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 2cbi_1_B DATA FIRST_RESID 41 DATA SEQUENCE VLVPNLNPTP ENLEVVGDGF KITSSINLVG EEEADENAVN ALREFLTANN DATA SEQUENCE IEINSENDPN STTLIIGEVD DDIPELDEAL NGTTAENLKE EGYALVSNDG DATA SEQUENCE KIAIEGKDGD GTFYGVQTFK QLVKESNIPE VNITDYPTVS ARGIVEGFYG DATA SEQUENCE TPWTHQDRLD QIKFYGENKL NTYIYAPKDD PYHREKWREP YPESEMQRMQ DATA SEQUENCE ELINASAENK VDFVFGISPG IDIRFDGDAG EEDFNHLITK AESLYDMGVR DATA SEQUENCE SFAIYWDDIQ DKSAAKHAQV LNRFNEEFVK AKGDVKPLIT VPTEYDTGAM DATA SEQUENCE VSNGQPRAYT RIFAETVDPS IEVMWTGPGV VTNEIPLSDA QLISGIYNRN DATA SEQUENCE MAVWWNYPVT DYFKGKLALG PMHGLDKGLN QYVDFFTVNP MEHAELSKIS DATA SEQUENCE IHTAADYSWN MDNYDYDKAW NRAIDMLYGD LAEDMKVFAN HSTRMDNKTW DATA SEQUENCE AKSGREDAPE LRAKMDELWN KLSSKEDASA LIEELYGEFA RMEEACNNLK DATA SEQUENCE ANLPEVALEE CSRQLDELIT LAQGDKASLD MIVAQLNEDT EAYESAKEIA DATA SEQUENCE QNKLNTALSS FAVISEKVAQ SFIQEALSFD LTLI 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 41 V HA 0.000 nan 4.120 nan 0.000 0.244 41 V C 0.000 176.080 176.094 -0.024 0.000 1.182 41 V CA 0.000 62.289 62.300 -0.018 0.000 1.235 41 V CB 0.000 31.819 31.823 -0.006 0.000 1.184 42 L N 2.405 123.612 121.223 -0.027 0.000 2.395 42 L HA 0.586 4.927 4.340 0.001 0.000 0.269 42 L C -0.063 176.786 176.870 -0.035 0.000 1.133 42 L CA -0.682 54.143 54.840 -0.025 0.000 0.812 42 L CB 1.432 43.479 42.059 -0.020 0.000 1.125 42 L HN 0.196 nan 8.230 nan 0.000 0.452 43 V N 3.167 123.064 119.914 -0.029 0.000 2.446 43 V HA 0.112 4.233 4.120 0.001 0.000 0.276 43 V C -1.646 174.427 176.094 -0.035 0.000 1.030 43 V CA -1.160 61.120 62.300 -0.034 0.000 1.033 43 V CB 0.144 31.954 31.823 -0.021 0.000 0.993 43 V HN 0.662 nan 8.190 nan 0.000 0.477 44 P HA 0.142 nan 4.420 nan 0.000 0.273 44 P C -0.079 177.203 177.300 -0.031 0.000 1.250 44 P CA -0.649 62.426 63.100 -0.042 0.000 0.793 44 P CB 0.323 31.988 31.700 -0.058 0.000 1.011 45 N N 0.373 119.061 118.700 -0.019 0.000 2.357 45 N HA 0.013 4.753 4.740 0.001 0.000 0.257 45 N C -0.444 175.062 175.510 -0.007 0.000 1.250 45 N CA 0.695 53.744 53.050 -0.002 0.000 0.862 45 N CB -0.249 38.246 38.487 0.013 0.000 1.066 45 N HN 0.272 nan 8.380 nan 0.000 0.468 46 L N 1.966 123.187 121.223 -0.004 0.000 2.381 46 L HA 0.508 4.848 4.340 0.001 0.000 0.268 46 L C 0.245 177.092 176.870 -0.037 0.000 0.997 46 L CA -0.711 54.107 54.840 -0.036 0.000 0.818 46 L CB 2.013 44.041 42.059 -0.051 0.000 1.310 46 L HN 0.457 nan 8.230 nan 0.000 0.416 47 N N 2.037 120.668 118.700 -0.114 0.000 2.425 47 N HA 0.407 5.147 4.740 0.001 0.000 0.289 47 N C -2.931 172.365 175.510 -0.357 0.000 1.074 47 N CA -1.239 51.685 53.050 -0.209 0.000 0.905 47 N CB 3.257 41.544 38.487 -0.334 0.000 1.586 47 N HN 0.207 nan 8.380 nan 0.000 0.490 48 P HA 0.057 nan 4.420 nan 0.000 0.271 48 P C -0.500 176.691 177.300 -0.182 0.000 1.233 48 P CA 0.088 63.008 63.100 -0.300 0.000 0.789 48 P CB 0.316 31.733 31.700 -0.470 0.000 0.951 49 T N 3.097 117.634 114.554 -0.028 0.000 2.829 49 T HA 0.140 4.490 4.350 0.001 0.000 0.293 49 T C -2.118 172.612 174.700 0.050 0.000 0.970 49 T CA -0.551 61.559 62.100 0.015 0.000 1.168 49 T CB -0.770 68.131 68.868 0.054 0.000 0.911 49 T HN 0.298 nan 8.240 nan 0.000 0.535 50 P HA 0.074 nan 4.420 nan 0.000 0.266 50 P C 0.859 178.168 177.300 0.015 0.000 1.195 50 P CA -0.120 63.024 63.100 0.073 0.000 0.768 50 P CB 0.646 32.372 31.700 0.044 0.000 0.838 51 E N 3.321 123.478 120.200 -0.072 0.000 2.023 51 E HA -0.172 4.179 4.350 0.001 0.000 0.196 51 E C 0.038 176.566 176.600 -0.119 0.000 1.003 51 E CA 1.774 58.039 56.400 -0.224 0.000 0.809 51 E CB -0.141 29.164 29.700 -0.658 0.000 0.755 51 E HN 0.406 nan 8.360 nan 0.000 0.449 52 N N 0.141 118.786 118.700 -0.092 0.000 2.399 52 N HA 0.329 5.070 4.740 0.001 0.000 0.280 52 N C -1.290 174.210 175.510 -0.017 0.000 1.008 52 N CA -0.397 52.632 53.050 -0.035 0.000 0.894 52 N CB 1.993 40.475 38.487 -0.010 0.000 1.273 52 N HN 0.125 nan 8.380 nan 0.000 0.486 53 L N 1.379 122.601 121.223 -0.003 0.000 2.470 53 L HA 0.444 4.785 4.340 0.001 0.000 0.268 53 L C -1.153 175.725 176.870 0.012 0.000 0.964 53 L CA -0.495 54.351 54.840 0.010 0.000 0.839 53 L CB 1.820 43.886 42.059 0.012 0.000 1.276 53 L HN 0.432 nan 8.230 nan 0.000 0.403 54 E N 3.757 123.968 120.200 0.019 0.000 2.222 54 E HA 0.439 4.790 4.350 0.001 0.000 0.267 54 E C -1.153 175.462 176.600 0.026 0.000 0.884 54 E CA -0.865 55.547 56.400 0.020 0.000 0.764 54 E CB 2.886 32.599 29.700 0.021 0.000 1.169 54 E HN 0.288 nan 8.360 nan 0.000 0.413 55 V N 3.228 123.155 119.914 0.022 0.000 2.455 55 V HA 0.029 4.150 4.120 0.001 0.000 0.273 55 V C 0.886 176.999 176.094 0.032 0.000 1.045 55 V CA -0.037 62.278 62.300 0.026 0.000 0.976 55 V CB 0.897 32.731 31.823 0.018 0.000 0.993 55 V HN 0.716 nan 8.190 nan 0.000 0.475 56 V N 1.984 121.924 119.914 0.043 0.000 3.528 56 V HA 0.778 4.899 4.120 0.001 0.000 0.294 56 V C 0.597 176.723 176.094 0.054 0.000 1.404 56 V CA 0.693 63.020 62.300 0.046 0.000 1.065 56 V CB 0.027 31.880 31.823 0.051 0.000 0.904 56 V HN 0.905 nan 8.190 nan 0.000 0.435 57 G N -0.737 108.099 108.800 0.060 0.000 2.550 57 G HA2 0.386 4.347 3.960 0.001 0.000 0.293 57 G HA3 0.386 4.347 3.960 0.001 0.000 0.293 57 G C -0.898 174.040 174.900 0.063 0.000 1.402 57 G CA 0.156 45.297 45.100 0.068 0.000 0.784 57 G HN -0.101 nan 8.290 nan 0.000 0.482 58 D N -0.278 120.163 120.400 0.068 0.000 2.348 58 D HA 0.326 4.967 4.640 0.001 0.000 0.216 58 D C 1.475 177.812 176.300 0.062 0.000 0.970 58 D CA 1.930 55.964 54.000 0.056 0.000 0.889 58 D CB 0.151 40.982 40.800 0.052 0.000 0.912 58 D HN 1.328 nan 8.370 nan 0.000 0.524 59 G N 0.316 109.177 108.800 0.103 0.000 2.662 59 G HA2 0.066 4.026 3.960 0.001 0.000 0.686 59 G HA3 0.066 4.026 3.960 0.001 0.000 0.686 59 G C -0.627 174.379 174.900 0.177 0.000 1.271 59 G CA -0.504 44.639 45.100 0.072 0.000 0.816 59 G HN 0.233 nan 8.290 nan 0.000 0.608 60 F N -1.765 118.200 119.950 0.025 0.000 2.711 60 F HA 0.890 5.418 4.527 0.001 0.000 0.313 60 F C -0.579 175.238 175.800 0.028 0.000 1.141 60 F CA -1.445 56.571 58.000 0.026 0.000 0.941 60 F CB 1.857 40.876 39.000 0.030 0.000 1.349 60 F HN 0.609 nan 8.300 nan 0.000 0.464 61 K N 2.470 123.025 120.400 0.257 0.000 2.213 61 K HA 0.546 4.867 4.320 0.001 0.000 0.270 61 K C -0.844 175.908 176.600 0.255 0.000 1.002 61 K CA -0.613 55.751 56.287 0.128 0.000 0.868 61 K CB 1.031 33.589 32.500 0.098 0.000 1.093 61 K HN 0.767 nan 8.250 nan 0.000 0.454 62 I N 4.248 124.907 120.570 0.148 0.000 2.618 62 I HA -0.061 4.110 4.170 0.001 0.000 0.284 62 I C 1.140 177.347 176.117 0.150 0.000 1.146 62 I CA 0.010 61.441 61.300 0.218 0.000 1.425 62 I CB 0.859 38.967 38.000 0.179 0.000 1.383 62 I HN 0.727 nan 8.210 nan 0.000 0.562 63 T N 1.676 116.319 114.554 0.148 0.000 2.748 63 T HA 0.060 4.411 4.350 0.001 0.000 0.304 63 T C 1.197 175.938 174.700 0.067 0.000 1.041 63 T CA -0.698 61.456 62.100 0.091 0.000 1.033 63 T CB 0.886 69.798 68.868 0.074 0.000 0.995 63 T HN 0.584 nan 8.240 nan 0.000 0.536 64 S N 0.535 116.261 115.700 0.043 0.000 2.402 64 S HA 0.043 4.513 4.470 0.001 0.000 0.229 64 S C 0.835 175.451 174.600 0.027 0.000 1.021 64 S CA 0.533 58.749 58.200 0.026 0.000 0.974 64 S CB -0.211 62.998 63.200 0.015 0.000 0.800 64 S HN 0.802 nan 8.310 nan 0.000 0.484 65 S N 0.775 116.495 115.700 0.032 0.000 2.566 65 S HA 0.739 5.209 4.470 0.001 0.000 0.298 65 S C -0.371 174.256 174.600 0.045 0.000 1.083 65 S CA -0.995 57.224 58.200 0.032 0.000 0.978 65 S CB 1.854 65.067 63.200 0.021 0.000 1.073 65 S HN 0.422 nan 8.310 nan 0.000 0.491 66 I N -0.855 119.743 120.570 0.047 0.000 2.846 66 I HA 0.625 4.796 4.170 0.001 0.000 0.307 66 I C -0.927 175.209 176.117 0.030 0.000 1.053 66 I CA -1.049 60.282 61.300 0.051 0.000 1.050 66 I CB 1.423 39.467 38.000 0.074 0.000 1.239 66 I HN 0.317 nan 8.210 nan 0.000 0.439 67 N N 3.821 122.536 118.700 0.024 0.000 2.488 67 N HA 0.414 5.154 4.740 0.001 0.000 0.274 67 N C -1.124 174.389 175.510 0.004 0.000 1.111 67 N CA -0.269 52.788 53.050 0.011 0.000 0.974 67 N CB 2.012 40.502 38.487 0.006 0.000 1.089 67 N HN 0.526 nan 8.380 nan 0.000 0.465 68 L N 2.894 124.116 121.223 -0.002 0.000 2.325 68 L HA 0.499 4.839 4.340 0.001 0.000 0.281 68 L C -1.145 175.717 176.870 -0.014 0.000 1.004 68 L CA -0.654 54.178 54.840 -0.013 0.000 0.823 68 L CB 1.582 43.634 42.059 -0.011 0.000 1.236 68 L HN 0.201 nan 8.230 nan 0.000 0.415 69 V N 4.508 124.409 119.914 -0.021 0.000 2.656 69 V HA 0.743 4.864 4.120 0.001 0.000 0.307 69 V C 0.758 176.841 176.094 -0.018 0.000 1.051 69 V CA 0.161 62.452 62.300 -0.015 0.000 0.893 69 V CB 1.298 33.114 31.823 -0.012 0.000 0.999 69 V HN 0.920 nan 8.190 nan 0.000 0.426 70 G N 3.097 111.890 108.800 -0.012 0.000 2.175 70 G HA2 -0.220 3.741 3.960 0.001 0.000 0.244 70 G HA3 -0.220 3.741 3.960 0.001 0.000 0.244 70 G C 0.844 175.738 174.900 -0.010 0.000 0.982 70 G CA 0.404 45.498 45.100 -0.010 0.000 0.641 70 G HN 0.873 nan 8.290 nan 0.000 0.527 71 E N 1.060 121.253 120.200 -0.012 0.000 2.333 71 E HA -0.059 4.292 4.350 0.001 0.000 0.198 71 E C 1.648 178.246 176.600 -0.004 0.000 1.007 71 E CA 1.726 58.120 56.400 -0.010 0.000 0.845 71 E CB -0.153 29.540 29.700 -0.011 0.000 0.766 71 E HN 0.492 nan 8.360 nan 0.000 0.507 72 E N 0.876 121.074 120.200 -0.002 0.000 2.170 72 E HA -0.004 4.346 4.350 0.001 0.000 0.191 72 E C 1.747 178.348 176.600 0.001 0.000 0.981 72 E CA 0.924 57.324 56.400 -0.000 0.000 0.830 72 E CB 0.129 29.829 29.700 0.000 0.000 0.775 72 E HN 0.407 nan 8.360 nan 0.000 0.470 73 E N -0.061 120.139 120.200 0.001 0.000 2.318 73 E HA 0.150 4.501 4.350 0.001 0.000 0.193 73 E C 0.321 176.925 176.600 0.005 0.000 0.998 73 E CA 0.140 56.542 56.400 0.004 0.000 0.859 73 E CB 0.323 30.026 29.700 0.005 0.000 0.812 73 E HN 0.121 nan 8.360 nan 0.000 0.492 74 A N 1.907 124.729 122.820 0.003 0.000 2.425 74 A HA -0.009 4.311 4.320 0.001 0.000 0.242 74 A C -0.182 177.408 177.584 0.009 0.000 1.077 74 A CA -0.295 51.746 52.037 0.006 0.000 0.781 74 A CB 0.163 19.162 19.000 -0.002 0.000 1.020 74 A HN 0.103 nan 8.150 nan 0.000 0.494 75 D N 0.241 120.650 120.400 0.015 0.000 2.581 75 D HA -0.061 4.580 4.640 0.001 0.000 0.238 75 D C 1.143 177.457 176.300 0.024 0.000 1.145 75 D CA 1.045 55.055 54.000 0.017 0.000 0.866 75 D CB 0.452 41.266 40.800 0.023 0.000 1.151 75 D HN 0.659 nan 8.370 nan 0.000 0.500 76 E N 2.837 123.046 120.200 0.015 0.000 2.153 76 E HA -0.260 4.091 4.350 0.001 0.000 0.194 76 E C 1.025 177.649 176.600 0.040 0.000 0.988 76 E CA 1.386 57.797 56.400 0.019 0.000 0.811 76 E CB 0.090 29.794 29.700 0.006 0.000 0.746 76 E HN 0.673 nan 8.360 nan 0.000 0.466 77 N N 0.224 118.950 118.700 0.044 0.000 2.216 77 N HA -0.098 4.643 4.740 0.001 0.000 0.183 77 N C 1.831 177.511 175.510 0.284 0.000 1.017 77 N CA 0.942 54.053 53.050 0.102 0.000 0.861 77 N CB -0.147 38.312 38.487 -0.047 0.000 0.986 77 N HN 0.160 nan 8.380 nan 0.000 0.428 78 A N 0.893 123.866 122.820 0.256 0.000 1.877 78 A HA -0.104 4.217 4.320 0.001 0.000 0.216 78 A C 2.378 179.994 177.584 0.053 0.000 1.186 78 A CA 1.254 53.400 52.037 0.182 0.000 0.620 78 A CB -0.893 18.161 19.000 0.091 0.000 0.822 78 A HN 0.108 nan 8.150 nan 0.000 0.443 79 V N 0.909 120.849 119.914 0.043 0.000 2.343 79 V HA -0.261 3.860 4.120 0.001 0.000 0.247 79 V C 2.335 178.449 176.094 0.034 0.000 1.051 79 V CA 2.159 64.470 62.300 0.017 0.000 1.036 79 V CB -1.047 30.782 31.823 0.011 0.000 0.654 79 V HN 0.544 nan 8.190 nan 0.000 0.451 80 N N 0.722 119.457 118.700 0.057 0.000 2.069 80 N HA -0.149 4.592 4.740 0.001 0.000 0.191 80 N C 1.896 177.449 175.510 0.073 0.000 1.031 80 N CA 1.817 54.905 53.050 0.063 0.000 0.852 80 N CB -0.654 37.876 38.487 0.071 0.000 1.018 80 N HN 0.487 nan 8.380 nan 0.000 0.423 81 A N 0.818 123.689 122.820 0.085 0.000 1.902 81 A HA -0.100 4.221 4.320 0.001 0.000 0.217 81 A C 2.241 179.853 177.584 0.047 0.000 1.181 81 A CA 1.072 53.136 52.037 0.045 0.000 0.623 81 A CB -0.778 18.172 19.000 -0.083 0.000 0.818 81 A HN 0.256 nan 8.150 nan 0.000 0.443 82 L N -0.145 121.093 121.223 0.025 0.000 2.017 82 L HA -0.153 4.188 4.340 0.001 0.000 0.208 82 L C 2.467 179.424 176.870 0.146 0.000 1.073 82 L CA 2.068 56.952 54.840 0.073 0.000 0.745 82 L CB -0.618 41.428 42.059 -0.022 0.000 0.894 82 L HN 0.356 nan 8.230 nan 0.000 0.432 83 R N -0.386 120.165 120.500 0.086 0.000 2.083 83 R HA -0.191 4.150 4.340 0.001 0.000 0.237 83 R C 2.172 178.524 176.300 0.085 0.000 1.137 83 R CA 2.000 58.146 56.100 0.075 0.000 0.951 83 R CB -0.459 29.868 30.300 0.045 0.000 0.851 83 R HN 0.546 nan 8.270 nan 0.000 0.434 84 E N -0.253 120.002 120.200 0.091 0.000 2.118 84 E HA -0.226 4.125 4.350 0.001 0.000 0.195 84 E C 1.746 178.406 176.600 0.099 0.000 0.992 84 E CA 1.232 57.678 56.400 0.077 0.000 0.804 84 E CB -0.201 29.544 29.700 0.075 0.000 0.741 84 E HN 0.261 nan 8.360 nan 0.000 0.458 85 F N 1.269 121.228 119.950 0.016 0.000 2.146 85 F HA -0.194 4.334 4.527 0.001 0.000 0.298 85 F C 1.909 177.730 175.800 0.034 0.000 1.096 85 F CA 0.892 58.904 58.000 0.020 0.000 1.275 85 F CB -0.078 38.950 39.000 0.045 0.000 1.008 85 F HN -0.056 nan 8.300 nan 0.000 0.480 86 L N 0.495 121.766 121.223 0.081 0.000 2.012 86 L HA -0.219 4.122 4.340 0.001 0.000 0.210 86 L C 2.551 179.357 176.870 -0.107 0.000 1.073 86 L CA 2.337 57.167 54.840 -0.015 0.000 0.748 86 L CB -1.764 40.353 42.059 0.097 0.000 0.891 86 L HN 0.183 nan 8.230 nan 0.000 0.431 87 T N -0.441 114.079 114.554 -0.057 0.000 2.708 87 T HA -0.174 4.177 4.350 0.001 0.000 0.266 87 T C 1.882 176.518 174.700 -0.106 0.000 1.037 87 T CA 1.341 63.405 62.100 -0.060 0.000 1.146 87 T CB -0.362 68.490 68.868 -0.026 0.000 0.865 87 T HN 0.423 nan 8.240 nan 0.000 0.435 88 A N 1.938 124.673 122.820 -0.142 0.000 2.019 88 A HA -0.057 4.264 4.320 0.001 0.000 0.219 88 A C 1.889 179.336 177.584 -0.230 0.000 1.164 88 A CA 1.083 53.022 52.037 -0.163 0.000 0.644 88 A CB -0.274 18.639 19.000 -0.144 0.000 0.805 88 A HN 0.462 nan 8.150 nan 0.000 0.449 89 N N 0.543 119.037 118.700 -0.344 0.000 2.238 89 N HA 0.022 4.763 4.740 0.001 0.000 0.222 89 N C -0.795 174.595 175.510 -0.200 0.000 1.133 89 N CA -0.026 52.824 53.050 -0.333 0.000 0.854 89 N CB 0.122 38.263 38.487 -0.577 0.000 1.041 89 N HN 0.399 nan 8.380 nan 0.000 0.510 90 N N 0.953 119.567 118.700 -0.143 0.000 2.725 90 N HA -0.190 4.551 4.740 0.001 0.000 0.251 90 N C -0.750 174.723 175.510 -0.062 0.000 1.031 90 N CA 0.766 53.766 53.050 -0.084 0.000 0.720 90 N CB -1.418 37.029 38.487 -0.067 0.000 0.930 90 N HN 0.432 nan 8.380 nan 0.000 0.543 91 I N 0.812 121.347 120.570 -0.059 0.000 2.382 91 I HA 0.177 4.348 4.170 0.001 0.000 0.286 91 I C 0.647 176.765 176.117 0.002 0.000 1.002 91 I CA -0.478 60.813 61.300 -0.014 0.000 1.135 91 I CB 1.349 39.355 38.000 0.010 0.000 1.288 91 I HN -0.029 nan 8.210 nan 0.000 0.448 92 E N 5.762 125.967 120.200 0.008 0.000 2.318 92 E HA 0.483 4.834 4.350 0.001 0.000 0.265 92 E C -0.757 175.854 176.600 0.020 0.000 1.069 92 E CA -0.625 55.781 56.400 0.009 0.000 0.893 92 E CB 1.778 31.481 29.700 0.005 0.000 1.076 92 E HN 0.423 nan 8.360 nan 0.000 0.414 93 I N 2.791 123.371 120.570 0.016 0.000 2.321 93 I HA 0.126 4.297 4.170 0.001 0.000 0.291 93 I C -0.012 176.112 176.117 0.012 0.000 0.998 93 I CA -0.767 60.543 61.300 0.017 0.000 1.227 93 I CB 0.742 38.751 38.000 0.014 0.000 1.368 93 I HN 0.333 nan 8.210 nan 0.000 0.466 94 N N 3.673 122.381 118.700 0.012 0.000 2.407 94 N HA -0.010 4.731 4.740 0.001 0.000 0.250 94 N C 1.056 176.569 175.510 0.006 0.000 1.236 94 N CA 0.218 53.273 53.050 0.009 0.000 0.879 94 N CB 0.853 39.345 38.487 0.009 0.000 1.088 94 N HN 0.554 nan 8.380 nan 0.000 0.450 95 S N 0.863 116.566 115.700 0.004 0.000 2.356 95 S HA -0.138 4.333 4.470 0.001 0.000 0.223 95 S C 0.683 175.284 174.600 0.002 0.000 1.032 95 S CA 1.248 59.450 58.200 0.002 0.000 1.005 95 S CB -0.107 63.094 63.200 0.002 0.000 0.867 95 S HN 0.801 nan 8.310 nan 0.000 0.449 96 E N 0.485 120.686 120.200 0.002 0.000 2.433 96 E HA 0.414 4.765 4.350 0.001 0.000 0.273 96 E C -1.170 175.431 176.600 0.001 0.000 0.950 96 E CA -1.067 55.334 56.400 0.001 0.000 0.796 96 E CB 0.504 30.204 29.700 0.000 0.000 1.330 96 E HN -0.039 nan 8.360 nan 0.000 0.455 97 N N 0.887 119.587 118.700 0.000 0.000 2.357 97 N HA -0.038 4.703 4.740 0.001 0.000 0.257 97 N C -1.280 174.230 175.510 -0.000 0.000 1.250 97 N CA 0.693 53.742 53.050 -0.000 0.000 0.862 97 N CB 0.480 38.965 38.487 -0.002 0.000 1.066 97 N HN 0.490 nan 8.380 nan 0.000 0.468 98 D N 3.552 123.952 120.400 0.001 0.000 2.471 98 D HA 0.308 4.949 4.640 0.001 0.000 0.245 98 D C -2.109 174.190 176.300 -0.002 0.000 1.116 98 D CA -2.081 51.919 54.000 0.000 0.000 0.853 98 D CB 1.704 42.507 40.800 0.004 0.000 1.123 98 D HN 0.307 nan 8.370 nan 0.000 0.540 99 P HA -0.044 nan 4.420 nan 0.000 0.221 99 P C 0.701 177.993 177.300 -0.013 0.000 1.145 99 P CA 0.738 63.831 63.100 -0.011 0.000 0.795 99 P CB 0.403 32.097 31.700 -0.011 0.000 0.775 100 N N -1.560 117.136 118.700 -0.007 0.000 2.353 100 N HA 0.055 4.796 4.740 0.001 0.000 0.185 100 N C 0.252 175.763 175.510 0.001 0.000 1.098 100 N CA 0.418 53.465 53.050 -0.006 0.000 0.872 100 N CB 0.066 38.552 38.487 -0.001 0.000 0.970 100 N HN 0.091 nan 8.380 nan 0.000 0.467 101 S N 0.353 116.057 115.700 0.006 0.000 2.610 101 S HA 0.239 4.710 4.470 0.001 0.000 0.273 101 S C 0.378 174.989 174.600 0.018 0.000 1.274 101 S CA -0.462 57.750 58.200 0.020 0.000 1.023 101 S CB 1.461 64.675 63.200 0.023 0.000 0.962 101 S HN 0.074 nan 8.310 nan 0.000 0.523 102 T N 3.334 117.918 114.554 0.051 0.000 2.934 102 T HA 0.153 4.504 4.350 0.001 0.000 0.306 102 T C 0.224 174.957 174.700 0.056 0.000 1.042 102 T CA 0.199 62.342 62.100 0.071 0.000 1.145 102 T CB 0.095 69.084 68.868 0.201 0.000 0.982 102 T HN 0.542 nan 8.240 nan 0.000 0.544 103 T N 3.880 118.454 114.554 0.034 0.000 2.794 103 T HA 0.537 4.888 4.350 0.001 0.000 0.280 103 T C -0.349 174.369 174.700 0.029 0.000 0.987 103 T CA -0.653 61.459 62.100 0.021 0.000 0.993 103 T CB 0.916 69.782 68.868 -0.002 0.000 0.939 103 T HN 0.435 nan 8.240 nan 0.000 0.449 104 L N 4.265 125.487 121.223 -0.002 0.000 2.325 104 L HA 0.651 4.991 4.340 0.001 0.000 0.281 104 L C -1.504 175.330 176.870 -0.061 0.000 1.004 104 L CA -0.904 53.902 54.840 -0.057 0.000 0.823 104 L CB 0.640 42.616 42.059 -0.138 0.000 1.236 104 L HN 0.562 nan 8.230 nan 0.000 0.415 105 I N 5.999 126.537 120.570 -0.054 0.000 2.493 105 I HA 0.548 4.718 4.170 0.001 0.000 0.298 105 I C -0.491 175.594 176.117 -0.054 0.000 0.998 105 I CA -0.246 61.030 61.300 -0.040 0.000 1.137 105 I CB 1.897 39.888 38.000 -0.015 0.000 1.310 105 I HN 0.487 nan 8.210 nan 0.000 0.445 106 I N 3.753 124.297 120.570 -0.044 0.000 2.752 106 I HA 0.872 5.043 4.170 0.001 0.000 0.295 106 I C -0.539 175.568 176.117 -0.017 0.000 1.219 106 I CA 0.148 61.421 61.300 -0.045 0.000 1.030 106 I CB 1.931 39.883 38.000 -0.080 0.000 1.259 106 I HN 0.733 nan 8.210 nan 0.000 0.423 107 G N 4.931 113.731 108.800 -0.000 0.000 2.315 107 G HA2 0.328 4.288 3.960 0.001 0.000 0.294 107 G HA3 0.328 4.288 3.960 0.001 0.000 0.294 107 G C -2.098 172.821 174.900 0.031 0.000 1.300 107 G CA -0.761 44.347 45.100 0.012 0.000 0.843 107 G HN 0.550 nan 8.290 nan 0.000 0.527 108 E N -0.799 119.420 120.200 0.032 0.000 2.222 108 E HA 0.555 4.906 4.350 0.001 0.000 0.272 108 E C 1.336 177.960 176.600 0.040 0.000 0.982 108 E CA -0.654 55.773 56.400 0.044 0.000 0.842 108 E CB 2.121 31.844 29.700 0.038 0.000 1.144 108 E HN 0.266 nan 8.360 nan 0.000 0.397 109 V N 1.736 121.678 119.914 0.046 0.000 2.370 109 V HA -0.313 3.808 4.120 0.001 0.000 0.252 109 V C 1.080 177.190 176.094 0.027 0.000 1.068 109 V CA 2.117 64.440 62.300 0.037 0.000 1.061 109 V CB -0.419 31.427 31.823 0.038 0.000 0.656 109 V HN 0.655 nan 8.190 nan 0.000 0.455 110 D N -0.342 120.073 120.400 0.026 0.000 2.117 110 D HA -0.075 4.566 4.640 0.001 0.000 0.197 110 D C 0.819 177.129 176.300 0.017 0.000 0.987 110 D CA 0.862 54.874 54.000 0.020 0.000 0.829 110 D CB -0.369 40.443 40.800 0.020 0.000 0.961 110 D HN 0.478 nan 8.370 nan 0.000 0.460 111 D N 0.920 121.331 120.400 0.017 0.000 2.378 111 D HA -0.039 4.602 4.640 0.001 0.000 0.238 111 D C 0.223 176.530 176.300 0.012 0.000 1.180 111 D CA 0.268 54.276 54.000 0.014 0.000 0.895 111 D CB 0.500 41.308 40.800 0.013 0.000 1.192 111 D HN 0.014 nan 8.370 nan 0.000 0.438 112 D N 1.513 121.919 120.400 0.009 0.000 2.468 112 D HA 0.196 4.836 4.640 0.001 0.000 0.218 112 D C -0.649 175.655 176.300 0.007 0.000 1.155 112 D CA -0.353 53.651 54.000 0.008 0.000 0.924 112 D CB -0.334 40.470 40.800 0.006 0.000 1.029 112 D HN 0.269 nan 