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 1yl7_1_A DATA FIRST_RESID 1 DATA SEQUENCE ARVGVLGAKG KVGATMVRAV AAADDLTLSA ELDAGDPLSL LTDGNTEVVI DATA SEQUENCE DFTHPDVVMG NLEFLIDNGI HAVVGTTGFT AERFQQVESW LVAKPNTSVL DATA SEQUENCE IAPNFAIGAV LSMHFAKQAA RFFDSAEVIE LHHPHKADAP SGTAARTAKL DATA SEQUENCE IAEARKGLPP NPDATSTSLP GARGADVDGI PVHAVRLAGL VAHQEVLFGT DATA SEQUENCE EGETLTIRHD SLDRTSFVPG VLLAVRRIAE RPGLTVGLEP LLDLH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.603 177.584 0.032 0.000 1.274 1 A CA 0.000 52.057 52.037 0.034 0.000 0.836 1 A CB 0.000 19.027 19.000 0.044 0.000 0.831 2 R N 0.715 121.236 120.500 0.035 0.000 2.210 2 R HA 0.510 4.850 4.340 -0.000 0.000 0.338 2 R C -0.982 175.340 176.300 0.038 0.000 1.062 2 R CA -0.251 55.867 56.100 0.031 0.000 0.902 2 R CB 1.034 31.350 30.300 0.026 0.000 1.050 2 R HN 0.418 nan 8.270 nan 0.000 0.461 3 V N 2.277 122.212 119.914 0.034 0.000 2.495 3 V HA 0.559 4.679 4.120 -0.000 0.000 0.298 3 V C 0.579 176.695 176.094 0.036 0.000 1.031 3 V CA -0.838 61.485 62.300 0.039 0.000 0.871 3 V CB 1.933 33.777 31.823 0.035 0.000 0.988 3 V HN 0.925 nan 8.190 nan 0.000 0.432 4 G N 2.516 111.342 108.800 0.043 0.000 2.489 4 G HA2 0.696 4.656 3.960 -0.000 0.000 0.327 4 G HA3 0.696 4.656 3.960 -0.000 0.000 0.327 4 G C -1.334 173.594 174.900 0.047 0.000 1.189 4 G CA -0.660 44.465 45.100 0.041 0.000 0.962 4 G HN 0.572 nan 8.290 nan 0.000 0.486 5 V N 0.928 120.869 119.914 0.045 0.000 2.531 5 V HA 0.410 4.530 4.120 -0.000 0.000 0.301 5 V C -0.266 175.861 176.094 0.056 0.000 1.034 5 V CA -0.570 61.767 62.300 0.061 0.000 0.865 5 V CB 1.546 33.405 31.823 0.060 0.000 0.995 5 V HN 0.576 nan 8.190 nan 0.000 0.424 6 L N 4.144 125.409 121.223 0.069 0.000 2.272 6 L HA 0.713 5.053 4.340 -0.000 0.000 0.289 6 L C 1.035 177.959 176.870 0.089 0.000 1.032 6 L CA 0.175 55.049 54.840 0.057 0.000 0.810 6 L CB 1.437 43.522 42.059 0.045 0.000 1.205 6 L HN 0.991 nan 8.230 nan 0.000 0.422 7 G N 2.368 111.210 108.800 0.070 0.000 2.164 7 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.212 7 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.212 7 G C 0.823 175.765 174.900 0.071 0.000 1.031 7 G CA 0.153 45.304 45.100 0.085 0.000 0.730 7 G HN 0.844 nan 8.290 nan 0.000 0.501 8 A N -0.296 122.553 122.820 0.047 0.000 2.019 8 A HA 0.079 4.399 4.320 -0.000 0.000 0.219 8 A C 2.099 179.694 177.584 0.019 0.000 1.164 8 A CA 2.038 54.094 52.037 0.031 0.000 0.644 8 A CB -0.236 18.777 19.000 0.022 0.000 0.805 8 A HN 0.546 nan 8.150 nan 0.000 0.449 9 K N -0.324 120.087 120.400 0.019 0.000 2.444 9 K HA 0.140 4.460 4.320 -0.000 0.000 0.193 9 K C 1.048 177.656 176.600 0.014 0.000 1.024 9 K CA 0.177 56.471 56.287 0.011 0.000 1.077 9 K CB 0.174 32.678 32.500 0.007 0.000 0.833 9 K HN 0.419 nan 8.250 nan 0.000 0.517 10 G N 0.967 109.782 108.800 0.025 0.000 2.572 10 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.261 10 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.261 10 G C 0.287 175.193 174.900 0.009 0.000 1.197 10 G CA -0.457 44.661 45.100 0.031 0.000 0.870 10 G HN 0.024 nan 8.290 nan 0.000 0.548 11 K N -0.416 119.991 120.400 0.011 0.000 2.034 11 K HA -0.157 4.163 4.320 -0.000 0.000 0.214 11 K C 2.431 179.010 176.600 -0.035 0.000 1.051 11 K CA 1.592 57.878 56.287 -0.002 0.000 0.931 11 K CB -0.302 32.207 32.500 0.015 0.000 0.715 11 K HN 0.254 nan 8.250 nan 0.000 0.446 12 V N 0.021 119.888 119.914 -0.079 0.000 2.599 12 V HA -0.047 4.073 4.120 -0.000 0.000 0.245 12 V C 2.301 178.225 176.094 -0.284 0.000 1.046 12 V CA 1.780 63.927 62.300 -0.255 0.000 1.065 12 V CB -0.430 31.059 31.823 -0.557 0.000 0.703 12 V HN 0.479 nan 8.190 nan 0.000 0.464 13 G N 0.194 108.923 108.800 -0.119 0.000 2.422 13 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.218 13 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.218 13 G C 1.713 176.593 174.900 -0.032 0.000 1.146 13 G CA 1.107 46.191 45.100 -0.026 0.000 0.769 13 G HN 0.581 nan 8.290 nan 0.000 0.547 14 A N 0.185 122.986 122.820 -0.031 0.000 1.968 14 A HA 0.057 4.377 4.320 -0.000 0.000 0.217 14 A C 2.498 180.062 177.584 -0.034 0.000 1.169 14 A CA 2.217 54.241 52.037 -0.022 0.000 0.638 14 A CB -0.774 18.218 19.000 -0.014 0.000 0.812 14 A HN 0.271 nan 8.150 nan 0.000 0.446 15 T N 0.292 114.813 114.554 -0.056 0.000 2.759 15 T HA -0.152 4.198 4.350 -0.000 0.000 0.269 15 T C 1.876 176.539 174.700 -0.062 0.000 1.042 15 T CA 1.663 63.727 62.100 -0.059 0.000 1.140 15 T CB -0.246 68.580 68.868 -0.070 0.000 0.864 15 T HN 0.313 nan 8.240 nan 0.000 0.455 16 M N 0.505 120.055 119.600 -0.084 0.000 2.288 16 M HA 0.069 4.549 4.480 -0.000 0.000 0.266 16 M C 2.457 178.746 176.300 -0.019 0.000 1.072 16 M CA 0.731 55.996 55.300 -0.059 0.000 1.132 16 M CB -1.235 31.328 32.600 -0.061 0.000 1.386 16 M HN 0.133 nan 8.290 nan 0.000 0.432 17 V N 0.450 120.357 119.914 -0.012 0.000 2.261 17 V HA -0.277 3.843 4.120 -0.000 0.000 0.246 17 V C 2.603 178.695 176.094 -0.004 0.000 1.047 17 V CA 2.008 64.308 62.300 -0.001 0.000 1.015 17 V CB -0.788 31.035 31.823 0.001 0.000 0.642 17 V HN 0.451 nan 8.190 nan 0.000 0.446 18 R N 0.044 120.538 120.500 -0.010 0.000 2.103 18 R HA -0.220 4.120 4.340 -0.000 0.000 0.242 18 R C 2.264 178.559 176.300 -0.008 0.000 1.142 18 R CA 1.847 57.941 56.100 -0.009 0.000 0.960 18 R CB -0.466 29.826 30.300 -0.014 0.000 0.858 18 R HN 0.512 nan 8.270 nan 0.000 0.439 19 A N 0.073 122.886 122.820 -0.012 0.000 1.877 19 A HA -0.109 4.211 4.320 -0.000 0.000 0.216 19 A C 2.268 179.850 177.584 -0.002 0.000 1.186 19 A CA 1.675 53.707 52.037 -0.009 0.000 0.620 19 A CB -0.533 18.458 19.000 -0.014 0.000 0.822 19 A HN 0.232 nan 8.150 nan 0.000 0.443 20 V N -0.149 119.765 119.914 0.000 0.000 2.307 20 V HA -0.215 3.905 4.120 -0.000 0.000 0.245 20 V C 3.064 179.161 176.094 0.006 0.000 1.045 20 V CA 1.879 64.183 62.300 0.006 0.000 1.024 20 V CB -1.319 30.511 31.823 0.011 0.000 0.651 20 V HN 0.611 nan 8.190 nan 0.000 0.449 21 A N 0.128 122.951 122.820 0.005 0.000 1.908 21 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 21 A C 2.395 179.981 177.584 0.004 0.000 1.181 21 A CA 2.241 54.281 52.037 0.004 0.000 0.627 21 A CB -0.780 18.221 19.000 0.003 0.000 0.818 21 A HN 0.585 nan 8.150 nan 0.000 0.445 22 A N -0.436 122.385 122.820 0.002 0.000 1.969 22 A HA 0.437 4.757 4.320 -0.000 0.000 0.218 22 A C 1.516 179.102 177.584 0.004 0.000 1.169 22 A CA 1.082 53.120 52.037 0.002 0.000 0.635 22 A CB -0.828 18.172 19.000 -0.000 0.000 0.810 22 A HN 1.118 nan 8.150 nan 0.000 0.445 23 A N 1.227 124.050 122.820 0.005 0.000 2.362 23 A HA 0.442 4.762 4.320 -0.000 0.000 0.276 23 A C 0.151 177.739 177.584 0.008 0.000 1.153 23 A CA 0.086 52.127 52.037 0.007 0.000 0.813 23 A CB 0.165 19.169 19.000 0.008 0.000 1.081 23 A HN 0.430 nan 8.150 nan 0.000 0.507 24 D N 1.704 122.109 120.400 0.008 0.000 2.491 24 D HA -0.016 4.624 4.640 -0.000 0.000 0.228 24 D C -0.040 176.266 176.300 0.009 0.000 1.183 24 D CA 0.189 54.194 54.000 0.008 0.000 0.827 24 D CB 0.210 41.014 40.800 0.007 0.000 0.989 24 D HN 0.571 nan 8.370 nan 0.000 0.494 25 D N -0.075 120.331 120.400 0.010 0.000 2.407 25 D HA 0.053 4.693 4.640 -0.000 0.000 0.208 25 D C 0.460 176.768 176.300 0.014 0.000 1.083 25 D CA -0.179 53.828 54.000 0.012 0.000 0.844 25 D CB 0.635 41.442 40.800 0.012 0.000 0.967 25 D HN 0.225 nan 8.370 nan 0.000 0.506 26 L N 0.738 121.969 121.223 0.014 0.000 2.362 26 L HA 0.422 4.762 4.340 -0.000 0.000 0.275 26 L C -0.587 176.292 176.870 0.015 0.000 0.998 26 L CA -0.610 54.240 54.840 0.016 0.000 0.820 26 L CB 2.374 44.443 42.059 0.017 0.000 1.270 26 L HN -0.297 nan 8.230 nan 0.000 0.415 27 T N 3.561 118.125 114.554 0.017 0.000 2.770 27 T HA 0.313 4.663 4.350 -0.000 0.000 0.297 27 T C -0.233 174.478 174.700 0.018 0.000 0.997 27 T CA -0.409 61.700 62.100 0.016 0.000 0.949 27 T CB 1.154 70.031 68.868 0.015 0.000 0.941 27 T HN 0.267 nan 8.240 nan 0.000 0.457 28 L N 4.673 125.905 121.223 0.015 0.000 2.562 28 L HA 0.198 4.538 4.340 -0.000 0.000 0.271 28 L C 1.113 177.992 176.870 0.016 0.000 1.167 28 L CA 0.854 55.703 54.840 0.016 0.000 0.917 28 L CB 0.243 42.310 42.059 0.013 0.000 1.187 28 L HN 0.731 nan 8.230 nan 0.000 0.482 29 S N 2.921 118.633 115.700 0.020 0.000 2.578 29 S HA 0.738 5.208 4.470 -0.000 0.000 0.228 29 S C 0.290 174.902 174.600 0.019 0.000 1.022 29 S CA 0.101 58.313 58.200 0.019 0.000 0.967 29 S CB 0.380 63.594 63.200 0.022 0.000 0.914 29 S HN 1.000 nan 8.310 nan 0.000 0.515 30 A N 0.937 123.768 122.820 0.020 0.000 2.573 30 A HA 0.650 4.970 4.320 -0.000 0.000 0.299 30 A C -1.555 176.039 177.584 0.016 0.000 1.060 30 A CA -0.643 