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 1w63_1_L DATA FIRST_RESID 2 DATA SEQUENCE TDSKYFTTTK KGEIFELKAE LNSDKKEKKK EAVKKVIASM TVGKDVSALF DATA SEQUENCE PDVVNCMQTD NLELKKLVYL YLMNYAKSQP DMAIMAVNTF VKDCEDPNPL DATA SEQUENCE IRALAVRTMG CIRVDKITEY LCEPLRKCLK DEDPYVRKTA AVCVAKLHDI DATA SEQUENCE NAQMVEDQGF LDTLKDLISD SNPMVVANRV AALSEIAESH PSSNLLDLKA DATA SEQUENCE QSINKLLTAL NECTEWAQIF ILDCLGNYMP KDDREAQSIC ERVTPRLSHA DATA SEQUENCE NSAVVLSAVK VLMKFMXXXX XXXDYYATLL KKLAPPLVTL LSAEPEPQYV DATA SEQUENCE PLRNINLIVQ KRPEILKHEM KVFFVKYNDP IYVKLEKLDI MIRLASQANI DATA SEQUENCE AQVLAELKEY ATEVDVDFVR KAVRAIGRCA IKVEQSAERC VSTLLDLIQT DATA SEQUENCE KVNYVVQEAI VVIKDIFRKY PNKYESVIAT LCENLDSDDE PEARAAMIWI DATA SEQUENCE VGEYAERSDN ADELLESFLD GFHDESTQVQ LQLLTAIVKL FLKKPTETQE DATA SEQUENCE LVQQVLSLAT QDSDNPDLRD RGYIYWRLLS TDPVAAKEVV LAEKPLISEE DATA SEQUENCE TDLIEPTLLD ELICYIGTLA SVYHKPPNAF VEG 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 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.700 174.700 0.000 0.000 1.109 2 T CA 0.000 62.103 62.100 0.006 0.000 1.349 2 T CB 0.000 68.871 68.868 0.004 0.000 0.612 3 D N 0.148 120.544 120.400 -0.007 0.000 2.896 3 D HA 0.626 5.266 4.640 -0.000 0.000 0.241 3 D C -1.069 175.207 176.300 -0.040 0.000 1.188 3 D CA -0.606 53.379 54.000 -0.024 0.000 0.879 3 D CB 1.820 42.596 40.800 -0.039 0.000 1.553 3 D HN 0.075 nan 8.370 nan 0.000 0.515 4 S N 1.616 117.292 115.700 -0.040 0.000 2.689 4 S HA 0.487 4.957 4.470 -0.000 0.000 0.274 4 S C -1.540 173.031 174.600 -0.049 0.000 1.176 4 S CA -0.737 57.432 58.200 -0.052 0.000 1.014 4 S CB 0.526 63.787 63.200 0.102 0.000 1.071 4 S HN 0.428 nan 8.310 nan 0.000 0.478 5 K N 3.650 123.936 120.400 -0.190 0.000 2.805 5 K HA 0.219 4.539 4.320 -0.000 0.000 0.276 5 K C -1.706 174.802 176.600 -0.152 0.000 1.209 5 K CA -0.356 55.888 56.287 -0.072 0.000 1.065 5 K CB 0.800 33.266 32.500 -0.056 0.000 1.363 5 K HN 0.510 nan 8.250 nan 0.000 0.546 6 Y N 0.335 120.669 120.300 0.056 0.000 2.408 6 Y HA 0.322 4.872 4.550 -0.000 0.000 0.324 6 Y C 0.930 176.910 175.900 0.133 0.000 1.302 6 Y CA -0.312 57.797 58.100 0.015 0.000 1.384 6 Y CB 0.416 38.865 38.460 -0.017 0.000 1.367 6 Y HN 0.427 nan 8.280 nan 0.000 0.525 7 F N -0.737 119.314 119.950 0.169 0.000 3.093 7 F HA -0.259 4.268 4.527 -0.000 0.000 0.287 7 F C -0.048 175.783 175.800 0.051 0.000 0.882 7 F CA 1.158 59.212 58.000 0.090 0.000 1.063 7 F CB -1.809 37.242 39.000 0.085 