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 2wke_1_D DATA FIRST_RESID 1 DATA SEQUENCE RLTELREDID AILEDPALEG AVSGVVVVDT ATGEELYSRD GGEQLLPASN DATA SEQUENCE MKLFTAAAAL EVLGADHSFG TEVAAESAPG RRGEVQDLYL VGRGDPTLSA DATA SEQUENCE EDLDAMAAEV AASGVRTVRG DLYADDTWFD SERLVDDWWP EDEPYAYSAQ DATA SEQUENCE ISALTVAHGE RFDTGVTEVS VTPAAEGEPA DVDLGAAEGY AELDNRAVTG DATA SEQUENCE AAGSANTLVI DRPVGTNTIA VTGSLPADAA PVTALRTVDE PAALAGHLFE DATA SEQUENCE EALESNGVTV KGDVGLGGVP ADWQDAEVLA DHTSAELSEI LVPFMKFSNN DATA SEQUENCE GHAEMLVKSI GQETAGAGTW DAGLVGVEEA LSGLGVDTAG LVLNDGSGLS DATA SEQUENCE RGNLVTADTV VDLLGQAGSA PWAQTWSASL PVAGESDPFV GGTLANRMRG DATA SEQUENCE TAAEGVVEAK TGTMSGVSAL SGYVPGPEGE LAFSIVNNGH SGPAPLAVQD DATA SEQUENCE AIAVRLAEYA GHQAPE 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 R HA 0.000 nan 4.340 nan 0.000 0.208 1 R C 0.000 176.422 176.300 0.204 0.000 0.893 1 R CA 0.000 56.146 56.100 0.077 0.000 0.921 1 R CB 0.000 30.302 30.300 0.003 0.000 0.687 2 L N 1.595 122.955 121.223 0.227 0.000 2.093 2 L HA -0.018 4.322 4.340 0.000 0.000 0.208 2 L C 1.201 178.161 176.870 0.149 0.000 1.085 2 L CA 2.274 57.274 54.840 0.266 0.000 0.755 2 L CB -0.633 41.564 42.059 0.231 0.000 0.904 2 L HN 0.191 nan 8.230 nan 0.000 0.435 3 T N -0.173 114.446 114.554 0.108 0.000 2.699 3 T HA -0.272 4.078 4.350 0.000 0.000 0.268 3 T C 1.706 176.454 174.700 0.080 0.000 1.036 3 T CA 2.030 64.178 62.100 0.079 0.000 1.147 3 T CB -0.074 68.828 68.868 0.057 0.000 0.862 3 T HN 0.440 nan 8.240 nan 0.000 0.446 4 E N 0.289 120.540 120.200 0.085 0.000 2.076 4 E HA -0.021 4.329 4.350 0.000 0.000 0.190 4 E C 2.146 178.792 176.600 0.076 0.000 0.979 4 E CA 0.331 56.774 56.400 0.072 0.000 0.807 4 E CB -0.205 29.532 29.700 0.062 0.000 0.761 4 E HN 0.319 nan 8.360 nan 0.000 0.454 5 L N 1.395 122.685 121.223 0.112 0.000 2.051 5 L HA -0.253 4.087 4.340 0.000 0.000 0.214 5 L C 2.418 179.295 176.870 0.013 0.000 1.076 5 L CA 1.970 56.847 54.840 0.062 0.000 0.758 5 L CB -0.332 41.750 42.059 0.038 0.000 0.890 5 L HN 0.034 nan 8.230 nan 0.000 0.433 6 R N -0.463 120.091 120.500 0.091 0.000 2.070 6 R HA -0.187 4.153 4.340 0.000 0.000 0.233 6 R C 2.290 178.678 176.300 0.147 0.000 1.137 6 R CA 1.935 58.154 56.100 0.198 0.000 0.945 6 R CB -0.327 30.091 30.300 0.196 0.000 0.845 6 R HN 0.522 nan 8.270 nan 0.000 0.430 7 E N 0.017 120.271 120.200 0.090 0.000 2.114 7 E HA -0.242 4.108 4.350 0.000 0.000 0.199 7 E C 1.568 178.185 176.600 0.029 0.000 1.008 7 E CA 1.798 58.234 56.400 0.059 0.000 0.810 7 E CB -0.072 29.654 29.700 0.043 0.000 0.739 7 E HN 0.439 nan 8.360 nan 0.000 0.456 8 D N 0.084 120.485 120.400 0.003 0.000 2.144 8 D HA -0.102 4.538 4.640 0.000 0.000 0.200 8 D C 2.055 178.304 176.300 -0.085 0.000 0.978 8 D CA 0.821 54.800 54.000 -0.034 0.000 0.833 8 D CB -0.075 40.705 40.800 -0.034 0.000 0.961 8 D HN 0.257 nan 8.370 nan 0.000 0.470 9 I N 1.292 121.767 120.570 -0.158 0.000 2.286 9 I HA -0.200 3.970 4.170 0.000 0.000 0.245 9 I C 1.888 177.918 176.117 -0.144 0.000 1.104 9 I CA 0.762 61.879 61.300 -0.305 0.000 1.397 9 I CB -0.209 37.297 38.000 -0.823 0.000 1.072 9 I HN -0.183 nan 8.210 nan 0.000 0.417 10 D N 1.686 122.097 120.400 0.018 0.000 2.126 10 D HA -0.243 4.397 4.640 0.000 0.000 0.190 10 D C 2.253 178.573 176.300 0.032 0.000 1.001 10 D CA 1.962 56.022 54.000 0.100 0.000 0.841 10 D CB -0.356 40.515 40.800 0.118 0.000 0.949 10 D HN 0.366 nan 8.370 nan 0.000 0.446 11 A N 0.550 123.375 122.820 0.008 0.000 1.908 11 A HA -0.168 4.152 4.320 0.000 0.000 0.218 11 A C 2.458 180.031 177.584 -0.019 0.000 1.181 11 A CA 1.210 53.245 52.037 -0.004 0.000 0.627 11 A CB -0.798 18.197 19.000 -0.008 0.000 0.818 11 A HN 0.251 nan 8.150 nan 0.000 0.445 12 I N -0.427 120.118 120.570 -0.042 0.000 2.286 12 I HA -0.215 3.955 4.170 0.000 0.000 0.248 12 I C 1.952 178.046 176.117 -0.039 0.000 1.115 12 I CA 0.980 62.248 61.300 -0.053 0.000 1.392 12 I CB -0.227 37.720 38.000 -0.087 0.000 1.065 12 I HN 0.261 nan 8.210 nan 0.000 0.418 13 L N 0.302 121.509 121.223 -0.027 0.000 2.552 13 L HA -0.048 4.292 4.340 0.000 0.000 0.227 13 L C 1.716 178.591 176.870 0.009 0.000 1.146 13 L CA 0.495 55.333 54.840 -0.003 0.000 0.858 13 L CB -0.353 41.722 42.059 0.028 0.000 0.969 13 L HN 0.235 nan 8.230 nan 0.000 0.451 14 E N -0.104 120.099 120.200 0.005 0.000 2.494 14 E HA -0.028 4.322 4.350 0.000 0.000 0.193 14 E C 0.185 176.785 176.600 0.000 0.000 1.074 14 E CA 0.007 56.412 56.400 0.008 0.000 0.867 14 E CB -0.031 29.674 29.700 0.009 0.000 0.924 14 E HN 0.378 nan 8.360 nan 0.000 0.502 15 D N 1.480 121.876 120.400 -0.007 0.000 2.455 15 D HA -0.015 4.625 4.640 0.000 0.000 0.241 15 D C -1.635 174.661 176.300 -0.006 0.000 1.138 15 D CA -1.635 52.357 54.000 -0.012 0.000 0.877 15 D CB 1.536 42.322 40.800 -0.024 0.000 1.187 15 D HN -0.127 nan 8.370 nan 0.000 0.451 16 P HA -0.123 nan 4.420 nan 0.000 0.220 16 P C 0.708 178.008 177.300 -0.000 0.000 1.144 16 P CA 0.926 64.025 63.100 -0.001 0.000 0.800 16 P CB 0.191 31.889 31.700 -0.004 0.000 0.772 17 A N -1.033 121.781 122.820 -0.010 0.000 2.119 17 A HA -0.038 4.282 4.320 0.000 0.000 0.217 17 A C 1.814 179.398 177.584 -0.001 0.000 1.153 17 A CA 0.846 52.875 52.037 -0.014 0.000 0.692 17 A CB -1.174 17.802 19.000 -0.041 0.000 0.799 17 A HN 0.178 nan 8.150 nan 0.000 0.458 18 L N 0.099 121.324 121.223 0.003 0.000 2.629 18 L HA 0.099 4.439 4.340 0.000 0.000 0.230 18 L C 0.729 177.625 176.870 0.043 0.000 1.151 18 L CA -0.239 54.616 54.840 0.025 0.000 0.924 18 L CB -0.056 42.011 42.059 0.013 0.000 1.137 18 L HN 0.363 nan 8.230 nan 0.000 0.457 19 E N 1.335 121.557 120.200 0.036 0.000 2.417 19 E HA 0.032 4.382 4.350 0.000 0.000 0.261 19 E C 0.882 177.504 176.600 0.037 0.000 1.000 19 E CA 0.757 57.176 56.400 0.030 0.000 0.919 19 E CB 0.655 30.368 29.700 0.021 0.000 0.955 19 E HN 0.393 nan 8.360 nan 0.000 0.455 20 G N 3.007 111.824 108.800 0.029 0.000 2.249 20 G HA2 -0.235 3.725 3.960 0.000 0.000 0.273 20 G HA3 -0.235 3.725 3.960 0.000 0.000 0.273 20 G C -0.028 174.890 174.900 0.030 0.000 1.036 20 G CA 0.371 45.485 45.100 0.024 0.000 0.824 20 G HN 0.703 nan 8.290 nan 0.000 0.504 21 A N -0.747 122.100 122.820 0.046 0.000 2.355 21 A HA 0.838 5.158 4.320 0.000 0.000 0.317 21 A C 0.098 177.714 177.584 0.054 0.000 1.094 21 A CA -0.324 51.750 52.037 0.062 0.000 0.764 21 A CB 2.005 21.078 19.000 0.121 0.000 1.230 21 A HN 1.171 nan 8.150 nan 0.000 0.448 22 V N 1.587 121.529 119.914 0.048 0.000 2.583 22 V HA 0.489 4.609 4.120 0.000 0.000 0.287 22 V C 0.467 176.598 176.094 0.062 0.000 1.051 22 V CA 0.032 62.360 62.300 0.047 0.000 1.010 22 V CB 1.240 33.084 31.823 0.036 0.000 0.988 22 V HN 0.815 nan 8.190 nan 0.000 0.478 23 S N 2.597 118.334 115.700 0.061 0.000 2.779 23 S HA 0.542 5.012 4.470 0.000 0.000 0.293 23 S C 0.248 174.892 174.600 0.074 0.000 1.150 23 S CA -0.491 57.749 58.200 0.068 0.000 1.057 23 S CB 1.492 64.730 63.200 0.063 0.000 1.021 23 S HN 1.093 nan 8.310 nan 0.000 0.485 24 G N 2.082 110.927 108.800 0.074 0.000 2.338 24 G HA2 0.517 4.477 3.960 0.000 0.000 0.295 24 G HA3 0.517 4.477 3.960 0.000 0.000 0.295 24 G C -0.639 174.322 174.900 0.103 0.000 1.132 24 G CA -0.279 44.870 45.100 0.081 0.000 0.922 24 G HN 0.578 nan 8.290 nan 0.000 0.427 25 V N 3.209 123.207 119.914 0.140 0.000 2.443 25 V HA 0.501 4.621 4.120 0.000 0.000 0.293 25 V C -0.396 175.842 176.094 0.240 0.000 1.021 25 V CA -0.712 61.697 62.300 0.183 0.000 0.848 25 V CB 1.594 33.530 31.823 0.188 0.000 0.998 25 V HN 0.532 nan 8.190 nan 0.000 0.424 26 V N 5.218 125.248 119.914 0.193 0.000 2.623 26 V HA 0.634 4.754 4.120 0.000 0.000 0.304 26 V C -0.552 175.646 176.094 0.175 0.000 1.054 26 V CA -0.597 61.808 62.300 0.175 0.000 0.882 26 V CB 2.237 34.124 31.823 0.107 0.000 1.002 26 V HN 0.594 nan 8.190 nan 0.000 0.424 27 V N 4.941 124.958 119.914 0.171 0.000 2.656 27 V HA 0.747 4.867 4.120 0.000 0.000 0.307 27 V C -0.524 175.627 176.094 0.094 0.000 1.051 27 V CA -0.558 61.821 62.300 0.131 0.000 0.893 27 V CB 2.142 34.001 31.823 0.061 0.000 0.999 27 V HN 0.618 nan 8.190 nan 0.000 0.426 28 V N 2.065 122.033 119.914 0.090 0.000 3.007 28 V HA 0.484 4.604 4.120 0.000 0.000 0.311 28 V C -1.119 175.031 176.094 0.092 0.000 1.120 28 V CA -0.688 61.659 62.300 0.078 0.000 0.980 28 V CB 2.572 34.439 31.823 0.072 0.000 1.033 28 V HN 0.920 nan 8.190 nan 0.000 0.429 29 D N 1.430 121.883 120.400 0.088 0.000 2.295 29 D HA 0.238 4.878 4.640 0.000 0.000 0.248 29 D C 1.181 177.543 176.300 0.103 0.000 1.154 29 D CA 0.144 54.207 54.000 0.106 0.000 0.857 29 D CB 1.927 42.789 40.800 0.103 0.000 1.117 29 D HN 0.600 nan 8.370 nan 0.000 0.468 30 T N 2.492 117.122 114.554 0.126 0.000 2.778 30 T HA -0.154 4.196 4.350 0.000 0.000 0.269 30 T C 1.540 176.287 174.700 0.078 0.000 1.050 30 T CA 1.646 63.818 62.100 0.120 0.000 1.137 30 T CB 0.108 69.066 68.868 0.149 0.000 0.860 30 T HN 0.547 nan 8.240 nan 0.000 0.468 31 A N 1.815 124.678 122.820 0.072 0.000 1.831 31 A HA -0.024 4.296 4.320 0.000 0.000 0.213 31 A C 2.655 180.265 177.584 0.044 0.000 1.223 31 A CA 1.790 53.858 52.037 0.051 0.000 0.604 31 A CB -1.257 17.773 19.000 0.049 0.000 0.878 31 A HN 0.552 nan 8.150 nan 0.000 0.450 32 T N -3.277 111.307 114.554 0.050 0.000 2.915 32 T HA 0.273 4.624 4.350 0.000 0.000 0.269 32 T C 1.578 176.302 174.700 0.040 0.000 1.071 32 T CA 1.410 63.535 62.100 0.043 0.000 1.132 32 T CB -0.601 68.296 68.868 0.049 0.000 0.878 32 T HN 1.868 nan 8.240 nan 0.000 0.479 33 G N 1.278 110.107 108.800 0.048 0.000 2.155 33 G HA2 -0.299 3.661 3.960 0.000 0.000 0.257 33 G HA3 -0.299 3.661 3.960 0.000 0.000 0.257 33 G C -0.169 174.757 174.900 0.043 0.000 0.983 33 G CA 0.374 45.501 45.100 0.044 0.000 0.676 33 G HN 0.833 nan 8.290 nan 0.000 0.528 34 E N 0.489 120.718 120.200 0.048 0.000 2.373 34 E HA 0.313 4.663 4.350 0.000 0.000 0.267 34 E C 0.213 176.842 176.600 0.049 0.000 1.032 34 E CA -0.361 56.067 56.400 0.046 0.000 0.889 34 E CB 0.330 30.061 29.700 0.052 0.000 0.984 34 E HN 0.409 nan 8.360 nan 0.000 0.425 35 E N 5.229 125.453 120.200 0.039 0.000 2.001 35 E HA 0.061 4.411 4.350 0.000 0.000 0.279 35 E C 0.693 177.316 176.600 0.039 0.000 1.045 35 E CA -0.212 56.211 56.400 0.038 0.000 0.833 35 E CB 0.391 30.105 29.700 0.023 0.000 1.077 35 E HN 0.637 nan 8.360 nan 0.000 0.397 36 L N 4.207 125.460 121.223 0.049 0.000 2.109 36 L HA 0.007 4.347 4.340 0.000 0.000 0.207 36 L C 0.432 177.367 176.870 0.107 0.000 1.086 36 L CA 0.817 55.684 54.840 0.046 0.000 0.760 36 L CB -0.066 41.976 42.059 -0.028 0.000 0.910 36 L HN 0.562 nan 8.230 nan 0.000 0.437 37 Y N -1.092 119.187 120.300 -0.034 0.000 2.482 37 Y HA 0.446 4.996 4.550 0.000 0.000 0.334 37 Y C -0.898 174.999 175.900 -0.005 0.000 1.091 37 Y CA -0.876 57.208 58.100 -0.027 0.000 1.027 37 Y CB 2.030 40.461 38.460 -0.049 0.000 1.306 37 Y HN -0.265 nan 8.280 nan 0.000 0.446 38 S N 5.705 121.160 115.700 -0.408 0.000 2.668 38 S HA 0.641 5.112 4.470 0.000 0.000 0.277 38 S C -1.844 172.580 174.600 -0.293 0.000 1.170 38 S CA -0.652 57.430 58.200 -0.196 0.000 0.994 38 S CB 0.809 63.949 63.200 -0.100 0.000 1.051 38 S HN 0.796 nan 8.310 nan 0.000 0.484 39 R N 3.248 123.708 120.500 -0.067 0.000 2.538 39 R HA 0.371 4.711 4.340 0.000 0.000 0.292 39 R C -1.009 175.313 176.300 0.038 0.000 1.008 39 R CA -0.304 55.786 56.100 -0.016 0.000 0.896 39 R CB 0.661 31.013 30.300 0.085 0.000 1.187 39 R HN 0.700 nan 8.270 nan 0.000 0.440 40 D N 2.966 123.375 120.400 0.016 0.000 2.737 40 D HA -0.175 4.465 4.640 0.000 0.000 0.233 40 D C 0.893 177.214 176.300 0.034 0.000 1.155 40 D CA 1.424 55.439 54.000 0.026 0.000 0.667 40 D CB -0.835 39.987 40.800 0.036 0.000 1.060 40 D HN 0.918 nan 8.370 nan 0.000 0.427 41 G N 0.109 108.927 108.800 0.029 0.000 2.443 41 G HA2 -0.019 3.941 3.960 0.000 0.000 0.219 41 G HA3 -0.019 3.941 3.960 0.000 0.000 0.219 41 G C 1.451 176.373 174.900 0.036 0.000 1.131 41 G CA 0.807 45.931 45.100 0.039 0.000 0.775 41 G HN 0.479 nan 8.290 nan 0.000 0.547 42 G N -0.538 108.277 108.800 0.025 0.000 3.233 42 G HA2 0.319 4.279 3.960 0.000 0.000 0.234 42 G HA3 0.319 4.279 3.960 0.000 0.000 0.234 42 G C 0.130 175.042 174.900 0.020 0.000 1.137 42 G CA -0.275 44.838 45.100 0.022 0.000 0.763 42 G HN 0.339 nan 8.290 nan 0.000 0.549 43 E N 0.896 121.111 120.200 0.024 0.000 2.289 43 E HA 0.270 4.620 4.350 0.000 0.000 0.278 43 E C 0.232 176.846 176.600 0.023 0.000 1.032 43 E CA -0.177 56.236 56.400 0.022 0.000 0.854 43 E CB 0.496 30.211 29.700 0.025 0.000 1.046 43 E HN 0.218 nan 8.360 nan 0.000 0.409 44 Q N 3.315 123.124 119.800 0.015 0.000 2.286 44 Q HA 0.317 4.657 4.340 0.000 0.000 0.267 44 Q C -0.703 175.307 176.000 0.016 0.000 1.028 44 Q CA 0.175 55.984 55.803 0.011 0.000 0.901 44 Q CB 0.491 29.230 28.738 0.001 0.000 1.183 44 Q HN 0.441 nan 8.270 nan 0.000 0.392 45 L N 2.376 123.613 121.223 0.023 0.000 2.393 45 L HA 0.482 4.822 4.340 0.000 0.000 0.260 45 L C -0.655 176.234 176.870 0.031 0.000 1.002 45 L CA -1.036 53.822 54.840 0.029 0.000 0.818 45 L CB 1.546 43.630 42.059 0.041 0.000 1.369 45 L HN 0.420 nan 8.230 nan 0.000 0.412 46 L N 2.174 123.417 121.223 0.032 0.000 2.410 46 L HA 0.187 4.527 4.340 0.000 0.000 0.273 46 L C -1.427 175.474 176.870 0.051 0.000 1.144 46 L CA -1.339 53.524 54.840 0.039 0.000 0.863 46 L CB 0.144 42.225 42.059 0.037 0.000 1.140 46 L HN 0.433 nan 8.230 nan 0.000 0.463 47 P HA -0.107 nan 4.420 nan 0.000 0.225 47 P C 0.957 178.296 177.300 0.066 0.000 1.156 47 P CA 1.200 64.350 63.100 0.084 0.000 0.787 47 P CB 0.454 32.229 31.700 0.126 0.000 0.802 48 A N 0.561 123.414 122.820 0.054 0.000 5.481 48 A HA -0.289 4.031 4.320 0.000 0.000 0.318 48 A C 1.862 179.475 177.584 0.048 0.000 1.837 48 A CA 2.144 54.202 52.037 0.034 0.000 0.717 48 A CB -2.401 16.603 19.000 0.006 0.000 1.349 48 A HN 0.227 nan 8.150 nan 0.000 0.388 49 S N 0.858 116.569 115.700 0.019 0.000 2.603 49 S HA -0.049 4.421 4.470 0.000 0.000 0.229 49 S C 1.356 175.974 174.600 0.029 0.000 0.972 49 S CA 1.051 59.265 58.200 0.024 0.000 0.935 49 S CB -0.577 62.610 63.200 -0.021 0.000 0.769 49 S HN 0.614 nan 8.310 nan 0.000 0.536 50 N N 1.678 120.402 118.700 0.041 0.000 2.364 50 N HA -0.007 4.734 4.740 0.000 0.000 0.183 50 N C 1.437 177.044 175.510 0.163 0.000 1.022 50 N CA 0.522 53.601 53.050 0.049 0.000 0.883 50 N CB -0.394 38.125 38.487 0.052 0.000 0.965 50 N HN 0.250 nan 8.380 nan 0.000 0.438 51 M N 1.219 120.954 119.600 0.225 0.000 2.143 51 M HA -0.170 4.311 4.480 0.000 0.000 0.258 51 M C 1.328 177.830 176.300 0.336 0.000 1.071 51 M CA 1.569 57.074 55.300 0.342 0.000 1.088 51 M CB -0.111 32.629 32.600 0.232 0.000 1.360 51 M HN -0.011 nan 8.290 nan 0.000 0.404 52 K N -0.536 119.985 120.400 0.201 0.000 2.281 52 K HA -0.138 4.182 4.320 0.000 0.000 0.203 52 K C 1.828 178.504 176.600 0.127 0.000 1.046 52 K CA 1.108 57.501 56.287 0.178 0.000 0.938 52 K CB -0.431 32.062 32.500 -0.011 0.000 0.737 52 K HN 0.423 nan 8.250 nan 0.000 0.458 53 L N -0.287 120.970 121.223 0.057 0.000 2.017 53 L HA -0.189 4.151 4.340 0.000 0.000 0.208 53 L C 2.159 179.093 176.870 0.107 0.000 1.073 53 L CA 1.511 56.376 54.840 0.042 0.000 0.745 53 L CB -0.514 41.445 42.059 -0.166 0.000 0.894 53 L HN 0.098 nan 8.230 nan 0.000 0.432 54 F N -0.255 119.830 119.950 0.225 0.000 2.171 54 F HA -0.198 4.329 4.527 0.000 0.000 0.300 54 F C 2.651 178.557 175.800 0.177 0.000 1.090 54 F CA 1.542 59.649 58.000 0.177 0.000 1.293 54 F CB -1.001 38.075 39.000 0.127 0.000 1.013 54 F HN 0.012 nan 8.300 nan 0.000 0.486 55 T N -0.195 114.585 114.554 0.375 0.000 2.737 55 T HA -0.131 4.219 4.350 0.000 0.000 0.265 55 T C 2.317 177.188 174.700 0.284 0.000 1.038 55 T CA 1.264 63.552 62.100 0.313 0.000 1.144 55 T CB -0.654 68.431 68.868 0.363 0.000 0.866 55 T HN 0.288 nan 8.240 nan 0.000 0.434 56 A N 1.514 124.551 122.820 0.362 0.000 1.902 56 A HA 0.194 4.514 4.320 0.000 0.000 0.217 56 A C 2.645 180.323 177.584 0.157 0.000 1.181 56 A CA 1.791 54.039 52.037 0.351 0.000 0.623 56 A CB -1.132 18.092 19.000 0.374 0.000 0.818 56 A HN 0.494 nan 8.150 nan 0.000 0.443 57 A N -0.104 122.826 122.820 0.184 0.000 1.902 57 A HA 0.144 4.464 4.320 0.000 0.000 0.217 57 A C 2.490 179.980 177.584 -0.158 0.000 1.181 57 A CA 2.146 54.070 52.037 -0.187 0.000 0.623 57 A CB -0.998 17.920 19.000 -0.138 0.000 0.818 57 A HN 1.075 nan 8.150 nan 0.000 0.443 58 A N -0.435 122.402 122.820 