.640 0.003 0.000 0.209 250 D C 0.110 176.396 176.300 -0.023 0.000 0.973 250 D CA 1.032 55.003 54.000 -0.048 0.000 0.860 250 D CB 0.066 40.843 40.800 -0.039 0.000 1.015 250 D HN 0.261 nan 8.370 nan 0.000 0.465 251 S N 0.156 115.795 115.700 -0.102 0.000 2.537 251 S HA 0.278 4.750 4.470 0.003 0.000 0.275 251 S C -0.740 173.768 174.600 -0.155 0.000 1.272 251 S CA -0.511 57.662 58.200 -0.045 0.000 1.050 251 S CB 0.678 63.851 63.200 -0.046 0.000 0.961 251 S HN 0.140 nan 8.310 nan 0.000 0.496 252 W N 1.984 123.276 121.300 -0.013 0.000 2.471 252 W HA 0.371 5.032 4.660 0.003 0.000 0.318 252 W C 0.715 177.226 176.519 -0.013 0.000 1.034 252 W CA -0.714 56.622 57.345 -0.014 0.000 1.224 252 W CB 0.990 30.441 29.460 -0.015 0.000 1.335 252 W HN 0.662 nan 8.180 nan 0.000 0.452 253 T N -1.447 113.213 114.554 0.176 0.000 2.816 253 T HA 0.183 4.535 4.350 0.003 0.000 0.282 253 T C 0.981 175.761 174.700 0.134 0.000 0.993 253 T CA -0.676 61.492 62.100 0.113 0.000 0.994 253 T CB 1.176 70.076 68.868 0.052 0.000 1.025 253 T HN 0.213 nan 8.240 nan 0.000 0.529 254 V N 1.742 121.704 119.914 0.081 0.000 2.332 254 V HA -0.206 3.916 4.120 0.003 0.000 0.248 254 V C 2.932 179.066 176.094 0.068 0.000 1.055 254 V CA 2.295 64.632 62.300 0.063 0.000 1.038 254 V CB -1.178 30.666 31.823 0.035 0.000 0.651 254 V HN 1.035 nan 8.190 nan 0.000 0.450 255 N N 0.055 118.791 118.700 0.060 0.000 2.223 255 N HA -0.207 4.535 4.740 0.003 0.000 0.185 255 N C 1.390 176.950 175.510 0.084 0.000 1.016 255 N CA 1.563 54.644 53.050 0.052 0.000 0.863 255 N CB -0.083 38.421 38.487 0.029 0.000 0.983 255 N HN 0.476 nan 8.380 nan 0.000 0.429 256 D N 0.766 121.249 120.400 0.138 0.000 2.178 256 D HA -0.038 4.604 4.640 0.003 0.000 0.202 256 D C 1.971 178.481 176.300 0.349 0.000 0.974 256 D CA 0.632 54.778 54.000 0.243 0.000 0.841 256 D CB 0.023 41.003 40.800 0.300 0.000 0.953 256 D HN 0.464 nan 8.370 nan 0.000 0.478 257 I N 0.360 121.074 120.570 0.239 0.000 2.584 257 I HA -0.144 4.028 4.170 0.003 0.000 0.255 257 I C 2.287 178.423 176.117 0.033 0.000 1.145 257 I CA 0.516 61.864 61.300 0.081 0.000 1.462 257 I CB -0.109 37.892 38.000 0.002 0.000 1.102 257 I HN -0.108 nan 8.210 nan 0.000 0.433 258 Q N 1.026 120.853 119.800 0.045 0.000 2.079 258 Q HA -0.163 4.178 4.340 0.003 0.000 0.200 258 Q C 2.176 178.193 176.000 0.027 0.000 0.974 258 Q CA 1.274 57.091 55.803 0.023 0.000 0.840 258 Q CB 0.024 28.774 28.738 0.020 0.000 0.898 258 Q HN 0.387 nan 8.270 nan 0.000 0.430 259 K N 0.418 120.846 120.400 0.046 0.000 2.097 259 K HA -0.166 4.156 4.320 0.003 0.000 0.206 259 K C 2.126 178.755 176.600 0.048 0.000 1.049 259 K CA 0.863 57.173 56.287 0.038 0.000 0.933 259 K CB -0.205 32.323 32.500 0.046 0.000 0.717 259 K HN 0.136 nan 8.250 nan 0.000 0.442 260 L N 1.124 122.393 121.223 0.077 0.000 2.027 260 L HA -0.161 4.181 4.340 0.003 0.000 0.206 260 L C 2.120 178.995 176.870 0.009 0.000 1.074 260 L CA 1.289 56.163 54.840 0.056 0.000 0.745 260 L CB -0.307 41.779 42.059 0.044 0.000 0.898 260 L HN -0.148 nan 8.230 nan 0.000 0.433 261 V N 0.335 120.244 119.914 -0.009 0.000 2.324 261 V HA -0.287 3.834 4.120 0.003 0.000 0.250 261 V C 2.597 178.703 176.094 0.020 0.000 1.060 261 V CA 1.931 64.225 62.300 -0.011 0.000 1.042 261 V CB -1.874 29.939 31.823 -0.016 0.000 0.650 261 V HN 0.661 nan 8.190 nan 0.000 0.450 262 G N -0.222 108.595 108.800 0.028 0.000 2.414 262 G HA2 -0.228 3.734 3.960 0.003 0.000 0.215 262 G HA3 -0.228 3.734 3.960 0.003 0.000 0.215 262 G C 1.617 176.568 174.900 0.086 0.000 1.188 262 G CA 0.784 45.913 45.100 0.048 0.000 0.783 262 G HN 0.490 nan 8.290 nan 0.000 0.537 263 K N -0.465 119.969 120.400 0.058 0.000 2.211 263 K HA 0.004 4.326 4.320 0.003 0.000 0.204 263 K C 2.287 178.956 176.600 0.115 0.000 1.047 263 K CA 0.449 56.785 56.287 0.082 0.000 0.935 263 K CB -0.134 32.390 32.500 0.041 0.000 0.728 263 K HN 0.146 nan 8.250 nan 0.000 0.452 264 L N 1.472 122.736 121.223 0.068 0.000 2.049 264 L HA -0.078 4.263 4.340 0.003 0.000 0.203 264 L C 1.721 178.634 176.870 0.072 0.000 1.074 264 L CA 1.530 56.394 54.840 0.040 0.000 0.749 264 L CB -1.125 40.933 42.059 -0.002 0.000 0.907 264 L HN 0.157 nan 8.230 nan 0.000 0.439 265 N N -0.964 117.789 118.700 0.088 0.000 2.137 265 N HA -0.289 4.452 4.740 0.003 0.000 0.190 265 N C 1.695 177.294 175.510 0.149 0.000 1.017 265 N CA 1.266 54.377 53.050 0.102 0.000 0.859 265 N CB -0.347 38.206 38.487 0.110 0.000 1.002 265 N HN 0.497 nan 8.380 nan 0.000 0.428 266 W N 1.612 122.914 121.300 0.003 0.000 2.379 266 W HA -0.052 4.609 4.660 0.003 0.000 0.307 266 W C 2.002 178.553 176.519 0.054 0.000 1.200 266 W CA 1.469 58.814 57.345 0.000 0.000 1.297 266 W CB -0.159 29.268 29.460 -0.055 0.000 1.140 266 W HN 0.053 nan 8.180 nan 0.000 0.507 267 A N 0.626 123.527 122.820 0.133 0.000 2.019 267 A HA -0.243 4.079 4.320 0.003 0.000 0.219 267 A C 1.979 179.630 177.584 0.113 0.000 1.164 267 A CA 2.238 54.349 52.037 0.124 0.000 0.644 267 A CB -1.237 17.792 19.000 0.049 0.000 0.805 267 A HN 0.374 nan 8.150 nan 0.000 0.449 268 S N 0.506 116.233 115.700 0.044 0.000 2.500 268 S HA -0.229 4.243 4.470 0.003 0.000 0.239 268 S C 1.738 176.328 174.600 -0.017 0.000 0.989 268 S CA 1.240 59.452 58.200 0.020 0.000 0.951 268 S CB -0.585 62.616 63.200 0.002 0.000 0.759 268 S HN 0.837 nan 8.310 nan 0.000 0.523 269 Q N -0.669 119.119 119.800 -0.020 0.000 2.403 269 Q HA 0.318 4.659 4.340 0.003 0.000 0.203 269 Q C 1.327 177.391 176.000 0.107 0.000 0.932 269 Q CA 0.352 56.175 55.803 0.033 0.000 0.945 269 Q CB -0.103 28.681 28.738 0.077 0.000 1.045 269 Q HN 0.626 nan 8.270 nan 0.000 0.511 270 I N -1.616 118.959 120.570 0.009 0.000 5.046 270 I HA 0.208 4.380 4.170 0.003 0.000 0.341 270 I C -0.933 174.997 176.117 -0.311 0.000 1.257 270 I CA -0.431 60.761 61.300 -0.181 0.000 1.421 270 I CB 1.045 38.802 38.000 -0.405 0.000 1.495 270 I HN -0.022 nan 8.210 nan 0.000 0.518 271 Y N 4.047 124.284 120.300 -0.105 0.000 2.477 271 Y HA 0.482 5.035 4.550 0.004 0.000 0.349 271 Y C -2.160 173.685 175.900 -0.091 0.000 0.977 271 Y CA -2.612 55.429 58.100 -0.099 0.000 1.214 271 Y CB 0.166 38.581 38.460 -0.076 0.000 1.124 271 Y HN 0.037 nan 8.280 nan 0.000 0.521 272 P HA 0.121 nan 4.420 nan 0.000 0.268 272 P C 0.705 178.001 177.300 -0.007 0.000 1.204 272 P CA 0.763 63.846 63.100 -0.027 0.000 0.768 272 P CB 0.842 32.510 31.700 -0.054 0.000 0.842 273 G N 2.526 111.312 108.800 -0.024 0.000 2.143 273 G HA2 -0.203 3.759 3.960 0.003 0.000 0.249 273 G HA3 -0.203 3.759 3.960 0.003 0.000 0.249 273 G C 0.205 175.091 174.900 -0.023 0.000 0.981 273 G CA -0.563 44.521 45.100 -0.026 0.000 0.665 273 G HN 0.457 nan 8.290 nan 0.000 0.528 274 I N 0.712 121.275 120.570 -0.012 0.000 2.648 274 I HA 0.217 4.389 4.170 0.003 0.000 0.284 274 I C 0.813 176.913 176.117 -0.028 0.000 1.153 274 I CA 0.718 62.007 61.300 -0.019 0.000 1.426 274 I CB 0.518 38.514 38.000 -0.006 0.000 1.381 274 I HN 0.110 nan 8.210 nan 0.000 0.571 275 K N 4.839 125.215 120.400 -0.039 0.000 2.267 275 K HA 0.599 4.920 4.320 0.003 0.000 0.246 275 K C 0.140 176.711 176.600 -0.049 0.000 0.954 275 K CA -0.555 55.706 56.287 -0.044 0.000 0.824 275 K CB 2.920 35.387 32.500 -0.054 0.000 1.167 275 K HN 0.494 nan 8.250 nan 0.000 0.431 276 V N -1.635 118.250 119.914 -0.047 0.000 3.544 276 V HA 0.150 4.272 4.120 0.003 0.000 0.298 276 V C 1.518 177.578 176.094 -0.056 0.000 1.580 276 V CA -0.219 62.048 62.300 -0.054 0.000 1.122 276 V CB 0.290 32.089 31.823 -0.039 0.000 0.951 276 V HN 0.767 nan 8.190 nan 0.000 0.448 277 R N 0.858 121.326 120.500 -0.054 0.000 2.082 277 R HA -0.149 4.193 4.340 0.003 0.000 0.234 277 R C 2.303 178.567 176.300 -0.060 0.000 1.136 277 R CA 2.586 58.655 56.100 -0.053 0.000 0.935 277 R CB -0.299 29.970 30.300 -0.052 0.000 0.842 277 R HN 0.468 nan 8.270 nan 0.000 0.430 278 Q N 0.348 120.108 119.800 -0.068 0.000 2.181 278 Q HA -0.127 4.215 4.340 0.003 0.000 0.205 278 Q C 2.175 178.121 176.000 -0.090 0.000 0.980 278 Q CA 1.461 57.219 55.803 -0.075 0.000 0.862 278 Q CB -0.222 28.469 28.738 -0.079 0.000 0.905 278 Q HN 0.430 nan 8.270 nan 0.000 0.429 279 L N -1.176 119.986 121.223 -0.103 0.000 2.156 279 L HA -0.158 4.184 4.340 0.003 0.000 0.208 279 L C 2.420 179.233 176.870 -0.095 0.000 1.095 279 L CA 0.673 55.437 54.840 -0.127 0.000 0.770 279 L CB -0.216 41.754 42.059 -0.148 0.000 0.914 279 L HN 0.194 nan 8.230 nan 0.000 0.439 280 C N -0.674 118.584 119.300 -0.070 0.000 2.475 280 C HA -0.067 4.395 4.460 0.003 0.000 0.279 280 C C 2.713 177.676 174.990 -0.045 0.000 1.322 280 C CA 0.083 59.070 59.018 -0.051 0.000 1.734 280 C CB -0.499 27.216 27.740 -0.041 0.000 2.005 280 C HN 0.389 nan 8.230 nan 0.000 0.495 281 K N 0.680 121.051 120.400 -0.047 0.000 2.127 281 K HA -0.193 4.129 4.320 0.003 0.000 0.208 281 K C 1.699 178.276 176.600 -0.038 0.000 1.047 281 K CA 1.195 57.459 56.287 -0.040 0.000 0.927 281 K CB -0.534 31.941 32.500 -0.042 0.000 0.716 281 K HN 0.350 nan 8.250 nan 0.000 0.450 282 L N 0.639 121.833 121.223 -0.050 0.000 2.131 282 L HA -0.157 4.185 4.340 0.003 0.000 0.210 282 L C 2.076 178.927 176.870 -0.031 0.000 1.092 282 L CA 1.214 56.026 54.840 -0.047 0.000 0.759 282 L CB -0.498 41.518 42.059 -0.073 0.000 0.903 282 L HN 0.073 nan 8.230 nan 0.000 0.435 283 L N -1.001 120.204 121.223 -0.030 0.000 2.291 283 L HA -0.023 4.319 4.340 0.003 0.000 0.214 283 L C 1.312 178.175 176.870 -0.012 0.000 1.120 283 L CA 0.736 55.566 54.840 -0.018 0.000 0.799 283 L CB -0.740 41.309 42.059 -0.017 0.000 0.925 283 L HN 0.174 nan 8.230 nan 0.000 0.446 284 R N -0.203 120.289 120.500 -0.015 0.000 2.697 284 R HA 0.344 4.686 4.340 0.003 0.000 0.265 284 R C 0.653 176.949 176.300 -0.007 0.000 1.009 284 R CA 0.861 56.955 56.100 -0.010 0.000 1.099 284 R CB -0.272 30.020 30.300 -0.012 0.000 0.965 284 R HN 0.311 nan 8.270 nan 0.000 0.428 285 G N -0.224 108.573 108.800 -0.004 0.000 2.434 285 G HA2 -0.203 3.758 3.960 0.003 0.000 0.671 285 G HA3 -0.203 3.758 3.960 0.003 0.000 0.671 285 G C -0.190 174.710 174.900 0.000 0.000 1.280 285 G CA -0.176 44.923 45.100 -0.001 0.000 0.975 285 G HN 0.511 nan 8.290 nan 0.000 0.510 286 T N 0.449 115.004 114.554 0.002 0.000 3.266 286 T HA 0.348 4.699 4.350 0.003 0.000 0.278 286 T C 0.720 175.422 174.700 0.004 0.000 1.010 286 T CA 0.274 62.375 62.100 0.002 0.000 0.909 286 T CB -0.507 68.362 68.868 0.003 0.000 1.122 286 T HN 0.470 nan 8.240 nan 0.000 0.536 287 K N 1.525 121.928 120.400 0.005 0.000 2.187 287 K HA 0.618 4.940 4.320 0.003 0.000 0.247 287 K C 0.728 177.332 176.600 0.007 0.000 1.019 287 K CA -0.182 56.109 56.287 0.007 0.000 0.893 287 K CB 0.510 33.015 32.500 0.010 0.000 1.025 287 K HN 0.394 nan 8.250 nan 0.000 