8.370 nan 0.000 0.515 113 I N 4.915 125.490 120.570 0.008 0.000 2.649 113 I HA 0.167 4.338 4.170 0.001 0.000 0.275 113 I C -1.934 174.187 176.117 0.007 0.000 1.153 113 I CA -1.805 59.499 61.300 0.006 0.000 1.069 113 I CB 2.021 40.025 38.000 0.006 0.000 1.227 113 I HN 0.020 nan 8.210 nan 0.000 0.505 114 P HA -0.096 nan 4.420 nan 0.000 0.222 114 P C 1.047 178.350 177.300 0.005 0.000 1.147 114 P CA 1.203 64.306 63.100 0.006 0.000 0.790 114 P CB 0.369 32.071 31.700 0.004 0.000 0.780 115 E N -0.841 119.361 120.200 0.003 0.000 2.150 115 E HA -0.126 4.224 4.350 0.001 0.000 0.193 115 E C 1.763 178.366 176.600 0.005 0.000 0.985 115 E CA 0.538 56.939 56.400 0.002 0.000 0.814 115 E CB -0.914 28.786 29.700 -0.001 0.000 0.752 115 E HN 0.127 nan 8.360 nan 0.000 0.466 116 L N 1.131 122.358 121.223 0.008 0.000 2.005 116 L HA -0.143 4.198 4.340 0.001 0.000 0.207 116 L C 1.260 178.140 176.870 0.018 0.000 1.072 116 L CA 1.963 56.811 54.840 0.013 0.000 0.744 116 L CB -0.510 41.557 42.059 0.015 0.000 0.895 116 L HN -0.030 nan 8.230 nan 0.000 0.433 117 D N -0.724 119.685 120.400 0.016 0.000 2.178 117 D HA -0.195 4.446 4.640 0.001 0.000 0.201 117 D C 2.100 178.409 176.300 0.015 0.000 0.980 117 D CA 1.125 55.136 54.000 0.017 0.000 0.842 117 D CB 0.093 40.902 40.800 0.015 0.000 0.948 117 D HN 0.440 nan 8.370 nan 0.000 0.472 118 E N 0.644 120.850 120.200 0.011 0.000 2.072 118 E HA -0.071 4.280 4.350 0.001 0.000 0.191 118 E C 1.862 178.468 176.600 0.010 0.000 0.985 118 E CA 1.405 57.810 56.400 0.008 0.000 0.801 118 E CB -0.261 29.441 29.700 0.004 0.000 0.750 118 E HN 0.150 nan 8.360 nan 0.000 0.452 119 A N 0.143 122.970 122.820 0.012 0.000 1.968 119 A HA -0.034 4.287 4.320 0.001 0.000 0.217 119 A C 2.203 179.804 177.584 0.029 0.000 1.169 119 A CA 0.977 53.025 52.037 0.017 0.000 0.638 119 A CB -0.521 18.490 19.000 0.018 0.000 0.812 119 A HN 0.335 nan 8.150 nan 0.000 0.446 120 L N -1.270 119.971 121.223 0.030 0.000 2.217 120 L HA -0.088 4.252 4.340 0.001 0.000 0.211 120 L C 0.940 177.829 176.870 0.033 0.000 1.107 120 L CA 0.697 55.560 54.840 0.038 0.000 0.783 120 L CB -0.460 41.623 42.059 0.040 0.000 0.919 120 L HN 0.524 nan 8.230 nan 0.000 0.442 121 N N 0.306 119.021 118.700 0.025 0.000 2.714 121 N HA -0.216 4.524 4.740 0.001 0.000 0.253 121 N C 0.685 176.207 175.510 0.021 0.000 1.024 121 N CA 0.976 54.038 53.050 0.021 0.000 0.726 121 N CB -1.031 37.468 38.487 0.021 0.000 0.908 121 N HN 0.587 nan 8.380 nan 0.000 0.542 122 G N -2.577 106.236 108.800 0.020 0.000 2.254 122 G HA2 -0.269 3.692 3.960 0.001 0.000 0.225 122 G HA3 -0.269 3.692 3.960 0.001 0.000 0.225 122 G C 0.318 175.231 174.900 0.021 0.000 1.003 122 G CA 0.293 45.404 45.100 0.019 0.000 0.622 122 G HN 0.685 nan 8.290 nan 0.000 0.507 123 T N 1.503 116.074 114.554 0.027 0.000 2.901 123 T HA 0.526 4.877 4.350 0.001 0.000 0.301 123 T C 0.127 174.847 174.700 0.034 0.000 1.012 123 T CA 1.312 63.431 62.100 0.031 0.000 1.135 123 T CB 1.663 70.555 68.868 0.040 0.000 0.936 123 T HN 0.722 nan 8.240 nan 0.000 0.539 124 T N 0.217 114.790 114.554 0.031 0.000 2.889 124 T HA 0.568 4.919 4.350 0.001 0.000 0.315 124 T C 0.339 175.058 174.700 0.033 0.000 1.291 124 T CA -0.203 61.916 62.100 0.033 0.000 1.028 124 T CB 1.145 70.027 68.868 0.023 0.000 1.235 124 T HN 0.505 nan 8.240 nan 0.000 0.491 125 A N 2.042 124.888 122.820 0.044 0.000 2.308 125 A HA 0.296 4.616 4.320 0.001 0.000 0.217 125 A C 1.657 179.256 177.584 0.025 0.000 1.216 125 A CA 1.012 53.077 52.037 0.048 0.000 0.864 125 A CB -0.476 18.581 19.000 0.094 0.000 0.902 125 A HN 0.889 nan 8.150 nan 0.000 0.499 126 E N 1.834 122.044 120.200 0.018 0.000 2.114 126 E HA -0.209 4.142 4.350 0.001 0.000 0.199 126 E C 1.057 177.650 176.600 -0.013 0.000 1.008 126 E CA 2.006 58.410 56.400 0.007 0.000 0.810 126 E CB -0.201 29.503 29.700 0.007 0.000 0.739 126 E HN 0.572 nan 8.360 nan 0.000 0.456 127 N N -0.052 118.631 118.700 -0.029 0.000 2.322 127 N HA 0.086 4.827 4.740 0.001 0.000 0.194 127 N C -0.213 175.232 175.510 -0.109 0.000 1.126 127 N CA 0.109 53.125 53.050 -0.058 0.000 0.845 127 N CB 0.381 38.835 38.487 -0.054 0.000 0.976 127 N HN 0.216 nan 8.380 nan 0.000 0.475 128 L N 1.255 122.415 121.223 -0.105 0.000 2.439 128 L HA 0.251 4.592 4.340 0.001 0.000 0.259 128 L C 0.998 177.764 176.870 -0.172 0.000 1.129 128 L CA -0.846 53.876 54.840 -0.197 0.000 0.803 128 L CB 0.706 42.707 42.059 -0.097 0.000 1.161 128 L HN 0.033 nan 8.230 nan 0.000 0.462 129 K N 0.338 120.581 120.400 -0.261 0.000 2.136 129 K HA 0.221 4.542 4.320 0.001 0.000 0.237 129 K C -0.408 176.173 176.600 -0.032 0.000 1.048 129 K CA -0.726 55.475 56.287 -0.143 0.000 0.880 129 K CB 0.312 32.709 32.500 -0.172 0.000 1.105 129 K HN 0.376 nan 8.250 nan 0.000 0.507 130 E N 1.042 121.246 120.200 0.005 0.000 2.481 130 E HA -0.143 4.207 4.350 0.001 0.000 0.263 130 E C -0.462 176.214 176.600 0.126 0.000 0.992 130 E CA 0.595 57.034 56.400 0.065 0.000 0.938 130 E CB 0.086 29.824 29.700 0.062 0.000 0.933 130 E HN 0.707 nan 8.360 nan 0.000 0.453 131 E N -0.973 119.355 120.200 0.214 0.000 3.916 131 E HA -0.197 4.153 4.350 0.001 0.000 0.331 131 E C 0.547 177.458 176.600 0.518 0.000 0.729 131 E CA 0.519 57.166 56.400 0.412 0.000 1.222 131 E CB -1.655 28.357 29.700 0.520 0.000 1.633 131 E HN 0.674 nan 8.360 nan 0.000 0.437 132 G N 0.449 109.446 108.800 0.329 0.000 2.569 132 G HA2 0.405 4.366 3.960 0.001 0.000 0.249 132 G HA3 0.405 4.366 3.960 0.001 0.000 0.249 132 G C -0.310 174.845 174.900 0.425 0.000 1.216 132 G CA 0.384 45.688 45.100 0.339 0.000 0.845 132 G HN 0.281 nan 8.290 nan 0.000 0.568 133 Y N -2.188 118.275 120.300 0.271 0.000 2.624 133 Y HA 0.727 5.278 4.550 0.002 0.000 0.334 133 Y C -0.341 175.660 175.900 0.169 0.000 1.155 133 Y CA -1.542 56.676 58.100 0.197 0.000 1.046 133 Y CB 0.940 39.521 38.460 0.202 0.000 1.316 133 Y HN 0.812 nan 8.280 nan 0.000 0.457 134 A N 2.961 125.894 122.820 0.187 0.000 2.324 134 A HA 0.801 5.122 4.320 0.001 0.000 0.330 134 A C -1.677 176.076 177.584 0.280 0.000 1.165 134 A CA -0.857 51.257 52.037 0.129 0.000 0.813 134 A CB 1.280 20.335 19.000 0.092 0.000 1.197 134 A HN 1.027 nan 8.150 nan 0.000 0.484 135 L N 2.665 124.026 121.223 0.230 0.000 2.436 135 L HA 0.730 5.071 4.340 0.001 0.000 0.268 135 L C -1.707 175.252 176.870 0.148 0.000 0.974 135 L CA -0.597 54.378 54.840 0.225 0.000 0.826 135 L CB 2.117 44.363 42.059 0.310 0.000 1.291 135 L HN 0.454 nan 8.230 nan 0.000 0.406 136 V N 3.091 123.082 119.914 0.128 0.000 2.525 136 V HA 0.519 4.640 4.120 0.001 0.000 0.299 136 V C -0.417 175.764 176.094 0.145 0.000 1.034 136 V CA -0.468 61.902 62.300 0.116 0.000 0.863 136 V CB 2.012 33.888 31.823 0.089 0.000 0.999 136 V HN 0.823 nan 8.190 nan 0.000 0.423 137 S N 4.130 119.932 115.700 0.170 0.000 2.456 137 S HA 0.705 5.176 4.470 0.001 0.000 0.316 137 S C -0.662 174.121 174.600 0.305 0.000 1.089 137 S CA -0.687 57.671 58.200 0.264 0.000 1.101 137 S CB 1.313 64.642 63.200 0.216 0.000 0.995 137 S HN 0.790 nan 8.310 nan 0.000 0.468 138 N N 1.802 120.698 118.700 0.326 0.000 2.554 138 N HA 0.119 4.860 4.740 0.001 0.000 0.271 138 N C -1.616 173.873 175.510 -0.035 0.000 1.081 138 N CA -0.130 53.028 53.050 0.179 0.000 0.994 138 N CB 1.702 40.248 38.487 0.097 0.000 1.641 138 N HN 0.795 nan 8.380 nan 0.000 0.511 139 D N 3.083 123.394 120.400 -0.148 0.000 2.686 139 D HA -0.162 4.479 4.640 0.001 0.000 0.235 139 D C 0.835 176.808 176.300 -0.545 0.000 1.160 139 D CA 2.532 56.349 54.000 -0.305 0.000 0.645 139 D CB -1.208 39.513 40.800 -0.132 0.000 1.039 139 D HN 1.092 nan 8.370 nan 0.000 0.423 140 G N -0.241 107.783 108.800 -1.293 0.000 2.143 140 G HA2 -0.311 3.649 3.960 0.001 0.000 0.249 140 G HA3 -0.311 3.649 3.960 0.001 0.000 0.249 140 G C 0.210 174.835 174.900 -0.459 0.000 0.981 140 G CA 0.547 44.992 45.100 -1.091 0.000 0.665 140 G HN 0.614 nan 8.290 nan 0.000 0.528 141 K N -0.567 119.671 120.400 -0.270 0.000 2.422 141 K HA 0.743 5.064 4.320 0.001 0.000 0.251 141 K C -0.854 175.847 176.600 0.167 0.000 0.933 141 K CA -0.914 55.373 56.287 0.001 0.000 0.798 141 K CB 2.298 34.782 32.500 -0.026 0.000 1.238 141 K HN 0.122 nan 8.250 nan 0.000 0.428 142 I N 1.809 122.467 120.570 0.147 0.000 2.468 142 I HA 0.340 4.510 4.170 0.001 0.000 0.285 142 I C -0.785 175.355 176.117 0.038 0.000 1.039 142 I CA -0.564 60.820 61.300 0.140 0.000 1.074 142 I CB 2.040 40.132 38.000 0.154 0.000 1.228 142 I HN 0.622 nan 8.210 nan 0.000 0.436 143 A N 7.806 130.658 122.820 0.053 0.000 2.288 143 A HA 0.881 5.202 4.320 0.001 0.000 0.320 143 A C -0.626 176.982 177.584 0.039 0.000 1.217 143 A CA -0.389 51.666 52.037 0.030 0.000 0.840 143 A CB 0.510 19.536 19.000 0.044 0.000 1.179 143 A HN 0.676 nan 8.150 nan 0.000 0.504 144 I N 1.975 122.550 120.570 0.008 0.000 2.410 144 I HA 0.348 4.519 4.170 0.001 0.000 0.286 144 I C -0.170 175.980 176.117 0.056 0.000 1.009 144 I CA -0.069 61.252 61.300 0.035 0.000 1.111 144 I CB 1.826 39.792 38.000 -0.057 0.000 1.262 144 I HN 0.788 nan 8.210 nan 0.000 0.443 145 E N 5.295 125.569 120.200 0.122 0.000 2.182 145 E HA 0.511 4.862 4.350 0.001 0.000 0.258 145 E C -0.331 176.374 176.600 0.175 0.000 0.879 145 E CA -0.639 55.829 56.400 0.114 0.000 0.754 145 E CB 1.676 31.431 29.700 0.092 0.000 1.162 145 E HN 0.757 nan 8.360 nan 0.000 0.419 146 G N 3.246 112.133 108.800 0.145 0.000 2.390 146 G HA2 0.013 3.973 3.960 0.001 0.000 0.270 146 G HA3 0.013 3.973 3.960 0.001 0.000 0.270 146 G C 0.659 175.644 174.900 0.142 0.000 1.211 146 G CA -0.342 44.866 45.100 0.180 0.000 0.842 146 G HN 0.559 nan 8.290 nan 0.000 0.519 147 K N 0.736 121.233 120.400 0.162 0.000 2.147 147 K HA -0.062 4.259 4.320 0.001 0.000 0.205 147 K C 0.557 177.208 176.600 0.086 0.000 1.049 147 K CA 1.925 58.275 56.287 0.106 0.000 0.936 147 K CB 0.027 32.586 32.500 0.099 0.000 0.722 147 K HN 0.724 nan 8.250 nan 0.000 0.446 148 D N -4.497 115.964 120.400 0.102 0.000 2.664 148 D HA 0.298 4.939 4.640 0.001 0.000 0.292 148 D C 1.015 177.355 176.300 0.067 0.000 1.214 148 D CA -0.293 53.751 54.000 0.072 0.000 0.932 148 D CB 0.164 41.003 40.800 0.066 0.000 1.420 148 D HN -0.104 nan 8.370 nan 0.000 0.471 149 G N -0.610 108.211 108.800 0.035 0.000 2.442 149 G HA2 -0.256 3.705 3.960 0.001 0.000 0.219 149 G HA3 -0.256 3.705 3.960 0.001 0.000 0.219 149 G C 0.850 175.739 174.900 -0.018 0.000 1.141 149 G CA 0.938 46.046 45.100 0.013 0.000 0.763 149 G HN 0.526 nan 8.290 nan 0.000 0.554 150 D N 0.757 121.129 120.400 -0.047 0.000 2.117 150 D HA -0.088 4.553 4.640 0.001 0.000 0.197 150 D C 2.657 178.860 176.300 -0.161 0.000 0.987 150 D CA 1.321 55.209 54.000 -0.187 0.000 0.829 150 D CB -0.702 40.054 40.800 -0.072 0.000 0.961 150 D HN 0.320 nan 8.370 nan 0.000 0.460 151 G N 0.253 109.119 108.800 0.111 0.000 2.418 151 G HA2 -0.253 3.708 3.960 0.001 0.000 0.217 151 G HA3 -0.253 3.708 3.960 0.001 0.000 0.217 151 G C 1.702 176.719 174.900 0.194 0.000 1.158 151 G CA 1.560 46.843 45.100 0.306 0.000 0.771 151 G HN 0.234 nan 8.290 nan 0.000 0.545 152 T N 0.745 115.360 114.554 0.101 0.000 2.746 152 T HA -0.144 4.206 4.350 0.001 0.000 0.267 152 T C 1.950 176.632 174.700 -0.029 0.000 1.039 152 T CA 1.180 63.302 62.100 0.036 0.000 1.142 152 T CB -0.312 68.578 68.868 0.037 0.000 0.866 152 T HN 0.251 nan 8.240 nan 0.000 0.444 153 F N 0.979 120.813 119.950 -0.194 0.000 2.134 153 F HA -0.142 4.386 4.527 0.001 0.000 0.299 153 F C 2.009 177.683 175.800 -0.209 0.000 1.097 153 F CA 1.115 58.973 58.000 -0.236 0.000 1.264 153 F CB -0.378 38.417 39.000 -0.342 0.000 1.001 153 F HN 0.096 nan 8.300 nan 0.000 0.479 154 Y N 0.622 120.917 120.300 -0.008 0.000 2.224 154 Y HA -0.047 4.504 4.550 0.001 0.000 0.289 154 Y C 2.736 178.173 175.900 -0.772 0.000 1.146 154 Y CA 0.694 58.630 58.100 -0.273 0.000 1.182 154 Y CB -1.608 36.862 38.460 0.017 0.000 0.983 154 Y HN 0.129 nan 8.280 nan 0.000 0.524 155 G N -0.297 108.010 108.800 -0.823 0.000 2.446 155 G HA2 -0.230 3.731 3.960 0.001 0.000 0.217 155 G HA3 -0.230 3.731 3.960 0.001 0.000 0.217 155 G C 1.881 176.530 174.900 -0.418 0.000 1.168 155 G CA 1.560 46.112 45.100 -0.912 0.000 0.771 155 G HN 0.305 nan 8.290 nan 0.000 0.551 156 V N 0.609 120.319 119.914 -0.340 0.000 2.343 156 V HA -0.195 3.926 4.120 0.001 0.000 0.247 156 V C 3.015 178.928 176.094 -0.302 0.000 1.051 156 V CA 1.901 64.041 62.300 -0.266 0.000 1.036 156 V CB -0.442 31.187 31.823 -0.323 0.000 0.654 156 V HN 0.301 nan 8.190 nan 0.000 0.451 157 Q N -0.015 119.526 119.800 -0.430 0.000 2.096 157 Q HA -0.189 4.151 4.340 0.001 0.000 0.204 157 Q C 2.340 178.152 176.000 -0.314 0.000 0.982 157 Q CA 2.299 57.871 55.803 -0.384 0.000 0.850 157 Q CB -1.079 27.450 28.738 -0.349 0.000 0.901 157 Q HN 0.661 nan 8.270 nan 0.000 0.422 158 T N 1.216 115.596 114.554 -0.290 0.000 2.777 158 T HA -0.104 4.246 4.350 0.001 0.000 0.266 158 T C 1.487 176.091 174.700 -0.161 0.000 1.040 158 T CA 1.015 62.999 62.100 -0.194 0.000 1.141 158 T CB -0.457 68.353 68.868 -0.096 0.000 0.868 158 T HN 0.270 nan 8.240 nan 0.000 0.444 159 F N 2.423 122.203 119.950 -0.284 0.000 2.091 159 F HA -0.168 4.359 4.527 0.001 0.000 0.299 159 F C 2.076 177.614 175.800 -0.435 0.000 1.103 159 F CA 1.454 59.281 58.000 -0.288 0.000 1.228 159 F CB -0.278 38.556 39.000 -0.276 0.000 0.984 159 F HN -0.003 nan 8.300 nan 0.000 0.477 160 K N -0.245 119.695 120.400 -0.766 0.000 2.147 160 K HA -0.200 4.121 4.320 0.001 0.000 0.205 160 K C 2.098 178.311 176.600 -0.646 0.000 1.049 160 K CA 1.834 57.399 56.287 -1.205 0.000 0.936 160 K CB -0.281 31.683 32.500 -0.893 0.000 0.722 160 K HN 0.485 nan 8.250 nan 0.000 0.446 161 Q N 0.267 119.824 119.800 -0.406 0.000 2.187 161 Q HA -0.002 4.339 4.340 0.001 0.000 0.199 161 Q C 2.010 177.877 176.000 -0.222 0.000 0.957 161 Q CA 0.698 56.358 55.803 -0.239 0.000 0.857 161 Q CB 0.103 28.736 28.738 -0.176 0.000 0.929 161 Q HN 0.282 nan 8.270 nan 0.000 0.453 162 L N 0.232 121.287 121.223 -0.280 0.000 2.141 162 L HA -0.045 4.296 4.340 0.001 0.000 0.209 162 L C 0.593 177.316 176.870 -0.245 0.000 1.094 162 L CA 0.284 54.988 54.840 -0.226 0.000 0.763 162 L CB 0.126 42.066 42.059 -0.198 0.000 0.908 162 L HN -0.026 nan 8.230 nan 0.000 0.437 163 V N 0.940 120.654 119.914 -0.334 0.000 2.461 163 V HA 0.203 4.324 4.120 0.001 0.000 0.275 163 V C 0.209 176.239 176.094 -0.107 0.000 1.047 163 V CA -0.387 61.767 62.300 -0.242 0.000 0.955 163 V CB 1.252 32.904 31.823 -0.284 0.000 0.988 163 V HN 0.065 nan 8.190 nan 0.000 0.471 164 K N 4.200 124.545 120.400 -0.091 0.000 2.545 164 K HA 0.258 4.578 4.320 0.001 0.000 0.252 164 K C -0.139 176.428 176.600 -0.055 0.000 0.948 164 K CA -0.393 55.859 56.287 -0.059 0.000 0.827 164 K CB 1.319 33.783 32.500 -0.059 0.000 1.128 164 K HN 0.825 nan 8.250 nan 0.000 0.429 165 E N 2.522 122.693 120.200 -0.048 0.000 2.269 165 E HA -0.258 4.093 4.350 0.001 0.000 0.223 165 E C -0.293 176.281 176.600 -0.043 0.000 1.244 165 E CA 1.087 57.459 56.400 -0.046 0.000 0.713 165 E CB -1.835 27.843 29.700 -0.038 0.000 1.178 165 E HN 0.877 nan 8.360 nan 0.000 0.370 166 S N -2.415 113.258 115.700 -0.045 0.000 2.361 166 S HA -0.189 4.281 4.470 0.001 0.000 0.247 166 S C 0.398 174.963 174.600 -0.059 0.000 1.218 166 S CA 1.403 59.586 58.200 -0.030 0.000 1.502 166 S CB -0.585 62.611 63.200 -0.008 0.000 1.893 166 S HN 0.513 nan 8.310 nan 0.000 0.610 167 N N 1.029 119.680 118.700 -0.082 0.000 2.514 167 N HA 0.612 5.353 4.740 0.001 0.000 0.277 167 N C -0.458 174.932 175.510 -0.201 0.000 1.126 167 N CA 0.095 53.068 53.050 -0.128 0.000 0.978 167 N CB 1.154 39.590 38.487 -0.086 0.000 1.106 167 N HN 0.584 nan 8.380 nan 0.000 0.461 168 I N 2.198 122.568 120.570 -0.334 0.000 2.619 168 I HA 0.390 4.561 4.170 0.001 0.000 0.292 168 I C -2.466 173.454 176.117 -0.328 0.000 1.100 168 I CA -2.457 58.632 61.300 -0.353 0.000 1.043 168 I CB 2.929 40.669 38.000 -0.433 0.000 1.239 168 I HN 0.274 nan 8.210 nan 0.000 0.420 169 P HA 0.113 nan 4.420 nan 0.000 0.272 169 P C -1.306 175.956 177.300 -0.064 0.000 1.230 169 P CA -0.064 62.977 63.100 -0.098 0.000 0.788 169 P CB 0.485 32.152 31.700 -0.055 0.000 0.949 170 E N 0.321 120.538 120.200 0.028 0.000 2.046 170 E HA 0.340 4.691 4.350 0.001 0.000 0.279 170 E C -0.182 176.465 176.600 0.078 0.000 0.989 170 E CA -0.624 55.844 56.400 0.113 0.000 0.798 170 E CB 0.743 30.547 29.700 0.173 0.000 1.086 170 E HN 0.262 nan 8.360 nan 0.000 0.399 171 V N 0.888 120.851 119.914 0.081 0.000 3.102 171 V HA 0.615 4.736 4.120 0.001 0.000 0.312 171 V C -0.907 175.232 176.094 0.075 0.000 1.135 171 V CA -1.167 61.172 62.300 0.064 0.000 1.022 171 V CB 2.291 34.143 31.823 0.048 0.000 1.056 171 V HN 0.523 nan 8.190 nan 0.000 0.436 172 N N 1.143 119.879 118.700 0.060 0.000 2.448 172 N HA 0.737 5.477 4.740 0.001 0.000 0.279 172 N C -1.413 174.126 175.510 0.048 0.000 1.025 172 N CA -0.482 52.604 53.050 0.059 0.000 0.898 172 N CB 1.447 39.963 38.487 0.048 0.000 1.303 172 N HN 0.883 nan 8.380 nan 0.000 0.495 173 I N 2.023 122.626 120.570 0.055 0.000 2.545 173 I HA 0.418 4.589 4.170 0.001 0.000 0.292 173 I C -0.479 175.626 176.117 -0.021 0.000 1.040 173 I CA -0.752 60.564 61.300 0.027 0.000 1.068 173 I CB 2.288 40.331 38.000 0.073 0.000 1.251 173 I HN 0.543 nan 8.210 nan 0.000 0.424 174 T N 0.485 115.002 114.554 -0.061 0.000 2.876 174 T HA 0.704 5.054 4.350 0.001 0.000 0.289 174 T C -1.124 173.477 174.700 -0.166 0.000 1.014 174 T CA -0.726 61.312 62.100 -0.103 0.000 0.986 174 T CB 2.535 71.413 68.868 0.017 0.000 1.021 174 T HN 0.471 nan 8.240 nan 0.000 0.458 175 D N 0.769 120.998 120.400 -0.285 0.000 2.736 175 D HA 0.625 5.266 4.640 0.001 0.000 0.223 175 D C -1.668 174.631 176.300 -0.001 0.000 1.231 175 D CA -0.284 53.551 54.000 -0.274 0.000 0.818 175 D CB 1.875 42.418 40.800 -0.428 0.000 1.587 175 D HN 0.786 nan 8.370 nan 0.000 0.463 176 Y N -1.250 119.006 120.300 -0.073 0.000 2.687 176 Y HA 0.586 5.136 4.550 0.001 0.000 0.338 176 Y C -3.082 172.096 175.900 -1.203 0.000 1.189 176 Y CA -1.861 55.974 58.100 -0.441 0.000 1.097 176 Y CB 0.666 38.968 38.460 -0.264 0.000 1.342 176 Y HN 0.059 nan 8.280 nan 0.000 0.461 177 P HA 0.264 nan 4.420 nan 0.000 0.281 177 P C 0.031 176.999 177.300 -0.553 0.000 1.249 177 P CA -0.159 62.092 63.100 -1.414 0.000 0.810 177 P CB 2.118 33.219 31.700 -0.999 0.000 1.008 178 T N 0.171 114.459 114.554 -0.442 0.000 2.770 178 T HA 0.023 4.373 4.350 0.001 0.000 0.263 178 T C 0.864 175.457 174.700 -0.178 0.000 1.039 178 T CA 1.059 63.013 62.100 -0.244 0.000 1.142 178 T CB -0.133 68.577 68.868 -0.263 0.000 0.868 178 T HN 0.195 nan 8.240 nan 0.000 0.435 179 V N 1.994 121.798 119.914 -0.184 0.000 2.427 179 V HA 0.244 4.364 4.120 0.001 0.000 0.286 179 V C 0.964 177.016 176.094 -0.070 0.000 1.034 179 V CA -0.325 61.921 62.300 -0.089 0.000 0.893 179 V CB 1.757 33.544 31.823 -0.060 0.000 0.982 179 V HN 0.331 nan 8.190 nan 0.000 0.452 180 S N 2.961 118.648 115.700 -0.020 0.000 2.383 180 S HA 0.041 4.512 4.470 0.001 0.000 0.227 180 S C 0.844 175.430 174.600 -0.022 0.000 1.026 180 S CA 1.047 59.246 58.200 -0.002 0.000 0.981 180 S CB 0.055 63.282 63.200 0.046 0.000 0.818 180 S HN 0.947 nan 8.310 nan 0.000 0.472 181 A N 1.609 124.368 122.820 -0.102 0.000 2.318 181 A HA 0.770 5.091 4.320 0.001 0.000 0.317 181 A C -0.301 177.100 177.584 -0.305 0.000 1.159 181 A CA -0.777 51.060 52.037 -0.334 0.000 0.799 181 A CB 0.878 19.354 19.000 -0.873 0.000 1.194 181 A HN 0.326 nan 8.150 nan 0.000 0.479 182 R N 1.771 122.162 120.500 -0.181 0.000 2.515 182 R HA 0.678 5.019 4.340 0.001 0.000 0.291 182 R C 0.132 176.397 176.300 -0.058 0.000 1.046 182 R CA -0.039 56.047 56.100 -0.023 0.000 0.914 182 R CB 2.333 32.679 30.300 0.076 0.000 1.191 182 R HN 1.232 nan 8.270 nan 0.000 0.435 183 G N 2.081 110.842 108.800 -0.066 0.000 2.441 183 G HA2 0.330 4.290 3.960 0.001 0.000 0.225 183 G HA3 0.330 4.290 3.960 0.001 0.000 0.225 183 G C -1.882 172.911 174.900 -0.178 0.000 1.200 183 G CA -0.569 44.433 45.100 -0.163 0.000 0.947 183 G HN 0.239 nan 8.290 nan 0.000 0.484 184 I N 0.164 120.619 120.570 -0.192 0.000 2.530 184 I HA 0.638 4.809 4.170 0.001 0.000 0.297 184 I C -0.230 175.846 176.117 -0.068 0.000 1.011 184 I CA -1.061 60.187 61.300 -0.087 0.000 1.107 184 I CB 1.891 39.907 38.000 0.027 0.000 1.285 184 I HN 0.410 nan 8.210 nan 0.000 0.436 185 V N 6.135 125.904 119.914 -0.241 0.000 2.357 185 V HA 0.381 4.502 4.120 0.001 0.000 0.284 185 V C 0.173 176.041 176.094 -0.377 0.000 1.018 185 V CA -0.423 61.621 62.300 -0.426 0.000 0.841 185 V CB 1.367 32.635 31.823 -0.925 0.000 0.991 185 V HN 0.847 nan 8.190 nan 0.000 0.437 186 E N 4.645 124.638 120.200 -0.345 0.000 1.842 