0.029 0.000 1.969 58 A HA 0.244 4.564 4.320 0.000 0.000 0.218 58 A C 2.412 179.990 177.584 -0.010 0.000 1.169 58 A CA 1.810 53.873 52.037 0.044 0.000 0.635 58 A CB -0.775 18.288 19.000 0.105 0.000 0.810 58 A HN 0.997 nan 8.150 nan 0.000 0.445 59 A N -0.424 122.387 122.820 -0.014 0.000 1.968 59 A HA 0.102 4.422 4.320 0.000 0.000 0.217 59 A C 2.108 179.621 177.584 -0.118 0.000 1.169 59 A CA 1.188 53.208 52.037 -0.029 0.000 0.638 59 A CB -0.456 18.562 19.000 0.031 0.000 0.812 59 A HN 0.444 nan 8.150 nan 0.000 0.446 60 L N -0.689 120.363 121.223 -0.286 0.000 2.027 60 L HA -0.151 4.189 4.340 0.000 0.000 0.206 60 L C 2.690 179.347 176.870 -0.355 0.000 1.074 60 L CA 1.227 55.750 54.840 -0.529 0.000 0.745 60 L CB -0.425 40.826 42.059 -1.347 0.000 0.898 60 L HN 0.296 nan 8.230 nan 0.000 0.433 61 E N -0.188 119.889 120.200 -0.205 0.000 2.058 61 E HA -0.185 4.165 4.350 0.000 0.000 0.194 61 E C 2.294 178.928 176.600 0.057 0.000 0.997 61 E CA 1.340 57.799 56.400 0.098 0.000 0.801 61 E CB -0.269 29.525 29.700 0.157 0.000 0.746 61 E HN 0.279 nan 8.360 nan 0.000 0.450 62 V N 0.557 120.475 119.914 0.005 0.000 2.346 62 V HA -0.173 3.947 4.120 0.000 0.000 0.244 62 V C 2.216 178.298 176.094 -0.021 0.000 1.037 62 V CA 1.069 63.370 62.300 0.003 0.000 1.029 62 V CB -0.188 31.630 31.823 -0.008 0.000 0.663 62 V HN 0.142 nan 8.190 nan 0.000 0.454 63 L N -0.533 120.647 121.223 -0.071 0.000 2.253 63 L HA 0.486 4.826 4.340 0.000 0.000 0.205 63 L C 1.075 177.940 176.870 -0.007 0.000 1.078 63 L CA 1.525 56.274 54.840 -0.152 0.000 0.805 63 L CB -0.975 40.873 42.059 -0.352 0.000 0.963 63 L HN 0.528 nan 8.230 nan 0.000 0.459 64 G N -1.850 106.950 108.800 -0.001 0.000 2.675 64 G HA2 0.041 4.001 3.960 0.000 0.000 0.686 64 G HA3 0.041 4.001 3.960 0.000 0.000 0.686 64 G C 0.658 175.586 174.900 0.046 0.000 1.215 64 G CA -0.125 45.004 45.100 0.049 0.000 0.777 64 G HN 0.380 nan 8.290 nan 0.000 0.638 65 A N 0.175 123.036 122.820 0.069 0.000 2.131 65 A HA 0.082 4.402 4.320 0.000 0.000 0.220 65 A C 1.901 179.522 177.584 0.062 0.000 1.158 65 A CA 2.374 54.460 52.037 0.081 0.000 0.665 65 A CB -0.257 18.827 19.000 0.141 0.000 0.795 65 A HN 1.291 nan 8.150 nan 0.000 0.460 66 D N -2.123 118.305 120.400 0.047 0.000 2.369 66 D HA 0.046 4.686 4.640 0.000 0.000 0.211 66 D C 0.377 176.640 176.300 -0.062 0.000 1.077 66 D CA -0.366 53.634 54.000 0.001 0.000 0.842 66 D CB -0.858 39.945 40.800 0.005 0.000 0.947 66 D HN 0.554 nan 8.370 nan 0.000 0.509 67 H N 1.390 120.371 119.070 -0.148 0.000 2.848 67 H HA 0.296 4.852 4.556 0.000 0.000 0.341 67 H C 0.048 175.094 175.328 -0.471 0.000 1.060 67 H CA 0.300 56.174 56.048 -0.290 0.000 1.444 67 H CB 0.682 30.264 29.762 -0.299 0.000 1.446 67 H HN 0.054 nan 8.280 nan 0.000 0.583 68 S N 3.897 119.046 115.700 -0.919 0.000 2.632 68 S HA 0.585 5.055 4.470 0.000 0.000 0.289 68 S C -1.279 172.752 174.600 -0.948 0.000 1.115 68 S CA -0.964 56.795 58.200 -0.735 0.000 0.889 68 S CB 1.338 64.293 63.200 -0.409 0.000 1.116 68 S HN 0.414 nan 8.310 nan 0.000 0.486 69 F N 0.316 120.150 119.950 -0.194 0.000 2.495 69 F HA 0.729 5.256 4.527 0.000 0.000 0.327 69 F C 0.916 176.572 175.800 -0.240 0.000 1.103 69 F CA -0.515 57.379 58.000 -0.178 0.000 0.949 69 F CB 2.204 41.141 39.000 -0.105 0.000 1.142 69 F HN 0.951 nan 8.300 nan 0.000 0.457 70 G N 0.695 109.423 108.800 -0.119 0.000 2.400 70 G HA2 0.636 4.597 3.960 0.000 0.000 0.333 70 G HA3 0.636 4.597 3.960 0.000 0.000 0.333 70 G C -1.252 173.542 174.900 -0.177 0.000 1.143 70 G CA -0.595 44.397 45.100 -0.181 0.000 0.914 70 G HN 0.531 nan 8.290 nan 0.000 0.480 71 T N 1.117 115.599 114.554 -0.121 0.000 2.876 71 T HA 0.625 4.975 4.350 0.000 0.000 0.289 71 T C -0.615 174.026 174.700 -0.097 0.000 1.014 71 T CA -0.567 61.463 62.100 -0.116 0.000 0.986 71 T CB 2.346 71.174 68.868 -0.067 0.000 1.021 71 T HN 0.593 nan 8.240 nan 0.000 0.458 72 E N 0.562 120.693 120.200 -0.114 0.000 2.433 72 E HA 0.724 5.074 4.350 0.000 0.000 0.273 72 E C -1.458 175.094 176.600 -0.080 0.000 0.950 72 E CA -1.079 55.274 56.400 -0.078 0.000 0.796 72 E CB 2.425 32.087 29.700 -0.064 0.000 1.330 72 E HN 0.264 nan 8.360 nan 0.000 0.455 73 V N 0.832 120.734 119.914 -0.020 0.000 2.525 73 V HA 0.706 4.826 4.120 0.000 0.000 0.299 73 V C -0.967 175.195 176.094 0.113 0.000 1.034 73 V CA -0.659 61.662 62.300 0.034 0.000 0.863 73 V CB 1.389 33.250 31.823 0.064 0.000 0.999 73 V HN 0.746 nan 8.190 nan 0.000 0.423 74 A N 3.655 126.592 122.820 0.194 0.000 2.371 74 A HA 1.018 5.338 4.320 0.000 0.000 0.311 74 A C -0.279 177.536 177.584 0.386 0.000 1.068 74 A CA -0.196 51.987 52.037 0.244 0.000 0.744 74 A CB 1.817 20.954 19.000 0.227 0.000 1.239 74 A HN 1.422 nan 8.150 nan 0.000 0.435 75 A N 0.784 123.762 122.820 0.263 0.000 2.384 75 A HA 0.676 4.996 4.320 0.000 0.000 0.312 75 A C 0.771 178.229 177.584 -0.210 0.000 1.113 75 A CA 0.072 52.227 52.037 0.196 0.000 0.779 75 A CB 0.859 19.915 19.000 0.094 0.000 1.307 75 A HN 1.023 nan 8.150 nan 0.000 0.436 76 E N 0.417 120.070 120.200 -0.912 0.000 2.108 76 E HA -0.179 4.171 4.350 0.000 0.000 0.203 76 E C 0.572 176.803 176.600 -0.615 0.000 1.022 76 E CA 1.972 57.495 56.400 -1.461 0.000 0.823 76 E CB 0.005 28.909 29.700 -1.326 0.000 0.744 76 E HN 0.808 nan 8.360 nan 0.000 0.456 77 S N -2.065 113.429 115.700 -0.344 0.000 2.615 77 S HA 0.684 5.154 4.470 0.000 0.000 0.269 77 S C -0.678 173.861 174.600 -0.103 0.000 1.161 77 S CA -0.779 57.309 58.200 -0.187 0.000 0.817 77 S CB 1.301 64.399 63.200 -0.170 0.000 1.131 77 S HN 0.314 nan 8.310 nan 0.000 0.467 78 A N 2.077 124.858 122.820 -0.065 0.000 2.520 78 A HA 0.559 4.879 4.320 0.000 0.000 0.235 78 A C -1.872 175.693 177.584 -0.032 0.000 1.065 78 A CA -0.623 51.394 52.037 -0.034 0.000 0.764 78 A CB -1.043 17.941 19.000 -0.026 0.000 1.002 78 A HN 0.707 nan 8.150 nan 0.000 0.502 79 P HA 0.269 nan 4.420 nan 0.000 0.272 79 P C 0.537 177.828 177.300 -0.015 0.000 1.230 79 P CA 0.181 63.273 63.100 -0.013 0.000 0.788 79 P CB 0.526 32.224 31.700 -0.002 0.000 0.949 80 G N 1.315 110.106 108.800 -0.014 0.000 2.611 80 G HA2 0.053 4.013 3.960 0.000 0.000 0.273 80 G HA3 0.053 4.013 3.960 0.000 0.000 0.273 80 G C 0.927 175.821 174.900 -0.009 0.000 1.305 80 G CA -0.574 44.518 45.100 -0.013 0.000 1.010 80 G HN 0.384 nan 8.290 nan 0.000 0.509 81 R N -1.010 119.485 120.500 -0.009 0.000 2.241 81 R HA -0.000 4.340 4.340 0.000 0.000 0.224 81 R C 2.460 178.756 176.300 -0.006 0.000 1.101 81 R CA 0.594 56.690 56.100 -0.007 0.000 0.995 81 R CB -0.031 30.265 30.300 -0.007 0.000 0.870 81 R HN 0.253 nan 8.270 nan 0.000 0.463 82 R N 0.044 120.540 120.500 -0.006 0.000 2.236 82 R HA -0.006 4.334 4.340 0.000 0.000 0.208 82 R C 0.635 176.932 176.300 -0.005 0.000 1.036 82 R CA 0.928 57.025 56.100 -0.005 0.000 1.001 82 R CB 0.142 30.439 30.300 -0.005 0.000 0.896 82 R HN 0.429 nan 8.270 nan 0.000 0.464 83 G N 1.807 110.605 108.800 -0.005 0.000 2.198 83 G HA2 -0.251 3.709 3.960 0.000 0.000 0.257 83 G HA3 -0.251 3.709 3.960 0.000 0.000 0.257 83 G C -0.448 174.452 174.900 -0.001 0.000 1.042 83 G CA 0.216 45.314 45.100 -0.003 0.000 0.791 83 G HN 0.391 nan 8.290 nan 0.000 0.502 84 E N -0.444 119.755 120.200 -0.001 0.000 2.166 84 E HA 0.557 4.907 4.350 0.000 0.000 0.275 84 E C 0.409 177.013 176.600 0.007 0.000 0.941 84 E CA -0.519 55.883 56.400 0.003 0.000 0.784 84 E CB 2.485 32.186 29.700 0.003 0.000 1.115 84 E HN 0.692 nan 8.360 nan 0.000 0.399 85 V N 0.496 120.421 119.914 0.018 0.000 3.046 85 V HA 0.358 4.478 4.120 0.000 0.000 0.316 85 V C 0.361 176.485 176.094 0.049 0.000 1.104 85 V CA -0.694 61.624 62.300 0.030 0.000 1.006 85 V CB 1.971 33.824 31.823 0.049 0.000 1.058 85 V HN 0.591 nan 8.190 nan 0.000 0.440 86 Q N 1.113 120.957 119.800 0.072 0.000 1.808 86 Q HA 0.217 4.557 4.340 0.000 0.000 0.286 86 Q C 0.126 176.211 176.000 0.141 0.000 0.955 86 Q CA 1.306 57.169 55.803 0.100 0.000 0.877 86 Q CB -0.152 28.659 28.738 0.120 0.000 0.917 86 Q HN 0.927 nan 8.270 nan 0.000 0.436 87 D N 0.362 120.912 120.400 0.249 0.000 2.304 87 D HA 0.288 4.928 4.640 0.000 0.000 0.247 87 D C -0.746 175.762 176.300 0.346 0.000 1.089 87 D CA -0.004 54.176 54.000 0.299 0.000 0.910 87 D CB 0.864 41.953 40.800 0.481 0.000 1.199 87 D HN 0.245 nan 8.370 nan 0.000 0.426 88 L N 1.928 123.267 121.223 0.193 0.000 2.381 88 L HA 0.397 4.737 4.340 0.000 0.000 0.268 88 L C -1.455 175.468 176.870 0.087 0.000 0.997 88 L CA -0.841 54.138 54.840 0.232 0.000 0.818 88 L CB 1.427 43.587 42.059 0.169 0.000 1.310 88 L HN 0.372 nan 8.230 nan 0.000 0.416 89 Y N 3.578 124.022 120.300 0.240 0.000 2.350 89 Y HA 0.350 4.900 4.550 0.000 0.000 0.338 89 Y C -0.236 175.697 175.900 0.053 0.000 0.961 89 Y CA -0.663 57.531 58.100 0.156 0.000 1.100 89 Y CB 2.043 40.551 38.460 0.080 0.000 1.179 89 Y HN 0.330 nan 8.280 nan 0.000 0.454 90 L N 5.398 126.674 121.223 0.087 0.000 2.255 90 L HA 0.596 4.936 4.340 0.000 0.000 0.289 90 L C -1.108 175.733 176.870 -0.049 0.000 1.046 90 L CA -0.526 54.239 54.840 -0.125 0.000 0.816 90 L CB 0.425 42.276 42.059 -0.346 0.000 1.197 90 L HN 0.399 nan 8.230 nan 0.000 0.427 91 V N 5.213 125.087 119.914 -0.067 0.000 2.328 91 V HA 0.630 4.750 4.120 0.000 0.000 0.278 91 V C 0.810 176.828 176.094 -0.127 0.000 1.021 91 V CA -0.451 61.814 62.300 -0.059 0.000 0.838 91 V CB 0.911 32.705 31.823 -0.048 0.000 0.999 91 V HN 0.878 nan 8.190 nan 0.000 0.447 92 G N 3.592 112.315 108.800 -0.128 0.000 2.338 92 G HA2 0.540 4.500 3.960 0.000 0.000 0.298 92 G HA3 0.540 4.500 3.960 0.000 0.000 0.298 92 G C 0.081 174.823 174.900 -0.264 0.000 1.140 92 G CA -0.589 44.403 45.100 -0.180 0.000 0.860 92 G HN 0.673 nan 8.290 nan 0.000 0.470 93 R N 1.481 121.753 120.500 -0.380 0.000 2.816 93 R HA 0.328 4.668 4.340 0.000 0.000 0.382 93 R C 1.072 177.062 176.300 -0.518 0.000 1.140 93 R CA 0.292 55.965 56.100 -0.712 0.000 1.050 93 R CB 0.675 30.365 30.300 -1.017 0.000 1.396 93 R HN 0.984 nan 8.270 nan 0.000 0.583 94 G N 0.860 109.396 108.800 -0.441 0.000 2.132 94 G HA2 -0.249 3.712 3.960 0.000 0.000 0.234 94 G HA3 -0.249 3.712 3.960 0.000 0.000 0.234 94 G C -0.285 174.355 174.900 -0.434 0.000 0.989 94 G CA 0.001 44.857 45.100 -0.407 0.000 0.676 94 G HN 0.433 nan 8.290 nan 0.000 0.522 95 D N 0.978 121.210 120.400 -0.280 0.000 2.382 95 D HA 0.350 4.990 4.640 0.000 0.000 0.259 95 D C -0.787 175.342 176.300 -0.285 0.000 1.224 95 D CA -1.440 52.410 54.000 -0.250 0.000 0.894 95 D CB 1.224 41.982 40.800 -0.070 0.000 1.127 95 D HN 0.217 nan 8.370 nan 0.000 0.487 96 P HA 0.095 nan 4.420 nan 0.000 0.261 96 P C 0.384 177.531 177.300 -0.256 0.000 1.352 96 P CA 0.233 63.128 63.100 -0.342 0.000 0.891 96 P CB 0.163 31.479 31.700 -0.641 0.000 1.383 97 T N -4.817 109.564 114.554 -0.289 0.000 3.144 97 T HA 0.164 4.514 4.350 0.000 0.000 0.290 97 T C 0.371 174.988 174.700 -0.139 0.000 0.966 97 T CA -0.317 61.499 62.100 -0.473 0.000 0.907 97 T CB -0.383 67.835 68.868 -1.083 0.000 1.152 97 T HN -0.058 nan 8.240 nan 0.000 0.532 98 L N 4.259 125.463 121.223 -0.032 0.000 2.562 98 L HA 0.311 4.651 4.340 0.000 0.000 0.271 98 L C 0.446 177.360 176.870 0.073 0.000 1.167 98 L CA 0.304 55.158 54.840 0.024 0.000 0.917 98 L CB 0.349 42.407 42.059 -0.002 0.000 1.187 98 L HN 0.615 nan 8.230 nan 0.000 0.482 99 S N 3.446 119.186 115.700 0.067 0.000 2.722 99 S HA 0.530 5.000 4.470 0.000 0.000 0.292 99 S C 0.941 175.561 174.600 0.034 0.000 1.135 99 S CA -0.230 58.025 58.200 0.092 0.000 1.003 99 S CB 1.787 65.066 63.200 0.132 0.000 1.067 99 S HN 0.681 nan 8.310 nan 0.000 0.546 100 A N 0.848 123.692 122.820 0.041 0.000 2.015 100 A HA -0.068 4.252 4.320 0.000 0.000 0.219 100 A C 2.143 179.735 177.584 0.014 0.000 1.163 100 A CA 1.325 53.382 52.037 0.033 0.000 0.646 100 A CB -0.867 18.154 19.000 0.035 0.000 0.806 100 A HN 0.922 nan 8.150 nan 0.000 0.448 101 E N 0.502 120.701 120.200 -0.001 0.000 2.152 101 E HA -0.187 4.163 4.350 0.000 0.000 0.192 101 E C 0.654 177.225 176.600 -0.048 0.000 0.983 101 E CA 1.218 57.608 56.400 -0.016 0.000 0.818 101 E CB -0.588 29.105 29.700 -0.013 0.000 0.758 101 E HN 0.553 nan 8.360 nan 0.000 0.467 102 D N 1.613 121.953 120.400 -0.101 0.000 2.144 102 D HA -0.057 4.583 4.640 0.000 0.000 0.200 102 D C 2.332 178.574 176.300 -0.096 0.000 0.978 102 D CA 0.622 54.483 54.000 -0.232 0.000 0.833 102 D CB -0.273 40.265 40.800 -0.437 0.000 0.961 102 D HN 0.198 nan 8.370 nan 0.000 0.470 103 L N 0.642 121.864 121.223 -0.001 0.000 2.012 103 L HA -0.209 4.131 4.340 0.000 0.000 0.210 103 L C 2.257 179.239 176.870 0.185 0.000 1.073 103 L CA 1.350 56.282 54.840 0.152 0.000 0.748 103 L CB -0.451 41.727 42.059 0.198 0.000 0.891 103 L HN -0.027 nan 8.230 nan 0.000 0.431 104 D N 0.030 120.470 120.400 0.068 0.000 2.097 104 D HA -0.187 4.453 4.640 0.000 0.000 0.195 104 D C 2.146 178.465 176.300 0.032 0.000 0.989 104 D CA 1.451 55.466 54.000 0.027 0.000 0.827 104 D CB 0.116 40.915 40.800 -0.002 0.000 0.966 104 D HN 0.257 nan 8.370 nan 0.000 0.456 105 A N -0.103 122.728 122.820 0.019 0.000 1.933 105 A HA -0.141 4.179 4.320 0.000 0.000 0.218 105 A C 2.349 179.966 177.584 0.055 0.000 1.175 105 A CA 1.441 53.488 52.037 0.018 0.000 0.628 105 A CB -0.585 18.407 19.000 -0.013 0.000 0.814 105 A HN 0.318 nan 8.150 nan 0.000 0.444 106 M N -0.822 118.834 119.600 0.094 0.000 2.132 106 M HA -0.107 4.373 4.480 0.000 0.000 0.263 106 M C 2.521 178.964 176.300 0.240 0.000 1.065 106 M CA 1.299 56.695 55.300 0.160 0.000 1.122 106 M CB -0.356 32.332 32.600 0.147 0.000 1.365 106 M HN 0.491 nan 8.290 nan 0.000 0.411 107 A N 0.322 123.294 122.820 0.253 0.000 1.972 107 A HA -0.027 4.293 4.320 0.000 0.000 0.219 107 A C 2.320 179.911 177.584 0.011 0.000 1.169 107 A CA 1.728 53.789 52.037 0.040 0.000 0.635 107 A CB -0.769 18.111 19.000 -0.199 0.000 0.810 107 A HN 0.497 nan 8.150 nan 0.000 0.446 108 A N 0.128 122.963 122.820 0.025 0.000 1.902 108 A HA -0.185 4.135 4.320 0.000 0.000 0.217 108 A C 1.891 179.491 177.584 0.027 0.000 1.181 108 A CA 1.654 53.698 52.037 0.013 0.000 0.623 108 A CB -0.512 18.495 19.000 0.012 0.000 0.818 108 A HN 0.644 nan 8.150 nan 0.000 0.443 109 E N -0.390 119.840 120.200 0.050 0.000 2.150 109 E HA -0.089 4.261 4.350 0.000 0.000 0.193 109 E C 1.918 178.551 176.600 0.054 0.000 0.985 109 E CA 1.064 57.495 56.400 0.051 0.000 0.814 109 E CB -0.244 29.492 29.700 0.061 0.000 0.752 109 E HN 0.406 nan 8.360 nan 0.000 0.466 110 V N 1.458 121.417 119.914 0.074 0.000 2.295 110 V HA -0.261 3.859 4.120 0.000 0.000 0.246 110 V C 2.334 178.448 176.094 0.032 0.000 1.049 110 V CA 1.901 64.244 62.300 0.072 0.000 1.024 110 V CB -0.633 31.255 31.823 0.108 0.000 0.648 110 V HN 0.325 nan 8.190 nan 0.000 0.447 111 A N -0.136 122.690 122.820 0.011 0.000 1.969 111 A HA -0.019 4.301 4.320 0.000 0.000 0.218 111 A C 2.313 179.899 177.584 0.003 0.000 1.169 111 A CA 1.742 53.777 52.037 -0.003 0.000 0.635 111 A CB -0.600 18.389 19.000 -0.018 0.000 0.810 111 A HN 0.570 nan 8.150 nan 0.000 0.445 112 A N 0.236 123.061 122.820 0.009 0.000 2.119 112 A HA 0.046 4.366 4.320 0.000 0.000 0.217 112 A C 2.251 179.842 177.584 0.011 0.000 1.153 112 A CA 1.641 53.683 52.037 0.009 0.000 0.692 112 A CB -0.702 18.305 19.000 0.011 0.000 0.799 112 A HN 0.932 nan 8.150 nan 0.000 0.458 113 S N -1.972 113.738 115.700 0.016 0.000 2.561 113 S HA 0.343 4.813 4.470 0.000 0.000 0.225 113 S C 1.414 176.019 174.600 0.009 0.000 0.977 113 S CA 1.141 59.350 58.200 0.015 0.000 0.926 113 S CB -0.212 63.003 63.200 0.025 0.000 0.769 113 S HN 1.789 nan 8.310 nan 0.000 0.533 114 G N -0.001 108.803 108.800 0.007 0.000 2.184 114 G HA2 -0.209 3.751 3.960 0.000 0.000 0.206 114 G HA3 -0.209 3.751 3.960 0.000 0.000 0.206 114 G C -0.028 174.873 174.900 0.001 0.000 0.995 114 G CA -0.189 44.912 45.100 0.002 0.000 0.651 114 G HN 0.648 nan 8.290 nan 0.000 0.511 115 V N 1.443 121.360 119.914 0.006 0.000 2.479 115 V HA 0.324 4.444 4.120 0.000 0.000 0.281 115 V C 1.616 177.706 176.094 -0.007 0.000 1.031 115 V CA 0.742 63.045 62.300 0.004 0.000 1.038 115 V CB 1.197 33.030 31.823 0.016 0.000 0.981 115 V HN 0.418 nan 8.190 nan 0.000 0.478 116 R N 2.124 122.619 120.500 -0.009 0.000 2.167 116 R HA 0.175 4.516 4.340 0.000 0.000 0.201 116 R C 0.072 176.360 176.300 -0.020 0.000 1.024 116 R CA 0.487 56.578 56.100 -0.016 0.000 1.053 116 R CB 0.660 30.952 30.300 -0.014 0.000 0.987 116 R HN 0.698 nan 8.270 nan 