0.500 288 A N 0.694 123.518 122.820 0.008 0.000 2.240 288 A HA 0.289 4.611 4.320 0.003 0.000 0.292 288 A C 1.282 178.873 177.584 0.011 0.000 1.121 288 A CA -0.177 51.865 52.037 0.008 0.000 0.851 288 A CB -0.053 18.951 19.000 0.006 0.000 1.167 288 A HN 0.584 nan 8.150 nan 0.000 0.503 289 L N -2.697 118.532 121.223 0.010 0.000 2.313 289 L HA 0.121 4.463 4.340 0.003 0.000 0.214 289 L C 1.565 178.445 176.870 0.017 0.000 1.119 289 L CA 2.172 57.021 54.840 0.014 0.000 0.809 289 L CB -1.397 40.667 42.059 0.009 0.000 0.933 289 L HN 0.480 nan 8.230 nan 0.000 0.449 290 T N -1.327 113.234 114.554 0.012 0.000 3.088 290 T HA 0.034 4.386 4.350 0.003 0.000 0.259 290 T C 0.600 175.310 174.700 0.016 0.000 1.122 290 T CA 0.178 62.284 62.100 0.010 0.000 1.095 290 T CB -0.286 68.584 68.868 0.004 0.000 0.930 290 T HN 0.291 nan 8.240 nan 0.000 0.508 291 E N 1.853 122.065 120.200 0.020 0.000 2.366 291 E HA 0.190 4.542 4.350 0.003 0.000 0.266 291 E C -0.698 175.926 176.600 0.039 0.000 1.015 291 E CA -0.062 56.353 56.400 0.024 0.000 0.906 291 E CB 0.498 30.210 29.700 0.021 0.000 0.979 291 E HN -0.014 nan 8.360 nan 0.000 0.443 292 V N 6.133 126.071 119.914 0.041 0.000 2.530 292 V HA 0.155 4.277 4.120 0.003 0.000 0.282 292 V C 0.048 176.182 176.094 0.068 0.000 1.048 292 V CA -0.415 61.923 62.300 0.065 0.000 0.997 292 V CB 0.921 32.776 31.823 0.053 0.000 0.987 292 V HN 0.565 nan 8.190 nan 0.000 0.477 293 I N 6.635 127.263 120.570 0.096 0.000 2.382 293 I HA 0.381 4.553 4.170 0.003 0.000 0.285 293 I C -2.428 173.732 176.117 0.073 0.000 1.007 293 I CA -2.876 58.462 61.300 0.064 0.000 1.142 293 I CB 1.358 39.383 38.000 0.042 0.000 1.289 293 I HN 0.413 nan 8.210 nan 0.000 0.453 294 P HA 0.177 nan 4.420 nan 0.000 0.265 294 P C -0.083 177.219 177.300 0.003 0.000 1.222 294 P CA -0.137 62.988 63.100 0.042 0.000 0.767 294 P CB 0.355 32.071 31.700 0.027 0.000 0.801 295 L N 2.834 124.049 121.223 -0.014 0.000 2.456 295 L HA 0.120 4.462 4.340 0.003 0.000 0.272 295 L C 1.545 178.383 176.870 -0.052 0.000 1.189 295 L CA -0.019 54.773 54.840 -0.080 0.000 0.846 295 L CB -0.050 41.922 42.059 -0.144 0.000 1.111 295 L HN 0.413 nan 8.230 nan 0.000 0.475 296 T N -1.520 112.996 114.554 -0.064 0.000 2.732 296 T HA 0.053 4.405 4.350 0.003 0.000 0.287 296 T C 0.887 175.558 174.700 -0.048 0.000 0.993 296 T CA -0.531 61.540 62.100 -0.048 0.000 0.966 296 T CB 1.349 70.188 68.868 -0.050 0.000 1.047 296 T HN 0.612 nan 8.240 nan 0.000 0.527 297 E N 0.675 120.852 120.200 -0.039 0.000 2.028 297 E HA -0.150 4.202 4.350 0.003 0.000 0.191 297 E C 2.230 178.802 176.600 -0.047 0.000 0.988 297 E CA 1.527 57.905 56.400 -0.037 0.000 0.799 297 E CB -0.235 29.447 29.700 -0.029 0.000 0.755 297 E HN 0.787 nan 8.360 nan 0.000 0.447 298 E N 0.358 120.528 120.200 -0.049 0.000 2.204 298 E HA -0.143 4.209 4.350 0.003 0.000 0.194 298 E C 1.891 178.449 176.600 -0.069 0.000 0.989 298 E CA 1.125 57.492 56.400 -0.055 0.000 0.824 298 E CB -0.446 29.223 29.700 -0.052 0.000 0.756 298 E HN 0.290 nan 8.360 nan 0.000 0.477 299 A N 1.323 124.095 122.820 -0.081 0.000 1.929 299 A HA -0.130 4.192 4.320 0.003 0.000 0.216 299 A C 2.114 179.625 177.584 -0.121 0.000 1.176 299 A CA 1.408 53.379 52.037 -0.110 0.000 0.628 299 A CB -0.368 18.553 19.000 -0.132 0.000 0.816 299 A HN 0.236 nan 8.150 nan 0.000 0.444 300 E N -0.085 120.054 120.200 -0.101 0.000 2.072 300 E HA -0.040 4.312 4.350 0.003 0.000 0.190 300 E C 1.871 178.430 176.600 -0.068 0.000 0.982 300 E CA 0.719 57.066 56.400 -0.088 0.000 0.803 300 E CB -0.249 29.417 29.700 -0.057 0.000 0.755 300 E HN 0.588 nan 8.360 nan 0.000 0.453 301 L N 0.571 121.758 121.223 -0.059 0.000 2.081 301 L HA -0.228 4.113 4.340 0.003 0.000 0.212 301 L C 2.548 179.382 176.870 -0.060 0.000 1.080 301 L CA 1.639 56.448 54.840 -0.052 0.000 0.754 301 L CB -0.332 41.698 42.059 -0.048 0.000 0.893 301 L HN 0.241 nan 8.230 nan 0.000 0.433 302 E N 0.235 120.391 120.200 -0.073 0.000 2.112 302 E HA -0.169 4.183 4.350 0.003 0.000 0.190 302 E C 2.344 178.893 176.600 -0.086 0.000 0.979 302 E CA 0.358 56.712 56.400 -0.078 0.000 0.814 302 E CB 0.093 29.742 29.700 -0.084 0.000 0.762 302 E HN 0.427 nan 8.360 nan 0.000 0.460 303 L N 0.349 121.509 121.223 -0.104 0.000 2.201 303 L HA -0.108 4.234 4.340 0.003 0.000 0.212 303 L C 2.255 179.083 176.870 -0.071 0.000 1.105 303 L CA 1.024 55.798 54.840 -0.110 0.000 0.775 303 L CB -0.292 41.676 42.059 -0.153 0.000 0.913 303 L HN 0.228 nan 8.230 nan 0.000 0.440 304 A N -0.021 122.764 122.820 -0.059 0.000 1.841 304 A HA -0.223 4.099 4.320 0.003 0.000 0.214 304 A C 1.989 179.547 177.584 -0.044 0.000 1.195 304 A CA 1.497 53.508 52.037 -0.042 0.000 0.611 304 A CB -0.560 18.419 19.000 -0.037 0.000 0.835 304 A HN 0.474 nan 8.150 nan 0.000 0.443 305 E N 0.087 120.258 120.200 -0.048 0.000 2.086 305 E HA -0.246 4.106 4.350 0.003 0.000 0.200 305 E C 1.813 178.381 176.600 -0.053 0.000 1.012 305 E CA 1.471 57.842 56.400 -0.048 0.000 0.812 305 E CB -0.341 29.329 29.700 -0.050 0.000 0.743 305 E HN 0.558 nan 8.360 nan 0.000 0.453 306 N N 0.633 119.296 118.700 -0.061 0.000 2.188 306 N HA -0.145 4.597 4.740 0.003 0.000 0.184 306 N C 1.837 177.300 175.510 -0.080 0.000 1.018 306 N CA 0.815 53.821 53.050 -0.073 0.000 0.858 306 N CB -0.310 38.131 38.487 -0.077 0.000 0.989 306 N HN 0.025 nan 8.380 nan 0.000 0.426 307 R N 1.363 121.826 120.500 -0.061 0.000 2.152 307 R HA -0.120 4.221 4.340 0.003 0.000 0.232 307 R C 1.943 178.211 176.300 -0.053 0.000 1.117 307 R CA 1.344 57.415 56.100 -0.049 0.000 0.981 307 R CB -0.086 30.199 30.300 -0.025 0.000 0.870 307 R HN 0.338 nan 8.270 nan 0.000 0.451 308 E N -0.155 120.016 120.200 -0.049 0.000 2.075 308 E HA -0.015 4.337 4.350 0.003 0.000 0.190 308 E C 1.778 178.352 176.600 -0.042 0.000 0.969 308 E CA 1.123 57.499 56.400 -0.039 0.000 0.815 308 E CB -0.228 29.453 29.700 -0.032 0.000 0.776 308 E HN 0.351 nan 8.360 nan 0.000 0.457 309 I N 0.582 121.124 120.570 -0.046 0.000 2.236 309 I HA -0.244 3.928 4.170 0.003 0.000 0.249 309 I C 1.737 177.821 176.117 -0.056 0.000 1.102 309 I CA 0.739 62.025 61.300 -0.022 0.000 1.365 309 I CB -0.279 37.712 38.000 -0.015 0.000 1.051 309 I HN 0.244 nan 8.210 nan 0.000 0.420 310 L N 0.441 121.550 121.223 -0.190 0.000 2.552 310 L HA -0.049 4.293 4.340 0.003 0.000 0.227 310 L C 2.174 178.942 176.870 -0.170 0.000 1.146 310 L CA 1.349 55.956 54.840 -0.389 0.000 0.858 310 L CB -0.926 40.902 42.059 -0.385 0.000 0.969 310 L HN 0.084 nan 8.230 nan 0.000 0.451 311 K N 0.159 120.516 120.400 -0.070 0.000 1.985 311 K HA -0.120 4.202 4.320 0.003 0.000 0.210 311 K C 0.832 177.437 176.600 0.008 0.000 1.047 311 K CA 1.028 57.298 56.287 -0.028 0.000 0.932 311 K CB -0.030 32.458 32.500 -0.019 0.000 0.716 311 K HN 0.271 nan 8.250 nan 0.000 0.439 312 E N 1.895 122.115 120.200 0.034 0.000 2.331 312 E HA 0.135 4.487 4.350 0.003 0.000 0.272 312 E C -2.592 174.083 176.600 0.124 0.000 1.036 312 E CA -2.408 54.023 56.400 0.051 0.000 0.864 312 E CB 0.437 30.151 29.700 0.024 0.000 1.035 312 E HN 0.003 nan 8.360 nan 0.000 0.408 313 P HA 0.175 nan 4.420 nan 0.000 0.275 313 P C -0.583 176.693 177.300 -0.040 0.000 1.227 313 P CA -0.461 62.715 63.100 0.126 0.000 0.781 313 P CB 1.083 32.833 31.700 0.082 0.000 0.906 314 V N 3.732 123.503 119.914 -0.239 0.000 2.735 314 V HA 0.416 4.538 4.120 0.003 0.000 0.310 314 V C 0.204 175.943 176.094 -0.592 0.000 1.061 314 V CA -0.580 61.369 62.300 -0.585 0.000 0.913 314 V CB 1.811 33.106 31.823 -0.879 0.000 1.005 314 V HN 0.767 nan 8.190 nan 0.000 0.428 315 H N 1.418 120.210 119.070 -0.463 0.000 2.797 315 H HA 0.804 5.363 4.556 0.005 0.000 0.372 315 H C -0.276 174.655 175.328 -0.662 0.000 1.168 315 H CA -0.860 54.848 56.048 -0.567 0.000 1.163 315 H CB 2.483 31.981 29.762 -0.441 0.000 1.778 315 H HN 0.773 nan 8.280 nan 0.000 0.551 316 G N 0.664 108.920 108.800 -0.907 0.000 2.400 316 G HA2 0.474 4.436 3.960 0.003 0.000 0.333 316 G HA3 0.474 4.436 3.960 0.003 0.000 0.333 316 G C 0.228 174.834 174.900 -0.490 0.000 1.143 316 G CA -0.374 44.238 45.100 -0.813 0.000 0.914 316 G HN 0.672 nan 8.290 nan 0.000 0.480 317 V N -0.355 119.493 119.914 -0.110 0.000 3.556 317 V HA 0.661 4.783 4.120 0.003 0.000 0.292 317 V C -0.329 175.815 176.094 0.084 0.000 1.030 317 V CA -1.132 61.136 62.300 -0.054 0.000 1.009 317 V CB 0.670 32.514 31.823 0.035 0.000 1.242 317 V HN 0.538 nan 8.190 nan 0.000 0.431 318 Y N -0.931 119.544 120.300 0.292 0.000 2.545 318 Y HA 0.540 5.090 4.550 -0.001 0.000 0.324 318 Y C -0.233 175.838 175.900 0.285 0.000 1.220 318 Y CA -1.160 57.125 58.100 0.308 0.000 1.290 318 Y CB 0.947 39.541 38.460 0.224 0.000 1.355 318 Y HN 0.708 nan 8.280 nan 0.000 0.516 319 Y N 1.982 122.510 120.300 0.379 0.000 2.365 319 Y HA 0.244 4.797 4.550 0.005 0.000 0.340 319 Y C -0.467 175.509 175.900 0.125 0.000 1.016 319 Y CA -1.187 57.046 58.100 0.222 0.000 1.196 319 Y CB 0.394 39.057 38.460 0.337 0.000 1.167 319 Y HN 0.469 nan 8.280 nan 0.000 0.509 320 D N 8.995 129.147 120.400 -0.413 0.000 2.443 320 D HA 0.269 4.911 4.640 0.003 0.000 0.221 320 D C -2.101 173.728 176.300 -0.786 0.000 1.097 320 D CA -2.427 51.304 54.000 -0.449 0.000 0.865 320 D CB 1.766 42.446 40.800 -0.199 0.000 1.034 320 D HN 0.368 nan 8.370 nan 0.000 0.511 321 P HA -0.090 nan 4.420 nan 0.000 0.223 321 P C 0.736 177.878 177.300 -0.264 0.000 1.144 321 P CA 0.828 63.553 63.100 -0.625 0.000 0.783 321 P CB 0.225 31.776 31.700 -0.249 0.000 0.771 322 S N -3.086 112.480 115.700 -0.224 0.000 2.540 322 S HA 0.223 4.695 4.470 0.003 0.000 0.218 322 S C 0.595 175.131 174.600 -0.108 0.000 0.977 322 S CA -0.256 57.871 58.200 -0.121 0.000 0.918 322 S CB -0.138 63.006 63.200 -0.094 0.000 0.806 322 S HN 0.081 nan 8.310 nan 0.000 0.496 323 K N 1.100 121.415 120.400 -0.141 0.000 2.238 323 K HA 0.498 4.820 4.320 0.003 0.000 0.239 323 K C -1.339 175.205 176.600 -0.094 0.000 0.987 323 K CA -0.926 55.297 56.287 -0.106 0.000 0.857 323 K CB 0.678 33.114 32.500 -0.108 0.000 1.154 323 K HN -0.042 nan 8.250 nan 0.000 0.439 324 D N 1.087 121.435 120.400 -0.087 0.000 2.339 324 D HA 0.200 4.841 4.640 0.003 0.000 0.245 324 D C -0.347 175.859 176.300 -0.157 0.000 1.115 324 D CA -0.115 53.825 54.000 -0.101 0.000 0.917 324 D CB 0.656 41.397 40.800 -0.098 0.000 1.192 324 D HN 0.191 nan 8.370 nan 0.000 0.428 325 L N 1.975 123.068 121.223 -0.217 0.000 2.312 325 L HA 0.362 4.704 4.340 0.003 0.000 0.281 325 L C -0.230 176.396 176.870 -0.406 0.000 1.070 325 L CA -0.606 54.016 54.840 -0.364 0.000 0.805 325 L CB 0.878 42.635 42.059 -0.504 0.000 1.174 325 L HN 0.121 nan 8.230 nan 0.000 0.434 326 I N 2.864 123.113 120.570 -0.535 0.000 2.418 326 I HA 0.460 4.632 4.170 