186 E HA 0.264 4.615 4.350 0.001 0.000 0.278 186 E C 1.000 177.171 176.600 -0.715 0.000 1.171 186 E CA 0.484 56.578 56.400 -0.510 0.000 1.127 186 E CB 0.048 29.468 29.700 -0.466 0.000 1.100 186 E HN 0.940 nan 8.360 nan 0.000 0.456 187 G N 3.296 111.780 108.800 -0.526 0.000 3.192 187 G HA2 0.042 4.003 3.960 0.001 0.000 0.239 187 G HA3 0.042 4.003 3.960 0.001 0.000 0.239 187 G C 0.166 174.911 174.900 -0.260 0.000 1.084 187 G CA -0.423 44.511 45.100 -0.277 0.000 0.784 187 G HN 0.426 nan 8.290 nan 0.000 0.540 188 F N -0.161 119.699 119.950 -0.151 0.000 2.450 188 F HA 0.650 5.178 4.527 0.001 0.000 0.339 188 F C 0.072 175.790 175.800 -0.137 0.000 1.146 188 F CA -2.163 55.804 58.000 -0.055 0.000 1.267 188 F CB 0.201 39.155 39.000 -0.077 0.000 1.178 188 F HN -0.050 nan 8.300 nan 0.000 0.585 189 Y N 1.007 121.417 120.300 0.183 0.000 2.300 189 Y HA 0.534 5.085 4.550 0.001 0.000 0.328 189 Y C 0.996 177.025 175.900 0.215 0.000 1.270 189 Y CA 0.471 58.645 58.100 0.124 0.000 1.352 189 Y CB 0.898 39.434 38.460 0.128 0.000 1.286 189 Y HN 1.114 nan 8.280 nan 0.000 0.536 190 G N -0.137 108.840 108.800 0.296 0.000 2.409 190 G HA2 -0.144 3.817 3.960 0.001 0.000 0.421 190 G HA3 -0.144 3.817 3.960 0.001 0.000 0.421 190 G C -0.978 174.038 174.900 0.193 0.000 1.259 190 G CA -0.879 44.357 45.100 0.226 0.000 1.011 190 G HN 0.568 nan 8.290 nan 0.000 0.497 191 T N 4.187 118.834 114.554 0.155 0.000 2.793 191 T HA 0.439 4.790 4.350 0.001 0.000 0.289 191 T C -1.574 173.273 174.700 0.245 0.000 0.956 191 T CA 0.409 62.599 62.100 0.151 0.000 1.177 191 T CB 0.797 69.732 68.868 0.112 0.000 0.897 191 T HN 0.601 nan 8.240 nan 0.000 0.533 192 P HA 0.056 nan 4.420 nan 0.000 0.270 192 P C -0.127 177.423 177.300 0.417 0.000 1.223 192 P CA -0.634 62.618 63.100 0.252 0.000 0.785 192 P CB 0.580 32.352 31.700 0.119 0.000 0.923 193 W N 1.393 122.869 121.300 0.293 0.000 2.193 193 W HA 0.081 4.742 4.660 0.001 0.000 0.338 193 W C 1.278 177.904 176.519 0.177 0.000 1.310 193 W CA -0.057 57.420 57.345 0.220 0.000 1.243 193 W CB -0.818 28.803 29.460 0.270 0.000 1.165 193 W HN 0.338 nan 8.180 nan 0.000 0.566 194 T N -1.247 113.507 114.554 0.334 0.000 2.788 194 T HA 0.028 4.379 4.350 0.001 0.000 0.287 194 T C 1.094 175.954 174.700 0.267 0.000 1.007 194 T CA 0.048 62.299 62.100 0.251 0.000 1.005 194 T CB 0.958 69.921 68.868 0.158 0.000 1.012 194 T HN 0.495 nan 8.240 nan 0.000 0.530 195 H N 0.379 119.541 119.070 0.154 0.000 2.289 195 H HA -0.119 4.438 4.556 0.001 0.000 0.296 195 H C 2.347 177.720 175.328 0.074 0.000 1.091 195 H CA 2.599 58.724 56.048 0.129 0.000 1.274 195 H CB -0.360 29.457 29.762 0.090 0.000 1.364 195 H HN 0.754 nan 8.280 nan 0.000 0.490 196 Q N -0.278 119.533 119.800 0.017 0.000 2.077 196 Q HA -0.193 4.148 4.340 0.001 0.000 0.206 196 Q C 1.944 177.863 176.000 -0.135 0.000 0.989 196 Q CA 1.676 57.434 55.803 -0.075 0.000 0.853 196 Q CB -0.070 28.655 28.738 -0.020 0.000 0.907 196 Q HN 0.600 nan 8.270 nan 0.000 0.418 197 D N -0.017 120.318 120.400 -0.109 0.000 2.123 197 D HA -0.143 4.498 4.640 0.001 0.000 0.196 197 D C 1.928 178.046 176.300 -0.304 0.000 0.992 197 D CA 1.188 55.037 54.000 -0.251 0.000 0.833 197 D CB -0.128 40.507 40.800 -0.276 0.000 0.954 197 D HN 0.205 nan 8.370 nan 0.000 0.455 198 R N -0.040 120.399 120.500 -0.101 0.000 2.073 198 R HA 0.041 4.382 4.340 0.001 0.000 0.229 198 R C 2.602 178.778 176.300 -0.207 0.000 1.120 198 R CA 0.486 56.565 56.100 -0.035 0.000 0.967 198 R CB -0.307 30.143 30.300 0.251 0.000 0.862 198 R HN 0.202 nan 8.270 nan 0.000 0.436 199 L N 0.439 121.517 121.223 -0.242 0.000 2.083 199 L HA -0.200 4.141 4.340 0.001 0.000 0.209 199 L C 2.113 178.848 176.870 -0.226 0.000 1.083 199 L CA 1.475 56.173 54.840 -0.237 0.000 0.752 199 L CB -0.443 41.456 42.059 -0.265 0.000 0.899 199 L HN 0.205 nan 8.230 nan 0.000 0.433 200 D N -0.918 119.337 120.400 -0.243 0.000 2.117 200 D HA -0.209 4.432 4.640 0.001 0.000 0.198 200 D C 2.268 178.389 176.300 -0.298 0.000 0.982 200 D CA 0.978 54.840 54.000 -0.231 0.000 0.828 200 D CB 0.168 40.826 40.800 -0.237 0.000 0.967 200 D HN 0.145 nan 8.370 nan 0.000 0.464 201 Q N 0.047 119.574 119.800 -0.454 0.000 2.077 201 Q HA -0.167 4.174 4.340 0.001 0.000 0.206 201 Q C 2.610 177.987 176.000 -1.039 0.000 0.989 201 Q CA 1.068 56.447 55.803 -0.707 0.000 0.853 201 Q CB -0.387 27.904 28.738 -0.744 0.000 0.907 201 Q HN 0.505 nan 8.270 nan 0.000 0.418 202 I N 0.746 120.908 120.570 -0.680 0.000 2.226 202 I HA -0.299 3.872 4.170 0.001 0.000 0.245 202 I C 2.438 178.444 176.117 -0.185 0.000 1.100 202 I CA 1.234 62.287 61.300 -0.412 0.000 1.374 202 I CB -0.223 37.689 38.000 -0.147 0.000 1.057 202 I HN 0.158 nan 8.210 nan 0.000 0.413 203 K N 0.155 120.477 120.400 -0.130 0.000 2.009 203 K HA -0.246 4.074 4.320 0.001 0.000 0.210 203 K C 2.179 178.794 176.600 0.025 0.000 1.049 203 K CA 1.938 58.216 56.287 -0.014 0.000 0.929 203 K CB -0.445 32.046 32.500 -0.015 0.000 0.714 203 K HN 0.159 nan 8.250 nan 0.000 0.440 204 F N 1.136 120.978 119.950 -0.180 0.000 2.120 204 F HA -0.290 4.238 4.527 0.002 0.000 0.300 204 F C 1.881 177.719 175.800 0.062 0.000 1.095 204 F CA 1.517 59.456 58.000 -0.101 0.000 1.249 204 F CB -0.339 38.558 39.000 -0.171 0.000 0.995 204 F HN 0.034 nan 8.300 nan 0.000 0.480 205 Y N 0.450 120.715 120.300 -0.057 0.000 2.145 205 Y HA -0.001 4.550 4.550 0.001 0.000 0.286 205 Y C 2.839 178.715 175.900 -0.040 0.000 1.145 205 Y CA 0.586 58.623 58.100 -0.105 0.000 1.148 205 Y CB -1.717 36.768 38.460 0.043 0.000 0.981 205 Y HN 0.104 nan 8.280 nan 0.000 0.507 206 G N -0.012 108.925 108.800 0.229 0.000 2.440 206 G HA2 -0.256 3.705 3.960 0.001 0.000 0.218 206 G HA3 -0.256 3.705 3.960 0.001 0.000 0.218 206 G C 1.530 176.586 174.900 0.260 0.000 1.154 206 G CA 1.071 46.393 45.100 0.371 0.000 0.767 206 G HN 0.454 nan 8.290 nan 0.000 0.552 207 E N 0.417 120.639 120.200 0.037 0.000 2.204 207 E HA -0.046 4.304 4.350 0.001 0.000 0.194 207 E C 1.314 177.787 176.600 -0.212 0.000 0.989 207 E CA 0.545 56.886 56.400 -0.098 0.000 0.824 207 E CB -0.003 29.642 29.700 -0.092 0.000 0.756 207 E HN 0.409 nan 8.360 nan 0.000 0.477 208 N N 0.447 118.977 118.700 -0.283 0.000 2.214 208 N HA 0.058 4.799 4.740 0.001 0.000 0.214 208 N C -0.555 174.738 175.510 -0.362 0.000 1.132 208 N CA 0.098 52.914 53.050 -0.389 0.000 0.856 208 N CB 0.749 38.912 38.487 -0.540 0.000 1.020 208 N HN 0.044 nan 8.380 nan 0.000 0.509 209 K N 0.359 120.596 120.400 -0.271 0.000 3.230 209 K HA -0.157 4.164 4.320 0.001 0.000 0.285 209 K C -0.523 175.968 176.600 -0.181 0.000 1.196 209 K CA 0.499 56.493 56.287 -0.488 0.000 0.838 209 K CB -1.769 29.994 32.500 -1.228 0.000 1.262 209 K HN 0.256 nan 8.250 nan 0.000 0.492 210 L N 1.827 123.044 121.223 -0.009 0.000 2.290 210 L HA 0.149 4.489 4.340 0.001 0.000 0.284 210 L C 1.291 178.251 176.870 0.151 0.000 1.078 210 L CA -0.408 54.457 54.840 0.042 0.000 0.815 210 L CB 0.595 42.627 42.059 -0.046 0.000 1.162 210 L HN 0.212 nan 8.230 nan 0.000 0.435 211 N N -0.056 118.723 118.700 0.132 0.000 2.200 211 N HA 0.064 4.805 4.740 0.001 0.000 0.224 211 N C -0.462 175.109 175.510 0.103 0.000 1.179 211 N CA -0.329 52.826 53.050 0.176 0.000 0.877 211 N CB 0.905 39.532 38.487 0.233 0.000 1.072 211 N HN 0.393 nan 8.380 nan 0.000 0.519 212 T N 0.695 115.278 114.554 0.048 0.000 2.991 212 T HA 0.250 4.601 4.350 0.001 0.000 0.303 212 T C -2.213 172.555 174.700 0.114 0.000 1.015 212 T CA -0.454 61.667 62.100 0.034 0.000 1.007 212 T CB 1.410 70.195 68.868 -0.139 0.000 1.034 212 T HN 0.172 nan 8.240 nan 0.000 0.446 213 Y N 3.958 124.275 120.300 0.028 0.000 2.329 213 Y HA 0.606 5.157 4.550 0.001 0.000 0.328 213 Y C -1.366 174.489 175.900 -0.075 0.000 0.992 213 Y CA -1.804 56.323 58.100 0.045 0.000 1.151 213 Y CB 0.663 39.283 38.460 0.267 0.000 1.150 213 Y HN 0.628 nan 8.280 nan 0.000 0.450 214 I N 8.096 128.480 120.570 -0.309 0.000 2.281 214 I HA 0.098 4.268 4.170 0.001 0.000 0.293 214 I C -0.843 174.823 176.117 -0.752 0.000 1.085 214 I CA -0.712 60.321 61.300 -0.446 0.000 1.257 214 I CB 0.147 38.009 38.000 -0.231 0.000 1.430 214 I HN 0.614 nan 8.210 nan 0.000 0.489 215 Y N 7.114 126.711 120.300 -1.172 0.000 2.531 215 Y HA 0.457 5.007 4.550 0.001 0.000 0.347 215 Y C 0.348 175.764 175.900 -0.806 0.000 1.024 215 Y CA -0.422 57.051 58.100 -1.044 0.000 1.306 215 Y CB 0.615 38.459 38.460 -1.027 0.000 1.149 215 Y HN 0.609 nan 8.280 nan 0.000 0.527 216 A N 8.123 130.240 122.820 -1.170 0.000 3.411 216 A HA 0.320 4.641 4.320 0.001 0.000 0.238 216 A C -3.164 173.622 177.584 -1.328 0.000 1.140 216 A CA -0.932 50.339 52.037 -1.276 0.000 0.980 216 A CB -0.161 18.338 19.000 -0.835 0.000 1.371 216 A HN 0.491 nan 8.150 nan 0.000 0.700 217 P HA 0.284 nan 4.420 nan 0.000 0.282 217 P C 0.518 177.386 177.300 -0.720 0.000 1.249 217 P CA -0.277 62.265 63.100 -0.929 0.000 0.806 217 P CB 1.234 32.514 31.700 -0.700 0.000 0.984 218 K N 1.647 121.752 120.400 -0.491 0.000 2.152 218 K HA -0.152 4.168 4.320 0.001 0.000 0.206 218 K C 1.117 177.651 176.600 -0.111 0.000 1.048 218 K CA 1.553 57.700 56.287 -0.234 0.000 0.933 218 K CB -0.666 31.676 32.500 -0.263 0.000 0.721 218 K HN 0.618 nan 8.250 nan 0.000 0.447 219 D N 0.852 121.179 120.400 -0.122 0.000 2.328 219 D HA -0.094 4.547 4.640 0.001 0.000 0.226 219 D C -0.500 175.821 176.300 0.035 0.000 1.066 219 D CA 0.101 54.089 54.000 -0.021 0.000 0.861 219 D CB -0.055 40.753 40.800 0.013 0.000 0.912 219 D HN -0.115 nan 8.370 nan 0.000 0.521 220 D N 0.702 121.119 120.400 0.028 0.000 2.460 220 D HA 0.222 4.863 4.640 0.001 0.000 0.232 220 D C -1.877 174.530 176.300 0.179 0.000 1.079 220 D CA -2.346 51.758 54.000 0.174 0.000 0.864 220 D CB 2.053 43.015 40.800 0.270 0.000 1.048 220 D HN -0.124 nan 8.370 nan 0.000 0.523 221 P HA -0.106 nan 4.420 nan 0.000 0.219 221 P C 0.689 177.828 177.300 -0.268 0.000 1.146 221 P CA 0.946 63.933 63.100 -0.188 0.000 0.808 221 P CB -0.015 31.462 31.700 -0.371 0.000 0.779 222 Y N -1.854 118.457 120.300 0.018 0.000 2.632 222 Y HA -0.106 4.445 4.550 0.001 0.000 0.301 222 Y C 2.319 178.316 175.900 0.160 0.000 1.172 222 Y CA 0.934 58.980 58.100 -0.090 0.000 1.328 222 Y CB -1.117 36.957 38.460 -0.643 0.000 1.016 222 Y HN 0.306 nan 8.280 nan 0.000 0.529 223 H N -1.832 117.324 119.070 0.142 0.000 2.648 223 H HA 0.314 4.871 4.556 0.001 0.000 0.265 223 H C 1.980 177.269 175.328 -0.065 0.000 0.961 223 H CA 0.325 56.381 56.048 0.014 0.000 1.185 223 H CB 0.411 30.001 29.762 -0.286 0.000 1.449 223 H HN 0.104 nan 8.280 nan 0.000 0.523 224 R N -0.173 120.078 120.500 -0.415 0.000 4.870 224 R HA 0.016 4.357 4.340 0.001 0.000 0.117 224 R C 1.328 177.586 176.300 -0.070 0.000 0.874 224 R CA 0.584 56.462 56.100 -0.369 0.000 0.913 224 R CB 0.285 30.214 30.300 -0.618 0.000 1.441 224 R HN 0.248 nan 8.270 nan 0.000 0.411 225 E N 1.972 122.098 120.200 -0.124 0.000 2.204 225 E HA -0.144 4.207 4.350 0.001 0.000 0.195 225 E C 0.076 176.590 176.600 -0.143 0.000 0.990 225 E CA 1.172 57.516 56.400 -0.094 0.000 0.821 225 E CB 0.027 29.663 29.700 -0.107 0.000 0.750 225 E HN 0.349 nan 8.360 nan 0.000 0.477 226 K N 1.249 121.516 120.400 -0.222 0.000 3.045 226 K HA 0.123 4.443 4.320 0.001 0.000 0.211 226 K C 1.076 177.557 176.600 -0.198 0.000 1.141 226 K CA -0.358 55.748 56.287 -0.302 0.000 1.036 226 K CB -0.074 32.124 32.500 -0.502 0.000 0.851 226 K HN 0.234 nan 8.250 nan 0.000 0.462 227 W N 1.224 122.425 121.300 -0.166 0.000 2.350 227 W HA -0.198 4.463 4.660 0.001 0.000 0.289 227 W C 0.825 177.298 176.519 -0.077 0.000 1.215 227 W CA 0.573 57.850 57.345 -0.113 0.000 1.236 227 W CB -0.553 28.803 29.460 -0.172 0.000 1.130 227 W HN 0.080 nan 8.180 nan 0.000 0.541 228 R N 0.954 120.879 120.500 -0.957 0.000 2.115 228 R HA -0.012 4.329 4.340 0.001 0.000 0.230 228 R C 0.519 176.607 176.300 -0.353 0.000 1.111 228 R CA 0.958 56.530 56.100 -0.880 0.000 0.976 228 R CB -0.272 29.248 30.300 -1.301 0.000 0.870 228 R HN 0.239 nan 8.270 nan 0.000 0.445 229 E N 1.508 121.571 120.200 -0.229 0.000 2.259 229 E HA 0.156 4.507 4.350 0.001 0.000 0.281 229 E C -2.387 174.198 176.600 -0.026 0.000 1.027 229 E CA -2.403 53.953 56.400 -0.074 0.000 0.838 229 E CB 0.968 30.687 29.700 0.031 0.000 1.066 229 E HN -0.073 nan 8.360 nan 0.000 0.401 230 P HA -0.108 nan 4.420 nan 0.000 0.267 230 P C -0.934 176.206 177.300 -0.268 0.000 1.200 230 P CA 0.300 63.344 63.100 -0.093 0.000 0.772 230 P CB 0.242 31.923 31.700 -0.031 0.000 0.855 231 Y N 3.135 123.229 120.300 -0.343 0.000 2.712 231 Y HA 0.036 4.587 4.550 0.001 0.000 0.333 231 Y C -0.999 174.687 175.900 -0.358 0.000 1.225 231 Y CA -0.719 57.022 58.100 -0.598 0.000 1.499 231 Y CB -0.792 37.439 38.460 -0.382 0.000 1.288 231 Y HN 0.379 nan 8.280 nan 0.000 0.575 232 P HA 0.016 nan 4.420 nan 0.000 0.276 232 P C 0.365 177.650 177.300 -0.024 0.000 1.261 232 P CA -0.296 62.767 63.100 -0.061 0.000 0.800 232 P CB 0.989 32.684 31.700 -0.009 0.000 1.066 233 E N 0.462 120.655 120.200 -0.013 0.000 2.147 233 E HA -0.186 4.165 4.350 0.001 0.000 0.199 233 E C 1.813 178.404 176.600 -0.015 0.000 1.005 233 E CA 2.164 58.555 56.400 -0.014 0.000 0.810 233 E CB -0.497 29.197 29.700 -0.009 0.000 0.736 233 E HN 0.573 nan 8.360 nan 0.000 0.460 234 S N 0.153 115.854 115.700 0.001 0.000 2.469 234 S HA -0.094 4.377 4.470 0.001 0.000 0.238 234 S C 1.502 176.106 174.600 0.006 0.000 0.998 234 S CA 0.816 59.021 58.200 0.009 0.000 0.957 234 S CB 0.123 63.343 63.200 0.033 0.000 0.764 234 S HN 0.094 nan 8.310 nan 0.000 0.514 235 E N -0.083 120.120 120.200 0.006 0.000 2.511 235 E HA 0.274 4.625 4.350 0.001 0.000 0.209 235 E C 1.546 178.081 176.600 -0.108 0.000 0.986 235 E CA -0.048 56.353 56.400 0.002 0.000 0.974 235 E CB -0.020 29.762 29.700 0.136 0.000 1.030 235 E HN 0.456 nan 8.360 nan 0.000 0.490 236 M N 0.530 120.070 119.600 -0.100 0.000 2.080 236 M HA -0.181 4.300 4.480 0.001 0.000 0.260 236 M C 2.289 178.495 176.300 -0.157 0.000 1.068 236 M CA 1.584 56.798 55.300 -0.142 0.000 1.109 236 M CB -0.926 31.622 32.600 -0.087 0.000 1.342 236 M HN 0.154 nan 8.290 nan 0.000 0.405 237 Q N 0.151 119.880 119.800 -0.119 0.000 2.061 237 Q HA -0.223 4.117 4.340 0.001 0.000 0.204 237 Q C 2.266 178.180 176.000 -0.143 0.000 0.984 237 Q CA 1.780 57.516 55.803 -0.111 0.000 0.846 237 Q CB -0.103 28.584 28.738 -0.085 0.000 0.902 237 Q HN 0.401 nan 8.270 nan 0.000 0.421 238 R N -0.468 119.918 120.500 -0.190 0.000 2.097 238 R HA -0.186 4.154 4.340 0.001 0.000 0.236 238 R C 2.328 178.526 176.300 -0.169 0.000 1.135 238 R CA 2.028 57.966 56.100 -0.271 0.000 0.934 238 R CB -0.192 29.937 30.300 -0.285 0.000 0.846 238 R HN 0.329 nan 8.270 nan 0.000 0.431 239 M N 0.429 119.865 119.600 -0.274 0.000 2.106 239 M HA -0.216 4.265 4.480 0.001 0.000 0.259 239 M C 2.241 178.319 176.300 -0.370 0.000 1.068 239 M CA 1.681 56.738 55.300 -0.404 0.000 1.100 239 M CB -1.054 31.162 32.600 -0.641 0.000 1.351 239 M HN 0.186 nan 8.290 nan 0.000 0.404 240 Q N 0.684 120.323 119.800 -0.268 0.000 2.084 240 Q HA -0.141 4.200 4.340 0.001 0.000 0.202 240 Q C 1.769 177.662 176.000 -0.178 0.000 0.978 240 Q CA 1.779 57.449 55.803 -0.222 0.000 0.844 240 Q CB -0.120 28.526 28.738 -0.154 0.000 0.898 240 Q HN 0.585 nan 8.270 nan 0.000 0.426 241 E N -0.317 119.825 120.200 -0.098 0.000 2.051 241 E HA -0.176 4.175 4.350 0.001 0.000 0.192 241 E C 2.060 178.622 176.600 -0.063 0.000 0.991 241 E CA 1.275 57.661 56.400 -0.024 0.000 0.799 241 E CB -0.243 29.532 29.700 0.126 0.000 0.748 241 E HN 0.351 nan 8.360 nan 0.000 0.449 242 L N 0.704 121.883 121.223 -0.073 0.000 2.012 242 L HA -0.229 4.112 4.340 0.001 0.000 0.210 242 L C 2.543 179.234 176.870 -0.298 0.000 1.073 242 L CA 1.148 55.918 54.840 -0.117 0.000 0.748 242 L CB -0.532 41.468 42.059 -0.100 0.000 0.891 242 L HN 0.154 nan 8.230 nan 0.000 0.431 243 I N -0.110 120.117 120.570 -0.573 0.000 2.226 243 I HA -0.266 3.904 4.170 0.001 0.000 0.245 243 I C 2.217 178.191 176.117 -0.239 0.000 1.100 243 I CA 1.157 62.108 61.300 -0.581 0.000 1.374 243 I CB -0.383 37.277 38.000 -0.567 0.000 1.057 243 I HN 0.317 nan 8.210 nan 0.000 0.413 244 N N 1.062 119.655 118.700 -0.178 0.000 2.142 244 N HA -0.085 4.656 4.740 0.001 0.000 0.186 244 N C 1.908 177.375 175.510 -0.071 0.000 1.023 244 N CA 1.570 54.556 53.050 -0.107 0.000 0.852 244 N CB -0.487 37.948 38.487 -0.087 0.000 0.998 244 N HN 0.325 nan 8.380 nan 0.000 0.424 245 A N 0.445 123.229 122.820 -0.060 0.000 1.933 245 A HA -0.092 4.228 4.320 0.001 0.000 0.218 245 A C 2.404 179.985 177.584 -0.005 0.000 1.175 245 A CA 1.739 53.757 52.037 -0.032 0.000 0.628 245 A CB -0.712 18.265 19.000 -0.038 0.000 0.814 245 A HN 0.266 nan 8.150 nan 0.000 0.444 246 S N 0.021 115.742 115.700 0.035 0.000 2.368 246 S HA -0.071 4.399 4.470 0.001 0.000 0.225 246 S C 2.302 176.915 174.600 0.021 0.000 1.030 246 S CA 1.280 59.546 58.200 0.111 0.000 0.999 246 S CB -0.486 62.879 63.200 0.275 0.000 0.844 246 S HN 0.809 nan 8.310 nan 0.000 0.459 247 A N 1.524 124.329 122.820 -0.024 0.000 1.898 247 A HA -0.102 4.218 4.320 0.001 0.000 0.216 247 A C 1.959 179.463 177.584 -0.133 0.000 1.181 247 A CA 1.390 53.386 52.037 -0.069 0.000 0.620 247 A CB -0.608 18.353 19.000 -0.066 0.000 0.819 247 A HN 0.516 nan 8.150 nan 0.000 0.442 248 E N 0.128 120.264 120.200 -0.106 0.000 2.171 248 E HA -0.155 4.196 4.350 0.001 0.000 0.197 248 E C 0.653 177.113 176.600 -0.234 0.000 0.997 248 E CA 1.217 57.548 56.400 -0.114 0.000 0.810 248 E CB -0.089 29.589 29.700 -0.037 0.000 0.738 248 E HN 0.580 nan 8.360 nan 0.000 0.467 249 N N 0.031 118.589 118.700 -0.236 0.000 2.234 249 N HA 0.027 4.768 4.740 0.001 0.000 0.227 249 N C -0.539 174.669 175.510 -0.503 0.000 1.151 249 N CA 0.069 52.928 53.050 -0.318 0.000 0.865 249 N CB 0.944 39.453 38.487 0.035 0.000 1.066 249 N HN -0.065 nan 8.380 nan 0.000 0.515 250 K N -0.128 119.951 120.400 -0.535 0.000 3.160 250 K HA -0.117 4.204 4.320 0.001 0.000 0.280 250 K C -0.524 176.044 176.600 -0.055 0.000 1.154 250 K CA 0.292 56.353 56.287 -0.376 0.000 0.822 250 K CB -2.305 29.797 32.500 -0.664 0.000 1.239 250 K HN 0.052 nan 8.250 nan 0.000 0.489 251 V N 1.950 121.880 119.914 0.027 0.000 2.432 251 V HA 0.120 4.241 4.120 0.001 0.000 0.275 251 V C 0.623 176.819 176.094 0.170 0.000 1.043 251 V CA -0.658 61.739 62.300 0.161 0.000 0.925 251 V CB 1.483 33.462 31.823 0.261 0.000 0.985 251 V HN 0.060 nan 8.190 nan 0.000 0.466 252 D N 4.370 124.870 120.400 0.167 0.000 2.342 252 D HA 0.092 4.733 4.640 0.001 0.000 0.260 252 D C -0.204 176.230 176.300 0.224 0.000 1.278 252 D CA 0.093 54.194 54.000 0.169 0.000 0.910 252 D CB 0.679 41.559 40.800 0.132 0.000 1.079 252 D HN 0.433 nan 8.370 nan 0.000 0.496 253 F N 3.667 123.681 119.950 0.107 0.000 2.487 253 F HA 0.089 4.617 4.527 0.001 0.000 0.364 253 F C -0.273 175.550 175.800 0.038 0.000 1.126 253 F CA -0.415 57.650 58.000 0.107 0.000 1.135 253 F CB 0.353 39.401 39.000 0.080 0.000 1.127 253 F HN -0.007 nan 8.300 nan 0.000 0.559 254 V N 8.204 127.896 119.914 -0.370 0.000 2.407 254 V HA 0.167 4.287 4.120 0.001 0.000 0.278 254 V C -0.334 175.528 176.094 -0.386 0.000 1.037 254 V CA -0.777 61.380 62.300 -0.238 0.000 0.900 254 V CB 1.033 32.820 31.823 -0.061 0.000 0.983 254 V HN 0.588 nan 8.190 nan 0.000 0.459 255 F N 3.792 123.563 119.950 -0.299 0.000 2.405 255 F HA 0.690 5.218 4.527 0.001 0.000 0.355 255 F C 0.854 176.657 175.800 0.006 0.000 1.121 255 F CA -0.406 57.531 58.000 -0.106 0.000 1.112 255 F CB 0.965 40.029 39.000 0.107 0.000 1.126 255 F HN 0.564 nan 8.300 nan 0.000 0.481 256 G N 7.171 115.586 108.800 -0.643 0.000 2.333 256 G HA2 0.459 4.420 3.960 0.001 0.000 0.290 256 G HA3 0.459 4.420 3.960 0.001 0.000 0.290 256 G C -1.363 173.219 174.900 -0.531 0.000 1.150 256 G CA -0.378 44.414 45.100 -0.514 0.000 0.895 256 G HN 0.624 nan 8.290 nan 0.000 0.444 257 I N 1.557 121.961 120.570 -0.277 0.000 2.404 257 I HA 0.511 4.682 4.170 0.001 0.000 0.293 257 I C -0.053 175.763 176.117 -0.502 0.000 0.992 257 I CA -0.537 60.627 61.300 -0.227 0.000 1.149 257 I CB 2.245 40.271 38.000 0.043 0.000 1.315 257 I HN 0.250 nan 8.210 nan 0.000 0.446 258 S N 9.128 124.477 115.700 -0.584 0.000 2.406 258 S HA 0.378 4.849 4.470 0.001 0.000 0.224 258 S C -2.105 172.088 174.600 -0.679 0.000 1.426 258 S CA -0.738 57.090 58.200 -0.619 0.000 1.179 258 S CB 0.757 63.596 63.200 -0.601 0.000 1.042 258 S HN 0.580 nan 8.310 nan 0.000 0.479 259 P HA 0.135 nan 4.420 nan 0.000 0.255 259 P C 1.476 178.255 177.300 -0.867 0.000 1.248 259 P CA 0.153 62.295 63.100 -1.597 0.000 0.807 259 P CB 0.006 30.507 31.700 -1.998 0.000 1.150 260 G N 1.321 109.825 108.800 -0.494 0.000 2.442 260 G