0.000 0.493 117 T N 0.764 115.311 114.554 -0.012 0.000 2.879 117 T HA 0.309 4.659 4.350 0.000 0.000 0.290 117 T C -0.898 173.800 174.700 -0.003 0.000 0.993 117 T CA -0.481 61.611 62.100 -0.012 0.000 0.975 117 T CB 2.781 71.643 68.868 -0.010 0.000 0.981 117 T HN -0.240 nan 8.240 nan 0.000 0.439 118 V N 4.458 124.368 119.914 -0.007 0.000 2.334 118 V HA 0.295 4.415 4.120 0.000 0.000 0.267 118 V C 1.335 177.430 176.094 0.002 0.000 1.040 118 V CA -0.513 61.791 62.300 0.006 0.000 0.866 118 V CB 0.871 32.694 31.823 -0.001 0.000 1.019 118 V HN 0.662 nan 8.190 nan 0.000 0.468 119 R N 3.715 124.224 120.500 0.015 0.000 2.075 119 R HA 0.112 4.452 4.340 0.000 0.000 0.226 119 R C 1.647 177.957 176.300 0.017 0.000 1.114 119 R CA 1.409 57.517 56.100 0.014 0.000 0.972 119 R CB -0.484 29.828 30.300 0.021 0.000 0.869 119 R HN 0.799 nan 8.270 nan 0.000 0.437 120 G N -0.736 108.084 108.800 0.034 0.000 3.152 120 G HA2 0.064 4.024 3.960 0.000 0.000 0.157 120 G HA3 0.064 4.024 3.960 0.000 0.000 0.157 120 G C -0.567 174.321 174.900 -0.020 0.000 1.786 120 G CA -0.184 44.938 45.100 0.037 0.000 1.055 120 G HN 0.182 nan 8.290 nan 0.000 0.528 121 D N -0.646 119.719 120.400 -0.058 0.000 2.350 121 D HA 0.456 5.097 4.640 0.000 0.000 0.238 121 D C -1.006 175.095 176.300 -0.332 0.000 0.989 121 D CA -0.395 53.451 54.000 -0.256 0.000 0.921 121 D CB 2.637 43.158 40.800 -0.466 0.000 1.297 121 D HN 0.159 nan 8.370 nan 0.000 0.490 122 L N 1.594 122.588 121.223 -0.381 0.000 2.295 122 L HA 0.404 4.744 4.340 0.000 0.000 0.285 122 L C -1.670 174.934 176.870 -0.444 0.000 1.035 122 L CA -0.330 54.343 54.840 -0.277 0.000 0.806 122 L CB 0.631 42.640 42.059 -0.084 0.000 1.214 122 L HN 0.268 nan 8.230 nan 0.000 0.426 123 Y N 3.430 123.563 120.300 -0.278 0.000 2.446 123 Y HA 0.748 5.298 4.550 0.000 0.000 0.345 123 Y C 0.119 175.949 175.900 -0.116 0.000 0.984 123 Y CA -0.830 57.099 58.100 -0.284 0.000 1.058 123 Y CB 2.175 40.227 38.460 -0.680 0.000 1.220 123 Y HN 0.740 nan 8.280 nan 0.000 0.455 124 A N 2.382 125.286 122.820 0.141 0.000 2.258 124 A HA 0.400 4.720 4.320 0.000 0.000 0.316 124 A C -1.248 176.407 177.584 0.119 0.000 1.279 124 A CA -0.536 51.557 52.037 0.093 0.000 0.876 124 A CB 0.317 19.348 19.000 0.052 0.000 1.170 124 A HN 0.640 nan 8.150 nan 0.000 0.520 125 D N 2.730 123.194 120.400 0.106 0.000 2.441 125 D HA 0.272 4.912 4.640 0.000 0.000 0.231 125 D C -0.606 175.710 176.300 0.027 0.000 1.073 125 D CA -0.320 53.734 54.000 0.090 0.000 0.850 125 D CB 1.226 42.098 40.800 0.121 0.000 1.062 125 D HN 0.513 nan 8.370 nan 0.000 0.524 126 D N 1.529 121.945 120.400 0.026 0.000 2.559 126 D HA -0.044 4.596 4.640 0.000 0.000 0.234 126 D C 1.154 177.476 176.300 0.036 0.000 1.226 126 D CA -0.180 53.822 54.000 0.003 0.000 0.830 126 D CB -0.208 40.594 40.800 0.002 0.000 1.028 126 D HN 0.299 nan 8.370 nan 0.000 0.492 127 T N -4.155 110.430 114.554 0.052 0.000 3.072 127 T HA -0.145 4.205 4.350 0.000 0.000 0.266 127 T C 1.471 176.235 174.700 0.106 0.000 1.127 127 T CA -0.043 62.092 62.100 0.058 0.000 1.107 127 T CB -0.848 68.033 68.868 0.022 0.000 0.910 127 T HN 0.410 nan 8.240 nan 0.000 0.513 128 W N 1.172 122.421 121.300 -0.085 0.000 2.350 128 W HA 0.027 4.687 4.660 0.000 0.000 0.289 128 W C -0.655 175.924 176.519 0.100 0.000 1.215 128 W CA 0.375 57.676 57.345 -0.073 0.000 1.236 128 W CB -0.032 29.303 29.460 -0.207 0.000 1.130 128 W HN 0.139 nan 8.180 nan 0.000 0.541 129 F N 1.466 121.399 119.950 -0.028 0.000 2.497 129 F HA 0.187 4.714 4.527 0.000 0.000 0.331 129 F C 0.687 176.405 175.800 -0.137 0.000 1.060 129 F CA -2.108 55.792 58.000 -0.165 0.000 0.989 129 F CB -0.300 38.614 39.000 -0.144 0.000 1.245 129 F HN -0.230 nan 8.300 nan 0.000 0.486 130 D N -1.113 119.295 120.400 0.013 0.000 2.369 130 D HA 0.099 4.739 4.640 0.000 0.000 0.241 130 D C 0.475 176.773 176.300 -0.003 0.000 1.271 130 D CA -0.234 53.746 54.000 -0.032 0.000 0.942 130 D CB 0.249 40.996 40.800 -0.089 0.000 1.129 130 D HN 0.346 nan 8.370 nan 0.000 0.476 131 S N -2.051 113.649 115.700 0.001 0.000 2.583 131 S HA 0.060 4.530 4.470 0.000 0.000 0.239 131 S C 0.321 174.938 174.600 0.027 0.000 0.966 131 S CA -0.701 57.514 58.200 0.023 0.000 0.973 131 S CB -0.567 62.651 63.200 0.029 0.000 0.794 131 S HN 0.549 nan 8.310 nan 0.000 0.463 132 E N 1.702 121.908 120.200 0.010 0.000 2.052 132 E HA 0.206 4.556 4.350 0.000 0.000 0.283 132 E C 0.536 177.208 176.600 0.121 0.000 1.071 132 E CA -0.498 55.944 56.400 0.071 0.000 0.851 132 E CB 0.358 30.123 29.700 0.109 0.000 1.066 132 E HN 0.226 nan 8.360 nan 0.000 0.396 133 R N 2.861 123.449 120.500 0.146 0.000 2.210 133 R HA 0.214 4.554 4.340 0.000 0.000 0.203 133 R C 0.246 176.721 176.300 0.291 0.000 1.010 133 R CA 0.444 56.653 56.100 0.181 0.000 1.008 133 R CB 0.033 30.420 30.300 0.144 0.000 0.923 133 R HN 0.449 nan 8.270 nan 0.000 0.469 134 L N -0.099 121.251 121.223 0.211 0.000 2.445 134 L HA 0.369 4.709 4.340 0.000 0.000 0.262 134 L C -0.443 176.072 176.870 -0.593 0.000 0.974 134 L CA -1.050 53.751 54.840 -0.064 0.000 0.822 134 L CB 2.793 44.925 42.059 0.120 0.000 1.339 134 L HN -0.362 nan 8.230 nan 0.000 0.409 135 V N 1.445 120.352 119.914 -1.679 0.000 2.740 135 V HA -0.076 4.044 4.120 0.000 0.000 0.303 135 V C 0.794 176.400 176.094 -0.814 0.000 1.054 135 V CA 0.380 61.676 62.300 -1.675 0.000 1.106 135 V CB 0.946 31.364 31.823 -2.341 0.000 0.957 135 V HN 1.033 nan 8.190 nan 0.000 0.486 136 D N 3.867 123.943 120.400 -0.540 0.000 2.303 136 D HA -0.323 4.317 4.640 0.000 0.000 0.190 136 D C 1.173 177.314 176.300 -0.265 0.000 1.011 136 D CA 2.043 55.856 54.000 -0.311 0.000 0.860 136 D CB -0.358 40.293 40.800 -0.248 0.000 0.961 136 D HN 0.796 nan 8.370 nan 0.000 0.453 137 D N -1.737 118.505 120.400 -0.264 0.000 2.319 137 D HA -0.036 4.604 4.640 0.000 0.000 0.230 137 D C -0.261 175.971 176.300 -0.112 0.000 1.094 137 D CA -0.576 53.294 54.000 -0.216 0.000 0.856 137 D CB -0.603 40.099 40.800 -0.163 0.000 0.915 137 D HN 0.281 nan 8.370 nan 0.000 0.517 138 W N 0.829 121.995 121.300 -0.223 0.000 2.137 138 W HA 0.297 4.957 4.660 0.000 0.000 0.344 138 W C 0.202 176.632 176.519 -0.147 0.000 1.286 138 W CA -1.244 56.050 57.345 -0.086 0.000 1.240 138 W CB -0.048 29.400 29.460 -0.020 0.000 1.141 138 W HN -0.073 nan 8.180 nan 0.000 0.579 139 W N 3.762 125.195 121.300 0.223 0.000 2.351 139 W HA 0.233 4.893 4.660 0.000 0.000 0.311 139 W C -1.101 175.487 176.519 0.115 0.000 1.168 139 W CA -1.766 55.659 57.345 0.134 0.000 1.200 139 W CB 0.301 29.823 29.460 0.103 0.000 1.221 139 W HN 0.191 nan 8.180 nan 0.000 0.519 140 P HA -0.220 nan 4.420 nan 0.000 0.218 140 P C 1.131 178.533 177.300 0.170 0.000 1.148 140 P CA 1.645 64.853 63.100 0.179 0.000 0.822 140 P CB 0.412 32.190 31.700 0.130 0.000 0.784 141 E N -0.688 119.650 120.200 0.230 0.000 2.482 141 E HA -0.073 4.277 4.350 0.000 0.000 0.196 141 E C 0.758 177.490 176.600 0.220 0.000 1.047 141 E CA 0.690 57.200 56.400 0.182 0.000 0.869 141 E CB -0.481 29.322 29.700 0.172 0.000 0.836 141 E HN 0.338 nan 8.360 nan 0.000 0.520 142 D N 0.470 121.011 120.400 0.234 0.000 2.348 142 D HA -0.018 4.622 4.640 0.000 0.000 0.211 142 D C 1.380 177.665 176.300 -0.025 0.000 0.998 142 D CA 0.181 54.331 54.000 0.250 0.000 0.873 142 D CB 0.139 41.100 40.800 0.269 0.000 0.925 142 D HN 0.273 nan 8.370 nan 0.000 0.524 143 E N 0.396 120.557 120.200 -0.066 0.000 2.204 143 E HA -0.122 4.228 4.350 0.000 0.000 0.195 143 E C -0.881 175.527 176.600 -0.320 0.000 0.990 143 E CA 0.744 57.061 56.400 -0.138 0.000 0.821 143 E CB -0.477 29.206 29.700 -0.028 0.000 0.750 143 E HN 0.306 nan 8.360 nan 0.000 0.477 144 P HA -0.077 nan 4.420 nan 0.000 0.237 144 P C -0.593 176.263 177.300 -0.740 0.000 1.178 144 P CA 0.859 63.542 63.100 -0.695 0.000 0.766 144 P CB -0.007 31.196 31.700 -0.827 0.000 0.876 145 Y N -1.376 118.787 120.300 -0.228 0.000 2.352 145 Y HA 0.496 5.046 4.550 0.000 0.000 0.326 145 Y C 1.950 177.643 175.900 -0.346 0.000 1.166 145 Y CA -1.096 56.832 58.100 -0.287 0.000 1.182 145 Y CB 0.500 38.761 38.460 -0.332 0.000 1.216 145 Y HN -0.226 nan 8.280 nan 0.000 0.474 146 A N 2.242 125.058 122.820 -0.007 0.000 1.948 146 A HA -0.283 4.037 4.320 0.000 0.000 0.220 146 A C 1.790 179.374 177.584 -0.000 0.000 1.177 146 A CA 2.240 54.280 52.037 0.004 0.000 0.636 146 A CB -1.322 17.713 19.000 0.059 0.000 0.815 146 A HN 0.969 nan 8.150 nan 0.000 0.449 147 Y N -1.563 118.765 120.300 0.047 0.000 2.497 147 Y HA 0.153 4.703 4.550 0.000 0.000 0.292 147 Y C 1.937 177.789 175.900 -0.080 0.000 1.137 147 Y CA 1.028 59.123 58.100 -0.009 0.000 1.285 147 Y CB -0.651 37.790 38.460 -0.032 0.000 0.991 147 Y HN 0.189 nan 8.280 nan 0.000 0.556 148 S N 0.622 116.002 115.700 -0.532 0.000 2.582 148 S HA 0.551 5.021 4.470 0.000 0.000 0.234 148 S C 0.817 175.377 174.600 -0.065 0.000 0.961 148 S CA -0.186 57.792 58.200 -0.369 0.000 0.953 148 S CB -1.159 61.761 63.200 -0.467 0.000 0.800 148 S HN 0.634 nan 8.310 nan 0.000 0.471 149 A N 1.461 124.280 122.820 -0.002 0.000 2.587 149 A HA 0.171 4.491 4.320 0.000 0.000 0.233 149 A C 0.411 178.126 177.584 0.218 0.000 1.049 149 A CA 0.229 52.320 52.037 0.090 0.000 0.754 149 A CB -0.006 19.055 19.000 0.101 0.000 0.977 149 A HN 0.711 nan 8.150 nan 0.000 0.509 150 Q N 0.358 120.275 119.800 0.195 0.000 2.349 150 Q HA 0.142 4.482 4.340 0.000 0.000 0.287 150 Q C -0.275 175.866 176.000 0.236 0.000 1.044 150 Q CA 0.141 56.084 55.803 0.233 0.000 0.918 150 Q CB 0.445 29.282 28.738 0.164 0.000 1.242 150 Q HN 0.547 nan 8.270 nan 0.000 0.405 151 I N 1.684 122.409 120.570 0.260 0.000 2.365 151 I HA 0.239 4.409 4.170 0.000 0.000 0.291 151 I C 0.223 176.424 176.117 0.141 0.000 1.004 151 I CA 0.332 61.751 61.300 0.199 0.000 1.311 151 I CB 0.975 39.065 38.000 0.149 0.000 1.401 151 I HN 0.492 nan 8.210 nan 0.000 0.491 152 S N 3.638 119.440 115.700 0.169 0.000 2.556 152 S HA 0.658 5.128 4.470 0.000 0.000 0.271 152 S C 0.564 175.224 174.600 0.100 0.000 1.135 152 S CA 0.014 58.305 58.200 0.150 0.000 0.858 152 S CB 1.834 65.082 63.200 0.080 0.000 1.114 152 S HN 0.674 nan 8.310 nan 0.000 0.468 153 A N 2.590 125.344 122.820 -0.110 0.000 2.066 153 A HA 0.288 4.608 4.320 0.000 0.000 0.218 153 A C 0.717 178.141 177.584 -0.267 0.000 1.157 153 A CA 0.676 52.386 52.037 -0.545 0.000 0.670 153 A CB -0.259 18.334 19.000 -0.680 0.000 0.804 153 A HN 0.692 nan 8.150 nan 0.000 0.453 154 L N 0.689 121.837 121.223 -0.126 0.000 2.318 154 L HA 0.473 4.813 4.340 0.000 0.000 0.277 154 L C -0.782 176.064 176.870 -0.041 0.000 1.008 154 L CA 0.006 54.792 54.840 -0.090 0.000 0.846 154 L CB 1.402 43.418 42.059 -0.071 0.000 1.220 154 L HN 0.205 nan 8.230 nan 0.000 0.423 155 T N 2.911 117.445 114.554 -0.032 0.000 2.894 155 T HA 0.501 4.851 4.350 0.000 0.000 0.309 155 T C -1.180 173.533 174.700 0.022 0.000 1.208 155 T CA -0.292 61.814 62.100 0.010 0.000 1.016 155 T CB 1.926 70.823 68.868 0.048 0.000 1.192 155 T HN 0.136 nan 8.240 nan 0.000 0.491 156 V N 3.458 123.400 119.914 0.047 0.000 2.407 156 V HA 0.734 4.854 4.120 0.000 0.000 0.278 156 V C 0.671 176.847 176.094 0.137 0.000 1.037 156 V CA -0.718 61.628 62.300 0.076 0.000 0.900 156 V CB 0.987 32.850 31.823 0.067 0.000 0.983 156 V HN 1.087 nan 8.190 nan 0.000 0.459 157 A N 3.709 126.640 122.820 0.185 0.000 2.309 157 A HA 0.584 4.904 4.320 0.000 0.000 0.298 157 A C -0.437 177.317 177.584 0.284 0.000 1.165 157 A CA -0.304 51.908 52.037 0.292 0.000 0.821 157 A CB 0.065 19.325 19.000 0.433 0.000 1.102 157 A HN 1.026 nan 8.150 nan 0.000 0.500 158 H N 1.304 120.465 119.070 0.153 0.000 2.458 158 H HA 0.541 5.097 4.556 0.000 0.000 0.330 158 H C 0.710 176.039 175.328 0.002 0.000 1.111 158 H CA 0.985 57.076 56.048 0.073 0.000 1.245 158 H CB 1.004 30.795 29.762 0.047 0.000 1.456 158 H HN 1.553 nan 8.280 nan 0.000 0.488 159 G N 3.325 111.794 108.800 -0.552 0.000 2.855 159 G HA2 -0.298 3.662 3.960 0.000 0.000 0.352 159 G HA3 -0.298 3.662 3.960 0.000 0.000 0.352 159 G C 0.855 175.476 174.900 -0.465 0.000 1.415 159 G CA 0.160 45.008 45.100 -0.420 0.000 0.871 159 G HN 0.905 nan 8.290 nan 0.000 0.543 160 E N -0.294 119.659 120.200 -0.412 0.000 2.338 160 E HA -0.085 4.265 4.350 0.000 0.000 0.197 160 E C 2.114 178.413 176.600 -0.501 0.000 1.007 160 E CA 1.129 57.209 56.400 -0.534 0.000 0.849 160 E CB -0.001 29.596 29.700 -0.173 0.000 0.774 160 E HN 0.590 nan 8.360 nan 0.000 0.506 161 R N -0.351 119.969 120.500 -0.301 0.000 2.275 161 R HA 0.102 4.442 4.340 0.000 0.000 0.199 161 R C -0.153 176.180 176.300 0.056 0.000 0.989 161 R CA 0.352 56.334 56.100 -0.197 0.000 1.016 161 R CB -0.220 29.799 30.300 -0.469 0.000 0.918 161 R HN 0.148 nan 8.270 nan 0.000 0.473 162 F N 1.262 121.307 119.950 0.158 0.000 3.040 162 F HA -0.217 4.310 4.527 0.000 0.000 0.298 162 F C -0.695 175.226 175.800 0.201 0.000 0.948 162 F CA 0.004 58.137 58.000 0.221 0.000 1.022 162 F CB -1.398 37.812 39.000 0.351 0.000 1.023 162 F HN 0.057 nan 8.300 nan 0.000 0.742 163 D N 1.620 122.168 120.400 0.247 0.000 2.339 163 D HA 0.177 4.817 4.640 0.000 0.000 0.256 163 D C 0.813 177.240 176.300 0.212 0.000 1.214 163 D CA 0.470 54.574 54.000 0.174 0.000 0.877 163 D CB 1.136 41.998 40.800 0.104 0.000 1.111 163 D HN 0.306 nan 8.370 nan 0.000 0.478 164 T N -1.546 113.133 114.554 0.207 0.000 2.922 164 T HA 0.480 4.830 4.350 0.000 0.000 0.285 164 T C 1.212 175.994 174.700 0.138 0.000 1.005 164 T CA -0.195 62.020 62.100 0.191 0.000 1.061 164 T CB 1.679 70.673 68.868 0.210 0.000 1.007 164 T HN 0.519 nan 8.240 nan 0.000 0.502 165 G N 0.410 109.280 108.800 0.115 0.000 2.179 165 G HA2 -0.119 3.841 3.960 0.000 0.000 0.257 165 G HA3 -0.119 3.841 3.960 0.000 0.000 0.257 165 G C 0.091 175.034 174.900 0.071 0.000 1.010 165 G CA 0.329 45.484 45.100 0.092 0.000 0.736 165 G HN 1.877 nan 8.290 nan 0.000 0.513 166 V N -3.826 116.126 119.914 0.064 0.000 3.074 166 V HA 0.979 5.099 4.120 0.000 0.000 0.314 166 V C 0.052 176.154 176.094 0.014 0.000 1.117 166 V CA -0.110 62.204 62.300 0.023 0.000 1.014 166 V CB 2.033 33.849 31.823 -0.012 0.000 1.057 166 V HN 0.716 nan 8.190 nan 0.000 0.438 167 T N 0.757 115.301 114.554 -0.017 0.000 2.932 167 T HA 0.476 4.826 4.350 0.000 0.000 0.289 167 T C -0.813 173.819 174.700 -0.113 0.000 1.039 167 T CA -0.414 61.672 62.100 -0.023 0.000 1.024 167 T CB 1.665 70.548 68.868 0.025 0.000 1.090 167 T HN 1.089 nan 8.240 nan 0.000 0.496 168 E N 2.487 122.608 120.200 -0.132 0.000 2.134 168 E HA 0.534 4.884 4.350 0.000 0.000 0.278 168 E C -1.225 175.350 176.600 -0.042 0.000 0.959 168 E CA -0.669 55.639 56.400 -0.152 0.000 0.783 168 E CB 0.931 30.521 29.700 -0.184 0.000 1.095 168 E HN 0.374 nan 8.360 nan 0.000 0.399 169 V N 3.786 123.680 119.914 -0.034 0.000 2.398 169 V HA 0.299 4.419 4.120 0.000 0.000 0.286 169 V C -0.228 175.866 176.094 0.000 0.000 1.026 169 V CA -0.606 61.690 62.300 -0.007 0.000 0.868 169 V CB 1.638 33.458 31.823 -0.006 0.000 0.982 169 V HN 0.636 nan 8.190 nan 0.000 0.443 170 S N 3.560 119.265 115.700 0.009 0.000 2.472 170 S HA 0.705 5.175 4.470 0.000 0.000 0.303 170 S C -0.480 174.127 174.600 0.010 0.000 1.099 170 S CA -0.560 57.647 58.200 0.011 0.000 1.077 170 S CB 1.819 65.029 63.200 0.017 0.000 1.031 170 S HN 0.466 nan 8.310 nan 0.000 0.487 171 V N 3.314 123.234 119.914 0.010 0.000 2.443 171 V HA 0.434 4.554 4.120 0.000 0.000 0.293 171 V C -0.227 175.872 176.094 0.008 0.000 1.021 171 V CA -0.625 61.680 62.300 0.009 0.000 0.848 171 V CB 1.619 33.447 31.823 0.008 0.000 0.998 171 V HN 0.891 nan 8.190 nan 0.000 0.424 172 T N 7.887 122.446 114.554 0.008 0.000 2.771 172 T HA 0.476 4.827 4.350 0.000 0.000 0.281 172 T C -2.550 172.154 174.700 0.006 0.000 0.982 172 T CA -1.209 60.895 62.100 0.007 0.000 0.978 172 T CB 1.943 70.816 68.868 0.008 0.000 0.930 172 T HN 0.454 nan 8.240 nan 0.000 0.447 173 P HA 0.443 nan 4.420 nan 0.000 0.276 173 P C -0.350 176.953 177.300 0.004 0.000 1.244 173 P CA -0.421 62.682 63.100 0.005 0.000 0.801 173 P CB 0.899 32.601 31.700 0.004 0.000 1.006 174 A N 1.835 124.657 122.820 0.004 0.000 3.623 174 A HA 0.721 5.041 4.320 0.000 0.000 0.157 174 A C 0.367 177.952 177.584 0.003 0.000 1.850 174 A CA 0.087 52.127 52.037 0.003 0.000 1.186 174 A CB -0.675 18.327 19.000 0.003 0.000 1.824 174 A HN 0.607 nan 8.150 nan 0.000 0.710 175 A N -0.829 121.993 122.820 0.002 0.000 2.269 175 A HA 0.552 4.872 4.320 0.000 