0.003 0.000 0.287 326 I C 0.131 175.824 176.117 -0.707 0.000 1.008 326 I CA -0.466 60.456 61.300 -0.629 0.000 1.104 326 I CB 1.551 39.072 38.000 -0.798 0.000 1.264 326 I HN 0.580 nan 8.210 nan 0.000 0.438 327 A N 5.706 128.161 122.820 -0.609 0.000 2.304 327 A HA 0.675 4.997 4.320 0.003 0.000 0.323 327 A C -0.268 177.192 177.584 -0.208 0.000 1.195 327 A CA -0.501 51.258 52.037 -0.463 0.000 0.826 327 A CB 1.050 19.601 19.000 -0.748 0.000 1.184 327 A HN 0.738 nan 8.150 nan 0.000 0.496 328 E N 1.831 122.017 120.200 -0.022 0.000 2.210 328 E HA 0.637 4.989 4.350 0.003 0.000 0.266 328 E C -1.311 175.394 176.600 0.176 0.000 0.883 328 E CA -0.346 56.114 56.400 0.099 0.000 0.761 328 E CB 1.348 31.152 29.700 0.173 0.000 1.156 328 E HN 0.648 nan 8.360 nan 0.000 0.412 329 I N 3.051 123.724 120.570 0.173 0.000 2.569 329 I HA 0.327 4.499 4.170 0.003 0.000 0.296 329 I C -0.828 175.413 176.117 0.206 0.000 1.028 329 I CA -0.943 60.493 61.300 0.228 0.000 1.082 329 I CB 2.001 40.114 38.000 0.187 0.000 1.264 329 I HN 0.417 nan 8.210 nan 0.000 0.429 330 Q N 4.128 124.068 119.800 0.233 0.000 2.356 330 Q HA 0.358 4.700 4.340 0.003 0.000 0.270 330 Q C -0.776 175.277 176.000 0.088 0.000 1.058 330 Q CA -0.817 55.067 55.803 0.136 0.000 0.802 330 Q CB 2.562 31.324 28.738 0.041 0.000 1.303 330 Q HN 0.332 nan 8.270 nan 0.000 0.444 331 K N 1.684 121.999 120.400 -0.142 0.000 2.383 331 K HA -0.001 4.321 4.320 0.003 0.000 0.286 331 K C 0.147 176.510 176.600 -0.396 0.000 1.051 331 K CA 0.377 56.241 56.287 -0.705 0.000 0.974 331 K CB 0.584 32.641 32.500 -0.738 0.000 0.968 331 K HN 0.708 nan 8.250 nan 0.000 0.475 332 Q N 2.608 122.167 119.800 -0.402 0.000 2.281 332 Q HA 0.159 4.501 4.340 0.003 0.000 0.215 332 Q C 0.075 175.948 176.000 -0.211 0.000 0.867 332 Q CA 0.195 55.869 55.803 -0.216 0.000 0.940 332 Q CB 0.796 29.457 28.738 -0.129 0.000 1.111 332 Q HN 0.959 nan 8.270 nan 0.000 0.513 333 G N 0.140 108.763 108.800 -0.295 0.000 2.360 333 G HA2 0.010 3.972 3.960 0.003 0.000 0.276 333 G HA3 0.010 3.972 3.960 0.003 0.000 0.276 333 G C -1.701 173.066 174.900 -0.221 0.000 1.256 333 G CA -0.968 44.006 45.100 -0.210 0.000 0.890 333 G HN 0.062 nan 8.290 nan 0.000 0.486 334 Q N 0.862 120.581 119.800 -0.135 0.000 2.388 334 Q HA 0.451 4.792 4.340 0.003 0.000 0.246 334 Q C 1.190 177.153 176.000 -0.061 0.000 1.246 334 Q CA 1.329 57.078 55.803 -0.090 0.000 0.895 334 Q CB 0.197 28.898 28.738 -0.062 0.000 1.510 334 Q HN 2.108 nan 8.270 nan 0.000 0.503 335 G N 1.872 110.643 108.800 -0.047 0.000 2.184 335 G HA2 -0.339 3.623 3.960 0.003 0.000 0.264 335 G HA3 -0.339 3.623 3.960 0.003 0.000 0.264 335 G C -0.023 174.937 174.900 0.101 0.000 0.975 335 G CA -0.062 45.101 45.100 0.105 0.000 0.642 335 G HN 0.507 nan 8.290 nan 0.000 0.536 336 Q N -1.104 118.608 119.800 -0.146 0.000 2.256 336 Q HA 0.609 4.951 4.340 0.003 0.000 0.257 336 Q C -0.790 175.015 176.000 -0.325 0.000 0.936 336 Q CA -0.624 55.127 55.803 -0.088 0.000 0.903 336 Q CB 1.057 29.743 28.738 -0.088 0.000 1.263 336 Q HN 0.390 nan 8.270 nan 0.000 0.440 337 W N 0.529 121.904 121.300 0.125 0.000 2.915 337 W HA 0.512 5.173 4.660 0.002 0.000 0.337 337 W C -0.252 176.360 176.519 0.156 0.000 1.102 337 W CA -0.584 56.857 57.345 0.160 0.000 1.224 337 W CB 2.094 31.703 29.460 0.250 0.000 1.416 337 W HN 0.346 nan 8.180 nan 0.000 0.503 338 T N 2.037 116.781 114.554 0.316 0.000 2.907 338 T HA 0.741 5.092 4.350 0.003 0.000 0.292 338 T C -1.493 173.360 174.700 0.256 0.000 1.043 338 T CA -0.420 61.784 62.100 0.172 0.000 1.003 338 T CB 0.813 69.709 68.868 0.047 0.000 1.084 338 T HN 0.350 nan 8.240 nan 0.000 0.483 339 Y N 0.917 121.298 120.300 0.136 0.000 2.615 339 Y HA 0.846 5.398 4.550 0.002 0.000 0.341 339 Y C -1.457 174.498 175.900 0.093 0.000 1.089 339 Y CA -1.310 56.859 58.100 0.115 0.000 1.049 339 Y CB 1.335 39.867 38.460 0.120 0.000 1.296 339 Y HN 0.445 nan 8.280 nan 0.000 0.470 340 Q N 2.114 122.087 119.800 0.288 0.000 2.331 340 Q HA 0.589 4.931 4.340 0.003 0.000 0.272 340 Q C -1.455 174.667 176.000 0.202 0.000 1.062 340 Q CA -0.599 55.333 55.803 0.214 0.000 0.806 340 Q CB 3.008 31.873 28.738 0.211 0.000 1.312 340 Q HN 0.654 nan 8.270 nan 0.000 0.431 341 I N 3.369 124.046 120.570 0.178 0.000 2.377 341 I HA 0.554 4.726 4.170 0.003 0.000 0.293 341 I C -0.647 175.489 176.117 0.032 0.000 0.987 341 I CA -0.921 60.375 61.300 -0.007 0.000 1.185 341 I CB 0.452 38.477 38.000 0.041 0.000 1.341 341 I HN 0.703 nan 8.210 nan 0.000 0.455 342 Y N 3.329 123.578 120.300 -0.084 0.000 2.705 342 Y HA 0.491 5.043 4.550 0.003 0.000 0.332 342 Y C -0.112 175.703 175.900 -0.142 0.000 1.221 342 Y CA -0.938 57.111 58.100 -0.086 0.000 1.059 342 Y CB 1.235 39.672 38.460 -0.037 0.000 1.298 342 Y HN 0.473 nan 8.280 nan 0.000 0.459 343 Q N -0.303 119.594 119.800 0.162 0.000 2.342 343 Q HA 0.231 4.573 4.340 0.003 0.000 0.261 343 Q C -0.778 175.293 176.000 0.119 0.000 0.841 343 Q CA 0.220 56.051 55.803 0.046 0.000 0.969 343 Q CB 1.491 30.207 28.738 -0.036 0.000 1.136 343 Q HN 0.722 nan 8.270 nan 0.000 0.528 344 E N 1.830 122.098 120.200 0.113 0.000 2.265 344 E HA 0.242 4.594 4.350 0.003 0.000 0.262 344 E C -2.680 173.737 176.600 -0.304 0.000 0.889 344 E CA -2.445 53.918 56.400 -0.063 0.000 0.789 344 E CB 1.932 31.584 29.700 -0.081 0.000 1.221 344 E HN -0.114 nan 8.360 nan 0.000 0.414 345 P HA 0.080 nan 4.420 nan 0.000 0.271 345 P C -0.544 176.206 177.300 -0.916 0.000 1.216 345 P CA 0.031 62.287 63.100 -1.406 0.000 0.776 345 P CB 0.417 30.971 31.700 -1.911 0.000 0.881 346 F N 1.186 120.908 119.950 -0.379 0.000 2.942 346 F HA 0.297 4.826 4.527 0.004 0.000 0.324 346 F C 1.109 176.713 175.800 -0.327 0.000 1.265 346 F CA -0.396 57.283 58.000 -0.535 0.000 1.255 346 F CB 0.310 39.081 39.000 -0.382 0.000 1.048 346 F HN -0.019 nan 8.300 nan 0.000 0.512 347 K N 1.464 121.752 120.400 -0.185 0.000 2.219 347 K HA 0.150 4.472 4.320 0.003 0.000 0.280 347 K C -0.213 176.385 176.600 -0.004 0.000 1.104 347 K CA -0.151 56.085 56.287 -0.086 0.000 0.925 347 K CB 0.072 32.527 32.500 -0.074 0.000 1.261 347 K HN 0.380 nan 8.250 nan 0.000 0.445 348 N N 2.567 121.272 118.700 0.008 0.000 2.513 348 N HA -0.012 4.730 4.740 0.003 0.000 0.268 348 N C 0.660 176.231 175.510 0.102 0.000 1.180 348 N CA -0.425 52.683 53.050 0.097 0.000 0.948 348 N CB 0.737 39.254 38.487 0.050 0.000 1.083 348 N HN 0.273 nan 8.380 nan 0.000 0.455 349 L N 1.903 123.240 121.223 0.190 0.000 2.095 349 L HA 0.004 4.345 4.340 0.003 0.000 0.204 349 L C 0.546 177.702 176.870 0.477 0.000 1.080 349 L CA 1.485 56.523 54.840 0.330 0.000 0.759 349 L CB -0.314 41.925 42.059 0.299 0.000 0.914 349 L HN 0.677 nan 8.230 nan 0.000 0.439 350 K N -2.844 117.771 120.400 0.358 0.000 2.615 350 K HA 0.565 4.887 4.320 0.003 0.000 0.291 350 K C -0.824 175.888 176.600 0.188 0.000 1.017 350 K CA -0.644 55.850 56.287 0.345 0.000 0.882 350 K CB 1.331 34.069 32.500 0.397 0.000 1.522 350 K HN -0.158 nan 8.250 nan 0.000 0.412 351 T N -2.099 112.503 114.554 0.079 0.000 2.907 351 T HA 0.898 5.249 4.350 0.003 0.000 0.290 351 T C 0.013 174.518 174.700 -0.324 0.000 1.066 351 T CA -0.290 61.748 62.100 -0.103 0.000 1.012 351 T CB 1.818 70.622 68.868 -0.106 0.000 1.184 351 T HN 1.045 nan 8.240 nan 0.000 0.522 352 G N -0.094 108.170 108.800 -0.893 0.000 2.600 352 G HA2 0.608 4.570 3.960 0.003 0.000 0.293 352 G HA3 0.608 4.570 3.960 0.003 0.000 0.293 352 G C -2.015 172.372 174.900 -0.855 0.000 1.408 352 G CA -1.025 43.451 45.100 -1.040 0.000 0.782 352 G HN 0.846 nan 8.290 nan 0.000 0.482 353 K N -0.470 119.801 120.400 -0.215 0.000 2.581 353 K HA 0.525 4.847 4.320 0.003 0.000 0.249 353 K C -2.310 174.464 176.600 0.289 0.000 0.966 353 K CA -0.834 55.494 56.287 0.069 0.000 0.811 353 K CB 2.116 34.624 32.500 0.013 0.000 1.223 353 K HN 0.591 nan 8.250 nan 0.000 0.438 354 Y N 2.935 123.402 120.300 0.279 0.000 2.352 354 Y HA 0.611 5.162 4.550 0.003 0.000 0.339 354 Y C -0.332 175.730 175.900 0.271 0.000 0.992 354 Y CA 0.006 58.259 58.100 0.254 0.000 1.100 354 Y CB 2.180 40.773 38.460 0.222 0.000 1.192 354 Y HN 0.698 nan 8.280 nan 0.000 0.458 355 A N 5.162 127.660 122.820 -0.537 0.000 2.606 355 A HA 0.252 4.574 4.320 0.003 0.000 0.230 355 A C 0.702 178.058 177.584 -0.380 0.000 1.279 355 A CA -0.411 51.463 52.037 -0.271 0.000 1.010 355 A CB -0.010 18.924 19.000 -0.110 0.000 1.271 355 A HN 0.728 nan 8.150 nan 0.000 0.584 356 R N 0.661 120.716 120.500 -0.743 0.000 2.971 356 R HA 0.249 4.591 4.340 0.003 0.000 0.278 356 R C 0.188 176.415 176.300 -0.122 0.000 1.022 356 R CA 0.905 56.794 56.100 -0.352 0.000 1.187 356 R CB 0.156 30.298 30.300 -0.263 0.000 1.126 356 R HN 0.439 nan 8.270 nan 0.000 0.510 357 M N 1.098 120.691 119.600 -0.012 0.000 2.378 357 M HA 0.443 4.925 4.480 0.003 0.000 0.289 357 M C -1.547 174.786 176.300 0.054 0.000 1.136 357 M CA -0.605 54.728 55.300 0.055 0.000 0.917 357 M CB 2.154 34.779 32.600 0.040 0.000 1.669 357 M HN 0.426 nan 8.290 nan 0.000 0.461 358 R N 2.212 122.756 120.500 0.073 0.000 2.247 358 R HA 0.714 5.056 4.340 0.003 0.000 0.329 358 R C 0.447 176.783 176.300 0.061 0.000 1.014 358 R CA 0.604 56.746 56.100 0.070 0.000 0.907 358 R CB 0.582 30.934 30.300 0.087 0.000 1.146 358 R HN 1.174 nan 8.270 nan 0.000 0.499 359 G N 1.222 110.044 108.800 0.036 0.000 2.610 359 G HA2 -0.217 3.745 3.960 0.003 0.000 0.304 359 G HA3 -0.217 3.745 3.960 0.003 0.000 0.304 359 G C 0.286 175.133 174.900 -0.088 0.000 1.309 359 G CA -0.269 44.833 45.100 0.003 0.000 0.906 359 G HN 0.471 nan 8.290 nan 0.000 0.521 360 A N -0.985 121.674 122.820 -0.269 0.000 2.030 360 A HA 0.431 4.753 4.320 0.003 0.000 0.215 360 A C 0.874 178.136 177.584 -0.537 0.000 1.164 360 A CA 1.759 53.499 52.037 -0.496 0.000 0.697 360 A CB -0.156 18.375 19.000 -0.783 0.000 0.827 360 A HN 1.087 nan 8.150 nan 0.000 0.457 361 H N 0.286 119.407 119.070 0.084 0.000 2.823 361 H HA 0.492 5.049 4.556 0.003 0.000 0.332 361 H C -0.885 174.493 175.328 0.083 0.000 0.980 361 H CA 0.061 56.157 56.048 0.081 0.000 1.286 361 H CB 0.943 30.756 29.762 0.085 0.000 1.541 361 H HN 0.250 nan 8.280 nan 0.000 0.521 362 T N 0.496 115.139 114.554 0.148 0.000 2.887 362 T HA 0.471 4.823 4.350 0.003 0.000 0.292 362 T C 0.037 174.762 174.700 0.043 0.000 1.087 362 T CA -1.156 60.991 62.100 0.077 0.000 1.009 362 T CB 2.058 70.954 68.868 0.046 0.000 1.203 362 T HN 0.601 nan 8.240 nan 0.000 0.518 363 N N -0.696 117.955 118.700 -0.082 0.000 2.457 363 N HA 0.434 5.176 4.740 0.003 0.000 0.290 363 N C -0.075 175.358 175.510 -0.128 0.000 1.232 363 N CA -0.935 52.056 53.050 -0.098 0.000 0.852 363 N CB 0.363 38.709 38.487 -0.235 0.000 1.313 363 N HN 0.432 nan 8.380 nan 0.000 0.522 364 D N -0.389 