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 3gc5_1_A DATA FIRST_RESID 11 DATA SEQUENCE RPRFSFSIAA REGKARTGTI EMKRGVIRTP AFMPVGTAAT VKALKPETVR DATA SEQUENCE ATGADIILGN TYHLMLRPGA ERIAKLGGLH SFMGWDRPIL TDSGGYQVMS DATA SEQUENCE LSXLTKQSEE GVTFKSXXXX SRHMLSPERS IEIQHLLGSD IVMAFDECTP DATA SEQUENCE YPATPSRAAS SMERSMRWAK RSRDAFDSRK EQAENAALFG IQQGSVFENL DATA SEQUENCE RQQSADALAE IGFDGYAVGG LAVGEGQDEM FRVLDFSVPM LPDDKPHYLM DATA SEQUENCE GVGKPDDIVG AVERGIDMFD CVLPTRSGRN GQAFTWDGPI NIRNARFSED DATA SEQUENCE LKPLDSECHC AVCQKWSRAY IHHLIRAGEI LGAMLMTEHN IAFYQQLMQK DATA SEQUENCE IRDSISEGRF SQFAQDFRAR YFA 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 11 R HA 0.000 nan 4.340 nan 0.000 0.208 11 R C 0.000 176.310 176.300 0.017 0.000 0.893 11 R CA 0.000 56.101 56.100 0.001 0.000 0.921 11 R CB 0.000 30.297 30.300 -0.004 0.000 0.687 12 P HA 0.172 nan 4.420 nan 0.000 0.276 12 P C -0.199 177.151 177.300 0.083 0.000 1.261 12 P CA -0.499 62.632 63.100 0.052 0.000 0.800 12 P CB 0.875 32.608 31.700 0.054 0.000 1.066 13 R N -0.024 120.548 120.500 0.119 0.000 2.096 13 R HA -0.093 4.298 4.340 0.085 0.000 0.240 13 R C -0.277 176.192 176.300 0.282 0.000 1.139 13 R CA 1.305 57.509 56.100 0.174 0.000 0.952 13 R CB -0.151 30.257 30.300 0.179 0.000 0.854 13 R HN 0.532 nan 8.270 nan 0.000 0.436 14 F N -0.055 119.950 119.950 0.092 0.000 2.623 14 F HA 0.250 4.827 4.527 0.085 0.000 0.323 14 F C -1.617 174.249 175.800 0.111 0.000 1.158 14 F CA -0.551 57.516 58.000 0.112 0.000 1.030 14 F CB 1.897 40.979 39.000 0.137 0.000 1.280 14 F HN 0.044 nan 8.300 nan 0.000 0.474 15 S N 5.448 120.936 115.700 -0.353 0.000 2.649 15 S HA 0.601 5.122 4.470 0.085 0.000 0.274 15 S C -1.716 172.716 174.600 -0.281 0.000 1.176 15 S CA -0.607 57.476 58.200 -0.194 0.000 0.988 15 S CB 1.297 64.466 63.200 -0.052 0.000 1.071 15 S HN 0.646 nan 8.310 nan 0.000 0.478 16 F N 3.149 122.891 119.950 -0.347 0.000 2.415 16 F HA 0.756 5.334 4.527 0.085 0.000 0.348 16 F C -0.106 175.630 175.800 -0.106 0.000 1.119 16 F CA -0.581 57.280 58.000 -0.232 0.000 1.069 16 F CB 1.693 40.621 39.000 -0.119 0.000 1.124 16 F HN 0.728 nan 8.300 nan 0.000 0.472 17 S N 6.933 122.347 115.700 -0.477 0.000 2.561 17 S HA 0.650 5.171 4.470 0.085 0.000 0.303 17 S C -0.742 173.464 174.600 -0.656 0.000 1.110 17 S CA -0.649 57.262 58.200 -0.482 0.000 1.034 17 S CB 0.563 63.624 63.200 -0.232 0.000 1.010 17 S HN 0.542 nan 8.310 nan 0.000 0.482 18 I N 4.677 124.886 120.570 -0.602 0.000 2.312 18 I HA 0.347 4.568 4.170 0.085 0.000 0.291 18 I C 1.108 177.085 176.117 -0.234 0.000 1.031 18 I CA -0.388 60.648 61.300 -0.439 0.000 1.293 18 I CB 1.444 39.221 38.000 -0.372 0.000 1.403 18 I HN 0.827 nan 8.210 nan 0.000 0.484 19 A N 5.341 128.057 122.820 -0.173 0.000 2.044 19 A HA 0.666 5.038 4.320 0.085 0.000 0.213 19 A C 0.937 178.469 177.584 -0.086 0.000 1.169 19 A CA 0.770 52.739 52.037 -0.114 0.000 0.724 19 A CB 0.191 19.134 19.000 -0.094 0.000 0.840 19 A HN 0.745 nan 8.150 nan 0.000 0.463 20 A N -0.862 121.908 122.820 -0.084 0.000 2.605 20 A HA 0.725 5.097 4.320 0.085 0.000 0.294 20 A C -0.842 176.712 177.584 -0.050 0.000 1.062 20 A CA -0.764 51.238 52.037 -0.058 0.000 0.682 20 A CB 1.042 20.011 19.000 -0.051 0.000 1.278 20 A HN 0.267 nan 8.150 nan 0.000 0.410 21 R N 0.272 120.756 120.500 -0.027 0.000 2.771 21 R HA 0.709 5.100 4.340 0.085 0.000 0.274 21 R C -1.330 174.983 176.300 0.021 0.000 0.987 21 R CA -0.691 55.405 56.100 -0.007 0.000 0.908 21 R CB 2.638 32.937 30.300 -0.002 0.000 1.213 21 R HN 0.785 nan 8.270 nan 0.000 0.468 22 E N 0.993 121.224 120.200 0.051 0.000 2.361 22 E HA 0.314 4.716 4.350 0.085 0.000 0.270 22 E C 0.058 176.725 176.600 0.113 0.000 0.911 22 E CA 0.118 56.574 56.400 0.093 0.000 0.818 22 E CB 1.211 30.998 29.700 0.146 0.000 1.332 22 E HN 0.790 nan 8.360 nan 0.000 0.402 23 G N 4.671 113.520 108.800 0.081 0.000 2.591 23 G HA2 -0.406 3.605 3.960 0.085 0.000 0.298 23 G HA3 -0.406 3.605 3.960 0.085 0.000 0.298 23 G C 0.661 175.606 174.900 0.074 0.000 1.195 23 G CA 0.603 45.748 45.100 0.075 0.000 0.989 23 G HN 0.580 nan 8.290 nan 0.000 0.551 24 K N 1.445 121.896 120.400 0.085 0.000 2.400 24 K HA 0.501 4.872 4.320 0.085 0.000 0.194 24 K C 1.376 178.035 176.600 0.099 0.000 1.033 24 K CA 0.526 56.864 56.287 0.084 0.000 1.021 24 K CB 0.239 32.782 32.500 0.072 0.000 0.808 24 K HN 0.751 nan 8.250 nan 0.000 0.505 25 A N 1.884 124.773 122.820 0.114 0.000 2.371 25 A HA 0.394 4.765 4.320 0.085 0.000 0.257 25 A C -0.368 177.224 177.584 0.014 0.000 1.089 25 A CA -0.184 51.892 52.037 0.064 0.000 0.794 25 A CB 0.320 19.350 19.000 0.050 0.000 1.029 25 A HN 0.154 nan 8.150 nan 0.000 0.488 26 R N -0.024 120.466 120.500 -0.016 0.000 2.725 26 R HA 0.746 5.138 4.340 0.085 0.000 0.277 26 R C -0.689 175.585 176.300 -0.044 0.000 0.987 26 R CA -0.421 55.668 56.100 -0.018 0.000 0.901 26 R CB 2.039 32.355 30.300 0.027 0.000 1.207 26 R HN 0.661 nan 8.270 nan 0.000 0.463 27 T N -0.078 114.441 114.554 -0.059 0.000 2.912 27 T HA 0.835 5.236 4.350 0.085 0.000 0.299 27 T C -0.630 174.033 174.700 -0.061 0.000 1.052 27 T CA -0.011 62.056 62.100 -0.054 0.000 0.996 27 T CB 1.432 70.245 68.868 -0.092 0.000 1.070 27 T HN 0.771 nan 8.240 nan 0.000 0.465 28 G N 1.774 110.559 108.800 -0.026 0.000 2.435 28 G HA2 0.621 4.632 3.960 0.085 0.000 0.296 28 G HA3 0.621 4.632 3.960 0.085 0.000 0.296 28 G C -0.924 173.984 174.900 0.013 0.000 1.240 28 G CA 0.018 45.077 45.100 -0.069 0.000 0.872 28 G HN 1.115 nan 8.290 nan 0.000 0.480 29 T N -1.703 112.853 114.554 0.004 0.000 2.909 29 T HA 0.721 5.122 4.350 0.085 0.000 0.299 29 T C -0.926 173.851 174.700 0.128 0.000 1.073 29 T CA -0.557 61.574 62.100 0.051 0.000 0.999 29 T CB 1.905 70.766 68.868 -0.013 0.000 1.098 29 T HN 0.592 nan 8.240 nan 0.000 0.477 30 I N 1.893 122.512 120.570 0.081 0.000 2.362 30 I HA 0.351 4.572 4.170 0.085 0.000 0.289 30 I C 0.175 176.231 176.117 -0.101 0.000 0.994 30 I CA -0.703 60.566 61.300 -0.052 0.000 1.158 30 I CB 1.526 39.463 38.000 -0.105 0.000 1.315 30 I HN 0.623 nan 8.210 nan 0.000 0.451 31 E N 7.755 127.864 120.200 -0.151 0.000 2.197 31 E HA 0.589 4.990 4.350 0.085 0.000 0.281 31 E C -0.795 175.755 176.600 -0.082 0.000 0.995 31 E CA -0.467 55.880 56.400 -0.088 0.000 0.808 31 E CB 2.046 31.707 29.700 -0.065 0.000 1.093 31 E HN 0.495 nan 8.360 nan 0.000 0.394 32 M N 1.446 121.039 119.600 -0.013 0.000 2.691 32 M HA 0.302 4.834 4.480 0.085 0.000 0.293 32 M C 0.842 177.161 176.300 0.032 0.000 1.259 32 M CA -0.827 54.502 55.300 0.048 0.000 0.827 32 M CB 1.786 34.444 32.600 0.095 0.000 1.753 32 M HN 0.230 nan 8.290 nan 0.000 0.465 33 K N 0.256 120.683 120.400 0.045 0.000 2.103 33 K HA -0.081 4.290 4.320 0.085 0.000 0.207 33 K C 1.486 178.076 176.600 -0.016 0.000 1.048 33 K CA 1.536 57.831 56.287 0.013 0.000 0.930 33 K CB 0.012 32.521 32.500 0.016 0.000 0.716 33 K HN 0.429 nan 8.250 nan 0.000 0.444 34 R N -0.202 120.286 120.500 -0.020 0.000 2.317 34 R HA 0.096 4.487 4.340 0.085 0.000 0.208 34 R C 0.226 176.498 176.300 -0.047 0.000 0.914 34 R CA 0.142 56.208 56.100 -0.057 0.000 1.060 34 R CB 0.875 31.125 30.300 -0.083 0.000 1.015 34 R HN 0.232 nan 8.270 nan 0.000 0.498 35 G N -0.841 107.947 108.800 -0.020 0.000 2.336 35 G HA2 0.071 4.083 3.960 0.085 0.000 0.300 35 G HA3 0.071 4.083 3.960 0.085 0.000 0.300 35 G C -1.625 173.272 174.900 -0.004 0.000 1.375 35 G CA -1.020 44.067 45.100 -0.023 0.000 0.885 35 G HN -0.097 nan 8.290 nan 0.000 0.599 36 V N 0.482 120.392 119.914 -0.007 0.000 2.481 36 V HA 0.599 4.770 4.120 0.085 0.000 0.286 36 V C 0.249 176.353 176.094 0.018 0.000 1.042 36 V CA -0.449 61.849 62.300 -0.003 0.000 0.928 36 V CB 1.341 33.157 31.823 -0.011 0.000 0.986 36 V HN 0.580 nan 8.190 nan 0.000 0.462 37 I N 5.062 125.645 120.570 0.023 0.000 2.355 37 I HA 0.457 4.678 4.170 0.085 0.000 0.288 37 I C 0.328 176.472 176.117 0.044 0.000 0.999 37 I CA -0.432 60.892 61.300 0.041 0.000 1.163 37 I CB 1.208 39.230 38.000 0.037 0.000 1.316 37 I HN 0.499 nan 8.210 nan 0.000 0.454 38 R N 3.941 124.469 120.500 0.046 0.000 2.340 38 R HA 0.398 4.789 4.340 0.085 0.000 0.300 38 R C -0.029 176.307 176.300 0.060 0.000 1.069 38 R CA -0.257 55.868 56.100 0.043 0.000 0.984 38 R CB 0.922 31.239 30.300 0.027 0.000 1.003 38 R HN 0.652 nan 8.270 nan 0.000 0.459 39 T N 0.631 115.229 114.554 0.073 0.000 2.856 39 T HA 0.469 4.870 4.350 0.085 0.000 0.283 39 T C -2.622 172.108 174.700 0.051 0.000 1.008 39 T CA -2.848 59.306 62.100 0.090 0.000 0.997 39 T CB 2.162 71.122 68.868 0.154 0.000 0.992 39 T HN 0.193 nan 8.240 nan 0.000 0.454 40 P HA 0.428 nan 4.420 nan 0.000 0.268 40 P C -1.026 176.367 177.300 0.155 0.000 1.204 40 P CA -0.217 62.957 63.100 0.124 0.000 0.768 40 P CB 0.424 32.224 31.700 0.166 0.000 0.842 41 A N 3.445 126.387 122.820 0.204 0.000 2.342 41 A HA 0.662 5.033 4.320 0.085 0.000 0.323 41 A C -1.376 176.402 177.584 0.324 0.000 1.125 41 A CA -0.500 51.650 52.037 0.188 0.000 0.785 41 A CB 0.455 19.505 19.000 0.082 0.000 1.221 41 A HN 0.471 nan 8.150 nan 0.000 0.463 42 F N 2.508 122.547 119.950 0.149 0.000 2.427 42 F HA 0.664 5.239 4.527 0.081 0.000 0.346 42 F C -0.222 175.622 175.800 0.074 0.000 1.120 42 F CA -0.885 57.212 58.000 0.161 0.000 1.033 42 F CB 1.496 40.585 39.000 0.148 0.000 1.126 42 F HN 0.486 nan 8.300 nan 0.000 0.462 43 M N 8.564 127.682 119.600 -0.803 0.000 2.055 43 M HA 0.334 4.865 4.480 0.085 0.000 0.347 43 M C -2.437 173.357 176.300 -0.844 0.000 1.123 43 M CA -1.832 53.097 55.300 -0.618 0.000 1.035 43 M CB 1.096 33.420 32.600 -0.461 0.000 1.484 43 M HN 0.326 nan 8.290 nan 0.000 0.428 44 P HA 0.050 nan 4.420 nan 0.000 0.267 44 P C -0.752 176.370 177.300 -0.296 0.000 1.200 44 P CA -0.230 62.718 63.100 -0.252 0.000 0.772 44 P CB 0.553 32.170 31.700 -0.139 0.000 0.855 45 V N 2.771 122.560 119.914 -0.208 0.000 2.407 45 V HA 0.530 4.701 4.120 0.085 0.000 0.278 45 V C 1.133 177.120 176.094 -0.179 0.000 1.037 45 V CA 0.065 62.251 62.300 -0.190 0.000 0.900 45 V CB 1.154 32.897 31.823 -0.134 0.000 0.983 45 V HN 0.771 nan 8.190 nan 0.000 0.459 46 G N 1.754 110.436 108.800 -0.196 0.000 4.928 46 G HA2 0.259 4.270 3.960 0.085 0.000 0.321 46 G HA3 0.259 4.270 3.960 0.085 0.000 0.321 46 G C 1.008 175.821 174.900 -0.145 0.000 1.455 46 G CA 0.455 45.449 45.100 -0.176 0.000 1.081 46 G HN 0.805 nan 8.290 nan 0.000 0.569 47 T N -1.679 112.775 114.554 -0.168 0.000 2.720 47 T HA -0.042 4.359 4.350 0.085 0.000 0.268 47 T C 1.775 176.390 174.700 -0.142 0.000 1.037 47 T CA 1.680 63.643 62.100 -0.228 0.000 1.144 47 T CB 0.057 68.618 68.868 -0.511 0.000 0.864 47 T HN 0.583 nan 8.240 nan 0.000 0.444 48 A N 0.218 122.984 122.820 -0.090 0.000 3.159 48 A HA 0.802 5.173 4.320 0.085 0.000 0.301 48 A C 1.209 178.811 177.584 0.030 0.000 1.271 48 A CA 0.269 52.305 52.037 -0.002 0.000 0.998 48 A CB -1.145 17.863 19.000 0.012 0.000 1.101 48 A HN 1.657 nan 8.150 nan 0.000 0.610 49 A N -0.863 121.970 122.820 0.020 0.000 2.869 49 A HA -0.074 4.297 4.320 0.085 0.000 0.280 49 A C 0.584 178.152 177.584 -0.028 0.000 1.458 49 A CA 1.415 53.478 52.037 0.043 0.000 0.776 49 A CB -2.251 16.880 19.000 0.219 0.000 1.028 49 A HN 2.070 nan 8.150 nan 0.000 0.547 50 T N -1.543 112.973 114.554 -0.063 0.000 3.159 50 T HA 0.489 4.890 4.350 0.085 0.000 0.343 50 T C -0.618 174.020 174.700 -0.104 0.000 1.364 50 T CA 0.261 62.313 62.100 -0.081 0.000 1.102 50 T CB 1.382 70.211 68.868 -0.065 0.000 1.263 50 T HN 1.187 nan 8.240 nan 0.000 0.477 51 V N 6.075 125.917 119.914 -0.120 0.000 2.405 51 V HA 0.301 4.472 4.120 0.085 0.000 0.264 51 V C 0.849 176.897 176.094 -0.077 0.000 1.048 51 V CA -0.410 61.819 62.300 -0.120 0.000 0.966 51 V CB 0.344 32.077 31.823 -0.149 0.000 1.015 51 V HN 0.794 nan 8.190 nan 0.000 0.477 52 K N 4.273 124.633 120.400 -0.068 0.000 2.472 52 K HA 0.272 4.643 4.320 0.085 0.000 0.280 52 K C 1.124 177.700 176.600 -0.041 0.000 1.028 52 K CA 0.792 57.048 56.287 -0.051 0.000 1.045 52 K CB 0.271 32.742 32.500 -0.048 0.000 0.902 52 K HN 1.057 nan 8.250 nan 0.000 0.478 53 A N 2.390 125.188 122.820 -0.037 0.000 3.021 53 A HA -0.190 4.181 4.320 0.085 0.000 0.257 53 A C -0.180 177.392 177.584 -0.020 0.000 1.277 53 A CA 0.810 52.828 52.037 -0.032 0.000 1.012 53 A CB -2.066 16.911 19.000 -0.037 0.000 1.147 53 A HN 0.564 nan 8.150 nan 0.000 0.861 54 L N -0.650 120.564 121.223 -0.016 0.000 2.386 54 L HA 0.457 4.848 4.340 0.085 0.000 0.271 54 L C 0.438 177.315 176.870 0.012 0.000 0.993 54 L CA -0.924 53.919 54.840 0.005 0.000 0.819 54 L CB 1.830 43.894 42.059 0.010 0.000 1.294 54 L HN 0.238 nan 8.230 nan 0.000 0.414 55 K N 2.664 123.084 120.400 0.032 0.000 2.355 55 K HA 0.109 4.481 4.320 0.085 0.000 0.270 55 K C -1.573 175.082 176.600 0.092 0.000 1.003 55 K CA -1.371 54.946 56.287 0.049 0.000 0.957 55 K CB 0.780 