0.000 0.319 175 A C 0.114 177.699 177.584 0.002 0.000 1.110 175 A CA -0.273 51.765 52.037 0.002 0.000 0.847 175 A CB 0.021 19.023 19.000 0.002 0.000 1.161 175 A HN 0.744 nan 8.150 nan 0.000 0.497 176 E N 0.037 120.238 120.200 0.002 0.000 2.829 176 E HA 0.148 4.498 4.350 0.000 0.000 0.264 176 E C 1.211 177.812 176.600 0.001 0.000 0.922 176 E CA 1.294 57.694 56.400 0.001 0.000 0.960 176 E CB -0.107 29.593 29.700 0.001 0.000 0.918 176 E HN 1.706 nan 8.360 nan 0.000 0.497 177 G N 3.416 112.217 108.800 0.001 0.000 2.203 177 G HA2 -0.324 3.636 3.960 0.000 0.000 0.263 177 G HA3 -0.324 3.636 3.960 0.000 0.000 0.263 177 G C -0.172 174.728 174.900 0.001 0.000 1.012 177 G CA 0.758 45.859 45.100 0.001 0.000 0.749 177 G HN 0.599 nan 8.290 nan 0.000 0.512 178 E N 0.074 120.275 120.200 0.002 0.000 2.235 178 E HA 0.504 4.854 4.350 0.000 0.000 0.265 178 E C -2.545 174.056 176.600 0.002 0.000 0.940 178 E CA -2.401 54.000 56.400 0.002 0.000 0.819 178 E CB 1.746 31.448 29.700 0.002 0.000 1.206 178 E HN 0.096 nan 8.360 nan 0.000 0.409 179 P HA 0.043 nan 4.420 nan 0.000 0.272 179 P C -1.246 176.056 177.300 0.003 0.000 1.223 179 P CA -0.042 63.060 63.100 0.002 0.000 0.784 179 P CB 0.599 32.300 31.700 0.002 0.000 0.923 180 A N 1.464 124.286 122.820 0.003 0.000 2.302 180 A HA 0.367 4.687 4.320 0.000 0.000 0.285 180 A C -0.194 177.393 177.584 0.004 0.000 1.105 180 A CA -0.243 51.796 52.037 0.004 0.000 0.816 180 A CB -0.116 18.887 19.000 0.005 0.000 1.067 180 A HN 0.537 nan 8.150 nan 0.000 0.489 181 D N 0.421 120.824 120.400 0.005 0.000 2.225 181 D HA 0.476 5.116 4.640 0.000 0.000 0.248 181 D C -0.897 175.407 176.300 0.007 0.000 1.096 181 D CA 0.041 54.045 54.000 0.006 0.000 0.863 181 D CB 1.112 41.916 40.800 0.007 0.000 1.156 181 D HN 0.199 nan 8.370 nan 0.000 0.450 182 V N 3.598 123.516 119.914 0.007 0.000 2.487 182 V HA 0.364 4.484 4.120 0.000 0.000 0.298 182 V C -0.717 175.383 176.094 0.010 0.000 1.028 182 V CA -0.863 61.442 62.300 0.008 0.000 0.860 182 V CB 1.853 33.679 31.823 0.005 0.000 0.991 182 V HN 0.580 nan 8.190 nan 0.000 0.427 183 D N 3.400 123.808 120.400 0.013 0.000 2.217 183 D HA 0.470 5.111 4.640 0.000 0.000 0.243 183 D C 0.498 176.809 176.300 0.019 0.000 1.054 183 D CA -0.566 53.445 54.000 0.019 0.000 0.838 183 D CB 2.131 42.945 40.800 0.023 0.000 1.162 183 D HN 0.200 nan 8.370 nan 0.000 0.472 184 L N 1.816 123.053 121.223 0.024 0.000 2.270 184 L HA 0.256 4.596 4.340 0.000 0.000 0.210 184 L C 1.527 178.418 176.870 0.036 0.000 1.104 184 L CA 1.329 56.184 54.840 0.025 0.000 0.804 184 L CB -1.292 40.783 42.059 0.026 0.000 0.937 184 L HN 0.807 nan 8.230 nan 0.000 0.450 185 G N -1.048 107.782 108.800 0.049 0.000 2.503 185 G HA2 -0.263 3.697 3.960 0.000 0.000 0.235 185 G HA3 -0.263 3.697 3.960 0.000 0.000 0.235 185 G C 0.983 175.936 174.900 0.089 0.000 1.179 185 G CA 0.258 45.398 45.100 0.066 0.000 0.944 185 G HN 0.436 nan 8.290 nan 0.000 0.580 186 A N -0.351 122.532 122.820 0.104 0.000 2.032 186 A HA 0.276 4.596 4.320 0.000 0.000 0.221 186 A C 2.777 180.446 177.584 0.142 0.000 1.165 186 A CA 3.492 55.603 52.037 0.123 0.000 0.645 186 A CB -0.821 18.253 19.000 0.123 0.000 0.807 186 A HN 2.345 nan 8.150 nan 0.000 0.453 187 A N -0.729 122.159 122.820 0.114 0.000 2.208 187 A HA 0.243 4.563 4.320 0.000 0.000 0.209 187 A C 0.849 178.483 177.584 0.083 0.000 1.161 187 A CA 0.488 52.603 52.037 0.130 0.000 0.782 187 A CB -0.240 18.841 19.000 0.136 0.000 0.816 187 A HN 0.448 nan 8.150 nan 0.000 0.477 188 E N -0.027 120.224 120.200 0.085 0.000 2.585 188 E HA 0.314 4.664 4.350 0.000 0.000 0.252 188 E C 1.241 177.886 176.600 0.075 0.000 0.981 188 E CA 1.193 57.634 56.400 0.069 0.000 0.943 188 E CB -0.322 29.427 29.700 0.082 0.000 0.923 188 E HN 0.768 nan 8.360 nan 0.000 0.486 189 G N 3.194 111.995 108.800 0.002 0.000 2.176 189 G HA2 -0.368 3.592 3.960 0.000 0.000 0.253 189 G HA3 -0.368 3.592 3.960 0.000 0.000 0.253 189 G C 0.441 175.184 174.900 -0.262 0.000 0.979 189 G CA 0.493 45.577 45.100 -0.027 0.000 0.641 189 G HN 0.618 nan 8.290 nan 0.000 0.530 190 Y N 0.588 120.617 120.300 -0.452 0.000 2.678 190 Y HA 0.710 5.260 4.550 0.000 0.000 0.274 190 Y C 1.662 177.454 175.900 -0.180 0.000 1.114 190 Y CA 1.426 59.278 58.100 -0.413 0.000 1.274 190 Y CB 0.011 38.185 38.460 -0.478 0.000 1.438 190 Y HN 0.642 nan 8.280 nan 0.000 0.493 191 A N 1.511 124.204 122.820 -0.211 0.000 2.302 191 A HA 0.463 4.783 4.320 0.000 0.000 0.285 191 A C -0.446 177.047 177.584 -0.152 0.000 1.105 191 A CA -0.384 51.516 52.037 -0.229 0.000 0.816 191 A CB 0.049 19.009 19.000 -0.068 0.000 1.067 191 A HN 0.523 nan 8.150 nan 0.000 0.489 192 E N 0.347 120.464 120.200 -0.138 0.000 2.283 192 E HA 0.561 4.911 4.350 0.000 0.000 0.267 192 E C -1.017 175.548 176.600 -0.058 0.000 1.045 192 E CA -0.755 55.592 56.400 -0.089 0.000 0.884 192 E CB 1.102 30.753 29.700 -0.083 0.000 1.106 192 E HN 0.385 nan 8.360 nan 0.000 0.408 193 L N 1.818 123.017 121.223 -0.040 0.000 2.322 193 L HA 0.402 4.742 4.340 0.000 0.000 0.281 193 L C -1.380 175.476 176.870 -0.023 0.000 1.014 193 L CA -0.394 54.430 54.840 -0.027 0.000 0.815 193 L CB 1.627 43.676 42.059 -0.017 0.000 1.247 193 L HN 0.650 nan 8.230 nan 0.000 0.421 194 D N 3.191 123.579 120.400 -0.020 0.000 2.432 194 D HA 0.206 4.846 4.640 0.000 0.000 0.265 194 D C -0.986 175.308 176.300 -0.010 0.000 1.160 194 D CA -0.208 53.783 54.000 -0.016 0.000 0.911 194 D CB 0.340 41.130 40.800 -0.017 0.000 1.052 194 D HN 0.476 nan 8.370 nan 0.000 0.508 195 N N 2.321 121.016 118.700 -0.007 0.000 2.462 195 N HA 0.155 4.895 4.740 0.000 0.000 0.242 195 N C 0.315 175.824 175.510 -0.002 0.000 1.010 195 N CA -0.215 52.833 53.050 -0.004 0.000 0.939 195 N CB 0.540 39.025 38.487 -0.002 0.000 1.127 195 N HN 0.157 nan 8.380 nan 0.000 0.509 196 R N 1.713 122.212 120.500 -0.001 0.000 2.397 196 R HA 0.293 4.633 4.340 0.000 0.000 0.241 196 R C 0.133 176.434 176.300 0.002 0.000 0.914 196 R CA -0.338 55.762 56.100 0.000 0.000 1.071 196 R CB -0.063 30.237 30.300 0.000 0.000 1.116 196 R HN 0.474 nan 8.270 nan 0.000 0.524 197 A N 1.704 124.526 122.820 0.002 0.000 2.445 197 A HA 0.387 4.707 4.320 0.000 0.000 0.242 197 A C 0.716 178.302 177.584 0.003 0.000 1.075 197 A CA -0.273 51.766 52.037 0.004 0.000 0.777 197 A CB 0.436 19.439 19.000 0.005 0.000 1.013 197 A HN 0.084 nan 8.150 nan 0.000 0.493 198 V N -0.773 119.143 119.914 0.003 0.000 3.158 198 V HA 0.850 4.970 4.120 0.000 0.000 0.315 198 V C -0.054 176.042 176.094 0.003 0.000 1.148 198 V CA -0.671 61.630 62.300 0.003 0.000 1.042 198 V CB 1.522 33.346 31.823 0.002 0.000 1.101 198 V HN 0.782 nan 8.190 nan 0.000 0.448 199 T N 1.693 116.248 114.554 0.003 0.000 2.749 199 T HA 0.674 5.024 4.350 0.000 0.000 0.287 199 T C 0.393 175.094 174.700 0.002 0.000 0.970 199 T CA 0.333 62.434 62.100 0.003 0.000 0.980 199 T CB 0.919 69.789 68.868 0.003 0.000 0.924 199 T HN 1.279 nan 8.240 nan 0.000 0.456 200 G N 1.488 110.290 108.800 0.002 0.000 2.580 200 G HA2 0.578 4.538 3.960 0.000 0.000 0.278 200 G HA3 0.578 4.538 3.960 0.000 0.000 0.278 200 G C 0.129 175.030 174.900 0.001 0.000 1.212 200 G CA -0.819 44.282 45.100 0.002 0.000 0.939 200 G HN 0.992 nan 8.290 nan 0.000 0.513 201 A N -0.449 122.372 122.820 0.001 0.000 2.466 201 A HA 0.539 4.859 4.320 0.000 0.000 0.238 201 A C 1.150 178.735 177.584 0.001 0.000 1.074 201 A CA 0.408 52.446 52.037 0.001 0.000 0.774 201 A CB -0.270 18.731 19.000 0.001 0.000 1.015 201 A HN 2.021 nan 8.150 nan 0.000 0.498 202 A N 0.820 123.641 122.820 0.001 0.000 2.566 202 A HA 0.451 4.771 4.320 0.000 0.000 0.245 202 A C 1.718 179.302 177.584 0.000 0.000 1.056 202 A CA 0.982 53.019 52.037 0.001 0.000 0.757 202 A CB -1.019 17.981 19.000 0.001 0.000 0.979 202 A HN 2.792 nan 8.150 nan 0.000 0.508 203 G N 1.800 110.600 108.800 0.000 0.000 2.179 203 G HA2 -0.213 3.747 3.960 0.000 0.000 0.260 203 G HA3 -0.213 3.747 3.960 0.000 0.000 0.260 203 G C 0.700 175.600 174.900 -0.000 0.000 0.977 203 G CA 0.992 46.092 45.100 -0.000 0.000 0.641 203 G HN 2.233 nan 8.290 nan 0.000 0.533 204 S N 0.249 115.949 115.700 -0.000 0.000 2.580 204 S HA 0.600 5.070 4.470 0.000 0.000 0.266 204 S C 0.872 175.472 174.600 -0.000 0.000 1.354 204 S CA 0.479 58.679 58.200 -0.000 0.000 1.008 204 S CB 1.457 64.657 63.200 0.000 0.000 0.898 204 S HN 1.973 nan 8.310 nan 0.000 0.555 205 A N 2.012 124.832 122.820 -0.001 0.000 2.524 205 A HA 0.239 4.559 4.320 0.000 0.000 0.250 205 A C 0.596 178.179 177.584 -0.000 0.000 1.078 205 A CA -0.419 51.618 52.037 -0.001 0.000 0.761 205 A CB -0.492 18.507 19.000 -0.001 0.000 1.012 205 A HN 0.822 nan 8.150 nan 0.000 0.500 206 N N 1.912 120.612 118.700 -0.000 0.000 2.430 206 N HA 0.162 4.902 4.740 0.000 0.000 0.265 206 N C 0.601 176.111 175.510 0.001 0.000 1.100 206 N CA 0.692 53.742 53.050 0.001 0.000 0.961 206 N CB 0.795 39.282 38.487 0.000 0.000 1.075 206 N HN 0.650 nan 8.380 nan 0.000 0.478 207 T N 1.039 115.595 114.554 0.003 0.000 3.252 207 T HA 0.177 4.527 4.350 0.000 0.000 0.286 207 T C 0.508 175.212 174.700 0.007 0.000 1.013 207 T CA -0.523 61.579 62.100 0.004 0.000 0.914 207 T CB -0.289 68.581 68.868 0.004 0.000 1.131 207 T HN 0.236 nan 8.240 nan 0.000 0.529 208 L N 2.689 123.916 121.223 0.008 0.000 2.490 208 L HA 0.479 4.819 4.340 0.000 0.000 0.274 208 L C -0.649 176.232 176.870 0.017 0.000 1.201 208 L CA 0.301 55.148 54.840 0.011 0.000 0.869 208 L CB 0.704 42.769 42.059 0.010 0.000 1.123 208 L HN 0.201 nan 8.230 nan 0.000 0.484 209 V N 6.842 126.769 119.914 0.022 0.000 2.524 209 V HA 0.408 4.528 4.120 0.000 0.000 0.297 209 V C -0.258 175.857 176.094 0.035 0.000 1.035 209 V CA -0.505 61.815 62.300 0.034 0.000 0.867 209 V CB 1.598 33.441 31.823 0.033 0.000 1.004 209 V HN 0.541 nan 8.190 nan 0.000 0.426 210 I N 4.127 124.727 120.570 0.050 0.000 2.339 210 I HA 0.554 4.724 4.170 0.000 0.000 0.290 210 I C -0.494 175.649 176.117 0.044 0.000 0.994 210 I CA 0.003 61.326 61.300 0.039 0.000 1.191 210 I CB 1.513 39.534 38.000 0.035 0.000 1.343 210 I HN 0.518 nan 8.210 nan 0.000 0.458 211 D N 4.991 125.395 120.400 0.007 0.000 2.423 211 D HA 0.468 5.108 4.640 0.000 0.000 0.235 211 D C -0.900 175.360 176.300 -0.066 0.000 1.011 211 D CA -0.804 53.181 54.000 -0.025 0.000 0.963 211 D CB 2.138 42.935 40.800 -0.004 0.000 1.349 211 D HN 0.420 nan 8.370 nan 0.000 0.508 212 R N 2.202 122.635 120.500 -0.112 0.000 2.545 212 R HA 0.434 4.774 4.340 0.000 0.000 0.289 212 R C -2.644 173.606 176.300 -0.083 0.000 1.327 212 R CA -1.563 54.480 56.100 -0.096 0.000 1.040 212 R CB 1.297 31.529 30.300 -0.113 0.000 1.176 212 R HN 0.197 nan 8.270 nan 0.000 0.518 213 P HA -0.078 nan 4.420 nan 0.000 0.266 213 P C -0.242 177.042 177.300 -0.026 0.000 1.195 213 P CA -0.264 62.818 63.100 -0.029 0.000 0.768 213 P CB 0.563 32.252 31.700 -0.019 0.000 0.838 214 V N 0.295 120.202 119.914 -0.010 0.000 2.788 214 V HA 0.287 4.407 4.120 0.000 0.000 0.307 214 V C 1.574 177.667 176.094 -0.002 0.000 1.069 214 V CA 0.371 62.671 62.300 -0.001 0.000 1.173 214 V CB -0.891 30.944 31.823 0.020 0.000 0.925 214 V HN 0.999 nan 8.190 nan 0.000 0.492 215 G N 2.332 111.132 108.800 0.000 0.000 2.162 215 G HA2 -0.194 3.766 3.960 0.000 0.000 0.260 215 G HA3 -0.194 3.766 3.960 0.000 0.000 0.260 215 G C 0.298 175.191 174.900 -0.011 0.000 0.976 215 G CA 0.742 45.842 45.100 0.000 0.000 0.655 215 G HN 1.890 nan 8.290 nan 0.000 0.533 216 T N -2.965 111.577 114.554 -0.021 0.000 2.942 216 T HA 0.647 4.997 4.350 0.000 0.000 0.289 216 T C -0.078 174.593 174.700 -0.049 0.000 1.044 216 T CA -0.323 61.756 62.100 -0.036 0.000 1.023 216 T CB 2.102 70.947 68.868 -0.038 0.000 1.123 216 T HN 0.102 nan 8.240 nan 0.000 0.512 217 N N 0.667 119.322 118.700 -0.075 0.000 2.761 217 N HA 0.329 5.069 4.740 0.000 0.000 0.317 217 N C -1.218 174.226 175.510 -0.110 0.000 1.546 217 N CA -0.305 52.681 53.050 -0.106 0.000 1.015 217 N CB 0.131 38.503 38.487 -0.191 0.000 1.343 217 N HN 0.692 nan 8.380 nan 0.000 0.504 218 T N 1.135 115.644 114.554 -0.076 0.000 2.841 218 T HA 0.405 4.755 4.350 0.000 0.000 0.285 218 T C -0.180 174.488 174.700 -0.052 0.000 0.991 218 T CA -0.496 61.565 62.100 -0.065 0.000 0.966 218 T CB 1.220 70.056 68.868 -0.053 0.000 0.962 218 T HN -0.012 nan 8.240 nan 0.000 0.438 219 I N 3.373 123.916 120.570 -0.045 0.000 2.297 219 I HA 0.464 4.634 4.170 0.000 0.000 0.291 219 I C 0.491 176.592 176.117 -0.027 0.000 1.033 219 I CA -0.691 60.588 61.300 -0.036 0.000 1.253 219 I CB 0.375 38.358 38.000 -0.028 0.000 1.396 219 I HN 0.686 nan 8.210 nan 0.000 0.476 220 A N 7.417 130.222 122.820 -0.024 0.000 2.271 220 A HA 0.685 5.005 4.320 0.000 0.000 0.317 220 A C -0.451 177.129 177.584 -0.006 0.000 1.245 220 A CA -0.464 51.564 52.037 -0.015 0.000 0.857 220 A CB 0.940 19.931 19.000 -0.015 0.000 1.175 220 A HN 0.417 nan 8.150 nan 0.000 0.512 221 V N 3.297 123.209 119.914 -0.003 0.000 2.384 221 V HA 0.635 4.755 4.120 0.000 0.000 0.287 221 V C 0.498 176.595 176.094 0.004 0.000 1.020 221 V CA -0.066 62.236 62.300 0.003 0.000 0.850 221 V CB 1.252 33.077 31.823 0.003 0.000 0.987 221 V HN 1.102 nan 8.190 nan 0.000 0.436 222 T N 1.109 115.668 114.554 0.008 0.000 2.883 222 T HA 0.953 5.303 4.350 0.000 0.000 0.284 222 T C 0.306 175.012 174.700 0.009 0.000 1.041 222 T CA -0.072 62.033 62.100 0.008 0.000 1.007 222 T CB 1.791 70.664 68.868 0.009 0.000 1.220 222 T HN 1.852 nan 8.240 nan 0.000 0.552 223 G N 0.284 109.088 108.800 0.007 0.000 2.615 223 G HA2 0.196 4.157 3.960 0.000 0.000 0.218 223 G HA3 0.196 4.157 3.960 0.000 0.000 0.218 223 G C -0.268 174.636 174.900 0.005 0.000 1.339 223 G CA -0.121 44.983 45.100 0.007 0.000 0.884 223 G HN 1.707 nan 8.290 nan 0.000 0.559 224 S N -1.290 114.413 115.700 0.005 0.000 2.538 224 S HA 0.677 5.147 4.470 0.000 0.000 0.288 224 S C -1.088 173.514 174.600 0.004 0.000 1.108 224 S CA -0.336 57.866 58.200 0.004 0.000 0.971 224 S CB 1.512 64.713 63.200 0.003 0.000 1.041 224 S HN 1.721 nan 8.310 nan 0.000 0.483 225 L N 6.232 127.457 121.223 0.004 0.000 2.325 225 L HA 0.681 5.021 4.340 0.000 0.000 0.281 225 L C -2.386 174.485 176.870 0.003 0.000 1.004 225 L CA -1.909 52.933 54.840 0.004 0.000 0.823 225 L CB 1.594 43.656 42.059 0.005 0.000 1.236 225 L HN 0.451 nan 8.230 nan 0.000 0.415 226 P HA 0.003 nan 4.420 nan 0.000 0.266 226 P C 0.122 177.424 177.300 0.002 0.000 1.193 226 P CA 0.136 63.237 63.100 0.002 0.000 0.770 226 P CB 0.650 32.351 31.700 0.001 0.000 0.836 227 A N 3.085 125.907 122.820 0.002 0.000 2.024 227 A HA -0.194 4.126 4.320 0.000 0.000 0.220 227 A C 1.289 178.875 177.584 0.002 0.000 1.164 227 A CA 2.004 54.042 52.037 0.002 0.000 0.643 227 A CB -1.059 17.942 19.000 0.002 0.000 0.806 227 A HN 0.633 nan 8.150 nan 0.000 0.451 228 D N -0.611 119.790 120.400 0.002 0.000 2.342 228 D HA 0.422 5.062 4.640 0.000 0.000 0.221 228 D C 0.419 176.720 176.300 0.002 0.000 1.101 228 D CA 0.352 54.353 54.000 0.002 0.000 0.837 228 D CB -0.517 40.284 40.800 0.002 0.000 0.938 228 D HN 0.339 nan 8.370 nan 0.000 0.508 229 A N 0.459 123.281 122.820 0.002 0.000 2.388 229 A HA 0.613 4.933 4.320 0.000 0.000 0.257 229 A C 0.653 178.239 177.584 0.004 0.000 1.095 229 A CA -0.253 51.785 52.037 0.003 0.000 0.791 229 A CB 0.371 19.373 19.000 0.003 0.000 1.029 229 A HN 0.374 nan 8.150 nan 0.000 0.489 230 A N 3.699 126.521 122.820 0.004 0.000 2.511 230 A HA 0.504 4.824 4.320 0.000 0.000 0.242 230 A C -2.054 175.533 177.584 0.005 0.000 1.069 230 A CA -0.918 51.122 52.037 0.005 0.000 0.763 230 A CB -0.830 18.172 19.000 0.005 0.000 1.001 230 A HN 0.669 nan 8.150 nan 0.000 0.498 231 P HA 0.102 nan 4.420 nan 0.000 0.263 231 P C -0.572 176.733 177.300 0.008 0.000 1.168 231 P CA 0.206 63.310 63.100 0.008 0.000 0.759 231 P CB 0.282 31.987 31.700 0.009 0.000 0.782 232 V N 3.292 123.211 119.914 0.008 0.000 2.481 232 V HA 0.445 4.565 4.120 0.000 0.000 0.286 232 V C 0.621 176.720 176.094 0.008 0.000 1.042 232 V CA -0.152 62.153 62.300 0.008 0.000 0.928 232 V CB 1.396 33.224 31.823 0.008 0.000 0.986 232 V HN 0.714 nan 8.190 nan 0.000 0.462 233 T N 1.677 116.235 114.554 0.007 0.000 2.824 233 T HA 0.862 5.212 4.350 0.000 0.000 0.282 233 T C -0.612 174.087 174.700 -0.001 0.000 0.993 233 T CA -0.501 61.601 62.100 0.004 0.000 0.967 233 T CB 1.786 70.659 68.868 0.008 0.000 0.960 233 T HN 1.152 nan 8.240 nan 0.000 0.441 234 A N 3.926 126.742 122.820 -0.008 