HA2 -0.277 3.683 3.960 0.001 0.000 0.219 260 G HA3 -0.277 3.683 3.960 0.001 0.000 0.219 260 G C 1.469 176.322 174.900 -0.079 0.000 1.141 260 G CA 0.445 45.444 45.100 -0.169 0.000 0.763 260 G HN 0.286 nan 8.290 nan 0.000 0.554 261 I N 1.251 121.761 120.570 -0.100 0.000 2.188 261 I HA -0.367 3.804 4.170 0.001 0.000 0.246 261 I C 1.533 177.671 176.117 0.034 0.000 1.033 261 I CA 2.780 64.068 61.300 -0.020 0.000 1.307 261 I CB 0.150 38.146 38.000 -0.007 0.000 1.005 261 I HN 0.500 nan 8.210 nan 0.000 0.421 262 D N -1.724 118.717 120.400 0.069 0.000 2.619 262 D HA 0.134 4.775 4.640 0.001 0.000 0.300 262 D C 0.288 176.664 176.300 0.127 0.000 1.502 262 D CA -0.408 53.656 54.000 0.106 0.000 0.865 262 D CB -1.003 39.871 40.800 0.124 0.000 1.343 262 D HN 0.327 nan 8.370 nan 0.000 0.447 263 I N 1.294 121.884 120.570 0.033 0.000 2.752 263 I HA 0.162 4.333 4.170 0.001 0.000 0.287 263 I C -0.169 175.801 176.117 -0.245 0.000 1.188 263 I CA 0.072 61.343 61.300 -0.048 0.000 1.427 263 I CB 0.343 38.125 38.000 -0.364 0.000 1.365 263 I HN -0.043 nan 8.210 nan 0.000 0.585 264 R N 5.829 126.228 120.500 -0.167 0.000 2.664 264 R HA 0.385 4.726 4.340 0.001 0.000 0.286 264 R C -0.529 175.633 176.300 -0.230 0.000 0.967 264 R CA -0.488 55.512 56.100 -0.166 0.000 0.933 264 R CB 1.234 31.550 30.300 0.027 0.000 1.146 264 R HN 0.537 nan 8.270 nan 0.000 0.468 265 F N -0.697 119.346 119.950 0.155 0.000 2.653 265 F HA 0.221 4.749 4.527 0.001 0.000 0.288 265 F C 0.244 176.104 175.800 0.100 0.000 1.121 265 F CA 0.079 58.161 58.000 0.137 0.000 1.384 265 F CB 0.610 39.675 39.000 0.109 0.000 1.115 265 F HN 0.334 nan 8.300 nan 0.000 0.599 266 D N -0.757 119.790 120.400 0.244 0.000 2.350 266 D HA 0.489 5.130 4.640 0.001 0.000 0.238 266 D C 0.741 177.109 176.300 0.113 0.000 0.989 266 D CA 0.482 54.576 54.000 0.157 0.000 0.921 266 D CB 1.665 42.541 40.800 0.127 0.000 1.297 266 D HN 0.211 nan 8.370 nan 0.000 0.490 267 G N 1.348 110.198 108.800 0.084 0.000 2.575 267 G HA2 -0.306 3.655 3.960 0.001 0.000 0.267 267 G HA3 -0.306 3.655 3.960 0.001 0.000 0.267 267 G C 0.539 175.481 174.900 0.070 0.000 1.264 267 G CA 0.393 45.532 45.100 0.066 0.000 0.935 267 G HN 0.515 nan 8.290 nan 0.000 0.568 268 D N 0.338 120.774 120.400 0.060 0.000 2.117 268 D HA 0.060 4.701 4.640 0.001 0.000 0.198 268 D C 2.807 179.150 176.300 0.073 0.000 0.982 268 D CA 2.089 56.124 54.000 0.058 0.000 0.828 268 D CB -0.753 40.074 40.800 0.044 0.000 0.967 268 D HN 0.837 nan 8.370 nan 0.000 0.464 269 A N 0.773 123.640 122.820 0.078 0.000 2.019 269 A HA -0.021 4.300 4.320 0.001 0.000 0.219 269 A C 2.309 179.966 177.584 0.121 0.000 1.164 269 A CA 1.963 54.055 52.037 0.093 0.000 0.644 269 A CB -0.835 18.215 19.000 0.083 0.000 0.805 269 A HN 0.312 nan 8.150 nan 0.000 0.449 270 G N -0.765 108.112 108.800 0.128 0.000 2.395 270 G HA2 -0.102 3.859 3.960 0.001 0.000 0.214 270 G HA3 -0.102 3.859 3.960 0.001 0.000 0.214 270 G C 1.448 176.465 174.900 0.195 0.000 1.177 270 G CA 1.033 46.232 45.100 0.165 0.000 0.794 270 G HN 0.489 nan 8.290 nan 0.000 0.532 271 E N 0.714 121.002 120.200 0.148 0.000 2.051 271 E HA -0.129 4.222 4.350 0.001 0.000 0.192 271 E C 2.275 178.966 176.600 0.152 0.000 0.991 271 E CA 1.532 58.022 56.400 0.150 0.000 0.799 271 E CB -0.279 29.476 29.700 0.091 0.000 0.748 271 E HN 0.612 nan 8.360 nan 0.000 0.449 272 E N -0.175 120.084 120.200 0.097 0.000 2.058 272 E HA -0.226 4.125 4.350 0.001 0.000 0.194 272 E C 1.365 178.005 176.600 0.066 0.000 0.997 272 E CA 1.635 58.047 56.400 0.020 0.000 0.801 272 E CB -0.107 29.615 29.700 0.036 0.000 0.746 272 E HN 0.196 nan 8.360 nan 0.000 0.450 273 D N -0.443 120.097 120.400 0.232 0.000 2.144 273 D HA -0.126 4.514 4.640 0.001 0.000 0.200 273 D C 1.521 178.072 176.300 0.418 0.000 0.978 273 D CA 0.632 54.862 54.000 0.383 0.000 0.833 273 D CB -0.282 40.748 40.800 0.383 0.000 0.961 273 D HN 0.226 nan 8.370 nan 0.000 0.470 274 F N 1.676 121.761 119.950 0.225 0.000 2.146 274 F HA -0.142 4.385 4.527 0.001 0.000 0.298 274 F C 1.865 177.778 175.800 0.188 0.000 1.096 274 F CA 1.075 59.211 58.000 0.227 0.000 1.275 274 F CB -0.154 38.959 39.000 0.189 0.000 1.008 274 F HN -0.143 nan 8.300 nan 0.000 0.480 275 N N -0.223 118.551 118.700 0.123 0.000 2.166 275 N HA -0.199 4.542 4.740 0.001 0.000 0.186 275 N C 1.867 177.320 175.510 -0.095 0.000 1.019 275 N CA 1.456 54.488 53.050 -0.030 0.000 0.856 275 N CB -0.825 37.643 38.487 -0.032 0.000 0.993 275 N HN 0.397 nan 8.380 nan 0.000 0.426 276 H N 0.897 119.963 119.070 -0.006 0.000 2.319 276 H HA -0.053 4.503 4.556 0.001 0.000 0.299 276 H C 2.156 177.465 175.328 -0.031 0.000 1.092 276 H CA 0.623 56.628 56.048 -0.072 0.000 1.302 276 H CB -0.474 29.172 29.762 -0.194 0.000 1.373 276 H HN 0.145 nan 8.280 nan 0.000 0.497 277 L N 0.687 122.043 121.223 0.221 0.000 2.046 277 L HA -0.172 4.168 4.340 0.001 0.000 0.208 277 L C 2.160 179.009 176.870 -0.034 0.000 1.077 277 L CA 1.148 56.099 54.840 0.185 0.000 0.747 277 L CB -0.401 41.722 42.059 0.107 0.000 0.896 277 L HN 0.161 nan 8.230 nan 0.000 0.432 278 I N 0.168 120.610 120.570 -0.213 0.000 2.113 278 I HA -0.290 3.881 4.170 0.001 0.000 0.238 278 I C 2.795 178.817 176.117 -0.157 0.000 1.070 278 I CA 2.040 63.171 61.300 -0.282 0.000 1.332 278 I CB -1.686 36.159 38.000 -0.258 0.000 1.044 278 I HN 0.393 nan 8.210 nan 0.000 0.402 279 T N -0.260 114.254 114.554 -0.067 0.000 2.788 279 T HA -0.240 4.111 4.350 0.001 0.000 0.268 279 T C 1.972 176.670 174.700 -0.003 0.000 1.044 279 T CA 1.787 63.878 62.100 -0.014 0.000 1.139 279 T CB -0.163 68.709 68.868 0.006 0.000 0.867 279 T HN 0.053 nan 8.240 nan 0.000 0.454 280 K N 1.949 122.347 120.400 -0.003 0.000 2.032 280 K HA 0.167 4.488 4.320 0.001 0.000 0.209 280 K C 2.449 179.035 176.600 -0.023 0.000 1.048 280 K CA 1.704 57.995 56.287 0.006 0.000 0.927 280 K CB -1.205 31.326 32.500 0.051 0.000 0.712 280 K HN 0.469 nan 8.250 nan 0.000 0.441 281 A N 0.415 123.141 122.820 -0.157 0.000 1.902 281 A HA -0.162 4.158 4.320 0.001 0.000 0.217 281 A C 2.145 179.695 177.584 -0.057 0.000 1.181 281 A CA 1.979 53.767 52.037 -0.415 0.000 0.623 281 A CB -0.713 17.553 19.000 -1.224 0.000 0.818 281 A HN 0.523 nan 8.150 nan 0.000 0.443 282 E N 0.884 121.123 120.200 0.065 0.000 2.110 282 E HA -0.165 4.185 4.350 0.001 0.000 0.193 282 E C 2.177 178.934 176.600 0.262 0.000 0.988 282 E CA 1.931 58.510 56.400 0.298 0.000 0.804 282 E CB -0.357 29.454 29.700 0.184 0.000 0.745 282 E HN 0.671 nan 8.360 nan 0.000 0.458 283 S N -0.215 115.576 115.700 0.152 0.000 2.368 283 S HA -0.158 4.313 4.470 0.001 0.000 0.225 283 S C 2.053 176.742 174.600 0.148 0.000 1.030 283 S CA 1.298 59.572 58.200 0.123 0.000 0.999 283 S CB -0.589 62.652 63.200 0.067 0.000 0.844 283 S HN 0.331 nan 8.310 nan 0.000 0.459 284 L N -0.517 120.816 121.223 0.183 0.000 2.109 284 L HA 0.084 4.425 4.340 0.001 0.000 0.207 284 L C 2.571 179.622 176.870 0.302 0.000 1.086 284 L CA 1.377 56.326 54.840 0.183 0.000 0.760 284 L CB -0.752 41.392 42.059 0.142 0.000 0.910 284 L HN 0.312 nan 8.230 nan 0.000 0.437 285 Y N 1.148 121.686 120.300 0.396 0.000 2.207 285 Y HA -0.299 4.252 4.550 0.001 0.000 0.287 285 Y C 1.952 177.964 175.900 0.187 0.000 1.156 285 Y CA 1.672 60.007 58.100 0.391 0.000 1.182 285 Y CB -0.087 38.652 38.460 0.465 0.000 0.979 285 Y HN 0.217 nan 8.280 nan 0.000 0.521 286 D N -0.378 120.197 120.400 0.292 0.000 2.363 286 D HA -0.061 4.580 4.640 0.001 0.000 0.220 286 D C 1.400 177.715 176.300 0.025 0.000 0.994 286 D CA 1.044 55.138 54.000 0.155 0.000 0.890 286 D CB -0.083 40.812 40.800 0.159 0.000 0.906 286 D HN 0.507 nan 8.370 nan 0.000 0.530 287 M N -1.668 117.928 119.600 -0.007 0.000 2.371 287 M HA 0.246 4.727 4.480 0.001 0.000 0.246 287 M C 1.154 177.381 176.300 -0.121 0.000 1.103 287 M CA 0.264 55.520 55.300 -0.073 0.000 1.010 287 M CB 1.376 33.916 32.600 -0.101 0.000 1.457 287 M HN 0.080 nan 8.290 nan 0.000 0.486 288 G N 0.275 108.989 108.800 -0.144 0.000 2.255 288 G HA2 -0.163 3.797 3.960 0.001 0.000 0.196 288 G HA3 -0.163 3.797 3.960 0.001 0.000 0.196 288 G C 0.041 174.851 174.900 -0.149 0.000 0.998 288 G CA -0.550 44.444 45.100 -0.176 0.000 0.656 288 G HN 0.201 nan 8.290 nan 0.000 0.490 289 V N 2.070 121.938 119.914 -0.077 0.000 2.585 289 V HA 0.401 4.521 4.120 0.001 0.000 0.296 289 V C 1.301 177.400 176.094 0.007 0.000 1.035 289 V CA 0.328 62.623 62.300 -0.009 0.000 1.084 289 V CB 1.280 33.109 31.823 0.011 0.000 0.953 289 V HN 0.325 nan 8.190 nan 0.000 0.483 290 R N 1.877 122.378 120.500 0.001 0.000 2.531 290 R HA 0.316 4.657 4.340 0.001 0.000 0.316 290 R C -0.158 176.239 176.300 0.163 0.000 0.955 290 R CA -0.035 56.155 56.100 0.150 0.000 1.120 290 R CB 1.100 31.464 30.300 0.106 0.000 1.361 290 R HN 0.628 nan 8.270 nan 0.000 0.534 291 S N 0.463 116.102 115.700 -0.103 0.000 2.538 291 S HA 0.720 5.191 4.470 0.001 0.000 0.288 291 S C -1.158 173.240 174.600 -0.336 0.000 1.108 291 S CA -0.431 57.765 58.200 -0.007 0.000 0.971 291 S CB 1.670 64.926 63.200 0.094 0.000 1.041 291 S HN 0.027 nan 8.310 nan 0.000 0.483 292 F N 0.945 121.095 119.950 0.333 0.000 2.578 292 F HA 0.761 5.289 4.527 0.001 0.000 0.311 292 F C 0.043 175.952 175.800 0.182 0.000 1.094 292 F CA -0.826 57.347 58.000 0.290 0.000 0.923 292 F CB 1.805 41.002 39.000 0.328 0.000 1.230 292 F HN 0.642 nan 8.300 nan 0.000 0.450 293 A N 3.400 126.396 122.820 0.294 0.000 2.343 293 A HA 0.859 5.180 4.320 0.001 0.000 0.308 293 A C -1.130 176.529 177.584 0.125 0.000 1.092 293 A CA -0.544 51.621 52.037 0.213 0.000 0.751 293 A CB 0.766 19.935 19.000 0.281 0.000 1.203 293 A HN 0.737 nan 8.150 nan 0.000 0.452 294 I N 2.888 123.475 120.570 0.029 0.000 2.355 294 I HA 0.265 4.436 4.170 0.001 0.000 0.288 294 I C -1.032 174.954 176.117 -0.219 0.000 0.999 294 I CA -0.273 60.895 61.300 -0.220 0.000 1.163 294 I CB 0.995 38.765 38.000 -0.384 0.000 1.316 294 I HN 0.667 nan 8.210 nan 0.000 0.454 295 Y N 4.361 124.312 120.300 -0.580 0.000 2.323 295 Y HA 0.137 4.687 4.550 0.001 0.000 0.331 295 Y C 0.015 175.510 175.900 -0.674 0.000 1.092 295 Y CA -0.685 57.128 58.100 -0.478 0.000 1.150 295 Y CB 1.515 39.784 38.460 -0.320 0.000 1.200 295 Y HN 0.639 nan 8.280 nan 0.000 0.472 296 W N 1.260 122.551 121.300 -0.015 0.000 2.818 296 W HA 0.071 4.732 4.660 0.001 0.000 0.403 296 W C 1.193 177.665 176.519 -0.077 0.000 0.991 296 W CA -0.420 56.861 57.345 -0.107 0.000 1.925 296 W CB 0.420 29.807 29.460 -0.122 0.000 1.166 296 W HN 0.597 nan 8.180 nan 0.000 0.605 297 D N 0.390 120.836 120.400 0.076 0.000 2.234 297 D HA -0.171 4.470 4.640 0.001 0.000 0.205 297 D C 1.023 177.370 176.300 0.078 0.000 0.962 297 D CA 1.570 55.612 54.000 0.071 0.000 0.855 297 D CB -0.449 40.241 40.800 -0.183 0.000 0.951 297 D HN 0.293 nan 8.370 nan 0.000 0.500 298 D N 0.870 121.294 120.400 0.040 0.000 2.369 298 D HA 0.039 4.679 4.640 0.001 0.000 0.211 298 D C 1.376 177.697 176.300 0.034 0.000 1.077 298 D CA -0.537 53.479 54.000 0.028 0.000 0.842 298 D CB -0.456 40.347 40.800 0.005 0.000 0.947 298 D HN 0.474 nan 8.370 nan 0.000 0.509 299 I N -1.357 119.253 120.570 0.067 0.000 2.648 299 I HA 0.073 4.243 4.170 0.001 0.000 0.284 299 I C 0.693 176.870 176.117 0.100 0.000 1.153 299 I CA -0.238 61.125 61.300 0.105 0.000 1.426 299 I CB 1.263 39.378 38.000 0.192 0.000 1.381 299 I HN -0.133 nan 8.210 nan 0.000 0.571 300 Q N 2.940 122.794 119.800 0.090 0.000 2.123 300 Q HA -0.108 4.233 4.340 0.001 0.000 0.199 300 Q C 0.772 176.819 176.000 0.078 0.000 0.966 300 Q CA 0.908 56.749 55.803 0.062 0.000 0.845 300 Q CB -0.016 28.752 28.738 0.051 0.000 0.907 300 Q HN 0.853 nan 8.270 nan 0.000 0.439 301 D N 0.952 121.433 120.400 0.135 0.000 2.364 301 D HA -0.093 4.548 4.640 0.001 0.000 0.236 301 D C -0.254 176.147 176.300 0.168 0.000 1.221 301 D CA 0.824 54.921 54.000 0.162 0.000 0.891 301 D CB 0.670 41.624 40.800 0.258 0.000 1.190 301 D HN -0.117 nan 8.370 nan 0.000 0.449 302 K N 0.541 121.004 120.400 0.105 0.000 3.350 302 K HA 0.120 4.440 4.320 0.001 0.000 0.167 302 K C -1.069 175.525 176.600 -0.010 0.000 1.058 302 K CA -0.378 55.947 56.287 0.063 0.000 0.783 302 K CB 0.284 32.772 32.500 -0.019 0.000 0.872 302 K HN 0.383 nan 8.250 nan 0.000 0.561 303 S N -0.235 115.288 115.700 -0.296 0.000 2.567 303 S HA 0.316 4.787 4.470 0.001 0.000 0.262 303 S C 1.228 175.307 174.600 -0.868 0.000 1.237 303 S CA -0.437 57.490 58.200 -0.455 0.000 1.093 303 S CB 1.373 64.362 63.200 -0.350 0.000 1.095 303 S HN 0.379 nan 8.310 nan 0.000 0.489 304 A N 3.699 126.080 122.820 -0.730 0.000 1.915 304 A HA -0.127 4.194 4.320 0.001 0.000 0.220 304 A C 2.412 179.691 177.584 -0.509 0.000 1.198 304 A CA 2.200 53.741 52.037 -0.826 0.000 0.647 304 A CB -1.450 16.969 19.000 -0.970 0.000 0.825 304 A HN 1.241 nan 8.150 nan 0.000 0.456 305 A N -0.739 121.820 122.820 -0.437 0.000 1.908 305 A HA -0.216 4.105 4.320 0.001 0.000 0.218 305 A C 2.144 179.512 177.584 -0.360 0.000 1.181 305 A CA 2.076 53.911 52.037 -0.337 0.000 0.627 305 A CB -0.445 18.401 19.000 -0.258 0.000 0.818 305 A HN 0.605 nan 8.150 nan 0.000 0.445 306 K N -1.254 118.843 120.400 -0.505 0.000 2.031 306 K HA -0.078 4.243 4.320 0.001 0.000 0.205 306 K C 1.906 178.175 176.600 -0.552 0.000 1.049 306 K CA 1.373 57.282 56.287 -0.630 0.000 0.939 306 K CB -0.410 31.384 32.500 -1.177 0.000 0.717 306 K HN 0.751 nan 8.250 nan 0.000 0.438 307 H N 0.052 118.583 119.070 -0.898 0.000 2.321 307 H HA -0.183 4.373 4.556 0.001 0.000 0.295 307 H C 2.133 177.163 175.328 -0.497 0.000 1.102 307 H CA 0.948 56.238 56.048 -1.263 0.000 1.266 307 H CB -0.058 28.905 29.762 -1.331 0.000 1.363 307 H HN 0.294 nan 8.280 nan 0.000 0.492 308 A N 1.432 124.109 122.820 -0.239 0.000 1.929 308 A HA -0.184 4.137 4.320 0.001 0.000 0.216 308 A C 2.403 179.921 177.584 -0.109 0.000 1.176 308 A CA 1.374 53.235 52.037 -0.293 0.000 0.628 308 A CB -0.432 18.237 19.000 -0.553 0.000 0.816 308 A HN 0.633 nan 8.150 nan 0.000 0.444 309 Q N -0.447 119.293 119.800 -0.100 0.000 2.167 309 Q HA -0.072 4.269 4.340 0.001 0.000 0.202 309 Q C 1.718 177.769 176.000 0.086 0.000 0.970 309 Q CA 1.709 57.493 55.803 -0.031 0.000 0.855 309 Q CB -0.618 28.078 28.738 -0.070 0.000 0.911 309 Q HN 0.310 nan 8.270 nan 0.000 0.438 310 V N 1.761 121.809 119.914 0.224 0.000 2.307 310 V HA -0.246 3.874 4.120 0.001 0.000 0.245 310 V C 2.393 178.797 176.094 0.516 0.000 1.045 310 V CA 1.549 64.124 62.300 0.458 0.000 1.024 310 V CB -0.532 31.719 31.823 0.713 0.000 0.651 310 V HN 0.315 nan 8.190 nan 0.000 0.449 311 L N 0.215 121.710 121.223 0.452 0.000 2.012 311 L HA -0.191 4.149 4.340 0.001 0.000 0.210 311 L C 2.436 179.508 176.870 0.336 0.000 1.073 311 L CA 1.673 56.755 54.840 0.403 0.000 0.748 311 L CB -0.836 41.440 42.059 0.363 0.000 0.891 311 L HN 0.360 nan 8.230 nan 0.000 0.431 312 N N -0.389 118.433 118.700 0.203 0.000 2.223 312 N HA -0.149 4.592 4.740 0.001 0.000 0.185 312 N C 1.933 177.552 175.510 0.182 0.000 1.016 312 N CA 0.910 54.048 53.050 0.146 0.000 0.863 312 N CB -0.261 38.253 38.487 0.045 0.000 0.983 312 N HN 0.229 nan 8.380 nan 0.000 0.429 313 R N -0.124 120.492 120.500 0.193 0.000 2.062 313 R HA -0.004 4.337 4.340 0.001 0.000 0.229 313 R C 2.005 178.584 176.300 0.466 0.000 1.128 313 R CA 0.601 56.784 56.100 0.138 0.000 0.960 313 R CB -0.626 29.493 30.300 -0.301 0.000 0.855 313 R HN 0.206 nan 8.270 nan 0.000 0.432 314 F N 1.991 122.264 119.950 0.539 0.000 2.095 314 F HA -0.282 4.246 4.527 0.001 0.000 0.298 314 F C 2.149 178.137 175.800 0.314 0.000 1.104 314 F CA 2.094 60.352 58.000 0.430 0.000 1.232 314 F CB -0.386 38.782 39.000 0.280 0.000 0.987 314 F HN 0.096 nan 8.300 nan 0.000 0.475 315 N N 0.057 119.035 118.700 0.462 0.000 2.149 315 N HA -0.223 4.518 4.740 0.001 0.000 0.188 315 N C 1.720 177.339 175.510 0.183 0.000 1.019 315 N CA 1.770 55.011 53.050 0.318 0.000 0.857 315 N CB -0.169 38.479 38.487 0.268 0.000 0.997 315 N HN 0.349 nan 8.380 nan 0.000 0.426 316 E N 0.162 120.459 120.200 0.162 0.000 2.042 316 E HA 0.047 4.398 4.350 0.001 0.000 0.189 316 E C 1.352 177.996 176.600 0.072 0.000 0.974 316 E CA 0.955 57.414 56.400 0.098 0.000 0.806 316 E CB 0.031 29.781 29.700 0.083 0.000 0.769 316 E HN 0.413 nan 8.360 nan 0.000 0.451 317 E N -1.467 118.801 120.200 0.114 0.000 2.481 317 E HA -0.021 4.330 4.350 0.001 0.000 0.195 317 E C 0.786 177.399 176.600 0.022 0.000 1.047 317 E CA 0.228 56.687 56.400 0.097 0.000 0.867 317 E CB 0.321 30.159 29.700 0.230 0.000 0.858 317 E HN 0.218 nan 8.360 nan 0.000 0.513 318 F N -1.030 118.758 119.950 -0.270 0.000 2.102 318 F HA 0.026 4.553 4.527 0.001 0.000 0.254 318 F C 1.775 177.407 175.800 -0.280 0.000 0.975 318 F CA 0.102 57.830 58.000 -0.453 0.000 1.176 318 F CB -0.012 38.360 39.000 -1.046 0.000 1.358 318 F HN -0.268 nan 8.300 nan 0.000 0.728 319 V N 1.676 121.592 119.914 0.005 0.000 2.255 319 V HA -0.302 3.819 4.120 0.001 0.000 0.247 319 V C 2.314 178.403 176.094 -0.008 0.000 1.051 319 V CA 2.557 64.909 62.300 0.088 0.000 1.018 319 V CB -0.731 31.265 31.823 0.288 0.000 0.641 319 V HN 0.307 nan 8.190 nan 0.000 0.445 320 K N -0.118 120.289 120.400 0.012 0.000 2.155 320 K HA -0.041 4.280 4.320 0.001 0.000 0.203 320 K C 2.202 178.771 176.600 -0.051 0.000 1.052 320 K CA 1.085 57.376 56.287 0.006 0.000 0.948 320 K CB -0.247 32.273 32.500 0.032 0.000 0.728 320 K HN 0.416 nan 8.250 nan 0.000 0.448 321 A N 1.676 124.433 122.820 -0.105 0.000 1.908 321 A HA -0.181 4.140 4.320 0.001 0.000 0.218 321 A C 1.833 179.294 177.584 -0.205 0.000 1.181 321 A CA 1.582 53.530 52.037 -0.149 0.000 0.627 321 A CB -0.260 18.630 19.000 -0.183 0.000 0.818 321 A HN 0.250 nan 8.150 nan 0.000 0.445 322 K N -2.376 117.838 120.400 -0.310 0.000 2.243 322 K HA 0.151 4.471 4.320 0.001 0.000 0.201 322 K C 1.465 177.999 176.600 -0.110 0.000 1.051 322 K CA 0.706 56.802 56.287 -0.319 0.000 0.970 322 K CB -0.050 32.085 32.500 -0.608 0.000 0.755 322 K HN 0.686 nan 8.250 nan 0.000 0.465 323 G N 2.436 111.204 108.800 -0.053 0.000 2.253 323 G HA2 -0.263 3.698 3.960 0.001 0.000 0.251 323 G HA3 -0.263 3.698 3.960 0.001 0.000 0.251 323 G C 0.431 175.366 174.900 0.057 0.000 0.998 323 G CA 0.826 45.931 45.100 0.009 0.000 0.621 323 G HN 0.512 nan 8.290 nan 0.000 0.524 324 D N -0.043 120.413 120.400 0.094 0.000 2.540 324 D HA 0.319 4.960 4.640 0.001 0.000 0.229 324 D C 0.480 176.899 176.300 0.199 0.000 1.250 324 D CA 0.006 54.087 54.000 0.135 0.000 0.817 324 D CB -0.050 40.827 40.800 0.127 0.000 1.060 324 D HN 0.350 nan 8.370 nan 0.000 0.508 325 V N 1.817 121.868 119.914 0.229 0.000 2.530 325 V HA 0.125 4.245 4.120 0.001 0.000 0.282 325 V C 0.881 177.144 176.094 0.283 0.000 1.048 325 V CA -0.577 61.922 62.300 0.332 0.000 0.997 325 V CB 1.185 33.267 31.823 0.432 0.000 0.987 325 V HN 0.010 nan 8.190 nan 0.000 0.477 326 K N 4.608 125.183 120.400 0.291 0.000 2.286 326 K HA 0.198 4.519 4.320 0.001 0.000 0.256 326 K C -2.274 174.504 176.600 0.296 0.000 0.999 326 K CA -1.680 54.764 56.287 0.262 0.000 0.908 326 K CB -0.295 32.356 32.500 0.252 0.000 0.981 326 K HN 0.377 nan 8.250 nan 0.000 0.500 327 P HA -0.066 nan 4.420 nan 0.000 0.260 327 P C 0.107 177.577 177.300 0.283 0.000 1.172 327 P CA 0.191 63.441 63.100 0.251 0.000 0.760 327 P CB 0.300 32.130 31.700 0.217 0.000 0.773 328 L N 4.402 125.810 121.223 0.308 0.000 2.559 328 L HA 0.034 4.374 4.340 0.001 0.000 0.282 328 L C 0.214 177.204 176.870 0.200 0.000 1.232 328 L CA 0.496 55.527 54.840 0.319 0.000 0.885 328 L CB 0.050 42.318 42.059 0.348 0.000 1.131 328 L HN 0.317 nan 8.230 nan 0.000 0.498 329 I N 3.597 124.268 120.570 0.168 0.000 2.441 329 I HA 0.337 4.508 4.170 0.001 0.000 0.295 329 I C 0.106 176.273 176.117 0.084 0.000 0.994 329 I CA -0.122 61.205 61.300 0.045 0.000 1.144 329 I CB 1.986 39.970 38.000 -0.027 0.000 1.314 329 I HN 0.486 nan 8.210 nan 0.000 0.445 330 T N 4.713 119.309 114.554 0.070 0.000 2.903 330 T HA 0.636 4.987 4.350 0.001 0.000 0.299 330 T C -1.353 173.369 174.700 0.037 0.000 1.093 330 T CA -0.450 61.730 62.100 0.133 0.000 1.002 330 T CB 1.618 70.718 68.868 0.386 0.000 1.127 330 T HN 0.208 nan 8.240 nan 0.000 0.488 331 V N 6.532 126.420 119.914 -0.044 0.000 2.350 331 V HA 0.449 4.570 4.120 0.001 0.000 0.285 331 V C -2.174 173.941 176.094 0.035 0.000 1.014 331 V CA -1.746 60.462 62.300 -0.154 0.000 0.831 331 V CB 1.344 32.822 31.823 -0.575 0.000 1.000 331 V HN 0.731 nan 8.190 nan 0.000 0.433 332 P HA 0.265 nan 4.420 nan 0.000 0.275 332 P C 1.013 178.371 177.300 0.096 0.000 1.266 332 P CA -0.170 62.882 63.100 -0.079 0.000 0.793 332 P CB 0.602 31.995 31.700 -0.511 0.000 1.074 333 T N -1.637 112.922 114.554 0.008 0.000 2.746 333 T HA -0.098 