33.312 32.500 0.053 0.000 0.939 55 K HN 0.262 nan 8.250 nan 0.000 0.482 56 P HA -0.269 nan 4.420 nan 0.000 0.216 56 P C 0.836 178.309 177.300 0.289 0.000 1.150 56 P CA 1.443 64.714 63.100 0.285 0.000 0.843 56 P CB 0.056 31.966 31.700 0.350 0.000 0.787 57 E N -1.025 119.274 120.200 0.166 0.000 2.153 57 E HA -0.137 4.264 4.350 0.085 0.000 0.194 57 E C 1.285 177.967 176.600 0.137 0.000 0.988 57 E CA 1.467 57.943 56.400 0.127 0.000 0.811 57 E CB -1.410 28.336 29.700 0.078 0.000 0.746 57 E HN 0.158 nan 8.360 nan 0.000 0.466 58 T N 1.182 115.814 114.554 0.129 0.000 2.812 58 T HA -0.060 4.342 4.350 0.085 0.000 0.264 58 T C 2.104 176.888 174.700 0.140 0.000 1.042 58 T CA 1.159 63.332 62.100 0.121 0.000 1.140 58 T CB -0.167 68.759 68.868 0.097 0.000 0.870 58 T HN 0.037 nan 8.240 nan 0.000 0.445 59 V N 1.942 121.951 119.914 0.159 0.000 2.287 59 V HA -0.205 3.967 4.120 0.085 0.000 0.248 59 V C 2.654 178.910 176.094 0.270 0.000 1.053 59 V CA 1.843 64.243 62.300 0.166 0.000 1.027 59 V CB -0.585 31.284 31.823 0.076 0.000 0.646 59 V HN 0.269 nan 8.190 nan 0.000 0.447 60 R N 1.097 121.822 120.500 0.375 0.000 2.075 60 R HA -0.025 4.366 4.340 0.085 0.000 0.232 60 R C 2.140 178.542 176.300 0.170 0.000 1.126 60 R CA 1.782 58.058 56.100 0.294 0.000 0.963 60 R CB -1.029 29.360 30.300 0.148 0.000 0.858 60 R HN 0.427 nan 8.270 nan 0.000 0.435 61 A N -0.297 122.607 122.820 0.140 0.000 2.024 61 A HA -0.172 4.199 4.320 0.085 0.000 0.220 61 A C 2.085 179.739 177.584 0.116 0.000 1.164 61 A CA 2.072 54.175 52.037 0.110 0.000 0.643 61 A CB -1.214 17.848 19.000 0.104 0.000 0.806 61 A HN 0.641 nan 8.150 nan 0.000 0.451 62 T N -4.536 110.097 114.554 0.131 0.000 3.072 62 T HA 0.341 4.742 4.350 0.085 0.000 0.266 62 T C 1.413 176.187 174.700 0.123 0.000 1.127 62 T CA 1.338 63.514 62.100 0.126 0.000 1.107 62 T CB 0.005 68.947 68.868 0.123 0.000 0.910 62 T HN 1.655 nan 8.240 nan 0.000 0.513 63 G N 0.630 109.508 108.800 0.130 0.000 2.229 63 G HA2 0.090 4.101 3.960 0.085 0.000 0.189 63 G HA3 0.090 4.101 3.960 0.085 0.000 0.189 63 G C 0.275 175.265 174.900 0.150 0.000 1.000 63 G CA -0.196 44.975 45.100 0.119 0.000 0.663 63 G HN 1.071 nan 8.290 nan 0.000 0.493 64 A N 0.414 123.352 122.820 0.197 0.000 2.462 64 A HA 0.549 4.920 4.320 0.085 0.000 0.243 64 A C 0.953 178.724 177.584 0.311 0.000 1.076 64 A CA 0.950 53.125 52.037 0.229 0.000 0.773 64 A CB 0.322 19.440 19.000 0.196 0.000 1.010 64 A HN 0.148 nan 8.150 nan 0.000 0.493 65 D N 0.253 120.804 120.400 0.252 0.000 2.392 65 D HA 0.226 4.918 4.640 0.085 0.000 0.206 65 D C 0.089 176.603 176.300 0.357 0.000 1.046 65 D CA 0.818 54.962 54.000 0.241 0.000 0.865 65 D CB 0.510 41.387 40.800 0.128 0.000 0.969 65 D HN 0.548 nan 8.370 nan 0.000 0.509 66 I N 0.616 121.381 120.570 0.325 0.000 2.787 66 I HA 0.273 4.494 4.170 0.085 0.000 0.294 66 I C -1.780 174.292 176.117 -0.075 0.000 1.365 66 I CA -0.924 60.511 61.300 0.224 0.000 1.029 66 I CB 2.114 40.159 38.000 0.076 0.000 1.313 66 I HN -0.216 nan 8.210 nan 0.000 0.431 67 I N 4.268 124.673 120.570 -0.275 0.000 2.957 67 I HA 0.607 4.828 4.170 0.085 0.000 0.310 67 I C -1.794 174.122 176.117 -0.335 0.000 1.063 67 I CA -0.963 60.056 61.300 -0.468 0.000 1.033 67 I CB 2.094 39.585 38.000 -0.849 0.000 1.230 67 I HN 0.632 nan 8.210 nan 0.000 0.447 68 L N 2.802 123.838 121.223 -0.312 0.000 2.309 68 L HA 0.850 5.241 4.340 0.085 0.000 0.282 68 L C 0.059 176.815 176.870 -0.190 0.000 1.036 68 L CA -0.041 54.664 54.840 -0.226 0.000 0.806 68 L CB 1.322 43.263 42.059 -0.197 0.000 1.220 68 L HN 0.924 nan 8.230 nan 0.000 0.429 69 G N 2.650 111.370 108.800 -0.133 0.000 2.489 69 G HA2 0.397 4.408 3.960 0.085 0.000 0.327 69 G HA3 0.397 4.408 3.960 0.085 0.000 0.327 69 G C -1.309 173.580 174.900 -0.018 0.000 1.189 69 G CA -0.675 44.374 45.100 -0.085 0.000 0.962 69 G HN 0.571 nan 8.290 nan 0.000 0.486 70 N N 0.006 118.727 118.700 0.035 0.000 2.399 70 N HA 0.263 5.054 4.740 0.085 0.000 0.280 70 N C 1.074 176.679 175.510 0.159 0.000 1.008 70 N CA -0.437 52.694 53.050 0.135 0.000 0.894 70 N CB 2.100 40.741 38.487 0.256 0.000 1.273 70 N HN 0.367 nan 8.380 nan 0.000 0.486 71 T N 0.961 115.606 114.554 0.151 0.000 2.665 71 T HA -0.214 4.187 4.350 0.085 0.000 0.268 71 T C 1.562 176.350 174.700 0.146 0.000 1.035 71 T CA 1.496 63.675 62.100 0.132 0.000 1.151 71 T CB -0.348 68.609 68.868 0.148 0.000 0.862 71 T HN 0.606 nan 8.240 nan 0.000 0.438 72 Y N 1.465 121.807 120.300 0.069 0.000 2.114 72 Y HA -0.219 4.381 4.550 0.084 0.000 0.284 72 Y C 2.594 178.462 175.900 -0.053 0.000 1.143 72 Y CA 1.622 59.703 58.100 -0.031 0.000 1.135 72 Y CB -0.524 37.855 38.460 -0.136 0.000 0.980 72 Y HN 0.416 nan 8.280 nan 0.000 0.499 73 H N -0.311 118.769 119.070 0.018 0.000 2.357 73 H HA -0.118 4.490 4.556 0.087 0.000 0.301 73 H C 2.322 177.579 175.328 -0.118 0.000 1.082 73 H CA 1.825 57.818 56.048 -0.093 0.000 1.342 73 H CB -0.267 29.526 29.762 0.053 0.000 1.389 73 H HN 0.377 nan 8.280 nan 0.000 0.511 74 L N 1.083 122.351 121.223 0.074 0.000 2.217 74 L HA -0.128 4.263 4.340 0.085 0.000 0.211 74 L C 2.856 179.694 176.870 -0.054 0.000 1.107 74 L CA 0.594 55.442 54.840 0.012 0.000 0.783 74 L CB -0.320 41.751 42.059 0.019 0.000 0.919 74 L HN 0.303 nan 8.230 nan 0.000 0.442 75 M N -1.188 118.365 119.600 -0.077 0.000 2.296 75 M HA -0.150 4.381 4.480 0.085 0.000 0.265 75 M C 1.818 178.015 176.300 -0.172 0.000 1.064 75 M CA 1.804 57.045 55.300 -0.098 0.000 1.109 75 M CB -0.315 32.249 32.600 -0.060 0.000 1.396 75 M HN 0.174 nan 8.290 nan 0.000 0.430 76 L N -0.042 121.025 121.223 -0.260 0.000 2.102 76 L HA 0.162 4.553 4.340 0.085 0.000 0.202 76 L C 1.504 178.291 176.870 -0.139 0.000 1.076 76 L CA 0.597 55.255 54.840 -0.304 0.000 0.761 76 L CB -0.032 41.775 42.059 -0.421 0.000 0.921 76 L HN 0.356 nan 8.230 nan 0.000 0.444 77 R N 0.191 120.637 120.500 -0.090 0.000 2.518 77 R HA 0.208 4.599 4.340 0.085 0.000 0.287 77 R C -2.410 173.895 176.300 0.008 0.000 1.135 77 R CA -1.066 55.019 56.100 -0.025 0.000 0.967 77 R CB 1.945 32.244 30.300 -0.003 0.000 1.212 77 R HN -0.239 nan 8.270 nan 0.000 0.422 78 P HA 0.211 nan 4.420 nan 0.000 0.261 78 P C -0.120 177.139 177.300 -0.068 0.000 1.268 78 P CA 0.423 63.511 63.100 -0.020 0.000 0.833 78 P CB 0.795 32.484 31.700 -0.017 0.000 1.231 79 G N -0.170 108.579 108.800 -0.085 0.000 2.770 79 G HA2 0.096 4.107 3.960 0.085 0.000 0.686 79 G HA3 0.096 4.107 3.960 0.085 0.000 0.686 79 G C 0.597 175.432 174.900 -0.109 0.000 1.180 79 G CA -0.416 44.634 45.100 -0.083 0.000 0.767 79 G HN 0.158 nan 8.290 nan 0.000 0.646 80 A N 0.992 123.763 122.820 -0.082 0.000 1.897 80 A HA 0.200 4.571 4.320 0.085 0.000 0.215 80 A C 2.053 179.581 177.584 -0.095 0.000 1.181 80 A CA 2.323 54.309 52.037 -0.084 0.000 0.620 80 A CB -0.349 18.622 19.000 -0.048 0.000 0.821 80 A HN 0.857 nan 8.150 nan 0.000 0.443 81 E N -0.404 119.752 120.200 -0.073 0.000 2.110 81 E HA -0.168 4.233 4.350 0.085 0.000 0.193 81 E C 2.137 178.683 176.600 -0.090 0.000 0.988 81 E CA 1.376 57.735 56.400 -0.068 0.000 0.804 81 E CB -0.223 29.450 29.700 -0.045 0.000 0.745 81 E HN 0.633 nan 8.360 nan 0.000 0.458 82 R N 0.507 120.942 120.500 -0.108 0.000 2.073 82 R HA -0.108 4.284 4.340 0.085 0.000 0.234 82 R C 2.179 178.351 176.300 -0.212 0.000 1.134 82 R CA 1.460 57.480 56.100 -0.134 0.000 0.952 82 R CB -0.363 29.859 30.300 -0.130 0.000 0.850 82 R HN 0.172 nan 8.270 nan 0.000 0.433 83 I N 0.884 121.278 120.570 -0.293 0.000 2.286 83 I HA -0.246 3.975 4.170 0.085 0.000 0.248 83 I C 2.521 178.506 176.117 -0.221 0.000 1.115 83 I CA 1.259 62.317 61.300 -0.403 0.000 1.392 83 I CB -0.334 37.409 38.000 -0.429 0.000 1.065 83 I HN 0.381 nan 8.210 nan 0.000 0.418 84 A N 0.562 123.290 122.820 -0.154 0.000 1.902 84 A HA -0.268 4.103 4.320 0.085 0.000 0.217 84 A C 2.338 179.873 177.584 -0.082 0.000 1.181 84 A CA 1.891 53.861 52.037 -0.112 0.000 0.623 84 A CB -0.493 18.442 19.000 -0.108 0.000 0.818 84 A HN 0.348 nan 8.150 nan 0.000 0.443 85 K N -0.277 120.075 120.400 -0.080 0.000 2.147 85 K HA 0.006 4.377 4.320 0.085 0.000 0.205 85 K C 1.342 177.920 176.600 -0.037 0.000 1.049 85 K CA 1.090 57.347 56.287 -0.051 0.000 0.936 85 K CB -0.270 32.202 32.500 -0.047 0.000 0.722 85 K HN 0.490 nan 8.250 nan 0.000 0.446 86 L N -0.765 120.424 121.223 -0.057 0.000 2.599 86 L HA 0.166 4.557 4.340 0.085 0.000 0.230 86 L C 1.040 177.926 176.870 0.027 0.000 1.141 86 L CA 0.486 55.322 54.840 -0.007 0.000 0.877 86 L CB 0.329 42.383 42.059 -0.008 0.000 1.009 86 L HN 0.572 nan 8.230 nan 0.000 0.447 87 G N -0.881 107.919 108.800 -0.000 0.000 2.192 87 G HA2 0.041 4.052 3.960 0.085 0.000 0.193 87 G HA3 0.041 4.052 3.960 0.085 0.000 0.193 87 G C 0.498 175.417 174.900 0.033 0.000 0.999 87 G CA -0.321 44.792 45.100 0.022 0.000 0.659 87 G HN 0.757 nan 8.290 nan 0.000 0.503 88 G N -1.561 107.242 108.800 0.004 0.000 2.663 88 G HA2 0.185 4.196 3.960 0.085 0.000 0.686 88 G HA3 0.185 4.196 3.960 0.085 0.000 0.686 88 G C 0.468 175.420 174.900 0.087 0.000 1.288 88 G CA -0.009 45.105 45.100 0.024 0.000 0.836 88 G HN 1.509 nan 8.290 nan 0.000 0.584 89 L N 0.147 121.414 121.223 0.075 0.000 2.093 89 L HA 0.074 4.466 4.340 0.085 0.000 0.208 89 L C 2.640 179.595 176.870 0.141 0.000 1.085 89 L CA 2.770 57.667 54.840 0.095 0.000 0.755 89 L CB -0.674 41.372 42.059 -0.022 0.000 0.904 89 L HN 0.737 nan 8.230 nan 0.000 0.435 90 H N -1.675 117.485 119.070 0.149 0.000 2.321 90 H HA -0.142 4.464 4.556 0.084 0.000 0.300 90 H C 2.381 177.797 175.328 0.147 0.000 1.087 90 H CA 1.714 57.862 56.048 0.167 0.000 1.319 90 H CB -0.317 29.516 29.762 0.118 0.000 1.379 90 H HN 0.432 nan 8.280 nan 0.000 0.501 91 S N 0.306 116.160 115.700 0.257 0.000 2.368 91 S HA -0.154 4.367 4.470 0.085 0.000 0.224 91 S C 2.050 176.771 174.600 0.202 0.000 1.029 91 S CA 0.793 59.102 58.200 0.181 0.000 0.988 91 S CB -0.464 62.820 63.200 0.140 0.000 0.838 91 S HN 0.291 nan 8.310 nan 0.000 0.462 92 F N 3.096 123.080 119.950 0.057 0.000 2.069 92 F HA -0.091 4.492 4.527 0.093 0.000 0.298 92 F C 2.120 177.944 175.800 0.041 0.000 1.113 92 F CA 2.230 60.252 58.000 0.036 0.000 1.214 92 F CB -0.463 38.549 39.000 0.020 0.000 0.978 92 F HN 0.382 nan 8.300 nan 0.000 0.474 93 M N -1.581 118.059 119.600 0.068 0.000 2.441 93 M HA 0.419 4.950 4.480 0.085 0.000 0.244 93 M C 1.299 177.627 176.300 0.048 0.000 1.122 93 M CA 0.945 56.219 55.300 -0.043 0.000 1.041 93 M CB 0.117 32.725 32.600 0.014 0.000 1.438 93 M HN 0.211 nan 8.290 nan 0.000 0.484 94 G N 1.460 110.324 108.800 0.107 0.000 2.182 94 G HA2 -0.243 3.769 3.960 0.085 0.000 0.248 94 G HA3 -0.243 3.769 3.960 0.085 0.000 0.248 94 G C -0.746 174.273 174.900 0.197 0.000 1.042 94 G CA 0.151 45.320 45.100 0.116 0.000 0.775 94 G HN 0.760 nan 8.290 nan 0.000 0.501 95 W N 1.782 123.110 121.300 0.046 0.000 2.362 95 W HA 0.504 5.205 4.660 0.067 0.000 0.316 95 W C 0.154 176.767 176.519 0.158 0.000 1.024 95 W CA -0.105 57.278 57.345 0.062 0.000 1.270 95 W CB 1.207 30.677 29.460 0.018 0.000 1.273 95 W HN 0.284 nan 8.180 nan 0.000 0.424 96 D N 3.493 123.723 120.400 -0.284 0.000 2.349 96 D HA 0.085 4.776 4.640 0.085 0.000 0.214 96 D C 0.430 176.569 176.300 -0.267 0.000 1.063 96 D CA 0.125 54.025 54.000 -0.166 0.000 0.847 96 D CB 0.356 41.058 40.800 -0.164 0.000 0.933 96 D HN 0.195 nan 8.370 nan 0.000 0.513 97 R N 0.081 120.213 120.500 -0.614 0.000 2.606 97 R HA 0.503 4.894 4.340 0.085 0.000 0.249 97 R C -2.439 174.005 176.300 0.240 0.000 1.127 97 R CA -2.026 53.881 56.100 -0.321 0.000 1.133 97 R CB 0.254 30.172 30.300 -0.637 0.000 1.243 97 R HN -0.037 nan 8.270 nan 0.000 0.558 98 P HA 0.049 nan 4.420 nan 0.000 0.269 98 P C -0.840 176.728 177.300 0.446 0.000 1.209 98 P CA 0.615 63.926 63.100 0.352 0.000 0.776 98 P CB 0.460 32.274 31.700 0.191 0.000 0.876 99 I N 2.457 123.205 120.570 0.297 0.000 2.466 99 I HA 0.360 4.581 4.170 0.085 0.000 0.289 99 I C -0.259 175.850 176.117 -0.015 0.000 1.026 99 I CA -0.900 60.437 61.300 0.060 0.000 1.078 99 I CB 1.800 39.737 38.000 -0.106 0.000 1.249 99 I HN 0.169 nan 8.210 nan 0.000 0.429 100 L N 6.501 127.658 121.223 -0.110 0.000 2.289 100 L HA 0.597 4.988 4.340 0.085 0.000 0.285 100 L C -0.063 176.739 176.870 -0.114 0.000 1.049 100 L CA -0.041 54.702 54.840 -0.163 0.000 0.804 100 L CB 1.413 43.293 42.059 -0.297 0.000 1.195 100 L HN 0.717 nan 8.230 nan 0.000 0.428 101 T N -0.060 114.454 114.554 -0.066 0.000 2.797 101 T HA 0.347 4.748 4.350 0.085 0.000 0.279 101 T C -0.334 174.378 174.700 0.020 0.000 0.991 101 T CA -0.896 61.194 62.100 -0.016 0.000 0.979 101 T CB 1.563 70.441 68.868 0.017 0.000 0.943 101 T HN 0.505 nan 8.240 nan 0.000 0.444 102 D N 1.108 121.536 120.400 0.047 0.000 2.360 102 D HA 0.189 4.881 4.640 0.085 0.000 0.242 102 D C 1.326 177.698 176.300 0.120 0.000 1.184 102 D CA -0.291 53.758 54.000 0.083 0.000 0.930 102 D CB 1.292 42.140 40.800 0.081 0.000 1.161 102 D HN 0.636 nan 8.370 nan 0.000 0.447 103 S N 0.389 116.178 115.700 0.147 0.000 2.548 103 S HA 0.402 4.923 4.470 0.085 0.000 0.215 103 S C 1.066 175.861 174.600 0.325 0.000 0.976 103 S CA 0.383 58.723 58.200 0.233 0.000 0.908 103 S CB -0.183 63.177 63.200 0.266 0.000 0.781 103 S HN 0.909 nan 8.310 nan 0.000 0.519 104 G N -0.130 108.819 108.800 0.247 0.000 2.655 104 G HA2 0.382 4.393 3.960 0.085 0.000 0.680 104 G HA3 0.382 4.393 3.960 0.085 0.000 0.680 104 G C 0.552 175.551 174.900 0.165 0.000 1.302 104 G CA -0.122 45.127 45.100 0.249 0.000 0.872 104 G HN 1.593 nan 8.290 nan 0.000 0.540 105 G N -1.209 107.615 108.800 0.040 0.000 3.206 105 G HA2 -0.271 3.740 3.960 0.085 0.000 0.217 105 G HA3 -0.271 3.740 3.960 0.085 0.000 0.217 105 G C 1.396 176.238 174.900 -0.096 0.000 1.350 105 G CA 1.823 46.877 45.100 -0.077 0.000 0.836 105 G HN 2.242 nan 8.290 nan 0.000 0.548 106 Y N 1.719 121.939 120.300 -0.134 0.000 2.114 106 Y HA -0.049 4.552 4.550 0.085 0.000 0.284 106 Y C 3.130 178.918 175.900 -0.187 0.000 1.143 106 Y CA 2.884 60.909 58.100 -0.126 0.000 1.135 106 Y CB -0.141 38.267 38.460 -0.087 0.000 0.980 106 Y HN 0.328 nan 8.280 nan 0.000 0.499 107 Q N -0.434 119.302 119.800 -0.106 0.000 2.230 107 Q HA -0.104 4.287 4.340 0.085 0.000 0.202 107 Q C 2.513 177.988 176.000 -0.876 0.000 0.963 107 Q CA 1.305 56.874 55.803 -0.390 0.000 0.866 107 Q CB -0.601 28.002 28.738 -0.225 0.000 0.931 107 Q HN 0.474 nan 8.270 nan 0.000 0.452 108 V N 1.028 120.498 119.914 -0.740 0.000 2.261 108 V HA -0.322 3.849 4.120 0.085 0.000 0.246 108 V C 2.877 178.664 176.094 -0.512 0.000 1.047 108 V CA 2.523 64.337 62.300 -0.809 0.000 1.015 108 V CB -1.133 30.330 31.823 -0.599 0.000 0.642 108 V HN 0.451 nan 8.190 nan 0.000 0.446 109 M N -1.009 118.368 119.600 -0.373 0.000 2.213 109 M HA -0.174 4.357 4.480 0.085 0.000 0.263 109 M C 2.433 178.542 176.300 -0.319 0.000 1.062 109 M CA 2.778 57.912 55.300 -0.277 0.000 1.105 109 M CB -1.536 30.923 32.600 -0.235 0.000 1.385 109 M HN 0.472 nan 8.290 nan 0.000 0.417 110 S N -0.590 114.835 115.700 -0.458 0.000 2.345 110 S HA 0.011 4.532 4.470 0.085 0.000 0.219 110 S C 1.659 176.100 174.600 -0.266 0.000 1.031 110 S CA 1.853 59.810 58.200 -0.406 0.000 0.984 110 S CB -0.097 62.789 63.200 -0.524 0.000 0.874 110 S HN 0.625 nan 8.310 nan 0.000 0.451 111 L N 0.949 121.973 121.223 -0.332 0.000 2.609 111 L HA 0.505 4.896 4.340 0.085 0.000 0.230 111 L C 1.476 178.285 176.870 -0.101 0.000 1.087 111 L CA 0.568 55.292 54.840 -0.194 0.000 0.874 111 L CB -1.107 40.828 42.059 -0.207 0.000 1.114 111 L HN 0.314 nan 8.230 nan 0.000 0.488 115 T N 0.166 114.802 114.554 0.138 0.000 2.982 115 T HA 1.107 5.508 4.350 0.085 0.000 0.321 115 T C -0.289 174.487 174.700 0.128 0.000 1.229 115 T CA 0.198 62.400 62.100 0.170 0.000 1.044 115 T CB 1.278 70.230 68.868 0.139 0.000 1.184 115 T HN 2.368 nan 8.240 nan 0.000 0.477 116 K N 2.615 123.104 120.400 0.148 0.000 2.559 116 K HA 0.731 5.102 4.320 0.085 0.000 0.249 116 K C -0.499 176.192 176.600 0.151 0.000 0.958 116 K CA -0.640 55.720 56.287 0.121 0.000 0.901 116 K CB 0.746 33.304 32.500 0.097 0.000 1.124 116 K HN 0.819 nan 8.250 nan 0.000 0.437 117 Q N 1.030 120.916 119.800 0.143 0.000 2.256 117 Q HA 0.667 5.058 4.340 0.085 0.000 0.257 117 Q C -0.005 176.101 176.000 0.177 0.000 0.936 117 Q CA -0.820 55.096 55.803 0.188 0.000 0.903 117 Q CB 1.893 30.732 28.738 0.168 0.000 1.263 117 Q HN 0.868 nan 8.270 nan 0.000 0.440 118 S N 0.014 115.857 115.700 0.238 0.000 2.720 118 S HA 0.261 4.782 4.470 0.085 0.000 0.287 118 S C 0.449 175.248 174.600 0.333 0.000 1.168 118 S CA -0.787 57.540 58.200 0.213 0.000 0.832 118 S CB 1.381 64.677 63.200 0.159 0.000 1.166 118 S HN 0.640 nan 8.310 nan 0.000 0.493 119 E N 0.494 120.859 120.200 0.274 0.000 2.265 119 E HA -0.115 4.286 4.350 0.085 0.000 0.196 119 E C 1.540 178.435 176.600 0.491 0.000 0.996 119 E CA 1.735 58.363 56.400 0.381 0.000 0.832 119 E CB -0.147 29.687 29.700 0.223 0.000 0.756 119 E HN 0.703 nan 8.360 nan 0.000 0.491 120 E N -0.876 119.492 120.200 0.280 0.000 2.230 120 E HA 0.135 4.536 4.350 0.085 0.000 0.192 120 E C 0.715 177.319 176.600 0.006 0.000 0.987 120 E CA 0.926 57.406 56.400 0.134 0.000 0.841 120 E CB 0.265 30.006 29.700 0.069 0.000 0.783 120 E HN 0.264 nan 8.360 nan 0.000 0.481 121 G N -1.390 107.482 108.800 0.120 0.000 2.403 121 G HA2 0.163 4.174 3.960 0.085 0.000 0.223 121 G HA3 0.163 4.174 3.960 0.085 0.000 0.223 121 G C -1.591 173.448 174.900 0.232 0.000 1.287 121 G CA -0.344 44.749 45.100 -0.012 0.000 0.982 121 G HN 0.437 nan 8.290 nan 0.000 0.471 122 V N 0.220 120.265 119.914 0.220 0.000 2.760 122 V HA 0.820 4.992 4.120 0.085 0.000 0.309 122 V C -0.657 175.633 176.094 0.327 0.000 1.077 122 V CA 0.166 62.646 62.300 0.301 0.000 0.910 122 V CB 1.946 33.982 31.823 0.355 0.000 1.008 122 V HN 1.158 nan 8.190 nan 0.000 0.424 123 T N 7.640 122.359 114.554 0.276 0.000 2.823 123 T HA 0.838 5.239 4.350 0.085 0.000 0.279 123 T C -0.913 173.967 174.700 0.300 0.000 0.998 123 T CA -0.096 62.124 62.100 0.200 0.000 0.994 123 T CB 1.041 69.946 68.868 0.062 0.000 0.960 123 T HN 0.838 nan 8.240 nan 0.000 0.448 124 F N -1.680 118.335 119.950 0.107 0.000 2.686 124 F HA 0.838 5.415 4.527 0.085 0.000 0.311 124 F C -0.715 175.172 175.800 0.146 0.000 1.128 124 F CA -1.610 56.464 58.000 0.123 0.000 0.946 124 F CB 0.630 39.723 39.000 0.156 0.000 1.336 124 F HN 0.534 nan 8.300 nan 0.000 0.457 125 K N 0.907 121.494 120.400 0.312 0.000 2.235 125 K HA 0.833 5.205 4.320 0.085 0.000 0.266 125 K C 0.057 176.864 176.600 0.346 0.000 0.980 125 K CA -0.282 56.136 56.287 0.218 0.000 0.849 125 K CB 0.308 32.888 32.500 0.134 0.000 1.098 125 K HN 1.444 nan 8.250 nan 0.000 0.445 132 R N 3.031 123.275 120.500 -0.426 0.000 2.442 132 R HA 0.679 5.070 4.340 0.085 0.000 0.291 132 R C -0.237 175.539 176.300 -0.874 0.000 1.069 132 R CA 0.138 55.960 56.100 -0.464 0.000 1.022 132 R CB -0.360 29.770 30.300 -0.284 0.000 0.976 132 R HN 0.807 nan 8.270 nan 0.000 0.443 133 H N 0.094 118.834 119.070 -0.549 0.000 2.894 133 H HA 0.848 5.455 4.556 0.086 0.000 0.368 133 H C -0.222 174.672 175.328 -0.722 0.000 1.181 133 H CA 0.027 55.641 56.048 -0.725 0.000 1.146 133 H CB 2.071 31.187 29.762 -1.077 0.000 1.839 133 H HN 0.891 nan 8.280 nan 0.000 0.557 134 M N 1.658 121.115 119.600 -0.240 0.000 2.433 134 M HA 0.615 5.146 4.480 0.085 0.000 0.290 134 M C -1.730 174.646 176.300 0.127 0.000 1.173 134 M CA -0.705 54.583 55.300 -0.021 0.000 0.905 134 M CB 1.656 34.226 32.600 -0.051 0.000 1.692 134 M HN 0.466 nan 8.290 nan 0.000 0.462 135 L N 2.310 123.636 121.223 0.171 0.000 2.388 135 L HA 0.958 5.349 4.340 0.085 0.000 0.264 135 L C 0.256 176.864 176.870 -0.436 0.000 0.998 135 L CA -0.860 53.914 54.840 -0.111 0.000 0.817 135 L CB 2.519 44.562 42.059 -0.027 0.000 1.338 135 L HN 1.150 nan 8.230 nan 0.000 0.414 136 S N 0.490 115.710 115.700 -0.799 0.000 2.625 136 S HA 0.556 5.077 4.470 0.085 0.000 0.271 136 S C -2.645 171.323 174.600 -1.053 0.000 1.161 136 S CA -1.202 56.490 58.200 -0.847 0.000 0.820 136 S CB 2.033 64.986 63.200 -0.412 0.000 1.137 136 S HN 0.262 nan 8.310 nan 0.000 0.470 137 P HA -0.099 nan 4.420 nan 0.000 0.215 137 P C 0.935 178.107 177.300 -0.214 0.000 1.157 137 P CA 1.592 64.492 63.100 -0.332 0.000 0.874 137 P CB -0.014 31.605 31.700 -0.136 0.000 0.790 138 E N -1.063 119.020 120.200 -0.195 0.000 2.072 138 E HA -0.177 4.224 4.350 0.085 0.000 0.191 138 E C 2.155 178.684 176.600 -0.117 0.000 0.985 138 E CA 0.996 57.332 56.400 -0.107 0.000 0.801 138 E CB -0.592 29.058 29.700 -0.084 0.000 0.750 138 E HN 0.013 nan 8.360 nan 0.000 0.452 139 R N 0.444 120.832 120.500 -0.186 0.000 2.092 139 R HA 0.005 4.396 4.340 0.085 0.000 0.231 139 R C 2.272 178.495 176.300 -0.128 0.000 1.119 139 R CA 1.620 57.633 56.100 -0.145 0.000 0.970 139 R CB -0.878 29.326 30.300 -0.160 0.000 0.864 139 R HN 0.147 nan 8.270 nan 0.000 0.440 140 S N -0.191 115.375 115.700 -0.223 0.000 2.359 140 S HA -0.071 4.450 4.470 0.085 0.000 0.224 140 S C 1.834 176.443 174.600 0.016 0.000 1.035 140 S CA 1.391 59.524 58.200 -0.112 0.000 1.018 140 S CB -0.236 62.865 63.200 -0.166 0.000 0.876 140 S HN 0.329 nan 8.310 nan 0.000 0.448 141 I N 1.782 122.371 120.570 0.031 0.000 2.315 141 I HA -0.083 4.138 4.170 0.085 0.000 0.248 141 I C 2.566 178.744 176.117 0.102 0.000 1.117 141 I CA 1.381 62.748 61.300 0.112 0.000 1.404 141 I CB -1.495 36.590 38.000 0.142 0.000 1.071 141 I HN 0.559 nan 8.210 nan 0.000 0.419 142 E N 1.382 121.613 120.200 0.050 0.000 2.072 142 E HA -0.195 4.206 4.350 0.085 0.000 0.191 142 E C 2.412 179.066 176.600 0.091 0.000 0.985 142 E CA 1.050 57.493 56.400 0.072 0.000 0.801 142 E CB 0.016 29.730 29.700 0.024 0.000 0.750 142 E HN 0.417 nan 8.360 nan 0.000 0.452 143 I N 1.086 121.684 120.570 0.046 0.000 2.163 143 I HA -0.329 3.893 4.170 0.085 0.000 0.243 143 I C 2.632 178.778 176.117 0.048 0.000 1.085 143 I CA 1.433 62.753 61.300 0.033 0.000 1.347 143 I CB -0.278 37.736 38.000 0.023 0.000 1.044 143 I HN 0.200 nan 8.210 nan 0.000 0.408 144 Q N -0.610 119.239 119.800 0.083 0.000 2.170 144 Q HA -0.275 4.117 4.340 0.085 0.000 0.203 144 Q C 2.116 178.180 176.000 0.107 0.000 0.976 144 Q CA 1.657 57.516 55.803 0.094 0.000 0.858 144 Q CB -0.320 28.494 28.738 0.126 0.000 0.907 144 Q HN 0.573 nan 8.270 nan 0.000 0.433 145 H N 0.922 120.014 119.070 0.036 0.000 2.321 145 H HA -0.088 4.519 4.556 0.086 0.000 0.300 145 H C 1.785 177.118 175.328 0.008 0.000 1.087 145 H CA 1.573 57.628 56.048 0.012 0.000 1.319 145 H CB -0.215 29.536 29.762 -0.019 0.000 1.379 145 H HN 0.118 nan 8.280 nan 0.000 0.501 146 L N -0.224 120.891 121.223 -0.180 0.000 2.083 146 L HA -0.166 4.225 4.340 0.085 0.000 0.209 146 L C 2.493 179.266 176.870 -0.162 0.000 1.083 146 L CA 1.029 55.744 54.840 -0.209 0.000 0.752 146 L CB -0.366 41.645 42.059 -0.080 0.000 0.899 146 L HN 0.321 nan 8.230 nan 0.000 0.433 147 L N -0.480 120.689 121.223 -0.090 0.000 2.201 147 L HA -0.022 4.369 4.340 0.085 0.000 0.212 147 L C 1.484 178.340 176.870 -0.022 0.000 1.105 147 L CA 0.835 55.641 54.840 -0.058 0.000 0.775 147 L CB -0.696 41.346 42.059 -0.027 0.000 0.913 147 L HN 0.524 nan 8.230 nan 0.000 0.440 148 G N 0.306 109.089 108.800 -0.029 0.000 2.142 148 G HA2 -0.271 3.740 3.960 0.085 0.000 0.225 148 G HA3 -0.271 3.740 3.960 0.085 0.000 0.225 148 G C 0.316 175.324 174.900 0.179 0.000 1.015 148 G CA 0.321 45.455 45.100 0.056 0.000 0.716 148 G HN 0.321 nan 8.290 nan 0.000 0.508 149 S N -0.438 115.337 115.700 0.123 0.000 2.552 149 S HA 0.254 4.775 4.470 0.085 0.000 0.289 149 S C 1.448 176.157 174.600 0.182 0.000 1.304 149 S CA 0.760 59.041 58.200 0.134 0.000 1.063 149 S CB 0.432 63.685 63.200 0.089 0.000 0.848 149 S HN 0.306 nan 8.310 nan 0.000 0.499 150 D N 3.094 123.609 120.400 0.191 0.000 2.216 150 D HA 0.111 4.802 4.640 0.085 0.000 0.208 150 D C 0.236 176.597 176.300 0.102 0.000 0.960 150 D CA 0.991 55.089 54.000 0.163 0.000 0.861 150 D CB 0.183 41.088 40.800 0.175 0.000 0.985 150 D HN 0.514 nan 8.370 nan 0.000 0.493 151 I N 2.075 122.643 120.570 -0.003 0.000 2.382 151 I HA 0.151 4.372 4.170 0.085 0.000 0.285 151 I C -0.530 175.504 176.117 -0.139 0.000 1.007 151 I CA -0.625 60.572 61.300 -0.172 0.000 1.142 151 I CB 2.423 40.142 38.000 -0.469 0.000 1.289 151 I HN -0.358 nan 8.210 nan 0.000 0.453 152 V N 6.765 126.647 119.914 -0.055 0.000 2.432 152 V HA 0.367 4.538 4.120 0.085 0.000 0.275 152 V C 0.420 176.494 176.094 -0.033 0.000 1.043 152 V CA -0.496 61.823 62.300 0.032 0.000 0.925 152 V CB 1.403 33.354 31.823 0.214 0.000 0.985 152 V HN 0.576 nan 8.190 nan 0.000 0.466 153 M N 3.632 123.241 119.600 0.015 0.000 2.318 153 M HA 0.518 5.049 4.480 0.085 0.000 0.347 153 M C 0.394 176.737 176.300 0.071 0.000 1.175 153 M CA -0.505 54.812 55.300 0.030 0.000 1.075 153 M CB 1.227 33.860 32.600 0.055 0.000 1.614 153 M HN 0.737 nan 8.290 nan 0.000 0.456 154 A N 2.892 125.729 122.820 0.029 0.000 2.466 154 A HA 0.200 4.572 4.320 0.085 0.000 0.238 154 A C -0.455 177.229 177.584 0.167 0.000 1.074 154 A CA -0.177 51.918 52.037 0.097 0.000 0.774 154 A CB -0.084 18.913 19.000 -0.005 0.000 1.015 154 A HN 0.742 nan 8.150 nan 0.000 0.498 155 F N 2.673 122.678 119.950 0.091 0.000 2.445 155 F HA 0.378 4.956 4.527 0.084 0.000 0.359 155 F C 0.283 176.249 175.800 0.276 0.000 1.101 155 F CA -0.116 57.949 58.000 0.109 0.000 1.177 155 F CB 0.465 39.457 39.000 -0.013 0.000 1.110 155 F HN 0.753 nan 8.300 nan 0.000 0.522 156 D N 3.789 124.011 120.400 -0.296 0.000 2.585 156 D HA 0.232 4.923 4.640 0.085 0.000 0.254 156 D C -1.503 174.697 176.300 -0.166 0.000 1.067 156 D CA -0.810 53.145 54.000 -0.074 0.000 1.090 156 D CB 1.342 