0.000 2.427 234 A HA 0.670 4.990 4.320 0.000 0.000 0.298 234 A C -0.565 177.001 177.584 -0.030 0.000 1.036 234 A CA -0.930 51.105 52.037 -0.003 0.000 0.701 234 A CB 1.197 20.212 19.000 0.024 0.000 1.250 234 A HN 0.960 nan 8.150 nan 0.000 0.412 235 L N 3.431 124.628 121.223 -0.043 0.000 2.361 235 L HA 0.385 4.725 4.340 0.000 0.000 0.278 235 L C 0.115 176.971 176.870 -0.022 0.000 1.113 235 L CA -0.248 54.544 54.840 -0.080 0.000 0.849 235 L CB 0.290 42.292 42.059 -0.094 0.000 1.155 235 L HN 0.617 nan 8.230 nan 0.000 0.452 236 R N 1.421 121.895 120.500 -0.043 0.000 2.740 236 R HA 0.417 4.757 4.340 0.000 0.000 0.282 236 R C -0.118 176.150 176.300 -0.054 0.000 0.969 236 R CA -0.694 55.375 56.100 -0.053 0.000 0.918 236 R CB 1.999 32.266 30.300 -0.056 0.000 1.175 236 R HN 0.655 nan 8.270 nan 0.000 0.464 237 T N -1.728 112.778 114.554 -0.080 0.000 2.813 237 T HA 0.404 4.754 4.350 0.000 0.000 0.297 237 T C 0.692 175.387 174.700 -0.007 0.000 1.036 237 T CA -0.607 61.470 62.100 -0.038 0.000 1.044 237 T CB 0.817 69.650 68.868 -0.059 0.000 0.993 237 T HN 0.382 nan 8.240 nan 0.000 0.535 238 V N -1.228 118.715 119.914 0.048 0.000 2.960 238 V HA 0.636 4.756 4.120 0.000 0.000 0.315 238 V C -0.543 175.618 176.094 0.111 0.000 1.087 238 V CA -1.291 61.068 62.300 0.100 0.000 0.982 238 V CB 1.668 33.621 31.823 0.217 0.000 1.039 238 V HN 0.955 nan 8.190 nan 0.000 0.437 239 D N 2.223 122.688 120.400 0.109 0.000 2.390 239 D HA 0.248 4.888 4.640 0.000 0.000 0.249 239 D C 0.011 176.432 176.300 0.202 0.000 1.144 239 D CA 0.919 54.986 54.000 0.112 0.000 0.880 239 D CB 0.290 41.121 40.800 0.053 0.000 1.182 239 D HN 0.816 nan 8.370 nan 0.000 0.451 240 E N 2.390 122.685 120.200 0.157 0.000 2.442 240 E HA -0.140 4.210 4.350 0.000 0.000 0.177 240 E C -1.883 174.789 176.600 0.119 0.000 1.505 240 E CA 0.037 56.529 56.400 0.154 0.000 0.662 240 E CB -0.970 28.843 29.700 0.189 0.000 1.117 240 E HN 0.501 nan 8.360 nan 0.000 0.375 241 P HA -0.270 nan 4.420 nan 0.000 0.218 241 P C 1.421 178.709 177.300 -0.019 0.000 1.154 241 P CA 2.509 65.629 63.100 0.034 0.000 0.872 241 P CB 0.114 31.851 31.700 0.061 0.000 0.790 242 A N -0.362 122.462 122.820 0.006 0.000 1.933 242 A HA -0.108 4.212 4.320 0.000 0.000 0.218 242 A C 2.339 179.904 177.584 -0.031 0.000 1.175 242 A CA 2.128 54.160 52.037 -0.009 0.000 0.628 242 A CB -1.526 17.485 19.000 0.019 0.000 0.814 242 A HN 0.219 nan 8.150 nan 0.000 0.444 243 A N -0.596 122.211 122.820 -0.021 0.000 1.930 243 A HA 0.010 4.330 4.320 0.000 0.000 0.217 243 A C 2.104 179.454 177.584 -0.391 0.000 1.175 243 A CA 1.647 53.662 52.037 -0.038 0.000 0.627 243 A CB -0.552 18.561 19.000 0.187 0.000 0.815 243 A HN 0.653 nan 8.150 nan 0.000 0.443 244 L N -0.093 120.712 121.223 -0.696 0.000 2.017 244 L HA -0.054 4.286 4.340 0.000 0.000 0.208 244 L C 2.657 179.368 176.870 -0.265 0.000 1.073 244 L CA 2.212 56.564 54.840 -0.814 0.000 0.745 244 L CB -0.886 40.839 42.059 -0.556 0.000 0.894 244 L HN 0.334 nan 8.230 nan 0.000 0.432 245 A N -0.503 122.234 122.820 -0.137 0.000 1.940 245 A HA -0.130 4.190 4.320 0.000 0.000 0.219 245 A C 2.335 179.927 177.584 0.013 0.000 1.176 245 A CA 1.691 53.703 52.037 -0.041 0.000 0.631 245 A CB -1.603 17.372 19.000 -0.042 0.000 0.814 245 A HN 0.555 nan 8.150 nan 0.000 0.446 246 G N -1.359 107.441 108.800 -0.001 0.000 2.402 246 G HA2 -0.256 3.704 3.960 0.000 0.000 0.216 246 G HA3 -0.256 3.704 3.960 0.000 0.000 0.216 246 G C 1.467 176.429 174.900 0.102 0.000 1.162 246 G CA 1.412 46.554 45.100 0.070 0.000 0.777 246 G HN 0.789 nan 8.290 nan 0.000 0.539 247 H N 0.549 119.591 119.070 -0.047 0.000 2.299 247 H HA 0.102 4.658 4.556 0.000 0.000 0.302 247 H C 2.483 177.813 175.328 0.003 0.000 1.078 247 H CA 1.373 57.410 56.048 -0.018 0.000 1.323 247 H CB -0.343 29.393 29.762 -0.043 0.000 1.381 247 H HN 0.230 nan 8.280 nan 0.000 0.498 248 L N -0.804 120.409 121.223 -0.017 0.000 2.187 248 L HA -0.160 4.180 4.340 0.000 0.000 0.213 248 L C 2.099 178.969 176.870 0.000 0.000 1.100 248 L CA 1.107 55.925 54.840 -0.037 0.000 0.765 248 L CB -0.438 41.653 42.059 0.054 0.000 0.904 248 L HN 0.308 nan 8.230 nan 0.000 0.437 249 F N 0.704 120.598 119.950 -0.093 0.000 2.234 249 F HA -0.127 4.400 4.527 0.000 0.000 0.296 249 F C 2.576 178.324 175.800 -0.087 0.000 1.089 249 F CA 1.308 59.265 58.000 -0.073 0.000 1.343 249 F CB -0.152 38.819 39.000 -0.047 0.000 1.040 249 F HN 0.083 nan 8.300 nan 0.000 0.498 250 E N 0.558 120.660 120.200 -0.163 0.000 2.077 250 E HA -0.259 4.091 4.350 0.000 0.000 0.193 250 E C 1.901 178.336 176.600 -0.276 0.000 0.989 250 E CA 1.744 58.000 56.400 -0.240 0.000 0.800 250 E CB -0.310 29.307 29.700 -0.139 0.000 0.746 250 E HN 0.592 nan 8.360 nan 0.000 0.452 251 E N 0.092 120.124 120.200 -0.280 0.000 2.085 251 E HA -0.181 4.169 4.350 0.000 0.000 0.194 251 E C 2.026 178.504 176.600 -0.203 0.000 0.994 251 E CA 1.116 57.372 56.400 -0.240 0.000 0.801 251 E CB -0.132 29.415 29.700 -0.254 0.000 0.743 251 E HN 0.388 nan 8.360 nan 0.000 0.453 252 A N 0.806 123.488 122.820 -0.229 0.000 1.930 252 A HA -0.117 4.203 4.320 0.000 0.000 0.217 252 A C 2.137 179.545 177.584 -0.293 0.000 1.175 252 A CA 0.832 52.739 52.037 -0.216 0.000 0.627 252 A CB -0.466 18.440 19.000 -0.156 0.000 0.815 252 A HN 0.126 nan 8.150 nan 0.000 0.443 253 L N -1.002 119.946 121.223 -0.459 0.000 2.046 253 L HA -0.184 4.156 4.340 0.000 0.000 0.208 253 L C 2.633 179.370 176.870 -0.222 0.000 1.077 253 L CA 1.749 56.352 54.840 -0.394 0.000 0.747 253 L CB -0.410 41.361 42.059 -0.481 0.000 0.896 253 L HN 0.432 nan 8.230 nan 0.000 0.432 254 E N -0.039 120.044 120.200 -0.195 0.000 2.110 254 E HA -0.166 4.184 4.350 0.000 0.000 0.193 254 E C 2.214 178.752 176.600 -0.104 0.000 0.988 254 E CA 1.299 57.621 56.400 -0.130 0.000 0.804 254 E CB 0.038 29.668 29.700 -0.117 0.000 0.745 254 E HN 0.213 nan 8.360 nan 0.000 0.458 255 S N 0.313 115.947 115.700 -0.111 0.000 2.423 255 S HA -0.027 4.443 4.470 0.000 0.000 0.231 255 S C 1.074 175.630 174.600 -0.073 0.000 1.014 255 S CA 0.767 58.918 58.200 -0.082 0.000 0.965 255 S CB -0.163 62.991 63.200 -0.077 0.000 0.785 255 S HN 0.330 nan 8.310 nan 0.000 0.495 256 N N 0.386 119.031 118.700 -0.091 0.000 2.251 256 N HA 0.172 4.912 4.740 0.000 0.000 0.217 256 N C 0.917 176.389 175.510 -0.063 0.000 1.124 256 N CA 0.561 53.568 53.050 -0.072 0.000 0.843 256 N CB 0.902 39.343 38.487 -0.076 0.000 1.024 256 N HN 0.458 nan 8.380 nan 0.000 0.501 257 G N 0.493 109.254 108.800 -0.065 0.000 2.143 257 G HA2 -0.257 3.703 3.960 0.000 0.000 0.248 257 G HA3 -0.257 3.703 3.960 0.000 0.000 0.248 257 G C -0.059 174.808 174.900 -0.055 0.000 0.991 257 G CA 0.010 45.078 45.100 -0.052 0.000 0.689 257 G HN 0.189 nan 8.290 nan 0.000 0.522 258 V N 1.945 121.814 119.914 -0.076 0.000 2.333 258 V HA 0.487 4.607 4.120 0.000 0.000 0.274 258 V C 0.793 176.836 176.094 -0.085 0.000 1.028 258 V CA -0.047 62.207 62.300 -0.077 0.000 0.851 258 V CB 1.232 32.997 31.823 -0.096 0.000 1.000 258 V HN 0.328 nan 8.190 nan 0.000 0.456 259 T N 4.583 119.101 114.554 -0.061 0.000 2.897 259 T HA 0.417 4.767 4.350 0.000 0.000 0.294 259 T C 0.018 174.683 174.700 -0.058 0.000 1.004 259 T CA -0.297 61.768 62.100 -0.059 0.000 1.106 259 T CB 1.483 70.327 68.868 -0.041 0.000 0.949 259 T HN 0.350 nan 8.240 nan 0.000 0.520 260 V N 4.811 124.686 119.914 -0.066 0.000 2.347 260 V HA 0.238 4.358 4.120 0.000 0.000 0.280 260 V C 1.196 177.263 176.094 -0.047 0.000 1.021 260 V CA -0.649 61.615 62.300 -0.060 0.000 0.847 260 V CB 1.274 33.050 31.823 -0.077 0.000 0.990 260 V HN 0.797 nan 8.190 nan 0.000 0.444 261 K N 3.001 123.380 120.400 -0.035 0.000 2.228 261 K HA 0.116 4.436 4.320 0.000 0.000 0.202 261 K C 1.203 177.785 176.600 -0.030 0.000 1.051 261 K CA 0.858 57.129 56.287 -0.027 0.000 0.960 261 K CB 0.359 32.850 32.500 -0.015 0.000 0.743 261 K HN 0.778 nan 8.250 nan 0.000 0.458 262 G N 0.954 109.728 108.800 -0.044 0.000 2.695 262 G HA2 0.139 4.099 3.960 0.000 0.000 0.213 262 G HA3 0.139 4.099 3.960 0.000 0.000 0.213 262 G C -0.432 174.425 174.900 -0.072 0.000 1.406 262 G CA -0.415 44.651 45.100 -0.056 0.000 1.049 262 G HN -0.016 nan 8.290 nan 0.000 0.573 263 D N -0.944 119.394 120.400 -0.104 0.000 2.388 263 D HA 0.486 5.126 4.640 0.000 0.000 0.254 263 D C -0.373 175.830 176.300 -0.162 0.000 1.111 263 D CA -0.122 53.816 54.000 -0.103 0.000 0.993 263 D CB 2.010 42.757 40.800 -0.088 0.000 1.118 263 D HN 0.038 nan 8.370 nan 0.000 0.502 264 V N -0.011 119.843 119.914 -0.099 0.000 2.495 264 V HA 0.808 4.928 4.120 0.000 0.000 0.298 264 V C 0.683 176.744 176.094 -0.055 0.000 1.031 264 V CA -0.304 61.937 62.300 -0.097 0.000 0.871 264 V CB 1.337 33.159 31.823 -0.003 0.000 0.988 264 V HN 0.804 nan 8.190 nan 0.000 0.432 265 G N 3.286 112.035 108.800 -0.085 0.000 2.490 265 G HA2 0.536 4.496 3.960 0.000 0.000 0.308 265 G HA3 0.536 4.496 3.960 0.000 0.000 0.308 265 G C -1.751 173.221 174.900 0.120 0.000 1.286 265 G CA -0.917 44.203 45.100 0.033 0.000 0.825 265 G HN 0.557 nan 8.290 nan 0.000 0.479 266 L N 0.370 121.698 121.223 0.175 0.000 2.375 266 L HA 0.740 5.080 4.340 0.000 0.000 0.271 266 L C 0.745 177.782 176.870 0.278 0.000 1.107 266 L CA 0.005 54.961 54.840 0.193 0.000 0.806 266 L CB 1.501 43.636 42.059 0.126 0.000 1.146 266 L HN 1.040 nan 8.230 nan 0.000 0.447 267 G N 0.779 109.701 108.800 0.205 0.000 2.473 267 G HA2 0.475 4.435 3.960 0.000 0.000 0.298 267 G HA3 0.475 4.435 3.960 0.000 0.000 0.298 267 G C -1.221 173.733 174.900 0.091 0.000 1.575 267 G CA -0.355 44.763 45.100 0.030 0.000 0.846 267 G HN 0.786 nan 8.290 nan 0.000 0.585 268 G N -0.578 108.202 108.800 -0.034 0.000 2.412 268 G HA2 0.611 4.571 3.960 0.000 0.000 0.318 268 G HA3 0.611 4.571 3.960 0.000 0.000 0.318 268 G C 0.211 174.847 174.900 -0.439 0.000 1.146 268 G CA -0.525 44.503 45.100 -0.120 0.000 0.882 268 G HN 1.214 nan 8.290 nan 0.000 0.501 269 V N 3.125 122.597 119.914 -0.736 0.000 2.539 269 V HA -0.019 4.101 4.120 0.000 0.000 0.300 269 V C -0.842 174.726 176.094 -0.877 0.000 1.019 269 V CA -0.404 61.140 62.300 -1.261 0.000 1.160 269 V CB 0.941 32.282 31.823 -0.803 0.000 0.901 269 V HN 0.653 nan 8.190 nan 0.000 0.481 270 P HA -0.176 nan 4.420 nan 0.000 0.218 270 P C 1.154 178.211 177.300 -0.404 0.000 1.146 270 P CA 1.779 64.477 63.100 -0.670 0.000 0.813 270 P CB 0.083 31.308 31.700 -0.791 0.000 0.778 271 A N -1.215 121.379 122.820 -0.377 0.000 3.797 271 A HA -0.206 4.114 4.320 0.000 0.000 0.251 271 A C 1.120 178.692 177.584 -0.019 0.000 0.963 271 A CA 1.412 53.364 52.037 -0.141 0.000 1.494 271 A CB -2.619 16.308 19.000 -0.122 0.000 0.978 271 A HN 0.455 nan 8.150 nan 0.000 0.821 272 D N -1.663 118.740 120.400 0.005 0.000 2.400 272 D HA 0.177 4.817 4.640 0.000 0.000 0.243 272 D C -0.418 176.096 176.300 0.357 0.000 1.184 272 D CA 0.133 54.215 54.000 0.136 0.000 0.853 272 D CB -0.365 40.507 40.800 0.120 0.000 0.944 272 D HN 0.591 nan 8.370 nan 0.000 0.501 273 W N 1.987 123.258 121.300 -0.049 0.000 2.363 273 W HA 0.330 4.990 4.660 0.000 0.000 0.314 273 W C 1.244 177.741 176.519 -0.038 0.000 0.994 273 W CA -1.191 56.126 57.345 -0.046 0.000 1.449 273 W CB 0.745 30.160 29.460 -0.076 0.000 1.248 273 W HN -0.069 nan 8.180 nan 0.000 0.409 274 Q N 0.929 120.800 119.800 0.120 0.000 1.922 274 Q HA -0.094 4.246 4.340 0.000 0.000 0.201 274 Q C -0.131 175.892 176.000 0.037 0.000 0.979 274 Q CA 1.165 57.004 55.803 0.059 0.000 0.841 274 Q CB 0.181 28.935 28.738 0.026 0.000 0.903 274 Q HN 0.199 nan 8.270 nan 0.000 0.431 275 D N 0.675 121.074 120.400 -0.003 0.000 2.518 275 D HA 0.327 4.967 4.640 0.000 0.000 0.230 275 D C -0.936 175.341 176.300 -0.038 0.000 1.138 275 D CA -0.033 53.958 54.000 -0.016 0.000 0.964 275 D CB 0.494 41.275 40.800 -0.031 0.000 1.011 275 D HN 0.179 nan 8.370 nan 0.000 0.517 276 A N 1.513 124.343 122.820 0.017 0.000 2.462 276 A HA 0.225 4.545 4.320 0.000 0.000 0.243 276 A C 0.416 178.005 177.584 0.008 0.000 1.076 276 A CA -0.201 51.856 52.037 0.033 0.000 0.773 276 A CB 0.492 19.602 19.000 0.185 0.000 1.010 276 A HN 0.266 nan 8.150 nan 0.000 0.493 277 E N 1.632 121.825 120.200 -0.011 0.000 2.081 277 E HA 0.446 4.796 4.350 0.000 0.000 0.276 277 E C -1.081 175.545 176.600 0.044 0.000 0.950 277 E CA -0.269 56.131 56.400 -0.000 0.000 0.776 277 E CB 1.033 30.715 29.700 -0.030 0.000 1.094 277 E HN 0.328 nan 8.360 nan 0.000 0.402 278 V N 7.321 127.258 119.914 0.037 0.000 2.405 278 V HA 0.082 4.202 4.120 0.000 0.000 0.264 278 V C 1.031 177.148 176.094 0.040 0.000 1.048 278 V CA 0.081 62.407 62.300 0.043 0.000 0.966 278 V CB 0.647 32.481 31.823 0.019 0.000 1.015 278 V HN 0.793 nan 8.190 nan 0.000 0.477 279 L N 4.011 125.270 121.223 0.060 0.000 2.513 279 L HA 0.561 4.901 4.340 0.000 0.000 0.222 279 L C 0.873 177.780 176.870 0.062 0.000 1.096 279 L CA 0.639 55.515 54.840 0.060 0.000 0.857 279 L CB 0.107 42.215 42.059 0.082 0.000 1.026 279 L HN 0.736 nan 8.230 nan 0.000 0.469 280 A N 0.098 122.953 122.820 0.060 0.000 2.605 280 A HA 0.611 4.931 4.320 0.000 0.000 0.294 280 A C -1.942 175.660 177.584 0.030 0.000 1.062 280 A CA -0.549 51.523 52.037 0.058 0.000 0.682 280 A CB 1.504 20.564 19.000 0.100 0.000 1.278 280 A HN 0.075 nan 8.150 nan 0.000 0.410 281 D N -0.129 120.290 120.400 0.032 0.000 2.599 281 D HA 0.620 5.260 4.640 0.000 0.000 0.252 281 D C -1.122 175.226 176.300 0.080 0.000 1.232 281 D CA -0.243 53.768 54.000 0.018 0.000 0.819 281 D CB 1.190 41.977 40.800 -0.022 0.000 1.401 281 D HN 0.674 nan 8.370 nan 0.000 0.429 282 H N -1.210 117.822 119.070 -0.063 0.000 2.851 282 H HA 0.707 5.263 4.556 0.000 0.000 0.372 282 H C -1.375 173.911 175.328 -0.069 0.000 1.158 282 H CA -0.219 55.797 56.048 -0.054 0.000 1.159 282 H CB 2.261 31.995 29.762 -0.046 0.000 1.757 282 H HN 0.325 nan 8.280 nan 0.000 0.546 283 T N 3.168 117.261 114.554 -0.768 0.000 2.841 283 T HA 0.359 4.709 4.350 0.000 0.000 0.285 283 T C -0.173 174.108 174.700 -0.698 0.000 0.991 283 T CA -0.597 61.173 62.100 -0.550 0.000 0.966 283 T CB 0.883 69.559 68.868 -0.319 0.000 0.962 283 T HN 0.749 nan 8.240 nan 0.000 0.438 284 S N 2.739 118.216 115.700 -0.372 0.000 2.633 284 S HA 0.701 5.171 4.470 0.000 0.000 0.257 284 S C 0.813 175.339 174.600 -0.124 0.000 1.265 284 S CA -0.674 57.422 58.200 -0.174 0.000 0.980 284 S CB 0.266 63.474 63.200 0.014 0.000 1.017 284 S HN 0.935 nan 8.310 nan 0.000 0.577 285 A N 0.077 122.870 122.820 -0.044 0.000 2.327 285 A HA 0.374 4.694 4.320 0.000 0.000 0.255 285 A C 0.432 178.002 177.584 -0.024 0.000 1.099 285 A CA -0.515 51.510 52.037 -0.020 0.000 0.801 285 A CB -0.430 18.586 19.000 0.027 0.000 1.062 285 A HN 0.877 nan 8.150 nan 0.000 0.496 286 E N -0.803 119.384 120.200 -0.022 0.000 2.392 286 E HA 0.128 4.478 4.350 0.000 0.000 0.259 286 E C 0.759 177.384 176.600 0.043 0.000 1.108 286 E CA -0.478 55.901 56.400 -0.035 0.000 0.916 286 E CB 0.512 30.197 29.700 -0.024 0.000 0.989 286 E HN 0.556 nan 8.360 nan 0.000 0.432 287 L N 2.497 123.753 121.223 0.054 0.000 2.191 287 L HA -0.206 4.134 4.340 0.000 0.000 0.212 287 L C 2.154 179.108 176.870 0.139 0.000 1.103 287 L CA 2.064 56.991 54.840 0.145 0.000 0.769 287 L CB -0.622 41.524 42.059 0.145 0.000 0.908 287 L HN 0.642 nan 8.230 nan 0.000 0.438 288 S N -1.428 114.339 115.700 0.111 0.000 2.383 288 S HA -0.209 4.261 4.470 0.000 0.000 0.229 288 S C 1.832 176.517 174.600 0.141 0.000 1.030 288 S CA 1.349 59.625 58.200 0.127 0.000 1.002 288 S CB -0.468 62.801 63.200 0.116 0.000 0.829 288 S HN 0.539 nan 8.310 nan 0.000 0.467 289 E N 1.213 121.492 120.200 0.132 0.000 2.122 289 E HA 0.265 4.615 4.350 0.000 0.000 0.190 289 E C 1.926 178.647 176.600 0.201 0.000 0.977 289 E CA 0.723 57.215 56.400 0.154 0.000 0.820 289 E CB -0.371 29.404 29.700 0.126 0.000 0.770 289 E HN 0.618 nan 8.360 nan 0.000 0.462 290 I N 0.553 121.230 120.570 0.179 0.000 2.394 290 I HA -0.208 3.962 4.170 0.000 0.000 0.251 290 I C 2.070 178.370 176.117 0.306 0.000 1.136 290 I CA 0.489 61.903 61.300 0.191 0.000 1.425 290 I CB -0.119 37.937 38.000 0.093 0.000 1.079 290 I HN 0.176 nan 8.210 nan 0.000 0.425 291 L N 0.569 121.968 121.223 0.293 0.000 2.081 291 L HA -0.220 4.120 4.340 0.000 0.000 0.212 291 L C 2.597 179.639 176.870 0.286 0.000 1.080 291 L CA 1.762 56.816 54.840 0.356 0.000 0.754 291 L CB -0.473 41.732 42.059 0.244 0.000 0.893 291 L HN 0.137 nan 8.230 nan 0.000 0.433 