51.404 52.037 0.017 0.000 0.736 30 A CB 0.949 19.962 19.000 0.021 0.000 1.280 30 A HN 0.209 nan 8.150 nan 0.000 0.401 31 E N 2.447 122.653 120.200 0.010 0.000 2.675 31 E HA 0.422 4.772 4.350 -0.000 0.000 0.236 31 E C -1.066 175.537 176.600 0.004 0.000 1.059 31 E CA -0.222 56.185 56.400 0.011 0.000 0.775 31 E CB 1.220 30.925 29.700 0.008 0.000 1.356 31 E HN 0.600 nan 8.360 nan 0.000 0.403 32 L N 1.154 122.379 121.223 0.003 0.000 2.322 32 L HA 0.599 4.939 4.340 -0.000 0.000 0.279 32 L C 0.252 177.121 176.870 -0.002 0.000 1.036 32 L CA -0.637 54.197 54.840 -0.010 0.000 0.807 32 L CB 1.077 43.117 42.059 -0.031 0.000 1.226 32 L HN 0.428 nan 8.230 nan 0.000 0.433 33 D N 0.471 120.866 120.400 -0.009 0.000 2.846 33 D HA 0.481 5.121 4.640 -0.000 0.000 0.273 33 D C -0.772 175.519 176.300 -0.015 0.000 1.145 33 D CA -0.520 53.479 54.000 -0.003 0.000 1.091 33 D CB 2.422 43.224 40.800 0.003 0.000 1.364 33 D HN 0.583 nan 8.370 nan 0.000 0.613 34 A N -1.021 121.792 122.820 -0.013 0.000 2.524 34 A HA 0.440 4.760 4.320 -0.000 0.000 0.250 34 A C 1.024 178.591 177.584 -0.029 0.000 1.078 34 A CA 1.180 53.203 52.037 -0.023 0.000 0.761 34 A CB -0.355 18.631 19.000 -0.023 0.000 1.012 34 A HN 0.869 nan 8.150 nan 0.000 0.500 35 G N 2.152 110.930 108.800 -0.037 0.000 2.175 35 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.244 35 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.244 35 G C -0.171 174.703 174.900 -0.043 0.000 0.982 35 G CA 0.259 45.336 45.100 -0.038 0.000 0.641 35 G HN 0.797 nan 8.290 nan 0.000 0.527 36 D N 2.271 122.642 120.400 -0.049 0.000 2.264 36 D HA 0.483 5.123 4.640 -0.000 0.000 0.250 36 D C -1.604 174.644 176.300 -0.087 0.000 1.113 36 D CA -1.016 52.951 54.000 -0.056 0.000 0.871 36 D CB 1.412 42.183 40.800 -0.047 0.000 1.167 36 D HN 0.198 nan 8.370 nan 0.000 0.447 37 P HA 0.065 nan 4.420 nan 0.000 0.268 37 P C 0.953 178.138 177.300 -0.191 0.000 1.204 37 P CA -0.244 62.781 63.100 -0.124 0.000 0.768 37 P CB 1.125 32.776 31.700 -0.082 0.000 0.842 38 L N 2.134 123.147 121.223 -0.350 0.000 2.265 38 L HA -0.187 4.153 4.340 -0.000 0.000 0.215 38 L C 2.571 179.170 176.870 -0.452 0.000 1.117 38 L CA 1.707 56.167 54.840 -0.633 0.000 0.782 38 L CB -0.669 40.564 42.059 -1.376 0.000 0.914 38 L HN 0.482 nan 8.230 nan 0.000 0.441 39 S N -0.074 115.507 115.700 -0.199 0.000 2.419 39 S HA -0.212 4.258 4.470 -0.000 0.000 0.235 39 S C 1.884 176.505 174.600 0.034 0.000 1.019 39 S CA 0.937 59.159 58.200 0.037 0.000 0.982 39 S CB -0.643 62.576 63.200 0.032 0.000 0.789 39 S HN 0.437 nan 8.310 nan 0.000 0.490 40 L N 0.348 121.557 121.223 -0.022 0.000 2.187 40 L HA -0.083 4.257 4.340 -0.000 0.000 0.213 40 L C 2.487 179.371 176.870 0.022 0.000 1.100 40 L CA 1.133 55.970 54.840 -0.006 0.000 0.765 40 L CB -0.556 41.487 42.059 -0.026 0.000 0.904 40 L HN 0.373 nan 8.230 nan 0.000 0.437 41 L N -0.965 120.283 121.223 0.042 0.000 2.044 41 L HA -0.168 4.172 4.340 -0.000 0.000 0.205 41 L C 2.823 179.753 176.870 0.100 0.000 1.075 41 L CA 1.823 56.714 54.840 0.085 0.000 0.747 41 L CB -1.041 41.107 42.059 0.147 0.000 0.903 41 L HN 0.397 nan 8.230 nan 0.000 0.435 42 T N -3.719 110.921 114.554 0.145 0.000 2.821 42 T HA -0.154 4.196 4.350 -0.000 0.000 0.267 42 T C 1.358 176.091 174.700 0.054 0.000 1.046 42 T CA 1.346 63.503 62.100 0.095 0.000 1.139 42 T CB -0.448 68.487 68.868 0.112 0.000 0.871 42 T HN 0.165 nan 8.240 nan 0.000 0.454 43 D N 1.523 121.954 120.400 0.052 0.000 2.371 43 D HA 0.143 4.783 4.640 -0.000 0.000 0.221 43 D C 1.984 178.298 176.300 0.023 0.000 0.986 43 D CA 0.817 54.835 54.000 0.030 0.000 0.899 43 D CB -0.557 40.257 40.800 0.025 0.000 0.902 43 D HN 0.628 nan 8.370 nan 0.000 0.530 44 G N -0.175 108.642 108.800 0.028 0.000 3.088 44 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.217 44 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.217 44 G C 0.207 175.120 174.900 0.022 0.000 1.159 44 G CA -0.397 44.717 45.100 0.023 0.000 0.760 44 G HN 0.194 nan 8.290 nan 0.000 0.550 45 N N 0.318 119.032 118.700 0.023 0.000 2.714 45 N HA -0.150 4.590 4.740 -0.000 0.000 0.253 45 N C -0.428 175.092 175.510 0.017 0.000 1.024 45 N CA 0.451 53.510 53.050 0.015 0.000 0.726 45 N CB -0.961 37.532 38.487 0.010 0.000 0.908 45 N HN 0.181 nan 8.380 nan 0.000 0.542 46 T N 0.122 114.691 114.554 0.026 0.000 2.851 46 T HA 0.087 4.437 4.350 -0.000 0.000 0.298 46 T C 1.348 176.059 174.700 0.018 0.000 0.977 46 T CA -0.069 62.050 62.100 0.031 0.000 1.126 46 T CB 1.202 70.099 68.868 0.047 0.000 0.916 46 T HN 0.205 nan 8.240 nan 0.000 0.529 47 E N 1.439 121.655 120.200 0.027 0.000 2.162 47 E HA 0.134 4.484 4.350 -0.000 0.000 0.193 47 E C 0.060 176.695 176.600 0.058 0.000 0.953 47 E CA 0.296 56.712 56.400 0.027 0.000 0.849 47 E CB 0.484 30.218 29.700 0.058 0.000 0.810 47 E HN 0.317 nan 8.360 nan 0.000 0.470 48 V N 1.834 121.799 119.914 0.084 0.000 2.656 48 V HA 0.332 4.452 4.120 -0.000 0.000 0.307 48 V C -0.406 175.735 176.094 0.078 0.000 1.051 48 V CA -0.957 61.409 62.300 0.109 0.000 0.893 48 V CB 2.234 34.123 31.823 0.111 0.000 0.999 48 V HN -0.120 nan 8.190 nan 0.000 0.426 49 V N 5.043 125.006 119.914 0.081 0.000 2.513 49 V HA 0.524 4.644 4.120 -0.000 0.000 0.299 49 V C -0.261 175.868 176.094 0.058 0.000 1.035 49 V CA -0.491 61.851 62.300 0.069 0.000 0.889 49 V CB 1.991 33.860 31.823 0.077 0.000 0.988 49 V HN 0.707 nan 8.190 nan 0.000 0.440 50 I N 4.010 124.614 120.570 0.057 0.000 2.315 50 I HA 0.348 4.518 4.170 -0.000 0.000 0.291 50 I C -0.317 175.844 176.117 0.073 0.000 1.006 50 I CA -0.013 61.321 61.300 0.057 0.000 1.265 50 I CB 1.140 39.202 38.000 0.103 0.000 1.387 50 I HN 0.555 nan 8.210 nan 0.000 0.475 51 D N 7.372 127.755 120.400 -0.030 0.000 2.440 51 D HA 0.305 4.945 4.640 -0.000 0.000 0.239 51 D C -1.295 174.871 176.300 -0.222 0.000 1.084 51 D CA -0.310 53.671 54.000 -0.032 0.000 0.843 51 D CB 1.021 41.819 40.800 -0.002 0.000 1.097 51 D HN 0.235 nan 8.370 nan 0.000 0.531 52 F N 2.785 122.758 119.950 0.038 0.000 2.660 52 F HA 0.153 4.680 4.527 -0.000 0.000 0.352 52 F C 1.234 177.057 175.800 0.039 0.000 1.257 52 F CA -0.403 57.616 58.000 0.033 0.000 1.200 52 F CB 1.362 40.363 39.000 0.001 0.000 1.473 52 F HN 0.235 nan 8.300 nan 0.000 0.561 53 T N -2.665 111.973 114.554 0.141 0.000 2.312 53 T HA 0.346 4.696 4.350 -0.000 0.000 0.175 53 T C -0.485 174.305 174.700 0.150 0.000 0.727 53 T CA -0.146 62.033 62.100 0.131 0.000 1.333 53 T CB 0.682 69.607 68.868 0.096 0.000 2.928 53 T HN 0.288 nan 8.240 nan 0.000 0.403 54 H N 0.692 119.770 119.070 0.014 0.000 2.974 54 H HA 0.343 4.899 4.556 -0.000 0.000 0.366 54 H C -2.538 172.759 175.328 -0.052 0.000 1.155 54 H CA -1.713 54.329 56.048 -0.010 0.000 1.186 54 H CB 2.330 32.086 29.762 -0.010 0.000 1.799 54 H HN 0.086 nan 8.280 nan 0.000 0.541 55 P HA -0.152 nan 4.420 nan 0.000 0.217 55 P C 0.551 177.834 177.300 -0.029 0.000 1.148 55 P CA 1.387 64.347 63.100 -0.234 0.000 0.834 55 P CB 0.391 31.896 31.700 -0.325 0.000 0.783 56 D N -1.742 118.838 120.400 0.300 0.000 2.317 56 D HA -0.072 4.568 4.640 -0.000 0.000 0.211 56 D C 1.647 177.992 176.300 0.075 0.000 0.966 56 D CA 0.907 55.012 54.000 0.174 0.000 0.876 56 D CB -0.129 40.755 40.800 0.139 0.000 0.927 56 D HN 0.195 nan 8.370 nan 0.000 0.519 57 V N -2.816 117.148 119.914 0.084 0.000 3.635 57 V HA 0.183 4.303 4.120 -0.000 0.000 0.266 57 V C 1.924 178.042 176.094 0.041 0.000 1.316 57 V CA -0.093 62.232 62.300 0.041 0.000 1.060 57 V CB 0.152 31.992 31.823 0.029 0.000 0.820 57 V HN -0.015 nan 8.190 nan 0.000 0.447 58 V N 0.906 120.839 119.914 0.032 0.000 2.407 58 V HA -0.179 3.941 4.120 -0.000 0.000 0.248 58 V C 2.551 178.721 176.094 0.126 0.000 1.055 58 V CA 2.676 65.012 62.300 0.060 0.000 1.049 58 V CB -0.018 31.820 31.823 0.026 0.000 0.662 58 V HN 0.467 nan 8.190 nan 0.000 0.455 59 M N 0.103 119.772 119.600 0.115 0.000 2.132 59 M HA -0.025 4.455 4.480 -0.000 0.000 0.263 59 M C 2.343 178.779 176.300 0.227 0.000 1.065 59 M CA 1.875 57.341 55.300 0.276 0.000 1.122 59 M CB -2.093 30.667 32.600 0.266 0.000 1.365 59 M HN 0.453 nan 8.290 nan 0.000 0.411 60 G N 1.189 110.060 108.800 0.119 0.000 2.491 60 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.218 60 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.218 60 G C 1.415 176.323 174.900 0.012 0.000 1.180 60 G CA 1.153 46.277 45.100 0.040 0.000 0.774 60 G HN 0.404 nan 8.290 nan 0.000 0.562 61 N N 0.600 119.323 118.700 0.038 0.000 2.043 61 N HA -0.065 4.675 4.740 -0.000 0.000 0.193 61 N C 2.283 177.850 175.510 0.096 0.000 1.037 61 N CA 0.799 53.879 53.050 0.051 0.000 0.851 61 N CB -0.674 37.843 38.487 