4.253 4.350 0.001 0.000 0.267 333 T C 0.321 174.874 174.700 -0.246 0.000 1.039 333 T CA 1.423 63.425 62.100 -0.164 0.000 1.142 333 T CB -0.468 68.113 68.868 -0.477 0.000 0.866 333 T HN 0.489 nan 8.240 nan 0.000 0.444 334 E N 1.128 121.114 120.200 -0.356 0.000 2.081 334 E HA 0.274 4.625 4.350 0.001 0.000 0.281 334 E C -0.489 176.077 176.600 -0.057 0.000 0.986 334 E CA -0.372 55.867 56.400 -0.267 0.000 0.796 334 E CB 0.562 30.167 29.700 -0.158 0.000 1.085 334 E HN 0.710 nan 8.360 nan 0.000 0.398 335 Y N 0.580 120.852 120.300 -0.047 0.000 2.672 335 Y HA 0.261 4.812 4.550 0.001 0.000 0.252 335 Y C -0.443 175.514 175.900 0.094 0.000 1.132 335 Y CA -0.955 57.151 58.100 0.009 0.000 1.228 335 Y CB 0.260 38.644 38.460 -0.128 0.000 1.310 335 Y HN 0.328 nan 8.280 nan 0.000 0.549 336 D N -1.363 119.011 120.400 -0.044 0.000 2.490 336 D HA 0.315 4.956 4.640 0.001 0.000 0.232 336 D C 0.485 176.878 176.300 0.155 0.000 1.053 336 D CA -0.645 53.426 54.000 0.119 0.000 0.914 336 D CB 2.084 42.868 40.800 -0.027 0.000 1.431 336 D HN -0.068 nan 8.370 nan 0.000 0.483 337 T N 0.570 115.284 114.554 0.267 0.000 2.833 337 T HA -0.043 4.308 4.350 0.001 0.000 0.269 337 T C 1.939 176.686 174.700 0.078 0.000 1.054 337 T CA 1.325 63.543 62.100 0.196 0.000 1.135 337 T CB -0.582 68.424 68.868 0.231 0.000 0.869 337 T HN 0.680 nan 8.240 nan 0.000 0.466 338 G N 1.101 109.927 108.800 0.044 0.000 2.418 338 G HA2 -0.049 3.912 3.960 0.001 0.000 0.217 338 G HA3 -0.049 3.912 3.960 0.001 0.000 0.217 338 G C 1.728 176.602 174.900 -0.043 0.000 1.158 338 G CA 0.816 45.914 45.100 -0.003 0.000 0.771 338 G HN 0.603 nan 8.290 nan 0.000 0.545 339 A N -0.032 122.736 122.820 -0.086 0.000 2.072 339 A HA 0.338 4.659 4.320 0.001 0.000 0.216 339 A C 2.320 179.859 177.584 -0.076 0.000 1.156 339 A CA 1.131 53.088 52.037 -0.134 0.000 0.701 339 A CB -0.131 18.706 19.000 -0.271 0.000 0.816 339 A HN 0.381 nan 8.150 nan 0.000 0.458 340 M N -0.987 118.605 119.600 -0.015 0.000 2.476 340 M HA 0.134 4.615 4.480 0.001 0.000 0.262 340 M C -0.411 175.902 176.300 0.022 0.000 1.111 340 M CA 0.629 55.950 55.300 0.035 0.000 1.127 340 M CB 0.567 33.227 32.600 0.099 0.000 1.376 340 M HN 0.035 nan 8.290 nan 0.000 0.465 341 V N -0.583 119.337 119.914 0.011 0.000 2.789 341 V HA 0.473 4.594 4.120 0.001 0.000 0.311 341 V C -0.807 175.283 176.094 -0.006 0.000 1.073 341 V CA -0.743 61.557 62.300 0.001 0.000 0.921 341 V CB 2.066 33.893 31.823 0.007 0.000 1.009 341 V HN 0.088 nan 8.190 nan 0.000 0.426 342 S N 3.240 118.932 115.700 -0.012 0.000 2.532 342 S HA 0.487 4.958 4.470 0.001 0.000 0.299 342 S C 0.136 174.729 174.600 -0.013 0.000 1.105 342 S CA -0.551 57.641 58.200 -0.013 0.000 1.018 342 S CB 0.698 63.888 63.200 -0.017 0.000 1.021 342 S HN 0.851 nan 8.310 nan 0.000 0.483 343 N N 2.711 121.405 118.700 -0.010 0.000 2.708 343 N HA -0.211 4.530 4.740 0.001 0.000 0.251 343 N C 0.882 176.385 175.510 -0.012 0.000 1.017 343 N CA 1.556 54.600 53.050 -0.010 0.000 0.742 343 N CB -1.519 36.961 38.487 -0.012 0.000 0.943 343 N HN 1.419 nan 8.380 nan 0.000 0.539 344 G N -1.828 106.966 108.800 -0.011 0.000 2.179 344 G HA2 -0.323 3.638 3.960 0.001 0.000 0.260 344 G HA3 -0.323 3.638 3.960 0.001 0.000 0.260 344 G C -0.168 174.718 174.900 -0.024 0.000 0.977 344 G CA 0.686 45.777 45.100 -0.015 0.000 0.641 344 G HN 0.489 nan 8.290 nan 0.000 0.533 345 Q N 0.343 120.128 119.800 -0.025 0.000 2.387 345 Q HA 0.504 4.845 4.340 0.001 0.000 0.273 345 Q C -2.664 173.314 176.000 -0.036 0.000 1.089 345 Q CA -2.098 53.684 55.803 -0.034 0.000 0.824 345 Q CB 2.413 31.131 28.738 -0.034 0.000 1.367 345 Q HN 0.242 nan 8.270 nan 0.000 0.443 346 P HA 0.054 nan 4.420 nan 0.000 0.268 346 P C -0.216 177.065 177.300 -0.033 0.000 1.205 346 P CA 0.106 63.178 63.100 -0.048 0.000 0.771 346 P CB 0.794 32.441 31.700 -0.088 0.000 0.858 347 R N 1.605 122.098 120.500 -0.012 0.000 2.801 347 R HA 0.211 4.552 4.340 0.001 0.000 0.273 347 R C 1.785 178.086 176.300 0.002 0.000 1.080 347 R CA -0.075 56.024 56.100 -0.002 0.000 1.197 347 R CB -0.164 30.142 30.300 0.010 0.000 1.109 347 R HN 0.475 nan 8.270 nan 0.000 0.535 348 A N 1.326 124.147 122.820 0.002 0.000 1.892 348 A HA -0.262 4.059 4.320 0.001 0.000 0.218 348 A C 2.049 179.629 177.584 -0.007 0.000 1.188 348 A CA 1.728 53.757 52.037 -0.015 0.000 0.631 348 A CB -0.876 18.114 19.000 -0.016 0.000 0.822 348 A HN 0.882 nan 8.150 nan 0.000 0.447 349 Y N 0.914 121.167 120.300 -0.078 0.000 2.097 349 Y HA -0.227 4.324 4.550 0.001 0.000 0.282 349 Y C 2.714 178.588 175.900 -0.042 0.000 1.152 349 Y CA 2.580 60.630 58.100 -0.083 0.000 1.136 349 Y CB -0.641 37.759 38.460 -0.099 0.000 0.975 349 Y HN 0.301 nan 8.280 nan 0.000 0.498 350 T N 1.012 115.659 114.554 0.155 0.000 2.746 350 T HA -0.208 4.142 4.350 0.001 0.000 0.267 350 T C 1.924 176.545 174.700 -0.131 0.000 1.039 350 T CA 1.608 63.744 62.100 0.060 0.000 1.142 350 T CB -0.359 68.562 68.868 0.087 0.000 0.866 350 T HN 0.347 nan 8.240 nan 0.000 0.444 351 R N 0.589 121.015 120.500 -0.123 0.000 2.083 351 R HA -0.078 4.262 4.340 0.001 0.000 0.237 351 R C 2.352 178.544 176.300 -0.180 0.000 1.137 351 R CA 1.580 57.585 56.100 -0.159 0.000 0.951 351 R CB -0.467 29.765 30.300 -0.112 0.000 0.851 351 R HN 0.395 nan 8.270 nan 0.000 0.434 352 I N -0.099 120.361 120.570 -0.184 0.000 2.202 352 I HA -0.255 3.916 4.170 0.001 0.000 0.242 352 I C 2.212 178.194 176.117 -0.225 0.000 1.091 352 I CA 1.121 62.295 61.300 -0.209 0.000 1.368 352 I CB -0.351 37.510 38.000 -0.231 0.000 1.058 352 I HN 0.162 nan 8.210 nan 0.000 0.410 353 F N 1.658 121.349 119.950 -0.431 0.000 2.102 353 F HA -0.255 4.273 4.527 0.001 0.000 0.298 353 F C 2.515 178.207 175.800 -0.179 0.000 1.105 353 F CA 1.580 59.374 58.000 -0.344 0.000 1.239 353 F CB -0.282 38.492 39.000 -0.377 0.000 0.991 353 F HN 0.006 nan 8.300 nan 0.000 0.474 354 A N 0.341 123.057 122.820 -0.172 0.000 1.902 354 A HA -0.248 4.073 4.320 0.001 0.000 0.217 354 A C 2.119 179.571 177.584 -0.220 0.000 1.181 354 A CA 1.829 53.627 52.037 -0.398 0.000 0.623 354 A CB -1.054 17.439 19.000 -0.846 0.000 0.818 354 A HN 0.661 nan 8.150 nan 0.000 0.443 355 E N -1.099 118.976 120.200 -0.207 0.000 2.358 355 E HA -0.077 4.274 4.350 0.001 0.000 0.195 355 E C 1.362 177.870 176.600 -0.153 0.000 1.010 355 E CA 1.437 57.744 56.400 -0.156 0.000 0.856 355 E CB -0.310 29.306 29.700 -0.139 0.000 0.795 355 E HN 0.460 nan 8.360 nan 0.000 0.504 356 T N 0.573 115.002 114.554 -0.209 0.000 3.021 356 T HA 0.107 4.458 4.350 0.001 0.000 0.245 356 T C 0.749 175.308 174.700 -0.236 0.000 1.028 356 T CA 0.092 62.060 62.100 -0.220 0.000 1.139 356 T CB 0.375 69.086 68.868 -0.262 0.000 0.884 356 T HN 0.026 nan 8.240 nan 0.000 0.457 357 V N 3.387 123.094 119.914 -0.346 0.000 2.655 357 V HA 0.086 4.207 4.120 0.001 0.000 0.300 357 V C 0.176 176.207 176.094 -0.105 0.000 1.044 357 V CA -0.519 61.587 62.300 -0.323 0.000 1.095 357 V CB 0.703 32.169 31.823 -0.595 0.000 0.952 357 V HN 0.379 nan 8.190 nan 0.000 0.485 358 D N 7.374 127.751 120.400 -0.039 0.000 2.458 358 D HA 0.097 4.738 4.640 0.001 0.000 0.243 358 D C -1.596 174.734 176.300 0.049 0.000 1.146 358 D CA -1.198 52.812 54.000 0.017 0.000 0.877 358 D CB 1.875 42.704 40.800 0.049 0.000 1.176 358 D HN 0.375 nan 8.370 nan 0.000 0.461 359 P HA -0.183 nan 4.420 nan 0.000 0.218 359 P C 1.292 178.643 177.300 0.085 0.000 1.146 359 P CA 1.234 64.378 63.100 0.073 0.000 0.820 359 P CB 0.112 31.847 31.700 0.058 0.000 0.778 360 S N -1.688 114.064 115.700 0.088 0.000 2.461 360 S HA -0.015 4.456 4.470 0.001 0.000 0.228 360 S C 0.890 175.563 174.600 0.122 0.000 1.005 360 S CA 0.137 58.400 58.200 0.105 0.000 0.942 360 S CB -1.043 62.222 63.200 0.108 0.000 0.776 360 S HN 0.037 nan 8.310 nan 0.000 0.514 361 I N 2.942 123.584 120.570 0.119 0.000 2.471 361 I HA 0.146 4.317 4.170 0.001 0.000 0.286 361 I C 0.259 176.432 176.117 0.094 0.000 1.079 361 I CA -0.192 61.186 61.300 0.130 0.000 1.398 361 I CB 0.541 38.626 38.000 0.143 0.000 1.403 361 I HN 0.182 nan 8.210 nan 0.000 0.530 362 E N 5.998 126.234 120.200 0.060 0.000 2.290 362 E HA 0.221 4.572 4.350 0.001 0.000 0.277 362 E C -0.804 175.764 176.600 -0.053 0.000 1.035 362 E CA -0.194 56.182 56.400 -0.038 0.000 0.873 362 E CB 1.743 31.321 29.700 -0.204 0.000 1.029 362 E HN 0.252 nan 8.360 nan 0.000 0.419 363 V N 5.159 125.035 119.914 -0.064 0.000 2.409 363 V HA 0.275 4.396 4.120 0.001 0.000 0.291 363 V C 0.313 176.388 176.094 -0.032 0.000 1.020 363 V CA -0.589 61.669 62.300 -0.070 0.000 0.848 363 V CB 1.266 32.932 31.823 -0.261 0.000 0.990 363 V HN 0.585 nan 8.190 nan 0.000 0.430 364 M N 5.222 124.829 119.600 0.013 0.000 2.180 364 M HA 0.432 4.912 4.480 0.001 0.000 0.358 364 M C -0.575 175.889 176.300 0.274 0.000 1.233 364 M CA 0.019 55.399 55.300 0.135 0.000 1.114 364 M CB 0.907 33.559 32.600 0.087 0.000 1.594 364 M HN 0.889 nan 8.290 nan 0.000 0.467 365 W N 2.547 123.893 121.300 0.077 0.000 2.962 365 W HA 0.557 5.218 4.660 0.001 0.000 0.341 365 W C 0.100 176.751 176.519 0.220 0.000 1.155 365 W CA -0.726 56.697 57.345 0.128 0.000 1.165 365 W CB 0.988 30.514 29.460 0.109 0.000 1.435 365 W HN 0.698 nan 8.180 nan 0.000 0.546 366 T N 0.486 114.921 114.554 -0.199 0.000 3.086 366 T HA 0.502 4.852 4.350 0.001 0.000 0.250 366 T C 0.810 175.297 174.700 -0.354 0.000 1.074 366 T CA 0.556 62.546 62.100 -0.184 0.000 0.988 366 T CB -0.439 68.427 68.868 -0.004 0.000 0.988 366 T HN 1.850 nan 8.240 nan 0.000 0.530 367 G N 1.988 110.181 108.800 -1.012 0.000 2.526 367 G HA2 -0.060 3.901 3.960 0.001 0.000 0.250 367 G HA3 -0.060 3.901 3.960 0.001 0.000 0.250 367 G C -2.484 172.508 174.900 0.152 0.000 1.289 367 G CA -0.398 44.495 45.100 -0.345 0.000 0.947 367 G HN 0.058 nan 8.290 nan 0.000 0.517 368 P HA 0.175 nan 4.420 nan 0.000 0.221 368 P C 1.114 178.494 177.300 0.134 0.000 1.145 368 P CA 2.362 65.588 63.100 0.211 0.000 0.795 368 P CB 0.003 31.806 31.700 0.171 0.000 0.775 369 G N -2.522 106.339 108.800 0.101 0.000 2.727 369 G HA2 0.345 4.306 3.960 0.001 0.000 0.289 369 G HA3 0.345 4.306 3.960 0.001 0.000 0.289 369 G C 0.505 175.435 174.900 0.050 0.000 1.418 369 G CA -0.426 44.711 45.100 0.062 0.000 0.818 369 G HN -0.219 nan 8.290 nan 0.000 0.486 370 V N -0.725 119.229 119.914 0.067 0.000 2.323 370 V HA 0.039 4.160 4.120 0.001 0.000 0.244 370 V C 0.824 176.941 176.094 0.039 0.000 1.041 370 V CA 1.133 63.494 62.300 0.102 0.000 1.025 370 V CB -0.189 31.741 31.823 0.178 0.000 0.656 370 V HN 0.340 nan 8.190 nan 0.000 0.451 371 V N 0.029 119.946 119.914 0.005 0.000 2.409 371 V HA 0.608 4.729 4.120 0.001 0.000 0.290 371 V C -0.404 175.568 176.094 -0.202 0.000 1.017 371 V CA -0.090 62.067 62.300 -0.238 0.000 0.841 371 V CB 1.345 32.822 31.823 -0.577 0.000 1.003 371 V HN 0.395 nan 8.190 nan 0.000 0.426 372 T N 2.599 117.043 114.554 -0.184 0.000 2.894 372 T HA 0.320 4.671 4.350 0.001 0.000 0.309 372 T C 0.748 175.476 174.700 0.047 0.000 1.208 372 T CA -0.507 61.570 62.100 -0.039 0.000 1.016 372 T CB 1.787 70.687 68.868 0.053 0.000 1.192 372 T HN 0.528 nan 8.240 nan 0.000 0.491 373 N N 1.661 120.411 118.700 0.083 0.000 2.104 373 N HA -0.024 4.716 4.740 0.001 0.000 0.190 373 N C 0.428 176.077 175.510 0.231 0.000 1.024 373 N CA 1.333 54.460 53.050 0.129 0.000 0.853 373 N CB 0.024 38.559 38.487 0.079 0.000 1.008 373 N HN 0.825 nan 8.380 nan 0.000 0.424 374 E N -0.923 119.422 120.200 0.243 0.000 2.430 374 E HA 0.461 4.812 4.350 0.001 0.000 0.279 374 E C -1.118 175.576 176.600 0.157 0.000 1.003 374 E CA -0.646 55.848 56.400 0.156 0.000 0.801 374 E CB 1.568 31.283 29.700 0.026 0.000 1.313 374 E HN -0.117 nan 8.360 nan 0.000 0.459 375 I N 1.919 122.477 120.570 -0.021 0.000 2.460 375 I HA 0.281 4.452 4.170 0.001 0.000 0.277 375 I C -2.270 173.882 176.117 0.057 0.000 1.057 375 I CA -2.215 59.114 61.300 0.048 0.000 1.179 375 I CB 1.046 39.043 38.000 -0.005 0.000 1.329 375 I HN 0.235 nan 8.210 nan 0.000 0.478 376 P HA 0.012 nan 4.420 nan 0.000 0.272 376 P C 0.842 178.218 177.300 0.128 0.000 1.230 376 P CA -0.452 62.699 63.100 0.084 0.000 0.788 376 P CB 1.510 33.255 31.700 0.076 0.000 0.949 377 L N 2.667 123.967 121.223 0.128 0.000 2.043 377 L HA -0.256 4.085 4.340 0.001 0.000 0.212 377 L C 2.550 179.487 176.870 0.111 0.000 1.075 377 L CA 2.756 57.701 54.840 0.175 0.000 0.752 377 L CB -1.540 40.632 42.059 0.187 0.000 0.891 377 L HN 0.509 nan 8.230 nan 0.000 0.432 378 S N -1.781 113.963 115.700 0.073 0.000 2.382 378 S HA -0.255 4.216 4.470 0.001 0.000 0.228 378 S C 1.843 176.443 174.600 -0.000 0.000 1.027 378 S CA 1.287 59.499 58.200 0.020 0.000 0.991 378 S CB -0.902 62.318 63.200 0.033 0.000 0.823 378 S HN 0.607 nan 8.310 nan 0.000 0.469 379 D N 2.183 122.629 120.400 0.076 0.000 2.097 379 D HA -0.026 4.615 4.640 0.001 0.000 0.195 379 D C 2.102 178.457 176.300 0.091 0.000 0.989 379 D CA 1.541 55.621 54.000 0.133 0.000 0.827 379 D CB -0.562 40.398 40.800 0.268 0.000 0.966 379 D HN 0.495 nan 8.370 nan 0.000 0.456 380 A N 0.040 122.948 122.820 0.146 0.000 1.930 380 A HA -0.215 4.106 4.320 0.001 0.000 0.217 380 A C 2.162 179.495 177.584 -0.419 0.000 1.175 380 A CA 1.774 53.826 52.037 0.026 0.000 0.627 380 A CB -0.826 18.374 19.000 0.334 0.000 0.815 380 A HN 0.431 nan 8.150 nan 0.000 0.443 381 Q N -0.753 118.661 119.800 -0.643 0.000 2.050 381 Q HA -0.198 4.143 4.340 0.001 0.000 0.202 381 Q C 2.012 177.706 176.000 -0.510 0.000 0.980 381 Q CA 1.779 56.928 55.803 -1.089 0.000 0.840 381 Q CB -0.291 28.037 28.738 -0.683 0.000 0.898 381 Q HN 0.518 nan 8.270 nan 0.000 0.424 382 L N 0.821 121.871 121.223 -0.289 0.000 1.971 382 L HA -0.241 4.100 4.340 0.001 0.000 0.215 382 L C 2.197 178.949 176.870 -0.196 0.000 1.072 382 L CA 1.789 56.523 54.840 -0.178 0.000 0.758 382 L CB -0.633 41.368 42.059 -0.096 0.000 0.889 382 L HN 0.350 nan 8.230 nan 0.000 0.433 383 I N -1.197 119.206 120.570 -0.278 0.000 2.202 383 I HA -0.216 3.954 4.170 0.001 0.000 0.242 383 I C 2.715 178.702 176.117 -0.216 0.000 1.091 383 I CA 1.611 62.712 61.300 -0.331 0.000 1.368 383 I CB -1.522 35.974 38.000 -0.841 0.000 1.058 383 I HN 0.382 nan 8.210 nan 0.000 0.410 384 S N 0.999 116.532 115.700 -0.278 0.000 2.374 384 S HA -0.160 4.311 4.470 0.001 0.000 0.227 384 S C 2.131 176.712 174.600 -0.031 0.000 1.037 384 S CA 1.800 59.937 58.200 -0.105 0.000 1.024 384 S CB -0.581 62.583 63.200 -0.061 0.000 0.861 384 S HN 0.556 nan 8.310 nan 0.000 0.456 385 G N 0.905 109.644 108.800 -0.103 0.000 2.402 385 G HA2 -0.084 3.877 3.960 0.001 0.000 0.216 385 G HA3 -0.084 3.877 3.960 0.001 0.000 0.216 385 G C 1.404 176.276 174.900 -0.047 0.000 1.162 385 G CA 0.802 45.866 45.100 -0.059 0.000 0.777 385 G HN 0.558 nan 8.290 nan 0.000 0.539 386 I N -0.893 119.635 120.570 -0.069 0.000 2.179 386 I HA -0.147 4.024 4.170 0.001 0.000 0.242 386 I C 2.127 178.158 176.117 -0.144 0.000 1.088 386 I CA 1.037 62.268 61.300 -0.113 0.000 1.357 386 I CB -0.112 37.806 38.000 -0.136 0.000 1.051 386 I HN 0.137 nan 8.210 nan 0.000 0.409 387 Y N 0.865 121.132 120.300 -0.057 0.000 2.529 387 Y HA 0.035 4.586 4.550 0.001 0.000 0.290 387 Y C 0.646 176.542 175.900 -0.008 0.000 1.177 387 Y CA -0.074 58.016 58.100 -0.018 0.000 1.305 387 Y CB -0.216 38.241 38.460 -0.005 0.000 1.047 387 Y HN 0.193 nan 8.280 nan 0.000 0.522 388 N N 1.243 120.001 118.700 0.096 0.000 2.727 388 N HA -0.232 4.509 4.740 0.001 0.000 0.249 388 N C -1.005 174.565 175.510 0.100 0.000 1.048 388 N CA 1.302 54.397 53.050 0.074 0.000 0.714 388 N CB -1.019 37.492 38.487 0.040 0.000 0.959 388 N HN 0.515 nan 8.380 nan 0.000 0.544 389 R N -2.403 118.169 120.500 0.120 0.000 2.780 389 R HA 0.348 4.689 4.340 0.001 0.000 0.280 389 R C -1.057 175.319 176.300 0.127 0.000 1.016 389 R CA -0.899 55.272 56.100 0.118 0.000 0.854 389 R CB 0.047 30.415 30.300 0.113 0.000 1.293 389 R HN 0.030 nan 8.270 nan 0.000 0.483 390 N N 0.701 119.479 118.700 0.131 0.000 2.483 390 N HA 0.178 4.919 4.740 0.001 0.000 0.264 390 N C -0.317 175.281 175.510 0.146 0.000 1.197 390 N CA 0.020 53.163 53.050 0.155 0.000 0.927 390 N CB 0.416 38.992 38.487 0.149 0.000 1.065 390 N HN 0.250 nan 8.380 nan 0.000 0.461 391 M N 1.510 121.214 119.600 0.174 0.000 2.371 391 M HA 0.471 4.951 4.480 0.001 0.000 0.301 391 M C 0.096 176.586 176.300 0.317 0.000 1.173 391 M CA -0.929 54.476 55.300 0.176 0.000 1.020 391 M CB 1.004 33.646 32.600 0.071 0.000 1.490 391 M HN 0.488 nan 8.290 nan 0.000 0.485 392 A N 1.390 124.385 122.820 0.292 0.000 2.304 392 A HA 0.666 4.987 4.320 0.001 0.000 0.323 392 A C -0.663 177.179 177.584 0.430 0.000 1.195 392 A CA -0.649 51.567 52.037 0.298 0.000 0.826 392 A CB 0.724 19.621 19.000 -0.172 0.000 1.184 392 A HN 0.565 nan 8.150 nan 0.000 0.496 393 V N 3.178 123.340 119.914 0.414 0.000 2.439 393 V HA 0.274 4.394 4.120 0.001 0.000 0.282 393 V C -0.547 175.645 176.094 0.164 0.000 1.039 393 V CA -0.472 61.959 62.300 0.218 0.000 0.913 393 V CB 1.379 33.324 31.823 0.204 0.000 0.983 393 V HN 0.878 nan 8.190 nan 0.000 0.460 394 W N 7.260 128.529 121.300 -0.051 0.000 2.298 394 W HA 0.313 4.974 4.660 0.001 0.000 0.327 394 W C -0.802 175.721 176.519 0.007 0.000 0.988 394 W CA -1.723 55.585 57.345 -0.062 0.000 1.448 394 W CB 1.103 30.497 29.460 -0.110 0.000 1.243 394 W HN 0.734 nan 8.180 nan 0.000 0.388 395 W N 8.475 129.749 121.300 -0.043 0.000 2.308 395 W HA 0.180 4.841 4.660 0.002 0.000 0.311 395 W C -0.112 176.504 176.519 0.161 0.000 1.088 395 W CA -0.456 56.898 57.345 0.016 0.000 1.309 395 W CB 0.834 30.227 29.460 -0.112 0.000 1.229 395 W HN 0.245 nan 8.180 nan 0.000 0.427 396 N N 6.225 124.764 118.700 -0.268 0.000 3.243 396 N HA -0.003 4.737 4.740 0.001 0.000 0.310 396 N C -1.573 173.789 175.510 -0.246 0.000 1.313 396 N CA 0.385 53.365 53.050 -0.116 0.000 1.204 396 N CB -0.315 38.178 38.487 0.010 0.000 1.483 396 N HN 0.414 nan 8.380 nan 0.000 0.553 397 Y N 0.368 120.445 120.300 -0.371 0.000 2.436 397 Y HA 0.296 4.846 4.550 0.001 0.000 0.327 397 Y C -2.341 173.615 175.900 0.095 0.000 1.138 397 Y CA -1.497 56.523 58.100 -0.133 0.000 1.042 397 Y CB 2.449 40.801 38.460 -0.181 0.000 1.302 397 Y HN 0.043 nan 8.280 nan 0.000 0.439 398 P HA 0.043 nan 4.420 nan 0.000 0.263 398 P C 0.046 177.164 177.300 -0.303 0.000 1.448 398 P CA 0.215 62.960 63.100 -0.591 0.000 0.983 398 P CB 0.413 31.918 31.700 -0.325 0.000 1.481 399 V N 2.360 122.220 119.914 -0.090 0.000 2.790 399 V HA -0.074 4.047 4.120 0.001 0.000 0.304 399 V C 1.167 177.198 176.094 -0.105 0.000 1.142 399 V CA 2.045 64.339 62.300 -0.010 0.000 1.282 399 V CB 0.085 32.020 31.823 0.187 0.000 0.877 399 V HN 0.426 nan 8.190 nan 0.000 0.504 400 T N 0.707 115.153 114.554 -0.180 0.000 3.200 400 T HA 0.188 4.539 4.350 0.001 0.000 0.284 400 T C 0.810 175.314 174.700 -0.327 0.000 1.009 400 T CA 0.261 62.134 62.100 -0.378 0.000 0.907 400 T CB -0.042 68.699 68.868 -0.211 0.000 1.120 400 T HN 0.842 nan 8.240 nan 0.000 0.534 401 D N 2.013 122.366 120.400 -0.078 0.000 2.218 401 D HA -0.206 4.435 4.640 0.001 0.000 0.204 401 D C 1.567 177.941 176.300 0.123 0.000 0.976 401 D CA 1.059 55.123 54.000 0.107 0.000 0.853 401 D CB -0.835 40.161 40.800 0.328 0.000 0.939 401 D HN 0.742 nan 8.370 nan 0.000 0.481 402 Y N -2.466 117.928 120.300 0.158 0.000 2.529 402 Y HA 0.342 4.893 4.550 0.001 0.000 0.290 402 Y C 0.119 176.128 175.900 0.182 0.000 1.177 402 Y CA -0.805 57.381 58.100 0.143 0.000 1.305 402 Y CB -0.219 38.245 38.460 0.007 0.000 1.047 402 Y HN -0.080 nan 8.280 nan 0.000 0.522 403 F N 1.392 121.077 119.950 -0.443 0.000 2.753 403 F HA 0.376 4.904 4.527 0.001 0.000 0.379 403 F C 0.496 176.129 175.800 -0.280 0.000 1.419 403 F CA -1.605 56.212 58.000 -0.305 0.000 1.113 403 F CB 0.220 39.018 39.000 -0.338 0.000 2.071 403 F HN -0.175 nan 8.300 nan 0.000 0.563 404 K N 0.226 120.473 120.400 -0.256 0.000 2.360 404 K HA -0.027 4.294 4.320 0.001 0.000 0.201 404 K C 2.004 178.431 176.600 -0.288 0.000 1.046 404 K CA 1.072 57.285 56.287 -0.123 0.000 0.945 404 K CB 0.014 32.605 32.500 0.151 0.000 0.750 404 K HN 0.624 nan 8.250 nan 0.000 0.464 405 G N 1.578 109.848 108.800 -0.883 0.000 2.484 405 G HA2 -0.174 3.787 3.960 0.001 0.000 0.218 405 G HA3 -0.174 3.787 3.960 0.001 0.000 0.218 405 G C 0.472 174.983 174.900 -0.648 0.000 1.130 405 G CA 0.127 44.443 45.100 -1.306 0.000 0.784 405 G HN 0.147 nan 8.290 nan 0.000 0.543 406 K N 0.185 120.269 120.400 -0.526 0.000 2.159 406 K HA 0.565 4.886 4.320 0.001 0.000 0.266 406 K C -0.588 175.940 176.600 -0.119 0.000 0.975 406 K CA -0.725 55.422 56.287 -0.234 0.000 0.865 406 K CB 0.980 33.453 32.500 -0.045 0.000 1.087 406 K HN -0.032 nan 8.250 nan 0.000 0.446 407 L N 2.991 