120.003 120.400 -0.013 0.000 2.149 364 D HA -0.112 4.530 4.640 0.003 0.000 0.198 364 D C 1.651 177.864 176.300 -0.144 0.000 0.990 364 D CA 0.961 55.024 54.000 0.105 0.000 0.839 364 D CB -0.218 40.722 40.800 0.233 0.000 0.948 364 D HN 0.358 nan 8.370 nan 0.000 0.460 365 V N 0.549 120.219 119.914 -0.407 0.000 2.295 365 V HA -0.264 3.858 4.120 0.003 0.000 0.246 365 V C 2.372 178.122 176.094 -0.574 0.000 1.049 365 V CA 1.609 63.568 62.300 -0.569 0.000 1.024 365 V CB -0.420 30.765 31.823 -1.063 0.000 0.648 365 V HN 0.116 nan 8.190 nan 0.000 0.447 366 K N -0.359 119.631 120.400 -0.682 0.000 2.009 366 K HA -0.229 4.093 4.320 0.003 0.000 0.210 366 K C 2.398 178.814 176.600 -0.307 0.000 1.049 366 K CA 1.816 57.856 56.287 -0.411 0.000 0.929 366 K CB -0.255 32.051 32.500 -0.324 0.000 0.714 366 K HN 0.476 nan 8.250 nan 0.000 0.440 367 Q N 0.033 119.671 119.800 -0.270 0.000 2.135 367 Q HA -0.189 4.153 4.340 0.003 0.000 0.204 367 Q C 2.118 177.646 176.000 -0.785 0.000 0.981 367 Q CA 1.239 56.857 55.803 -0.308 0.000 0.856 367 Q CB -0.091 28.648 28.738 0.002 0.000 0.902 367 Q HN 0.219 nan 8.270 nan 0.000 0.425 368 L N 0.148 120.864 121.223 -0.844 0.000 2.093 368 L HA -0.111 4.230 4.340 0.003 0.000 0.208 368 L C 2.077 178.504 176.870 -0.740 0.000 1.085 368 L CA 1.834 56.069 54.840 -1.008 0.000 0.755 368 L CB -0.684 40.968 42.059 -0.678 0.000 0.904 368 L HN 0.042 nan 8.230 nan 0.000 0.435 369 T N -0.389 113.862 114.554 -0.505 0.000 2.788 369 T HA -0.185 4.167 4.350 0.003 0.000 0.268 369 T C 1.670 176.114 174.700 -0.427 0.000 1.044 369 T CA 1.803 63.669 62.100 -0.391 0.000 1.139 369 T CB -0.206 68.608 68.868 -0.090 0.000 0.867 369 T HN 0.468 nan 8.240 nan 0.000 0.454 370 E N 0.951 120.881 120.200 -0.449 0.000 2.106 370 E HA -0.004 4.348 4.350 0.003 0.000 0.192 370 E C 2.492 178.660 176.600 -0.720 0.000 0.984 370 E CA 0.943 57.071 56.400 -0.453 0.000 0.806 370 E CB -0.202 29.302 29.700 -0.326 0.000 0.750 370 E HN 0.477 nan 8.360 nan 0.000 0.458 371 A N 0.773 122.965 122.820 -1.046 0.000 1.873 371 A HA -0.139 4.183 4.320 0.003 0.000 0.215 371 A C 2.491 179.701 177.584 -0.624 0.000 1.186 371 A CA 1.086 52.517 52.037 -1.011 0.000 0.616 371 A CB -0.753 17.665 19.000 -0.970 0.000 0.823 371 A HN 0.122 nan 8.150 nan 0.000 0.442 372 V N -0.239 119.274 119.914 -0.670 0.000 2.282 372 V HA -0.361 3.761 4.120 0.003 0.000 0.249 372 V C 2.783 178.586 176.094 -0.486 0.000 1.057 372 V CA 2.579 64.415 62.300 -0.774 0.000 1.032 372 V CB -0.823 30.348 31.823 -1.086 0.000 0.645 372 V HN 0.630 nan 8.190 nan 0.000 0.447 373 Q N -0.241 119.322 119.800 -0.395 0.000 2.020 373 Q HA -0.189 4.152 4.340 0.003 0.000 0.202 373 Q C 2.366 178.275 176.000 -0.152 0.000 0.982 373 Q CA 1.898 57.570 55.803 -0.218 0.000 0.838 373 Q CB -0.405 28.234 28.738 -0.166 0.000 0.899 373 Q HN 0.516 nan 8.270 nan 0.000 0.423 374 K N 0.178 120.460 120.400 -0.196 0.000 2.020 374 K HA -0.188 4.134 4.320 0.003 0.000 0.212 374 K C 1.956 178.484 176.600 -0.121 0.000 1.050 374 K CA 1.637 57.853 56.287 -0.118 0.000 0.929 374 K CB -0.341 32.094 32.500 -0.108 0.000 0.714 374 K HN 0.252 nan 8.250 nan 0.000 0.443 375 I N 0.726 121.169 120.570 -0.211 0.000 2.335 375 I HA -0.265 3.907 4.170 0.003 0.000 0.251 375 I C 2.127 178.233 176.117 -0.018 0.000 1.129 375 I CA 1.320 62.488 61.300 -0.220 0.000 1.402 375 I CB -0.315 37.525 38.000 -0.267 0.000 1.069 375 I HN 0.260 nan 8.210 nan 0.000 0.424 376 T N -0.244 114.345 114.554 0.058 0.000 2.737 376 T HA -0.144 4.207 4.350 0.003 0.000 0.265 376 T C 1.937 176.662 174.700 0.042 0.000 1.038 376 T CA 1.952 64.115 62.100 0.105 0.000 1.144 376 T CB -0.371 68.550 68.868 0.088 0.000 0.866 376 T HN 0.332 nan 8.240 nan 0.000 0.434 377 T N 1.741 116.300 114.554 0.009 0.000 2.684 377 T HA -0.159 4.193 4.350 0.003 0.000 0.267 377 T C 1.922 176.611 174.700 -0.020 0.000 1.036 377 T CA 1.681 63.782 62.100 0.002 0.000 1.148 377 T CB -0.360 68.507 68.868 -0.001 0.000 0.863 377 T HN 0.564 nan 8.240 nan 0.000 0.436 378 E N 0.599 120.777 120.200 -0.036 0.000 2.070 378 E HA -0.178 4.174 4.350 0.003 0.000 0.197 378 E C 2.389 178.908 176.600 -0.135 0.000 1.004 378 E CA 1.503 57.854 56.400 -0.081 0.000 0.805 378 E CB -0.188 29.473 29.700 -0.065 0.000 0.744 378 E HN 0.309 nan 8.360 nan 0.000 0.451 379 S N 0.176 115.869 115.700 -0.012 0.000 2.370 379 S HA -0.148 4.324 4.470 0.003 0.000 0.226 379 S C 1.880 176.509 174.600 0.049 0.000 1.033 379 S CA 1.145 59.429 58.200 0.139 0.000 1.011 379 S CB -0.212 63.133 63.200 0.242 0.000 0.852 379 S HN 0.314 nan 8.310 nan 0.000 0.457 380 I N 1.241 121.824 120.570 0.022 0.000 2.118 380 I HA -0.146 4.026 4.170 0.003 0.000 0.241 380 I C 2.316 178.398 176.117 -0.058 0.000 1.070 380 I CA 1.253 62.558 61.300 0.008 0.000 1.327 380 I CB -1.670 36.340 38.000 0.016 0.000 1.034 380 I HN 0.169 nan 8.210 nan 0.000 0.405 381 V N 1.315 121.166 119.914 -0.103 0.000 2.261 381 V HA -0.259 3.862 4.120 0.003 0.000 0.246 381 V C 2.473 178.408 176.094 -0.266 0.000 1.047 381 V CA 1.905 64.120 62.300 -0.142 0.000 1.015 381 V CB -0.323 31.425 31.823 -0.126 0.000 0.642 381 V HN 0.297 nan 8.190 nan 0.000 0.446 382 I N -1.929 118.345 120.570 -0.494 0.000 2.406 382 I HA -0.135 4.037 4.170 0.003 0.000 0.249 382 I C 1.996 177.554 176.117 -0.931 0.000 1.122 382 I CA 1.326 62.109 61.300 -0.861 0.000 1.431 382 I CB -0.197 36.892 38.000 -1.518 0.000 1.087 382 I HN 0.416 nan 8.210 nan 0.000 0.424 383 W N 0.016 121.160 121.300 -0.261 0.000 2.868 383 W HA 0.369 5.030 4.660 0.002 0.000 0.320 383 W C 1.520 177.922 176.519 -0.195 0.000 1.076 383 W CA 0.634 57.740 57.345 -0.398 0.000 1.576 383 W CB -0.058 29.012 29.460 -0.651 0.000 1.030 383 W HN 0.300 nan 8.180 nan 0.000 0.558 384 G N 2.122 110.950 108.800 0.047 0.000 2.179 384 G HA2 -0.298 3.664 3.960 0.003 0.000 0.260 384 G HA3 -0.298 3.664 3.960 0.003 0.000 0.260 384 G C 0.234 175.188 174.900 0.090 0.000 0.977 384 G CA 0.942 46.078 45.100 0.060 0.000 0.641 384 G HN 0.342 nan 8.290 nan 0.000 0.533 385 K N -1.169 119.304 120.400 0.121 0.000 2.509 385 K HA 0.741 5.062 4.320 0.003 0.000 0.266 385 K C -0.891 175.763 176.600 0.090 0.000 0.987 385 K CA -0.519 55.826 56.287 0.097 0.000 0.868 385 K CB 1.585 34.140 32.500 0.093 0.000 1.421 385 K HN 0.192 nan 8.250 nan 0.000 0.444 386 T N 1.780 116.368 114.554 0.057 0.000 2.882 386 T HA 0.440 4.792 4.350 0.003 0.000 0.287 386 T C -2.311 172.357 174.700 -0.052 0.000 0.992 386 T CA -1.742 60.380 62.100 0.038 0.000 1.076 386 T CB 0.783 69.698 68.868 0.079 0.000 0.961 386 T HN 0.518 nan 8.240 nan 0.000 0.490 387 P HA 0.361 nan 4.420 nan 0.000 0.278 387 P C -0.998 176.084 177.300 -0.364 0.000 1.258 387 P CA -0.766 62.106 63.100 -0.380 0.000 0.811 387 P CB 0.601 31.916 31.700 -0.641 0.000 1.063 388 K N 1.684 121.898 120.400 -0.311 0.000 2.322 388 K HA 0.311 4.633 4.320 0.003 0.000 0.283 388 K C -0.081 176.344 176.600 -0.293 0.000 1.042 388 K CA 0.046 56.218 56.287 -0.192 0.000 0.958 388 K CB -0.147 32.267 32.500 -0.143 0.000 0.984 388 K HN 0.403 nan 8.250 nan 0.000 0.473 389 F N 1.552 121.456 119.950 -0.077 0.000 2.397 389 F HA 0.289 4.819 4.527 0.004 0.000 0.331 389 F C 0.835 176.639 175.800 0.007 0.000 1.090 389 F CA -0.372 57.587 58.000 -0.070 0.000 1.065 389 F CB 1.398 40.332 39.000 -0.110 0.000 1.184 389 F HN 0.119 nan 8.300 nan 0.000 0.499 390 K N 5.143 125.655 120.400 0.187 0.000 2.535 390 K HA 0.529 4.851 4.320 0.003 0.000 0.253 390 K C -1.425 175.254 176.600 0.131 0.000 0.953 390 K CA -0.451 55.927 56.287 0.153 0.000 0.863 390 K CB 1.811 34.358 32.500 0.078 0.000 1.111 390 K HN 0.495 nan 8.250 nan 0.000 0.431 391 L N 3.420 124.733 121.223 0.149 0.000 2.342 391 L HA 0.484 4.826 4.340 0.003 0.000 0.271 391 L C -2.054 174.843 176.870 0.045 0.000 1.008 391 L CA -2.368 52.484 54.840 0.021 0.000 0.818 391 L CB 1.876 43.780 42.059 -0.259 0.000 1.296 391 L HN 0.350 nan 8.230 nan 0.000 0.427 392 P HA 0.205 nan 4.420 nan 0.000 0.225 392 P C -0.636 176.808 177.300 0.239 0.000 1.768 392 P CA 0.416 63.559 63.100 0.071 0.000 0.943 392 P CB 0.075 31.820 31.700 0.076 0.000 1.936 393 I N -0.243 120.571 120.570 0.407 0.000 2.649 393 I HA 0.171 4.343 4.170 0.003 0.000 0.289 393 I C -0.636 175.812 176.117 0.552 0.000 1.222 393 I CA -0.783 60.733 61.300 0.361 0.000 1.046 393 I CB 2.209 40.258 38.000 0.082 0.000 1.272 393 I HN -0.171 nan 8.210 nan 0.000 0.425 394 Q N 6.445 126.382 119.800 0.229 0.000 2.395 394 Q HA 0.098 4.440 4.340 0.003 0.000 0.271 394 Q C 0.538 176.742 176.000 0.340 0.000 1.026 394 Q CA -0.114 55.701 55.803 0.019 0.000 0.900 394 Q CB 0.758 29.387 28.738 -0.182 0.000 1.266 394 Q HN 0.585 nan 8.270 nan 0.000 0.430 395 K N 1.832 122.396 120.400 0.272 0.000 2.147 395 K HA -0.195 4.126 4.320 0.003 0.000 0.205 395 K C 1.653 178.457 176.600 0.342 0.000 1.049 395 K CA 1.179 57.678 56.287 0.354 0.000 0.936 395 K CB 0.111 32.630 32.500 0.031 0.000 0.722 395 K HN 0.679 nan 8.250 nan 0.000 0.446 396 E N 0.414 120.717 120.200 0.171 0.000 2.072 396 E HA -0.119 4.233 4.350 0.003 0.000 0.191 396 E C 1.484 178.161 176.600 0.128 0.000 0.985 396 E CA 1.239 57.712 56.400 0.122 0.000 0.801 396 E CB 0.166 29.886 29.700 0.033 0.000 0.750 396 E HN 0.154 nan 8.360 nan 0.000 0.452 397 T N 1.159 115.786 114.554 0.122 0.000 2.684 397 T HA -0.204 4.148 4.350 0.003 0.000 0.267 397 T C 1.293 176.094 174.700 0.169 0.000 1.036 397 T CA 1.419 63.572 62.100 0.089 0.000 1.148 397 T CB -0.536 68.360 68.868 0.047 0.000 0.863 397 T HN 0.475 nan 8.240 nan 0.000 0.436 398 W N 2.283 123.675 121.300 0.154 0.000 2.381 398 W HA -0.061 4.601 4.660 0.004 0.000 0.301 398 W C 2.048 178.771 176.519 0.339 0.000 1.205 398 W CA 1.329 58.798 57.345 0.206 0.000 1.285 398 W CB -0.282 29.316 29.460 0.229 0.000 1.133 398 W HN 0.377 nan 8.180 nan 0.000 0.521 399 E N -0.177 120.205 120.200 0.303 0.000 2.110 399 E HA -0.183 4.169 4.350 0.003 0.000 0.193 399 E C 1.926 178.524 176.600 -0.003 0.000 0.988 399 E CA 1.946 58.529 56.400 0.305 0.000 0.804 399 E CB -0.172 29.736 29.700 0.348 0.000 0.745 399 E HN 0.056 nan 8.360 nan 0.000 0.458 400 T N 0.715 115.257 114.554 -0.021 0.000 2.904 400 T HA -0.128 4.224 4.350 0.003 0.000 0.267 400 T C 1.141 175.756 174.700 -0.141 0.000 1.059 400 T CA 0.892 62.931 62.100 -0.102 0.000 1.137 400 T CB -0.291 68.550 68.868 -0.046 0.000 0.879 400 T HN 0.422 nan 8.240 nan 0.000 0.467 401 W N 0.756 121.873 121.300 -0.305 0.000 2.380 401 W HA -0.160 4.502 4.660 0.003 0.000 0.317 401 W C 2.200 178.493 176.519 -0.377 0.000 1.196 401 W CA 1.221 58.340 57.345 -0.377 0.000 1.307 401 W CB -0.718 28.459 29.460 -0.472 0.000 1.157 401 W HN 0.400 nan 8.180 nan 0.000 0.483 402 W N 3.069 