0.050 0.000 1.027 61 N HN 0.298 nan 8.380 nan 0.000 0.422 62 L N 1.222 122.516 121.223 0.118 0.000 2.013 62 L HA -0.208 4.132 4.340 -0.000 0.000 0.212 62 L C 2.474 179.300 176.870 -0.074 0.000 1.073 62 L CA 1.408 56.331 54.840 0.138 0.000 0.753 62 L CB -0.385 41.877 42.059 0.338 0.000 0.890 62 L HN 0.322 nan 8.230 nan 0.000 0.432 63 E N -0.279 119.663 120.200 -0.429 0.000 2.085 63 E HA -0.296 4.054 4.350 -0.000 0.000 0.194 63 E C 2.134 178.466 176.600 -0.446 0.000 0.994 63 E CA 1.546 57.339 56.400 -1.012 0.000 0.801 63 E CB -0.162 28.775 29.700 -1.271 0.000 0.743 63 E HN 0.385 nan 8.360 nan 0.000 0.453 64 F N 1.132 120.893 119.950 -0.315 0.000 2.069 64 F HA -0.205 4.322 4.527 -0.000 0.000 0.298 64 F C 1.965 177.676 175.800 -0.149 0.000 1.113 64 F CA 1.558 59.441 58.000 -0.193 0.000 1.214 64 F CB -0.197 38.730 39.000 -0.122 0.000 0.978 64 F HN -0.002 nan 8.300 nan 0.000 0.474 65 L N -0.121 121.142 121.223 0.067 0.000 2.046 65 L HA -0.237 4.103 4.340 -0.000 0.000 0.208 65 L C 2.469 179.268 176.870 -0.117 0.000 1.077 65 L CA 1.483 56.328 54.840 0.009 0.000 0.747 65 L CB -0.750 41.369 42.059 0.100 0.000 0.896 65 L HN 0.200 nan 8.230 nan 0.000 0.432 66 I N -0.096 120.414 120.570 -0.100 0.000 2.179 66 I HA -0.302 3.868 4.170 -0.000 0.000 0.242 66 I C 2.213 178.237 176.117 -0.155 0.000 1.088 66 I CA 1.470 62.722 61.300 -0.080 0.000 1.357 66 I CB -0.323 37.683 38.000 0.010 0.000 1.051 66 I HN 0.262 nan 8.210 nan 0.000 0.409 67 D N 0.991 121.237 120.400 -0.256 0.000 2.144 67 D HA -0.172 4.468 4.640 -0.000 0.000 0.199 67 D C 1.580 177.705 176.300 -0.293 0.000 0.984 67 D CA 1.206 55.045 54.000 -0.268 0.000 0.834 67 D CB -0.078 40.530 40.800 -0.319 0.000 0.955 67 D HN 0.219 nan 8.370 nan 0.000 0.465 68 N N -0.590 117.868 118.700 -0.404 0.000 2.313 68 N HA 0.099 4.839 4.740 -0.000 0.000 0.207 68 N C 0.871 176.233 175.510 -0.247 0.000 1.141 68 N CA 0.641 53.462 53.050 -0.382 0.000 0.830 68 N CB 0.804 38.919 38.487 -0.620 0.000 1.008 68 N HN 0.260 nan 8.380 nan 0.000 0.481 69 G N 1.566 110.241 108.800 -0.207 0.000 2.233 69 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.270 69 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.270 69 G C 0.125 174.855 174.900 -0.283 0.000 1.011 69 G CA 0.070 45.050 45.100 -0.201 0.000 0.762 69 G HN 0.393 nan 8.290 nan 0.000 0.511 70 I N 1.960 122.401 120.570 -0.214 0.000 2.352 70 I HA 0.221 4.391 4.170 -0.000 0.000 0.290 70 I C 0.803 176.843 176.117 -0.127 0.000 1.036 70 I CA -1.053 60.142 61.300 -0.175 0.000 1.336 70 I CB 0.486 38.456 38.000 -0.050 0.000 1.407 70 I HN 0.065 nan 8.210 nan 0.000 0.497 71 H N 5.161 124.242 119.070 0.018 0.000 2.897 71 H HA 0.332 4.888 4.556 -0.000 0.000 0.347 71 H C 0.022 175.371 175.328 0.035 0.000 1.068 71 H CA -0.226 55.837 56.048 0.025 0.000 1.426 71 H CB 0.895 30.669 29.762 0.021 0.000 1.410 71 H HN 0.679 nan 8.280 nan 0.000 0.597 72 A N 3.442 126.364 122.820 0.170 0.000 2.330 72 A HA 0.469 4.789 4.320 -0.000 0.000 0.313 72 A C -0.549 177.089 177.584 0.090 0.000 1.124 72 A CA -0.679 51.425 52.037 0.112 0.000 0.774 72 A CB 0.979 20.042 19.000 0.106 0.000 1.198 72 A HN 0.430 nan 8.150 nan 0.000 0.465 73 V N 3.764 123.718 119.914 0.067 0.000 2.313 73 V HA 0.353 4.472 4.120 -0.000 0.000 0.278 73 V C -0.422 175.676 176.094 0.007 0.000 1.017 73 V CA -0.403 61.937 62.300 0.066 0.000 0.823 73 V CB 1.153 32.988 31.823 0.020 0.000 1.010 73 V HN 0.619 nan 8.190 nan 0.000 0.443 74 V N 4.210 124.156 119.914 0.053 0.000 2.357 74 V HA 0.493 4.613 4.120 -0.000 0.000 0.284 74 V C 1.176 177.259 176.094 -0.019 0.000 1.018 74 V CA 0.178 62.450 62.300 -0.046 0.000 0.841 74 V CB 1.260 33.089 31.823 0.010 0.000 0.991 74 V HN 0.844 nan 8.190 nan 0.000 0.437 75 G N 2.836 111.320 108.800 -0.527 0.000 2.662 75 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.212 75 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.212 75 G C 0.710 175.429 174.900 -0.302 0.000 1.141 75 G CA 0.142 44.912 45.100 -0.550 0.000 0.797 75 G HN 0.599 nan 8.290 nan 0.000 0.531 76 T N 2.173 116.572 114.554 -0.258 0.000 2.923 76 T HA 0.303 4.653 4.350 -0.000 0.000 0.304 76 T C 1.083 175.863 174.700 0.134 0.000 1.044 76 T CA 0.780 62.874 62.100 -0.009 0.000 1.141 76 T CB 0.900 69.784 68.868 0.028 0.000 1.023 76 T HN 0.403 nan 8.240 nan 0.000 0.533 77 T N -0.341 114.236 114.554 0.038 0.000 2.891 77 T HA 0.597 4.947 4.350 -0.000 0.000 0.294 77 T C 1.353 175.979 174.700 -0.123 0.000 1.065 77 T CA -0.216 61.913 62.100 0.048 0.000 0.936 77 T CB 0.616 69.487 68.868 0.005 0.000 1.415 77 T HN 1.219 nan 8.240 nan 0.000 0.572 78 G N -0.450 108.273 108.800 -0.127 0.000 2.132 78 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.234 78 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.234 78 G C -0.161 174.517 174.900 -0.371 0.000 0.989 78 G CA -0.364 44.590 45.100 -0.244 0.000 0.676 78 G HN 0.641 nan 8.290 nan 0.000 0.522 79 F N 2.218 122.027 119.950 -0.236 0.000 2.438 79 F HA 0.538 5.065 4.527 -0.000 0.000 0.356 79 F C 1.402 176.892 175.800 -0.517 0.000 1.099 79 F CA 0.701 58.426 58.000 -0.459 0.000 1.185 79 F CB 1.299 39.916 39.000 -0.637 0.000 1.115 79 F HN 0.209 nan 8.300 nan 0.000 0.526 80 T N -0.253 114.086 114.554 -0.358 0.000 2.919 80 T HA 0.625 4.974 4.350 -0.000 0.000 0.282 80 T C 1.063 175.612 174.700 -0.252 0.000 1.020 80 T CA -0.377 61.580 62.100 -0.238 0.000 0.994 80 T CB 1.476 70.256 68.868 -0.147 0.000 1.180 80 T HN 0.525 nan 8.240 nan 0.000 0.566 81 A N -0.031 122.767 122.820 -0.037 0.000 1.883 81 A HA -0.112 4.208 4.320 -0.000 0.000 0.217 81 A C 2.218 179.826 177.584 0.039 0.000 1.186 81 A CA 2.160 54.250 52.037 0.089 0.000 0.624 81 A CB -1.273 17.772 19.000 0.076 0.000 0.822 81 A HN 1.018 nan 8.150 nan 0.000 0.444 82 E N -0.548 119.635 120.200 -0.029 0.000 2.118 82 E HA -0.207 4.143 4.350 -0.000 0.000 0.195 82 E C 2.292 178.849 176.600 -0.072 0.000 0.992 82 E CA 1.228 57.599 56.400 -0.048 0.000 0.804 82 E CB -0.062 29.601 29.700 -0.061 0.000 0.741 82 E HN 0.599 nan 8.360 nan 0.000 0.458 83 R N -0.678 119.758 120.500 -0.106 0.000 2.073 83 R HA -0.069 4.271 4.340 -0.000 0.000 0.229 83 R C 2.309 178.634 176.300 0.041 0.000 1.120 83 R CA 1.368 57.420 56.100 -0.081 0.000 0.967 83 R CB -0.333 29.889 30.300 -0.131 0.000 0.862 83 R HN 0.266 nan 8.270 nan 0.000 0.436 84 F N 1.309 121.316 119.950 0.095 0.000 2.126 84 F HA -0.262 4.265 4.527 -0.000 0.000 0.299 84 F C 2.626 178.397 175.800 -0.048 0.000 1.096 84 F CA 1.059 59.071 58.000 0.019 0.000 1.255 84 F CB -0.073 38.925 39.000 -0.004 0.000 0.997 84 F HN 0.115 nan 8.300 nan 0.000 0.479 85 Q N -0.299 119.573 119.800 0.120 0.000 2.119 85 Q HA -0.258 4.082 4.340 -0.000 0.000 0.201 85 Q C 2.078 178.006 176.000 -0.120 0.000 0.972 85 Q CA 1.399 57.203 55.803 0.003 0.000 0.847 85 Q CB -0.223 28.508 28.738 -0.011 0.000 0.903 85 Q HN 0.308 nan 8.270 nan 0.000 0.433 86 Q N 0.377 120.047 119.800 -0.217 0.000 2.084 86 Q HA -0.133 4.207 4.340 -0.000 0.000 0.202 86 Q C 1.866 177.457 176.000 -0.680 0.000 0.978 86 Q CA 1.476 56.953 55.803 -0.542 0.000 0.844 86 Q CB -0.113 28.234 28.738 -0.653 0.000 0.898 86 Q HN 0.198 nan 8.270 nan 0.000 0.426 87 V N 0.912 120.668 119.914 -0.262 0.000 2.358 87 V HA -0.205 3.915 4.120 -0.000 0.000 0.246 87 V C 2.269 178.400 176.094 0.061 0.000 1.047 87 V CA 1.940 64.264 62.300 0.040 0.000 1.035 87 V CB -0.607 31.345 31.823 0.215 0.000 0.658 87 V HN 0.380 nan 8.190 nan 0.000 0.452 88 E N 0.463 120.670 120.200 0.012 0.000 2.049 88 E HA -0.213 4.137 4.350 -0.000 0.000 0.198 88 E C 2.481 179.081 176.600 -0.000 0.000 1.007 88 E CA 1.863 58.269 56.400 0.009 0.000 0.809 88 E CB -0.542 29.154 29.700 -0.007 0.000 0.749 88 E HN 0.558 nan 8.360 nan 0.000 0.450 89 S N 0.125 115.775 115.700 -0.083 0.000 2.370 89 S HA -0.159 4.311 4.470 -0.000 0.000 0.226 89 S C 1.573 176.198 174.600 0.041 0.000 1.033 89 S CA 1.002 59.153 58.200 -0.082 0.000 1.011 89 S CB -0.258 62.820 63.200 -0.204 0.000 0.852 89 S HN 0.371 nan 8.310 nan 0.000 0.457 90 W N 1.260 122.583 121.300 0.037 0.000 2.436 90 W HA 0.200 4.860 4.660 -0.000 0.000 0.284 90 W C 1.669 178.201 176.519 0.020 0.000 1.225 90 W CA 0.174 57.537 57.345 0.029 0.000 1.271 90 W CB -1.021 28.463 29.460 0.039 0.000 1.114 90 W HN 0.304 nan 8.180 nan 0.000 0.559 91 L N -0.364 121.001 121.223 0.237 0.000 2.554 91 L HA -0.081 4.259 4.340 -0.000 0.000 0.226 91 L C 2.032 178.958 176.870 0.093 0.000 1.137 91 L CA 0.016 54.942 54.840 0.144 0.000 0.863 91 L CB -0.593 41.537 42.059 0.117 0.000 0.985 91 L HN -0.290 nan 8.230 nan 0.000 0.451 92 V N 0.089 120.056 119.914 0.088 0.000 2.427 92 V HA -0.243 3.877 4.120 -0.000 0.000 0.248 92 V C 2.609 178.737 176.094 0.057 0.000 1.051 92 V CA 1.839 64.174 62.300 0.058 0.000 1.048 92 V CB -0.687 31.164 31.823 0.047 0.000 0.666 92 V HN 0.509 nan 8.190 nan 0.000 0.456 93 A N -1.313 121.552 122.820 0.075 0.000 2.067 93 A HA 0.019 4.339 4.320 -0.000 0.000 0.217 93 A C 1.259 178.865 177.584 0.037 0.000 1.156 93 A CA 0.817 52.888 52.037 0.056 0.000 0.683 93 A CB 0.039 19.081 19.000 0.070 0.000 0.808 93 A HN 0.366 nan 8.150 nan 0.000 0.455 94 K N 0.173 120.600 120.400 0.046 0.000 2.624 94 K HA 0.247 4.567 4.320 -0.000 0.000 0.200 94 K C -2.541 174.082 176.600 0.038 0.000 1.036 94 K CA -1.542 54.761 56.287 0.026 0.000 1.029 94 K CB 1.621 34.127 32.500 0.011 0.000 1.317 94 K HN 0.182 nan 8.250 nan 0.000 0.555 95 P HA -0.037 nan 4.420 nan 0.000 0.229 95 P C -0.064 177.264 177.300 0.045 0.000 1.160 95 P CA 0.715 63.837 63.100 0.037 0.000 0.777 95 P CB 0.208 31.924 31.700 0.026 0.000 0.814 96 N N -0.736 117.993 118.700 0.047 0.000 2.320 96 N HA 0.099 4.839 4.740 -0.000 0.000 0.237 96 N C -0.509 175.085 175.510 0.139 0.000 1.129 96 N CA 0.036 53.131 53.050 0.076 0.000 0.854 96 N CB 0.204 38.722 38.487 0.052 0.000 1.083 96 N HN -0.046 nan 8.380 nan 0.000 0.504 97 T N -0.172 114.457 114.554 0.125 0.000 2.841 97 T HA 0.418 4.768 4.350 -0.000 0.000 0.283 97 T C -0.304 174.531 174.700 0.226 0.000 1.000 97 T CA -0.562 61.645 62.100 0.178 0.000 0.977 97 T CB 1.739 70.632 68.868 0.042 0.000 0.979 97 T HN -0.154 nan 8.240 nan 0.000 0.446 98 S N 1.837 117.770 115.700 0.388 0.000 2.472 98 S HA 0.684 5.154 4.470 -0.000 0.000 0.303 98 S C -0.529 174.159 174.600 0.147 0.000 1.099 98 S CA -0.716 57.575 58.200 0.152 0.000 1.077 98 S CB 1.357 64.532 63.200 -0.042 0.000 1.031 98 S HN 0.498 nan 8.310 nan 0.000 0.487 99 V N 3.945 123.906 119.914 0.078 0.000 2.483 99 V HA 0.489 4.609 4.120 -0.000 0.000 0.297 99 V C -0.651 175.449 176.094 0.010 0.000 1.027 99 V CA -0.638 61.700 62.300 0.064 0.000 0.855 99 V CB 1.562 33.432 31.823 0.078 0.000 0.995 99 V HN 0.792 nan 8.190 nan 0.000 0.424 100 L N 6.494 127.730 121.223 0.020 0.000 2.305 100 L HA 0.689 5.029 4.340 -0.000 0.000 0.284 100 L C -1.016 175.848 176.870 -0.009 0.000 1.013 100 L CA -0.243 54.596 54.840 -0.001 0.000 0.819 100 L CB 1.145 43.234 42.059 0.051 0.000 1.227 100 L HN 0.574 nan 8.230 nan 0.000 0.417 101 I N 5.237 125.735 120.570 -0.120 0.000 2.418 101 I HA 0.644 4.814 4.170 -0.000 0.000 0.287 101 I C -0.386 175.588 176.117 -0.237 0.000 1.008 101 I CA -0.425 60.758 61.300 -0.196 0.000 1.104 101 I CB 1.918 39.700 38.000 -0.363 0.000 1.264 101 I HN 0.682 nan 8.210 nan 0.000 0.438 102 A N 8.069 130.686 122.820 -0.339 0.000 2.374 102 A HA 0.724 5.044 4.320 -0.000 0.000 0.305 102 A C -2.210 175.161 177.584 -0.356 0.000 1.053 102 A CA -1.275 50.450 52.037 -0.519 0.000 0.726 102 A CB 1.299 19.606 19.000 -1.155 0.000 1.229 102 A HN 0.525 nan 8.150 nan 0.000 0.431 103 P HA 0.001 nan 4.420 nan 0.000 0.233 103 P C -0.189 177.072 177.300 -0.064 0.000 1.167 103 P CA 0.800 63.862 63.100 -0.063 0.000 0.770 103 P CB 0.274 31.971 31.700 -0.005 0.000 0.837 104 N N -0.596 118.018 118.700 -0.142 0.000 2.629 104 N HA 0.154 4.894 4.740 -0.000 0.000 0.277 104 N C -0.642 174.853 175.510 -0.025 0.000 1.188 104 N CA -0.472 52.573 53.050 -0.009 0.000 0.835 104 N CB 0.321 38.839 38.487 0.051 0.000 1.420 104 N HN -0.234 nan 8.380 nan 0.000 0.542 105 F N 0.920 120.997 119.950 0.211 0.000 2.797 105 F HA 0.315 4.842 4.527 -0.000 0.000 0.302 105 F C 1.551 177.564 175.800 0.356 0.000 1.130 105 F CA -0.108 58.054 58.000 0.270 0.000 1.387 105 F CB 0.527 39.708 39.000 0.302 0.000 1.107 105 F HN 0.452 nan 8.300 nan 0.000 0.577 106 A N 0.955 124.120 122.820 0.574 0.000 2.410 106 A HA 0.227 4.547 4.320 -0.000 0.000 0.292 106 A C 1.388 179.037 177.584 0.109 0.000 1.232 106 A CA -0.237 51.976 52.037 0.294 0.000 0.893 106 A CB -0.472 18.649 19.000 0.201 0.000 1.131 106 A HN 0.454 nan 8.150 nan 0.000 0.530 107 I N 2.903 123.527 120.570 0.089 0.000 2.194 107 I HA -0.299 3.871 4.170 -0.000 0.000 0.246 107 I C 2.629 178.692 176.117 -0.091 0.000 1.093 107 I CA 1.813 63.121 61.300 0.012 0.000 1.355 107 I CB -0.410 37.612 38.000 0.037 0.000 1.046 107 I HN 0.723 nan 8.210 nan 0.000 0.413 108 G N 0.462 109.204 108.800 -0.097 0.000 2.440 108 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.218 108 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.218 108 G C 1.860 176.375 174.900 -0.641 0.000 1.154 108 G CA 0.938 45.897 45.100 -0.235 0.000 0.767 108 G HN 0.516 nan 8.290 nan 0.000 0.552 109 A N 0.155 122.503 122.820 -0.787 0.000 1.858 109 A HA 0.061 4.381 4.320 -0.000 0.000 0.216 109 A C 2.626 180.046 177.584 -0.274 0.000 1.190 109 A CA 1.936 53.616 52.037 -0.595 0.000 0.617 109 A CB -0.790 18.098 19.000 -0.187 0.000 0.827 109 A HN 0.288 nan 8.150 nan 0.000 0.443 110 V N 0.225 120.030 119.914 -0.182 0.000 2.282 110 V HA -0.307 3.813 4.120 -0.000 0.000 0.249 110 V C 2.587 178.547 176.094 -0.222 0.000 1.057 110 V CA 2.153 64.364 62.300 -0.148 0.000 1.032 110 V CB -0.858 30.899 31.823 -0.110 0.000 0.645 110 V HN 0.559 nan 8.190 nan 0.000 0.447 111 L N 0.604 121.627 121.223 -0.333 0.000 2.027 111 L HA -0.151 4.189 4.340 -0.000 0.000 0.206 111 L C 2.818 179.159 176.870 -0.882 0.000 1.074 111 L CA 1.839 56.295 54.840 -0.640 0.000 0.745 111 L CB -0.765 40.914 42.059 -0.633 0.000 0.898 111 L HN 0.572 nan 8.230 nan 0.000 0.433 112 S N -0.153 115.255 115.700 -0.488 0.000 2.370 112 S HA -0.272 4.198 4.470 -0.000 0.000 0.226 112 S C 2.030 176.589 174.600 -0.069 0.000 1.033 112 S CA 1.411 59.490 58.200 -0.201 0.000 1.011 112 S CB -0.407 62.750 63.200 -0.072 0.000 0.852 112 S HN 0.323 nan 8.310 nan 0.000 0.457 113 M N 0.274 119.826 119.600 -0.080 0.000 2.132 113 M HA -0.077 4.403 4.480 -0.000 0.000 0.263 113 M C 2.373 178.704 176.300 0.052 0.000 1.065 113 M CA 1.985 57.292 55.300 0.011 0.000 1.122 113 M CB -0.461 32.142 32.600 0.005 0.000 1.365 113 M HN 0.575 nan 8.290 nan 0.000 0.411 114 H N 0.264 119.269 119.070 -0.108 0.000 2.321 114 H HA -0.121 4.435 4.556 0.000 0.000 0.300 114 H C 1.614 177.027 175.328 0.143 0.000 1.087 114 H CA 2.108 58.135 56.048 -0.034 0.000 1.319 114 H CB -0.395 29.299 29.762 -0.114 0.000 1.379 114 H HN 0.352 nan 8.280 nan 0.000 0.501 115 F N 0.086 120.037 119.950 0.003 0.000 2.126 115 F HA -0.211 4.316 4.527 0.000 0.000 0.299 115 F C 2.872 178.679 175.800 0.011 0.000 1.096 115 F CA 0.233 58.215 58.000 -0.030 0.000 1.255 115 F CB -0.440 38.595 39.000 0.057 0.000 0.997 115 F HN 0.362 nan 8.300 nan 0.000 0.479 116 A N 0.339 123.334 122.820 0.293 0.000 1.908 116 A HA -0.248 4.072 4.320 -0.000 0.000 0.218 116 A C 2.233 179.960 177.584 0.238 0.000 1.181 116 A CA 1.891 54.151 52.037 0.372 0.000 0.627 116 A CB -0.719 18.473 19.000 0.320 0.000 0.818 116 A HN 0.341 nan 8.150 nan 0.000 0.445 117 K N -0.402 120.068 120.400 0.117 0.000 2.057 117 K HA -0.172 4.148 4.320 -0.000 0.000 0.206 117 K C 2.082 178.682 176.600 -0.000 0.000 1.050 117 K CA 1.610 57.930 56.287 0.055 0.000 0.935 117 K CB -0.243 32.278 32.500 0.034 0.000 0.715 117 K HN 0.640 nan 8.250 nan 0.000 0.439 118 Q N -0.414 119.357 119.800 -0.048 0.000 2.167 118 Q HA -0.073 4.267 4.340 -0.000 0.000 0.202 118 Q C 1.956 178.012 176.000 0.093 0.000 0.970 118 Q CA 1.269 57.068 55.803 -0.007 0.000 0.855 118 Q CB 0.042 28.738 28.738 -0.069 0.000 0.911 118 Q HN 0.411 nan 8.270 nan 0.000 0.438 119 A N 0.772 123.575 122.820 -0.027 0.000 1.975 119 A HA 0.143 4.463 4.320 -0.000 0.000 0.215 119 A C 2.289 179.740 177.584 -0.222 0.000 1.170 119 A CA 0.906 52.876 52.037 -0.112 0.000 0.656 119 A CB -0.424 18.243 19.000 -0.556 0.000 0.821 119 A HN 0.333 nan 8.150 nan 0.000 0.449 120 A N 0.638 123.273 122.820 -0.308 0.000 1.927 120 A HA -0.266 4.054 4.320 -0.000 0.000 0.220 120 A C 2.179 179.752 177.584 -0.017 0.000 1.185 120 A CA 1.932 53.912 52.037 -0.095 0.000 0.639 120 A CB -0.496 18.583 19.000 0.132 0.000 0.820 120 A HN 0.560 nan 8.150 nan 0.000 0.451 121 R N -2.121 118.256 120.500 -0.205 0.000 2.236 121 R HA 0.066 4.406 4.340 -0.000 0.000 0.208 121 R C 0.606 176.620 176.300 -0.477 0.000 1.036 121 R CA 0.866 56.726 56.100 -0.400 0.000 1.001 121 R CB -0.181 29.680 30.300 -0.731 0.000 0.896 121 R HN 0.611 nan 8.270 nan 0.000 0.464 122 F N -0.814 119.063 119.950 -0.123 0.000 2.660 122 F HA 0.260 4.787 4.527 -0.000 0.000 0.302 122 F C -0.115 175.277 175.800 -0.680 0.000 1.103 122 F CA -0.237 57.526 58.000 -0.395 0.000 1.340 122 F CB 0.452 39.139 39.000 -0.522 0.000 1.048 122 F HN -0.203 nan 8.300 nan 0.000 0.551 123 F N -0.621 