124.166 121.223 -0.081 0.000 2.312 407 L HA 0.413 4.754 4.340 0.001 0.000 0.281 407 L C -0.040 176.796 176.870 -0.057 0.000 1.070 407 L CA -0.725 54.084 54.840 -0.053 0.000 0.805 407 L CB 1.627 43.657 42.059 -0.048 0.000 1.174 407 L HN 0.709 nan 8.230 nan 0.000 0.434 408 A N 4.369 127.139 122.820 -0.083 0.000 2.478 408 A HA 0.517 4.838 4.320 0.001 0.000 0.327 408 A C 0.067 177.637 177.584 -0.023 0.000 1.431 408 A CA -0.271 51.679 52.037 -0.145 0.000 1.014 408 A CB 0.097 18.789 19.000 -0.514 0.000 1.143 408 A HN 0.578 nan 8.150 nan 0.000 0.532 409 L N 2.663 123.952 121.223 0.110 0.000 3.014 409 L HA 0.294 4.635 4.340 0.001 0.000 0.263 409 L C 1.188 178.312 176.870 0.423 0.000 1.207 409 L CA 0.163 55.130 54.840 0.212 0.000 1.017 409 L CB 0.013 42.140 42.059 0.113 0.000 1.360 409 L HN 0.700 nan 8.230 nan 0.000 0.560 410 G N -0.067 109.002 108.800 0.447 0.000 2.531 410 G HA2 0.596 4.557 3.960 0.001 0.000 0.313 410 G HA3 0.596 4.557 3.960 0.001 0.000 0.313 410 G C -2.685 172.530 174.900 0.524 0.000 1.238 410 G CA -0.936 44.376 45.100 0.353 0.000 0.994 410 G HN -0.066 nan 8.290 nan 0.000 0.493 411 P HA 0.217 nan 4.420 nan 0.000 0.278 411 P C -0.044 177.443 177.300 0.311 0.000 1.258 411 P CA -0.640 62.744 63.100 0.473 0.000 0.811 411 P CB 0.771 32.783 31.700 0.520 0.000 1.063 412 M N 1.712 121.520 119.600 0.346 0.000 2.286 412 M HA -0.034 4.447 4.480 0.001 0.000 0.365 412 M C 0.584 176.933 176.300 0.082 0.000 1.443 412 M CA 1.407 56.772 55.300 0.108 0.000 0.951 412 M CB -1.589 30.864 32.600 -0.245 0.000 1.961 412 M HN 0.526 nan 8.290 nan 0.000 0.468 413 H N 0.755 119.709 119.070 -0.194 0.000 3.042 413 H HA 0.386 4.943 4.556 0.001 0.000 0.345 413 H C 0.614 175.812 175.328 -0.216 0.000 1.052 413 H CA 0.868 56.742 56.048 -0.290 0.000 1.311 413 H CB 1.340 30.829 29.762 -0.455 0.000 1.810 413 H HN 0.839 nan 8.280 nan 0.000 0.505 414 G N 3.949 112.316 108.800 -0.723 0.000 2.176 414 G HA2 -0.220 3.740 3.960 0.001 0.000 0.232 414 G HA3 -0.220 3.740 3.960 0.001 0.000 0.232 414 G C -0.131 174.561 174.900 -0.348 0.000 0.986 414 G CA 0.168 44.999 45.100 -0.447 0.000 0.643 414 G HN 0.499 nan 8.290 nan 0.000 0.522 415 L N 1.457 122.385 121.223 -0.491 0.000 2.265 415 L HA 0.442 4.783 4.340 0.001 0.000 0.288 415 L C 0.466 177.211 176.870 -0.209 0.000 1.058 415 L CA -0.786 53.737 54.840 -0.528 0.000 0.809 415 L CB 1.171 42.612 42.059 -1.031 0.000 1.179 415 L HN 0.211 nan 8.230 nan 0.000 0.429 416 D N 2.385 122.754 120.400 -0.051 0.000 2.455 416 D HA -0.029 4.612 4.640 0.001 0.000 0.241 416 D C 0.848 177.238 176.300 0.150 0.000 1.138 416 D CA 0.208 54.243 54.000 0.057 0.000 0.877 416 D CB 0.921 41.775 40.800 0.088 0.000 1.187 416 D HN 0.386 nan 8.370 nan 0.000 0.451 417 K N 2.255 122.743 120.400 0.146 0.000 2.555 417 K HA 0.034 4.355 4.320 0.001 0.000 0.193 417 K C 1.314 177.939 176.600 0.040 0.000 1.032 417 K CA 0.530 56.900 56.287 0.140 0.000 1.004 417 K CB 0.452 33.039 32.500 0.145 0.000 0.804 417 K HN 0.497 nan 8.250 nan 0.000 0.496 418 G N 0.419 109.251 108.800 0.054 0.000 3.324 418 G HA2 -0.016 3.945 3.960 0.001 0.000 0.251 418 G HA3 -0.016 3.945 3.960 0.001 0.000 0.251 418 G C 1.003 175.930 174.900 0.044 0.000 1.072 418 G CA -0.292 44.823 45.100 0.024 0.000 0.787 418 G HN 0.034 nan 8.290 nan 0.000 0.537 419 L N 2.121 123.395 121.223 0.086 0.000 2.197 419 L HA -0.171 4.170 4.340 0.001 0.000 0.215 419 L C 2.559 179.489 176.870 0.101 0.000 1.095 419 L CA 2.107 57.037 54.840 0.151 0.000 0.764 419 L CB -0.560 41.604 42.059 0.175 0.000 0.897 419 L HN 0.629 nan 8.230 nan 0.000 0.436 420 N N -1.670 117.020 118.700 -0.016 0.000 2.453 420 N HA -0.270 4.471 4.740 0.001 0.000 0.183 420 N C 1.766 177.239 175.510 -0.063 0.000 1.041 420 N CA 0.923 53.950 53.050 -0.040 0.000 0.900 420 N CB -0.488 37.937 38.487 -0.103 0.000 0.961 420 N HN 0.569 nan 8.380 nan 0.000 0.443 421 Q N -0.652 119.057 119.800 -0.152 0.000 2.291 421 Q HA -0.161 4.180 4.340 0.001 0.000 0.206 421 Q C 0.288 176.001 176.000 -0.478 0.000 0.976 421 Q CA 1.230 56.804 55.803 -0.381 0.000 0.875 421 Q CB 0.051 28.425 28.738 -0.607 0.000 0.927 421 Q HN 0.669 nan 8.270 nan 0.000 0.450 422 Y N -1.732 118.614 120.300 0.076 0.000 2.563 422 Y HA 0.372 4.923 4.550 0.002 0.000 0.250 422 Y C -0.626 175.352 175.900 0.129 0.000 1.126 422 Y CA -0.470 57.681 58.100 0.085 0.000 1.231 422 Y CB 1.518 40.023 38.460 0.076 0.000 1.288 422 Y HN -0.200 nan 8.280 nan 0.000 0.537 423 V N 1.248 121.319 119.914 0.262 0.000 2.733 423 V HA 0.256 4.377 4.120 0.001 0.000 0.306 423 V C -0.699 175.535 176.094 0.234 0.000 1.084 423 V CA -0.769 61.714 62.300 0.306 0.000 0.905 423 V CB 2.179 34.241 31.823 0.398 0.000 1.010 423 V HN 0.247 nan 8.190 nan 0.000 0.424 424 D N 1.878 122.441 120.400 0.272 0.000 2.513 424 D HA 0.218 4.859 4.640 0.001 0.000 0.222 424 D C -0.392 176.101 176.300 0.323 0.000 1.210 424 D CA -0.033 54.108 54.000 0.234 0.000 0.825 424 D CB 0.625 41.546 40.800 0.202 0.000 1.037 424 D HN 0.295 nan 8.370 nan 0.000 0.506 425 F N 0.816 120.881 119.950 0.192 0.000 2.722 425 F HA 0.439 4.966 4.527 0.001 0.000 0.336 425 F C -2.285 173.675 175.800 0.266 0.000 1.216 425 F CA -1.285 56.833 58.000 0.196 0.000 1.065 425 F CB 1.386 40.487 39.000 0.169 0.000 1.325 425 F HN -0.175 nan 8.300 nan 0.000 0.524 426 F N 5.920 125.956 119.950 0.143 0.000 2.539 426 F HA 0.674 5.202 4.527 0.002 0.000 0.328 426 F C -0.890 174.970 175.800 0.100 0.000 1.148 426 F CA -0.190 57.914 58.000 0.173 0.000 0.940 426 F CB 1.544 40.618 39.000 0.123 0.000 1.194 426 F HN 0.464 nan 8.300 nan 0.000 0.438 427 T N 3.393 117.649 114.554 -0.497 0.000 2.906 427 T HA 0.761 5.111 4.350 0.001 0.000 0.295 427 T C -0.819 173.533 174.700 -0.581 0.000 1.061 427 T CA -0.746 61.105 62.100 -0.413 0.000 1.000 427 T CB 1.424 70.181 68.868 -0.185 0.000 1.103 427 T HN 0.776 nan 8.240 nan 0.000 0.486 428 V N -0.108 119.617 119.914 -0.314 0.000 2.667 428 V HA 0.738 4.858 4.120 0.001 0.000 0.308 428 V C -0.444 175.564 176.094 -0.144 0.000 1.048 428 V CA -1.060 61.170 62.300 -0.117 0.000 0.928 428 V CB 1.585 33.503 31.823 0.159 0.000 1.004 428 V HN 0.925 nan 8.190 nan 0.000 0.444 429 N N 5.307 123.942 118.700 -0.108 0.000 2.420 429 N HA 0.552 5.293 4.740 0.001 0.000 0.249 429 N C -2.375 173.191 175.510 0.093 0.000 1.033 429 N CA -1.910 51.106 53.050 -0.056 0.000 0.944 429 N CB 1.464 39.993 38.487 0.070 0.000 1.113 429 N HN 0.663 nan 8.380 nan 0.000 0.502 430 P HA 0.262 nan 4.420 nan 0.000 0.297 430 P C -0.231 177.020 177.300 -0.082 0.000 1.307 430 P CA -0.467 62.718 63.100 0.142 0.000 0.773 430 P CB 1.198 33.121 31.700 0.372 0.000 1.265 431 M N 0.050 119.575 119.600 -0.124 0.000 2.247 431 M HA 0.120 4.601 4.480 0.001 0.000 0.326 431 M C 1.901 177.725 176.300 -0.795 0.000 1.134 431 M CA -0.053 55.036 55.300 -0.352 0.000 1.136 431 M CB 0.300 32.853 32.600 -0.078 0.000 1.454 431 M HN 0.472 nan 8.290 nan 0.000 0.467 432 E N 0.393 119.958 120.200 -1.059 0.000 2.267 432 E HA -0.173 4.177 4.350 0.001 0.000 0.197 432 E C -0.166 176.298 176.600 -0.227 0.000 0.998 432 E CA 1.117 57.024 56.400 -0.823 0.000 0.830 432 E CB -0.207 29.213 29.700 -0.466 0.000 0.751 432 E HN 0.531 nan 8.360 nan 0.000 0.491 433 H N 0.652 119.720 119.070 -0.004 0.000 3.109 433 H HA 0.309 4.866 4.556 0.001 0.000 0.266 433 H C 0.746 176.087 175.328 0.022 0.000 1.334 433 H CA 0.339 56.404 56.048 0.030 0.000 1.456 433 H CB 1.099 30.866 29.762 0.009 0.000 1.587 433 H HN 0.279 nan 8.280 nan 0.000 0.500 434 A N 3.088 125.893 122.820 -0.025 0.000 1.898 434 A HA -0.177 4.144 4.320 0.001 0.000 0.216 434 A C 2.329 179.745 177.584 -0.281 0.000 1.181 434 A CA 1.367 53.173 52.037 -0.386 0.000 0.620 434 A CB -0.009 18.313 19.000 -1.130 0.000 0.819 434 A HN 0.540 nan 8.150 nan 0.000 0.442 435 E N -0.293 119.787 120.200 -0.200 0.000 2.051 435 E HA -0.126 4.225 4.350 0.001 0.000 0.192 435 E C 1.610 178.148 176.600 -0.104 0.000 0.991 435 E CA 1.097 57.380 56.400 -0.194 0.000 0.799 435 E CB -0.285 29.333 29.700 -0.137 0.000 0.748 435 E HN 0.358 nan 8.360 nan 0.000 0.449 436 L N 0.289 121.518 121.223 0.010 0.000 2.313 436 L HA 0.048 4.389 4.340 0.001 0.000 0.214 436 L C 2.152 179.080 176.870 0.096 0.000 1.119 436 L CA 1.128 56.019 54.840 0.085 0.000 0.809 436 L CB -0.526 41.591 42.059 0.097 0.000 0.933 436 L HN 0.023 nan 8.230 nan 0.000 0.449 437 S N -0.617 115.135 115.700 0.087 0.000 2.442 437 S HA -0.179 4.292 4.470 0.001 0.000 0.236 437 S C 1.857 176.551 174.600 0.157 0.000 1.007 437 S CA 0.849 59.134 58.200 0.142 0.000 0.965 437 S CB -0.203 63.124 63.200 0.212 0.000 0.773 437 S HN 0.451 nan 8.310 nan 0.000 0.504 438 K N 0.901 121.301 120.400 -0.001 0.000 2.152 438 K HA -0.030 4.291 4.320 0.001 0.000 0.206 438 K C 1.781 178.527 176.600 0.245 0.000 1.048 438 K CA 1.057 57.289 56.287 -0.090 0.000 0.933 438 K CB -0.320 31.793 32.500 -0.646 0.000 0.721 438 K HN 0.380 nan 8.250 nan 0.000 0.447 439 I N 0.211 120.910 120.570 0.215 0.000 2.163 439 I HA -0.282 3.889 4.170 0.001 0.000 0.240 439 I C 2.621 178.958 176.117 0.367 0.000 1.081 439 I CA 1.104 62.551 61.300 0.246 0.000 1.353 439 I CB -0.289 37.826 38.000 0.190 0.000 1.054 439 I HN 0.107 nan 8.210 nan 0.000 0.407 440 S N 0.681 116.611 115.700 0.383 0.000 2.383 440 S HA -0.068 4.403 4.470 0.001 0.000 0.227 440 S C 2.042 176.929 174.600 0.478 0.000 1.026 440 S CA 1.033 59.515 58.200 0.469 0.000 0.981 440 S CB -0.287 63.199 63.200 0.476 0.000 0.818 440 S HN 0.281 nan 8.310 nan 0.000 0.472 441 I N 1.015 121.867 120.570 0.469 0.000 2.286 441 I HA -0.175 3.996 4.170 0.001 0.000 0.248 441 I C 2.558 178.968 176.117 0.488 0.000 1.115 441 I CA 1.421 63.016 61.300 0.491 0.000 1.392 441 I CB -0.509 37.852 38.000 0.602 0.000 1.065 441 I HN 0.458 nan 8.210 nan 0.000 0.418 442 H N 1.210 120.552 119.070 0.452 0.000 2.352 442 H HA -0.197 4.360 4.556 0.001 0.000 0.299 442 H C 2.384 177.876 175.328 0.273 0.000 1.097 442 H CA 2.353 58.601 56.048 0.334 0.000 1.311 442 H CB 0.001 29.983 29.762 0.366 0.000 1.377 442 H HN 0.427 nan 8.280 nan 0.000 0.504 443 T N -1.670 113.199 114.554 0.526 0.000 2.867 443 T HA 0.035 4.386 4.350 0.001 0.000 0.268 443 T C 2.239 177.148 174.700 0.348 0.000 1.057 443 T CA 1.185 63.590 62.100 0.508 0.000 1.136 443 T CB -0.552 68.674 68.868 0.598 0.000 0.874 443 T HN 0.362 nan 8.240 nan 0.000 0.466 444 A N 1.740 124.756 122.820 0.326 0.000 1.930 444 A HA 0.383 4.704 4.320 0.001 0.000 0.217 444 A C 2.838 180.555 177.584 0.220 0.000 1.175 444 A CA 1.712 53.932 52.037 0.306 0.000 0.627 444 A CB -1.379 17.904 19.000 0.471 0.000 0.815 444 A HN 0.772 nan 8.150 nan 0.000 0.443 445 A N 0.038 122.950 122.820 0.153 0.000 1.908 445 A HA -0.226 4.094 4.320 0.001 0.000 0.218 445 A C 1.857 179.470 177.584 0.048 0.000 1.181 445 A CA 2.256 54.317 52.037 0.040 0.000 0.627 445 A CB -0.694 18.234 19.000 -0.120 0.000 0.818 445 A HN 0.560 nan 8.150 nan 0.000 0.445 446 D N -2.189 118.261 120.400 0.082 0.000 2.097 446 D HA -0.187 4.454 4.640 0.001 0.000 0.197 446 D C 1.787 178.177 176.300 0.150 0.000 0.984 446 D CA 1.464 55.554 54.000 0.151 0.000 0.826 446 D CB -0.299 40.666 40.800 0.275 0.000 0.973 446 D HN 0.497 nan 8.370 nan 0.000 0.460 447 Y N 0.908 121.111 120.300 -0.160 0.000 2.165 447 Y HA -0.225 4.326 4.550 0.001 0.000 0.286 447 Y C 2.362 178.059 175.900 -0.339 0.000 1.155 447 Y CA 2.462 60.237 58.100 -0.542 0.000 1.164 447 Y CB -0.558 37.204 38.460 -1.163 0.000 0.978 447 Y HN 0.109 nan 8.280 nan 0.000 0.513 448 S N -0.773 114.719 115.700 -0.347 0.000 2.458 448 S HA -0.145 4.326 4.470 0.001 0.000 0.223 448 S C 1.944 176.435 174.600 -0.181 0.000 1.019 448 S CA 0.432 58.398 58.200 -0.391 0.000 0.937 448 S CB -1.112 62.018 63.200 -0.116 0.000 0.788 448 S HN 0.733 nan 8.310 nan 0.000 0.511 449 W N 2.760 123.930 121.300 -0.217 0.000 2.443 449 W HA 0.265 4.926 4.660 0.001 0.000 0.296 449 W C 0.153 176.557 176.519 -0.191 0.000 1.202 449 W CA 0.773 58.012 57.345 -0.177 0.000 1.312 449 W CB -0.163 29.200 29.460 -0.161 0.000 1.120 449 W HN 0.343 nan 8.180 nan 0.000 0.536 450 N N 1.026 119.763 118.700 0.062 0.000 2.791 450 N HA 0.057 4.798 4.740 0.001 0.000 0.265 450 N C 0.631 176.103 175.510 -0.064 0.000 1.580 450 N CA -0.069 52.977 53.050 -0.006 0.000 0.809 450 N CB -0.194 38.373 38.487 0.132 0.000 1.178 450 N HN 0.062 nan 8.380 nan 0.000 0.499 451 M N 0.323 119.792 119.600 -0.218 0.000 2.200 451 M HA -0.069 4.412 4.480 0.001 0.000 0.265 451 M C 0.933 177.184 176.300 -0.081 0.000 1.066 451 M CA 1.464 56.567 55.300 -0.328 0.000 1.127 451 M CB 0.167 32.449 32.600 -0.530 0.000 1.379 451 M HN 0.168 nan 8.290 nan 0.000 0.420 452 D N 0.566 120.926 120.400 -0.066 0.000 2.144 452 D HA -0.120 4.520 4.640 0.001 0.000 0.199 452 D C 1.063 177.380 176.300 0.028 0.000 0.984 452 D CA 1.045 55.034 54.000 -0.018 0.000 0.834 452 D CB -0.121 40.657 40.800 -0.037 0.000 0.955 452 D HN 0.463 nan 8.370 nan 0.000 0.465 453 N N -0.568 118.157 118.700 0.042 0.000 2.236 453 N HA -0.085 4.656 4.740 0.001 0.000 0.196 453 N C -0.162 175.406 175.510 0.095 0.000 1.114 453 N CA -0.223 52.857 53.050 0.050 0.000 0.859 453 N CB 0.494 38.996 38.487 0.026 0.000 0.982 453 N HN 0.216 nan 8.380 nan 0.000 0.493 454 Y N 2.663 122.988 120.300 0.042 0.000 2.650 454 Y HA -0.015 4.536 4.550 0.001 0.000 0.331 454 Y C -0.125 175.839 175.900 0.107 0.000 1.165 454 Y CA 0.066 58.231 58.100 0.109 0.000 1.473 454 Y CB 0.209 38.796 38.460 0.211 0.000 1.224 454 Y HN -0.091 nan 8.280 nan 0.000 0.533 455 D N 5.925 125.995 120.400 -0.550 0.000 2.471 455 D HA 0.019 4.660 4.640 0.001 0.000 0.245 455 D C 0.214 176.082 176.300 -0.719 0.000 1.116 455 D CA -0.569 53.137 54.000 -0.490 0.000 0.853 455 D CB 0.437 41.078 40.800 -0.265 0.000 1.123 455 D HN 0.645 nan 8.370 nan 0.000 0.540 456 Y N 2.522 122.457 120.300 -0.608 0.000 2.293 456 Y HA -0.017 4.533 4.550 0.001 0.000 0.291 456 Y C 1.567 177.435 175.900 -0.053 0.000 1.137 456 Y CA 1.265 59.145 58.100 -0.365 0.000 1.202 456 Y CB -0.422 38.044 38.460 0.009 0.000 0.990 456 Y HN 0.316 nan 8.280 nan 0.000 0.537 457 D N 0.343 120.501 120.400 -0.404 0.000 2.123 457 D HA -0.133 4.507 4.640 0.001 0.000 0.200 457 D C 1.940 178.282 176.300 0.070 0.000 0.976 457 D CA 1.503 55.438 54.000 -0.108 0.000 0.831 457 D CB 0.003 40.633 40.800 -0.284 0.000 0.974 457 D HN 0.350 nan 8.370 nan 0.000 0.469 458 K N -0.097 120.269 120.400 -0.056 0.000 2.025 458 K HA 0.003 4.323 4.320 0.001 0.000 0.207 458 K C 2.211 178.853 176.600 0.069 0.000 1.049 458 K CA 0.944 57.231 56.287 -0.001 0.000 0.933 458 K CB -0.169 32.297 32.500 -0.056 0.000 0.714 458 K HN 0.129 nan 8.250 nan 0.000 0.438 459 A N 0.857 123.715 122.820 0.063 0.000 1.892 459 A HA -0.232 4.089 4.320 0.001 0.000 0.218 459 A C 1.942 179.705 177.584 0.299 0.000 1.188 459 A CA 1.695 53.856 52.037 0.207 0.000 0.631 459 A CB -1.055 18.113 19.000 0.279 0.000 0.822 459 A HN 0.631 nan 8.150 nan 0.000 0.447 460 W N 1.331 122.714 121.300 0.140 0.000 2.358 460 W HA -0.170 4.490 4.660 0.001 0.000 0.303 460 W C 2.066 178.628 176.519 0.072 0.000 1.208 460 W CA 1.852 59.281 57.345 0.141 0.000 1.274 460 W CB -0.280 29.270 29.460 0.150 0.000 1.138 460 W HN 0.374 nan 8.180 nan 0.000 0.515 461 N N 0.283 119.053 118.700 0.116 0.000 2.069 461 N HA -0.224 4.517 4.740 0.001 0.000 0.191 461 N C 1.859 177.281 175.510 -0.147 0.000 1.031 461 N CA 1.859 54.843 53.050 -0.110 0.000 0.852 461 N CB -0.586 37.927 38.487 0.044 0.000 1.018 461 N HN 0.245 nan 8.380 nan 0.000 0.423 462 R N 0.910 121.388 120.500 -0.036 0.000 2.081 462 R HA -0.047 4.294 4.340 0.001 0.000 0.235 462 R C 2.248 178.464 176.300 -0.139 0.000 1.131 462 R CA 1.373 57.463 56.100 -0.018 0.000 0.960 462 R CB -0.197 30.162 30.300 0.099 0.000 0.856 462 R HN 0.173 nan 8.270 nan 0.000 0.436 463 A N 0.842 123.516 122.820 -0.243 0.000 1.865 463 A HA -0.185 4.136 4.320 0.001 0.000 0.217 463 A C 2.142 179.491 177.584 -0.392 0.000 1.191 463 A CA 1.683 53.323 52.037 -0.660 0.000 0.623 463 A CB -0.607 18.231 19.000 -0.270 0.000 0.826 463 A HN 0.345 nan 8.150 nan 0.000 0.444 464 I N -0.293 120.073 120.570 -0.340 0.000 2.252 464 I HA -0.221 3.950 4.170 0.001 0.000 0.245 464 I C 1.941 178.010 176.117 -0.081 0.000 1.102 464 I CA 1.369 62.536 61.300 -0.222 0.000 1.385 464 I CB -0.512 37.180 38.000 -0.513 0.000 1.064 464 I HN 0.261 nan 8.210 nan 0.000 0.414 465 D N 0.821 121.141 120.400 -0.134 0.000 2.104 465 D HA -0.199 4.441 4.640 0.001 0.000 0.194 465 D C 2.282 178.560 176.300 -0.037 0.000 0.994 465 D CA 1.617 55.577 54.000 -0.066 0.000 0.830 465 D CB -0.187 40.575 40.800 -0.063 0.000 0.959 465 D HN 0.335 nan 8.370 nan 0.000 0.452 466 M N -0.316 119.246 119.600 -0.063 0.000 2.319 466 M HA -0.036 4.445 4.480 0.001 0.000 0.265 466 M C 2.038 178.321 176.300 -0.028 0.000 1.068 466 M CA 0.743 56.029 55.300 -0.025 0.000 1.118 466 M CB 0.134 32.757 32.600 0.039 0.000 1.395 466 M HN -0.026 nan 8.290 nan 0.000 0.435 467 L N -2.399 118.793 121.223 -0.051 0.000 2.354 467 L HA -0.038 4.303 4.340 0.001 0.000 0.212 467 L C 1.343 178.028 176.870 -0.309 0.000 1.091 467 L CA 0.675 55.435 54.840 -0.134 0.000 0.828 467 L CB -0.008 41.983 42.059 -0.114 0.000 0.973 467 L HN 0.199 nan 8.230 nan 0.000 0.461 468 Y N -0.512 119.737 120.300 -0.085 0.000 2.444 468 Y HA 0.325 4.875 4.550 0.001 0.000 0.249 468 Y C 1.759 177.623 175.900 -0.059 0.000 1.134 468 Y CA 0.220 58.276 58.100 -0.073 0.000 1.261 468 Y CB 0.278 38.688 38.460 -0.083 0.000 1.143 468 Y HN 0.163 nan 8.280 nan 0.000 0.523 469 G N 0.921 109.739 108.800 0.030 0.000 2.622 469 G HA2 -0.406 3.555 3.960 0.001 0.000 0.307 469 G HA3 -0.406 3.555 3.960 0.001 0.000 0.307 469 G C 0.794 175.706 174.900 0.020 0.000 1.226 469 G CA 0.790 45.894 45.100 0.006 0.000 0.997 469 G HN 0.292 nan 8.290 nan 0.000 0.551 470 D N 0.700 121.107 120.400 0.010 0.000 2.350 470 D HA 0.040 4.681 4.640 0.001 0.000 0.216 470 D C 2.390 178.702 176.300 0.019 0.000 0.968 470 D CA 0.727 54.731 54.000 0.008 0.000 0.894 470 D CB 0.021 40.820 40.800 -0.002 0.000 0.909 470 D HN 0.345 nan 8.370 nan 0.000 0.520 471 L N 0.256 121.507 121.223 0.047 0.000 2.592 471 L HA 0.179 4.520 4.340 0.001 0.000 0.227 471 L C 2.266 179.163 176.870 0.045 0.000 1.127 471 L CA -0.169 54.705 54.840 0.057 0.000 0.884 471 L CB -0.003 42.117 42.059 0.102 0.000 1.065 471 L HN -0.092 nan 8.230 nan 0.000 0.457 472 A N 0.436 123.285 122.820 0.048 0.000 1.892 472 A HA -0.226 4.095 4.320 0.001 0.000 0.218 472 A C 2.213 179.756 177.584 -0.068 0.000 1.188 472 A CA 1.654 53.687 52.037 -0.008 0.000 0.631 472 A CB -0.232 18.761 19.000 -0.012 0.000 0.822 472 A HN 0.320 nan 8.150 nan 0.000 0.447 473 E N 0.311 120.490 120.200 -0.035 0.000 2.051 473 E HA -0.172 4.178 4.350 0.001 0.000 0.192 473 E C 1.679 178.271 176.600 -0.013 0.000 0.991 473 E CA 1.413 57.797 56.400 -0.027 0.000 0.799 473 E CB -0.539 29.155 29.700 -0.009 0.000 0.748 473 E HN 0.590 nan 8.360 nan 0.000 0.449 474 D N 0.201 120.596 120.400 -0.009 0.000 2.117 474 D HA -0.155 4.486 4.640 0.001 0.000 0.197 474 D C 1.949 178.254 176.300 0.008 0.000 0.987 474 D CA 0.941 54.944 54.000 0.006 0.000 0.829 474 D CB -0.248 40.548 40.800 -0.006 0.000 0.961 474 D HN 0.095 nan 8.370 nan 0.000 0.460 475 M N 0.837 120.394 119.600 -0.072 0.000 2.159 475 M HA -0.106 4.375 4.480 0.001 0.000 0.263 475 M C 1.656 177.908 176.300 -0.080 0.000 1.063 475 M CA 1.476 56.689 55.300 -0.145 0.000 1.110 475 M CB 0.048 32.319 32.600 -0.549 0.000 1.374 475 M HN -0.186 nan 8.290 nan 0.000 0.411 476 K N -1.027 119.305 120.400 -0.112 0.000 2.026 476 K HA -0.117 4.204 4.320 0.001 0.000 0.208 476 K C 1.814 178.528 176.600 0.191 0.000 1.048 476 K CA 1.661 57.917 56.287 -0.051 0.000 0.929 476 K CB -0.561 31.884 32.500 -0.092 0.000 0.713 476 K HN 0.217 nan 8.250 nan 0.000 0.439 477 V N 1.302 121.310 119.914 0.156 0.000 2.282 477 V HA -0.284 3.836 4.120 0.001 0.000 0.249 477 V C 2.028 178.310 176.094 0.314 0.000 1.057 477 V CA 2.040 64.469 62.300 0.214 0.000 1.032 477 V CB -0.513 31.405 31.823 0.158 0.000 0.645 477 V HN 0.259 nan 8.190 nan 0.000 0.447 478 F N 1.394 121.414 119.950 0.117 0.000 2.098 478 F HA 0.015 4.543 4.527 0.001 0.000 0.294 478 F C 2.290 178.190 175.800 0.167 0.000 1.107 478 F CA 1.391 59.456 58.000 0.109 0.000 1.234 478 F CB -0.783 38.224 39.000 0.011 0.000 1.002 478 F HN 0.045 nan 8.300 nan 0.000 0.472 479 A N 0.337 123.123 122.820 -0.057 0.000 1.978 479 A HA -0.260 4.061 4.320 0.001 0.000 0.220 479 A C 1.991 179.674 177.584 0.166 0.000 1.170 479 A CA 1.872 53.880 52.037 -0.048 0.000 0.636 479 A CB -1.287 17.809 19.000 0.160 0.000 0.810 479 A HN 0.573 nan 8.150 nan 0.000 