124.014 121.300 -0.592 0.000 2.301 402 W HA -0.348 4.314 4.660 0.003 0.000 0.325 402 W C 2.617 178.911 176.519 -0.375 0.000 1.250 402 W CA 4.035 61.047 57.345 -0.555 0.000 1.261 402 W CB -1.179 27.999 29.460 -0.471 0.000 1.157 402 W HN -0.024 nan 8.180 nan 0.000 0.473 403 T N -0.499 113.373 114.554 -1.138 0.000 2.720 403 T HA -0.322 4.030 4.350 0.003 0.000 0.268 403 T C 1.569 175.871 174.700 -0.664 0.000 1.037 403 T CA 2.010 63.310 62.100 -1.333 0.000 1.144 403 T CB -0.919 67.283 68.868 -1.110 0.000 0.864 403 T HN 0.685 nan 8.240 nan 0.000 0.444 404 E N -0.656 119.228 120.200 -0.527 0.000 2.447 404 E HA 0.049 4.400 4.350 0.003 0.000 0.195 404 E C 0.286 176.653 176.600 -0.387 0.000 1.028 404 E CA -0.637 55.538 56.400 -0.375 0.000 0.876 404 E CB -0.179 29.343 29.700 -0.296 0.000 0.885 404 E HN 0.564 nan 8.360 nan 0.000 0.500 405 Y N 1.802 121.627 120.300 -0.792 0.000 2.336 405 Y HA 0.009 4.561 4.550 0.003 0.000 0.331 405 Y C 1.059 176.630 175.900 -0.549 0.000 1.211 405 Y CA -1.302 56.205 58.100 -0.990 0.000 1.346 405 Y CB 0.513 38.036 38.460 -1.562 0.000 1.271 405 Y HN 0.106 nan 8.280 nan 0.000 0.538 406 W N 1.181 121.994 121.300 -0.811 0.000 2.523 406 W HA 0.058 4.720 4.660 0.003 0.000 0.278 406 W C -0.048 176.213 176.519 -0.430 0.000 1.236 406 W CA -0.135 56.897 57.345 -0.522 0.000 1.306 406 W CB -0.460 28.736 29.460 -0.440 0.000 1.101 406 W HN 0.375 nan 8.180 nan 0.000 0.577 407 Q N 1.378 120.824 119.800 -0.590 0.000 2.364 407 Q HA 0.318 4.660 4.340 0.003 0.000 0.267 407 Q C 0.279 176.292 176.000 0.021 0.000 0.999 407 Q CA 0.167 55.889 55.803 -0.135 0.000 0.886 407 Q CB 1.001 29.678 28.738 -0.102 0.000 1.243 407 Q HN 0.057 nan 8.270 nan 0.000 0.415 408 A N 2.100 124.977 122.820 0.095 0.000 2.425 408 A HA 0.462 4.784 4.320 0.003 0.000 0.249 408 A C 0.314 178.007 177.584 0.182 0.000 1.084 408 A CA 0.195 52.313 52.037 0.136 0.000 0.781 408 A CB 0.609 19.669 19.000 0.100 0.000 1.019 408 A HN 0.635 nan 8.150 nan 0.000 0.490 409 T N 1.540 116.233 114.554 0.231 0.000 2.816 409 T HA 0.654 5.005 4.350 0.003 0.000 0.299 409 T C -2.143 172.804 174.700 0.412 0.000 1.230 409 T CA -0.333 61.950 62.100 0.304 0.000 1.007 409 T CB 1.231 70.311 68.868 0.354 0.000 1.289 409 T HN 1.318 nan 8.240 nan 0.000 0.508 410 W N 5.111 126.509 121.300 0.163 0.000 4.520 410 W HA 0.383 5.045 4.660 0.003 0.000 0.250 410 W C -2.440 174.052 176.519 -0.045 0.000 1.336 410 W CA -1.004 56.391 57.345 0.083 0.000 1.372 410 W CB 0.154 29.612 29.460 -0.004 0.000 1.115 410 W HN 0.843 nan 8.180 nan 0.000 0.517 411 I N 4.784 124.893 120.570 -0.767 0.000 2.493 411 I HA 0.680 4.852 4.170 0.003 0.000 0.298 411 I C -1.817 173.460 176.117 -1.400 0.000 0.998 411 I CA -2.528 58.145 61.300 -1.045 0.000 1.137 411 I CB 1.716 39.029 38.000 -1.146 0.000 1.310 411 I HN 0.051 nan 8.210 nan 0.000 0.445 412 P HA 0.011 nan 4.420 nan 0.000 0.296 412 P C -0.425 176.731 177.300 -0.239 0.000 1.295 412 P CA -0.220 62.588 63.100 -0.486 0.000 0.754 412 P CB 0.342 31.998 31.700 -0.072 0.000 1.311 413 E N 0.346 120.514 120.200 -0.052 0.000 2.406 413 E HA 0.027 4.379 4.350 0.003 0.000 0.258 413 E C -0.605 176.060 176.600 0.108 0.000 1.043 413 E CA -0.138 56.247 56.400 -0.025 0.000 0.929 413 E CB 0.013 29.704 29.700 -0.015 0.000 0.969 413 E HN 0.332 nan 8.360 nan 0.000 0.462 414 W N 3.396 124.597 121.300 -0.164 0.000 3.032 414 W HA 0.620 5.282 4.660 0.002 0.000 0.341 414 W C -1.171 175.298 176.519 -0.082 0.000 1.202 414 W CA -0.963 56.314 57.345 -0.113 0.000 1.132 414 W CB 0.662 29.994 29.460 -0.213 0.000 1.465 414 W HN 0.348 nan 8.180 nan 0.000 0.576 415 E N 0.838 121.149 120.200 0.185 0.000 2.340 415 E HA 0.317 4.669 4.350 0.003 0.000 0.273 415 E C -1.756 175.038 176.600 0.324 0.000 0.891 415 E CA -1.046 55.368 56.400 0.022 0.000 0.757 415 E CB 3.326 33.036 29.700 0.018 0.000 1.231 415 E HN 0.283 nan 8.360 nan 0.000 0.439 416 F N 2.609 122.625 119.950 0.110 0.000 2.484 416 F HA 0.315 4.845 4.527 0.004 0.000 0.360 416 F C -0.663 175.219 175.800 0.136 0.000 1.101 416 F CA -0.144 57.983 58.000 0.212 0.000 1.251 416 F CB 0.753 39.839 39.000 0.143 0.000 1.132 416 F HN 0.125 nan 8.300 nan 0.000 0.570 417 V N 7.178 126.627 119.914 -0.774 0.000 2.638 417 V HA 0.350 4.472 4.120 0.003 0.000 0.306 417 V C -0.907 174.552 176.094 -1.057 0.000 1.052 417 V CA -0.865 61.012 62.300 -0.704 0.000 0.885 417 V CB 1.619 33.304 31.823 -0.231 0.000 0.999 417 V HN 0.828 nan 8.190 nan 0.000 0.424 418 N N 4.188 122.425 118.700 -0.772 0.000 2.895 418 N HA 0.234 4.976 4.740 0.003 0.000 0.277 418 N C -0.368 175.050 175.510 -0.152 0.000 1.185 418 N CA 0.082 52.903 53.050 -0.382 0.000 1.106 418 N CB 0.126 38.624 38.487 0.017 0.000 1.422 418 N HN 0.760 nan 8.380 nan 0.000 0.521 419 T N 4.348 118.815 114.554 -0.145 0.000 3.253 419 T HA 0.288 4.640 4.350 0.003 0.000 0.391 419 T C -2.407 172.279 174.700 -0.024 0.000 1.527 419 T CA -1.169 60.889 62.100 -0.070 0.000 1.268 419 T CB 1.223 70.049 68.868 -0.070 0.000 1.126 419 T HN 0.328 nan 8.240 nan 0.000 0.620 420 P HA 0.188 nan 4.420 nan 0.000 0.268 420 P C -2.463 174.835 177.300 -0.004 0.000 1.208 420 P CA -1.213 61.902 63.100 0.025 0.000 0.777 420 P CB -0.286 31.438 31.700 0.039 0.000 0.875 421 P HA 0.177 nan 4.420 nan 0.000 0.271 421 P C -0.118 177.218 177.300 0.060 0.000 1.220 421 P CA 0.112 63.232 63.100 0.033 0.000 0.768 421 P CB 0.583 32.293 31.700 0.017 0.000 0.848 422 L N 2.483 123.765 121.223 0.098 0.000 2.436 422 L HA 0.291 4.633 4.340 0.003 0.000 0.265 422 L C 0.942 177.865 176.870 0.089 0.000 1.168 422 L CA -0.837 54.078 54.840 0.125 0.000 0.815 422 L CB 0.938 43.093 42.059 0.160 0.000 1.109 422 L HN 0.200 nan 8.230 nan 0.000 0.462 423 V N 3.793 123.759 119.914 0.085 0.000 2.407 423 V HA 0.416 4.537 4.120 0.003 0.000 0.278 423 V C -0.215 175.802 176.094 -0.129 0.000 1.037 423 V CA -0.344 61.967 62.300 0.020 0.000 0.900 423 V CB 1.066 32.942 31.823 0.088 0.000 0.983 423 V HN 0.875 nan 8.190 nan 0.000 0.459 424 K N 5.776 125.953 120.400 -0.372 0.000 2.480 424 K HA 0.604 4.926 4.320 0.003 0.000 0.258 424 K C -1.425 174.740 176.600 -0.726 0.000 0.990 424 K CA -1.056 54.900 56.287 -0.552 0.000 0.857 424 K CB 2.180 34.238 32.500 -0.737 0.000 1.384 424 K HN 0.578 nan 8.250 nan 0.000 0.446 425 L N 1.358 122.274 121.223 -0.511 0.000 2.380 425 L HA 0.207 4.549 4.340 0.003 0.000 0.273 425 L C 0.267 176.856 176.870 -0.468 0.000 1.138 425 L CA -0.451 54.138 54.840 -0.418 0.000 0.832 425 L CB 0.289 42.219 42.059 -0.215 0.000 1.124 425 L HN 0.704 nan 8.230 nan 0.000 0.454 426 W N 2.322 123.576 121.300 -0.076 0.000 3.114 426 W HA 0.102 4.764 4.660 0.003 0.000 0.279 426 W C -0.273 176.359 176.519 0.189 0.000 1.277 426 W CA -0.387 56.994 57.345 0.060 0.000 1.630 426 W CB 0.370 29.908 29.460 0.131 0.000 1.087 426 W HN 0.486 nan 8.180 nan 0.000 0.637 427 Y N -1.809 118.606 120.300 0.191 0.000 2.573 427 Y HA 0.430 4.981 4.550 0.003 0.000 0.328 427 Y C -1.130 174.823 175.900 0.089 0.000 1.170 427 Y CA -2.028 56.148 58.100 0.127 0.000 1.078 427 Y CB 0.188 38.722 38.460 0.123 0.000 1.341 427 Y HN -0.273 nan 8.280 nan 0.000 0.459 428 Q N 3.914 123.802 119.800 0.147 0.000 2.316 428 Q HA 0.550 4.891 4.340 0.003 0.000 0.264 428 Q C -0.820 175.288 176.000 0.180 0.000 0.987 428 Q CA -0.892 54.956 55.803 0.075 0.000 0.852 428 Q CB 3.144 31.906 28.738 0.040 0.000 1.287 428 Q HN 0.809 nan 8.270 nan 0.000 0.448 429 L N 1.532 122.858 121.223 0.172 0.000 2.418 429 L HA 0.222 4.564 4.340 0.003 0.000 0.265 429 L C 0.854 177.804 176.870 0.133 0.000 1.143 429 L CA -0.602 54.338 54.840 0.165 0.000 0.809 429 L CB 0.363 42.505 42.059 0.139 0.000 1.124 429 L HN 0.386 nan 8.230 nan 0.000 0.456 430 E N 1.376 121.678 120.200 0.171 0.000 2.390 430 E HA 0.069 4.420 4.350 0.003 0.000 0.261 430 E C 0.120 176.863 176.600 0.238 0.000 1.076 430 E CA -0.081 56.430 56.400 0.184 0.000 0.905 430 E CB 1.100 30.921 29.700 0.202 0.000 0.984 430 E HN 0.424 nan 8.360 nan 0.000 0.427 431 K N 0.552 121.040 120.400 0.147 0.000 2.356 431 K HA 0.048 4.369 4.320 0.003 0.000 0.195 431 K C 0.075 176.752 176.600 0.130 0.000 1.037 431 K CA 0.450 56.821 56.287 0.140 0.000 1.014 431 K CB 0.541 33.073 32.500 0.053 0.000 0.815 431 K HN 0.314 nan 8.250 nan 0.000 0.507 432 E N 0.095 120.287 120.200 -0.013 0.000 2.369 432 E HA 0.328 4.679 4.350 0.003 0.000 0.270 432 E C -2.757 173.408 176.600 -0.726 0.000 0.909 432 E CA -2.708 53.521 56.400 -0.284 0.000 0.775 432 E CB 1.448 31.050 29.700 -0.163 0.000 1.270 432 E HN -0.221 nan 8.360 nan 0.000 0.445 433 P HA 0.070 nan 4.420 nan 0.000 0.265 433 P C -0.259 176.835 177.300 -0.343 0.000 1.187 433 P CA 0.374 62.961 63.100 -0.856 0.000 0.766 433 P CB 0.314 31.714 31.700 -0.501 0.000 0.820 434 I N 1.715 122.178 120.570 -0.179 0.000 2.472 434 I HA 0.198 4.370 4.170 0.003 0.000 0.290 434 I C 0.311 176.399 176.117 -0.047 0.000 1.016 434 I CA -0.771 60.487 61.300 -0.069 0.000 1.348 434 I CB 0.851 38.849 38.000 -0.003 0.000 1.417 434 I HN 0.004 nan 8.210 nan 0.000 0.521 435 V N 4.171 124.065 119.914 -0.033 0.000 2.617 435 V HA 0.457 4.579 4.120 0.003 0.000 0.298 435 V C 1.069 177.163 176.094 0.000 0.000 1.048 435 V CA 0.132 62.422 62.300 -0.017 0.000 0.964 435 V CB 1.078 32.889 31.823 -0.019 0.000 1.004 435 V HN 1.110 nan 8.190 nan 0.000 0.466 436 G N 3.097 111.902 108.800 0.008 0.000 2.187 436 G HA2 -0.108 3.854 3.960 0.003 0.000 0.261 436 G HA3 -0.108 3.854 3.960 0.003 0.000 0.261 436 G C 0.258 175.173 174.900 0.026 0.000 1.000 436 G CA 0.305 45.414 45.100 0.015 0.000 0.718 436 G HN 1.510 nan 8.290 nan 0.000 0.519 437 A N -0.298 122.542 122.820 0.032 0.000 2.304 437 A HA 0.720 5.042 4.320 0.003 0.000 0.323 437 A C 0.277 177.908 177.584 0.078 0.000 1.195 437 A CA -0.165 51.904 52.037 0.052 0.000 0.826 437 A CB 0.788 19.817 19.000 0.048 0.000 1.184 437 A HN 0.466 nan 8.150 nan 0.000 0.496 438 E N 1.765 122.030 120.200 0.109 0.000 2.406 438 E HA 0.092 4.444 4.350 0.003 0.000 0.258 438 E C -0.499 176.227 176.600 0.210 0.000 1.043 438 E CA 0.216 56.697 56.400 0.134 0.000 0.929 438 E CB 0.293 30.093 29.700 0.166 0.000 0.969 438 E HN 0.559 nan 8.360 nan 0.000 0.462 439 T N 5.973 120.618 114.554 0.151 0.000 2.775 439 T HA 0.111 4.462 4.350 0.003 0.000 0.287 439 T C -0.437 174.395 174.700 0.220 0.000 0.909 439 T CA -0.121 62.081 62.100 0.170 0.000 1.081 439 T CB -0.370 68.585 68.868 0.144 0.000 0.891 439 T HN 0.210 nan 8.240 nan 0.000 0.544 440 F N 3.137 123.070 119.950 -0.028 0.000 2.438 440 F HA 0.297 4.826 4.527 0.003 0.000 0.356 440 F C 0.258 176.072 175.800 0.022 0.000 1.099 440 F CA -1.123 56.871 58.000 -0.010 0.000 1.185 440 F CB 0.240 39.125 39.000 -0.193 0.000 