42.104 40.800 -0.063 0.000 1.408 156 D HN 0.581 nan 8.370 nan 0.000 0.554 157 E N -0.175 119.960 120.200 -0.107 0.000 2.114 157 E HA 0.400 4.801 4.350 0.085 0.000 0.266 157 E C -0.723 175.830 176.600 -0.078 0.000 0.896 157 E CA -0.760 55.570 56.400 -0.116 0.000 0.750 157 E CB 0.788 30.348 29.700 -0.233 0.000 1.121 157 E HN 0.429 nan 8.360 nan 0.000 0.413 158 C N 3.176 122.451 119.300 -0.041 0.000 2.679 158 C HA 0.176 4.687 4.460 0.085 0.000 0.417 158 C C 0.587 175.570 174.990 -0.012 0.000 1.302 158 C CA -0.337 58.685 59.018 0.007 0.000 1.973 158 C CB 0.108 27.898 27.740 0.083 0.000 2.715 158 C HN 0.627 nan 8.230 nan 0.000 0.628 159 T N 4.523 119.086 114.554 0.014 0.000 2.743 159 T HA 0.320 4.721 4.350 0.085 0.000 0.292 159 T C -2.235 172.499 174.700 0.057 0.000 0.972 159 T CA -0.440 61.676 62.100 0.026 0.000 0.967 159 T CB 0.812 69.707 68.868 0.045 0.000 0.926 159 T HN 0.500 nan 8.240 nan 0.000 0.459 160 P HA 0.109 nan 4.420 nan 0.000 0.269 160 P C -1.242 176.126 177.300 0.113 0.000 1.217 160 P CA -0.303 62.833 63.100 0.060 0.000 0.783 160 P CB 0.362 32.072 31.700 0.017 0.000 0.898 161 Y N 2.869 123.172 120.300 0.005 0.000 2.393 161 Y HA 0.493 5.095 4.550 0.086 0.000 0.341 161 Y C -2.091 173.812 175.900 0.004 0.000 0.988 161 Y CA -2.355 55.747 58.100 0.003 0.000 1.078 161 Y CB 0.883 39.338 38.460 -0.008 0.000 1.203 161 Y HN 0.344 nan 8.280 nan 0.000 0.453 162 P HA 0.542 nan 4.420 nan 0.000 0.276 162 P C -1.653 175.496 177.300 -0.252 0.000 1.244 162 P CA -0.462 62.106 63.100 -0.887 0.000 0.801 162 P CB 1.499 32.711 31.700 -0.814 0.000 1.006 163 A N 0.987 123.758 122.820 -0.082 0.000 2.386 163 A HA 0.635 5.006 4.320 0.085 0.000 0.311 163 A C 0.298 177.983 177.584 0.168 0.000 1.068 163 A CA -0.528 51.548 52.037 0.065 0.000 0.743 163 A CB 0.918 20.000 19.000 0.137 0.000 1.258 163 A HN 0.667 nan 8.150 nan 0.000 0.429 164 T N 0.120 114.720 114.554 0.076 0.000 2.860 164 T HA 0.365 4.766 4.350 0.085 0.000 0.299 164 T C -1.852 172.805 174.700 -0.071 0.000 1.045 164 T CA -0.986 61.136 62.100 0.036 0.000 1.071 164 T CB 0.521 69.374 68.868 -0.023 0.000 0.985 164 T HN 0.285 nan 8.240 nan 0.000 0.537 165 P HA -0.139 nan 4.420 nan 0.000 0.216 165 P C 1.936 179.052 177.300 -0.307 0.000 1.150 165 P CA 1.246 63.930 63.100 -0.693 0.000 0.843 165 P CB -0.097 31.172 31.700 -0.717 0.000 0.787 166 S N -0.825 114.764 115.700 -0.185 0.000 2.356 166 S HA -0.168 4.353 4.470 0.085 0.000 0.223 166 S C 2.074 176.625 174.600 -0.082 0.000 1.032 166 S CA 1.050 59.179 58.200 -0.118 0.000 1.005 166 S CB -0.520 62.629 63.200 -0.085 0.000 0.867 166 S HN -0.023 nan 8.310 nan 0.000 0.449 167 R N 0.449 120.915 120.500 -0.057 0.000 2.075 167 R HA 0.048 4.439 4.340 0.085 0.000 0.232 167 R C 2.709 179.001 176.300 -0.014 0.000 1.126 167 R CA 1.208 57.289 56.100 -0.030 0.000 0.963 167 R CB -0.716 29.575 30.300 -0.014 0.000 0.858 167 R HN 0.546 nan 8.270 nan 0.000 0.435 168 A N 1.103 123.935 122.820 0.021 0.000 1.902 168 A HA -0.127 4.244 4.320 0.085 0.000 0.217 168 A C 2.324 179.919 177.584 0.018 0.000 1.181 168 A CA 1.771 53.853 52.037 0.076 0.000 0.623 168 A CB -0.522 18.631 19.000 0.254 0.000 0.818 168 A HN 0.411 nan 8.150 nan 0.000 0.443 169 A N -0.793 122.006 122.820 -0.035 0.000 1.873 169 A HA -0.033 4.338 4.320 0.085 0.000 0.215 169 A C 2.447 179.998 177.584 -0.055 0.000 1.186 169 A CA 1.943 53.952 52.037 -0.048 0.000 0.616 169 A CB -0.903 18.050 19.000 -0.079 0.000 0.823 169 A HN 0.432 nan 8.150 nan 0.000 0.442 170 S N -0.426 115.236 115.700 -0.062 0.000 2.370 170 S HA -0.160 4.361 4.470 0.085 0.000 0.226 170 S C 2.358 176.896 174.600 -0.104 0.000 1.033 170 S CA 1.601 59.756 58.200 -0.074 0.000 1.011 170 S CB -0.344 62.816 63.200 -0.066 0.000 0.852 170 S HN 0.686 nan 8.310 nan 0.000 0.457 171 S N 0.914 116.557 115.700 -0.094 0.000 2.368 171 S HA -0.030 4.491 4.470 0.085 0.000 0.224 171 S C 1.971 176.481 174.600 -0.150 0.000 1.029 171 S CA 1.080 59.201 58.200 -0.132 0.000 0.988 171 S CB -0.356 62.797 63.200 -0.078 0.000 0.838 171 S HN 0.436 nan 8.310 nan 0.000 0.462 172 M N 1.308 120.858 119.600 -0.083 0.000 2.117 172 M HA -0.092 4.439 4.480 0.085 0.000 0.262 172 M C 1.699 177.946 176.300 -0.089 0.000 1.065 172 M CA 1.842 57.101 55.300 -0.068 0.000 1.114 172 M CB -0.984 31.607 32.600 -0.015 0.000 1.361 172 M HN 0.385 nan 8.290 nan 0.000 0.408 173 E N -0.320 119.825 120.200 -0.091 0.000 2.106 173 E HA -0.222 4.179 4.350 0.085 0.000 0.192 173 E C 2.133 178.646 176.600 -0.145 0.000 0.984 173 E CA 1.356 57.704 56.400 -0.086 0.000 0.806 173 E CB -0.252 29.407 29.700 -0.069 0.000 0.750 173 E HN 0.521 nan 8.360 nan 0.000 0.458 174 R N 0.662 121.014 120.500 -0.247 0.000 2.073 174 R HA -0.121 4.270 4.340 0.085 0.000 0.234 174 R C 2.272 178.225 176.300 -0.578 0.000 1.134 174 R CA 1.738 57.554 56.100 -0.473 0.000 0.952 174 R CB -0.147 29.772 30.300 -0.636 0.000 0.850 174 R HN -0.011 nan 8.270 nan 0.000 0.433 175 S N 0.369 115.820 115.700 -0.415 0.000 2.383 175 S HA -0.128 4.393 4.470 0.085 0.000 0.229 175 S C 1.826 176.416 174.600 -0.017 0.000 1.030 175 S CA 1.419 59.495 58.200 -0.205 0.000 1.002 175 S CB -0.075 63.047 63.200 -0.130 0.000 0.829 175 S HN 0.317 nan 8.310 nan 0.000 0.467 176 M N 0.915 120.500 119.600 -0.026 0.000 2.254 176 M HA 0.060 4.592 4.480 0.085 0.000 0.265 176 M C 1.993 178.360 176.300 0.112 0.000 1.066 176 M CA 1.162 56.498 55.300 0.061 0.000 1.123 176 M CB -1.139 31.489 32.600 0.047 0.000 1.388 176 M HN 0.251 nan 8.290 nan 0.000 0.425 177 R N -0.988 119.554 120.500 0.070 0.000 2.092 177 R HA -0.171 4.220 4.340 0.085 0.000 0.231 177 R C 2.045 178.546 176.300 0.335 0.000 1.119 177 R CA 1.273 57.466 56.100 0.155 0.000 0.970 177 R CB -0.227 30.135 30.300 0.103 0.000 0.864 177 R HN 0.377 nan 8.270 nan 0.000 0.440 178 W N 0.448 121.814 121.300 0.111 0.000 2.425 178 W HA 0.084 4.795 4.660 0.085 0.000 0.277 178 W C 2.287 178.905 176.519 0.165 0.000 1.231 178 W CA 0.372 57.810 57.345 0.155 0.000 1.248 178 W CB -0.758 28.807 29.460 0.176 0.000 1.117 178 W HN 0.161 nan 8.180 nan 0.000 0.568 179 A N 0.324 123.363 122.820 0.366 0.000 1.898 179 A HA -0.204 4.167 4.320 0.085 0.000 0.216 179 A C 2.043 179.850 177.584 0.371 0.000 1.181 179 A CA 2.163 54.402 52.037 0.336 0.000 0.620 179 A CB -0.593 18.571 19.000 0.273 0.000 0.819 179 A HN 0.105 nan 8.150 nan 0.000 0.442 180 K N 0.207 120.774 120.400 0.279 0.000 2.057 180 K HA -0.066 4.305 4.320 0.085 0.000 0.206 180 K C 2.061 178.763 176.600 0.171 0.000 1.050 180 K CA 1.646 58.048 56.287 0.191 0.000 0.935 180 K CB -0.352 32.236 32.500 0.145 0.000 0.715 180 K HN 0.437 nan 8.250 nan 0.000 0.439 181 R N -0.127 120.493 120.500 0.200 0.000 2.096 181 R HA -0.039 4.352 4.340 0.085 0.000 0.235 181 R C 2.387 178.775 176.300 0.147 0.000 1.127 181 R CA 1.579 57.772 56.100 0.155 0.000 0.968 181 R CB -0.288 30.106 30.300 0.156 0.000 0.861 181 R HN 0.154 nan 8.270 nan 0.000 0.440 182 S N 0.471 116.292 115.700 0.202 0.000 2.356 182 S HA -0.176 4.345 4.470 0.085 0.000 0.223 182 S C 1.804 176.530 174.600 0.209 0.000 1.032 182 S CA 1.441 59.767 58.200 0.210 0.000 1.005 182 S CB -0.216 63.139 63.200 0.257 0.000 0.867 182 S HN 0.232 nan 8.310 nan 0.000 0.449 183 R N 1.809 122.424 120.500 0.191 0.000 2.083 183 R HA -0.125 4.266 4.340 0.085 0.000 0.237 183 R C 1.483 177.850 176.300 0.112 0.000 1.137 183 R CA 2.039 58.184 56.100 0.076 0.000 0.951 183 R CB -0.705 29.541 30.300 -0.090 0.000 0.851 183 R HN 0.241 nan 8.270 nan 0.000 0.434 184 D N -0.137 120.318 120.400 0.093 0.000 2.144 184 D HA -0.062 4.629 4.640 0.085 0.000 0.200 184 D C 1.729 178.080 176.300 0.085 0.000 0.978 184 D CA 1.574 55.619 54.000 0.075 0.000 0.833 184 D CB -0.403 40.431 40.800 0.057 0.000 0.961 184 D HN 0.405 nan 8.370 nan 0.000 0.470 185 A N 0.484 123.364 122.820 0.099 0.000 1.877 185 A HA -0.170 4.201 4.320 0.085 0.000 0.216 185 A C 2.120 179.763 177.584 0.098 0.000 1.186 185 A CA 1.018 53.100 52.037 0.076 0.000 0.620 185 A CB -1.044 17.997 19.000 0.068 0.000 0.822 185 A HN 0.251 nan 8.150 nan 0.000 0.443 186 F N 1.223 121.176 119.950 0.005 0.000 2.102 186 F HA -0.193 4.384 4.527 0.084 0.000 0.298 186 F C 1.645 177.431 175.800 -0.024 0.000 1.105 186 F CA 2.187 60.187 58.000 -0.001 0.000 1.239 186 F CB -0.123 38.897 39.000 0.034 0.000 0.991 186 F HN 0.231 nan 8.300 nan 0.000 0.474 187 D N -0.583 119.938 120.400 0.203 0.000 2.264 187 D HA -0.099 4.592 4.640 0.085 0.000 0.208 187 D C 2.335 178.619 176.300 -0.027 0.000 0.966 187 D CA 1.105 55.158 54.000 0.088 0.000 0.864 187 D CB -0.182 40.684 40.800 0.109 0.000 0.933 187 D HN 0.238 nan 8.370 nan 0.000 0.499 188 S N -0.235 115.446 115.700 -0.031 0.000 2.489 188 S HA -0.023 4.498 4.470 0.085 0.000 0.228 188 S C 1.165 175.701 174.600 -0.106 0.000 0.995 188 S CA -0.029 58.139 58.200 -0.053 0.000 0.934 188 S CB 0.344 63.524 63.200 -0.034 0.000 0.771 188 S HN 0.129 nan 8.310 nan 0.000 0.522 189 R N 1.596 121.990 120.500 -0.176 0.000 2.287 189 R HA 0.327 4.718 4.340 0.085 0.000 0.327 189 R C 1.280 177.417 176.300 -0.270 0.000 1.109 189 R CA 0.025 55.970 56.100 -0.259 0.000 1.013 189 R CB 0.046 30.119 30.300 -0.378 0.000 1.126 189 R HN 0.194 nan 8.270 nan 0.000 0.503 190 K N 3.009 123.301 120.400 -0.179 0.000 2.032 190 K HA -0.231 4.140 4.320 0.085 0.000 0.209 190 K C 1.562 178.076 176.600 -0.145 0.000 1.048 190 K CA 1.946 58.151 56.287 -0.136 0.000 0.927 190 K CB -0.611 31.840 32.500 -0.082 0.000 0.712 190 K HN 0.792 nan 8.250 nan 0.000 0.441 191 E N -0.131 119.987 120.200 -0.136 0.000 2.110 191 E HA -0.270 4.131 4.350 0.085 0.000 0.193 191 E C 2.373 178.914 176.600 -0.098 0.000 0.988 191 E CA 1.508 57.866 56.400 -0.071 0.000 0.804 191 E CB -0.014 29.690 29.700 0.007 0.000 0.745 191 E HN 0.740 nan 8.360 nan 0.000 0.458 192 Q N -0.068 119.591 119.800 -0.234 0.000 2.046 192 Q HA -0.120 4.271 4.340 0.085 0.000 0.200 192 Q C 2.085 177.766 176.000 -0.531 0.000 0.975 192 Q CA 1.425 57.030 55.803 -0.329 0.000 0.836 192 Q CB -0.179 28.256 28.738 -0.506 0.000 0.896 192 Q HN 0.320 nan 8.270 nan 0.000 0.428 193 A N 0.571 123.031 122.820 -0.601 0.000 1.972 193 A HA -0.207 4.164 4.320 0.085 0.000 0.219 193 A C 1.656 179.196 177.584 -0.073 0.000 1.169 193 A CA 1.673 53.464 52.037 -0.410 0.000 0.635 193 A CB -0.370 18.502 19.000 -0.212 0.000 0.810 193 A HN 0.519 nan 8.150 nan 0.000 0.446 194 E N -0.868 119.291 120.200 -0.070 0.000 2.318 194 E HA -0.002 4.399 4.350 0.085 0.000 0.193 194 E C 0.998 177.621 176.600 0.039 0.000 0.998 194 E CA 0.508 56.911 56.400 0.005 0.000 0.859 194 E CB 0.088 29.784 29.700 -0.008 0.000 0.812 194 E HN 0.572 nan 8.360 nan 0.000 0.492 195 N N -0.492 118.227 118.700 0.032 0.000 2.257 195 N HA 0.142 4.933 4.740 0.085 0.000 0.200 195 N C -0.087 175.494 175.510 0.118 0.000 1.163 195 N CA 0.153 53.242 53.050 0.065 0.000 0.891 195 N CB 1.309 39.819 38.487 0.039 0.000 1.067 195 N HN -0.044 nan 8.380 nan 0.000 0.497 196 A N 0.454 123.368 122.820 0.158 0.000 2.344 196 A HA 0.877 5.248 4.320 0.085 0.000 0.307 196 A C -0.778 177.047 177.584 0.400 0.000 1.151 196 A CA -0.471 51.723 52.037 0.261 0.000 0.842 196 A CB 1.378 20.553 19.000 0.291 0.000 1.350 196 A HN 0.093 nan 8.150 nan 0.000 0.459 197 A N -0.302 122.694 122.820 0.294 0.000 2.354 197 A HA 0.765 5.136 4.320 0.085 0.000 0.321 197 A C -1.032 176.473 177.584 -0.131 0.000 1.125 197 A CA -0.529 51.544 52.037 0.060 0.000 0.799 197 A CB 1.122 20.035 19.000 -0.144 0.000 1.293 197 A HN 1.214 nan 8.150 nan 0.000 0.452 198 L N 1.362 122.359 121.223 -0.377 0.000 2.381 198 L HA 0.696 5.087 4.340 0.085 0.000 0.274 198 L C -1.874 175.042 176.870 0.076 0.000 0.988 198 L CA -0.572 54.024 54.840 -0.406 0.000 0.824 198 L CB 1.265 42.730 42.059 -0.989 0.000 1.263 198 L HN 0.648 nan 8.230 nan 0.000 0.410 199 F N 2.168 121.956 119.950 -0.270 0.000 2.480 199 F HA 0.661 5.240 4.527 0.087 0.000 0.329 199 F C 0.896 176.313 175.800 -0.637 0.000 1.091 199 F CA -1.151 56.626 58.000 -0.372 0.000 0.972 199 F CB 1.996 40.863 39.000 -0.221 0.000 1.150 199 F HN 0.418 nan 8.300 nan 0.000 0.467 200 G N 2.348 110.509 108.800 -1.065 0.000 2.462 200 G HA2 0.664 4.675 3.960 0.085 0.000 0.319 200 G HA3 0.664 4.675 3.960 0.085 0.000 0.319 200 G C -1.062 173.530 174.900 -0.513 0.000 1.171 200 G CA -0.623 43.677 45.100 -1.334 0.000 0.920 200 G HN 0.515 nan 8.290 nan 0.000 0.499 201 I N 0.544 120.925 120.570 -0.315 0.000 2.410 201 I HA 0.223 4.445 4.170 0.085 0.000 0.286 201 I C 0.118 176.176 176.117 -0.098 0.000 1.009 201 I CA -0.525 60.680 61.300 -0.158 0.000 1.111 201 I CB 2.045 39.969 38.000 -0.127 0.000 1.262 201 I HN 0.406 nan 8.210 nan 0.000 0.443 202 Q N 6.040 125.804 119.800 -0.060 0.000 2.304 202 Q HA 0.192 4.583 4.340 0.085 0.000 0.260 202 Q C -0.723 175.259 176.000 -0.031 0.000 