292 V N 1.205 121.267 119.914 0.247 0.000 2.214 292 V HA -0.206 3.914 4.120 0.000 0.000 0.245 292 V C -0.148 176.075 176.094 0.214 0.000 1.047 292 V CA 2.303 64.722 62.300 0.198 0.000 0.998 292 V CB -2.247 29.722 31.823 0.244 0.000 0.633 292 V HN 0.354 nan 8.190 nan 0.000 0.446 293 P HA -0.189 nan 4.420 nan 0.000 0.223 293 P C 1.763 179.347 177.300 0.473 0.000 1.151 293 P CA 1.558 64.954 63.100 0.493 0.000 0.787 293 P CB -0.159 31.979 31.700 0.730 0.000 0.788 294 F N 0.611 120.772 119.950 0.351 0.000 2.031 294 F HA -0.200 4.327 4.527 0.000 0.000 0.295 294 F C 2.129 177.991 175.800 0.103 0.000 1.133 294 F CA 1.455 59.636 58.000 0.302 0.000 1.188 294 F CB -0.300 38.921 39.000 0.368 0.000 0.974 294 F HN -0.270 nan 8.300 nan 0.000 0.473 295 M N 0.441 119.844 119.600 -0.328 0.000 2.287 295 M HA -0.078 4.402 4.480 0.000 0.000 0.266 295 M C 1.930 177.996 176.300 -0.389 0.000 1.079 295 M CA 1.166 56.134 55.300 -0.553 0.000 1.146 295 M CB -1.037 31.271 32.600 -0.488 0.000 1.374 295 M HN 0.080 nan 8.290 nan 0.000 0.435 296 K N 0.126 120.300 120.400 -0.377 0.000 2.032 296 K HA -0.095 4.226 4.320 0.000 0.000 0.209 296 K C 1.641 177.807 176.600 -0.725 0.000 1.048 296 K CA 1.522 57.427 56.287 -0.635 0.000 0.927 296 K CB -0.441 31.491 32.500 -0.946 0.000 0.712 296 K HN 0.323 nan 8.250 nan 0.000 0.441 297 F N 0.260 120.111 119.950 -0.165 0.000 2.695 297 F HA 0.219 4.746 4.527 0.000 0.000 0.303 297 F C 0.683 176.417 175.800 -0.110 0.000 1.091 297 F CA -0.341 57.572 58.000 -0.145 0.000 1.300 297 F CB 0.122 39.027 39.000 -0.160 0.000 1.071 297 F HN -0.191 nan 8.300 nan 0.000 0.578 298 S N 1.359 117.040 115.700 -0.031 0.000 3.697 298 S HA -0.304 4.166 4.470 0.000 0.000 0.388 298 S C 0.074 174.724 174.600 0.083 0.000 0.941 298 S CA 0.092 58.263 58.200 -0.049 0.000 1.247 298 S CB -1.908 61.254 63.200 -0.065 0.000 0.904 298 S HN 0.628 nan 8.310 nan 0.000 0.518 299 N N 1.432 120.240 118.700 0.180 0.000 2.399 299 N HA 0.279 5.019 4.740 0.000 0.000 0.259 299 N C 1.186 176.865 175.510 0.283 0.000 1.160 299 N CA -0.486 52.648 53.050 0.139 0.000 0.946 299 N CB 0.360 38.729 38.487 -0.196 0.000 1.156 299 N HN 0.351 nan 8.380 nan 0.000 0.489 300 N N 2.626 121.460 118.700 0.223 0.000 2.149 300 N HA -0.122 4.618 4.740 0.000 0.000 0.188 300 N C 1.712 177.411 175.510 0.316 0.000 1.019 300 N CA 1.219 54.430 53.050 0.268 0.000 0.857 300 N CB -0.341 38.254 38.487 0.180 0.000 0.997 300 N HN 0.700 nan 8.380 nan 0.000 0.426 301 G N 0.152 109.115 108.800 0.272 0.000 2.402 301 G HA2 -0.225 3.735 3.960 0.000 0.000 0.216 301 G HA3 -0.225 3.735 3.960 0.000 0.000 0.216 301 G C 1.193 176.264 174.900 0.284 0.000 1.162 301 G CA 0.659 45.939 45.100 0.299 0.000 0.777 301 G HN 0.326 nan 8.290 nan 0.000 0.539 302 H N 1.238 120.336 119.070 0.048 0.000 2.321 302 H HA -0.060 4.496 4.556 0.000 0.000 0.295 302 H C 2.862 177.940 175.328 -0.417 0.000 1.102 302 H CA 1.322 57.231 56.048 -0.232 0.000 1.266 302 H CB -0.710 28.874 29.762 -0.297 0.000 1.363 302 H HN 0.374 nan 8.280 nan 0.000 0.492 303 A N 1.133 123.928 122.820 -0.040 0.000 1.858 303 A HA -0.168 4.152 4.320 0.000 0.000 0.216 303 A C 2.265 179.930 177.584 0.135 0.000 1.190 303 A CA 1.808 53.898 52.037 0.088 0.000 0.617 303 A CB -0.160 19.114 19.000 0.458 0.000 0.827 303 A HN 0.335 nan 8.150 nan 0.000 0.443 304 E N -0.128 120.223 120.200 0.251 0.000 2.106 304 E HA -0.134 4.216 4.350 0.000 0.000 0.192 304 E C 2.074 178.643 176.600 -0.050 0.000 0.984 304 E CA 1.193 57.753 56.400 0.267 0.000 0.806 304 E CB -0.581 29.440 29.700 0.536 0.000 0.750 304 E HN 0.727 nan 8.360 nan 0.000 0.458 305 M N 0.306 119.900 119.600 -0.009 0.000 2.149 305 M HA -0.139 4.341 4.480 0.000 0.000 0.261 305 M C 2.389 178.624 176.300 -0.107 0.000 1.064 305 M CA 1.265 56.553 55.300 -0.019 0.000 1.102 305 M CB -0.344 32.292 32.600 0.060 0.000 1.369 305 M HN 0.053 nan 8.290 nan 0.000 0.408 306 L N -0.715 120.429 121.223 -0.132 0.000 2.056 306 L HA -0.169 4.172 4.340 0.000 0.000 0.207 306 L C 2.466 179.290 176.870 -0.077 0.000 1.078 306 L CA 0.776 55.557 54.840 -0.099 0.000 0.749 306 L CB -0.603 41.378 42.059 -0.131 0.000 0.901 306 L HN 0.117 nan 8.230 nan 0.000 0.433 307 V N 0.233 120.103 119.914 -0.073 0.000 2.282 307 V HA -0.347 3.773 4.120 0.000 0.000 0.249 307 V C 2.456 178.386 176.094 -0.272 0.000 1.057 307 V CA 1.954 64.204 62.300 -0.082 0.000 1.032 307 V CB -0.557 31.299 31.823 0.056 0.000 0.645 307 V HN 0.455 nan 8.190 nan 0.000 0.447 308 K N -0.278 119.783 120.400 -0.565 0.000 2.155 308 K HA -0.081 4.239 4.320 0.000 0.000 0.203 308 K C 2.400 178.662 176.600 -0.564 0.000 1.052 308 K CA 1.410 57.153 56.287 -0.907 0.000 0.948 308 K CB -0.265 31.113 32.500 -1.870 0.000 0.728 308 K HN 0.381 nan 8.250 nan 0.000 0.448 309 S N 1.633 117.224 115.700 -0.182 0.000 2.368 309 S HA -0.117 4.353 4.470 0.000 0.000 0.225 309 S C 1.990 176.617 174.600 0.045 0.000 1.030 309 S CA 1.096 59.413 58.200 0.196 0.000 0.999 309 S CB -0.238 63.167 63.200 0.342 0.000 0.844 309 S HN 0.189 nan 8.310 nan 0.000 0.459 310 I N 1.473 122.024 120.570 -0.031 0.000 2.151 310 I HA -0.213 3.957 4.170 0.000 0.000 0.243 310 I C 2.632 178.709 176.117 -0.066 0.000 1.080 310 I CA 1.368 62.644 61.300 -0.041 0.000 1.339 310 I CB -0.722 37.261 38.000 -0.029 0.000 1.039 310 I HN 0.383 nan 8.210 nan 0.000 0.409 311 G N -0.640 108.086 108.800 -0.125 0.000 2.408 311 G HA2 -0.214 3.746 3.960 0.000 0.000 0.217 311 G HA3 -0.214 3.746 3.960 0.000 0.000 0.217 311 G C 1.582 176.385 174.900 -0.162 0.000 1.150 311 G CA 0.200 45.213 45.100 -0.146 0.000 0.776 311 G HN 0.251 nan 8.290 nan 0.000 0.542 312 Q N 0.163 119.845 119.800 -0.196 0.000 2.061 312 Q HA -0.138 4.202 4.340 0.000 0.000 0.204 312 Q C 2.445 178.377 176.000 -0.114 0.000 0.984 312 Q CA 1.774 57.424 55.803 -0.255 0.000 0.846 312 Q CB -0.283 28.223 28.738 -0.387 0.000 0.902 312 Q HN 0.572 nan 8.270 nan 0.000 0.421 313 E N -0.318 119.869 120.200 -0.021 0.000 2.072 313 E HA -0.108 4.242 4.350 0.000 0.000 0.191 313 E C 1.805 178.404 176.600 -0.001 0.000 0.985 313 E CA 1.943 58.358 56.400 0.025 0.000 0.801 313 E CB -0.072 29.642 29.700 0.023 0.000 0.750 313 E HN 0.456 nan 8.360 nan 0.000 0.452 314 T N -3.261 111.278 114.554 -0.024 0.000 3.051 314 T HA 0.334 4.684 4.350 0.000 0.000 0.255 314 T C 1.235 175.917 174.700 -0.031 0.000 1.085 314 T CA 0.518 62.606 62.100 -0.019 0.000 1.109 314 T CB 0.500 69.358 68.868 -0.017 0.000 0.921 314 T HN 0.132 nan 8.240 nan 0.000 0.488 315 A N -0.062 122.725 122.820 -0.055 0.000 2.674 315 A HA 0.698 5.018 4.320 0.000 0.000 0.274 315 A C 1.502 179.033 177.584 -0.088 0.000 1.065 315 A CA 0.263 52.263 52.037 -0.063 0.000 0.978 315 A CB -0.367 18.595 19.000 -0.064 0.000 1.242 315 A HN 1.193 nan 8.150 nan 0.000 0.583 316 G N -0.540 108.195 108.800 -0.109 0.000 2.258 316 G HA2 0.161 4.121 3.960 0.000 0.000 0.274 316 G HA3 0.161 4.121 3.960 0.000 0.000 0.274 316 G C 0.313 175.086 174.900 -0.212 0.000 1.021 316 G CA 0.654 45.661 45.100 -0.155 0.000 0.798 316 G HN 2.037 nan 8.290 nan 0.000 0.507 317 A N -0.759 121.927 122.820 -0.224 0.000 2.429 317 A HA 0.779 5.099 4.320 0.000 0.000 0.289 317 A C 0.359 177.779 177.584 -0.274 0.000 1.043 317 A CA 0.411 52.308 52.037 -0.233 0.000 0.722 317 A CB 1.325 20.230 19.000 -0.159 0.000 1.243 317 A HN 1.698 nan 8.150 nan 0.000 0.415 318 G N 2.473 111.087 108.800 -0.310 0.000 2.985 318 G HA2 0.478 4.438 3.960 0.000 0.000 0.282 318 G HA3 0.478 4.438 3.960 0.000 0.000 0.282 318 G C 0.244 174.867 174.900 -0.462 0.000 0.791 318 G CA 0.627 45.495 45.100 -0.386 0.000 1.934 318 G HN 1.261 nan 8.290 nan 0.000 0.563 319 T N -2.658 111.641 114.554 -0.425 0.000 2.883 319 T HA 0.360 4.710 4.350 0.000 0.000 0.296 319 T C 0.586 175.078 174.700 -0.348 0.000 1.117 319 T CA -0.933 60.947 62.100 -0.367 0.000 1.006 319 T CB 1.605 70.365 68.868 -0.180 0.000 1.191 319 T HN 0.241 nan 8.240 nan 0.000 0.508 320 W N 0.732 121.916 121.300 -0.194 0.000 2.388 320 W HA -0.016 4.644 4.660 0.000 0.000 0.294 320 W C 1.425 177.866 176.519 -0.129 0.000 1.212 320 W CA 1.285 58.530 57.345 -0.167 0.000 1.271 320 W CB -0.675 28.681 29.460 -0.173 0.000 1.126 320 W HN 0.789 nan 8.180 nan 0.000 0.535 321 D N -0.066 120.387 120.400 0.089 0.000 2.104 321 D HA -0.146 4.494 4.640 0.000 0.000 0.194 321 D C 2.290 178.586 176.300 -0.007 0.000 0.994 321 D CA 2.219 56.236 54.000 0.028 0.000 0.830 321 D CB -0.742 40.059 40.800 0.002 0.000 0.959 321 D HN -0.007 nan 8.370 nan 0.000 0.452 322 A N 0.439 123.231 122.820 -0.047 0.000 1.872 322 A HA 0.053 4.373 4.320 0.000 0.000 0.214 322 A C 2.370 179.918 177.584 -0.060 0.000 1.187 322 A CA 1.988 53.986 52.037 -0.065 0.000 0.614 322 A CB -1.102 17.837 19.000 -0.103 0.000 0.826 322 A HN 0.295 nan 8.150 nan 0.000 0.442 323 G N -0.198 108.552 108.800 -0.084 0.000 2.446 323 G HA2 -0.156 3.804 3.960 0.000 0.000 0.217 323 G HA3 -0.156 3.804 3.960 0.000 0.000 0.217 323 G C 1.358 176.263 174.900 0.007 0.000 1.168 323 G CA 1.246 46.307 45.100 -0.065 0.000 0.771 323 G HN 0.332 nan 8.290 nan 0.000 0.551 324 L N 0.503 121.753 121.223 0.046 0.000 2.141 324 L HA 0.045 4.386 4.340 0.000 0.000 0.209 324 L C 3.097 179.984 176.870 0.028 0.000 1.094 324 L CA 0.674 55.549 54.840 0.058 0.000 0.763 324 L CB -0.768 41.332 42.059 0.069 0.000 0.908 324 L HN 0.108 nan 8.230 nan 0.000 0.437 325 V N -0.379 119.542 119.914 0.012 0.000 2.343 325 V HA -0.198 3.922 4.120 0.000 0.000 0.247 325 V C 2.537 178.636 176.094 0.009 0.000 1.051 325 V CA 1.752 64.054 62.300 0.004 0.000 1.036 325 V CB -1.216 30.604 31.823 -0.006 0.000 0.654 325 V HN 0.555 nan 8.190 nan 0.000 0.451 326 G N -0.309 108.494 108.800 0.005 0.000 2.418 326 G HA2 -0.193 3.767 3.960 0.000 0.000 0.217 326 G HA3 -0.193 3.767 3.960 0.000 0.000 0.217 326 G C 1.666 176.584 174.900 0.031 0.000 1.158 326 G CA 1.194 46.300 45.100 0.010 0.000 0.771 326 G HN 0.373 nan 8.290 nan 0.000 0.545 327 V N 0.801 120.741 119.914 0.043 0.000 2.233 327 V HA -0.197 3.923 4.120 0.000 0.000 0.247 327 V C 2.741 178.879 176.094 0.074 0.000 1.050 327 V CA 2.194 64.539 62.300 0.075 0.000 1.010 327 V CB -0.404 31.479 31.823 0.099 0.000 0.637 327 V HN 0.398 nan 8.190 nan 0.000 0.444 328 E N 0.481 120.710 120.200 0.047 0.000 2.049 328 E HA -0.278 4.072 4.350 0.000 0.000 0.198 328 E C 2.203 178.828 176.600 0.040 0.000 1.007 328 E CA 2.125 58.544 56.400 0.033 0.000 0.809 328 E CB -0.209 29.496 29.700 0.008 0.000 0.749 328 E HN 0.728 nan 8.360 nan 0.000 0.450 329 E N -0.065 120.155 120.200 0.033 0.000 2.077 329 E HA -0.165 4.185 4.350 0.000 0.000 0.193 329 E C 2.053 178.681 176.600 0.047 0.000 0.989 329 E CA 0.959 57.379 56.400 0.033 0.000 0.800 329 E CB -0.165 29.549 29.700 0.023 0.000 0.746 329 E HN 0.331 nan 8.360 nan 0.000 0.452 330 A N 1.233 124.088 122.820 0.058 0.000 1.933 330 A HA -0.145 4.175 4.320 0.000 0.000 0.218 330 A C 2.203 179.844 177.584 0.096 0.000 1.175 330 A CA 0.997 53.079 52.037 0.075 0.000 0.628 330 A CB -0.543 18.502 19.000 0.075 0.000 0.814 330 A HN 0.113 nan 8.150 nan 0.000 0.444 331 L N -0.852 120.434 121.223 0.106 0.000 2.056 331 L HA -0.135 4.205 4.340 0.000 0.000 0.207 331 L C 2.870 179.797 176.870 0.095 0.000 1.078 331 L CA 1.343 56.260 54.840 0.129 0.000 0.749 331 L CB -0.507 41.657 42.059 0.175 0.000 0.901 331 L HN 0.306 nan 8.230 nan 0.000 0.433 332 S N 0.121 115.863 115.700 0.070 0.000 2.374 332 S HA -0.184 4.287 4.470 0.000 0.000 0.227 332 S C 1.966 176.593 174.600 0.046 0.000 1.037 332 S CA 1.476 59.705 58.200 0.050 0.000 1.024 332 S CB -0.620 62.601 63.200 0.035 0.000 0.861 332 S HN 0.633 nan 8.310 nan 0.000 0.456 333 G N 0.536 109.368 108.800 0.052 0.000 2.443 333 G HA2 -0.097 3.863 3.960 0.000 0.000 0.219 333 G HA3 -0.097 3.863 3.960 0.000 0.000 0.219 333 G C 1.193 176.123 174.900 0.050 0.000 1.131 333 G CA 0.341 45.470 45.100 0.048 0.000 0.775 333 G HN 0.410 nan 8.290 nan 0.000 0.547 334 L N 0.293 121.556 121.223 0.065 0.000 2.492 334 L HA 0.342 4.682 4.340 0.000 0.000 0.223 334 L C 2.030 178.914 176.870 0.023 0.000 1.132 334 L CA 1.295 56.169 54.840 0.057 0.000 0.850 334 L CB -0.035 42.085 42.059 0.101 0.000 0.966 334 L HN 0.397 nan 8.230 nan 0.000 0.454 335 G N -1.832 106.986 108.800 0.030 0.000 2.253 335 G HA2 -0.204 3.756 3.960 0.000 0.000 0.209 335 G HA3 -0.204 3.756 3.960 0.000 0.000 0.209 335 G C 0.258 175.178 174.900 0.034 0.000 0.997 335 G CA 0.015 45.128 45.100 0.020 0.000 0.640 335 G HN 0.092 nan 8.290 nan 0.000 0.496 336 V N 2.367 122.314 119.914 0.055 0.000 2.585 336 V HA 0.385 4.505 4.120 0.000 0.000 0.296 336 V C 0.503 176.637 176.094 0.067 0.000 1.035 336 V CA 0.122 62.469 62.300 0.079 0.000 1.084 336 V CB 1.580 33.484 31.823 0.135 0.000 0.953 336 V HN 0.410 nan 8.190 nan 0.000 0.483 337 D N 3.731 124.166 120.400 0.059 0.000 2.317 337 D HA 0.102 4.742 4.640 0.000 0.000 0.252 337 D C 1.021 177.345 176.300 0.039 0.000 1.174 337 D CA -0.028 53.997 54.000 0.041 0.000 0.866 337 D CB 1.613 42.433 40.800 0.033 0.000 1.127 337 D HN 0.714 nan 8.370 nan 0.000 0.467 338 T N 0.943 115.509 114.554 0.020 0.000 3.145 338 T HA 0.336 4.686 4.350 0.000 0.000 0.255 338 T C 1.635 176.319 174.700 -0.027 0.000 1.039 338 T CA 0.209 62.303 62.100 -0.010 0.000 0.928 338 T CB 0.269 69.128 68.868 -0.015 0.000 1.029 338 T HN 0.286 nan 8.240 nan 0.000 0.554 339 A N 1.871 124.685 122.820 -0.011 0.000 1.917 339 A HA 0.159 4.479 4.320 0.000 0.000 0.219 339 A C 2.494 180.064 177.584 -0.023 0.000 1.182 339 A CA 1.605 53.634 52.037 -0.014 0.000 0.633 339 A CB -1.416 17.581 19.000 -0.004 0.000 0.819 339 A HN 0.632 nan 8.150 nan 0.000 0.448 340 G N -1.494 107.292 108.800 -0.025 0.000 2.744 340 G HA2 0.280 4.240 3.960 0.000 0.000 0.211 340 G HA3 0.280 4.240 3.960 0.000 0.000 0.211 340 G C 0.524 175.387 174.900 -0.062 0.000 1.143 340 G CA -0.122 44.960 45.100 -0.030 0.000 0.788 340 G HN 0.397 nan 8.290 nan 0.000 0.534 341 L N 1.465 122.630 121.223 -0.096 0.000 2.292 341 L HA 0.448 4.788 4.340 0.000 0.000 0.284 341 L C -0.746 176.053 176.870 -0.118 0.000 1.065 341 L CA -0.576 54.165 54.840 -0.164 0.000 0.806 341 L CB 2.058 43.967 42.059 -0.250 0.000 1.175 341 L HN -0.183 nan 8.230 nan 0.000 0.431 342 V N 5.583 125.430 119.914 -0.113 0.000 2.407 342 V HA 0.332 4.452 4.120 0.000 0.000 0.291 342 V C -0.109 175.938 176.094 -0.079 0.000 1.018 342 V CA -0.612 61.642 62.300 -0.077 0.000 0.842 342 V CB 1.750 33.543 31.823 -0.051 0.000 0.996 342 V HN 0.445 nan 8.190 nan 0.000 0.426 343 L N 4.301 125.484 121.223 -0.067 0.000 2.262 343 L HA 0.506 4.846 4.340 0.000 0.000 0.288 343 L C 0.525 177.373 176.870 -0.038 0.000 1.035 343 L CA 0.032 54.845 54.840 -0.045 0.000 0.820 343 L CB 0.841 42.883 42.059 -0.029 0.000 1.204 343 L HN 0.678 nan 8.230 nan 0.000 0.424 344 N N 1.465 120.141 118.700 -0.040 0.000 2.193 344 N HA 0.014 4.754 4.740 0.000 0.000 0.210 344 N C -0.485 174.922 175.510 -0.172 0.000 1.215 344 N CA 0.073 53.065 53.050 -0.096 0.000 0.901 344 N CB 0.983 39.416 38.487 -0.090 0.000 1.060 344 N HN 0.824 nan 8.380 nan 0.000 0.508 345 D N -3.302 117.064 120.400 -0.056 0.000 2.713 345 D HA 0.272 4.912 4.640 0.000 0.000 0.306 345 D C 0.545 176.946 176.300 0.170 0.000 1.299 345 D CA -0.496 53.483 54.000 -0.035 0.000 0.823 345 D CB 0.372 41.130 40.800 -0.070 0.000 1.353 345 D HN -0.105 nan 8.370 nan 0.000 0.447 346 G N -1.185 107.797 108.800 0.302 0.000 2.719 346 G HA2 0.062 4.022 3.960 0.000 0.000 0.211 346 G HA3 0.062 4.022 3.960 0.000 0.000 0.211 346 G C 1.048 176.152 174.900 0.339 0.000 1.140 346 G CA 0.745 46.033 45.100 0.314 0.000 0.790 346 G HN 0.609 nan 8.290 nan 0.000 0.529 347 S N -0.746 115.172 115.700 0.363 0.000 2.503 347 S HA 0.349 4.819 4.470 0.000 0.000 0.217 347 S C 1.903 176.640 174.600 0.229 0.000 0.999 347 S CA 1.113 59.511 58.200 0.329 0.000 0.914 347 S CB 0.049 63.454 63.200 0.341 0.000 0.782 347 S HN 1.402 nan 8.310 nan 0.000 0.520 348 G N 1.223 110.154 108.800 0.219 0.000 2.143 348 G HA2 -0.239 3.721 3.960 0.000 0.000 0.249 348 G HA3 -0.239 3.721 3.960 0.000 0.000 0.249 348 G C 0.454 175.421 174.900 0.112 0.000 0.981 348 G CA 0.422 45.614 45.100 0.153 0.000 0.665 348 G HN 0.508 nan 8.290 nan 0.000 0.528 349 L N 0.520 121.816 121.223 0.122 0.000 2.109 349 L HA 0.198 4.538 4.340 0.000 0.000 0.207 349 L C 1.926 178.851 176.870 0.092 0.000 1.086 349 L CA 1.414 56.233 54.840 -0.034 