0.448 480 N N -0.372 118.503 118.700 0.291 0.000 2.272 480 N HA -0.170 4.571 4.740 0.001 0.000 0.185 480 N C 1.387 176.776 175.510 -0.202 0.000 1.014 480 N CA 1.388 54.447 53.050 0.015 0.000 0.870 480 N CB -0.462 38.067 38.487 0.070 0.000 0.975 480 N HN 0.653 nan 8.380 nan 0.000 0.433 481 H N -1.854 117.160 119.070 -0.093 0.000 2.547 481 H HA 0.179 4.736 4.556 0.001 0.000 0.266 481 H C 0.268 175.507 175.328 -0.147 0.000 0.988 481 H CA 0.416 56.399 56.048 -0.108 0.000 1.147 481 H CB 0.359 30.077 29.762 -0.073 0.000 1.365 481 H HN 0.082 nan 8.280 nan 0.000 0.589 482 S N 0.257 115.893 115.700 -0.107 0.000 2.665 482 S HA 0.066 4.537 4.470 0.001 0.000 0.235 482 S C 1.252 175.824 174.600 -0.047 0.000 1.084 482 S CA -0.141 57.985 58.200 -0.122 0.000 1.151 482 S CB -0.087 62.933 63.200 -0.299 0.000 1.151 482 S HN 0.533 nan 8.310 nan 0.000 0.461 483 T N -1.320 113.206 114.554 -0.047 0.000 3.000 483 T HA 0.324 4.675 4.350 0.001 0.000 0.248 483 T C 0.736 175.474 174.700 0.063 0.000 1.034 483 T CA -0.122 61.982 62.100 0.007 0.000 1.060 483 T CB 0.014 68.780 68.868 -0.171 0.000 0.983 483 T HN 0.233 nan 8.240 nan 0.000 0.482 484 R N 1.767 122.264 120.500 -0.006 0.000 2.234 484 R HA 0.487 4.828 4.340 0.001 0.000 0.324 484 R C -0.654 175.680 176.300 0.056 0.000 1.054 484 R CA -0.512 55.588 56.100 0.001 0.000 0.912 484 R CB 0.127 30.391 30.300 -0.061 0.000 1.030 484 R HN 0.176 nan 8.270 nan 0.000 0.455 485 M N 2.979 122.641 119.600 0.104 0.000 2.268 485 M HA 0.323 4.804 4.480 0.001 0.000 0.344 485 M C -1.096 175.176 176.300 -0.046 0.000 1.106 485 M CA -0.582 54.770 55.300 0.086 0.000 1.010 485 M CB 1.591 34.323 32.600 0.221 0.000 1.649 485 M HN 0.578 nan 8.290 nan 0.000 0.443 486 D N 2.258 122.499 120.400 -0.265 0.000 2.548 486 D HA 0.115 4.756 4.640 0.001 0.000 0.214 486 D C -0.189 175.614 176.300 -0.828 0.000 1.345 486 D CA -0.202 53.558 54.000 -0.399 0.000 0.945 486 D CB 0.903 41.535 40.800 -0.281 0.000 1.499 486 D HN 0.609 nan 8.370 nan 0.000 0.579 487 N N 3.084 121.385 118.700 -0.665 0.000 2.370 487 N HA -0.037 4.704 4.740 0.001 0.000 0.198 487 N C 0.266 175.551 175.510 -0.376 0.000 1.156 487 N CA -0.013 52.638 53.050 -0.666 0.000 0.839 487 N CB 0.062 38.385 38.487 -0.274 0.000 0.989 487 N HN 0.431 nan 8.380 nan 0.000 0.468 488 K N -1.712 118.485 120.400 -0.337 0.000 3.529 488 K HA -0.213 4.108 4.320 0.001 0.000 0.313 488 K C 0.645 177.174 176.600 -0.118 0.000 1.316 488 K CA 1.727 57.904 56.287 -0.182 0.000 0.988 488 K CB -2.414 30.019 32.500 -0.111 0.000 1.252 488 K HN 0.701 nan 8.250 nan 0.000 0.438 489 T N -3.192 111.275 114.554 -0.145 0.000 3.409 489 T HA 0.171 4.521 4.350 0.001 0.000 0.188 489 T C 1.461 176.151 174.700 -0.018 0.000 0.929 489 T CA 0.133 62.216 62.100 -0.028 0.000 1.184 489 T CB -0.251 68.681 68.868 0.107 0.000 1.570 489 T HN 0.335 nan 8.240 nan 0.000 0.367 490 W N 2.346 123.590 121.300 -0.094 0.000 3.107 490 W HA 0.741 5.402 4.660 0.001 0.000 0.293 490 W C -0.041 176.372 176.519 -0.176 0.000 1.239 490 W CA -0.189 57.087 57.345 -0.116 0.000 1.653 490 W CB -0.037 29.359 29.460 -0.107 0.000 1.068 490 W HN 0.524 nan 8.180 nan 0.000 0.615 491 A N 3.120 125.374 122.820 -0.944 0.000 2.291 491 A HA 0.642 4.963 4.320 0.001 0.000 0.311 491 A C -0.374 176.824 177.584 -0.644 0.000 1.224 491 A CA -0.596 50.746 52.037 -1.158 0.000 0.821 491 A CB 0.608 18.233 19.000 -2.291 0.000 1.172 491 A HN 0.245 nan 8.150 nan 0.000 0.494 492 K N 0.379 120.538 120.400 -0.403 0.000 2.557 492 K HA 0.804 5.125 4.320 0.001 0.000 0.261 492 K C -1.144 175.387 176.600 -0.115 0.000 0.932 492 K CA -0.537 55.621 56.287 -0.216 0.000 0.829 492 K CB 1.852 34.250 32.500 -0.170 0.000 1.358 492 K HN 0.581 nan 8.250 nan 0.000 0.430 493 S N 0.117 115.807 115.700 -0.018 0.000 2.611 493 S HA 0.785 5.255 4.470 0.001 0.000 0.270 493 S C -1.429 173.203 174.600 0.054 0.000 1.131 493 S CA 0.383 58.600 58.200 0.028 0.000 0.826 493 S CB 1.471 64.673 63.200 0.004 0.000 1.095 493 S HN 1.630 nan 8.310 nan 0.000 0.461 494 G N 2.207 110.959 108.800 -0.080 0.000 2.539 494 G HA2 0.076 4.036 3.960 0.001 0.000 0.686 494 G HA3 0.076 4.036 3.960 0.001 0.000 0.686 494 G C -0.968 173.673 174.900 -0.431 0.000 1.258 494 G CA -0.637 44.283 45.100 -0.300 0.000 0.846 494 G HN 0.768 nan 8.290 nan 0.000 0.647 495 R N 0.655 120.694 120.500 -0.769 0.000 2.585 495 R HA 0.130 4.471 4.340 0.001 0.000 0.275 495 R C 0.563 176.571 176.300 -0.487 0.000 1.018 495 R CA -0.170 55.321 56.100 -1.014 0.000 1.072 495 R CB 0.240 30.018 30.300 -0.870 0.000 0.953 495 R HN 0.553 nan 8.270 nan 0.000 0.419 496 E N 2.440 122.408 120.200 -0.387 0.000 2.467 496 E HA -0.088 4.263 4.350 0.001 0.000 0.264 496 E C -0.402 176.064 176.600 -0.223 0.000 1.020 496 E CA 0.475 56.741 56.400 -0.223 0.000 0.945 496 E CB 0.319 29.926 29.700 -0.155 0.000 0.942 496 E HN 0.464 nan 8.360 nan 0.000 0.449 497 D N 0.491 120.793 120.400 -0.164 0.000 2.399 497 D HA 0.124 4.764 4.640 0.001 0.000 0.241 497 D C 0.231 176.395 176.300 -0.227 0.000 1.133 497 D CA 0.288 54.177 54.000 -0.185 0.000 0.890 497 D CB 0.442 41.181 40.800 -0.101 0.000 1.201 497 D HN 0.487 nan 8.370 nan 0.000 0.432 498 A N 3.358 125.975 122.820 -0.338 0.000 2.089 498 A HA -0.154 4.167 4.320 0.001 0.000 0.265 498 A C -1.155 176.297 177.584 -0.220 0.000 1.315 498 A CA -0.009 51.807 52.037 -0.369 0.000 0.768 498 A CB -0.905 17.689 19.000 -0.677 0.000 1.112 498 A HN 0.439 nan 8.150 nan 0.000 0.336 499 P HA -0.123 nan 4.420 nan 0.000 0.219 499 P C 1.155 178.400 177.300 -0.091 0.000 1.150 499 P CA 1.365 64.396 63.100 -0.115 0.000 0.814 499 P CB 0.159 31.800 31.700 -0.098 0.000 0.787 500 E N -0.560 119.579 120.200 -0.101 0.000 2.107 500 E HA -0.121 4.229 4.350 0.001 0.000 0.191 500 E C 1.988 178.529 176.600 -0.099 0.000 0.982 500 E CA 0.530 56.878 56.400 -0.086 0.000 0.809 500 E CB -0.549 29.104 29.700 -0.079 0.000 0.756 500 E HN 0.100 nan 8.360 nan 0.000 0.459 501 L N 1.390 122.543 121.223 -0.117 0.000 2.027 501 L HA -0.140 4.201 4.340 0.001 0.000 0.206 501 L C 2.323 179.132 176.870 -0.101 0.000 1.074 501 L CA 1.582 56.349 54.840 -0.122 0.000 0.745 501 L CB -0.358 41.644 42.059 -0.096 0.000 0.898 501 L HN -0.085 nan 8.230 nan 0.000 0.433 502 R N 0.618 121.076 120.500 -0.070 0.000 2.096 502 R HA -0.143 4.198 4.340 0.001 0.000 0.240 502 R C 2.092 178.381 176.300 -0.019 0.000 1.139 502 R CA 2.009 58.096 56.100 -0.022 0.000 0.952 502 R CB -1.295 28.996 30.300 -0.015 0.000 0.854 502 R HN 0.515 nan 8.270 nan 0.000 0.436 503 A N 0.500 123.296 122.820 -0.040 0.000 1.972 503 A HA -0.126 4.195 4.320 0.001 0.000 0.219 503 A C 2.072 179.621 177.584 -0.059 0.000 1.169 503 A CA 1.676 53.693 52.037 -0.033 0.000 0.635 503 A CB -0.359 18.620 19.000 -0.036 0.000 0.810 503 A HN 0.423 nan 8.150 nan 0.000 0.446 504 K N -0.961 119.378 120.400 -0.101 0.000 2.155 504 K HA 0.010 4.331 4.320 0.001 0.000 0.203 504 K C 2.012 178.495 176.600 -0.196 0.000 1.052 504 K CA 1.400 57.597 56.287 -0.149 0.000 0.948 504 K CB -0.242 32.144 32.500 -0.191 0.000 0.728 504 K HN 0.502 nan 8.250 nan 0.000 0.448 505 M N 0.912 120.400 119.600 -0.186 0.000 2.117 505 M HA -0.180 4.301 4.480 0.001 0.000 0.262 505 M C 1.333 177.561 176.300 -0.121 0.000 1.065 505 M CA 1.453 56.640 55.300 -0.189 0.000 1.114 505 M CB -0.221 32.360 32.600 -0.033 0.000 1.361 505 M HN 0.026 nan 8.290 nan 0.000 0.408 506 D N 0.116 120.535 120.400 0.032 0.000 2.144 506 D HA -0.172 4.469 4.640 0.001 0.000 0.199 506 D C 1.883 178.212 176.300 0.049 0.000 0.984 506 D CA 1.258 55.332 54.000 0.124 0.000 0.834 506 D CB -0.282 40.578 40.800 0.100 0.000 0.955 506 D HN 0.298 nan 8.370 nan 0.000 0.465 507 E N 0.336 120.515 120.200 -0.034 0.000 2.106 507 E HA -0.103 4.248 4.350 0.001 0.000 0.192 507 E C 1.917 178.459 176.600 -0.096 0.000 0.984 507 E CA 0.255 56.628 56.400 -0.045 0.000 0.806 507 E CB -0.348 29.316 29.700 -0.060 0.000 0.750 507 E HN 0.149 nan 8.360 nan 0.000 0.458 508 L N -0.412 120.675 121.223 -0.226 0.000 1.989 508 L HA -0.125 4.216 4.340 0.001 0.000 0.211 508 L C 1.967 178.665 176.870 -0.285 0.000 1.071 508 L CA 2.058 56.683 54.840 -0.359 0.000 0.749 508 L CB -0.758 40.925 42.059 -0.627 0.000 0.890 508 L HN 0.323 nan 8.230 nan 0.000 0.431 509 W N -0.590 120.684 121.300 -0.043 0.000 2.402 509 W HA -0.153 4.508 4.660 0.001 0.000 0.286 509 W C 2.402 178.910 176.519 -0.019 0.000 1.221 509 W CA 0.384 57.672 57.345 -0.095 0.000 1.257 509 W CB -0.523 28.908 29.460 -0.048 0.000 1.120 509 W HN 0.227 nan 8.180 nan 0.000 0.551 510 N N 0.882 119.697 118.700 0.192 0.000 2.084 510 N HA -0.152 4.588 4.740 0.001 0.000 0.190 510 N C 1.443 177.012 175.510 0.099 0.000 1.030 510 N CA 1.535 54.663 53.050 0.130 0.000 0.849 510 N CB -0.574 37.962 38.487 0.081 0.000 1.012 510 N HN 0.204 nan 8.380 nan 0.000 0.423 511 K N 0.464 120.896 120.400 0.053 0.000 2.025 511 K HA 0.020 4.341 4.320 0.001 0.000 0.207 511 K C 2.124 178.773 176.600 0.081 0.000 1.049 511 K CA 0.702 57.014 56.287 0.042 0.000 0.933 511 K CB -0.232 32.268 32.500 -0.001 0.000 0.714 511 K HN 0.129 nan 8.250 nan 0.000 0.438 512 L N 1.137 122.415 121.223 0.093 0.000 2.046 512 L HA -0.162 4.179 4.340 0.001 0.000 0.208 512 L C 2.466 179.519 176.870 0.304 0.000 1.077 512 L CA 1.431 56.377 54.840 0.175 0.000 0.747 512 L CB -0.561 41.549 42.059 0.085 0.000 0.896 512 L HN 0.249 nan 8.230 nan 0.000 0.432 513 S N -2.571 113.318 115.700 0.315 0.000 2.607 513 S HA 0.012 4.483 4.470 0.001 0.000 0.224 513 S C 1.371 176.069 174.600 0.164 0.000 0.969 513 S CA 0.490 58.863 58.200 0.288 0.000 0.927 513 S CB 0.137 63.509 63.200 0.287 0.000 0.772 513 S HN 0.241 nan 8.310 nan 0.000 0.533 514 S N 1.095 116.875 115.700 0.134 0.000 2.730 514 S HA 0.335 4.806 4.470 0.001 0.000 0.244 514 S C -0.119 174.526 174.600 0.075 0.000 1.022 514 S CA -0.664 57.589 58.200 0.088 0.000 1.014 514 S CB 0.018 63.262 63.200 0.072 0.000 0.963 514 S HN 0.622 nan 8.310 nan 0.000 0.540 515 K N 1.283 121.737 120.400 0.090 0.000 3.088 515 K HA -0.199 4.121 4.320 0.001 0.000 0.273 515 K C -0.629 176.005 176.600 0.057 0.000 1.111 515 K CA 0.810 57.141 56.287 0.074 0.000 0.803 515 K CB -1.590 30.944 32.500 0.056 0.000 1.226 515 K HN 0.514 nan 8.250 nan 0.000 0.485 516 E N 1.025 121.258 120.200 0.056 0.000 2.248 516 E HA 0.159 4.510 4.350 0.001 0.000 0.272 516 E C -0.400 176.221 176.600 0.034 0.000 1.008 516 E CA -0.917 55.506 56.400 0.038 0.000 0.856 516 E CB 0.884 30.602 29.700 0.030 0.000 1.120 516 E HN 0.077 nan 8.360 nan 0.000 0.397 517 D N 0.502 120.917 120.400 0.024 0.000 2.371 517 D HA 0.147 4.788 4.640 0.001 0.000 0.256 517 D C -0.362 175.942 176.300 0.006 0.000 1.193 517 D CA 0.146 54.157 54.000 0.020 0.000 0.881 517 D CB 0.826 41.636 40.800 0.017 0.000 1.143 517 D HN 0.459 nan 8.370 nan 0.000 0.473 518 A N 2.891 125.711 122.820 0.001 0.000 2.564 518 A HA 0.134 4.454 4.320 0.001 0.000 0.279 518 A C 1.791 179.360 177.584 -0.025 0.000 1.232 518 A CA 0.310 52.331 52.037 -0.027 0.000 0.950 518 A CB -0.299 18.668 19.000 -0.055 0.000 1.138 518 A HN 0.539 nan 8.150 nan 0.000 0.526 519 S N 0.265 115.965 115.700 0.000 0.000 2.382 519 S HA -0.083 4.388 4.470 0.001 0.000 0.228 519 S C 1.999 176.605 174.600 0.009 0.000 1.027 519 S CA 1.325 59.535 58.200 0.017 0.000 0.991 519 S CB -0.481 62.736 63.200 0.029 0.000 0.823 519 S HN 0.880 nan 8.310 nan 0.000 0.469 520 A N 1.643 124.459 122.820 -0.007 0.000 1.898 520 A HA 0.143 4.464 4.320 0.001 0.000 0.216 520 A C 2.223 179.783 177.584 -0.041 0.000 1.181 520 A CA 1.439 53.466 52.037 -0.016 0.000 0.620 520 A CB -0.834 18.154 19.000 -0.020 0.000 0.819 520 A HN 0.516 nan 8.150 nan 0.000 0.442 521 L N -0.038 121.147 121.223 -0.064 0.000 2.093 521 L HA -0.054 4.287 4.340 0.001 0.000 0.208 521 L C 2.157 178.941 176.870 -0.144 0.000 1.085 521 L CA 1.496 56.269 54.840 -0.111 0.000 0.755 521 L CB -0.527 41.458 42.059 -0.124 0.000 0.904 521 L HN 0.428 nan 8.230 nan 0.000 0.435 522 I N -0.490 120.015 120.570 -0.108 0.000 2.127 522 I HA -0.299 3.872 4.170 0.001 0.000 0.241 522 I C 2.504 178.585 176.117 -0.058 0.000 1.075 522 I CA 1.513 62.739 61.300 -0.125 0.000 1.334 522 I CB -0.296 37.678 38.000 -0.043 0.000 1.040 522 I HN 0.299 nan 8.210 nan 0.000 0.405 523 E N 1.251 121.493 120.200 0.069 0.000 2.070 523 E HA -0.317 4.034 4.350 0.001 0.000 0.197 523 E C 2.010 178.633 176.600 0.039 0.000 1.004 523 E CA 1.937 58.422 56.400 0.140 0.000 0.805 523 E CB -0.221 29.524 29.700 0.075 0.000 0.744 523 E HN 0.446 nan 8.360 nan 0.000 0.451 524 E N -0.357 119.810 120.200 -0.055 0.000 2.085 524 E HA -0.212 4.139 4.350 0.001 0.000 0.194 524 E C 2.141 178.604 176.600 -0.228 0.000 0.994 524 E CA 1.417 57.747 56.400 -0.116 0.000 0.801 524 E CB -0.190 29.433 29.700 -0.128 0.000 0.743 524 E HN 0.358 nan 8.360 nan 0.000 0.453 525 L N -0.352 120.665 121.223 -0.344 0.000 2.109 525 L HA -0.148 4.193 4.340 0.001 0.000 0.207 525 L C 2.297 178.728 176.870 -0.731 0.000 1.086 525 L CA 0.937 55.352 54.840 -0.708 0.000 0.760 525 L CB -0.480 41.113 42.059 -0.776 0.000 0.910 525 L HN 0.240 nan 8.230 nan 0.000 0.437 526 Y N 0.272 120.420 120.300 -0.254 0.000 2.114 526 Y HA -0.285 4.265 4.550 0.001 0.000 0.282 526 Y C 2.603 178.441 175.900 -0.105 0.000 1.165 526 Y CA 1.256 59.316 58.100 -0.067 0.000 1.148 526 Y CB -0.722 37.740 38.460 0.004 0.000 0.972 526 Y HN 0.197 nan 8.280 nan 0.000 0.504 527 G N -0.634 108.178 108.800 0.020 0.000 2.440 527 G HA2 -0.298 3.663 3.960 0.001 0.000 0.218 527 G HA3 -0.298 3.663 3.960 0.001 0.000 0.218 527 G C 1.392 176.254 174.900 -0.063 0.000 1.154 527 G CA 1.232 46.324 45.100 -0.014 0.000 0.767 527 G HN 0.294 nan 8.290 nan 0.000 0.552 528 E N 0.078 120.153 120.200 -0.208 0.000 2.051 528 E HA -0.057 4.294 4.350 0.001 0.000 0.192 528 E C 2.162 178.718 176.600 -0.074 0.000 0.991 528 E CA 0.891 57.153 56.400 -0.230 0.000 0.799 528 E CB -0.310 29.096 29.700 -0.490 0.000 0.748 528 E HN 0.428 nan 8.360 nan 0.000 0.449 529 F N 0.050 119.996 119.950 -0.007 0.000 2.206 529 F HA 0.079 4.606 4.527 0.001 0.000 0.298 529 F C 2.241 178.058 175.800 0.028 0.000 1.090 529 F CA 0.808 58.808 58.000 -0.000 0.000 1.323 529 F CB -1.248 37.751 39.000 -0.001 0.000 1.028 529 F HN 0.057 nan 8.300 nan 0.000 0.492 530 A N 0.096 123.045 122.820 0.216 0.000 1.933 530 A HA -0.214 4.107 4.320 0.001 0.000 0.218 530 A C 2.292 179.928 177.584 0.087 0.000 1.175 530 A CA 1.843 53.960 52.037 0.133 0.000 0.628 530 A CB -0.673 18.388 19.000 0.102 0.000 0.814 530 A HN 0.246 nan 8.150 nan 0.000 0.444 531 R N -0.398 120.146 120.500 0.074 0.000 2.075 531 R HA -0.025 4.316 4.340 0.001 0.000 0.232 531 R C 2.053 178.397 176.300 0.074 0.000 1.126 531 R CA 2.098 58.233 56.100 0.058 0.000 0.963 531 R CB -0.632 29.693 30.300 0.041 0.000 0.858 531 R HN 0.551 nan 8.270 nan 0.000 0.435 532 M N 0.068 119.729 119.600 0.100 0.000 2.073 532 M HA -0.231 4.250 4.480 0.001 0.000 0.258 532 M C 2.292 178.628 176.300 0.060 0.000 1.070 532 M CA 2.418 57.772 55.300 0.090 0.000 1.103 532 M CB -0.478 32.164 32.600 0.070 0.000 1.321 532 M HN 0.299 nan 8.290 nan 0.000 0.405 533 E N 0.416 120.650 120.200 0.057 0.000 2.038 533 E HA -0.283 4.068 4.350 0.001 0.000 0.195 533 E C 1.935 178.548 176.600 0.021 0.000 1.000 533 E CA 1.785 58.205 56.400 0.034 0.000 0.803 533 E CB -0.129 29.596 29.700 0.042 0.000 0.750 533 E HN 0.560 nan 8.360 nan 0.000 0.448 534 E N 0.084 120.302 120.200 0.029 0.000 2.077 534 E HA -0.219 4.131 4.350 0.001 0.000 0.193 534 E C 1.932 178.536 176.600 0.007 0.000 0.989 534 E CA 1.137 57.547 56.400 0.016 0.000 0.800 534 E CB -0.184 29.528 29.700 0.020 0.000 0.746 534 E HN 0.303 nan 8.360 nan 0.000 0.452 535 A N 0.821 123.653 122.820 0.021 0.000 1.898 535 A HA -0.141 4.179 4.320 0.001 0.000 0.216 535 A C 2.516 180.088 177.584 -0.020 0.000 1.181 535 A CA 1.278 53.324 52.037 0.016 0.000 0.620 535 A CB -0.892 18.140 19.000 0.054 0.000 0.819 535 A HN 0.541 nan 8.150 nan 0.000 0.442 536 C N -0.071 119.214 119.300 -0.025 0.000 2.429 536 C HA -0.092 4.369 4.460 0.001 0.000 0.277 536 C C 2.654 177.583 174.990 -0.101 0.000 1.262 536 C CA 1.054 60.011 59.018 -0.103 0.000 1.733 536 C CB -1.466 26.226 27.740 -0.081 0.000 2.010 536 C HN 0.624 nan 8.230 nan 0.000 0.483 537 N N 1.377 120.044 118.700 -0.055 0.000 2.120 537 N HA -0.125 4.616 4.740 0.001 0.000 0.188 537 N C 1.507 176.987 175.510 -0.050 0.000 1.024 537 N CA 1.379 54.400 53.050 -0.049 0.000 0.852 537 N CB -0.741 37.730 38.487 -0.027 0.000 1.003 537 N HN 0.548 nan 8.380 nan 0.000 0.424 538 N N 0.966 119.641 118.700 -0.042 0.000 2.120 538 N HA 0.001 4.742 4.740 0.001 0.000 0.188 538 N C 1.791 177.269 175.510 -0.052 0.000 1.024 538 N CA 0.660 53.688 53.050 -0.037 0.000 0.852 538 N CB -0.237 38.236 38.487 -0.023 0.000 1.003 538 N HN 0.168 nan 8.380 nan 0.000 0.424 539 L N 0.315 121.490 121.223 -0.081 0.000 2.046 539 L HA -0.146 4.195 4.340 0.001 0.000 0.208 539 L C 2.208 179.011 176.870 -0.111 0.000 1.077 539 L CA 1.192 55.967 54.840 -0.109 0.000 0.747 539 L CB -0.324 41.614 42.059 -0.202 0.000 0.896 539 L HN 0.168 nan 8.230 nan 0.000 0.432 540 K N -0.115 120.214 120.400 -0.118 0.000 2.147 540 K HA -0.130 4.191 4.320 0.001 0.000 0.205 540 K C 2.053 178.614 176.600 -0.065 0.000 1.049 540 K CA 1.361 57.589 56.287 -0.099 0.000 0.936 540 K CB -0.165 32.280 32.500 -0.091 0.000 0.722 540 K HN 0.319 nan 8.250 nan 0.000 0.446 541 A N 0.642 123.430 122.820 -0.053 0.000 2.095 541 A HA 0.036 4.357 4.320 0.001 0.000 0.212 541 A C 1.307 178.872 177.584 -0.033 0.000 1.162 541 A CA 0.687 52.701 52.037 -0.038 0.000 0.753 541 A CB 0.198 19.179 19.000 -0.031 0.000 0.840 541 A HN 0.177 nan 8.150 nan 0.000 0.468 542 N N -1.076 117.604 118.700 -0.032 0.000 2.145 542 N HA 0.214 4.955 4.740 0.001 0.000 0.219 542 N C -0.179 175.323 175.510 -0.014 0.000 1.266 542 N CA -0.117 52.920 53.050 -0.022 0.000 0.902 542 N CB 0.454 38.931 38.487 -0.015 0.000 1.078 542 N HN 0.294 nan 8.380 nan 0.000 0.513 543 L N 3.373 124.586 121.223 -0.015 0.000 2.490 543 L HA 0.137 4.478 4.340 0.001 0.000 0.274 543 L C -1.752 175.111 176.870 -0.013 0.000 1.201 543 L CA -1.034 53.810 54.840 0.006 0.000 0.869 543 L CB 0.097 42.158 42.059 0.003 0.000 1.123 543 L HN -0.140 nan 8.230 nan 0.000 0.484 544 P HA -0.046 nan 4.420 nan 0.000 0.268 544 P C 0.382 177.662 177.300 -0.034 0.000 1.208 544 P CA -0.145 62.932 63.100 -0.038 0.000 0.777 544 P CB 0.557 32.219 31.700 -0.064 0.000 0.875 545 E N 1.489 121.667 120.200 -0.036 0.000 2.097 545 E HA -0.199 4.152 4.350 0.001 0.000 0.196 545 E C 1.612 178.193 176.600 -0.032 0.000 1.000 545 E CA 1.360 57.741 56.400 -0.031 0.000 0.804 545 E CB -0.177 29.505 29.700 -0.029 0.000 0.740 545 E HN 0.150 nan 8.360 nan 0.000 0.454 546 V N 0.650 120.537 119.914 -0.044 0.000 2.380 546 V HA -0.290 3.831 4.120 0.001 0.000 0.251 546 V C 2.195 178.264 176.094 -0.042 0.000 1.063 546 V CA 2.358 64.626 62.300 -0.053 0.000 1.055 546 V CB -0.453 31.320 31.823 -0.083 0.000 0.657 546 V HN 0.489 nan 8.190 nan 0.000 0.455 547 A N -0.795 122.008 122.820 -0.029 0.000 1.878 547 A HA -0.030 4.291 4.320 0.001 0.000 0.213 547 A C 2.041 179.628 177.584 0.005 0.000 1.192 547 A CA 1.560 53.608 52.037 0.018 0.000 0.619 547 A CB -0.646 18.408 19.000 0.091 0.000 0.837 547 A HN 0.522 nan 8.150 nan 0.000 0.446 548 L N 1.127 122.342 121.223 -0.014 0.000 2.093 548 L HA -0.164 4.177 4.340 0.001 0.000 0.208 548 L C 2.449 179.297 176.870 -0.037 0.000 1.085 548 L CA 2.644 57.461 54.840 -0.039 0.000 0.755 548 L CB -0.657 41.375 42.059 -0.045 0.000 0.904 548 L HN 0.678 nan 8.230 nan 0.000 0.435 549 E N -0.926 119.260 120.200 -0.023 0.000 2.267 549 E HA -0.258 4.092 4.350 0.001 0.000 0.197 549 E C 1.447 178.042 176.600 -0.008 0.000 0.998 549 E CA 1.585 57.978 56.400 -0.012 0.000 0.830 549 E CB -0.404 29.295 29.700 -0.001 0.000 0.751 549 E HN 0.702 nan 8.360 nan 0.000 0.491 550 E N 0.037 120.222 120.200 -0.024 0.000 2.318 550 E HA -0.014 4.337 4.350 0.001 0.000 0.193 550 E C 1.738 178.238 176.600 -0.166 0.000 0.998 550 E CA 0.939 57.286 56.400 -0.088 0.000 0.859 550 E CB 0.434 30.089 29.700 -0.074 0.000 0.812 550 E HN 0.580 nan 8.360 nan 0.000 0.492 551 C N -0.931 118.324 119.300 -0.075 0.000 3.642 551 C HA 0.304 4.764 4.460 0.001 0.000 0.305 551 C C 2.574 177.530 174.990 -0.057 0.000 1.492 551 C CA -0.037 58.963 59.018 -0.030 0.000 1.809 551 C CB -0.523 27.248 27.740 0.051 0.000 2.639 551 C HN 0.251 nan 8.230 nan 0.000 0.672 552 S N 2.344 118.006 115.700 -0.062 0.000 2.383 552 S HA -0.225 4.246 4.470 0.001 0.000 0.229 552 S C 1.938 176.514 174.600 -0.041 0.000 1.030 552 S CA 1.482 59.638 58.200 -0.074 0.000 