119.363 119.950 0.057 0.000 2.576 123 F HA 0.313 4.840 4.527 0.000 0.000 0.313 123 F C 0.818 176.675 175.800 0.096 0.000 1.078 123 F CA -1.209 56.853 58.000 0.103 0.000 0.921 123 F CB 1.116 40.222 39.000 0.177 0.000 1.232 123 F HN -0.310 nan 8.300 nan 0.000 0.459 124 D N 0.359 120.915 120.400 0.259 0.000 2.144 124 D HA -0.037 4.603 4.640 -0.000 0.000 0.200 124 D C 0.123 176.531 176.300 0.181 0.000 0.978 124 D CA 1.413 55.514 54.000 0.168 0.000 0.833 124 D CB 0.179 41.054 40.800 0.126 0.000 0.961 124 D HN 0.255 nan 8.370 nan 0.000 0.470 125 S N -0.872 114.969 115.700 0.235 0.000 2.513 125 S HA 0.788 5.258 4.470 -0.000 0.000 0.299 125 S C -0.698 174.024 174.600 0.204 0.000 1.087 125 S CA -0.830 57.475 58.200 0.174 0.000 1.012 125 S CB 2.615 65.885 63.200 0.117 0.000 1.044 125 S HN 0.184 nan 8.310 nan 0.000 0.485 126 A N 2.479 125.362 122.820 0.106 0.000 2.408 126 A HA 0.766 5.086 4.320 -0.000 0.000 0.295 126 A C -0.881 176.636 177.584 -0.112 0.000 1.040 126 A CA -0.697 51.302 52.037 -0.064 0.000 0.707 126 A CB 1.188 20.238 19.000 0.083 0.000 1.235 126 A HN 0.726 nan 8.150 nan 0.000 0.418 127 E N 0.608 120.685 120.200 -0.205 0.000 2.393 127 E HA 0.630 4.980 4.350 -0.000 0.000 0.273 127 E C -1.448 175.067 176.600 -0.142 0.000 0.918 127 E CA -0.933 55.403 56.400 -0.106 0.000 0.773 127 E CB 2.685 32.390 29.700 0.009 0.000 1.275 127 E HN 0.381 nan 8.360 nan 0.000 0.451 128 V N 2.393 122.270 119.914 -0.063 0.000 2.540 128 V HA 0.475 4.595 4.120 -0.000 0.000 0.302 128 V C -0.443 175.684 176.094 0.055 0.000 1.035 128 V CA -0.625 61.651 62.300 -0.039 0.000 0.873 128 V CB 1.527 33.327 31.823 -0.039 0.000 0.992 128 V HN 0.519 nan 8.190 nan 0.000 0.428 129 I N 4.500 125.107 120.570 0.063 0.000 2.406 129 I HA 0.565 4.735 4.170 -0.000 0.000 0.290 129 I C -0.415 175.748 176.117 0.077 0.000 0.999 129 I CA -0.479 60.881 61.300 0.100 0.000 1.124 129 I CB 2.027 40.061 38.000 0.057 0.000 1.289 129 I HN 0.829 nan 8.210 nan 0.000 0.441 130 E N 6.891 127.152 120.200 0.102 0.000 2.256 130 E HA 0.809 5.159 4.350 -0.000 0.000 0.267 130 E C -1.618 175.057 176.600 0.124 0.000 0.892 130 E CA -0.802 55.672 56.400 0.123 0.000 0.775 130 E CB 2.121 31.941 29.700 0.200 0.000 1.207 130 E HN 0.332 nan 8.360 nan 0.000 0.420 131 L N 2.177 123.441 121.223 0.068 0.000 2.439 131 L HA 0.528 4.868 4.340 -0.000 0.000 0.270 131 L C -1.062 175.784 176.870 -0.041 0.000 0.972 131 L CA -0.467 54.402 54.840 0.049 0.000 0.836 131 L CB 1.607 43.657 42.059 -0.014 0.000 1.255 131 L HN 0.643 nan 8.230 nan 0.000 0.404 132 H N -1.049 118.047 119.070 0.042 0.000 2.894 132 H HA 0.553 5.109 4.556 -0.000 0.000 0.368 132 H C -0.605 174.682 175.328 -0.068 0.000 1.181 132 H CA -0.938 55.099 56.048 -0.017 0.000 1.146 132 H CB 1.228 30.874 29.762 -0.193 0.000 1.839 132 H HN 0.721 nan 8.280 nan 0.000 0.557 133 H N -0.025 119.166 119.070 0.201 0.000 2.983 133 H HA 0.028 4.584 4.556 -0.000 0.000 0.361 133 H C -2.070 173.283 175.328 0.042 0.000 1.145 133 H CA -1.375 54.745 56.048 0.119 0.000 1.404 133 H CB 0.141 30.007 29.762 0.174 0.000 1.356 133 H HN 0.392 nan 8.280 nan 0.000 0.612 134 P HA 0.009 nan 4.420 nan 0.000 0.256 134 P C -0.166 176.974 177.300 -0.266 0.000 1.384 134 P CA 0.552 63.533 63.100 -0.198 0.000 0.879 134 P CB 0.089 31.663 31.700 -0.209 0.000 1.403 135 H N -1.065 118.162 119.070 0.262 0.000 2.520 135 H HA 0.226 4.782 4.556 -0.000 0.000 0.284 135 H C 0.537 175.976 175.328 0.185 0.000 1.037 135 H CA -0.217 55.974 56.048 0.240 0.000 1.168 135 H CB 0.595 30.518 29.762 0.267 0.000 1.497 135 H HN 0.211 nan 8.280 nan 0.000 0.547 136 K N 1.122 121.543 120.400 0.034 0.000 2.234 136 K HA 0.366 4.686 4.320 -0.000 0.000 0.282 136 K C 0.875 177.459 176.600 -0.026 0.000 1.039 136 K CA -0.110 56.146 56.287 -0.050 0.000 0.928 136 K CB 1.109 33.416 32.500 -0.322 0.000 1.039 136 K HN 0.067 nan 8.250 nan 0.000 0.470 137 A N 3.857 126.679 122.820 0.004 0.000 2.021 137 A HA -0.028 4.292 4.320 -0.000 0.000 0.216 137 A C -0.024 177.546 177.584 -0.024 0.000 1.163 137 A CA 0.981 53.019 52.037 0.002 0.000 0.676 137 A CB -0.140 18.872 19.000 0.021 0.000 0.818 137 A HN 0.869 nan 8.150 nan 0.000 0.453 138 D N -0.691 119.680 120.400 -0.050 0.000 2.375 138 D HA 0.586 5.226 4.640 -0.000 0.000 0.247 138 D C -0.775 175.478 176.300 -0.077 0.000 1.061 138 D CA -0.140 53.828 54.000 -0.053 0.000 0.834 138 D CB 1.671 42.444 40.800 -0.045 0.000 1.247 138 D HN 0.158 nan 8.370 nan 0.000 0.489 139 A N 3.156 125.944 122.820 -0.053 0.000 2.359 139 A HA 0.650 4.970 4.320 -0.000 0.000 0.303 139 A C -2.452 175.113 177.584 -0.032 0.000 1.066 139 A CA -1.060 50.949 52.037 -0.047 0.000 0.730 139 A CB 1.010 19.990 19.000 -0.033 0.000 1.211 139 A HN 0.560 nan 8.150 nan 0.000 0.439 140 P HA 0.382 nan 4.420 nan 0.000 0.274 140 P C 0.377 177.646 177.300 -0.051 0.000 1.256 140 P CA -0.246 62.837 63.100 -0.027 0.000 0.795 140 P CB 0.584 32.277 31.700 -0.012 0.000 1.038 141 S N -1.031 114.626 115.700 -0.072 0.000 2.569 141 S HA 0.141 4.611 4.470 -0.000 0.000 0.274 141 S C 1.660 176.249 174.600 -0.018 0.000 1.353 141 S CA 0.026 58.168 58.200 -0.097 0.000 1.023 141 S CB 0.061 63.191 63.200 -0.116 0.000 0.876 141 S HN 0.671 nan 8.310 nan 0.000 0.540 142 G N 1.231 110.026 108.800 -0.009 0.000 2.446 142 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.217 142 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.217 142 G C 1.298 176.221 174.900 0.038 0.000 1.168 142 G CA 1.284 46.393 45.100 0.015 0.000 0.771 142 G HN 0.770 nan 8.290 nan 0.000 0.551 143 T N 1.686 116.279 114.554 0.065 0.000 2.684 143 T HA -0.043 4.307 4.350 -0.000 0.000 0.267 143 T C 2.822 177.566 174.700 0.074 0.000 1.036 143 T CA 1.766 63.917 62.100 0.085 0.000 1.148 143 T CB -0.474 68.475 68.868 0.134 0.000 0.863 143 T HN 0.403 nan 8.240 nan 0.000 0.436 144 A N 1.582 124.449 122.820 0.079 0.000 1.865 144 A HA 0.097 4.417 4.320 -0.000 0.000 0.217 144 A C 2.688 180.290 177.584 0.030 0.000 1.191 144 A CA 2.056 54.129 52.037 0.060 0.000 0.623 144 A CB -1.294 17.747 19.000 0.068 0.000 0.826 144 A HN 0.518 nan 8.150 nan 0.000 0.444 145 A N -0.316 122.516 122.820 0.020 0.000 1.883 145 A HA -0.228 4.091 4.320 -0.000 0.000 0.217 145 A C 2.306 179.900 177.584 0.017 0.000 1.186 145 A CA 1.977 54.020 52.037 0.009 0.000 0.624 145 A CB -0.585 18.417 19.000 0.003 0.000 0.822 145 A HN 0.568 nan 8.150 nan 0.000 0.444 146 R N -0.862 119.653 120.500 0.025 0.000 2.096 146 R HA -0.118 4.222 4.340 -0.000 0.000 0.235 146 R C 1.964 178.285 176.300 0.034 0.000 1.127 146 R CA 1.977 58.094 56.100 0.029 0.000 0.968 146 R CB -0.575 29.745 30.300 0.033 0.000 0.861 146 R HN 0.507 nan 8.270 nan 0.000 0.440 147 T N 0.596 115.174 114.554 0.039 0.000 2.777 147 T HA -0.030 4.320 4.350 -0.000 0.000 0.266 147 T C 1.838 176.563 174.700 0.042 0.000 1.040 147 T CA 1.219 63.347 62.100 0.046 0.000 1.141 147 T CB -0.201 68.696 68.868 0.049 0.000 0.868 147 T HN 0.435 nan 8.240 nan 0.000 0.444 148 A N 2.013 124.847 122.820 0.024 0.000 1.933 148 A HA -0.118 4.202 4.320 -0.000 0.000 0.218 148 A C 2.242 179.841 177.584 0.025 0.000 1.175 148 A CA 1.348 53.393 52.037 0.014 0.000 0.628 148 A CB -0.363 18.632 19.000 -0.008 0.000 0.814 148 A HN 0.460 nan 8.150 nan 0.000 0.444 149 K N -0.377 120.037 120.400 0.024 0.000 2.103 149 K HA 0.042 4.362 4.320 -0.000 0.000 0.204 149 K C 1.843 178.463 176.600 0.033 0.000 1.052 149 K CA 1.038 57.339 56.287 0.024 0.000 0.945 149 K CB -0.354 32.157 32.500 0.019 0.000 0.722 149 K HN 0.438 nan 8.250 nan 0.000 0.443 150 L N 1.037 122.285 121.223 0.042 0.000 2.046 150 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 150 L C 2.414 179.323 176.870 0.065 0.000 1.077 150 L CA 1.174 56.045 54.840 0.051 0.000 0.747 150 L CB -0.351 41.743 42.059 0.058 0.000 0.896 150 L HN 0.162 nan 8.230 nan 0.000 0.432 151 I N -0.399 120.223 120.570 0.088 0.000 2.179 151 I HA -0.302 3.868 4.170 -0.000 0.000 0.242 151 I C 2.778 178.949 176.117 0.090 0.000 1.088 151 I CA 1.229 62.605 61.300 0.127 0.000 1.357 151 I CB -0.422 37.670 38.000 0.154 0.000 1.051 151 I HN 0.215 nan 8.210 nan 0.000 0.409 152 A N 0.368 123.224 122.820 0.060 0.000 1.877 152 A HA -0.272 4.048 4.320 -0.000 0.000 0.216 152 A C 2.200 179.801 177.584 0.029 0.000 1.186 152 A CA 2.063 54.124 52.037 0.041 0.000 0.620 152 A CB -0.587 18.429 19.000 0.027 0.000 0.822 152 A HN 0.410 nan 8.150 nan 0.000 0.443 153 E N 0.435 120.651 120.200 0.027 0.000 2.058 153 E HA -0.112 4.238 4.350 -0.000 0.000 0.194 153 E C 1.977 178.582 176.600 0.008 0.000 0.997 153 E CA 1.765 58.175 56.400 0.016 0.000 0.801 153 E CB -0.548 29.163 29.700 0.018 