0.965 202 Q CA -0.212 55.575 55.803 -0.026 0.000 0.898 202 Q CB 1.056 29.784 28.738 -0.017 0.000 1.196 202 Q HN 0.523 nan 8.270 nan 0.000 0.402 203 Q N 1.330 121.122 119.800 -0.013 0.000 2.633 203 Q HA 0.531 4.922 4.340 0.085 0.000 0.208 203 Q C 0.302 176.326 176.000 0.041 0.000 1.010 203 Q CA 0.059 55.864 55.803 0.002 0.000 0.982 203 Q CB 1.369 30.097 28.738 -0.017 0.000 1.334 203 Q HN 0.975 nan 8.270 nan 0.000 0.508 204 G N -0.372 108.469 108.800 0.069 0.000 2.164 204 G HA2 -0.208 3.803 3.960 0.085 0.000 0.154 204 G HA3 -0.208 3.803 3.960 0.085 0.000 0.154 204 G C 0.357 175.378 174.900 0.202 0.000 1.014 204 G CA 0.949 46.132 45.100 0.138 0.000 0.683 204 G HN 0.774 nan 8.290 nan 0.000 0.500 205 S N -2.253 113.524 115.700 0.129 0.000 3.938 205 S HA -0.365 4.156 4.470 0.085 0.000 0.624 205 S C 1.828 176.413 174.600 -0.025 0.000 2.186 205 S CA 3.438 61.687 58.200 0.082 0.000 4.144 205 S CB -1.235 62.069 63.200 0.173 0.000 0.230 205 S HN 2.031 nan 8.310 nan 0.000 0.755 206 V N -0.138 119.598 119.914 -0.298 0.000 3.444 206 V HA 0.555 4.726 4.120 0.085 0.000 0.308 206 V C 0.208 176.163 176.094 -0.231 0.000 1.371 206 V CA 0.246 62.387 62.300 -0.265 0.000 1.141 206 V CB -0.753 30.893 31.823 -0.294 0.000 1.037 206 V HN 0.460 nan 8.190 nan 0.000 0.433 207 F N 1.115 121.173 119.950 0.180 0.000 2.405 207 F HA 0.504 5.082 4.527 0.086 0.000 0.355 207 F C 1.560 177.350 175.800 -0.017 0.000 1.121 207 F CA -0.768 57.275 58.000 0.071 0.000 1.112 207 F CB 1.507 40.522 39.000 0.025 0.000 1.126 207 F HN 0.089 nan 8.300 nan 0.000 0.481 208 E N 2.684 122.773 120.200 -0.186 0.000 2.058 208 E HA -0.274 4.127 4.350 0.085 0.000 0.194 208 E C 1.873 178.359 176.600 -0.191 0.000 0.997 208 E CA 1.913 57.952 56.400 -0.601 0.000 0.801 208 E CB 0.073 29.121 29.700 -1.088 0.000 0.746 208 E HN 0.750 nan 8.360 nan 0.000 0.450 209 N N 0.660 119.303 118.700 -0.095 0.000 2.166 209 N HA -0.184 4.607 4.740 0.085 0.000 0.186 209 N C 1.796 177.304 175.510 -0.003 0.000 1.019 209 N CA 0.961 53.980 53.050 -0.051 0.000 0.856 209 N CB -0.486 37.973 38.487 -0.048 0.000 0.993 209 N HN 0.184 nan 8.380 nan 0.000 0.426 210 L N 1.005 122.258 121.223 0.049 0.000 2.072 210 L HA 0.090 4.481 4.340 0.085 0.000 0.205 210 L C 2.577 179.491 176.870 0.073 0.000 1.079 210 L CA 1.124 56.003 54.840 0.065 0.000 0.752 210 L CB -0.761 41.369 42.059 0.119 0.000 0.906 210 L HN 0.111 nan 8.230 nan 0.000 0.436 211 R N -0.654 119.910 120.500 0.108 0.000 2.105 211 R HA -0.200 4.191 4.340 0.085 0.000 0.239 211 R C 2.154 178.492 176.300 0.064 0.000 1.135 211 R CA 1.209 57.377 56.100 0.112 0.000 0.967 211 R CB -0.477 29.960 30.300 0.229 0.000 0.861 211 R HN 0.390 nan 8.270 nan 0.000 0.442 212 Q N 1.167 120.988 119.800 0.035 0.000 2.046 212 Q HA -0.137 4.254 4.340 0.085 0.000 0.200 212 Q C 1.984 177.989 176.000 0.008 0.000 0.975 212 Q CA 1.697 57.506 55.803 0.010 0.000 0.836 212 Q CB -0.069 28.660 28.738 -0.015 0.000 0.896 212 Q HN 0.368 nan 8.270 nan 0.000 0.428 213 Q N -0.741 119.064 119.800 0.009 0.000 2.096 213 Q HA -0.162 4.229 4.340 0.085 0.000 0.204 213 Q C 2.217 178.229 176.000 0.021 0.000 0.982 213 Q CA 1.533 57.343 55.803 0.010 0.000 0.850 213 Q CB -0.294 28.447 28.738 0.005 0.000 0.901 213 Q HN 0.364 nan 8.270 nan 0.000 0.422 214 S N 0.116 115.831 115.700 0.026 0.000 2.355 214 S HA -0.147 4.374 4.470 0.085 0.000 0.222 214 S C 2.026 176.649 174.600 0.038 0.000 1.031 214 S CA 1.031 59.251 58.200 0.032 0.000 0.993 214 S CB -0.236 62.981 63.200 0.029 0.000 0.859 214 S HN 0.456 nan 8.310 nan 0.000 0.453 215 A N 1.594 124.424 122.820 0.018 0.000 1.883 215 A HA -0.164 4.207 4.320 0.085 0.000 0.217 215 A C 1.890 179.473 177.584 -0.001 0.000 1.186 215 A CA 2.129 54.158 52.037 -0.012 0.000 0.624 215 A CB -1.068 17.904 19.000 -0.047 0.000 0.822 215 A HN 0.570 nan 8.150 nan 0.000 0.444 216 D N -0.074 120.331 120.400 0.008 0.000 2.117 216 D HA -0.046 4.645 4.640 0.085 0.000 0.197 216 D C 2.243 178.573 176.300 0.051 0.000 0.987 216 D CA 1.540 55.550 54.000 0.017 0.000 0.829 216 D CB -0.483 40.324 40.800 0.012 0.000 0.961 216 D HN 0.437 nan 8.370 nan 0.000 0.460 217 A N 0.530 123.390 122.820 0.066 0.000 1.902 217 A HA -0.139 4.232 4.320 0.085 0.000 0.217 217 A C 2.090 179.775 177.584 0.168 0.000 1.181 217 A CA 0.933 53.027 52.037 0.095 0.000 0.623 217 A CB -0.574 18.474 19.000 0.081 0.000 0.818 217 A HN 0.139 nan 8.150 nan 0.000 0.443 218 L N -0.497 120.853 121.223 0.212 0.000 2.056 218 L HA -0.042 4.349 4.340 0.085 0.000 0.207 218 L C 2.922 180.082 176.870 0.484 0.000 1.078 218 L CA 1.821 56.913 54.840 0.420 0.000 0.749 218 L CB -1.212 41.088 42.059 0.402 0.000 0.901 218 L HN 0.403 nan 8.230 nan 0.000 0.433 219 A N -0.606 122.369 122.820 0.258 0.000 1.969 219 A HA -0.145 4.226 4.320 0.085 0.000 0.218 219 A C 2.343 180.006 177.584 0.131 0.000 1.169 219 A CA 1.726 53.869 52.037 0.176 0.000 0.635 219 A CB -0.711 18.288 19.000 -0.002 0.000 0.810 219 A HN 0.459 nan 8.150 nan 0.000 0.445 220 E N 0.269 120.531 120.200 0.103 0.000 2.072 220 E HA -0.111 4.290 4.350 0.085 0.000 0.191 220 E C 1.817 178.439 176.600 0.037 0.000 0.985 220 E CA 1.393 57.829 56.400 0.060 0.000 0.801 220 E CB -0.796 28.936 29.700 0.053 0.000 0.750 220 E HN 0.713 nan 8.360 nan 0.000 0.452 221 I N -0.491 120.109 120.570 0.050 0.000 2.202 221 I HA 0.193 4.414 4.170 0.085 0.000 0.242 221 I C 1.525 177.508 176.117 -0.224 0.000 1.091 221 I CA 1.098 62.353 61.300 -0.075 0.000 1.368 221 I CB -0.272 37.691 38.000 -0.062 0.000 1.058 221 I HN 0.504 nan 8.210 nan 0.000 0.410 222 G N 0.894 109.598 108.800 -0.160 0.000 3.409 222 G HA2 -0.162 3.849 3.960 0.085 0.000 0.686 222 G HA3 -0.162 3.849 3.960 0.085 0.000 0.686 222 G C -0.804 173.771 174.900 -0.541 0.000 1.017 222 G CA -0.838 44.173 45.100 -0.147 0.000 0.854 222 G HN 0.079 nan 8.290 nan 0.000 0.508 223 F N 0.453 120.326 119.950 -0.128 0.000 2.640 223 F HA 0.553 5.131 4.527 0.085 0.000 0.324 223 F C 1.054 176.587 175.800 -0.444 0.000 1.077 223 F CA -0.970 56.783 58.000 -0.412 0.000 0.965 223 F CB 1.480 40.047 39.000 -0.722 0.000 1.351 223 F HN 0.328 nan 8.300 nan 0.000 0.487 224 D N 0.207 120.418 120.400 -0.315 0.000 2.289 224 D HA 0.199 4.890 4.640 0.085 0.000 0.207 224 D C 0.593 176.483 176.300 -0.682 0.000 0.966 224 D CA 0.846 54.532 54.000 -0.524 0.000 0.868 224 D CB 0.443 40.686 40.800 -0.929 0.000 0.943 224 D HN 0.592 nan 8.370 nan 0.000 0.514 225 G N -0.731 107.394 108.800 -1.124 0.000 2.677 225 G HA2 0.476 4.487 3.960 0.085 0.000 0.291 225 G HA3 0.476 4.487 3.960 0.085 0.000 0.291 225 G C -2.068 171.976 174.900 -1.426 0.000 1.435 225 G CA -0.719 43.348 45.100 -1.722 0.000 0.826 225 G HN -0.068 nan 8.290 nan 0.000 0.491 226 Y N 0.005 119.955 120.300 -0.584 0.000 2.346 226 Y HA 0.659 5.261 4.550 0.085 0.000 0.332 226 Y C 0.518 176.347 175.900 -0.120 0.000 0.985 226 Y CA -0.623 57.324 58.100 -0.254 0.000 1.112 226 Y CB 2.324 40.708 38.460 -0.127 0.000 1.170 226 Y HN 0.824 nan 8.280 nan 0.000 0.447 227 A N 2.363 125.189 122.820 0.011 0.000 2.304 227 A HA 0.711 5.082 4.320 0.085 0.000 0.301 227 A C -0.818 176.705 177.584 -0.102 0.000 1.132 227 A CA -0.680 51.325 52.037 -0.054 0.000 0.819 227 A CB 0.625 19.520 19.000 -0.176 0.000 1.094 227 A HN 0.539 nan 8.150 nan 0.000 0.492 228 V N 2.923 122.746 119.914 -0.152 0.000 2.339 228 V HA 0.465 4.636 4.120 0.085 0.000 0.261 228 V C 1.089 177.077 176.094 -0.178 0.000 1.058 228 V CA 0.222 62.441 62.300 -0.136 0.000 0.897 228 V CB 0.333 32.085 31.823 -0.117 0.000 1.052 228 V HN 1.066 nan 8.190 nan 0.000 0.480 229 G N 2.723 111.437 108.800 -0.143 0.000 2.522 229 G HA2 0.534 4.545 3.960 0.085 0.000 0.304 229 G HA3 0.534 4.545 3.960 0.085 0.000 0.304 229 G C 0.919 175.770 174.900 -0.082 0.000 1.210 229 G CA 0.044 45.063 45.100 -0.134 0.000 0.960 229 G HN 1.513 nan 8.290 nan 0.000 0.497 230 G N -1.742 107.026 108.800 -0.053 0.000 2.148 230 G HA2 -0.219 3.792 3.960 0.085 0.000 0.254 230 G HA3 -0.219 3.792 3.960 0.085 0.000 0.254 230 G C 0.243 175.125 174.900 -0.029 0.000 0.981 230 G CA 0.757 45.851 45.100 -0.010 0.000 0.670 230 G HN 0.615 nan 8.290 nan 0.000 0.528 231 L N -1.584 119.600 121.223 -0.065 0.000 2.260 231 L HA 0.743 5.134 4.340 0.085 0.000 0.265 231 L C 1.611 178.437 176.870 -0.074 0.000 1.015 231 L CA -0.767 54.020 54.840 -0.089 0.000 0.826 231 L CB 1.453 43.457 42.059 -0.091 0.000 1.373 231 L HN 1.146 nan 8.230 nan 0.000 0.450 232 A N 0.496 123.265 122.820 -0.085 0.000 2.687 232 A HA -0.123 4.248 4.320 0.085 0.000 0.299 232 A C 0.308 177.883 177.584 -0.015 0.000 1.497 232 A CA 0.911 52.916 52.037 -0.053 0.000 0.751 232 A CB -2.121 16.866 19.000 -0.021 0.000 1.048 232 A HN 0.949 nan 8.150 nan 0.000 0.464 233 V N -4.498 115.394 119.914 -0.036 0.000 2.991 233 V HA 0.700 4.872 4.120 0.085 0.000 0.355 233 V C 1.288 177.405 176.094 0.038 0.000 1.384 233 V CA 0.509 62.837 62.300 0.047 0.000 1.171 233 V CB -0.236 31.649 31.823 0.104 0.000 1.190 233 V HN 2.360 nan 8.190 nan 0.000 0.540 234 G N 1.457 110.233 108.800 -0.040 0.000 2.260 234 G HA2 -0.216 3.796 3.960 0.085 0.000 0.179 234 G HA3 -0.216 3.796 3.960 0.085 0.000 0.179 234 G C 0.865 175.674 174.900 -0.152 0.000 1.002 234 G CA 0.309 45.413 45.100 0.005 0.000 0.677 234 G HN 0.652 nan 8.290 nan 0.000 0.486 235 E N 1.698 121.559 120.200 -0.565 0.000 2.285 235 E HA 0.358 4.759 4.350 0.085 0.000 0.194 235 E C 1.237 177.652 176.600 -0.308 0.000 0.997 235 E CA 1.478 57.410 56.400 -0.780 0.000 0.845 235 E CB -0.271 28.778 29.700 -1.086 0.000 0.782 235 E HN 2.010 nan 8.360 nan 0.000 0.491 236 G N 1.512 110.183 108.800 -0.216 0.000 2.705 236 G HA2 -0.294 3.717 3.960 0.085 0.000 0.686 236 G HA3 -0.294 3.717 3.960 0.085 0.000 0.686 236 G C 0.101 174.865 174.900 -0.227 0.000 1.285 236 G CA 0.081 45.082 45.100 -0.165 0.000 0.800 236 G HN 0.219 nan 8.290 nan 0.000 0.611 237 Q N -0.210 119.431 119.800 -0.265 0.000 2.050 237 Q HA -0.154 4.238 4.340 0.085 0.000 0.202 237 Q C 2.084 177.775 176.000 -0.515 0.000 0.980 237 Q CA 2.225 57.732 55.803 -0.494 0.000 0.840 237 Q CB -0.108 28.305 28.738 -0.541 0.000 0.898 237 Q HN 0.685 nan 8.270 nan 0.000 0.424 238 D N 0.229 120.460 120.400 -0.282 0.000 2.104 238 D HA -0.201 4.491 4.640 0.085 0.000 0.194 238 D C 1.743 177.989 176.300 -0.090 0.000 0.994 238 D CA 1.518 55.431 54.000 -0.145 0.000 0.830 238 D CB -0.193 40.563 40.800 -0.073 0.000 0.959 238 D HN 0.314 nan 8.370 nan 0.000 0.452 239 E N 0.225 120.353 120.200 -0.120 0.000 2.072 239 E HA -0.101 4.300 4.350 0.085 0.000 0.191 239 E C 2.083 178.606 176.600 -0.128 0.000 0.985 239 E CA 0.599 56.936 56.400 -0.106 0.000 0.801 239 E CB -0.234 29.386 29.700 -0.133 0.000 0.750 239 E HN 0.222 nan 8.360 nan 0.000 0.452 240 M N -0.672 118.826 119.600 -0.170 0.000 2.080 240 M HA -0.165 4.366 4.480 0.085 0.000 0.260 240 M C 1.328 177.654 176.300 0.043 0.000 1.068 240 M CA 1.534 56.765 55.300 -0.115 0.000 1.109 240 M CB -0.150 32.367 32.600 -0.139 0.000 1.342 240 M HN 0.135 nan 8.290 nan 0.000 0.405 241 F N 0.347 120.238 119.950 -0.097 0.000 2.171 241 F HA -0.133 4.444 4.527 0.084 0.000 0.300 241 F C 2.663 178.380 175.800 -0.138 0.000 1.090 241 F CA 1.457 59.405 58.000 -0.086 0.000 1.293 241 F CB -1.393 37.583 39.000 -0.040 0.000 1.013 241 F HN 0.287 nan 8.300 nan 0.000 0.486 242 R N 0.376 120.904 120.500 0.047 0.000 2.091 242 R HA -0.134 4.257 4.340 0.085 0.000 0.238 242 R C 2.075 178.160 176.300 -0.359 0.000 1.136 242 R CA 1.638 57.702 56.100 -0.061 0.000 0.959 242 R CB -0.385 29.914 30.300 -0.001 0.000 0.856 242 R HN 0.142 nan 8.270 nan 0.000 0.437 243 V N 1.257 120.910 119.914 -0.435 0.000 2.379 243 V HA -0.201 3.970 4.120 0.085 0.000 0.245 243 V C 2.337 177.922 176.094 -0.848 0.000 1.044 243 V CA 1.449 63.212 62.300 -0.894 0.000 1.036 243 V CB -0.337 31.246 31.823 -0.401 0.000 0.664 243 V HN 0.328 nan 8.190 nan 0.000 0.453 244 L N -0.203 120.798 121.223 -0.370 0.000 2.083 244 L HA -0.187 4.204 4.340 0.085 0.000 0.209 244 L C 2.374 179.099 176.870 -0.241 0.000 1.083 244 L CA 1.396 56.094 54.840 -0.237 0.000 0.752 244 L CB -0.788 41.227 42.059 -0.074 0.000 0.899 244 L HN 0.335 nan 8.230 nan 0.000 0.433 245 D N 0.374 120.626 120.400 -0.248 0.000 2.133 245 D HA -0.216 4.476 4.640 0.085 0.000 0.195 245 D C 1.907 178.173 176.300 -0.057 0.000 0.997 245 D CA 1.728 55.652 54.000 -0.126 0.000 0.840 245 D CB -0.146 40.616 40.800 -0.063 0.000 0.947 245 D HN 0.493 nan 8.370 nan 0.000 0.452 246 F N -0.479 119.468 119.950 -0.004 0.000 2.619 246 F HA 0.338 4.916 4.527 0.086 0.000 0.293 246 F C 2.141 177.923 175.800 -0.029 0.000 1.119 246 F CA -0.050 57.943 58.000 -0.012 0.000 1.445 246 F CB -0.529 38.470 39.000 -0.002 0.000 1.119 246 F HN -0.247 nan 8.300 nan 0.000 0.573 247 S N 0.972 116.663 115.700 -0.014 0.000 2.388 247 S HA -0.029 4.492 4.470 0.085 0.000 0.223 247 S C 2.165 176.731 174.600 -0.056 0.000 1.034 247 S CA 1.048 59.278 58.200 0.051 0.000 0.963 247 S CB -0.447 62.723 63.200 -0.049 0.000 0.827 247 S HN 0.242 nan 8.310 nan 0.000 0.481 248 V N 2.838 122.682 119.914 -0.117 0.000 2.343 248 V HA -0.083 4.088 4.120 0.085 0.000 0.247 248 V C -0.939 175.035 176.094 -0.200 0.000 1.051 248 V CA 1.555 63.733 62.300 -0.203 0.000 1.036 248 V CB -1.903 29.822 31.823 -0.164 0.000 0.654 248 V HN 0.320 nan 8.190 nan 0.000 0.451 249 P HA -0.109 nan 4.420 nan 0.000 0.223 249 P C 1.696 178.960 177.300 -0.060 0.000 1.144 249 P CA 1.331 64.402 63.100 -0.048 0.000 0.783 249 P CB -0.144 31.559 31.700 0.005 0.000 0.771 250 M N -1.964 117.596 119.600 -0.067 0.000 2.419 250 M HA -0.011 4.520 4.480 0.085 0.000 0.264 250 M C 0.736 176.949 176.300 -0.144 0.000 1.082 250 M CA 0.809 56.067 55.300 -0.069 0.000 1.119 250 M CB -0.419 32.163 32.600 -0.030 0.000 1.398 250 M HN -0.095 nan 8.290 nan 0.000 0.453 251 L N 0.661 121.746 121.223 -0.230 0.000 2.418 251 L HA 0.285 4.676 4.340 0.085 0.000 0.265 251 L C -2.062 174.650 176.870 -0.262 0.000 1.143 251 L CA -2.218 52.406 54.840 -0.359 0.000 0.809 251 L CB -0.224 41.549 42.059 -0.477 0.000 1.124 251 L HN -0.235 nan 8.230 nan 0.000 0.456 252 P HA -0.056 nan 4.420 nan 0.000 0.261 252 P C -0.079 177.310 177.300 0.148 0.000 1.183 252 P CA 0.283 63.323 63.100 -0.100 0.000 0.761 252 P CB 0.521 32.135 31.700 -0.144 0.000 0.785 253 D N 2.665 123.150 120.400 0.143 0.000 2.178 253 D HA -0.186 4.505 4.640 0.085 0.000 0.202 253 D C 1.049 177.458 176.300 0.181 0.000 0.974 253 D CA 1.139 55.262 54.000 0.205 0.000 0.841 253 D CB -0.028 40.841 40.800 0.115 0.000 0.953 253 D HN 0.385 nan 8.370 nan 0.000 0.478 254 D N -0.766 119.733 120.400 0.165 0.000 2.319 254 D HA -0.020 4.671 4.640 0.085 0.000 0.230 254 D C -0.105 176.410 176.300 0.358 0.000 1.094 254 D CA 0.173 54.288 54.000 0.190 0.000 0.856 254 D CB 0.054 40.929 40.800 0.125 0.000 0.915 254 D HN 0.015 nan 8.370 nan 0.000 0.517 255 K N 0.732 121.316 120.400 0.308 0.000 2.328 255 K HA 0.478 4.849 4.320 0.085 0.000 0.246 255 K C -2.813 173.663 176.600 -0.206 0.000 0.955 255 K CA -2.353 54.072 56.287 0.229 0.000 0.817 255 K CB 1.615 34.289 32.500 0.291 0.000 1.208 255 K HN -0.104 nan 8.250 nan 0.000 0.432 256 P HA 0.129 nan 4.420 nan 0.000 0.269 256 P C -0.917 176.188 177.300 -0.324 0.000 1.215 256 P CA 0.092 62.685 63.100 -0.844 0.000 0.780 256 P CB 0.254 31.527 31.700 -0.711 0.000 0.898 257 H N 0.734 119.715 119.070 -0.149 0.000 2.539 257 H HA 0.347 4.954 4.556 0.085 0.000 0.332 257 H C -0.958 174.354 175.328 -0.026 0.000 1.031 257 H CA -0.643 55.370 56.048 -0.059 0.000 1.206 257 H CB 0.892 30.627 29.762 -0.044 0.000 1.446 257 H HN 0.397 nan 8.280 nan 0.000 0.496 258 Y N 4.311 124.602 120.300 -0.014 0.000 2.328 258 Y HA 0.294 4.895 4.550 0.086 0.000 0.333 258 Y C -1.677 174.145 175.900 -0.131 0.000 0.958 258 Y CA -1.879 56.169 58.100 -0.086 0.000 1.167 258 Y CB 0.785 39.290 38.460 0.075 0.000 1.151 258 Y HN 0.504 nan 8.280 nan 0.000 0.470 259 L N 7.742 128.861 121.223 -0.173 0.000 2.259 259 L HA 0.448 4.839 4.340 0.085 0.000 0.288 259 L C -0.653 176.053 176.870 -0.272 0.000 1.051 259 L CA -0.377 54.322 54.840 -0.235 0.000 0.824 259 L CB 0.293 42.281 42.059 -0.118 0.000 1.206 259 L HN 0.701 nan 8.230 nan 0.000 0.429 260 M N 5.288 124.580 119.600 -0.513 0.000 2.217 260 M HA 0.272 4.803 4.480 0.085 0.000 0.352 260 M C 1.342 177.519 176.300 -0.205 0.000 1.376 260 M CA 0.674 55.670 55.300 -0.507 0.000 1.107 260 M CB 0.369 32.627 32.600 -0.571 0.000 1.723 260 M HN 0.889 nan 8.290 nan 0.000 0.461 261 G N 2.544 111.293 108.800 -0.085 0.000 2.148 261 G HA2 -0.178 3.833 3.960 0.085 0.000 0.254 261 G HA3 -0.178 3.833 3.960 0.085 0.000 0.254 261 G C -0.240 174.703 174.900 0.072 0.000 0.981 261 G CA -0.216 44.850 45.100 -0.056 0.000 0.670 261 G HN 0.577 nan 8.290 nan 0.000 0.528 262 V N -0.102 119.928 119.914 0.193 0.000 2.483 262 V HA 0.947 5.118 4.120 0.085 0.000 0.295 262 V C 0.852 177.197 176.094 0.418 0.000 1.035 262 V CA 0.657 63.128 62.300 0.285 0.000 0.896 262 V CB 1.404 33.431 31.823 0.340 0.000 0.986 262 V HN 1.436 nan 8.190 nan 0.000 0.447 263 G N 3.875 112.861 108.800 0.310 0.000 2.392 263 G HA2 0.238 4.249 3.960 0.085 0.000 0.260 263 G HA3 0.238 4.249 3.960 0.085 0.000 0.260 263 G C -1.220 173.768 174.900 0.146 0.000 1.226 263 G CA -0.933 44.285 45.100 0.196 0.000 0.913 263 G HN 0.529 nan 8.290 nan 0.000 0.483 264 K N 1.054 121.515 120.400 0.102 0.000 2.276 264 K HA 0.282 4.653 4.320 0.085 0.000 0.259 264 K C -1.701 174.828 176.600 -0.119 0.000 1.001 264 K CA -1.079 55.246 56.287 0.063 0.000 0.927 264 K CB 1.292 33.891 32.500 0.164 0.000 0.969 264 K HN 0.018 nan 8.250 nan 0.000 0.490 265 P HA -0.230 nan 4.420 nan 0.000 0.216 265 P C 0.591 177.735 177.300 -0.261 0.000 1.157 265 P CA 1.467 64.280 63.100 -0.479 0.000 0.880 265 P CB 0.171 31.599 31.700 -0.453 0.000 0.791 266 D N -1.410 118.988 120.400 -0.003 0.000 2.219 266 D HA -0.142 4.549 4.640 0.085 0.000 0.205 266 D C 1.387 177.836 176.300 0.249 0.000 0.970 266 D CA 0.944 55.090 54.000 0.243 0.000 0.851 266 D CB -0.488 40.618 40.800 0.511 0.000 0.943 266 D HN 0.032 nan 8.370 nan 0.000 0.488 267 D N -0.173 120.331 120.400 0.173 0.000 2.117 267 D HA -0.103 4.588 4.640 0.085 0.000 0.198 267 D C 2.257 178.681 176.300 0.207 0.000 0.982 267 D CA 0.533 54.691 54.000 0.262 0.000 0.828 267 D CB -0.129 40.760 40.800 0.149 0.000 0.967 267 D HN 0.364 nan 8.370 nan 0.000 0.464 268 I N 0.696 121.205 120.570 -0.101 0.000 2.179 268 I HA -0.241 3.981 4.170 0.085 0.000 0.242 268 I C 2.479 178.486 176.117 -0.183 0.000 1.088 268 I CA 0.688 61.712 61.300 -0.459 0.000 1.357 268 I CB -0.216 37.310 38.000 -0.790 0.000 1.051 268 I HN -0.119 nan 8.210 nan 0.000 0.409 269 V N 1.081 120.931 119.914 -0.106 0.000 2.255 269 V HA -0.265 3.907 4.120 0.085 0.000 0.247 269 V C 2.586 178.756 176.094 0.126 0.000 1.051 269 V CA 2.338 64.667 62.300 0.049 0.000 1.018 269 V CB -1.504 30.283 31.823 -0.059 0.000 0.641 269 V HN 0.598 nan 8.190 nan 0.000 0.445 270 G N -0.739 108.100 108.800 0.066 0.000 2.422 270 G HA2 -0.169 3.842 3.960 0.085 0.000 0.218 270 G HA3 -0.169 3.842 3.960 0.085 0.000 0.218 270 G C 1.723 176.410 174.900 -0.356 0.000 1.146 270 G CA 1.006 45.926 45.100 -0.300 0.000 0.769 270 G HN 0.627 nan 8.290 nan 0.000 0.547 271 A N 0.097 122.925 122.820 0.013 0.000 1.930 271 A HA 0.153 4.524 4.320 0.085 0.000 0.217 271 A C 2.564 180.286 177.584 0.230 0.000 1.175 271 A CA 1.574 53.715 52.037 0.174 0.000 0.627 271 A CB -0.458 18.844 19.000 0.504 0.000 0.815 271 A HN 0.230 nan 8.150 nan 0.000 0.443 272 V N 0.326 120.430 119.914 0.317 0.000 2.343 272 V HA -0.261 3.910 4.120 0.085 0.000 0.247 272 V C 2.269 178.510 176.094 0.244 0.000 1.051 272 V CA 2.159 64.617 62.300 0.263 0.000 1.036 272 V CB -0.868 31.062 31.823 0.178 0.000 0.654 272 V HN 0.632 nan 8.190 nan 0.000 0.451 273 E N -0.128 120.260 120.200 0.314 0.000 2.267 273 E HA -0.205 4.196 4.350 0.085 0.000 0.197 273 E C 1.984 178.636 176.600 0.086 0.000 0.998 273 E CA 0.885 57.435 56.400 0.249 0.000 0.830 273 E CB -0.107 29.622 29.700 0.048 0.000 0.751 273 E HN 0.546 nan 8.360 nan 0.000 0.491 274 R N -0.994 119.521 120.500 0.026 0.000 2.468 274 R HA 0.138 4.529 4.340 0.085 0.000 0.280 274 R C 0.723 177.048 176.300 0.042 0.000 0.963 274 R CA 0.434 56.530 56.100 -0.008 0.000 1.083 274 R CB 1.108 31.350 30.300 -0.096 0.000 1.200 274 R HN 0.188 nan 8.270 nan 0.000 0.541 275 G N 0.825 109.685 108.800 0.100 0.000 2.148 275 G HA2 -0.181 3.830 3.960 0.085 0.000 0.203 275 G HA3 -0.181 3.830 3.960 0.085 0.000 0.203 275 G C 0.009 175.036 174.900 0.212 0.000 0.993 275 G CA -0.641 44.553 45.100 0.157 0.000 0.661 275 G HN 0.080 nan 8.290 nan 0.000 0.518 276 I N 1.463 122.112 120.570 0.130 0.000 2.519 276 I HA 0.330 4.551 4.170 0.085 0.000 0.287 276 I C 0.520 176.636 176.117 -0.002 0.000 1.047 276 I CA -0.359 60.960 61.300 0.032 0.000 1.381 276 I CB 1.230 39.171 38.000 -0.098 0.000 1.417 276 I HN 0.034 nan 8.210 nan 0.000 0.540 277 D N 4.828 125.175 120.400 -0.088 0.000 2.454 277 D HA 0.219 4.910 4.640 0.085 0.000 0.214 277 D C 0.236 176.479 176.300 -0.095 0.000 1.088 277 D CA 0.716 54.684 54.000 -0.053 0.000 0.855 277 D CB 1.022 41.762 40.800 -0.101 0.000 1.025 277 D HN 0.402 nan 8.370 nan 0.000 0.502 278 M N 0.073 119.496 119.600 -0.294 0.000 2.470 278 M HA 0.438 4.969 4.480 0.085 0.000 0.285 278 M C -1.593 174.456 176.300 -0.418 0.000 1.213 278 M CA -0.566 54.608 55.300 -0.210 0.000 0.901 278 M CB 3.027 35.514 32.600 -0.188 0.000 1.718 278 M HN -0.309 nan 8.290 nan 0.000 0.469 279 F N 0.221 120.251 119.950 0.133 0.000 2.613 279 F HA 0.623 5.200 4.527 0.084 0.000 0.310 279 F C -0.823 174.937 175.800 -0.066 0.000 1.085 279 F CA -0.753 57.367 58.000 0.200 0.000 0.945 279 F CB 1.964 41.159 39.000 0.324 0.000 1.298 279 F HN 0.553 nan 8.300 nan 0.000 0.455 280 D N 0.339 120.864 120.400 0.209 0.000 2.753 280 D HA 0.538 5.229 4.640 0.085 0.000 0.224 280 D C -1.735 174.617 176.300 0.087 0.000 1.213 280 D CA -0.371 53.538 54.000 -0.151 0.000 0.833 280 D CB 2.038 42.775 40.800 -0.104 0.000 1.607 280 D HN 0.713 nan 8.370 nan 0.000 0.463 281 C N 1.702 121.050 119.300 0.080 0.000 3.181 281 C HA 0.342 4.853 4.460 0.085 0.000 0.362 281 C C 1.013 176.075 174.990 0.121 0.000 1.125 281 C CA -0.305 58.825 59.018 0.186 0.000 1.265 281 C CB 0.970 28.914 27.740 0.339 0.000 1.632 281 C HN 0.616 nan 8.230 nan 0.000 0.525 282 V N 4.119 124.066 119.914 0.055 0.000 3.461 282 V HA 0.082 4.253 4.120 0.085 0.000 0.267 282 V C 1.758 177.863 176.094 0.018 0.000 1.186 282 V CA 1.112 63.424 62.300 0.021 0.000 1.154 282 V CB -0.885 30.946 31.823 0.013 0.000 0.802 282 V HN 0.873 nan 8.190 nan 0.000 0.474 283 L N 0.932 122.175 121.223 0.033 0.000 1.990 283 L HA -0.081 4.310 4.340 0.085 0.000 0.213 283 L C 0.453 177.341 176.870 0.030 0.000 1.072 283 L CA 2.808 57.685 54.840 0.063 0.000 0.755 283 L CB -1.373 40.752 42.059 0.110 0.000 0.889 283 L HN 0.377 nan 8.230 nan 0.000 0.432 284 P HA -0.129 nan 4.420 nan 0.000 0.217 284 P C 1.462 178.743 177.300 -0.031 0.000 1.150 284 P CA 2.114 65.099 63.100 -0.192 0.000 0.832 284 P CB -0.234 31.017 31.700 -0.748 0.000 0.787 285 T N -1.564 112.961 114.554 -0.048 0.000 2.735 285 T HA -0.067 4.334 4.350 0.085 0.000 0.256 285 T C 2.135 176.831 174.700 -0.008 0.000 1.042 285 T CA 0.762 62.847 62.100 -0.024 0.000 1.147 285 T CB -0.816 68.030 68.868 -0.036 0.000 0.865 285 T HN 0.026 nan 8.240 nan 0.000 0.421 286 R N 1.635 122.135 120.500 0.001 0.000 2.070 286 R HA -0.112 4.279 4.340 0.085 0.000 0.233 286 R C 2.772 179.078 176.300 0.010 0.000 1.137 286 R CA 2.058 58.162 56.100 0.006 0.000 0.945 286 R CB -0.554 29.758 30.300 0.020 0.000 0.845 286 R HN 0.564 nan 8.270 nan 0.000 0.430 287 S N -0.886 114.836 115.700 0.037 0.000 2.453 287 S HA 0.010 4.531 4.470 0.085 0.000 0.231 287 S C 2.056 176.642 174.600 -0.022 0.000 1.005 287 S CA 0.681 58.891 58.200 0.016 0.000 0.949 287 S CB -0.201 63.029 63.200 0.050 0.000 0.774 287 S HN 0.530 nan 8.310 nan 0.000 0.510 288 G N 2.181 110.983 108.800 0.004 0.000 2.421 288 G HA2 -0.156 3.855 3.960 0.085 0.000 0.216 288 G HA3 -0.156 3.855 3.960 0.085 0.000 0.216 288 G C 1.711 176.583 174.900 -0.046 0.000 1.171 288 G CA 0.440 45.528 45.100 -0.019 0.000 0.775 288 G HN 0.549 nan 8.290 nan 0.000 0.543 289 R N 0.304 120.781 120.500 -0.038 0.000 2.152 289 R HA -0.010 4.381 4.340 0.085 0.000 0.232 289 R C 1.521 177.785 176.300 -0.061 0.000 1.117 289 R CA 0.988 57.056 56.100 -0.053 0.000 0.981 289 R CB -0.149 30.126 30.300 -0.042 0.000 0.870 289 R HN 0.275 nan 8.270 nan 0.000 0.451 290 N N -0.419 118.249 118.700 -0.054 0.000 2.398 290 N HA 0.020 4.811 4.740 0.085 0.000 0.188 290 N C 0.859 176.324 175.510 -0.074 0.000 1.122 290 N CA 0.954 53.970 53.050 -0.057 0.000 0.866 290 N CB 1.350 39.814 38.487 -0.038 0.000 0.970 290 N HN 0.432 nan 8.380 nan 0.000 0.462 291 G N 1.046 109.791 108.800 -0.092 0.000 2.179 291 G HA2 -0.259 3.752 3.960 0.085 0.000 0.220 291 G HA3 -0.259 3.752 3.960 0.085 0.000 0.220 291 G C -0.013 174.802 174.900 -0.141 0.000 0.990 291 G CA -0.158 44.876 45.100 -0.110 0.000 0.646 291 G HN 0.460 nan 8.290 nan 0.000 0.517 292 Q N 0.618 120.320 119.800 -0.164 0.000 2.322 292 Q HA 0.697 5.088 4.340 0.085 0.000 0.256 292 Q C 0.044 175.830 176.000 -0.357 0.000 0.960 292 Q CA 0.133 55.774 55.803 -0.271 0.000 0.934 292 Q CB 0.967 29.532 28.738 -0.288 0.000 1.200 292 Q HN 0.880 nan 8.270 nan 0.000 0.435 293 A N 4.452 127.033 122.820 -0.399 0.000 2.304 293 A HA 0.590 4.961 4.320 0.085 0.000 0.323 293 A C -1.228 176.038 177.584 -0.529 0.000 1.195 293 A CA -0.615 51.226 52.037 -0.328 0.000 