1.002 552 S CB -0.619 62.550 63.200 -0.052 0.000 0.829 552 S HN 0.776 nan 8.310 nan 0.000 0.467 553 R N 0.731 121.237 120.500 0.009 0.000 2.090 553 R HA 0.046 4.387 4.340 0.001 0.000 0.228 553 R C 2.690 179.021 176.300 0.052 0.000 1.110 553 R CA 1.557 57.684 56.100 0.045 0.000 0.973 553 R CB -0.301 30.067 30.300 0.114 0.000 0.869 553 R HN 0.455 nan 8.270 nan 0.000 0.440 554 Q N 0.099 119.947 119.800 0.080 0.000 2.123 554 Q HA -0.061 4.280 4.340 0.001 0.000 0.199 554 Q C 1.833 177.962 176.000 0.215 0.000 0.966 554 Q CA 0.829 56.733 55.803 0.169 0.000 0.845 554 Q CB -0.059 28.847 28.738 0.279 0.000 0.907 554 Q HN 0.101 nan 8.270 nan 0.000 0.439 555 L N 0.980 122.191 121.223 -0.021 0.000 1.989 555 L HA -0.221 4.119 4.340 0.001 0.000 0.211 555 L C 1.553 178.383 176.870 -0.066 0.000 1.071 555 L CA 1.924 56.629 54.840 -0.224 0.000 0.749 555 L CB -1.104 40.721 42.059 -0.390 0.000 0.890 555 L HN 0.229 nan 8.230 nan 0.000 0.431 556 D N -0.658 119.715 120.400 -0.045 0.000 2.116 556 D HA -0.204 4.436 4.640 0.001 0.000 0.193 556 D C 2.219 178.521 176.300 0.003 0.000 0.998 556 D CA 1.051 55.039 54.000 -0.020 0.000 0.836 556 D CB 0.025 40.819 40.800 -0.011 0.000 0.951 556 D HN 0.386 nan 8.370 nan 0.000 0.449 557 E N -0.248 119.967 120.200 0.025 0.000 2.077 557 E HA -0.163 4.188 4.350 0.001 0.000 0.193 557 E C 2.127 178.740 176.600 0.022 0.000 0.989 557 E CA 0.413 56.828 56.400 0.025 0.000 0.800 557 E CB -0.126 29.591 29.700 0.028 0.000 0.746 557 E HN 0.134 nan 8.360 nan 0.000 0.452 558 L N 1.069 122.328 121.223 0.060 0.000 2.093 558 L HA -0.136 4.205 4.340 0.001 0.000 0.208 558 L C 2.127 178.989 176.870 -0.013 0.000 1.085 558 L CA 1.219 56.075 54.840 0.025 0.000 0.755 558 L CB -0.284 41.849 42.059 0.122 0.000 0.904 558 L HN 0.117 nan 8.230 nan 0.000 0.435 559 I N -1.250 119.319 120.570 -0.002 0.000 2.163 559 I HA -0.346 3.825 4.170 0.001 0.000 0.243 559 I C 2.230 178.336 176.117 -0.017 0.000 1.085 559 I CA 1.740 63.033 61.300 -0.011 0.000 1.347 559 I CB -0.749 37.242 38.000 -0.015 0.000 1.044 559 I HN 0.249 nan 8.210 nan 0.000 0.408 560 T N 1.413 115.958 114.554 -0.015 0.000 2.665 560 T HA -0.182 4.169 4.350 0.001 0.000 0.268 560 T C 1.940 176.620 174.700 -0.034 0.000 1.035 560 T CA 1.443 63.532 62.100 -0.018 0.000 1.151 560 T CB -0.377 68.484 68.868 -0.011 0.000 0.862 560 T HN 0.245 nan 8.240 nan 0.000 0.438 561 L N 0.582 121.779 121.223 -0.043 0.000 2.046 561 L HA -0.092 4.249 4.340 0.001 0.000 0.208 561 L C 3.058 179.854 176.870 -0.124 0.000 1.077 561 L CA 1.218 56.016 54.840 -0.069 0.000 0.747 561 L CB -0.700 41.321 42.059 -0.064 0.000 0.896 561 L HN 0.250 nan 8.230 nan 0.000 0.432 562 A N -0.362 122.394 122.820 -0.106 0.000 1.902 562 A HA -0.265 4.056 4.320 0.001 0.000 0.217 562 A C 2.211 179.740 177.584 -0.092 0.000 1.181 562 A CA 1.675 53.650 52.037 -0.103 0.000 0.623 562 A CB -0.489 18.511 19.000 0.001 0.000 0.818 562 A HN 0.477 nan 8.150 nan 0.000 0.443 563 Q N -0.885 118.890 119.800 -0.043 0.000 2.124 563 Q HA -0.082 4.259 4.340 0.001 0.000 0.202 563 Q C 2.170 178.147 176.000 -0.039 0.000 0.977 563 Q CA 1.164 56.959 55.803 -0.014 0.000 0.850 563 Q CB -0.399 28.337 28.738 -0.003 0.000 0.901 563 Q HN 0.690 nan 8.270 nan 0.000 0.429 564 G N 0.816 109.574 108.800 -0.070 0.000 2.408 564 G HA2 -0.230 3.731 3.960 0.001 0.000 0.217 564 G HA3 -0.230 3.731 3.960 0.001 0.000 0.217 564 G C 0.891 175.725 174.900 -0.110 0.000 1.150 564 G CA 0.847 45.906 45.100 -0.069 0.000 0.776 564 G HN 0.219 nan 8.290 nan 0.000 0.542 565 D N 0.416 120.659 120.400 -0.262 0.000 2.117 565 D HA -0.067 4.574 4.640 0.001 0.000 0.198 565 D C 2.329 178.394 176.300 -0.392 0.000 0.982 565 D CA 0.635 54.309 54.000 -0.543 0.000 0.828 565 D CB -0.103 39.749 40.800 -1.581 0.000 0.967 565 D HN 0.130 nan 8.370 nan 0.000 0.464 566 K N 1.504 121.799 120.400 -0.174 0.000 2.020 566 K HA -0.135 4.185 4.320 0.001 0.000 0.212 566 K C 1.932 178.632 176.600 0.167 0.000 1.050 566 K CA 1.535 57.924 56.287 0.171 0.000 0.929 566 K CB -0.449 32.186 32.500 0.225 0.000 0.714 566 K HN 0.042 nan 8.250 nan 0.000 0.443 567 A N 0.637 123.504 122.820 0.078 0.000 1.933 567 A HA -0.120 4.201 4.320 0.001 0.000 0.218 567 A C 2.320 179.935 177.584 0.051 0.000 1.175 567 A CA 2.148 54.224 52.037 0.064 0.000 0.628 567 A CB -0.564 18.443 19.000 0.011 0.000 0.814 567 A HN 0.449 nan 8.150 nan 0.000 0.444 568 S N 0.046 115.764 115.700 0.030 0.000 2.368 568 S HA -0.111 4.360 4.470 0.001 0.000 0.225 568 S C 1.785 176.437 174.600 0.087 0.000 1.030 568 S CA 1.496 59.711 58.200 0.025 0.000 0.999 568 S CB -0.455 62.716 63.200 -0.049 0.000 0.844 568 S HN 0.539 nan 8.310 nan 0.000 0.459 569 L N 1.316 122.603 121.223 0.107 0.000 2.093 569 L HA -0.131 4.210 4.340 0.001 0.000 0.208 569 L C 2.079 179.031 176.870 0.137 0.000 1.085 569 L CA 0.996 55.842 54.840 0.011 0.000 0.755 569 L CB -0.737 41.061 42.059 -0.434 0.000 0.904 569 L HN 0.194 nan 8.230 nan 0.000 0.435 570 D N -0.002 120.532 120.400 0.223 0.000 2.123 570 D HA -0.210 4.431 4.640 0.001 0.000 0.196 570 D C 2.322 178.737 176.300 0.191 0.000 0.992 570 D CA 1.320 55.467 54.000 0.244 0.000 0.833 570 D CB -0.121 40.795 40.800 0.193 0.000 0.954 570 D HN 0.255 nan 8.370 nan 0.000 0.455 571 M N -0.053 119.639 119.600 0.152 0.000 2.080 571 M HA -0.162 4.319 4.480 0.001 0.000 0.260 571 M C 2.279 178.791 176.300 0.355 0.000 1.068 571 M CA 1.220 56.654 55.300 0.223 0.000 1.109 571 M CB -0.230 32.446 32.600 0.126 0.000 1.342 571 M HN 0.020 nan 8.290 nan 0.000 0.405 572 I N -0.730 120.001 120.570 0.268 0.000 2.142 572 I HA -0.266 3.904 4.170 0.001 0.000 0.240 572 I C 2.282 178.524 176.117 0.209 0.000 1.078 572 I CA 1.103 62.553 61.300 0.251 0.000 1.343 572 I CB -0.402 37.686 38.000 0.147 0.000 1.046 572 I HN 0.057 nan 8.210 nan 0.000 0.405 573 V N 1.057 121.085 119.914 0.190 0.000 2.392 573 V HA -0.310 3.811 4.120 0.001 0.000 0.249 573 V C 2.666 178.859 176.094 0.166 0.000 1.059 573 V CA 1.987 64.393 62.300 0.176 0.000 1.051 573 V CB -1.032 30.917 31.823 0.210 0.000 0.658 573 V HN 0.511 nan 8.190 nan 0.000 0.455 574 A N -0.977 121.962 122.820 0.197 0.000 1.930 574 A HA -0.246 4.074 4.320 0.001 0.000 0.217 574 A C 2.193 179.870 177.584 0.155 0.000 1.175 574 A CA 1.679 53.829 52.037 0.189 0.000 0.627 574 A CB -0.386 18.765 19.000 0.252 0.000 0.815 574 A HN 0.618 nan 8.150 nan 0.000 0.443 575 Q N -0.421 119.478 119.800 0.165 0.000 2.050 575 Q HA -0.112 4.229 4.340 0.001 0.000 0.202 575 Q C 2.117 178.164 176.000 0.079 0.000 0.980 575 Q CA 1.437 57.283 55.803 0.073 0.000 0.840 575 Q CB -0.370 28.419 28.738 0.085 0.000 0.898 575 Q HN 0.671 nan 8.270 nan 0.000 0.424 576 L N 1.055 122.346 121.223 0.113 0.000 2.043 576 L HA -0.240 4.101 4.340 0.001 0.000 0.212 576 L C 1.766 178.680 176.870 0.072 0.000 1.075 576 L CA 0.938 55.834 54.840 0.093 0.000 0.752 576 L CB -0.454 41.665 42.059 0.100 0.000 0.891 576 L HN 0.249 nan 8.230 nan 0.000 0.432 577 N N 0.189 118.936 118.700 0.078 0.000 2.515 577 N HA -0.082 4.659 4.740 0.001 0.000 0.185 577 N C -0.047 175.492 175.510 0.049 0.000 1.109 577 N CA 0.312 53.400 53.050 0.063 0.000 0.903 577 N CB -0.045 38.485 38.487 0.070 0.000 0.969 577 N HN 0.284 nan 8.380 nan 0.000 0.450 578 E N 0.588 120.813 120.200 0.042 0.000 2.297 578 E HA -0.203 4.148 4.350 0.001 0.000 0.228 578 E C -0.923 175.696 176.600 0.031 0.000 1.213 578 E CA 0.324 56.736 56.400 0.020 0.000 0.712 578 E CB -1.119 28.588 29.700 0.011 0.000 1.202 578 E HN 0.234 nan 8.360 nan 0.000 0.376 579 D N -0.158 120.276 120.400 0.055 0.000 2.472 579 D HA 0.170 4.810 4.640 0.001 0.000 0.234 579 D C 0.864 177.223 176.300 0.098 0.000 1.088 579 D CA -0.254 53.787 54.000 0.069 0.000 0.882 579 D CB 0.906 41.753 40.800 0.078 0.000 1.037 579 D HN -0.018 nan 8.370 nan 0.000 0.520 580 T N 2.426 117.025 114.554 0.074 0.000 2.665 580 T HA -0.170 4.181 4.350 0.001 0.000 0.268 580 T C 1.487 176.277 174.700 0.150 0.000 1.035 580 T CA 1.130 63.291 62.100 0.102 0.000 1.151 580 T CB 0.177 69.080 68.868 0.058 0.000 0.862 580 T HN 0.449 nan 8.240 nan 0.000 0.438 581 E N 1.291 121.552 120.200 0.101 0.000 2.072 581 E HA -0.014 4.336 4.350 0.001 0.000 0.191 581 E C 2.610 179.262 176.600 0.087 0.000 0.985 581 E CA 1.130 57.580 56.400 0.083 0.000 0.801 581 E CB -0.478 29.256 29.700 0.056 0.000 0.750 581 E HN 0.544 nan 8.360 nan 0.000 0.452 582 A N 0.765 123.644 122.820 0.099 0.000 1.969 582 A HA -0.185 4.136 4.320 0.001 0.000 0.218 582 A C 2.084 179.740 177.584 0.120 0.000 1.169 582 A CA 1.215 53.309 52.037 0.095 0.000 0.635 582 A CB -0.691 18.366 19.000 0.096 0.000 0.810 582 A HN 0.336 nan 8.150 nan 0.000 0.445 583 Y N 0.618 120.946 120.300 0.047 0.000 2.163 583 Y HA -0.148 4.403 4.550 0.001 0.000 0.288 583 Y C 2.271 178.195 175.900 0.041 0.000 1.136 583 Y CA 2.068 60.199 58.100 0.051 0.000 1.147 583 Y CB -0.032 38.458 38.460 0.049 0.000 0.987 583 Y HN 0.281 nan 8.280 nan 0.000 0.509 584 E N -0.353 119.867 120.200 0.034 0.000 2.106 584 E HA -0.178 4.173 4.350 0.001 0.000 0.192 584 E C 2.457 179.001 176.600 -0.094 0.000 0.984 584 E CA 1.171 57.540 56.400 -0.051 0.000 0.806 584 E CB -0.536 29.207 29.700 0.072 0.000 0.750 584 E HN 0.452 nan 8.360 nan 0.000 0.458 585 S N 0.470 116.145 115.700 -0.042 0.000 2.368 585 S HA -0.092 4.379 4.470 0.001 0.000 0.224 585 S C 2.053 176.615 174.600 -0.063 0.000 1.029 585 S CA 1.294 59.472 58.200 -0.036 0.000 0.988 585 S CB 0.002 63.201 63.200 -0.001 0.000 0.838 585 S HN 0.259 nan 8.310 nan 0.000 0.462 586 A N 1.450 124.219 122.820 -0.086 0.000 1.929 586 A HA 0.043 4.364 4.320 0.001 0.000 0.216 586 A C 2.124 179.617 177.584 -0.152 0.000 1.176 586 A CA 1.546 53.535 52.037 -0.081 0.000 0.628 586 A CB -0.679 18.301 19.000 -0.033 0.000 0.816 586 A HN 0.647 nan 8.150 nan 0.000 0.444 587 K N 0.329 120.547 120.400 -0.303 0.000 2.032 587 K HA -0.275 4.046 4.320 0.001 0.000 0.209 587 K C 1.995 178.497 176.600 -0.163 0.000 1.048 587 K CA 2.126 58.218 56.287 -0.325 0.000 0.927 587 K CB -0.164 32.005 32.500 -0.552 0.000 0.712 587 K HN 0.523 nan 8.250 nan 0.000 0.441 588 E N 1.083 121.210 120.200 -0.122 0.000 2.106 588 E HA -0.156 4.195 4.350 0.001 0.000 0.192 588 E C 1.845 178.414 176.600 -0.052 0.000 0.984 588 E CA 1.444 57.803 56.400 -0.070 0.000 0.806 588 E CB -0.500 29.172 29.700 -0.047 0.000 0.750 588 E HN 0.503 nan 8.360 nan 0.000 0.458 589 I N 1.129 121.670 120.570 -0.049 0.000 2.179 589 I HA -0.260 3.911 4.170 0.001 0.000 0.242 589 I C 2.548 178.644 176.117 -0.036 0.000 1.088 589 I CA 1.308 62.589 61.300 -0.032 0.000 1.357 589 I CB -0.539 37.449 38.000 -0.020 0.000 1.051 589 I HN 0.301 nan 8.210 nan 0.000 0.409 590 A N 0.291 123.081 122.820 -0.050 0.000 1.877 590 A HA -0.269 4.051 4.320 0.001 0.000 0.216 590 A C 2.265 179.823 177.584 -0.044 0.000 1.186 590 A CA 1.694 53.701 52.037 -0.049 0.000 0.620 590 A CB -0.695 18.267 19.000 -0.064 0.000 0.822 590 A HN 0.491 nan 8.150 nan 0.000 0.443 591 Q N -0.561 119.210 119.800 -0.049 0.000 2.096 591 Q HA -0.199 4.142 4.340 0.001 0.000 0.204 591 Q C 2.177 178.161 176.000 -0.026 0.000 0.982 591 Q CA 1.473 57.254 55.803 -0.036 0.000 0.850 591 Q CB -0.355 28.361 28.738 -0.037 0.000 0.901 591 Q HN 0.829 nan 8.270 nan 0.000 0.422 592 N N 0.389 119.074 118.700 -0.025 0.000 2.120 592 N HA -0.174 4.567 4.740 0.001 0.000 0.188 592 N C 1.509 177.010 175.510 -0.015 0.000 1.024 592 N CA 0.922 53.962 53.050 -0.017 0.000 0.852 592 N CB 0.231 38.708 38.487 -0.016 0.000 1.003 592 N HN 0.116 nan 8.380 nan 0.000 0.424 593 K N 0.889 121.277 120.400 -0.019 0.000 2.062 593 K HA -0.092 4.229 4.320 0.001 0.000 0.205 593 K C 2.097 178.687 176.600 -0.016 0.000 1.051 593 K CA 0.271 56.547 56.287 -0.018 0.000 0.941 593 K CB -0.685 31.801 32.500 -0.024 0.000 0.719 593 K HN 0.180 nan 8.250 nan 0.000 0.440 594 L N 2.601 123.813 121.223 -0.018 0.000 2.013 594 L HA -0.209 4.132 4.340 0.001 0.000 0.212 594 L C 1.568 178.434 176.870 -0.007 0.000 1.073 594 L CA 1.858 56.691 54.840 -0.012 0.000 0.753 594 L CB -0.742 41.307 42.059 -0.016 0.000 0.890 594 L HN 0.123 nan 8.230 nan 0.000 0.432 595 N N -1.059 117.636 118.700 -0.008 0.000 2.188 595 N HA -0.137 4.604 4.740 0.001 0.000 0.184 595 N C 1.740 177.250 175.510 -0.000 0.000 1.018 595 N CA 1.764 54.812 53.050 -0.003 0.000 0.858 595 N CB -0.771 37.713 38.487 -0.004 0.000 0.989 595 N HN 0.409 nan 8.380 nan 0.000 0.426 596 T N 0.924 115.476 114.554 -0.002 0.000 2.720 596 T HA -0.106 4.244 4.350 0.001 0.000 0.268 596 T C 1.939 176.641 174.700 0.002 0.000 1.037 596 T CA 1.535 63.635 62.100 0.001 0.000 1.144 596 T CB -0.351 68.516 68.868 -0.001 0.000 0.864 596 T HN 0.364 nan 8.240 nan 0.000 0.444 597 A N 1.034 123.853 122.820 -0.001 0.000 1.898 597 A HA 0.082 4.403 4.320 0.001 0.000 0.216 597 A C 2.308 179.891 177.584 -0.003 0.000 1.181 597 A CA 1.038 53.074 52.037 -0.002 0.000 0.620 597 A CB -0.781 18.217 19.000 -0.003 0.000 0.819 597 A HN 0.469 nan 8.150 nan 0.000 0.442 598 L N -0.279 120.946 121.223 0.002 0.000 2.131 598 L HA -0.140 4.201 4.340 0.001 0.000 0.210 598 L C 2.538 179.411 176.870 0.005 0.000 1.092 598 L CA 1.465 56.308 54.840 0.005 0.000 0.759 598 L CB -0.293 41.772 42.059 0.009 0.000 0.903 598 L HN 0.314 nan 8.230 nan 0.000 0.435 599 S N -0.831 114.875 115.700 0.009 0.000 2.496 599 S HA -0.001 4.470 4.470 0.001 0.000 0.224 599 S C 1.003 175.618 174.600 0.026 0.000 0.996 599 S CA 0.210 58.421 58.200 0.017 0.000 0.927 599 S CB -0.013 63.198 63.200 0.017 0.000 0.774 599 S HN 0.505 nan 8.310 nan 0.000 0.524 600 S N 1.080 116.793 115.700 0.021 0.000 2.601 600 S HA 0.363 4.834 4.470 0.001 0.000 0.271 600 S C 0.662 175.290 174.600 0.046 0.000 1.305 600 S CA -0.747 57.482 58.200 0.047 0.000 1.022 600 S CB 0.308 63.532 63.200 0.041 0.000 0.940 600 S HN 0.285 nan 8.310 nan 0.000 0.525 601 F N 2.188 122.113 119.950 -0.042 0.000 2.120 601 F HA 0.022 4.550 4.527 0.001 0.000 0.300 601 F C 1.435 177.177 175.800 -0.096 0.000 1.095 601 F CA 1.206 59.166 58.000 -0.067 0.000 1.249 601 F CB -0.798 38.172 39.000 -0.051 0.000 0.995 601 F HN 0.783 nan 8.300 nan 0.000 0.480 602 A N 1.009 123.750 122.820 -0.131 0.000 2.498 602 A HA 0.439 4.760 4.320 0.001 0.000 0.239 602 A C -0.526 176.908 177.584 -0.250 0.000 1.068 602 A CA -0.060 51.848 52.037 -0.215 0.000 0.766 602 A CB 0.038 19.034 19.000 -0.007 0.000 1.003 602 A HN 0.145 nan 8.150 nan 0.000 0.497 603 V N 3.418 123.158 119.914 -0.291 0.000 2.709 603 V HA 0.715 4.835 4.120 0.001 0.000 0.308 603 V C -0.196 175.849 176.094 -0.082 0.000 1.062 603 V CA -0.378 61.809 62.300 -0.188 0.000 0.901 603 V CB 1.557 33.204 31.823 -0.292 0.000 1.003 603 V HN 0.886 nan 8.190 nan 0.000 0.425 604 I N 2.454 123.016 120.570 -0.013 0.000 2.828 604 I HA 0.431 4.602 4.170 0.001 0.000 0.295 604 I C 0.381 176.524 176.117 0.045 0.000 1.459 604 I CA -0.036 61.270 61.300 0.009 0.000 1.015 604 I CB 2.259 40.261 38.000 0.004 0.000 1.345 604 I HN 0.760 nan 8.210 nan 0.000 0.449 605 S N 2.976 118.718 115.700 0.069 0.000 3.581 605 S HA -0.181 4.290 4.470 0.001 0.000 0.354 605 S C 1.018 175.674 174.600 0.092 0.000 1.059 605 S CA 1.533 59.805 58.200 0.120 0.000 1.060 605 S CB -0.820 62.512 63.200 0.220 0.000 0.908 605 S HN 0.842 nan 8.310 nan 0.000 0.475 606 E N 0.849 121.092 120.200 0.071 0.000 2.097 606 E HA -0.143 4.208 4.350 0.001 0.000 0.196 606 E C 1.780 178.419 176.600 0.064 0.000 1.000 606 E CA 1.692 58.131 56.400 0.066 0.000 0.804 606 E CB -0.083 29.655 29.700 0.064 0.000 0.740 606 E HN 0.665 nan 8.360 nan 0.000 0.454 607 K N -0.343 120.090 120.400 0.055 0.000 2.404 607 K HA 0.110 4.431 4.320 0.001 0.000 0.194 607 K C 0.787 177.442 176.600 0.092 0.000 1.023 607 K CA 0.020 56.342 56.287 0.058 0.000 1.094 607 K CB 0.738 33.254 32.500 0.026 0.000 0.841 607 K HN -0.038 nan 8.250 nan 0.000 0.523 608 V N -0.883 119.099 119.914 0.113 0.000 4.233 608 V HA 0.126 4.246 4.120 0.001 0.000 0.183 608 V C 1.677 177.889 176.094 0.196 0.000 1.097 608 V CA 0.743 63.130 62.300 0.145 0.000 1.385 608 V CB -0.307 31.577 31.823 0.101 0.000 1.805 608 V HN 0.107 nan 8.190 nan 0.000 0.496 609 A N -0.559 122.377 122.820 0.195 0.000 1.968 609 A HA -0.207 4.114 4.320 0.001 0.000 0.217 609 A C 2.095 179.740 177.584 0.102 0.000 1.169 609 A CA 2.192 54.301 52.037 0.120 0.000 0.638 609 A CB -0.450 18.557 19.000 0.011 0.000 0.812 609 A HN 0.650 nan 8.150 nan 0.000 0.446 610 Q N -0.735 119.123 119.800 0.098 0.000 2.033 610 Q HA -0.101 4.240 4.340 0.001 0.000 0.196 610 Q C 2.293 178.350 176.000 0.095 0.000 0.970 610 Q CA 1.567 57.413 55.803 0.072 0.000 0.828 610 Q CB -0.257 28.515 28.738 0.056 0.000 0.895 610 Q HN 0.551 nan 8.270 nan 0.000 0.440 611 S N -0.280 115.491 115.700 0.119 0.000 2.400 611 S HA -0.180 4.291 4.470 0.001 0.000 0.232 611 S C 1.641 176.347 174.600 0.177 0.000 1.025 611 S CA 1.126 59.399 58.200 0.120 0.000 0.993 611 S CB -0.534 62.736 63.200 0.117 0.000 0.808 611 S HN 0.543 nan 8.310 nan 0.000 0.478 612 F N 2.192 122.203 119.950 0.102 0.000 2.126 612 F HA -0.079 4.449 4.527 0.001 0.000 0.299 612 F C 1.754 177.640 175.800 0.143 0.000 1.096 612 F CA 1.615 59.719 58.000 0.174 0.000 1.255 612 F CB -0.456 38.624 39.000 0.134 0.000 0.997 612 F HN 0.249 nan 8.300 nan 0.000 0.479 613 I N -0.194 120.404 120.570 0.047 0.000 2.163 613 I HA -0.311 3.860 4.170 0.001 0.000 0.243 613 I C 2.401 178.467 176.117 -0.086 0.000 1.085 613 I CA 1.636 62.899 61.300 -0.061 0.000 1.347 613 I CB -0.689 37.301 38.000 -0.018 0.000 1.044 613 I HN 0.194 nan 8.210 nan 0.000 0.408 614 Q N 1.368 121.140 119.800 -0.045 0.000 2.119 614 Q HA -0.199 4.142 4.340 0.001 0.000 0.201 614 Q C 1.898 177.830 176.000 -0.114 0.000 0.972 614 Q CA 1.658 57.426 55.803 -0.058 0.000 0.847 614 Q CB -0.103 28.619 28.738 -0.028 0.000 0.903 614 Q HN 0.491 nan 8.270 nan 0.000 0.433 615 E N -0.396 119.715 120.200 -0.149 0.000 2.051 615 E HA -0.177 4.174 4.350 0.001 0.000 0.192 615 E C 1.868 178.188 176.600 -0.467 0.000 0.991 615 E CA 1.178 57.379 56.400 -0.332 0.000 0.799 615 E CB -0.259 29.262 29.700 -0.298 0.000 0.748 615 E HN 0.483 nan 8.360 nan 0.000 0.449 616 A N 0.973 123.603 122.820 -0.318 0.000 1.898 616 A HA -0.119 4.202 4.320 0.001 0.000 0.216 616 A C 2.181 179.748 177.584 -0.029 0.000 1.181 616 A CA 0.902 52.852 52.037 -0.144 0.000 0.620 616 A CB -0.590 18.333 19.000 -0.128 0.000 0.819 616 A HN 0.133 nan 8.150 nan 0.000 0.442 617 L N -0.210 120.978 121.223 -0.059 0.000 2.127 617 L HA -0.150 4.191 4.340 0.001 0.000 0.211 617 L C 2.248 179.123 176.870 0.008 0.000 1.089 617 L CA 1.429 56.261 54.840 -0.013 0.000 0.757 617 L CB -0.168 41.868 42.059 -0.038 0.000 0.899 617 L HN 0.295 nan 8.230 nan 0.000 0.434 618 S N -1.362 114.308 115.700 -0.049 0.000 2.575 618 S HA 0.082 4.553 4.470 0.001 0.000 0.215 618 S C 0.324 174.883 174.600 -0.068 0.000 0.966 618 S CA -0.303 57.859 58.200 -0.063 0.000 0.911 618 S CB -0.078 63.060 63.200 -0.102 0.000 0.780 618 S HN 0.162 nan 8.310 nan 0.000 0.514 619 F N 3.169 122.998 119.950 -0.202 0.000 2.410 619 F HA 0.431 4.959 4.527 0.001 0.000 0.348 619 F C -0.240 175.526 175.800 -0.056 0.000 1.106 619 F CA -0.865 57.016 58.000 -0.199 0.000 1.163 619 F CB 0.680 39.492 39.000 -0.313 0.000 1.129 619 F HN -0.116 nan 8.300 nan 0.000 0.516 620 D N 6.191 126.031 120.400 -0.934 0.000 2.473 620 D HA 0.113 4.753 4.640 0.001 0.000 0.253 620 D C 0.401 176.252 176.300 -0.749 0.000 1.233 620 D CA -0.383 53.261 54.000 -0.594 0.000 0.908 620 D CB 1.366 41.957 40.800 -0.349 0.000 1.170 620 D HN 0.592 nan 8.370 nan 0.000 0.558 621 L N 3.676 124.644 121.223 -0.424 0.000 2.265 621 L HA -0.076 4.265 4.340 0.001 0.000 0.215 621 L C 2.286 179.078 176.870 -0.129 0.000 1.117 621 L CA 2.183 56.933 54.840 -0.151 0.000 0.782 621 L CB -0.594 41.557 42.059 0.154 0.000 0.914 621 L HN 0.616 nan 8.230 nan 0.000 0.441 622 T N -3.841 110.618 114.554 -0.159 0.000 3.007 622 T HA -0.138 4.213 4.350 0.001 0.000 0.270 622 T C 1.694 176.331 174.700 -0.106 0.000 1.107 622 T CA 1.205 63.239 62.100 -0.110 0.000 1.118 622 T CB -0.506 68.293 68.868 -0.115 0.000 0.889 622 T HN 0.401 nan 8.240 nan 0.000 0.506 623 L N 0.044 121.175 121.223 -0.154 0.000 2.558 623 L HA 0.296 4.636 4.340 0.001 0.000 0.225 623 L C 0.883 177.698 176.870 -0.091 0.000 1.128 623 L CA -0.260 54.502 54.840 -0.129 0.000 0.868 623 L CB -0.368 41.587 42.059 -0.172 0.000 1.006 623 L HN 0.236 nan 8.230 nan 0.000 0.454 624 I N 0.000 120.525 120.570 -0.075 0.000 2.984 624 I HA 0.000 4.171 4.170 0.001 0.000 0.288 624 I CA 0.000 61.293 61.300 -0.012 0.000 1.566 624 I CB 0.000 38.032 38.000 0.054 0.000 1.214 624 I HN 0.000 nan 8.210 nan 0.000 0.494