0.000 0.760 349 L CB -0.308 41.494 42.059 -0.427 0.000 0.910 349 L HN 0.428 nan 8.230 nan 0.000 0.437 350 S N -0.077 115.823 115.700 0.332 0.000 2.549 350 S HA 0.018 4.488 4.470 0.000 0.000 0.283 350 S C 1.245 175.960 174.600 0.192 0.000 1.320 350 S CA -0.367 58.043 58.200 0.349 0.000 1.058 350 S CB 0.691 64.040 63.200 0.249 0.000 0.882 350 S HN 0.264 nan 8.310 nan 0.000 0.498 351 R N 3.218 123.835 120.500 0.195 0.000 2.316 351 R HA -0.011 4.329 4.340 0.000 0.000 0.202 351 R C 1.848 178.199 176.300 0.085 0.000 1.029 351 R CA 0.789 56.977 56.100 0.147 0.000 1.018 351 R CB -0.438 29.987 30.300 0.208 0.000 0.888 351 R HN 0.778 nan 8.270 nan 0.000 0.471 352 G N 0.471 109.308 108.800 0.060 0.000 2.985 352 G HA2 -0.058 3.902 3.960 0.000 0.000 0.209 352 G HA3 -0.058 3.902 3.960 0.000 0.000 0.209 352 G C 0.316 175.221 174.900 0.008 0.000 1.165 352 G CA -0.281 44.828 45.100 0.014 0.000 0.776 352 G HN 0.148 nan 8.290 nan 0.000 0.541 353 N N 0.399 119.117 118.700 0.030 0.000 2.524 353 N HA 0.537 5.277 4.740 0.000 0.000 0.283 353 N C -0.730 174.784 175.510 0.005 0.000 1.142 353 N CA 0.087 53.146 53.050 0.015 0.000 0.984 353 N CB 1.909 40.422 38.487 0.045 0.000 1.155 353 N HN -0.001 nan 8.380 nan 0.000 0.467 354 L N 0.935 122.143 121.223 -0.024 0.000 2.455 354 L HA 0.548 4.888 4.340 0.000 0.000 0.264 354 L C -0.246 176.586 176.870 -0.064 0.000 0.968 354 L CA -0.956 53.869 54.840 -0.026 0.000 0.827 354 L CB 2.068 44.112 42.059 -0.024 0.000 1.317 354 L HN 0.263 nan 8.230 nan 0.000 0.407 355 V N -0.884 119.013 119.914 -0.028 0.000 3.158 355 V HA 0.908 5.028 4.120 0.000 0.000 0.311 355 V C -0.297 175.808 176.094 0.019 0.000 1.181 355 V CA -0.451 61.830 62.300 -0.032 0.000 1.054 355 V CB 2.144 34.000 31.823 0.054 0.000 1.085 355 V HN 0.826 nan 8.190 nan 0.000 0.446 356 T N -1.935 112.646 114.554 0.045 0.000 2.930 356 T HA 0.796 5.146 4.350 0.000 0.000 0.290 356 T C 0.946 175.701 174.700 0.092 0.000 1.052 356 T CA -0.095 62.040 62.100 0.059 0.000 1.017 356 T CB 1.644 70.537 68.868 0.043 0.000 1.137 356 T HN 1.635 nan 8.240 nan 0.000 0.511 357 A N 0.759 123.626 122.820 0.079 0.000 1.930 357 A HA -0.007 4.313 4.320 0.000 0.000 0.217 357 A C 1.915 179.547 177.584 0.080 0.000 1.175 357 A CA 1.559 53.645 52.037 0.081 0.000 0.627 357 A CB -1.112 17.935 19.000 0.078 0.000 0.815 357 A HN 0.891 nan 8.150 nan 0.000 0.443 358 D N -0.246 120.197 120.400 0.071 0.000 2.133 358 D HA -0.123 4.517 4.640 0.000 0.000 0.195 358 D C 2.051 178.403 176.300 0.087 0.000 0.997 358 D CA 2.004 56.044 54.000 0.066 0.000 0.840 358 D CB -0.562 40.268 40.800 0.051 0.000 0.947 358 D HN 0.439 nan 8.370 nan 0.000 0.452 359 T N 0.190 114.814 114.554 0.118 0.000 2.737 359 T HA -0.089 4.261 4.350 0.000 0.000 0.265 359 T C 2.276 177.141 174.700 0.275 0.000 1.038 359 T CA 0.955 63.166 62.100 0.186 0.000 1.144 359 T CB -0.425 68.545 68.868 0.171 0.000 0.866 359 T HN -0.026 nan 8.240 nan 0.000 0.434 360 V N 1.343 121.418 119.914 0.268 0.000 2.255 360 V HA -0.177 3.943 4.120 0.000 0.000 0.247 360 V C 2.695 178.789 176.094 0.001 0.000 1.051 360 V CA 1.445 63.818 62.300 0.122 0.000 1.018 360 V CB -0.934 30.925 31.823 0.059 0.000 0.641 360 V HN 0.294 nan 8.190 nan 0.000 0.445 361 V N 0.291 120.215 119.914 0.016 0.000 2.255 361 V HA -0.325 3.795 4.120 0.000 0.000 0.247 361 V C 2.474 178.576 176.094 0.014 0.000 1.051 361 V CA 2.439 64.735 62.300 -0.007 0.000 1.018 361 V CB -0.751 31.087 31.823 0.024 0.000 0.641 361 V HN 0.629 nan 8.190 nan 0.000 0.445 362 D N -0.134 120.293 120.400 0.046 0.000 2.154 362 D HA -0.228 4.412 4.640 0.000 0.000 0.190 362 D C 2.039 178.358 176.300 0.032 0.000 1.003 362 D CA 2.019 56.049 54.000 0.051 0.000 0.849 362 D CB -0.286 40.562 40.800 0.080 0.000 0.942 362 D HN 0.311 nan 8.370 nan 0.000 0.446 363 L N 0.508 121.748 121.223 0.029 0.000 2.012 363 L HA -0.128 4.213 4.340 0.000 0.000 0.210 363 L C 2.470 179.294 176.870 -0.076 0.000 1.073 363 L CA 1.506 56.316 54.840 -0.051 0.000 0.748 363 L CB -0.738 41.188 42.059 -0.221 0.000 0.891 363 L HN 0.150 nan 8.230 nan 0.000 0.431 364 L N -0.716 120.485 121.223 -0.036 0.000 2.079 364 L HA -0.148 4.192 4.340 0.000 0.000 0.210 364 L C 2.512 179.477 176.870 0.158 0.000 1.081 364 L CA 1.222 56.092 54.840 0.050 0.000 0.752 364 L CB -1.453 40.481 42.059 -0.207 0.000 0.896 364 L HN 0.490 nan 8.230 nan 0.000 0.433 365 G N -0.937 107.905 108.800 0.070 0.000 2.433 365 G HA2 -0.223 3.737 3.960 0.000 0.000 0.216 365 G HA3 -0.223 3.737 3.960 0.000 0.000 0.216 365 G C 1.458 176.351 174.900 -0.013 0.000 1.186 365 G CA 0.166 45.303 45.100 0.061 0.000 0.779 365 G HN 0.273 nan 8.290 nan 0.000 0.543 366 Q N 0.497 120.265 119.800 -0.053 0.000 2.364 366 Q HA 0.040 4.381 4.340 0.000 0.000 0.209 366 Q C 2.784 178.630 176.000 -0.257 0.000 0.977 366 Q CA 1.065 56.798 55.803 -0.117 0.000 0.885 366 Q CB -0.356 28.340 28.738 -0.070 0.000 0.941 366 Q HN 0.490 nan 8.270 nan 0.000 0.464 367 A N 0.517 123.151 122.820 -0.310 0.000 1.897 367 A HA 0.003 4.323 4.320 0.000 0.000 0.215 367 A C 2.222 179.481 177.584 -0.543 0.000 1.181 367 A CA 1.454 53.120 52.037 -0.617 0.000 0.620 367 A CB -0.684 17.688 19.000 -1.047 0.000 0.821 367 A HN 0.415 nan 8.150 nan 0.000 0.443 368 G N -1.012 107.640 108.800 -0.246 0.000 2.813 368 G HA2 0.073 4.034 3.960 0.000 0.000 0.209 368 G HA3 0.073 4.034 3.960 0.000 0.000 0.209 368 G C 1.513 176.290 174.900 -0.204 0.000 1.150 368 G CA 1.210 46.201 45.100 -0.182 0.000 0.785 368 G HN 0.641 nan 8.290 nan 0.000 0.535 369 S N -0.225 115.324 115.700 -0.252 0.000 2.503 369 S HA 0.559 5.029 4.470 0.000 0.000 0.215 369 S C 1.322 175.722 174.600 -0.332 0.000 1.003 369 S CA 0.613 58.678 58.200 -0.225 0.000 0.910 369 S CB 0.008 63.110 63.200 -0.163 0.000 0.790 369 S HN 0.431 nan 8.310 nan 0.000 0.514 370 A N 2.596 125.071 122.820 -0.576 0.000 2.340 370 A HA 0.582 4.902 4.320 0.000 0.000 0.268 370 A C -0.915 176.245 177.584 -0.706 0.000 1.100 370 A CA -1.446 50.077 52.037 -0.857 0.000 0.803 370 A CB 0.276 18.176 19.000 -1.834 0.000 1.043 370 A HN 0.383 nan 8.150 nan 0.000 0.488 371 P HA -0.138 nan 4.420 nan 0.000 0.219 371 P C 0.893 178.130 177.300 -0.107 0.000 1.146 371 P CA 1.396 64.358 63.100 -0.231 0.000 0.808 371 P CB -0.118 31.521 31.700 -0.102 0.000 0.779 372 W N -1.355 119.959 121.300 0.022 0.000 3.405 372 W HA 0.587 5.247 4.660 0.000 0.000 0.300 372 W C 1.165 177.741 176.519 0.094 0.000 1.286 372 W CA -0.016 57.365 57.345 0.061 0.000 1.762 372 W CB -1.273 28.234 29.460 0.078 0.000 1.087 372 W HN -0.116 nan 8.180 nan 0.000 0.703 373 A N 1.615 124.462 122.820 0.045 0.000 1.986 373 A HA -0.309 4.012 4.320 0.000 0.000 0.220 373 A C 2.119 179.868 177.584 0.276 0.000 1.171 373 A CA 2.181 54.277 52.037 0.098 0.000 0.640 373 A CB -0.552 18.379 19.000 -0.114 0.000 0.811 373 A HN 0.295 nan 8.150 nan 0.000 0.451 374 Q N -0.832 119.088 119.800 0.200 0.000 2.137 374 Q HA -0.073 4.267 4.340 0.000 0.000 0.198 374 Q C 2.355 178.476 176.000 0.202 0.000 0.960 374 Q CA 2.159 58.056 55.803 0.157 0.000 0.847 374 Q CB -0.679 28.119 28.738 0.100 0.000 0.915 374 Q HN 0.770 nan 8.270 nan 0.000 0.448 375 T N -1.604 113.110 114.554 0.266 0.000 2.904 375 T HA -0.136 4.214 4.350 0.000 0.000 0.267 375 T C 1.523 176.397 174.700 0.290 0.000 1.059 375 T CA 0.841 63.087 62.100 0.243 0.000 1.137 375 T CB -0.543 68.459 68.868 0.222 0.000 0.879 375 T HN 0.539 nan 8.240 nan 0.000 0.467 376 W N 1.711 123.152 121.300 0.236 0.000 2.311 376 W HA -0.237 4.423 4.660 0.000 0.000 0.326 376 W C 2.512 179.114 176.519 0.138 0.000 1.239 376 W CA 2.011 59.493 57.345 0.228 0.000 1.258 376 W CB -0.975 28.761 29.460 0.459 0.000 1.165 376 W HN 0.422 nan 8.180 nan 0.000 0.466 377 S N 0.970 116.782 115.700 0.186 0.000 2.387 377 S HA -0.206 4.264 4.470 0.000 0.000 0.230 377 S C 1.984 176.560 174.600 -0.040 0.000 1.035 377 S CA 2.133 60.330 58.200 -0.005 0.000 1.014 377 S CB -0.735 62.487 63.200 0.036 0.000 0.836 377 S HN 0.339 nan 8.310 nan 0.000 0.466 378 A N 0.652 123.484 122.820 0.020 0.000 2.168 378 A HA 0.075 4.395 4.320 0.000 0.000 0.215 378 A C 2.292 179.866 177.584 -0.016 0.000 1.152 378 A CA 1.535 53.582 52.037 0.018 0.000 0.716 378 A CB -0.750 18.287 19.000 0.063 0.000 0.794 378 A HN 0.784 nan 8.150 nan 0.000 0.465 379 S N -0.518 115.138 115.700 -0.074 0.000 2.439 379 S HA 0.184 4.654 4.470 0.000 0.000 0.224 379 S C 0.636 175.100 174.600 -0.226 0.000 1.029 379 S CA -0.184 57.939 58.200 -0.128 0.000 0.946 379 S CB -0.553 62.550 63.200 -0.162 0.000 0.797 379 S HN 0.357 nan 8.310 nan 0.000 0.504 380 L N 3.062 124.128 121.223 -0.261 0.000 2.410 380 L HA 0.365 4.706 4.340 0.000 0.000 0.273 380 L C -2.409 174.346 176.870 -0.192 0.000 1.144 380 L CA -2.163 52.517 54.840 -0.267 0.000 0.863 380 L CB 0.032 41.940 42.059 -0.251 0.000 1.140 380 L HN 0.055 nan 8.230 nan 0.000 0.463 381 P HA -0.065 nan 4.420 nan 0.000 0.266 381 P C -0.834 176.398 177.300 -0.113 0.000 1.186 381 P CA 0.090 63.075 63.100 -0.191 0.000 0.767 381 P CB 0.451 32.029 31.700 -0.202 0.000 0.820 382 V N 2.270 122.131 119.914 -0.088 0.000 2.384 382 V HA 0.491 4.611 4.120 0.000 0.000 0.287 382 V C 0.509 176.576 176.094 -0.043 0.000 1.020 382 V CA -1.206 61.066 62.300 -0.048 0.000 0.850 382 V CB 0.978 32.782 31.823 -0.031 0.000 0.987 382 V HN 0.673 nan 8.190 nan 0.000 0.436 383 A N 3.732 126.533 122.820 -0.031 0.000 2.567 383 A HA 0.479 4.799 4.320 0.000 0.000 0.240 383 A C 1.582 179.147 177.584 -0.032 0.000 1.053 383 A CA 0.935 52.954 52.037 -0.031 0.000 0.755 383 A CB -0.552 18.434 19.000 -0.023 0.000 0.978 383 A HN 2.285 nan 8.150 nan 0.000 0.507 384 G N 1.365 110.148 108.800 -0.028 0.000 2.195 384 G HA2 -0.183 3.777 3.960 0.000 0.000 0.246 384 G HA3 -0.183 3.777 3.960 0.000 0.000 0.246 384 G C 0.038 174.931 174.900 -0.013 0.000 0.984 384 G CA 0.283 45.370 45.100 -0.021 0.000 0.633 384 G HN 0.815 nan 8.290 nan 0.000 0.525 385 E N 1.280 121.472 120.200 -0.013 0.000 2.223 385 E HA 0.388 4.738 4.350 0.000 0.000 0.282 385 E C 1.555 178.163 176.600 0.014 0.000 1.046 385 E CA 0.448 56.848 56.400 0.001 0.000 0.857 385 E CB 1.329 31.029 29.700 0.000 0.000 1.055 385 E HN 0.484 nan 8.360 nan 0.000 0.409 386 S N 1.782 117.496 115.700 0.023 0.000 2.423 386 S HA -0.140 4.330 4.470 0.000 0.000 0.231 386 S C 0.760 175.396 174.600 0.061 0.000 1.014 386 S CA 0.271 58.492 58.200 0.035 0.000 0.965 386 S CB 0.108 63.326 63.200 0.030 0.000 0.785 386 S HN 0.396 nan 8.310 nan 0.000 0.495 387 D N 3.425 123.867 120.400 0.071 0.000 2.363 387 D HA 0.216 4.856 4.640 0.000 0.000 0.263 387 D C -1.613 174.782 176.300 0.158 0.000 1.258 387 D CA -2.141 51.930 54.000 0.118 0.000 0.907 387 D CB 1.270 42.139 40.800 0.114 0.000 1.107 387 D HN 0.038 nan 8.370 nan 0.000 0.495 388 P HA -0.166 nan 4.420 nan 0.000 0.216 388 P C 1.070 178.483 177.300 0.188 0.000 1.154 388 P CA 1.125 64.394 63.100 0.281 0.000 0.865 388 P CB -0.021 31.900 31.700 0.369 0.000 0.789 389 F N -2.020 118.061 119.950 0.220 0.000 2.699 389 F HA -0.057 4.470 4.527 0.000 0.000 0.298 389 F C 2.021 177.798 175.800 -0.038 0.000 1.154 389 F CA 0.676 58.743 58.000 0.112 0.000 1.457 389 F CB -0.432 38.674 39.000 0.177 0.000 1.106 389 F HN -0.215 nan 8.300 nan 0.000 0.585 390 V N -1.514 118.458 119.914 0.097 0.000 2.721 390 V HA 0.116 4.236 4.120 0.000 0.000 0.236 390 V C 2.469 178.522 176.094 -0.068 0.000 1.116 390 V CA 1.389 63.701 62.300 0.019 0.000 1.148 390 V CB -0.849 31.004 31.823 0.050 0.000 0.886 390 V HN 0.258 nan 8.190 nan 0.000 0.490 391 G N -0.626 108.140 108.800 -0.056 0.000 2.402 391 G HA2 0.263 4.223 3.960 0.000 0.000 0.216 391 G HA3 0.263 4.223 3.960 0.000 0.000 0.216 391 G C 1.169 175.969 174.900 -0.167 0.000 1.162 391 G CA 1.322 46.374 45.100 -0.080 0.000 0.777 391 G HN 0.947 nan 8.290 nan 0.000 0.539 392 G N -0.308 108.330 108.800 -0.270 0.000 2.591 392 G HA2 -0.331 3.629 3.960 0.000 0.000 0.298 392 G HA3 -0.331 3.629 3.960 0.000 0.000 0.298 392 G C 1.379 176.161 174.900 -0.197 0.000 1.195 392 G CA 2.021 46.826 45.100 -0.493 0.000 0.989 392 G HN 1.264 nan 8.290 nan 0.000 0.551 393 T N -0.311 114.129 114.554 -0.190 0.000 3.160 393 T HA 0.390 4.740 4.350 0.000 0.000 0.257 393 T C 1.991 176.647 174.700 -0.074 0.000 1.147 393 T CA 1.492 63.540 62.100 -0.086 0.000 1.064 393 T CB 0.074 68.887 68.868 -0.092 0.000 0.949 393 T HN 0.502 nan 8.240 nan 0.000 0.526 394 L N 0.006 121.176 121.223 -0.089 0.000 2.728 394 L HA 0.487 4.827 4.340 0.000 0.000 0.238 394 L C 2.603 179.446 176.870 -0.045 0.000 1.143 394 L CA 0.011 54.814 54.840 -0.062 0.000 0.937 394 L CB -0.231 41.790 42.059 -0.063 0.000 1.225 394 L HN 0.287 nan 8.230 nan 0.000 0.507 395 A N 0.304 123.100 122.820 -0.039 0.000 1.978 395 A HA -0.173 4.147 4.320 0.000 0.000 0.220 395 A C 1.621 179.199 177.584 -0.009 0.000 1.170 395 A CA 1.587 53.614 52.037 -0.016 0.000 0.636 395 A CB -0.231 18.775 19.000 0.010 0.000 0.810 395 A HN 0.417 nan 8.150 nan 0.000 0.448 396 N N -0.453 118.240 118.700 -0.012 0.000 2.401 396 N HA 0.199 4.939 4.740 0.000 0.000 0.264 396 N C -0.529 174.969 175.510 -0.020 0.000 1.238 396 N CA 0.053 53.095 53.050 -0.012 0.000 0.889 396 N CB 0.389 38.872 38.487 -0.008 0.000 1.196 396 N HN 0.418 nan 8.380 nan 0.000 0.511 397 R N -0.172 120.314 120.500 -0.024 0.000 2.740 397 R HA 0.405 4.745 4.340 0.000 0.000 0.282 397 R C 0.580 176.864 176.300 -0.028 0.000 0.969 397 R CA -0.550 55.534 56.100 -0.028 0.000 0.918 397 R CB 1.522 31.804 30.300 -0.030 0.000 1.175 397 R HN 0.065 nan 8.270 nan 0.000 0.464 398 M N 0.694 120.276 119.600 -0.031 0.000 2.682 398 M HA -0.264 4.216 4.480 0.000 0.000 0.196 398 M C -0.352 175.931 176.300 -0.030 0.000 0.542 398 M CA 0.980 56.260 55.300 -0.034 0.000 0.593 398 M CB -1.063 31.512 32.600 -0.040 0.000 2.183 398 M HN 0.420 nan 8.290 nan 0.000 0.663 399 R N 0.964 121.450 120.500 -0.024 0.000 2.585 399 R HA 0.243 4.583 4.340 0.000 0.000 0.275 399 R C 1.391 177.680 176.300 -0.018 0.000 1.018 399 R CA 1.279 57.368 56.100 -0.018 0.000 1.072 399 R CB 0.150 30.442 30.300 -0.014 0.000 0.953 399 R HN 0.667 nan 8.270 nan 0.000 0.419 400 G N 1.803 110.594 108.800 -0.015 0.000 2.179 400 G HA2 -0.310 3.650 3.960 0.000 0.000 0.257 400 G HA3 -0.310 3.650 3.960 0.000 0.000 0.257 400 G C 0.302 175.193 174.900 -0.014 0.000 1.010 400 G CA 1.001 46.094 45.100 -0.012 0.000 0.736 400 G HN 0.811 nan 8.290 nan 0.000 0.513 401 T N -4.560 109.982 114.554 -0.021 0.000 2.883 401 T HA 0.810 5.160 4.350 0.000 0.000 0.284 401 T C 1.448 176.132 174.700 -0.027 0.000 1.041 401 T CA 0.284 62.370 62.100 -0.023 0.000 1.007 401 T CB 1.648 70.497 68.868 -0.032 0.000 1.220 401 T HN 1.295 nan 8.240 nan 0.000 0.552 402 A N -0.156 122.652 122.820 -0.021 0.000 2.121 402 A HA 0.387 4.707 4.320 0.000 0.000 0.218 402 A C 2.356 179.878 177.584 -0.103 0.000 1.154 402 A CA 1.333 53.357 52.037 -0.021 0.000 0.679 402 A CB -1.350 17.672 19.000 0.036 0.000 0.795 402 A HN 1.171 nan 8.150 nan 0.000 0.458 403 A N -0.232 122.535 122.820 -0.088 0.000 1.970 403 A HA 0.011 4.331 4.320 0.000 0.000 0.216 403 A C 1.141 178.660 177.584 -0.108 0.000 1.170 403 A CA 0.565 52.539 52.037 -0.105 0.000 0.645 403 A CB -0.341 18.613 19.000 -0.076 0.000 0.816 403 A HN 0.576 nan 8.150 nan 0.000 0.447 404 E N -0.263 119.888 120.200 -0.081 0.000 2.585 404 E HA 0.229 4.580 4.350 0.000 0.000 0.252 404 E C 1.175 177.729 176.600 -0.076 0.000 0.981 404 E CA 0.612 56.975 56.400 -0.062 0.000 0.943 404 E CB -0.181 29.495 29.700 -0.040 0.000 0.923 404 E HN 0.712 nan 8.360 nan 0.000 0.486 405 G N 2.543 111.309 108.800 -0.058 0.000 2.205 405 G HA2 -0.300 3.660 3.960 0.000 0.000 0.261 405 G HA3 -0.300 3.660 3.960 0.000 0.000 0.261 405 G C 0.666 175.525 174.900 -0.068 0.000 0.980 405 G CA 0.380 45.451 45.100 -0.047 0.000 0.632 405 G HN 0.474 nan 8.290 nan 0.000 0.533 406 V N -0.074 119.767 119.914 -0.121 0.000 2.735 406 V HA 0.246 4.366 4.120 0.000 0.000 0.234 406 V C 1.817 177.886 176.094 -0.041 0.000 1.121 406 V CA 0.798 63.003 62.300 -0.158 0.000 1.160 406 V CB 0.022 31.562 31.823 -0.471 0.000 0.908 406 V HN 0.221 nan 8.190 nan 0.000 0.495 407 V N 2.222 122.119 119.914 -0.029 0.000 2.540 407 V HA 0.074 4.194 4.120 0.000 0.000 0.297 407 V C 0.123 176.264 176.094 0.078 0.000 1.024 407 V CA 0.571 62.910 62.300 0.065 0.000 1.105 407 V CB 0.444 32.303 31.823 0.060 0.000 0.938 407 V HN 