0.826 293 A CB 0.480 19.315 19.000 -0.275 0.000 1.184 293 A HN 0.756 nan 8.150 nan 0.000 0.496 294 F N 1.727 121.542 119.950 -0.225 0.000 2.412 294 F HA 0.505 5.081 4.527 0.082 0.000 0.348 294 F C 1.353 176.656 175.800 -0.830 0.000 1.102 294 F CA 0.708 58.334 58.000 -0.623 0.000 1.196 294 F CB 1.699 40.141 39.000 -0.929 0.000 1.144 294 F HN 0.656 nan 8.300 nan 0.000 0.541 295 T N -1.570 112.614 114.554 -0.617 0.000 2.883 295 T HA 0.266 4.667 4.350 0.085 0.000 0.296 295 T C 0.124 174.765 174.700 -0.099 0.000 1.117 295 T CA -0.919 60.977 62.100 -0.339 0.000 1.006 295 T CB 0.802 69.596 68.868 -0.124 0.000 1.191 295 T HN 0.585 nan 8.240 nan 0.000 0.508 296 W N 0.244 121.785 121.300 0.402 0.000 2.525 296 W HA 0.133 4.843 4.660 0.084 0.000 0.259 296 W C 1.174 177.782 176.519 0.149 0.000 1.253 296 W CA 0.083 57.686 57.345 0.429 0.000 1.262 296 W CB 0.085 29.748 29.460 0.339 0.000 1.122 296 W HN 0.656 nan 8.180 nan 0.000 0.607 297 D N -0.036 120.467 120.400 0.171 0.000 2.325 297 D HA 0.246 4.937 4.640 0.085 0.000 0.234 297 D C 1.128 177.240 176.300 -0.312 0.000 1.122 297 D CA 1.042 55.015 54.000 -0.045 0.000 0.850 297 D CB -0.092 40.710 40.800 0.004 0.000 0.921 297 D HN 0.127 nan 8.370 nan 0.000 0.513 298 G N 2.048 110.463 108.800 -0.642 0.000 2.603 298 G HA2 -0.149 3.862 3.960 0.085 0.000 0.686 298 G HA3 -0.149 3.862 3.960 0.085 0.000 0.686 298 G C -3.021 171.517 174.900 -0.602 0.000 1.286 298 G CA -1.170 43.270 45.100 -1.101 0.000 0.871 298 G HN -0.112 nan 8.290 nan 0.000 0.568 299 P HA 0.576 nan 4.420 nan 0.000 0.274 299 P C 0.126 177.242 177.300 -0.308 0.000 1.231 299 P CA -0.169 62.668 63.100 -0.439 0.000 0.790 299 P CB 0.824 32.266 31.700 -0.430 0.000 0.951 300 I N -1.703 118.685 120.570 -0.303 0.000 2.828 300 I HA 0.561 4.782 4.170 0.085 0.000 0.302 300 I C -0.615 175.399 176.117 -0.172 0.000 1.101 300 I CA -1.088 60.116 61.300 -0.161 0.000 1.031 300 I CB 2.446 40.346 38.000 -0.166 0.000 1.231 300 I HN 0.071 nan 8.210 nan 0.000 0.427 301 N N 3.768 122.462 118.700 -0.010 0.000 2.501 301 N HA 0.242 5.034 4.740 0.085 0.000 0.245 301 N C 0.301 175.860 175.510 0.082 0.000 0.974 301 N CA -0.369 52.673 53.050 -0.014 0.000 0.941 301 N CB 1.624 40.120 38.487 0.015 0.000 1.122 301 N HN 0.844 nan 8.380 nan 0.000 0.507 302 I N 4.332 124.839 120.570 -0.104 0.000 2.756 302 I HA -0.069 4.152 4.170 0.085 0.000 0.262 302 I C 1.991 178.243 176.117 0.225 0.000 1.225 302 I CA 0.963 62.185 61.300 -0.131 0.000 1.472 302 I CB 0.007 37.867 38.000 -0.234 0.000 1.094 302 I HN 0.490 nan 8.210 nan 0.000 0.454 303 R N 0.315 120.898 120.500 0.138 0.000 2.148 303 R HA -0.097 4.294 4.340 0.085 0.000 0.227 303 R C 1.070 177.549 176.300 0.298 0.000 1.103 303 R CA 0.247 56.409 56.100 0.103 0.000 0.983 303 R CB -0.535 29.765 30.300 -0.001 0.000 0.874 303 R HN 0.384 nan 8.270 nan 0.000 0.451 304 N N 0.830 119.732 118.700 0.337 0.000 2.458 304 N HA -0.070 4.721 4.740 0.085 0.000 0.258 304 N C 0.742 176.350 175.510 0.165 0.000 1.219 304 N CA 0.425 53.594 53.050 0.198 0.000 0.902 304 N CB 1.154 39.697 38.487 0.093 0.000 1.076 304 N HN 0.114 nan 8.380 nan 0.000 0.455 305 A N 4.845 127.706 122.820 0.067 0.000 2.032 305 A HA -0.223 4.148 4.320 0.085 0.000 0.221 305 A C 2.013 179.469 177.584 -0.215 0.000 1.165 305 A CA 1.685 53.710 52.037 -0.020 0.000 0.645 305 A CB -0.398 18.595 19.000 -0.011 0.000 0.807 305 A HN 0.915 nan 8.150 nan 0.000 0.453 306 R N -1.885 118.414 120.500 -0.336 0.000 2.237 306 R HA -0.033 4.358 4.340 0.085 0.000 0.219 306 R C 0.749 176.714 176.300 -0.558 0.000 1.080 306 R CA 1.518 57.334 56.100 -0.473 0.000 0.995 306 R CB -0.524 29.415 30.300 -0.602 0.000 0.875 306 R HN 0.408 nan 8.270 nan 0.000 0.462 307 F N 1.654 121.472 119.950 -0.221 0.000 2.765 307 F HA 0.173 4.754 4.527 0.089 0.000 0.302 307 F C 2.198 177.745 175.800 -0.422 0.000 1.111 307 F CA 0.241 58.095 58.000 -0.244 0.000 1.359 307 F CB 0.327 39.247 39.000 -0.134 0.000 1.097 307 F HN 0.117 nan 8.300 nan 0.000 0.577 308 S N -0.163 115.231 115.700 -0.511 0.000 2.442 308 S HA -0.154 4.367 4.470 0.085 0.000 0.236 308 S C 1.162 175.695 174.600 -0.111 0.000 1.007 308 S CA 1.287 59.196 58.200 -0.485 0.000 0.965 308 S CB -0.337 62.687 63.200 -0.295 0.000 0.773 308 S HN 0.548 nan 8.310 nan 0.000 0.504 309 E N 0.560 120.718 120.200 -0.071 0.000 2.812 309 E HA 0.199 4.601 4.350 0.085 0.000 0.211 309 E C -1.108 175.501 176.600 0.015 0.000 0.986 309 E CA -0.259 56.136 56.400 -0.010 0.000 1.119 309 E CB 0.436 30.125 29.700 -0.017 0.000 1.046 309 E HN 0.316 nan 8.360 nan 0.000 0.474 310 D N 1.204 121.630 120.400 0.043 0.000 2.339 310 D HA 0.102 4.793 4.640 0.085 0.000 0.241 310 D C 0.682 177.034 176.300 0.086 0.000 1.183 310 D CA -0.102 53.947 54.000 0.081 0.000 0.859 310 D CB 1.027 41.931 40.800 0.174 0.000 1.067 310 D HN 0.164 nan 8.370 nan 0.000 0.484 311 L N 3.011 124.272 121.223 0.064 0.000 2.591 311 L HA 0.090 4.481 4.340 0.085 0.000 0.228 311 L C 1.282 178.187 176.870 0.059 0.000 1.133 311 L CA 0.187 55.064 54.840 0.062 0.000 0.880 311 L CB -0.038 42.046 42.059 0.042 0.000 1.033 311 L HN 0.139 nan 8.230 nan 0.000 0.450 312 K N 1.417 121.853 120.400 0.060 0.000 2.276 312 K HA 0.154 4.525 4.320 0.085 0.000 0.259 312 K C -2.142 174.483 176.600 0.043 0.000 1.001 312 K CA -1.606 54.711 56.287 0.050 0.000 0.927 312 K CB 0.178 32.710 32.500 0.053 0.000 0.969 312 K HN -0.152 nan 8.250 nan 0.000 0.490 313 P HA -0.037 nan 4.420 nan 0.000 0.274 313 P C 0.715 177.985 177.300 -0.051 0.000 1.246 313 P CA -0.428 62.683 63.100 0.019 0.000 0.795 313 P CB 0.558 32.280 31.700 0.037 0.000 1.006 314 L N 0.393 121.527 121.223 -0.148 0.000 2.034 314 L HA -0.150 4.241 4.340 0.085 0.000 0.217 314 L C 0.954 177.694 176.870 -0.217 0.000 1.077 314 L CA 2.129 56.778 54.840 -0.318 0.000 0.769 314 L CB -1.419 40.240 42.059 -0.667 0.000 0.890 314 L HN 0.593 nan 8.230 nan 0.000 0.435 315 D N -3.397 116.947 120.400 -0.094 0.000 2.879 315 D HA 0.199 4.891 4.640 0.085 0.000 0.236 315 D C 0.904 177.281 176.300 0.127 0.000 1.171 315 D CA 0.419 54.466 54.000 0.078 0.000 0.868 315 D CB 1.533 42.477 40.800 0.240 0.000 1.598 315 D HN 0.033 nan 8.370 nan 0.000 0.497 316 S N 2.408 118.195 115.700 0.145 0.000 2.447 316 S HA -0.084 4.437 4.470 0.085 0.000 0.233 316 S C 1.044 175.710 174.600 0.111 0.000 1.006 316 S CA 0.792 59.061 58.200 0.114 0.000 0.957 316 S CB -0.072 63.192 63.200 0.106 0.000 0.773 316 S HN 0.629 nan 8.310 nan 0.000 0.507 317 E N -0.368 119.934 120.200 0.170 0.000 2.399 317 E HA 0.202 4.603 4.350 0.085 0.000 0.205 317 E C 0.499 177.060 176.600 -0.065 0.000 0.906 317 E CA -0.239 56.204 56.400 0.072 0.000 0.998 317 E CB 0.537 30.307 29.700 0.116 0.000 1.002 317 E HN 0.498 nan 8.360 nan 0.000 0.501 318 C N 2.539 121.922 119.300 0.139 0.000 2.563 318 C HA -0.063 4.448 4.460 0.085 0.000 0.411 318 C C 1.458 176.429 174.990 -0.032 0.000 1.386 318 C CA -0.053 59.042 59.018 0.128 0.000 1.703 318 C CB -0.285 27.667 27.740 0.353 0.000 2.596 318 C HN 0.439 nan 8.230 nan 0.000 0.605 319 H N 3.695 122.898 119.070 0.222 0.000 2.539 319 H HA 0.103 4.708 4.556 0.082 0.000 0.269 319 H C 1.383 176.803 175.328 0.153 0.000 0.980 319 H CA 0.649 56.792 56.048 0.157 0.000 1.152 319 H CB -0.680 29.156 29.762 0.124 0.000 1.407 319 H HN 0.889 nan 8.280 nan 0.000 0.564 320 C N 0.187 119.648 119.300 0.268 0.000 2.656 320 C HA 0.548 5.059 4.460 0.085 0.000 0.391 320 C C 2.254 177.377 174.990 0.221 0.000 1.300 320 C CA -0.002 59.162 59.018 0.244 0.000 2.302 320 C CB 0.763 28.661 27.740 0.264 0.000 2.655 320 C HN 0.445 nan 8.230 nan 0.000 0.656 321 A N 2.279 125.223 122.820 0.207 0.000 2.019 321 A HA -0.012 4.360 4.320 0.085 0.000 0.219 321 A C 2.050 179.790 177.584 0.260 0.000 1.164 321 A CA 2.090 54.241 52.037 0.191 0.000 0.644 321 A CB -0.816 18.303 19.000 0.199 0.000 0.805 321 A HN 1.033 nan 8.150 nan 0.000 0.449 322 V N -1.097 119.026 119.914 0.348 0.000 2.307 322 V HA -0.292 3.880 4.120 0.085 0.000 0.245 322 V C 2.499 178.800 176.094 0.345 0.000 1.045 322 V CA 2.046 64.633 62.300 0.479 0.000 1.024 322 V CB -1.028 31.012 31.823 0.361 0.000 0.651 322 V HN 0.688 nan 8.190 nan 0.000 0.449 323 C N -0.107 119.336 119.300 0.238 0.000 2.456 323 C HA -0.019 4.492 4.460 0.085 0.000 0.279 323 C C 3.210 178.260 174.990 0.100 0.000 1.427 323 C CA 0.916 60.025 59.018 0.152 0.000 1.778 323 C CB -1.385 26.448 27.740 0.156 0.000 1.842 323 C HN 0.730 nan 8.230 nan 0.000 0.531 324 Q N 0.454 120.303 119.800 0.082 0.000 2.311 324 Q HA 0.034 4.425 4.340 0.085 0.000 0.203 324 Q C 1.982 177.920 176.000 -0.103 0.000 0.954 324 Q CA 1.938 57.745 55.803 0.007 0.000 0.885 324 Q CB -0.526 28.219 28.738 0.012 0.000 0.963 324 Q HN 0.798 nan 8.270 nan 0.000 0.471 325 K N -2.089 118.196 120.400 -0.190 0.000 2.474 325 K HA 0.358 4.729 4.320 0.085 0.000 0.202 325 K C 0.249 176.496 176.600 -0.587 0.000 1.248 325 K CA 0.209 56.152 56.287 -0.573 0.000 0.946 325 K CB 0.510 32.303 32.500 -1.177 0.000 1.102 325 K HN 0.566 nan 8.250 nan 0.000 0.541 326 W N 1.043 122.374 121.300 0.052 0.000 2.864 326 W HA 0.524 5.208 4.660 0.040 0.000 0.343 326 W C 0.070 176.634 176.519 0.075 0.000 1.109 326 W CA -1.029 56.363 57.345 0.078 0.000 1.192 326 W CB 1.760 31.333 29.460 0.189 0.000 1.426 326 W HN 0.250 nan 8.180 nan 0.000 0.529 327 S N 0.856 116.753 115.700 0.329 0.000 2.632 327 S HA 0.385 4.906 4.470 0.085 0.000 0.271 327 S C 1.019 175.735 174.600 0.193 0.000 1.260 327 S CA -0.491 57.833 58.200 0.206 0.000 1.010 327 S CB 1.997 65.300 63.200 0.172 0.000 0.965 327 S HN 0.499 nan 8.310 nan 0.000 0.534 328 R N 0.807 121.362 120.500 0.092 0.000 2.103 328 R HA -0.138 4.253 4.340 0.085 0.000 0.242 328 R C 2.545 178.920 176.300 0.126 0.000 1.142 328 R CA 1.611 57.726 56.100 0.026 0.000 0.960 328 R CB -1.044 29.243 30.300 -0.022 0.000 0.858 328 R HN 0.841 nan 8.270 nan 0.000 0.439 329 A N 0.216 123.137 122.820 0.167 0.000 1.902 329 A HA -0.227 4.144 4.320 0.085 0.000 0.217 329 A C 1.979 179.740 177.584 0.296 0.000 1.181 329 A CA 1.312 53.466 52.037 0.196 0.000 0.623 329 A CB -0.691 18.396 19.000 0.146 0.000 0.818 329 A HN 0.456 nan 8.150 nan 0.000 0.443 330 Y N 0.476 120.873 120.300 0.163 0.000 2.163 330 Y HA -0.119 4.476 4.550 0.076 0.000 0.288 330 Y C 1.971 177.960 175.900 0.148 0.000 1.136 330 Y CA 1.489 59.697 58.100 0.180 0.000 1.147 330 Y CB -0.318 38.259 38.460 0.196 0.000 0.987 330 Y HN 0.265 nan 8.280 nan 0.000 0.509 331 I N -0.551 120.026 120.570 0.011 0.000 2.315 331 I HA -0.315 3.906 4.170 0.085 0.000 0.248 331 I C 2.424 178.472 176.117 -0.115 0.000 1.117 331 I CA 1.721 62.923 61.300 -0.164 0.000 1.404 331 I CB -0.630 37.312 38.000 -0.097 0.000 1.071 331 I HN 0.299 nan 8.210 nan 0.000 0.419 332 H N 0.570 119.598 119.070 -0.070 0.000 2.289 332 H HA -0.330 4.277 4.556 0.084 0.000 0.296 332 H C 2.387 177.696 175.328 -0.032 0.000 1.091 332 H CA 2.575 58.610 56.048 -0.022 0.000 1.274 332 H CB -0.261 29.552 29.762 0.085 0.000 1.364 332 H HN 0.423 nan 8.280 nan 0.000 0.490 333 H N -0.553 118.493 119.070 -0.041 0.000 2.319 333 H HA -0.118 4.488 4.556 0.083 0.000 0.299 333 H C 2.021 177.211 175.328 -0.230 0.000 1.092 333 H CA 1.938 57.918 56.048 -0.114 0.000 1.302 333 H CB -0.457 29.309 29.762 0.007 0.000 1.373 333 H HN 0.353 nan 8.280 nan 0.000 0.497 334 L N 0.334 121.217 121.223 -0.567 0.000 2.046 334 L HA -0.143 4.248 4.340 0.085 0.000 0.208 334 L C 2.381 178.990 176.870 -0.434 0.000 1.077 334 L CA 1.219 55.692 54.840 -0.612 0.000 0.747 334 L CB -0.844 40.874 42.059 -0.568 0.000 0.896 334 L HN 0.461 nan 8.230 nan 0.000 0.432 335 I N -1.084 119.279 120.570 -0.345 0.000 2.252 335 I HA -0.203 4.018 4.170 0.085 0.000 0.245 335 I C 2.555 178.512 176.117 -0.267 0.000 1.102 335 I CA 0.852 61.995 61.300 -0.262 0.000 1.385 335 I CB -0.878 36.996 38.000 -0.211 0.000 1.064 335 I HN 0.306 nan 8.210 nan 0.000 0.414 336 R N 0.956 121.255 120.500 -0.335 0.000 2.105 336 R HA -0.085 4.306 4.340 0.085 0.000 0.239 336 R C 2.038 178.196 176.300 -0.236 0.000 1.135 336 R CA 1.453 57.379 56.100 -0.290 0.000 0.967 336 R CB -0.453 29.631 30.300 -0.358 0.000 0.861 336 R HN 0.344 nan 8.270 nan 0.000 0.442 337 A N -0.180 122.452 122.820 -0.313 0.000 2.208 337 A HA 0.190 4.562 4.320 0.085 0.000 0.209 337 A C 1.284 178.749 177.584 -0.197 0.000 1.161 337 A CA 0.818 52.699 52.037 -0.261 0.000 0.782 337 A CB -0.100 18.656 19.000 -0.405 0.000 0.816 337 A HN 0.420 nan 8.150 nan 0.000 0.477 338 G N -0.091 108.592 108.800 -0.195 0.000 2.249 338 G HA2 -0.224 3.787 3.960 0.085 0.000 0.273 338 G HA3 -0.224 3.787 3.960 0.085 0.000 0.273 338 G C -0.207 174.605 174.900 -0.147 0.000 1.036 338 G CA 0.346 45.356 45.100 -0.149 0.000 0.824 338 G HN 0.519 nan 8.290 nan 0.000 0.504 339 E N -0.772 119.312 120.200 -0.193 0.000 