1.115 440 F HN 0.473 nan 8.300 nan 0.000 0.526 441 Y N 3.351 123.745 120.300 0.158 0.000 2.404 441 Y HA 0.462 5.013 4.550 0.003 0.000 0.344 441 Y C 0.260 176.261 175.900 0.168 0.000 0.970 441 Y CA -1.091 57.079 58.100 0.117 0.000 1.180 441 Y CB 0.696 39.189 38.460 0.055 0.000 1.138 441 Y HN 0.402 nan 8.280 nan 0.000 0.510 442 V N -0.077 119.989 119.914 0.254 0.000 3.093 442 V HA 0.873 4.995 4.120 0.003 0.000 0.320 442 V C -0.834 175.354 176.094 0.157 0.000 1.093 442 V CA -0.497 61.953 62.300 0.250 0.000 1.016 442 V CB 2.278 34.229 31.823 0.213 0.000 1.096 442 V HN 0.592 nan 8.190 nan 0.000 0.452 443 D N -0.471 120.013 120.400 0.141 0.000 2.683 443 D HA 0.721 5.363 4.640 0.003 0.000 0.246 443 D C -0.578 175.775 176.300 0.088 0.000 1.238 443 D CA 0.569 54.623 54.000 0.090 0.000 0.759 443 D CB 1.959 42.795 40.800 0.060 0.000 1.349 443 D HN 1.228 nan 8.370 nan 0.000 0.426 444 G N -0.527 108.318 108.800 0.075 0.000 2.690 444 G HA2 0.918 4.880 3.960 0.003 0.000 0.293 444 G HA3 0.918 4.880 3.960 0.003 0.000 0.293 444 G C -1.563 173.375 174.900 0.064 0.000 1.399 444 G CA -0.054 45.091 45.100 0.075 0.000 0.890 444 G HN 0.732 nan 8.290 nan 0.000 0.485 445 A N -0.918 121.937 122.820 0.058 0.000 2.564 445 A HA 1.084 5.406 4.320 0.003 0.000 0.291 445 A C -0.912 176.698 177.584 0.044 0.000 1.102 445 A CA -0.018 52.051 52.037 0.053 0.000 0.660 445 A CB 1.289 20.323 19.000 0.056 0.000 1.283 445 A HN 2.600 nan 8.150 nan 0.000 0.430 446 A N 0.573 123.416 122.820 0.039 0.000 2.565 446 A HA 0.636 4.957 4.320 0.003 0.000 0.298 446 A C -1.378 176.221 177.584 0.026 0.000 1.062 446 A CA -0.567 51.489 52.037 0.030 0.000 0.723 446 A CB 0.991 20.007 19.000 0.027 0.000 1.282 446 A HN 0.854 nan 8.150 nan 0.000 0.400 447 N N 1.118 119.831 118.700 0.021 0.000 2.442 447 N HA 0.131 4.873 4.740 0.003 0.000 0.265 447 N C 1.172 176.691 175.510 0.014 0.000 1.138 447 N CA -0.175 52.885 53.050 0.017 0.000 0.956 447 N CB 0.829 39.325 38.487 0.014 0.000 1.067 447 N HN 0.681 nan 8.380 nan 0.000 0.474 448 R N 2.414 122.921 120.500 0.012 0.000 2.152 448 R HA -0.135 4.207 4.340 0.003 0.000 0.232 448 R C 0.708 177.012 176.300 0.008 0.000 1.117 448 R CA 1.246 57.351 56.100 0.009 0.000 0.981 448 R CB 0.257 30.562 30.300 0.008 0.000 0.870 448 R HN 0.552 nan 8.270 nan 0.000 0.451 449 E N -0.340 119.865 120.200 0.008 0.000 2.045 449 E HA -0.009 4.343 4.350 0.003 0.000 0.190 449 E C 1.986 178.591 176.600 0.008 0.000 0.968 449 E CA 1.237 57.641 56.400 0.007 0.000 0.813 449 E CB -0.166 29.537 29.700 0.006 0.000 0.780 449 E HN 0.066 nan 8.360 nan 0.000 0.455 450 T N 0.422 114.981 114.554 0.008 0.000 2.759 450 T HA -0.142 4.210 4.350 0.003 0.000 0.269 450 T C 0.624 175.331 174.700 0.011 0.000 1.042 450 T CA 1.452 63.558 62.100 0.009 0.000 1.140 450 T CB -0.136 68.738 68.868 0.010 0.000 0.864 450 T HN 0.012 nan 8.240 nan 0.000 0.455 451 K N -0.882 119.525 120.400 0.012 0.000 3.341 451 K HA -0.110 4.212 4.320 0.003 0.000 0.305 451 K C -0.331 176.279 176.600 0.016 0.000 1.270 451 K CA 0.101 56.396 56.287 0.013 0.000 0.897 451 K CB -2.041 30.466 32.500 0.012 0.000 1.264 451 K HN 0.293 nan 8.250 nan 0.000 0.468 452 L N -0.393 120.840 121.223 0.016 0.000 2.453 452 L HA 0.580 4.922 4.340 0.003 0.000 0.261 452 L C 0.693 177.576 176.870 0.021 0.000 1.179 452 L CA 1.011 55.862 54.840 0.017 0.000 0.813 452 L CB 1.013 43.081 42.059 0.015 0.000 1.110 452 L HN 0.226 nan 8.230 nan 0.000 0.466 453 G N 2.757 111.571 108.800 0.024 0.000 2.731 453 G HA2 0.565 4.527 3.960 0.003 0.000 0.298 453 G HA3 0.565 4.527 3.960 0.003 0.000 0.298 453 G C -1.621 173.298 174.900 0.031 0.000 1.424 453 G CA -0.699 44.419 45.100 0.030 0.000 1.029 453 G HN 0.495 nan 8.290 nan 0.000 0.518 454 K N 0.267 120.687 120.400 0.033 0.000 2.324 454 K HA 0.764 5.086 4.320 0.003 0.000 0.253 454 K C -0.543 176.083 176.600 0.042 0.000 0.932 454 K CA -0.607 55.699 56.287 0.030 0.000 0.799 454 K CB 2.653 35.166 32.500 0.021 0.000 1.154 454 K HN 0.695 nan 8.250 nan 0.000 0.425 455 A N 1.743 124.590 122.820 0.044 0.000 2.374 455 A HA 0.869 5.191 4.320 0.003 0.000 0.305 455 A C -0.529 177.085 177.584 0.051 0.000 1.053 455 A CA -0.458 51.617 52.037 0.064 0.000 0.726 455 A CB 1.585 20.638 19.000 0.088 0.000 1.229 455 A HN 0.788 nan 8.150 nan 0.000 0.431 456 G N 0.038 108.877 108.800 0.065 0.000 2.782 456 G HA2 0.782 4.743 3.960 0.003 0.000 0.304 456 G HA3 0.782 4.743 3.960 0.003 0.000 0.304 456 G C -1.357 173.631 174.900 0.145 0.000 1.315 456 G CA 0.035 45.141 45.100 0.011 0.000 0.791 456 G HN 1.907 nan 8.290 nan 0.000 0.519 457 Y N -2.754 117.605 120.300 0.099 0.000 2.641 457 Y HA 0.741 5.293 4.550 0.003 0.000 0.333 457 Y C -1.449 174.485 175.900 0.057 0.000 1.174 457 Y CA -1.609 56.569 58.100 0.130 0.000 1.057 457 Y CB 1.090 39.714 38.460 0.272 0.000 1.322 457 Y HN 0.575 nan 8.280 nan 0.000 0.457 458 V N 2.195 122.303 119.914 0.324 0.000 2.656 458 V HA 0.773 4.894 4.120 0.003 0.000 0.307 458 V C -0.131 176.046 176.094 0.138 0.000 1.051 458 V CA -0.050 62.344 62.300 0.158 0.000 0.893 458 V CB 1.843 33.679 31.823 0.022 0.000 0.999 458 V HN 1.134 nan 8.190 nan 0.000 0.426 459 T N -0.188 114.352 114.554 -0.023 0.000 2.949 459 T HA 0.326 4.678 4.350 0.003 0.000 0.287 459 T C 0.778 175.438 174.700 -0.066 0.000 1.034 459 T CA -0.518 61.500 62.100 -0.137 0.000 1.018 459 T CB 1.531 70.091 68.868 -0.513 0.000 1.135 459 T HN 0.650 nan 8.240 nan 0.000 0.532 460 N N 0.282 118.972 118.700 -0.017 0.000 2.461 460 N HA -0.032 4.709 4.740 0.003 0.000 0.188 460 N C 0.789 176.280 175.510 -0.031 0.000 1.134 460 N CA 0.017 53.062 53.050 -0.008 0.000 0.878 460 N CB -0.263 38.259 38.487 0.057 0.000 0.972 460 N HN 0.642 nan 8.380 nan 0.000 0.456 461 R N -0.130 120.336 120.500 -0.057 0.000 2.609 461 R HA 0.266 4.608 4.340 0.003 0.000 0.326 461 R C 0.593 176.861 176.300 -0.054 0.000 1.090 461 R CA 0.266 56.337 56.100 -0.049 0.000 1.072 461 R CB 0.108 30.378 30.300 -0.049 0.000 1.330 461 R HN 0.270 nan 8.270 nan 0.000 0.572 462 G N 1.583 110.349 108.800 -0.057 0.000 2.220 462 G HA2 -0.355 3.607 3.960 0.003 0.000 0.269 462 G HA3 -0.355 3.607 3.960 0.003 0.000 0.269 462 G C 0.333 175.206 174.900 -0.045 0.000 0.977 462 G CA -0.005 45.065 45.100 -0.049 0.000 0.634 462 G HN 0.309 nan 8.290 nan 0.000 0.539 463 R N 0.610 121.079 120.500 -0.051 0.000 2.679 463 R HA 0.404 4.745 4.340 0.003 0.000 0.268 463 R C 0.505 176.806 176.300 0.002 0.000 1.044 463 R CA 0.691 56.782 56.100 -0.015 0.000 1.105 463 R CB 0.176 30.474 30.300 -0.004 0.000 0.989 463 R HN 0.637 nan 8.270 nan 0.000 0.447 464 Q N 0.796 120.568 119.800 -0.047 0.000 2.565 464 Q HA 0.553 4.895 4.340 0.003 0.000 0.294 464 Q C -1.345 174.426 176.000 -0.382 0.000 1.005 464 Q CA -1.092 54.600 55.803 -0.185 0.000 0.771 464 Q CB 3.247 31.912 28.738 -0.121 0.000 1.486 464 Q HN 0.467 nan 8.270 nan 0.000 0.422 465 K N 0.030 120.108 120.400 -0.536 0.000 2.738 465 K HA 0.402 4.724 4.320 0.003 0.000 0.278 465 K C -2.417 173.960 176.600 -0.372 0.000 1.069 465 K CA -0.488 55.524 56.287 -0.459 0.000 0.942 465 K CB 2.019 34.168 32.500 -0.584 0.000 1.381 465 K HN 0.403 nan 8.250 nan 0.000 0.399 466 V N 5.737 125.537 119.914 -0.189 0.000 2.559 466 V HA 0.528 4.649 4.120 0.003 0.000 0.289 466 V C -0.722 175.339 176.094 -0.056 0.000 1.036 466 V CA -0.258 61.977 62.300 -0.108 0.000 0.887 466 V CB 1.373 33.151 31.823 -0.076 0.000 1.022 466 V HN 0.653 nan 8.190 nan 0.000 0.442 467 V N 4.184 124.081 119.914 -0.029 0.000 3.403 467 V HA 0.807 4.929 4.120 0.003 0.000 0.305 467 V C 0.233 176.332 176.094 0.009 0.000 1.060 467 V CA 0.036 62.334 62.300 -0.003 0.000 1.053 467 V CB 1.538 33.371 31.823 0.016 0.000 1.198 467 V HN 0.854 nan 8.190 nan 0.000 0.447 468 T N 2.543 117.107 114.554 0.016 0.000 2.861 468 T HA 0.707 5.059 4.350 0.003 0.000 0.287 468 T C -0.644 174.073 174.700 0.028 0.000 1.003 468 T CA -0.365 61.747 62.100 0.020 0.000 0.977 468 T CB 1.185 70.061 68.868 0.013 0.000 0.996 468 T HN 0.696 nan 8.240 nan 0.000 0.448 469 L N 2.774 124.016 121.223 0.031 0.000 2.365 469 L HA 0.660 5.002 4.340 0.003 0.000 0.273 469 L C 0.491 177.378 176.870 0.029 0.000 1.000 469 L CA -1.141 53.720 54.840 0.035 0.000 0.819 469 L CB 1.983 44.069 42.059 0.045 0.000 1.284 469 L HN 0.684 nan 8.230 nan 0.000 0.418 470 T N -2.199 112.371 114.554 0.027 0.000 2.795 470 T HA 0.248 4.600 4.350 0.003 0.000 0.282 470 T C 0.030 174.743 174.700 0.022 0.000 0.980 470 T CA -0.596 61.517 62.100 0.022 0.000 1.012 470 T CB 1.304 70.183 68.868 0.019 0.000 0.936 470 T HN 0.703 nan 8.240 nan 0.000 0.457 471 D N 1.828 122.240 120.400 0.020 0.000 3.038 471 D HA -0.147 4.495 4.640 0.003 0.000 0.229 471 D C -0.643 175.670 176.300 0.023 0.000 1.182 471 D CA 1.008 55.019 54.000 0.019 0.000 0.852 471 D CB -0.623 40.187 40.800 0.017 0.000 0.932 471 D HN 0.748 nan 8.370 nan 0.000 0.406 472 T N 0.661 115.230 114.554 0.025 0.000 2.906 472 T HA 0.593 4.945 4.350 0.003 0.000 0.295 472 T C 0.174 174.888 174.700 0.024 0.000 1.075 472 T CA -0.182 61.936 62.100 0.029 0.000 1.005 472 T CB 1.832 70.723 68.868 0.039 0.000 1.136 472 T HN 0.276 nan 8.240 nan 0.000 0.498 473 T N 0.075 114.641 114.554 0.020 0.000 2.902 473 T HA 0.336 4.688 4.350 0.003 0.000 0.280 473 T C 1.183 175.888 174.700 0.008 0.000 0.992 473 T CA -0.653 61.450 62.100 0.005 0.000 1.015 473 T CB 0.700 69.559 68.868 -0.015 0.000 1.044 473 T HN 0.363 nan 8.240 nan 0.000 0.520 474 N N 0.453 119.152 118.700 -0.003 0.000 2.430 474 N HA -0.137 4.605 4.740 0.003 0.000 0.186 474 N C 1.811 177.326 175.510 0.010 0.000 1.032 474 N CA 1.452 54.509 53.050 0.010 0.000 0.893 474 N CB -0.226 38.266 38.487 0.008 0.000 0.957 474 N HN 0.897 nan 8.380 nan 0.000 0.442 475 Q N -1.105 118.674 119.800 -0.036 0.000 2.396 475 Q HA 0.129 4.471 4.340 0.003 0.000 0.220 475 Q C 1.522 177.592 176.000 0.116 0.000 0.900 475 Q CA 0.113 55.892 55.803 -0.040 0.000 0.925 475 Q CB -0.050 28.406 28.738 -0.470 0.000 1.065 475 Q HN 0.021 nan 8.270 nan 0.000 0.535 476 K N 1.298 121.747 120.400 0.080 0.000 2.063 476 K HA -0.141 4.181 4.320 0.003 0.000 0.208 476 K C 2.304 178.974 176.600 0.117 0.000 1.048 476 K CA 2.303 58.660 56.287 0.117 0.000 0.928 476 K CB -0.260 32.286 32.500 0.077 0.000 0.713 476 K HN 0.502 nan 8.250 nan 0.000 0.442 477 T N -0.633 113.977 114.554 0.094 0.000 2.759 477 T HA -0.174 4.178 4.350 0.003 0.000 0.269 477 T C 1.652 176.421 174.700 0.115 0.000 1.042 477 T CA 1.379 63.535 62.100 0.094 0.000 1.140 477 T CB -0.263 68.650 68.868 0.075 0.000 0.864 477 T HN 0.298 nan 8.240 nan 0.000 0.455 478 E N 0.537 120.818 120.200 0.134 0.000 2.152 478 E HA 0.027 4.379 4.350 0.003 0.000 0.192 478 E C 1.967 