0.522 nan 8.190 nan 0.000 0.482 408 E N 3.555 123.836 120.200 0.135 0.000 2.186 408 E HA 0.686 5.037 4.350 0.000 0.000 0.255 408 E C -0.619 176.009 176.600 0.047 0.000 0.881 408 E CA -0.292 56.160 56.400 0.087 0.000 0.752 408 E CB 1.384 31.165 29.700 0.135 0.000 1.176 408 E HN 0.886 nan 8.360 nan 0.000 0.421 409 A N 3.610 126.400 122.820 -0.049 0.000 2.612 409 A HA 0.592 4.912 4.320 0.000 0.000 0.293 409 A C -1.615 175.862 177.584 -0.178 0.000 1.075 409 A CA -0.884 51.066 52.037 -0.144 0.000 0.680 409 A CB 1.682 20.653 19.000 -0.048 0.000 1.279 409 A HN 0.384 nan 8.150 nan 0.000 0.411 410 K N 0.962 121.226 120.400 -0.226 0.000 2.206 410 K HA 0.646 4.966 4.320 0.000 0.000 0.264 410 K C 0.273 176.784 176.600 -0.149 0.000 0.967 410 K CA 0.200 56.360 56.287 -0.211 0.000 0.844 410 K CB 1.010 33.361 32.500 -0.247 0.000 1.099 410 K HN 0.891 nan 8.250 nan 0.000 0.441 411 T N -0.068 114.411 114.554 -0.126 0.000 2.816 411 T HA 0.756 5.106 4.350 0.000 0.000 0.282 411 T C 0.283 174.941 174.700 -0.071 0.000 0.993 411 T CA -0.653 61.396 62.100 -0.086 0.000 0.994 411 T CB 1.366 70.184 68.868 -0.082 0.000 1.025 411 T HN 0.602 nan 8.240 nan 0.000 0.529 412 G N 0.629 109.399 108.800 -0.049 0.000 2.596 412 G HA2 0.532 4.492 3.960 0.000 0.000 0.300 412 G HA3 0.532 4.492 3.960 0.000 0.000 0.300 412 G C -0.976 173.908 174.900 -0.027 0.000 1.370 412 G CA -0.787 44.293 45.100 -0.033 0.000 1.170 412 G HN 1.020 nan 8.290 nan 0.000 0.594 413 T N 0.050 114.578 114.554 -0.044 0.000 3.105 413 T HA 0.770 5.121 4.350 0.000 0.000 0.321 413 T C -0.229 174.429 174.700 -0.071 0.000 1.135 413 T CA -0.672 61.404 62.100 -0.040 0.000 1.053 413 T CB 1.707 70.545 68.868 -0.050 0.000 1.133 413 T HN 1.672 nan 8.240 nan 0.000 0.463 414 M N -0.548 119.024 119.600 -0.046 0.000 3.147 414 M HA 0.662 5.142 4.480 0.000 0.000 0.276 414 M C -1.132 175.132 176.300 -0.060 0.000 1.211 414 M CA -0.965 54.285 55.300 -0.083 0.000 0.820 414 M CB 1.503 34.047 32.600 -0.094 0.000 1.621 414 M HN 0.375 nan 8.290 nan 0.000 0.507 415 S N 0.951 116.593 115.700 -0.096 0.000 2.784 415 S HA 0.317 4.787 4.470 0.000 0.000 0.322 415 S C 1.222 175.745 174.600 -0.129 0.000 1.234 415 S CA 2.060 60.196 58.200 -0.106 0.000 1.064 415 S CB -0.583 62.532 63.200 -0.141 0.000 0.787 415 S HN 1.587 nan 8.310 nan 0.000 0.506 416 G N 2.518 111.193 108.800 -0.209 0.000 2.187 416 G HA2 -0.224 3.736 3.960 0.000 0.000 0.261 416 G HA3 -0.224 3.736 3.960 0.000 0.000 0.261 416 G C -0.037 174.592 174.900 -0.452 0.000 1.000 416 G CA 0.300 45.105 45.100 -0.491 0.000 0.718 416 G HN 0.906 nan 8.290 nan 0.000 0.519 417 V N -0.757 119.096 119.914 -0.101 0.000 2.733 417 V HA 0.856 4.976 4.120 0.000 0.000 0.306 417 V C -0.113 176.100 176.094 0.199 0.000 1.084 417 V CA -0.057 62.294 62.300 0.085 0.000 0.905 417 V CB 2.027 33.861 31.823 0.018 0.000 1.010 417 V HN 0.808 nan 8.190 nan 0.000 0.424 418 S N 2.221 118.040 115.700 0.199 0.000 2.570 418 S HA 0.958 5.428 4.470 0.000 0.000 0.270 418 S C -1.320 173.311 174.600 0.050 0.000 1.149 418 S CA 0.277 58.525 58.200 0.080 0.000 0.837 418 S CB 2.024 65.226 63.200 0.004 0.000 1.124 418 S HN 1.871 nan 8.310 nan 0.000 0.465 419 A N 1.809 124.641 122.820 0.019 0.000 2.577 419 A HA 0.771 5.091 4.320 0.000 0.000 0.297 419 A C -2.132 175.451 177.584 -0.001 0.000 1.060 419 A CA -0.483 51.564 52.037 0.018 0.000 0.697 419 A CB 1.536 20.549 19.000 0.022 0.000 1.281 419 A HN 1.167 nan 8.150 nan 0.000 0.402 420 L N 1.374 122.604 121.223 0.012 0.000 2.482 420 L HA 0.759 5.099 4.340 0.000 0.000 0.269 420 L C -0.918 175.894 176.870 -0.097 0.000 0.967 420 L CA 0.354 55.199 54.840 0.008 0.000 0.851 420 L CB 2.057 44.184 42.059 0.114 0.000 1.242 420 L HN 0.653 nan 8.230 nan 0.000 0.404 421 S N 2.722 118.233 115.700 -0.316 0.000 2.538 421 S HA 1.009 5.479 4.470 0.000 0.000 0.288 421 S C -0.109 173.995 174.600 -0.828 0.000 1.108 421 S CA -0.053 57.756 58.200 -0.651 0.000 0.971 421 S CB 1.824 64.803 63.200 -0.368 0.000 1.041 421 S HN 1.086 nan 8.310 nan 0.000 0.483 422 G N 1.420 109.413 108.800 -1.345 0.000 2.498 422 G HA2 0.442 4.402 3.960 0.000 0.000 0.181 422 G HA3 0.442 4.402 3.960 0.000 0.000 0.181 422 G C -2.347 172.083 174.900 -0.783 0.000 1.169 422 G CA -0.529 44.016 45.100 -0.925 0.000 0.992 422 G HN 0.500 nan 8.290 nan 0.000 0.490 423 Y N -0.938 119.351 120.300 -0.019 0.000 2.524 423 Y HA 0.667 5.217 4.550 0.000 0.000 0.344 423 Y C -0.101 175.939 175.900 0.232 0.000 1.012 423 Y CA -0.970 57.215 58.100 0.142 0.000 1.068 423 Y CB 2.743 41.266 38.460 0.105 0.000 1.249 423 Y HN 0.294 nan 8.280 nan 0.000 0.468 424 V N 4.024 124.169 119.914 0.386 0.000 2.380 424 V HA 0.391 4.511 4.120 0.000 0.000 0.286 424 V C -2.561 173.673 176.094 0.232 0.000 1.015 424 V CA -1.863 60.593 62.300 0.261 0.000 0.834 424 V CB 1.264 33.201 31.823 0.190 0.000 1.009 424 V HN 0.525 nan 8.190 nan 0.000 0.428 425 P HA 0.715 nan 4.420 nan 0.000 0.286 425 P C -0.090 177.386 177.300 0.293 0.000 1.261 425 P CA -0.019 63.197 63.100 0.193 0.000 0.821 425 P CB 2.538 34.323 31.700 0.141 0.000 1.013 426 G N 1.491 110.412 108.800 0.201 0.000 2.506 426 G HA2 0.412 4.372 3.960 0.000 0.000 0.292 426 G HA3 0.412 4.372 3.960 0.000 0.000 0.292 426 G C -2.668 172.223 174.900 -0.015 0.000 1.425 426 G CA -0.807 44.350 45.100 0.095 0.000 0.788 426 G HN 0.106 nan 8.290 nan 0.000 0.490 427 P HA 0.085 nan 4.420 nan 0.000 0.223 427 P C 0.894 178.161 177.300 -0.054 0.000 1.151 427 P CA 0.919 63.973 63.100 -0.076 0.000 0.787 427 P CB 0.394 32.027 31.700 -0.111 0.000 0.788 428 E N -0.232 119.930 120.200 -0.063 0.000 2.437 428 E HA 0.351 4.701 4.350 0.000 0.000 0.189 428 E C 0.616 177.219 176.600 0.004 0.000 1.054 428 E CA 0.024 56.395 56.400 -0.050 0.000 0.874 428 E CB -0.010 29.630 29.700 -0.100 0.000 1.011 428 E HN 0.163 nan 8.360 nan 0.000 0.474 429 G N 1.922 110.743 108.800 0.036 0.000 2.459 429 G HA2 -0.143 3.817 3.960 0.000 0.000 0.685 429 G HA3 -0.143 3.817 3.960 0.000 0.000 0.685 429 G C -1.307 173.664 174.900 0.118 0.000 1.303 429 G CA -0.928 44.218 45.100 0.077 0.000 0.907 429 G HN 0.113 nan 8.290 nan 0.000 0.632 430 E N -0.606 119.669 120.200 0.125 0.000 2.191 430 E HA 0.742 5.092 4.350 0.000 0.000 0.274 430 E C 0.101 176.813 176.600 0.187 0.000 0.948 430 E CA -0.859 55.635 56.400 0.157 0.000 0.802 430 E CB 1.076 30.854 29.700 0.130 0.000 1.137 430 E HN 0.563 nan 8.360 nan 0.000 0.397 431 L N 2.087 123.446 121.223 0.227 0.000 2.303 431 L HA 0.873 5.213 4.340 0.000 0.000 0.266 431 L C -0.627 176.416 176.870 0.287 0.000 1.011 431 L CA -1.263 53.711 54.840 0.223 0.000 0.818 431 L CB 1.979 44.147 42.059 0.181 0.000 1.326 431 L HN 0.624 nan 8.230 nan 0.000 0.435 432 A N 1.558 124.511 122.820 0.221 0.000 2.398 432 A HA 0.836 5.156 4.320 0.000 0.000 0.301 432 A C -1.247 176.416 177.584 0.131 0.000 1.041 432 A CA -0.347 51.755 52.037 0.108 0.000 0.711 432 A CB 1.314 20.346 19.000 0.053 0.000 1.240 432 A HN 0.590 nan 8.150 nan 0.000 0.420 433 F N 0.299 120.188 119.950 -0.103 0.000 2.613 433 F HA 0.867 5.394 4.527 0.000 0.000 0.310 433 F C -0.518 175.235 175.800 -0.078 0.000 1.085 433 F CA -0.815 57.143 58.000 -0.070 0.000 0.945 433 F CB 1.793 40.755 39.000 -0.063 0.000 1.298 433 F HN 0.499 nan 8.300 nan 0.000 0.455 434 S N 3.040 118.768 115.700 0.046 0.000 2.672 434 S HA 0.740 5.210 4.470 0.000 0.000 0.291 434 S C -1.381 173.297 174.600 0.129 0.000 1.145 434 S CA -0.501 57.688 58.200 -0.018 0.000 1.013 434 S CB 0.650 63.834 63.200 -0.026 0.000 1.017 434 S HN 0.651 nan 8.310 nan 0.000 0.487 435 I N 4.733 125.387 120.570 0.138 0.000 2.382 435 I HA 0.495 4.665 4.170 0.000 0.000 0.286 435 I C -0.924 175.237 176.117 0.074 0.000 1.002 435 I CA -0.828 60.544 61.300 0.120 0.000 1.135 435 I CB 1.907 39.985 38.000 0.130 0.000 1.288 435 I HN 0.283 nan 8.210 nan 0.000 0.448 436 V N 6.029 125.986 119.914 0.071 0.000 2.407 436 V HA 0.419 4.539 4.120 0.000 0.000 0.291 436 V C -0.451 175.687 176.094 0.073 0.000 1.018 436 V CA -0.749 61.591 62.300 0.066 0.000 0.842 436 V CB 1.569 33.433 31.823 0.068 0.000 0.996 436 V HN 0.655 nan 8.190 nan 0.000 0.426 437 N N 4.364 123.115 118.700 0.085 0.000 2.400 437 N HA 0.503 5.243 4.740 0.000 0.000 0.288 437 N C -0.959 174.659 175.510 0.180 0.000 1.024 437 N CA -0.430 52.696 53.050 0.127 0.000 0.894 437 N CB 2.183 40.730 38.487 0.100 0.000 1.173 437 N HN 0.678 nan 8.380 nan 0.000 0.487 438 N N -0.439 118.346 118.700 0.142 0.000 2.229 438 N HA 0.417 5.157 4.740 0.000 0.000 0.298 438 N C 0.390 175.897 175.510 -0.004 0.000 1.114 438 N CA -0.455 52.623 53.050 0.046 0.000 0.776 438 N CB 2.464 40.963 38.487 0.021 0.000 1.501 438 N HN 0.672 nan 8.380 nan 0.000 0.474 439 G N 0.779 109.473 108.800 -0.177 0.000 2.176 439 G HA2 -0.252 3.708 3.960 0.000 0.000 0.253 439 G HA3 -0.252 3.708 3.960 0.000 0.000 0.253 439 G C 0.099 174.919 174.900 -0.133 0.000 0.979 439 G CA 0.322 45.337 45.100 -0.141 0.000 0.641 439 G HN 0.877 nan 8.290 nan 0.000 0.530 440 H N 0.367 119.433 119.070 -0.007 0.000 2.929 440 H HA 0.469 5.025 4.556 0.000 0.000 0.358 440 H C 1.471 176.790 175.328 -0.015 0.000 1.111 440 H CA 0.791 56.833 56.048 -0.010 0.000 1.409 440 H CB 0.851 30.606 29.762 -0.012 0.000 1.373 440 H HN 0.528 nan 8.280 nan 0.000 0.610 441 S N 0.824 116.583 115.700 0.100 0.000 2.535 441 S HA 0.239 4.709 4.470 0.000 0.000 0.214 441 S C 0.974 175.601 174.600 0.045 0.000 0.980 441 S CA 0.113 58.331 58.200 0.030 0.000 0.907 441 S CB 0.198 63.411 63.200 0.021 0.000 0.790 441 S HN 0.911 nan 8.310 nan 0.000 0.510 442 G N 1.748 110.614 108.800 0.110 0.000 3.310 442 G HA2 0.603 4.563 3.960 0.000 0.000 0.174 442 G HA3 0.603 4.563 3.960 0.000 0.000 0.174 442 G C -2.822 172.153 174.900 0.125 0.000 1.097 442 G CA -0.824 44.323 45.100 0.078 0.000 0.795 442 G HN 0.365 nan 8.290 nan 0.000 0.670 443 P HA 0.425 nan 4.420 nan 0.000 0.272 443 P C -0.125 177.146 177.300 -0.049 0.000 1.223 443 P CA 0.064 63.173 63.100 0.014 0.000 0.784 443 P CB 0.856 32.543 31.700 -0.023 0.000 0.923 444 A N 3.723 126.501 122.820 -0.070 0.000 2.566 444 A HA 0.149 4.469 4.320 0.000 0.000 0.245 444 A C -1.682 175.756 177.584 -0.244 0.000 1.056 444 A CA -0.646 51.259 52.037 -0.220 0.000 0.757 444 A CB -1.376 17.568 19.000 -0.094 0.000 0.979 444 A HN 0.370 nan 8.150 nan 0.000 0.508 445 P HA 0.077 nan 4.420 nan 0.000 0.235 445 P C 0.719 177.938 177.300 -0.135 0.000 1.720 445 P CA 0.072 63.044 63.100 -0.215 0.000 1.003 445 P CB -0.146 31.415 31.700 -0.232 0.000 1.968 446 L N -0.042 121.116 121.223 -0.108 0.000 2.131 446 L HA -0.193 4.147 4.340 0.000 0.000 0.210 446 L C 2.311 179.141 176.870 -0.066 0.000 1.092 446 L CA 1.604 56.398 54.840 -0.075 0.000 0.759 446 L CB -0.897 41.124 42.059 -0.063 0.000 0.903 446 L HN 0.191 nan 8.230 nan 0.000 0.435 447 A N -0.248 122.532 122.820 -0.067 0.000 1.898 447 A HA -0.111 4.210 4.320 0.000 0.000 0.216 447 A C 2.376 179.921 177.584 -0.065 0.000 1.181 447 A CA 1.383 53.384 52.037 -0.059 0.000 0.620 447 A CB -0.692 18.277 19.000 -0.053 0.000 0.819 447 A HN 0.160 nan 8.150 nan 0.000 0.442 448 V N 0.036 119.908 119.914 -0.070 0.000 2.287 448 V HA -0.342 3.778 4.120 0.000 0.000 0.248 448 V C 2.703 178.750 176.094 -0.079 0.000 1.053 448 V CA 2.419 64.676 62.300 -0.073 0.000 1.027 448 V CB -0.845 30.936 31.823 -0.070 0.000 0.646 448 V HN 0.654 nan 8.190 nan 0.000 0.447 449 Q N -0.620 119.139 119.800 -0.068 0.000 2.050 449 Q HA -0.226 4.114 4.340 0.000 0.000 0.202 449 Q C 2.095 178.052 176.000 -0.071 0.000 0.980 449 Q CA 1.874 57.646 55.803 -0.051 0.000 0.840 449 Q CB -0.267 28.456 28.738 -0.024 0.000 0.898 449 Q HN 0.634 nan 8.270 nan 0.000 0.424 450 D N 0.583 120.943 120.400 -0.066 0.000 2.104 450 D HA -0.158 4.482 4.640 0.000 0.000 0.194 450 D C 1.804 178.045 176.300 -0.098 0.000 0.994 450 D CA 1.421 55.377 54.000 -0.073 0.000 0.830 450 D CB -0.424 40.342 40.800 -0.057 0.000 0.959 450 D HN 0.266 nan 8.370 nan 0.000 0.452 451 A N 0.796 123.561 122.820 -0.092 0.000 1.892 451 A HA -0.207 4.113 4.320 0.000 0.000 0.218 451 A C 2.407 179.912 177.584 -0.132 0.000 1.188 451 A CA 1.366 53.346 52.037 -0.095 0.000 0.631 451 A CB -0.871 18.080 19.000 -0.082 0.000 0.822 451 A HN 0.240 nan 8.150 nan 0.000 0.447 452 I N -0.575 119.894 120.570 -0.168 0.000 2.252 452 I HA -0.223 3.947 4.170 0.000 0.000 0.245 452 I C 2.966 178.887 176.117 -0.325 0.000 1.102 452 I CA 0.903 62.058 61.300 -0.242 0.000 1.385 452 I CB -0.359 37.487 38.000 -0.257 0.000 1.064 452 I HN 0.359 nan 8.210 nan 0.000 0.414 453 A N 0.530 123.150 122.820 -0.334 0.000 1.908 453 A HA -0.159 4.161 4.320 0.000 0.000 0.218 453 A C 2.427 179.867 177.584 -0.241 0.000 1.181 453 A CA 1.839 53.636 52.037 -0.401 0.000 0.627 453 A CB -0.942 17.911 19.000 -0.245 0.000 0.818 453 A HN 0.246 nan 8.150 nan 0.000 0.445 454 V N -0.050 119.770 119.914 -0.156 0.000 2.307 454 V HA -0.227 3.893 4.120 0.000 0.000 0.245 454 V C 2.642 178.690 176.094 -0.078 0.000 1.045 454 V CA 2.279 64.521 62.300 -0.097 0.000 1.024 454 V CB -0.831 30.950 31.823 -0.070 0.000 0.651 454 V HN 0.626 nan 8.190 nan 0.000 0.449 455 R N 0.604 121.043 120.500 -0.102 0.000 2.103 455 R HA -0.150 4.191 4.340 0.000 0.000 0.242 455 R C 2.012 178.284 176.300 -0.047 0.000 1.142 455 R CA 1.829 57.885 56.100 -0.074 0.000 0.960 455 R CB -0.919 29.313 30.300 -0.114 0.000 0.858 455 R HN 0.530 nan 8.270 nan 0.000 0.439 456 L N -0.519 120.624 121.223 -0.134 0.000 2.083 456 L HA -0.059 4.281 4.340 0.000 0.000 0.209 456 L C 2.501 179.400 176.870 0.049 0.000 1.083 456 L CA 1.333 56.111 54.840 -0.105 0.000 0.752 456 L CB -0.659 41.237 42.059 -0.272 0.000 0.899 456 L HN 0.292 nan 8.230 nan 0.000 0.433 457 A N 0.226 123.058 122.820 0.019 0.000 1.930 457 A HA -0.177 4.143 4.320 0.000 0.000 0.217 457 A C 2.149 179.848 177.584 0.193 0.000 1.175 457 A CA 1.411 53.507 52.037 0.099 0.000 0.627 457 A CB -0.351 18.641 19.000 -0.013 0.000 0.815 457 A HN 0.474 nan 8.150 nan 0.000 0.443 458 E N -1.895 118.380 120.200 0.125 0.000 2.274 458 E HA -0.153 4.197 4.350 0.000 0.000 0.194 458 E C 1.682 178.345 176.600 0.105 0.000 0.996 458 E CA 1.082 57.546 56.400 0.106 0.000 0.840 458 E CB -0.247 29.491 29.700 0.063 0.000 0.772 458 E HN 0.816 nan 8.360 nan 0.000 0.491 459 Y N 1.092 121.402 120.300 0.017 0.000 2.220 459 Y HA -0.054 4.496 4.550 0.000 0.000 0.291 459 Y C 2.263 178.177 175.900 0.024 0.000 1.129 459 Y CA 1.203 59.309 58.100 0.011 0.000 1.161 459 Y CB -0.016 38.443 38.460 -0.001 0.000 0.997 459 Y HN -0.007 nan 8.280 nan 0.000 0.522 460 A N -0.709 122.260 122.820 0.249 0.000 2.209 460 A HA 0.246 4.566 4.320 0.000 0.000 0.212 460 A C 1.845 179.433 177.584 0.007 0.000 1.158 460 A CA 1.254 53.395 52.037 0.174 0.000 0.742 460 A CB -1.173 17.982 19.000 0.259 0.000 0.790 460 A HN 0.873 nan 8.150 nan 0.000 0.472 461 G N -2.459 106.319 108.800 -0.036 0.000 2.229 461 G HA2 -0.134 3.826 3.960 0.000 0.000 0.189 461 G HA3 -0.134 3.826 3.960 0.000 0.000 0.189 461 G C 0.148 174.945 174.900 -0.172 0.000 1.000 461 G CA 0.043 45.054 45.100 -0.148 0.000 0.663 461 G HN 0.608 nan 8.290 nan 0.000 0.493 462 H N 1.297 120.371 119.070 0.006 0.000 2.603 462 H HA 0.466 5.022 4.556 0.000 0.000 0.370 462 H C 0.695 176.023 175.328 -0.000 0.000 1.225 462 H CA 0.938 56.989 56.048 0.005 0.000 1.410 462 H CB 0.768 30.538 29.762 0.012 0.000 1.495 462 H HN 0.680 nan 8.280 nan 0.000 0.602 463 Q N -0.003 119.879 119.800 0.137 0.000 2.399 463 Q HA 0.685 5.025 4.340 0.000 0.000 0.276 463 Q C -1.145 174.890 176.000 0.058 0.000 1.098 463 Q CA -1.446 54.398 55.803 0.069 0.000 0.827 463 Q CB 2.149 30.910 28.738 0.037 0.000 1.386 463 Q HN 0.605 nan 8.270 nan 0.000 0.443 464 A N 2.618 125.457 122.820 0.032 0.000 2.454 464 A HA 0.429 4.749 4.320 0.000 0.000 0.260 464 A C -1.933 175.661 177.584 0.015 0.000 1.106 464 A CA -1.082 50.965 52.037 0.017 0.000 0.780 464 A CB -0.563 18.442 19.000 0.008 0.000 1.044 464 A HN 0.617 nan 8.150 nan 0.000 0.498 465 P HA 0.171 nan 4.420 nan 0.000 0.269 465 P C -0.226 177.077 177.300 0.005 0.000 1.217 465 P CA 0.255 63.361 63.100 0.009 0.000 0.783 465 P CB 0.632 32.335 31.700 0.006 0.000 0.898 466 E N 0.000 120.203 120.200 0.005 0.000 2.725 466 E HA 0.000 4.350 4.350 0.000 0.000 0.291 466 E CA 0.000 56.402 56.400 0.003 0.000 0.976 466 E CB 0.000 29.702 29.700 0.003 0.000 0.812 466 E HN 0.000 nan 8.360 nan 0.000 0.440