2.313 339 E HA 0.335 4.736 4.350 0.085 0.000 0.276 339 E C 1.813 178.321 176.600 -0.153 0.000 1.031 339 E CA -0.626 55.672 56.400 -0.170 0.000 0.857 339 E CB 0.796 30.366 29.700 -0.216 0.000 1.040 339 E HN 0.289 nan 8.360 nan 0.000 0.408 340 I N 2.106 122.608 120.570 -0.114 0.000 2.264 340 I HA -0.301 3.920 4.170 0.085 0.000 0.248 340 I C 2.228 178.274 176.117 -0.119 0.000 1.111 340 I CA 0.753 61.994 61.300 -0.099 0.000 1.382 340 I CB -0.165 37.794 38.000 -0.069 0.000 1.060 340 I HN 0.411 nan 8.210 nan 0.000 0.418 341 L N 1.118 122.258 121.223 -0.138 0.000 2.191 341 L HA -0.082 4.309 4.340 0.085 0.000 0.212 341 L C 2.261 178.991 176.870 -0.234 0.000 1.103 341 L CA 1.916 56.651 54.840 -0.176 0.000 0.769 341 L CB -1.056 40.895 42.059 -0.179 0.000 0.908 341 L HN 0.179 nan 8.230 nan 0.000 0.438 342 G N -0.988 107.664 108.800 -0.247 0.000 2.421 342 G HA2 -0.272 3.739 3.960 0.085 0.000 0.216 342 G HA3 -0.272 3.739 3.960 0.085 0.000 0.216 342 G C 1.614 176.409 174.900 -0.175 0.000 1.171 342 G CA 0.784 45.733 45.100 -0.251 0.000 0.775 342 G HN 0.604 nan 8.290 nan 0.000 0.543 343 A N 0.587 123.323 122.820 -0.140 0.000 1.902 343 A HA 0.007 4.378 4.320 0.085 0.000 0.217 343 A C 2.485 180.020 177.584 -0.081 0.000 1.181 343 A CA 1.926 53.904 52.037 -0.098 0.000 0.623 343 A CB -0.387 18.564 19.000 -0.082 0.000 0.818 343 A HN 0.388 nan 8.150 nan 0.000 0.443 344 M N -1.200 118.345 119.600 -0.091 0.000 2.080 344 M HA -0.158 4.373 4.480 0.085 0.000 0.260 344 M C 2.002 178.265 176.300 -0.062 0.000 1.068 344 M CA 1.334 56.592 55.300 -0.070 0.000 1.109 344 M CB -0.433 32.118 32.600 -0.082 0.000 1.342 344 M HN 0.324 nan 8.290 nan 0.000 0.405 345 L N -0.343 120.812 121.223 -0.115 0.000 2.056 345 L HA -0.117 4.274 4.340 0.085 0.000 0.207 345 L C 2.438 179.308 176.870 0.001 0.000 1.078 345 L CA 1.737 56.523 54.840 -0.089 0.000 0.749 345 L CB -0.914 41.017 42.059 -0.212 0.000 0.901 345 L HN 0.344 nan 8.230 nan 0.000 0.433 346 M N -1.294 118.285 119.600 -0.035 0.000 2.117 346 M HA -0.165 4.366 4.480 0.085 0.000 0.262 346 M C 2.162 178.500 176.300 0.063 0.000 1.065 346 M CA 1.658 56.963 55.300 0.008 0.000 1.114 346 M CB -1.444 31.126 32.600 -0.049 0.000 1.361 346 M HN 0.235 nan 8.290 nan 0.000 0.408 347 T N -0.125 114.443 114.554 0.024 0.000 2.777 347 T HA -0.154 4.247 4.350 0.085 0.000 0.266 347 T C 1.754 176.486 174.700 0.053 0.000 1.040 347 T CA 1.495 63.611 62.100 0.027 0.000 1.141 347 T CB -0.154 68.713 68.868 -0.002 0.000 0.868 347 T HN 0.474 nan 8.240 nan 0.000 0.444 348 E N 0.270 120.512 120.200 0.071 0.000 2.051 348 E HA -0.263 4.138 4.350 0.085 0.000 0.192 348 E C 2.081 178.762 176.600 0.134 0.000 0.991 348 E CA 1.438 57.898 56.400 0.100 0.000 0.799 348 E CB -0.137 29.633 29.700 0.116 0.000 0.748 348 E HN 0.668 nan 8.360 nan 0.000 0.449 349 H N 0.450 119.576 119.070 0.093 0.000 2.321 349 H HA -0.074 4.530 4.556 0.080 0.000 0.300 349 H C 1.858 177.280 175.328 0.157 0.000 1.087 349 H CA 2.319 58.440 56.048 0.121 0.000 1.319 349 H CB -0.105 29.707 29.762 0.083 0.000 1.379 349 H HN 0.132 nan 8.280 nan 0.000 0.501 350 N N 0.260 118.956 118.700 -0.007 0.000 2.142 350 N HA -0.103 4.688 4.740 0.085 0.000 0.186 350 N C 1.888 177.406 175.510 0.014 0.000 1.023 350 N CA 1.191 54.258 53.050 0.027 0.000 0.852 350 N CB -0.108 38.480 38.487 0.168 0.000 0.998 350 N HN 0.384 nan 8.380 nan 0.000 0.424 351 I N 0.983 121.551 120.570 -0.004 0.000 2.315 351 I HA -0.110 4.111 4.170 0.085 0.000 0.248 351 I C 2.148 178.301 176.117 0.061 0.000 1.117 351 I CA 0.573 61.880 61.300 0.012 0.000 1.404 351 I CB -1.290 36.732 38.000 0.036 0.000 1.071 351 I HN 0.005 nan 8.210 nan 0.000 0.419 352 A N 0.610 123.459 122.820 0.049 0.000 1.898 352 A HA -0.246 4.125 4.320 0.085 0.000 0.216 352 A C 2.294 179.900 177.584 0.037 0.000 1.181 352 A CA 1.151 53.227 52.037 0.066 0.000 0.620 352 A CB -1.013 18.045 19.000 0.096 0.000 0.819 352 A HN 0.372 nan 8.150 nan 0.000 0.442 353 F N -0.729 119.100 119.950 -0.202 0.000 2.095 353 F HA -0.233 4.343 4.527 0.081 0.000 0.298 353 F C 2.134 177.819 175.800 -0.192 0.000 1.104 353 F CA 1.995 59.842 58.000 -0.254 0.000 1.232 353 F CB -0.406 38.348 39.000 -0.411 0.000 0.987 353 F HN 0.293 nan 8.300 nan 0.000 0.475 354 Y N 0.834 121.000 120.300 -0.223 0.000 2.165 354 Y HA -0.262 4.339 4.550 0.085 0.000 0.286 354 Y C 2.639 178.356 175.900 -0.304 0.000 1.155 354 Y CA 1.846 59.687 58.100 -0.431 0.000 1.164 354 Y CB -0.844 37.189 38.460 -0.712 0.000 0.978 354 Y HN 0.145 nan 8.280 nan 0.000 0.513 355 Q N 0.036 119.842 119.800 0.010 0.000 2.124 355 Q HA -0.212 4.179 4.340 0.085 0.000 0.202 355 Q C 2.130 178.121 176.000 -0.015 0.000 0.977 355 Q CA 1.461 57.290 55.803 0.043 0.000 0.850 355 Q CB -0.471 28.326 28.738 0.099 0.000 0.901 355 Q HN 0.632 nan 8.270 nan 0.000 0.429 356 Q N 0.093 119.869 119.800 -0.040 0.000 2.119 356 Q HA -0.129 4.262 4.340 0.085 0.000 0.201 356 Q C 2.122 178.117 176.000 -0.009 0.000 0.972 356 Q CA 0.841 56.656 55.803 0.021 0.000 0.847 356 Q CB -0.133 28.686 28.738 0.135 0.000 0.903 356 Q HN 0.200 nan 8.270 nan 0.000 0.433 357 L N 0.106 121.216 121.223 -0.189 0.000 2.017 357 L HA -0.192 4.199 4.340 0.085 0.000 0.208 357 L C 1.994 178.758 176.870 -0.177 0.000 1.073 357 L CA 1.708 56.449 54.840 -0.165 0.000 0.745 357 L CB -0.312 41.425 42.059 -0.535 0.000 0.894 357 L HN 0.212 nan 8.230 nan 0.000 0.432 358 M N -0.972 118.528 119.600 -0.167 0.000 2.159 358 M HA -0.173 4.358 4.480 0.085 0.000 0.263 358 M C 2.314 178.547 176.300 -0.112 0.000 1.063 358 M CA 1.509 56.745 55.300 -0.107 0.000 1.110 358 M CB -1.459 31.141 32.600 -0.000 0.000 1.374 358 M HN 0.410 nan 8.290 nan 0.000 0.411 359 Q N 1.008 120.754 119.800 -0.090 0.000 2.084 359 Q HA -0.110 4.282 4.340 0.085 0.000 0.202 359 Q C 1.870 177.760 176.000 -0.184 0.000 0.978 359 Q CA 1.817 57.562 55.803 -0.097 0.000 0.844 359 Q CB -0.079 28.631 28.738 -0.046 0.000 0.898 359 Q HN 0.473 nan 8.270 nan 0.000 0.426 360 K N -0.369 119.880 120.400 -0.252 0.000 2.097 360 K HA -0.051 4.320 4.320 0.085 0.000 0.205 360 K C 2.060 178.243 176.600 -0.694 0.000 1.050 360 K CA 1.282 57.278 56.287 -0.485 0.000 0.938 360 K CB -0.123 32.012 32.500 -0.608 0.000 0.718 360 K HN 0.261 nan 8.250 nan 0.000 0.442 361 I N 0.870 121.114 120.570 -0.544 0.000 2.179 361 I HA -0.294 3.927 4.170 0.085 0.000 0.242 361 I C 2.416 178.305 176.117 -0.380 0.000 1.088 361 I CA 1.312 62.345 61.300 -0.445 0.000 1.357 361 I CB -0.225 37.603 38.000 -0.287 0.000 1.051 361 I HN 0.141 nan 8.210 nan 0.000 0.409 362 R N 0.620 120.961 120.500 -0.264 0.000 2.083 362 R HA -0.183 4.209 4.340 0.085 0.000 0.237 362 R C 1.959 178.154 176.300 -0.174 0.000 1.137 362 R CA 1.782 57.767 56.100 -0.191 0.000 0.951 362 R CB -0.464 29.765 30.300 -0.117 0.000 0.851 362 R HN 0.373 nan 8.270 nan 0.000 0.434 363 D N 0.129 120.422 120.400 -0.179 0.000 2.117 363 D HA -0.127 4.564 4.640 0.085 0.000 0.197 363 D C 2.054 178.279 176.300 -0.125 0.000 0.987 363 D CA 1.829 55.745 54.000 -0.139 0.000 0.829 363 D CB -0.265 40.451 40.800 -0.141 0.000 0.961 363 D HN 0.224 nan 8.370 nan 0.000 0.460 364 S N 0.109 115.707 115.700 -0.170 0.000 2.402 364 S HA -0.075 4.446 4.470 0.085 0.000 0.229 364 S C 2.210 176.818 174.600 0.013 0.000 1.021 364 S CA 0.438 58.606 58.200 -0.053 0.000 0.974 364 S CB -0.502 62.670 63.200 -0.047 0.000 0.800 364 S HN 0.233 nan 8.310 nan 0.000 0.484 365 I N 1.824 122.345 120.570 -0.082 0.000 2.286 365 I HA -0.101 4.120 4.170 0.085 0.000 0.245 365 I C 2.633 178.727 176.117 -0.039 0.000 1.104 365 I CA 1.077 62.340 61.300 -0.061 0.000 1.397 365 I CB -0.506 37.370 38.000 -0.207 0.000 1.072 365 I HN 0.287 nan 8.210 nan 0.000 0.417 366 S N 0.349 116.011 115.700 -0.064 0.000 2.400 366 S HA -0.189 4.332 4.470 0.085 0.000 0.232 366 S C 1.584 176.168 174.600 -0.027 0.000 1.025 366 S CA 1.316 59.486 58.200 -0.049 0.000 0.993 366 S CB -0.294 62.871 63.200 -0.058 0.000 0.808 366 S HN 0.507 nan 8.310 nan 0.000 0.478 367 E N -0.144 120.046 120.200 -0.017 0.000 2.474 367 E HA 0.272 4.673 4.350 0.085 0.000 0.195 367 E C 1.006 177.618 176.600 0.020 0.000 1.039 367 E CA 0.153 56.552 56.400 -0.001 0.000 0.881 367 E CB 0.309 30.006 29.700 -0.005 0.000 0.970 367 E HN 0.472 nan 8.360 nan 0.000 0.486 368 G N 3.035 111.856 108.800 0.035 0.000 2.176 368 G HA2 -0.344 3.667 3.960 0.085 0.000 0.252 368 G HA3 -0.344 3.667 3.960 0.085 0.000 0.252 368 G C 0.581 175.528 174.900 0.079 0.000 1.024 368 G CA 0.701 45.834 45.100 0.055 0.000 0.755 368 G HN 0.422 nan 8.290 nan 0.000 0.507 369 R N -1.567 118.997 120.500 0.106 0.000 2.642 369 R HA 0.461 4.853 4.340 0.085 0.000 0.435 369 R C 1.273 177.697 176.300 0.208 0.000 1.046 369 R CA -0.221 55.951 56.100 0.121 0.000 1.103 369 R CB -0.218 30.134 30.300 0.088 0.000 1.425 369 R HN 0.213 nan 8.270 nan 0.000 0.586 370 F N 1.813 121.804 119.950 0.068 0.000 2.186 370 F HA 0.019 4.597 4.527 0.085 0.000 0.299 370 F C 1.674 177.563 175.800 0.148 0.000 1.090 370 F CA 1.403 59.474 58.000 0.119 0.000 1.307 370 F CB 0.087 39.128 39.000 0.068 0.000 1.019 370 F HN 0.038 nan 8.300 nan 0.000 0.489 371 S N -0.118 115.535 115.700 -0.079 0.000 2.368 371 S HA -0.251 4.270 4.470 0.085 0.000 0.225 371 S C 1.860 176.381 174.600 -0.131 0.000 1.030 371 S CA 1.327 59.401 58.200 -0.210 0.000 0.999 371 S CB -0.449 62.702 63.200 -0.082 0.000 0.844 371 S HN 0.457 nan 8.310 nan 0.000 0.459 372 Q N 0.817 120.605 119.800 -0.020 0.000 2.084 372 Q HA -0.086 4.305 4.340 0.085 0.000 0.202 372 Q C 1.753 177.766 176.000 0.022 0.000 0.978 372 Q CA 1.500 57.307 55.803 0.006 0.000 0.844 372 Q CB -0.590 28.174 28.738 0.044 0.000 0.898 372 Q HN 0.535 nan 8.270 nan 0.000 0.426 373 F N 0.252 120.181 119.950 -0.035 0.000 2.095 373 F HA -0.156 4.422 4.527 0.085 0.000 0.298 373 F C 1.894 177.694 175.800 -0.001 0.000 1.104 373 F CA 1.753 59.757 58.000 0.006 0.000 1.232 373 F CB -0.786 38.265 39.000 0.086 0.000 0.987 373 F HN 0.132 nan 8.300 nan 0.000 0.475 374 A N 0.038 122.663 122.820 -0.325 0.000 1.902 374 A HA -0.276 4.095 4.320 0.085 0.000 0.217 374 A C 2.299 179.777 177.584 -0.176 0.000 1.181 374 A CA 1.848 53.672 52.037 -0.355 0.000 0.623 374 A CB -1.120 17.597 19.000 -0.470 0.000 0.818 374 A HN 0.659 nan 8.150 nan 0.000 0.443 375 Q N -0.541 119.171 119.800 -0.146 0.000 2.079 375 Q HA -0.222 4.169 4.340 0.085 0.000 0.200 375 Q C 1.274 177.233 176.000 -0.069 0.000 0.974 375 Q CA 1.764 57.525 55.803 -0.070 0.000 0.840 375 Q CB -0.200 28.504 28.738 -0.055 0.000 0.898 375 Q HN 0.587 nan 8.270 nan 0.000 0.430 376 D N 0.185 120.522 120.400 -0.105 0.000 2.104 376 D HA -0.170 4.522 4.640 0.085 0.000 0.194 376 D C 1.577 177.804 176.300 -0.121 0.000 0.994 376 D CA 1.043 54.987 54.000 -0.093 0.000 0.830 376 D CB -0.510 40.247 40.800 -0.072 0.000 0.959 376 D HN 0.299 nan 8.370 nan 0.000 0.452 377 F N 1.941 121.651 119.950 -0.400 0.000 2.069 377 F HA -0.194 4.383 4.527 0.084 0.000 0.298 377 F C 2.350 178.106 175.800 -0.074 0.000 1.113 377 F CA 1.638 59.431 58.000 -0.344 0.000 1.214 377 F CB -0.120 38.457 39.000 -0.705 0.000 0.978 377 F HN -0.209 nan 8.300 nan 0.000 0.474 378 R N 0.159 120.556 120.500 -0.170 0.000 2.081 378 R HA -0.101 4.291 4.340 0.085 0.000 0.235 378 R C 2.490 178.831 176.300 0.068 0.000 1.131 378 R CA 1.186 57.276 56.100 -0.016 0.000 0.960 378 R CB -0.885 29.546 30.300 0.218 0.000 0.856 378 R HN 0.442 nan 8.270 nan 0.000 0.436 379 A N 1.227 124.057 122.820 0.017 0.000 1.940 379 A HA -0.223 4.149 4.320 0.085 0.000 0.219 379 A C 2.504 180.095 177.584 0.011 0.000 1.176 379 A CA 2.144 54.203 52.037 0.036 0.000 0.631 379 A CB -0.708 18.298 19.000 0.010 0.000 0.814 379 A HN 0.440 nan 8.150 nan 0.000 0.446 380 R N -1.782 118.687 120.500 -0.051 0.000 2.062 380 R HA -0.040 4.351 4.340 0.085 0.000 0.226 380 R C 2.145 178.393 176.300 -0.085 0.000 1.125 380 R CA 1.540 57.615 56.100 -0.042 0.000 0.966 380 R CB -1.582 28.711 30.300 -0.012 0.000 0.861 380 R HN 0.682 nan 8.270 nan 0.000 0.433 381 Y N 0.112 120.160 120.300 -0.420 0.000 2.207 381 Y HA -0.078 4.522 4.550 0.084 0.000 0.287 381 Y C 1.108 176.667 175.900 -0.569 0.000 1.156 381 Y CA 1.847 59.577 58.100 -0.616 0.000 1.182 381 Y CB -0.016 37.705 38.460 -1.233 0.000 0.979 381 Y HN 0.259 nan 8.280 nan 0.000 0.521 382 F N -0.226 119.707 119.950 -0.029 0.000 2.668 382 F HA 0.412 4.991 4.527 0.087 0.000 0.297 382 F C 1.136 176.906 175.800 -0.049 0.000 1.124 382 F CA -0.199 57.779 58.000 -0.036 0.000 1.353 382 F CB -0.929 38.082 39.000 0.017 0.000 0.992 382 F HN -0.013 nan 8.300 nan 0.000 0.524 383 A N 0.000 122.850 122.820 0.050 0.000 2.254 383 A HA 0.000 4.371 4.320 0.085 0.000 0.244 383 A CA 0.000 52.058 52.037 0.035 0.000 0.836 383 A CB 0.000 19.005 19.000 0.008 0.000 0.831 383 A HN 0.000 nan 8.150 nan 0.000 0.486