178.652 176.600 0.142 0.000 0.983 478 E CA 0.452 56.940 56.400 0.146 0.000 0.818 478 E CB -0.140 29.670 29.700 0.184 0.000 0.758 478 E HN 0.273 nan 8.360 nan 0.000 0.467 479 L N 1.195 122.510 121.223 0.153 0.000 2.156 479 L HA -0.147 4.195 4.340 0.003 0.000 0.208 479 L C 2.258 179.201 176.870 0.121 0.000 1.095 479 L CA 1.525 56.428 54.840 0.104 0.000 0.770 479 L CB -0.757 41.355 42.059 0.090 0.000 0.914 479 L HN 0.109 nan 8.230 nan 0.000 0.439 480 Q N -0.721 119.162 119.800 0.139 0.000 2.046 480 Q HA -0.086 4.256 4.340 0.003 0.000 0.200 480 Q C 2.330 178.437 176.000 0.177 0.000 0.975 480 Q CA 1.622 57.530 55.803 0.174 0.000 0.836 480 Q CB -0.381 28.442 28.738 0.142 0.000 0.896 480 Q HN 0.492 nan 8.270 nan 0.000 0.428 481 A N 0.842 123.751 122.820 0.150 0.000 2.024 481 A HA -0.152 4.170 4.320 0.003 0.000 0.220 481 A C 2.060 179.731 177.584 0.145 0.000 1.164 481 A CA 1.080 53.216 52.037 0.166 0.000 0.643 481 A CB -0.505 18.587 19.000 0.152 0.000 0.806 481 A HN 0.297 nan 8.150 nan 0.000 0.451 482 I N -2.565 118.070 120.570 0.108 0.000 2.339 482 I HA -0.122 4.050 4.170 0.003 0.000 0.245 482 I C 2.394 178.547 176.117 0.059 0.000 1.096 482 I CA 0.979 62.307 61.300 0.046 0.000 1.408 482 I CB -0.616 37.402 38.000 0.029 0.000 1.092 482 I HN 0.437 nan 8.210 nan 0.000 0.423 483 Y N 2.036 122.314 120.300 -0.037 0.000 2.139 483 Y HA -0.296 4.256 4.550 0.003 0.000 0.282 483 Y C 2.338 178.213 175.900 -0.042 0.000 1.179 483 Y CA 1.408 59.480 58.100 -0.046 0.000 1.161 483 Y CB -0.576 37.876 38.460 -0.014 0.000 0.970 483 Y HN 0.025 nan 8.280 nan 0.000 0.511 484 L N 0.307 121.525 121.223 -0.008 0.000 1.955 484 L HA -0.154 4.188 4.340 0.003 0.000 0.213 484 L C 2.697 179.483 176.870 -0.139 0.000 1.072 484 L CA 2.374 57.197 54.840 -0.029 0.000 0.755 484 L CB -1.689 40.496 42.059 0.210 0.000 0.888 484 L HN 0.251 nan 8.230 nan 0.000 0.432 485 A N -1.180 121.496 122.820 -0.239 0.000 2.042 485 A HA -0.228 4.094 4.320 0.003 0.000 0.222 485 A C 2.287 179.357 177.584 -0.857 0.000 1.167 485 A CA 2.114 53.629 52.037 -0.871 0.000 0.649 485 A CB -0.828 17.740 19.000 -0.721 0.000 0.809 485 A HN 0.510 nan 8.150 nan 0.000 0.457 486 L N -1.479 119.482 121.223 -0.435 0.000 2.270 486 L HA -0.116 4.226 4.340 0.003 0.000 0.210 486 L C 2.786 179.492 176.870 -0.274 0.000 1.104 486 L CA 0.737 55.387 54.840 -0.316 0.000 0.804 486 L CB -0.339 41.637 42.059 -0.137 0.000 0.937 486 L HN 0.477 nan 8.230 nan 0.000 0.450 487 Q N -0.120 119.488 119.800 -0.320 0.000 2.049 487 Q HA -0.144 4.198 4.340 0.003 0.000 0.198 487 Q C 0.569 176.477 176.000 -0.153 0.000 0.971 487 Q CA 1.111 56.753 55.803 -0.267 0.000 0.833 487 Q CB 0.047 28.564 28.738 -0.368 0.000 0.896 487 Q HN 0.410 nan 8.270 nan 0.000 0.434 488 D N 0.592 120.912 120.400 -0.133 0.000 2.370 488 D HA 0.049 4.691 4.640 0.003 0.000 0.230 488 D C -0.001 176.342 176.300 0.072 0.000 1.143 488 D CA 0.142 54.160 54.000 0.030 0.000 0.834 488 D CB 0.265 41.202 40.800 0.228 0.000 0.944 488 D HN 0.100 nan 8.370 nan 0.000 0.504 489 S N -1.833 113.809 115.700 -0.097 0.000 2.671 489 S HA 0.778 5.250 4.470 0.003 0.000 0.299 489 S C 0.640 175.222 174.600 -0.030 0.000 1.116 489 S CA -0.788 57.392 58.200 -0.033 0.000 0.912 489 S CB 2.090 65.112 63.200 -0.297 0.000 1.130 489 S HN 0.014 nan 8.310 nan 0.000 0.501 490 G N -0.181 108.628 108.800 0.014 0.000 2.485 490 G HA2 0.412 4.374 3.960 0.003 0.000 0.260 490 G HA3 0.412 4.374 3.960 0.003 0.000 0.260 490 G C 0.473 175.365 174.900 -0.013 0.000 1.459 490 G CA -0.867 44.238 45.100 0.008 0.000 1.060 490 G HN 0.728 nan 8.290 nan 0.000 0.546 491 L N -0.189 121.034 121.223 -0.001 0.000 2.610 491 L HA 0.210 4.552 4.340 0.003 0.000 0.232 491 L C 0.399 177.271 176.870 0.003 0.000 1.149 491 L CA 0.726 55.565 54.840 -0.001 0.000 0.872 491 L CB -0.373 41.691 42.059 0.008 0.000 0.992 491 L HN 0.405 nan 8.230 nan 0.000 0.447 492 E N -0.147 120.057 120.200 0.008 0.000 2.278 492 E HA 0.540 4.891 4.350 0.003 0.000 0.272 492 E C -1.399 175.214 176.600 0.021 0.000 0.890 492 E CA -0.333 56.078 56.400 0.017 0.000 0.770 492 E CB 3.360 33.075 29.700 0.026 0.000 1.212 492 E HN -0.179 nan 8.360 nan 0.000 0.415 493 V N 3.157 123.081 119.914 0.017 0.000 2.817 493 V HA 0.307 4.429 4.120 0.003 0.000 0.303 493 V C -1.564 174.561 176.094 0.051 0.000 1.151 493 V CA -0.608 61.704 62.300 0.020 0.000 0.929 493 V CB 1.970 33.729 31.823 -0.107 0.000 1.030 493 V HN 0.709 nan 8.190 nan 0.000 0.427 494 N N 6.422 125.183 118.700 0.103 0.000 2.518 494 N HA 0.620 5.361 4.740 0.003 0.000 0.283 494 N C -1.053 174.493 175.510 0.060 0.000 1.119 494 N CA -0.335 52.800 53.050 0.141 0.000 0.983 494 N CB 1.831 40.421 38.487 0.171 0.000 1.139 494 N HN 0.560 nan 8.380 nan 0.000 0.465 495 I N 1.672 122.235 120.570 -0.012 0.000 2.533 495 I HA 0.320 4.492 4.170 0.003 0.000 0.290 495 I C -0.625 175.418 176.117 -0.123 0.000 1.056 495 I CA -0.965 60.295 61.300 -0.066 0.000 1.057 495 I CB 2.202 40.139 38.000 -0.106 0.000 1.240 495 I HN 0.068 nan 8.210 nan 0.000 0.423 496 V N 3.962 123.773 119.914 -0.172 0.000 2.555 496 V HA 0.672 4.794 4.120 0.003 0.000 0.302 496 V C -0.072 175.953 176.094 -0.115 0.000 1.038 496 V CA -0.380 61.783 62.300 -0.228 0.000 0.887 496 V CB 1.882 33.383 31.823 -0.537 0.000 0.991 496 V HN 0.854 nan 8.190 nan 0.000 0.434 497 T N 0.799 115.294 114.554 -0.098 0.000 2.864 497 T HA 0.450 4.801 4.350 0.003 0.000 0.299 497 T C -0.322 174.263 174.700 -0.192 0.000 1.166 497 T CA -0.219 61.846 62.100 -0.057 0.000 1.007 497 T CB 2.036 70.926 68.868 0.036 0.000 1.219 497 T HN 0.805 nan 8.240 nan 0.000 0.506 498 D N 0.389 120.701 120.400 -0.146 0.000 2.398 498 D HA 0.212 4.854 4.640 0.003 0.000 0.210 498 D C 0.614 177.026 176.300 0.187 0.000 1.094 498 D CA -0.123 53.728 54.000 -0.249 0.000 0.839 498 D CB 0.163 40.825 40.800 -0.230 0.000 0.963 498 D HN 0.287 nan 8.370 nan 0.000 0.506 499 S N 0.851 116.698 115.700 0.245 0.000 2.416 499 S HA 0.070 4.541 4.470 0.003 0.000 0.302 499 S C 1.207 176.038 174.600 0.385 0.000 1.120 499 S CA -0.492 57.896 58.200 0.315 0.000 1.067 499 S CB 0.798 64.143 63.200 0.242 0.000 1.057 499 S HN 0.278 nan 8.310 nan 0.000 0.518 500 Q N 5.713 125.720 119.800 0.345 0.000 2.170 500 Q HA -0.188 4.154 4.340 0.003 0.000 0.203 500 Q C 1.414 177.452 176.000 0.064 0.000 0.976 500 Q CA 1.810 57.615 55.803 0.005 0.000 0.858 500 Q CB -0.488 28.143 28.738 -0.179 0.000 0.907 500 Q HN 0.881 nan 8.270 nan 0.000 0.433 501 Y N 0.903 121.223 120.300 0.034 0.000 2.034 501 Y HA -0.257 4.295 4.550 0.003 0.000 0.269 501 Y C 2.401 178.324 175.900 0.037 0.000 1.125 501 Y CA 2.246 60.367 58.100 0.035 0.000 1.097 501 Y CB -1.164 37.329 38.460 0.054 0.000 0.978 501 Y HN 0.198 nan 8.280 nan 0.000 0.480 502 A N 0.539 123.296 122.820 -0.105 0.000 1.927 502 A HA -0.276 4.046 4.320 0.003 0.000 0.220 502 A C 2.287 179.790 177.584 -0.134 0.000 1.185 502 A CA 2.137 54.051 52.037 -0.205 0.000 0.639 502 A CB -1.538 17.470 19.000 0.014 0.000 0.820 502 A HN 0.652 nan 8.150 nan 0.000 0.451 503 L N -0.210 120.999 121.223 -0.024 0.000 1.944 503 L HA -0.136 4.206 4.340 0.003 0.000 0.218 503 L C 2.588 179.428 176.870 -0.049 0.000 1.075 503 L CA 2.765 57.595 54.840 -0.017 0.000 0.767 503 L CB -1.263 40.792 42.059 -0.007 0.000 0.890 503 L HN 0.361 nan 8.230 nan 0.000 0.434 504 G N -0.271 108.486 108.800 -0.071 0.000 2.574 504 G HA2 -0.340 3.622 3.960 0.003 0.000 0.220 504 G HA3 -0.340 3.622 3.960 0.003 0.000 0.220 504 G C 1.609 176.521 174.900 0.020 0.000 1.173 504 G CA 1.576 46.661 45.100 -0.024 0.000 0.772 504 G HN 0.539 nan 8.290 nan 0.000 0.585 505 I N 0.679 121.167 120.570 -0.137 0.000 2.091 505 I HA -0.201 3.971 4.170 0.003 0.000 0.239 505 I C 2.595 178.675 176.117 -0.062 0.000 1.061 505 I CA 1.051 62.231 61.300 -0.199 0.000 1.317 505 I CB -0.322 37.385 38.000 -0.488 0.000 1.031 505 I HN 0.107 nan 8.210 nan 0.000 0.401 506 I N 0.162 120.703 120.570 -0.048 0.000 2.500 506 I HA -0.213 3.958 4.170 0.003 0.000 0.252 506 I C 2.432 178.632 176.117 0.139 0.000 1.142 506 I CA 1.322 62.647 61.300 0.040 0.000 1.451 506 I CB -1.320 36.684 38.000 0.006 0.000 1.093 506 I HN 0.358 nan 8.210 nan 0.000 0.430 507 Q N 0.802 120.673 119.800 0.119 0.000 2.437 507 Q HA 0.010 4.352 4.340 0.003 0.000 0.210 507 Q C 2.022 178.159 176.000 0.228 0.000 0.972 507 Q CA 1.015 56.912 55.803 0.157 0.000 0.903 507 Q CB 0.067 28.886 28.738 0.134 0.000 0.967 507 Q HN 0.495 nan 8.270 nan 0.000 0.486 508 A N -0.220 122.760 122.820 0.268 0.000 2.206 508 A HA -0.060 4.262 4.320 0.003 0.000 0.211 508 A C 0.325 178.067 177.584 0.263 0.000 1.158 508 A CA 0.398 52.631 52.037 0.326 0.000 0.761 508 A CB -0.006 19.212 19.000 0.362 0.000 0.801 508 A HN 0.512 nan 8.150 nan 0.000 0.473 509 Q N -1.822 118.097 119.800 0.198 0.000 2.463 509 Q HA -0.135 4.207 4.340 0.003 0.000 0.299 509 Q C -2.244 173.823 176.000 0.112 0.000 1.353 509 Q CA 0.236 56.075 55.803 0.060 0.000 0.828 509 Q CB -1.904 26.788 28.738 -0.076 0.000 1.157 509 Q HN 0.468 nan 8.270 nan 0.000 0.436 510 P HA -0.086 nan 4.420 nan 0.000 0.270 510 P C 0.301 177.748 177.300 0.246 0.000 1.221 510 P CA 0.737 63.952 63.100 0.191 0.000 0.788 510 P CB 0.408 32.207 31.700 0.165 0.000 0.904 511 D N -2.085 118.429 120.400 0.190 0.000 2.480 511 D HA 0.020 4.661 4.640 0.003 0.000 0.276 511 D C -0.212 176.148 176.300 0.100 0.000 1.294 511 D CA 0.099 54.221 54.000 0.203 0.000 0.829 511 D CB 0.026 41.024 40.800 0.331 0.000 1.242 511 D HN 0.523 nan 8.370 nan 0.000 0.513 512 Q N -1.031 118.831 119.800 0.103 0.000 2.462 512 Q HA 0.690 5.032 4.340 0.003 0.000 0.285 512 Q C -1.515 174.553 176.000 0.114 0.000 1.035 512 Q CA -0.941 54.906 55.803 0.073 0.000 0.799 512 Q CB 2.243 31.016 28.738 0.058 0.000 1.452 512 Q HN -0.043 nan 8.270 nan 0.000 0.404 513 S N -0.257 115.503 115.700 0.100 0.000 2.550 513 S HA 0.231 4.703 4.470 0.003 0.000 0.270 513 S C -0.792 173.860 174.600 0.088 0.000 1.145 513 S CA -0.546 57.752 58.200 0.162 0.000 0.852 513 S CB 1.916 65.271 63.200 0.258 0.000 1.119 513 S HN 0.704 nan 8.310 nan 0.000 0.465 514 E N 1.390 121.627 120.200 0.061 0.000 2.382 514 E HA 0.144 4.496 4.350 0.003 0.000 0.190 514 E C -0.330 176.305 176.600 0.058 0.000 1.125 514 E CA 0.023 56.440 56.400 0.028 0.000 0.929 514 E CB 0.366 30.056 29.700 -0.016 0.000 1.053 514 E HN 0.288 nan 8.360 nan 0.000 0.475 515 S N -0.089 115.664 115.700 0.088 0.000 2.557 515 S HA 0.152 4.624 4.470 0.003 0.000 0.291 515 S C 0.492 175.105 174.600 0.022 0.000 1.116 515 S CA -0.697 57.550 58.200 0.078 0.000 0.992 515 S CB 1.715 64.998 63.200 0.139 0.000 1.028 515 S HN 0.081 nan 8.310 nan 0.000 0.484 516 E N 3.708 123.907 120.200 -0.001 0.000 2.028 