0.000 0.746 153 E HN 0.466 nan 8.360 nan 0.000 0.450 154 A N 0.292 123.121 122.820 0.014 0.000 2.019 154 A HA -0.131 4.189 4.320 -0.000 0.000 0.219 154 A C 2.046 179.612 177.584 -0.030 0.000 1.164 154 A CA 1.577 53.610 52.037 -0.007 0.000 0.644 154 A CB -0.371 18.632 19.000 0.005 0.000 0.805 154 A HN 0.198 nan 8.150 nan 0.000 0.449 155 R N -0.579 119.919 120.500 -0.004 0.000 2.359 155 R HA 0.119 4.459 4.340 -0.000 0.000 0.231 155 R C 0.390 176.682 176.300 -0.012 0.000 0.913 155 R CA -0.217 55.878 56.100 -0.009 0.000 1.075 155 R CB 0.068 30.388 30.300 0.034 0.000 1.087 155 R HN 0.314 nan 8.270 nan 0.000 0.515 156 K N 0.760 121.153 120.400 -0.013 0.000 2.530 156 K HA -0.111 4.209 4.320 -0.000 0.000 0.280 156 K C 0.677 177.265 176.600 -0.021 0.000 1.004 156 K CA 1.393 57.672 56.287 -0.012 0.000 1.071 156 K CB 0.275 32.768 32.500 -0.011 0.000 0.876 156 K HN 0.430 nan 8.250 nan 0.000 0.487 157 G N 2.997 111.788 108.800 -0.015 0.000 2.179 157 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.260 157 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.260 157 G C 0.032 174.920 174.900 -0.021 0.000 0.977 157 G CA 0.236 45.326 45.100 -0.018 0.000 0.641 157 G HN 0.498 nan 8.290 nan 0.000 0.533 158 L N 0.778 121.989 121.223 -0.019 0.000 2.352 158 L HA 0.546 4.886 4.340 -0.000 0.000 0.269 158 L C -1.452 175.418 176.870 -0.000 0.000 1.034 158 L CA -2.293 52.538 54.840 -0.016 0.000 0.806 158 L CB 0.923 42.969 42.059 -0.021 0.000 1.244 158 L HN -0.094 nan 8.230 nan 0.000 0.447 159 P HA 0.141 nan 4.420 nan 0.000 0.270 159 P C -2.473 174.839 177.300 0.021 0.000 1.223 159 P CA -0.756 62.351 63.100 0.012 0.000 0.785 159 P CB -0.399 31.310 31.700 0.015 0.000 0.923 160 P HA 0.070 nan 4.420 nan 0.000 0.272 160 P C -0.447 176.874 177.300 0.036 0.000 1.240 160 P CA -0.191 62.925 63.100 0.026 0.000 0.791 160 P CB 0.278 31.989 31.700 0.019 0.000 0.978 161 N N 1.641 120.366 118.700 0.042 0.000 2.292 161 N HA 0.023 4.763 4.740 -0.000 0.000 0.258 161 N C -1.935 173.600 175.510 0.042 0.000 1.261 161 N CA -0.300 52.780 53.050 0.051 0.000 0.845 161 N CB -1.002 37.513 38.487 0.047 0.000 1.064 161 N HN 0.351 nan 8.380 nan 0.000 0.471 162 P HA 0.179 nan 4.420 nan 0.000 0.271 162 P C -0.697 176.624 177.300 0.035 0.000 1.218 162 P CA 0.124 63.246 63.100 0.037 0.000 0.780 162 P CB 0.728 32.452 31.700 0.040 0.000 0.901 163 D N 0.963 121.380 120.400 0.028 0.000 2.369 163 D HA 0.294 4.934 4.640 -0.000 0.000 0.212 163 D C -0.286 176.026 176.300 0.021 0.000 1.326 163 D CA -0.487 53.529 54.000 0.026 0.000 0.933 163 D CB 0.674 41.490 40.800 0.027 0.000 1.516 163 D HN 0.213 nan 8.370 nan 0.000 0.557 164 A N 2.600 125.431 122.820 0.020 0.000 2.337 164 A HA 0.230 4.550 4.320 -0.000 0.000 0.227 164 A C 0.780 178.372 177.584 0.014 0.000 1.259 164 A CA 0.026 52.073 52.037 0.016 0.000 0.870 164 A CB -0.248 18.761 19.000 0.015 0.000 0.927 164 A HN 0.433 nan 8.150 nan 0.000 0.497 165 T N 1.785 116.348 114.554 0.016 0.000 2.750 165 T HA 0.132 4.481 4.350 -0.000 0.000 0.277 165 T C 1.438 176.145 174.700 0.012 0.000 0.996 165 T CA 1.004 63.113 62.100 0.015 0.000 1.195 165 T CB 0.370 69.249 68.868 0.018 0.000 0.963 165 T HN 0.641 nan 8.240 nan 0.000 0.516 166 S N 1.205 116.911 115.700 0.010 0.000 2.575 166 S HA 0.168 4.638 4.470 -0.000 0.000 0.230 166 S C 0.813 175.418 174.600 0.008 0.000 1.062 166 S CA -0.109 58.096 58.200 0.009 0.000 0.913 166 S CB 0.392 63.596 63.200 0.008 0.000 0.837 166 S HN 0.770 nan 8.310 nan 0.000 0.487 167 T N 1.065 115.624 114.554 0.008 0.000 2.879 167 T HA 0.747 5.097 4.350 -0.000 0.000 0.290 167 T C -0.697 174.008 174.700 0.008 0.000 0.993 167 T CA -0.247 61.857 62.100 0.007 0.000 0.975 167 T CB 1.766 70.637 68.868 0.006 0.000 0.981 167 T HN 0.562 nan 8.240 nan 0.000 0.439 168 S N 3.026 118.731 115.700 0.009 0.000 2.579 168 S HA 0.725 5.195 4.470 -0.000 0.000 0.272 168 S C -0.871 173.734 174.600 0.009 0.000 1.141 168 S CA -1.214 56.992 58.200 0.010 0.000 0.843 168 S CB 1.015 64.224 63.200 0.014 0.000 1.122 168 S HN 0.802 nan 8.310 nan 0.000 0.468 169 L N 2.074 123.303 121.223 0.010 0.000 2.371 169 L HA 0.470 4.810 4.340 -0.000 0.000 0.272 169 L C -2.039 174.839 176.870 0.012 0.000 1.124 169 L CA -2.011 52.834 54.840 0.009 0.000 0.816 169 L CB 0.371 42.434 42.059 0.007 0.000 1.129 169 L HN 0.532 nan 8.230 nan 0.000 0.448 170 P HA 0.071 nan 4.420 nan 0.000 0.267 170 P C 0.721 178.030 177.300 0.015 0.000 1.205 170 P CA 0.479 63.585 63.100 0.011 0.000 0.765 170 P CB 1.059 32.763 31.700 0.007 0.000 0.828 171 G N 2.605 111.416 108.800 0.018 0.000 2.213 171 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.236 171 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.236 171 G C 1.128 176.058 174.900 0.051 0.000 0.991 171 G CA 0.521 45.636 45.100 0.026 0.000 0.629 171 G HN 0.698 nan 8.290 nan 0.000 0.517 172 A N 0.146 122.995 122.820 0.048 0.000 1.940 172 A HA 0.067 4.386 4.320 -0.000 0.000 0.219 172 A C 2.142 179.799 177.584 0.122 0.000 1.176 172 A CA 2.023 54.097 52.037 0.061 0.000 0.631 172 A CB -0.295 18.726 19.000 0.035 0.000 0.814 172 A HN 0.328 nan 8.150 nan 0.000 0.446 173 R N -0.454 120.112 120.500 0.109 0.000 2.320 173 R HA 0.240 4.580 4.340 -0.000 0.000 0.211 173 R C 1.037 177.384 176.300 0.079 0.000 0.931 173 R CA 0.659 56.848 56.100 0.147 0.000 1.071 173 R CB -1.127 29.214 30.300 0.068 0.000 1.025 173 R HN 0.736 nan 8.270 nan 0.000 0.495 174 G N 0.289 109.114 108.800 0.043 0.000 2.725 174 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.220 174 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.220 174 G C -0.636 174.181 174.900 -0.138 0.000 1.357 174 G CA -0.449 44.547 45.100 -0.174 0.000 0.866 174 G HN 0.408 nan 8.290 nan 0.000 0.548 175 A N -0.154 122.571 122.820 -0.158 0.000 2.366 175 A HA 0.570 4.890 4.320 -0.000 0.000 0.272 175 A C 0.246 177.765 177.584 -0.107 0.000 1.135 175 A CA 0.834 52.812 52.037 -0.098 0.000 0.804 175 A CB 0.752 19.709 19.000 -0.073 0.000 1.064 175 A HN 1.249 nan 8.150 nan 0.000 0.499 176 D N 2.414 122.774 120.400 -0.068 0.000 2.365 176 D HA 0.347 4.987 4.640 -0.000 0.000 0.237 176 D C -0.764 175.512 176.300 -0.040 0.000 1.190 176 D CA 0.136 54.104 54.000 -0.054 0.000 0.867 176 D CB 0.543 41.323 40.800 -0.034 0.000 1.050 176 D HN 0.106 nan 8.370 nan 0.000 0.491 177 V N 4.843 124.732 119.914 -0.042 0.000 2.277 177 V HA 0.180 4.300 4.120 -0.000 0.000 0.269 177 V C -0.128 175.957 176.094 -0.015 0.000 1.036 177 V CA -0.720 61.565 62.300 -0.026 0.000 0.821 177 V CB 0.932 32.739 31.823 -0.026 0.000 1.052 177 V HN 0.644 nan 8.190 nan 0.000 0.462 178 D N 4.385 124.780 120.400 -0.009 0.000 2.772 178 D HA -0.195 4.445 4.640 -0.000 0.000 0.233 178 D C 1.357 177.657 176.300 0.001 0.000 1.143 178 D CA 1.800 55.799 54.000 -0.001 0.000 0.700 178 D CB -1.191 39.612 40.800 0.005 0.000 1.076 178 D HN 1.253 nan 8.370 nan 0.000 0.430 179 G N -1.425 107.372 108.800 -0.005 0.000 2.175 179 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.244 179 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.244 179 G C 0.163 175.061 174.900 -0.004 0.000 0.982 179 G CA 0.181 45.281 45.100 -0.002 0.000 0.641 179 G HN 0.444 nan 8.290 nan 0.000 0.527 180 I N 1.887 122.449 120.570 -0.014 0.000 2.330 180 I HA 0.345 4.515 4.170 -0.000 0.000 0.289 180 I C -2.234 173.843 176.117 -0.066 0.000 1.001 180 I CA -3.132 58.153 61.300 -0.025 0.000 1.193 180 I CB 1.066 39.058 38.000 -0.014 0.000 1.345 180 I HN -0.172 nan 8.210 nan 0.000 0.461 181 P HA 0.141 nan 4.420 nan 0.000 0.268 181 P C -0.620 176.517 177.300 -0.273 0.000 1.204 181 P CA 0.018 62.999 63.100 -0.200 0.000 0.768 181 P CB 0.771 32.366 31.700 -0.175 0.000 0.842 182 V N 4.484 124.184 119.914 -0.356 0.000 2.525 182 V HA 0.294 4.414 4.120 -0.000 0.000 0.299 182 V C -0.299 175.582 176.094 -0.356 0.000 1.034 182 V CA -0.553 61.586 62.300 -0.268 0.000 0.863 182 V CB 1.352 33.107 31.823 -0.114 0.000 0.999 182 V HN 0.583 nan 8.190 nan 0.000 0.423 183 H N 3.249 122.316 119.070 -0.006 0.000 2.466 183 H HA 0.750 5.306 4.556 -0.000 0.000 0.338 183 H C -0.153 175.181 175.328 0.011 0.000 1.091 183 H CA -0.444 55.602 56.048 -0.003 0.000 1.207 183 H CB 2.336 32.092 29.762 -0.010 0.000 1.466 183 H HN 0.750 nan 8.280 nan 0.000 0.493 184 A N 3.926 126.816 122.820 0.117 0.000 2.285 184 A HA 0.464 4.784 4.320 -0.000 0.000 0.310 184 A C -0.329 177.297 177.584 0.070 0.000 1.266 184 A CA -0.617 51.471 52.037 0.086 0.000 0.832 184 A CB 0.502 19.529 19.000 0.045 0.000 1.163 184 A HN 0.416 nan 8.150 nan 0.000 0.499 185 V N 3.701 123.658 119.914 0.072 0.000 2.481 185 V HA 0.511 4.631 4.120 -0.000 0.000 0.286 185 V C -0.083 176.034 176.094 0.038 0.000 1.042 185 V CA -0.603 61.719 62.300 0.037 0.000 0.928 185 V CB 1.386 33.218 31.823 0.015 0.000 0.986 185 V HN 0.797 nan 8.190 nan 0.000 0.462 186 R N 4.377 124.882 120.500 0.009 0.000 2.412 186 R HA 0.602 4.942 4.340 -0.000 0.000 0.304 186 R C -1.532 174.757 176.300 -0.019 0.000 1.066 186 R CA -0.531 55.563 56.100 -0.010 0.000 0.923 186 R CB 1.409 31.689 30.300 -0.033 0.000 1.156 186 R HN 0.570 nan 8.270 nan 0.000 0.513 187 L N 1.498 122.716 121.223 -0.008 0.000 2.438 187 L HA 0.582 4.922 4.340 -0.000 0.000 0.270 187 L C -0.271 176.604 176.870 0.008 0.000 0.972 187 L CA -0.455 54.379 54.840 -0.010 0.000 0.831 187 L CB 2.004 44.052 42.059 -0.020 0.000 1.273 187 L HN 0.723 nan 8.230 nan 0.000 0.405 188 A N 3.056 125.875 122.820 -0.003 0.000 2.531 188 A HA 0.459 4.779 4.320 -0.000 0.000 0.236 188 A C 1.322 178.928 177.584 0.037 0.000 1.062 188 A CA 0.829 52.878 52.037 0.021 0.000 0.760 188 A CB -0.320 18.686 19.000 0.010 0.000 0.995 188 A HN 1.795 nan 8.150 nan 0.000 0.501 189 G N 0.547 109.388 108.800 0.069 0.000 2.175 189 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.244 189 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.244 189 G C 0.132 175.079 174.900 0.079 0.000 0.982 189 G CA 0.386 45.522 45.100 0.059 0.000 0.641 189 G HN 0.757 nan 8.290 nan 0.000 0.527 190 L N -0.411 120.882 121.223 0.117 0.000 2.416 190 L HA 0.727 5.067 4.340 -0.000 0.000 0.263 190 L C 1.528 178.580 176.870 0.303 0.000 1.065 190 L CA -0.973 53.993 54.840 0.210 0.000 0.798 190 L CB 1.459 43.595 42.059 0.129 0.000 1.267 190 L HN -0.020 nan 8.230 nan 0.000 0.467 191 V N -0.659 119.480 119.914 0.376 0.000 4.255 191 V HA 0.482 4.602 4.120 -0.000 0.000 0.186 191 V C -0.141 175.964 176.094 0.017 0.000 1.068 191 V CA 0.097 62.480 62.300 0.138 0.000 1.418 191 V CB 0.721 32.519 31.823 -0.042 0.000 1.876 191 V HN 0.733 nan 8.190 nan 0.000 0.469 192 A N 0.376 122.905 122.820 -0.486 0.000 2.353 192 A HA 0.783 5.103 4.320 -0.000 0.000 0.299 192 A C -1.050 175.950 177.584 -0.973 0.000 1.089 192 A CA -0.331 51.318 52.037 -0.647 0.000 0.736 192 A CB 0.598 19.495 19.000 -0.172 0.000 1.195 192 A HN 0.695 nan 8.150 nan 0.000 0.447 193 H N 1.077 119.857 119.070 -0.483 0.000 2.894 193 H HA 0.552 5.108 4.556 -0.000 0.000 0.367 193 H C -1.207 174.021 175.328 -0.166 0.000 1.144 193 H CA -0.458 55.432 56.048 -0.263 0.000 1.180 193 H CB 2.176 31.824 29.762 -0.190 0.000 1.758 193 H HN 0.767 nan 8.280 nan 0.000 0.541 194 Q N 1.585 121.417 119.800 0.054 0.000 2.315 194 Q HA 0.315 4.655 4.340 -0.000 0.000 0.273 194 Q C -1.536 174.515 176.000 0.084 0.000 1.053 194 Q CA -0.532 55.322 55.803 0.085 0.000 0.817 194 Q CB 2.987 31.801 28.738 0.127 0.000 1.326 194 Q HN 0.705 nan 8.270 nan 0.000 0.423 195 E N 2.405 122.636 120.200 0.051 0.000 2.224 195 E HA 0.451 4.801 4.350 -0.000 0.000 0.265 195 E C -1.560 175.026 176.600 -0.024 0.000 0.878 195 E CA -0.658 55.755 56.400 0.022 0.000 0.759 195 E CB 2.015 31.718 29.700 0.004 0.000 1.164 195 E HN 0.397 nan 8.360 nan 0.000 0.414 196 V N 5.188 125.066 119.914 -0.059 0.000 2.398 196 V HA 0.367 4.487 4.120 -0.000 0.000 0.286 196 V C -0.602 175.286 176.094 -0.345 0.000 1.026 196 V CA -0.764 61.407 62.300 -0.215 0.000 0.868 196 V CB 1.075 32.782 31.823 -0.195 0.000 0.982 196 V HN 0.535 nan 8.190 nan 0.000 0.443 197 L N 5.915 126.863 121.223 -0.459 0.000 2.313 197 L HA 0.623 4.963 4.340 -0.000 0.000 0.283 197 L C -0.639 175.867 176.870 -0.607 0.000 1.013 197 L CA 0.227 54.839 54.840 -0.379 0.000 0.816 197 L CB 1.136 43.083 42.059 -0.187 0.000 1.236 197 L HN 0.424 nan 8.230 nan 0.000 0.419 198 F N 0.976 120.779 119.950 -0.246 0.000 2.520 198 F HA 0.823 5.350 4.527 -0.000 0.000 0.322 198 F C 0.664 176.272 175.800 -0.320 0.000 1.103 198 F CA -0.724 57.028 58.000 -0.414 0.000 0.926 198 F CB 2.478 40.850 39.000 -1.047 0.000 1.154 198 F HN 0.465 nan 8.300 nan 0.000 0.453 199 G N 0.697 109.591 108.800 0.156 0.000 2.731 199 G HA2 0.535 4.495 3.960 -0.000 0.000 0.298 199 G HA3 0.535 4.495 3.960 -0.000 0.000 0.298 199 G C -1.719 173.408 174.900 0.377 0.000 1.424 199 G CA -0.702 44.542 45.100 0.241 0.000 1.029 199 G HN 0.663 nan 8.290 nan 0.000 0.518 200 T N -0.406 114.375 114.554 0.378 0.000 2.883 200 T HA 0.534 4.884 4.350 -0.000 0.000 0.296 200 T C -0.433 174.356 174.700 0.148 0.000 1.117 200 T CA -0.562 61.673 62.100 0.226 0.000 1.006 200 T CB 1.834 70.803 68.868 0.168 0.000 1.191 200 T HN 0.635 nan 8.240 nan 0.000 0.508 201 E N 0.560 120.817 120.200 0.095 0.000 2.652 201 E HA 0.251 4.601 4.350 -0.000 0.000 0.255 201 E C 1.226 177.865 176.600 0.065 0.000 0.952 201 E CA 1.580 58.020 56.400 0.068 0.000 0.947 201 E CB -0.407 29.320 29.700 0.046 0.000 0.912 201 E HN 1.120 nan 8.360 nan 0.000 0.489 202 G N 3.630 112.466 108.800 0.061 0.000 2.241 202 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.244 202 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.244 202 G C -0.201 174.743 174.900 0.073 0.000 0.998 202 G CA 0.473 45.605 45.100 0.054 0.000 0.621 202 G HN 0.715 nan 8.290 nan 0.000 0.519 203 E N -0.928 119.340 120.200 0.114 0.000 2.388 203 E HA 0.615 4.965 4.350 -0.000 0.000 0.280 203 E C -0.670 176.055 176.600 0.208 0.000 1.019 203 E CA -0.440 56.050 56.400 0.150 0.000 0.806 203 E CB 1.216 31.010 29.700 0.157 0.000 1.246 203 E HN 0.664 nan 8.360 nan 0.000 0.443 204 T N -0.045 114.599 114.554 0.149 0.000 2.906 204 T HA 0.703 5.053 4.350 -0.000 0.000 0.295 204 T C -1.129 173.598 174.700 0.045 0.000 1.061 204 T CA -0.945 61.212 62.100 0.094 0.000 1.000 204 T CB 1.615 70.510 68.868 0.045 0.000 1.103 204 T HN 0.470 nan 8.240 nan 0.000 0.486 205 L N 1.363 122.546 121.223 -0.067 0.000 2.438 205 L HA 0.748 5.088 4.340 -0.000 0.000 0.270 205 L C -0.945 175.919 176.870 -0.011 0.000 0.972 205 L CA -0.037 54.771 54.840 -0.053 0.000 0.831 205 L CB 2.269 44.227 42.059 -0.167 0.000 1.273 205 L HN 1.000 nan 8.230 nan 0.000 0.405 206 T N 5.965 120.531 114.554 0.020 0.000 2.861 206 T HA 0.675 5.025 4.350 -0.000 0.000 0.287 206 T C -0.532 174.208 174.700 0.067 0.000 1.003 206 T CA -0.154 61.956 62.100 0.016 0.000 0.977 206 T CB 1.279 70.144 68.868 -0.004 0.000 0.996 206 T HN 0.413 nan 8.240 nan 0.000 0.448 207 I N 2.897 123.519 120.570 0.086 0.000 2.382 207 I HA 0.556 4.726 4.170 -0.000 0.000 0.286 207 I C -0.177 176.008 176.117 0.112 0.000 1.002 207 I CA -0.805 60.579 61.300 0.141 0.000 1.135 207 I CB 1.529 39.667 38.000 0.230 0.000 1.288 207 I HN 0.289 nan 8.210 nan 0.000 0.448 208 R N 5.745 126.317 120.500 0.120 0.000 2.437 208 R HA 0.415 4.755 4.340 -0.000 0.000 0.310 208 R C -1.302 175.099 176.300 0.168 0.000 0.955 208 R CA -0.443 55.723 56.100 0.111 0.000 0.851 208 R CB 0.755 31.096 30.300 0.068 0.000 1.161 208 R HN 0.625 nan 8.270 nan 0.000 0.446 209 H N 3.487 122.589 119.070 0.053 0.000 2.489 209 H HA 0.392 4.948 4.556 -0.000 0.000 0.343 209 H C -1.294 174.048 175.328 0.024 0.000 1.086 209 H CA -0.715 55.354 56.048 0.035 0.000 1.198 209 H CB 1.457 31.233 29.762 0.023 0.000 1.490 209 H HN 0.630 nan 8.280 nan 0.000 0.504 210 D N 3.546 123.677 120.400 -0.449 0.000 2.492 210 D HA 0.077 4.717 4.640 -0.000 0.000 0.248 210 D C -0.886 175.047 176.300 -0.613 0.000 1.101 210 D CA -0.341 53.433 54.000 -0.378 0.000 0.840 210 D CB 2.321 43.108 40.800 -0.021 0.000 1.209 210 D HN 0.313 nan 8.370 nan 0.000 0.524 211 S N 2.365 117.660 115.700 -0.675 0.000 2.498 211 S HA 0.326 4.796 4.470 -0.000 0.000 0.324 211 S C 0.775 175.156 174.600 -0.365 0.000 1.071 211 S CA -0.483 57.424 58.200 -0.489 0.000 1.113 211 S CB 0.395 63.359 63.200 -0.394 0.000 0.976 211 S HN 0.328 nan 8.310 nan 0.000 0.462 212 L N 3.248 124.325 121.223 -0.244 0.000 2.515 212 L HA 0.536 4.876 4.340 -0.000 0.000 0.223 212 L C 0.414 177.212 176.870 -0.120 0.000 1.079 212 L CA 0.301 55.050 54.840 -0.151 0.000 0.857 212 L CB 0.251 42.257 42.059 -0.089 0.000 1.050 212 L HN 0.459 nan 8.230 nan 0.000 0.476 213 D N -1.899 118.409 120.400 -0.154 0.000 2.599 213 D HA 0.272 4.912 4.640 -0.000 0.000 0.252 213 D C 0.217 176.405 176.300 -0.187 0.000 1.232 213 D CA -0.551 53.373 54.000 -0.126 0.000 0.819 213 D CB 1.811 42.548 40.800 -0.104 0.000 1.401 213 D HN -0.237 nan 8.370 nan 0.000 0.429 214 R N -0.650 119.791 120.500 -0.098 0.000 2.280 214 R HA -0.025 4.315 4.340 -0.000 0.000 0.207 214 R C 1.741 177.992 176.300 -0.082 0.000 1.043 214 R CA 1.244 57.319 56.100 -0.042 0.000 1.006 214 R CB -0.040 30.321 30.300 0.101 0.000 0.885 214 R HN 0.491 nan 8.270 nan 0.000 0.467 215 T N -1.560 112.932 114.554 -0.103 0.000 3.007 215 T HA -0.135 4.215 4.350 -0.000 0.000 0.270 215 T C 1.956 176.582 174.700 -0.124 0.000 1.107 215 T CA 1.217 63.269 62.100 -0.081 0.000 1.118 215 T CB -0.216 68.616 68.868 -0.059 0.000 0.889 215 T HN 0.245 nan 8.240 nan 0.000 0.506 216 S N 1.453 116.996 115.700 -0.261 0.000 2.423 216 S HA -0.137 4.333 4.470 -0.000 0.000 0.238 216 S C 1.528 175.967 174.600 -0.268 0.000 1.028 216 S CA 0.967 58.975 58.200 -0.321 0.000 1.000 216 S CB -1.283 61.623 63.200 -0.490 0.000 0.797 216 S HN 0.682 nan 8.310 nan 0.000 0.487 217 F N 0.793 120.767 119.950 0.040 0.000 2.743 217 F HA 0.225 4.752 4.527 -0.000 0.000 0.297 217 F C 2.294 178.105 175.800 0.019 0.000 1.131 217 F CA -0.144 57.899 58.000 0.070 0.000 1.426 217 F CB -0.234 38.788 39.000 0.036 0.000 1.116 217 F HN 0.067 nan 8.300 nan 0.000 0.583 218 V N 1.447 121.424 119.914 0.104 0.000 2.223 218 V HA -0.215 3.905 4.120 -0.000 0.000 0.244 218 V C -0.238 175.886 176.094 0.051 0.000 1.045 218 V CA 2.035 64.360 62.300 0.042 0.000 1.000 218 V CB -1.631 30.195 31.823 0.006 0.000 0.635 218 V HN 0.162 nan 8.190 nan 0.000 0.445 219 P HA -0.126 nan 4.420 nan 0.000 0.216 219 P C 1.648 179.008 177.300 0.100 0.000 1.150 219 P CA 1.843 64.981 63.100 0.064 0.000 0.837 219 P CB -0.328 31.406 31.700 0.057 0.000 0.786 220 G N -0.372 108.530 108.800 0.169 0.000 2.421 220 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.216 220 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.216 220 G C 1.631 176.686 174.900 0.257 0.000 1.171 220 G CA 0.696 45.966 45.100 0.284 0.000 0.775 220 G HN 0.151 nan 8.290 nan 0.000 0.543 221 V N 0.964 120.896 119.914 0.030 0.000 2.343 221 V HA -0.091 4.029 4.120 -0.000 0.000 0.247 221 V C 2.890 178.942 176.094 -0.071 0.000 1.051 221 V CA 1.270 63.402 62.300 -0.280 0.000 1.036 221 V CB -0.366 31.255 31.823 -0.337 0.000 0.654 221 V HN 0.317 nan 8.190 nan 0.000 0.451 222 L N -0.792 120.426 121.223 -0.008 0.000 2.093 222 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 222 L C 2.455 179.342 176.870 0.028 0.000 1.085 222 L CA 1.197 56.042 54.840 0.009 0.000 0.755 222 L CB -0.557 41.510 42.059 0.014 0.000 0.904 222 L HN 0.370 nan 8.230 nan 0.000 0.435 223 L N 0.470 121.724 121.223 0.051 0.000 2.046 223 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 223 L C 2.629 179.537 176.870 0.063 0.000 1.077 223 L CA 2.010 56.884 54.840 0.057 0.000 0.747 223 L CB -0.670 41.432 42.059 0.072 0.000 0.896 223 L HN 0.115 nan 8.230 nan 0.000 0.432 224 A N -1.069 121.810 122.820 0.100 0.000 1.902 224 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 224 A C 2.271 179.887 177.584 0.052 0.000 1.181 224 A CA 1.937 54.042 52.037 0.114 0.000 0.623 224 A CB -1.114 18.038 19.000 0.253 0.000 0.818 224 A HN 0.315 nan 8.150 nan 0.000 0.443 225 V N 0.138 120.070 119.914 0.030 0.000 2.295 225 V HA -0.274 3.846 4.120 -0.000 0.000 0.246 225 V C 2.601 178.702 176.094 0.013 0.000 1.049 225 V CA 2.294 64.606 62.300 0.020 0.000 1.024 225 V CB -0.787 31.044 31.823 0.014 0.000 0.648 225 V HN 0.548 nan 8.190 nan 0.000 0.447 226 R N -0.330 120.178 120.500 0.014 0.000 2.189 226 R HA -0.015 4.325 4.340 -0.000 0.000 0.223 226 R C 2.009 178.305 176.300 -0.005 0.000 1.092 226 R CA 0.880 56.985 56.100 0.008 0.000 0.989 226 R CB -0.151 30.157 30.300 0.013 0.000 0.876 226 R HN 0.447 nan 8.270 nan 0.000 0.457 227 R N -0.189 120.307 120.500 -0.006 0.000 2.437 227 R HA 0.202 4.542 4.340 -0.000 0.000 0.257 227 R C 1.727 177.996 176.300 -0.051 0.000 0.927 227 R CA -0.097 55.990 56.100 -0.021 0.000 1.078 227 R CB 0.309 30.605 30.300 -0.006 0.000 1.161 227 R HN 0.191 nan 8.270 nan 0.000 0.529 228 I N 1.086 121.616 120.570 -0.068 0.000 2.286 228 I HA -0.213 3.957 4.170 -0.000 0.000 0.248 228 I C 1.998 177.963 176.117 -0.254 0.000 1.115 228 I CA 1.245 62.474 61.300 -0.119 0.000 1.392 228 I CB 0.041 37.991 38.000 -0.083 0.000 1.065 228 I HN 0.129 nan 8.210 nan 0.000 0.418 229 A N -0.178 122.441 122.820 -0.336 0.000 2.172 229 A HA -0.178 4.142 4.320 -0.000 0.000 0.216 229 A C 1.877 179.360 177.584 -0.169 0.000 1.154 229 A CA 1.136 52.942 52.037 -0.385 0.000 0.701 229 A CB -0.577 18.256 19.000 -0.278 0.000 0.789 229 A HN 0.564 nan 8.150 nan 0.000 0.465 230 E N -0.824 119.308 120.200 -0.114 0.000 2.502 230 E HA 0.069 4.419 4.350 -0.000 0.000 0.194 230 E C 0.178 176.745 176.600 -0.056 0.000 1.062 230 E CA 0.146 56.507 56.400 -0.065 0.000 0.867 230 E CB 0.130 29.803 29.700 -0.045 0.000 0.888 230 E HN 0.347 nan 8.360 nan 0.000 0.510 231 R N 1.235 121.693 120.500 -0.070 0.000 2.569 231 R HA 0.194 4.534 4.340 -0.000 0.000 0.293 231 R C -2.727 173.548 176.300 -0.043 0.000 1.186 231 R CA -1.847 54.223 56.100 -0.050 0.000 0.956 231 R CB 1.701 31.973 30.300 -0.047 0.000 1.196 231 R HN -0.036 nan 8.270 nan 0.000 0.444 232 P HA 0.074 nan 4.420 nan 0.000 0.270 232 P C 0.589 177.891 177.300 0.002 0.000 1.223 232 P CA 0.657 63.758 63.100 0.003 0.000 0.785 232 P CB 0.889 32.594 31.700 0.009 0.000 0.923 233 G N 1.030 109.844 108.800 0.025 0.000 2.528 233 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.262 233 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.262 233 G C -1.193 173.711 174.900 0.008 0.000 1.200 233 G CA 0.134 45.246 45.100 0.020 0.000 0.951 233 G HN 0.755 nan 8.290 nan 0.000 0.566 234 L N 0.942 122.151 121.223 -0.023 0.000 2.305 234 L HA 0.763 5.103 4.340 -0.000 0.000 0.284 234 L C 0.332 177.139 176.870 -0.105 0.000 1.013 234 L CA -0.070 54.735 54.840 -0.057 0.000 0.819 234 L CB 1.837 43.854 42.059 -0.070 0.000 1.227 234 L HN 0.763 nan 8.230 nan 0.000 0.417 235 T N 4.583 119.070 114.554 -0.111 0.000 2.794 235 T HA 0.569 4.919 4.350 -0.000 0.000 0.280 235 T C -0.596 173.982 174.700 -0.204 0.000 0.987 235 T CA -0.389 61.628 62.100 -0.138 0.000 0.993 235 T CB 1.407 70.220 68.868 -0.092 0.000 0.939 235 T HN 0.347 nan 8.240 nan 0.000 0.449 236 V N 3.141 122.895 119.914 -0.267 0.000 2.347 236 V HA 0.819 4.939 4.120 -0.000 0.000 0.280 236 V C 0.661 176.615 176.094 -0.232 0.000 1.021 236 V CA -0.174 61.925 62.300 -0.336 0.000 0.847 236 V CB 0.413 31.904 31.823 -0.554 0.000 0.990 236 V HN 1.294 nan 8.190 nan 0.000 0.444 237 G N 3.423 112.088 108.800 -0.224 0.000 2.629 237 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.686 237 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.686 237 G C -0.346 174.428 174.900 -0.210 0.000 1.232 237 G CA -0.144 44.829 45.100 -0.211 0.000 0.803 237 G HN 0.846 nan 8.290 nan 0.000 0.638 238 L N 0.481 121.567 121.223 -0.228 0.000 2.375 238 L HA 0.300 4.640 4.340 -0.000 0.000 0.215 238 L C 2.425 179.234 176.870 -0.101 0.000 1.108 238 L CA 2.254 57.005 54.840 -0.148 0.000 0.830 238 L CB -0.376 41.598 42.059 -0.142 0.000 0.959 238 L HN 0.727 nan 8.230 nan 0.000 0.457 239 E N 0.499 120.626 120.200 -0.121 0.000 2.114 239 E HA -0.220 4.130 4.350 -0.000 0.000 0.199 239 E C -0.710 175.819 176.600 -0.119 0.000 1.008 239 E CA 1.923 58.244 56.400 -0.132 0.000 0.810 239 E CB -1.959 27.658 29.700 -0.138 0.000 0.739 239 E HN 0.446 nan 8.360 nan 0.000 0.456 240 P HA -0.066 nan 4.420 nan 0.000 0.230 240 P C 0.724 177.989 177.300 -0.059 0.000 1.158 240 P CA 0.902 63.955 63.100 -0.079 0.000 0.769 240 P CB 0.107 31.762 31.700 -0.075 0.000 0.807 241 L N -1.685 119.510 121.223 -0.048 0.000 2.509 241 L HA 0.063 4.403 4.340 -0.000 0.000 0.222 241 L C 1.749 178.605 176.870 -0.022 0.000 1.123 241 L CA 0.562 55.389 54.840 -0.023 0.000 0.856 241 L CB -0.414 41.648 42.059 0.005 0.000 0.985 241 L HN -0.002 nan 8.230 nan 0.000 0.456 242 L N -0.893 120.303 121.223 -0.044 0.000 2.592 242 L HA 0.072 4.412 4.340 -0.000 0.000 0.227 242 L C 0.167 177.013 176.870 -0.040 0.000 1.127 242 L CA -0.121 54.694 54.840 -0.041 0.000 0.884 242 L CB -0.362 41.655 42.059 -0.070 0.000 1.065 242 L HN 0.167 nan 8.230 nan 0.000 0.457 243 D N 0.930 121.303 120.400 -0.045 0.000 2.904 243 D HA -0.217 4.423 4.640 -0.000 0.000 0.231 243 D C 0.534 176.817 176.300 -0.028 0.000 1.185 243 D CA 0.448 54.429 54.000 -0.031 0.000 0.783 243 D CB -0.739 40.055 40.800 -0.010 0.000 0.961 243 D HN 0.248 nan 8.370 nan 0.000 0.409 244 L N -0.029 121.151 121.223 -0.072 0.000 2.592 244 L HA 0.242 4.582 4.340 -0.000 0.000 0.227 244 L C 1.754 178.645 176.870 0.035 0.000 1.127 244 L CA 0.434 55.233 54.840 -0.068 0.000 0.884 244 L CB -0.580 41.255 42.059 -0.373 0.000 1.065 244 L HN 0.558 nan 8.230 nan 0.000 0.457 245 H N 0.000 119.084 119.070 0.024 0.000 2.539 245 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 245 H CA 0.000 56.078 56.048 0.050 0.000 1.023 245 H CB 0.000 29.783 29.762 0.036 0.000 1.292 245 H HN 0.000 nan 8.280 nan 0.000 0.496