516 E HA -0.028 4.323 4.350 0.003 0.000 0.191 516 E C 1.752 178.293 176.600 -0.098 0.000 0.988 516 E CA 1.476 57.852 56.400 -0.040 0.000 0.799 516 E CB -0.270 29.413 29.700 -0.029 0.000 0.755 516 E HN 0.746 nan 8.360 nan 0.000 0.447 517 L N -0.177 120.990 121.223 -0.092 0.000 1.971 517 L HA -0.239 4.103 4.340 0.003 0.000 0.215 517 L C 2.310 179.051 176.870 -0.215 0.000 1.072 517 L CA 1.651 56.387 54.840 -0.174 0.000 0.758 517 L CB -0.387 41.630 42.059 -0.070 0.000 0.889 517 L HN 0.155 nan 8.230 nan 0.000 0.433 518 V N -0.300 119.549 119.914 -0.108 0.000 2.490 518 V HA -0.270 3.852 4.120 0.003 0.000 0.250 518 V C 2.026 178.055 176.094 -0.108 0.000 1.061 518 V CA 1.893 64.129 62.300 -0.106 0.000 1.064 518 V CB -0.876 30.910 31.823 -0.060 0.000 0.670 518 V HN 0.487 nan 8.190 nan 0.000 0.461 519 N N -0.023 118.620 118.700 -0.094 0.000 2.244 519 N HA -0.143 4.599 4.740 0.003 0.000 0.183 519 N C 1.952 177.371 175.510 -0.153 0.000 1.016 519 N CA 1.202 54.196 53.050 -0.092 0.000 0.866 519 N CB -0.175 38.270 38.487 -0.069 0.000 0.980 519 N HN 0.599 nan 8.380 nan 0.000 0.430 520 Q N -0.064 119.581 119.800 -0.258 0.000 2.062 520 Q HA 0.086 4.428 4.340 0.003 0.000 0.196 520 Q C 1.944 177.736 176.000 -0.347 0.000 0.967 520 Q CA 0.711 56.293 55.803 -0.369 0.000 0.832 520 Q CB -0.001 28.310 28.738 -0.712 0.000 0.899 520 Q HN 0.385 nan 8.270 nan 0.000 0.442 521 I N 0.879 121.212 120.570 -0.395 0.000 2.300 521 I HA -0.326 3.846 4.170 0.003 0.000 0.252 521 I C 2.123 178.147 176.117 -0.156 0.000 1.119 521 I CA 1.248 62.444 61.300 -0.173 0.000 1.384 521 I CB -0.338 37.576 38.000 -0.143 0.000 1.062 521 I HN 0.246 nan 8.210 nan 0.000 0.426 522 I N 0.854 121.326 120.570 -0.163 0.000 2.162 522 I HA -0.265 3.907 4.170 0.003 0.000 0.238 522 I C 2.644 178.660 176.117 -0.169 0.000 1.076 522 I CA 1.550 62.748 61.300 -0.171 0.000 1.353 522 I CB -0.443 37.518 38.000 -0.064 0.000 1.063 522 I HN 0.287 nan 8.210 nan 0.000 0.408 523 E N 0.754 120.885 120.200 -0.116 0.000 2.160 523 E HA -0.279 4.073 4.350 0.003 0.000 0.195 523 E C 1.985 178.546 176.600 -0.065 0.000 0.991 523 E CA 1.002 57.349 56.400 -0.088 0.000 0.810 523 E CB -0.341 29.317 29.700 -0.071 0.000 0.742 523 E HN 0.498 nan 8.360 nan 0.000 0.466 524 Q N 1.073 120.847 119.800 -0.043 0.000 1.967 524 Q HA -0.107 4.234 4.340 0.003 0.000 0.202 524 Q C 2.584 178.524 176.000 -0.099 0.000 0.985 524 Q CA 1.319 57.106 55.803 -0.027 0.000 0.839 524 Q CB -0.523 28.242 28.738 0.044 0.000 0.906 524 Q HN 0.411 nan 8.270 nan 0.000 0.423 525 L N 0.667 121.772 121.223 -0.197 0.000 2.137 525 L HA -0.239 4.103 4.340 0.003 0.000 0.213 525 L C 2.372 179.107 176.870 -0.224 0.000 1.085 525 L CA 0.690 55.336 54.840 -0.324 0.000 0.760 525 L CB -0.519 41.090 42.059 -0.750 0.000 0.893 525 L HN 0.243 nan 8.230 nan 0.000 0.434 526 I N -0.077 120.408 120.570 -0.143 0.000 2.202 526 I HA -0.271 3.901 4.170 0.003 0.000 0.242 526 I C 2.380 178.515 176.117 0.030 0.000 1.091 526 I CA 1.625 62.936 61.300 0.019 0.000 1.368 526 I CB -0.874 37.134 38.000 0.012 0.000 1.058 526 I HN 0.282 nan 8.210 nan 0.000 0.410 527 K N 0.363 120.758 120.400 -0.008 0.000 2.362 527 K HA -0.081 4.241 4.320 0.003 0.000 0.200 527 K C 1.010 177.612 176.600 0.004 0.000 1.046 527 K CA 0.491 56.779 56.287 0.002 0.000 0.952 527 K CB 0.197 32.692 32.500 -0.009 0.000 0.753 527 K HN 0.191 nan 8.250 nan 0.000 0.466 528 K N 0.393 120.789 120.400 -0.007 0.000 2.386 528 K HA 0.019 4.341 4.320 0.003 0.000 0.249 528 K C 0.916 177.531 176.600 0.025 0.000 1.055 528 K CA 0.393 56.677 56.287 -0.005 0.000 0.930 528 K CB 0.751 33.234 32.500 -0.028 0.000 1.230 528 K HN -0.114 nan 8.250 nan 0.000 0.507 529 E N -0.045 120.171 120.200 0.027 0.000 2.713 529 E HA 0.133 4.485 4.350 0.003 0.000 0.201 529 E C -0.662 175.967 176.600 0.048 0.000 0.935 529 E CA 0.599 57.022 56.400 0.039 0.000 1.273 529 E CB 0.703 30.421 29.700 0.029 0.000 1.221 529 E HN 0.280 nan 8.360 nan 0.000 0.547 530 K N 0.272 120.697 120.400 0.042 0.000 2.443 530 K HA 0.606 4.928 4.320 0.003 0.000 0.252 530 K C -1.592 175.041 176.600 0.056 0.000 0.933 530 K CA -0.768 55.553 56.287 0.057 0.000 0.792 530 K CB 3.121 35.650 32.500 0.049 0.000 1.185 530 K HN -0.160 nan 8.250 nan 0.000 0.425 531 V N 3.009 122.970 119.914 0.079 0.000 2.577 531 V HA 0.291 4.412 4.120 0.003 0.000 0.303 531 V C -1.560 174.614 176.094 0.134 0.000 1.042 531 V CA -0.950 61.391 62.300 0.067 0.000 0.872 531 V CB 1.447 33.277 31.823 0.013 0.000 0.998 531 V HN 0.705 nan 8.190 nan 0.000 0.423 532 Y N 5.343 125.641 120.300 -0.003 0.000 2.328 532 Y HA 0.705 5.257 4.550 0.003 0.000 0.336 532 Y C -0.908 174.989 175.900 -0.005 0.000 0.960 532 Y CA -0.764 57.339 58.100 0.004 0.000 1.134 532 Y CB 1.440 39.900 38.460 0.000 0.000 1.166 532 Y HN 0.601 nan 8.280 nan 0.000 0.464 533 L N 5.982 126.827 121.223 -0.629 0.000 2.325 533 L HA 0.915 5.257 4.340 0.003 0.000 0.278 533 L C -1.055 175.386 176.870 -0.715 0.000 1.023 533 L CA -0.727 53.830 54.840 -0.471 0.000 0.811 533 L CB 1.378 43.303 42.059 -0.223 0.000 1.249 533 L HN 0.872 nan 8.230 nan 0.000 0.431 534 A N 3.805 126.393 122.820 -0.387 0.000 2.486 534 A HA 0.524 4.845 4.320 0.003 0.000 0.300 534 A C -2.149 175.432 177.584 -0.004 0.000 1.048 534 A CA -0.470 51.436 52.037 -0.218 0.000 0.696 534 A CB 1.359 20.298 19.000 -0.103 0.000 1.278 534 A HN 0.788 nan 8.150 nan 0.000 0.405 535 W N 2.216 123.454 121.300 -0.104 0.000 2.627 535 W HA 0.686 5.348 4.660 0.003 0.000 0.339 535 W C -1.427 175.074 176.519 -0.030 0.000 1.058 535 W CA -0.364 56.944 57.345 -0.063 0.000 1.223 535 W CB 1.699 31.125 29.460 -0.056 0.000 1.389 535 W HN 0.596 nan 8.180 nan 0.000 0.541 536 V N 5.729 124.984 119.914 -1.099 0.000 3.007 536 V HA 0.454 4.576 4.120 0.003 0.000 0.311 536 V C -2.180 172.786 176.094 -1.881 0.000 1.120 536 V CA -2.352 59.289 62.300 -1.098 0.000 0.980 536 V CB 2.564 34.103 31.823 -0.474 0.000 1.033 536 V HN 0.413 nan 8.190 nan 0.000 0.429 537 P HA 0.280 nan 4.420 nan 0.000 0.271 537 P C -0.660 176.407 177.300 -0.387 0.000 1.220 537 P CA 0.099 62.811 63.100 -0.647 0.000 0.768 537 P CB 0.549 32.140 31.700 -0.181 0.000 0.848 538 A N 3.120 125.776 122.820 -0.273 0.000 2.386 538 A HA 0.201 4.523 4.320 0.003 0.000 0.248 538 A C 0.194 177.660 177.584 -0.197 0.000 1.082 538 A CA -0.085 51.757 52.037 -0.325 0.000 0.789 538 A CB -0.971 17.776 19.000 -0.423 0.000 1.025 538 A HN 0.836 nan 8.150 nan 0.000 0.490 539 H N -0.753 118.300 119.070 -0.029 0.000 2.820 539 H HA -0.114 4.444 4.556 0.003 0.000 0.295 539 H C 0.556 175.875 175.328 -0.014 0.000 1.187 539 H CA 0.920 56.960 56.048 -0.013 0.000 1.144 539 H CB -0.741 29.022 29.762 0.001 0.000 1.354 539 H HN 0.551 nan 8.280 nan 0.000 0.395 540 K N -0.183 120.242 120.400 0.043 0.000 2.373 540 K HA 0.227 4.549 4.320 0.003 0.000 0.200 540 K C 1.509 178.116 176.600 0.012 0.000 1.054 540 K CA 0.841 57.144 56.287 0.026 0.000 1.065 540 K CB 1.138 33.637 32.500 -0.002 0.000 0.886 540 K HN 0.555 nan 8.250 nan 0.000 0.546 541 G N 2.135 110.939 108.800 0.007 0.000 2.149 541 G HA2 -0.200 3.762 3.960 0.003 0.000 0.235 541 G HA3 -0.200 3.762 3.960 0.003 0.000 0.235 541 G C 0.111 175.002 174.900 -0.014 0.000 1.018 541 G CA -0.217 44.882 45.100 -0.001 0.000 0.728 541 G HN 0.110 nan 8.290 nan 0.000 0.508 542 I N 1.059 121.615 120.570 -0.023 0.000 2.638 542 I HA 0.482 4.654 4.170 0.003 0.000 0.286 542 I C 1.907 178.023 176.117 -0.000 0.000 1.088 542 I CA 0.776 62.068 61.300 -0.015 0.000 1.397 542 I CB -0.051 37.927 38.000 -0.036 0.000 1.414 542 I HN 0.778 nan 8.210 nan 0.000 0.566 543 G N 4.490 113.302 108.800 0.020 0.000 2.529 543 G HA2 -0.289 3.673 3.960 0.003 0.000 0.491 543 G HA3 -0.289 3.673 3.960 0.003 0.000 0.491 543 G C 0.924 175.718 174.900 -0.178 0.000 1.387 543 G CA 0.387 45.492 45.100 0.008 0.000 0.928 543 G HN 1.085 nan 8.290 nan 0.000 0.515 544 G N -0.238 108.193 108.800 -0.615 0.000 2.990 544 G HA2 0.073 4.034 3.960 0.003 0.000 0.206 544 G HA3 0.073 4.034 3.960 0.003 0.000 0.206 544 G C 1.283 176.036 174.900 -0.245 0.000 1.169 544 G CA 1.186 45.859 45.100 -0.711 0.000 0.819 544 G HN 0.779 nan 8.290 nan 0.000 0.517 545 N N 1.197 119.883 118.700 -0.022 0.000 2.084 545 N HA -0.145 4.596 4.740 0.003 0.000 0.190 545 N C 1.962 177.461 175.510 -0.018 0.000 1.030 545 N CA 1.705 54.777 53.050 0.037 0.000 0.849 545 N CB -0.209 38.275 38.487 -0.005 0.000 1.012 545 N HN 0.469 nan 8.380 nan 0.000 0.423 546 E N -0.497 119.681 120.200 -0.037 0.000 2.153 546 E HA -0.226 4.125 4.350 0.003 0.000 0.194 546 E C 1.796 178.382 176.600 -0.024 0.000 0.988 546 E CA 1.045 57.433 56.400 -0.021 0.000 0.811 546 E CB -0.001 29.687 29.700 -0.019 0.000 0.746 546 E HN 0.382 nan 8.360 nan 0.000 0.466 547 Q N 0.055 119.823 119.800 -0.053 0.000 1.942 547 Q HA -0.126 4.215 4.340 0.003 0.000 0.203 547 Q C 2.210 178.195 176.000 -0.025 0.000 0.987 547 Q CA 1.715 57.487 55.803 -0.052 0.000 0.844 547 Q CB -0.635 28.049 28.738 -0.091 0.000 0.911 547 Q HN 0.270 nan 8.270 nan 0.000 0.423 548 V N 1.159 121.067 119.914 -0.009 0.000 2.594 548 V HA -0.233 3.889 4.120 0.003 0.000 0.253 548 V C 1.708 177.815 176.094 0.022 0.000 1.069 548 V CA 2.104 64.416 62.300 0.021 0.000 1.082 548 V CB -0.391 31.480 31.823 0.081 0.000 0.680 548 V HN 0.498 nan 8.190 nan 0.000 0.469 549 D N -0.445 119.965 120.400 0.017 0.000 2.263 549 D HA -0.204 4.438 4.640 0.003 0.000 0.208 549 D C 2.123 178.442 176.300 0.032 0.000 0.971 549 D CA 1.332 55.345 54.000 0.023 0.000 0.867 549 D CB 0.144 40.953 40.800 0.014 0.000 0.929 549 D HN 0.526 nan 8.370 nan 0.000 0.492 550 K N -0.313 120.097 120.400 0.017 0.000 2.211 550 K HA 0.056 4.378 4.320 0.003 0.000 0.201 550 K C 2.135 178.737 176.600 0.004 0.000 1.052 550 K CA -0.174 56.120 56.287 0.012 0.000 0.973 550 K CB 0.237 32.738 32.500 0.001 0.000 0.766 550 K HN 0.027 nan 8.250 nan 0.000 0.466 551 L N 1.420 122.640 121.223 -0.004 0.000 2.261 551 L HA -0.075 4.267 4.340 0.003 0.000 0.216 551 L C 0.797 177.664 176.870 -0.006 0.000 1.114 551 L CA 1.229 56.060 54.840 -0.015 0.000 0.777 551 L CB -0.725 41.316 42.059 -0.030 0.000 0.910 551 L HN 0.070 nan 8.230 nan 0.000 0.440 552 V N -1.616 118.304 119.914 0.010 0.000 2.311 552 V HA 0.738 4.860 4.120 0.003 0.000 0.275 552 V C -0.015 176.094 176.094 0.025 0.000 1.022 552 V CA -0.233 62.078 62.300 0.019 0.000 0.830 552 V CB 0.877 32.718 31.823 0.031 0.000 1.012 552 V HN 0.393 nan 8.190 nan 0.000 0.452 553 S N 0.000 115.711 115.700 0.019 0.000 2.498 553 S HA 0.000 4.472 4.470 0.003 0.000 0.327 553 S CA 0.000 58.212 58.200 0.020 0.000 1.107 553 S CB 0.000 63.214 63.200 0.022 0.000 0.593 553 S HN 0.000 nan 8.310 nan 0.000 0.517