0.000 1.097 7 F HN 0.461 nan 8.300 nan 0.000 0.604 8 T N -1.218 113.413 114.554 0.128 0.000 3.839 8 T HA 0.275 4.625 4.350 -0.000 0.000 0.230 8 T C -0.072 174.637 174.700 0.014 0.000 1.095 8 T CA -0.269 61.880 62.100 0.081 0.000 1.470 8 T CB 0.749 69.655 68.868 0.064 0.000 0.881 8 T HN 0.045 nan 8.240 nan 0.000 0.637 9 T N 1.459 116.012 114.554 -0.003 0.000 2.823 9 T HA 0.362 4.712 4.350 -0.000 0.000 0.279 9 T C 0.851 175.512 174.700 -0.065 0.000 0.998 9 T CA -0.618 61.449 62.100 -0.054 0.000 0.994 9 T CB 1.589 70.402 68.868 -0.092 0.000 0.960 9 T HN 0.110 nan 8.240 nan 0.000 0.448 10 T N 2.397 116.901 114.554 -0.083 0.000 3.312 10 T HA 0.144 4.494 4.350 -0.000 0.000 0.251 10 T C 1.394 175.912 174.700 -0.303 0.000 1.012 10 T CA -0.006 62.042 62.100 -0.086 0.000 0.925 10 T CB -0.033 68.830 68.868 -0.009 0.000 1.049 10 T HN 0.454 nan 8.240 nan 0.000 0.583 11 K N 0.781 120.946 120.400 -0.393 0.000 2.244 11 K HA 0.247 4.567 4.320 -0.000 0.000 0.200 11 K C 0.955 176.940 176.600 -1.024 0.000 1.052 11 K CA 0.497 56.409 56.287 -0.625 0.000 0.980 11 K CB 0.596 32.903 32.500 -0.323 0.000 0.838 11 K HN 0.174 nan 8.250 nan 0.000 0.481 12 K N -1.214 118.866 120.400 -0.534 0.000 2.373 12 K HA 0.389 4.708 4.320 -0.000 0.000 0.274 12 K C -1.190 175.429 176.600 0.033 0.000 1.024 12 K CA -0.158 55.982 56.287 -0.245 0.000 0.867 12 K CB 1.882 34.322 32.500 -0.101 0.000 1.524 12 K HN 0.152 nan 8.250 nan 0.000 0.406 13 G N 0.970 109.855 108.800 0.142 0.000 2.756 13 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.678 13 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.678 13 G C 0.281 175.282 174.900 0.169 0.000 1.349 13 G CA 0.086 45.270 45.100 0.139 0.000 0.847 13 G HN 0.628 nan 8.290 nan 0.000 0.548 14 E N -0.290 119.983 120.200 0.122 0.000 2.194 14 E HA -0.317 4.033 4.350 -0.000 0.000 0.246 14 E C 2.618 179.289 176.600 0.118 0.000 0.974 14 E CA 2.052 58.512 56.400 0.100 0.000 0.949 14 E CB -0.503 29.245 29.700 0.081 0.000 0.896 14 E HN 0.664 nan 8.360 nan 0.000 0.550 15 I N 0.280 120.922 120.570 0.119 0.000 2.576 15 I HA -0.409 3.761 4.170 -0.000 0.000 0.221 15 I C 2.371 178.587 176.117 0.163 0.000 0.924 15 I CA 2.198 63.575 61.300 0.128 0.000 1.228 15 I CB -0.691 37.392 38.000 0.139 0.000 0.939 15 I HN 0.120 nan 8.210 nan 0.000 0.375 16 F N 1.508 121.475 119.950 0.029 0.000 2.021 16 F HA -0.381 4.146 4.527 -0.000 0.000 0.297 16 F C 2.523 178.332 175.800 0.015 0.000 1.152 16 F CA 2.494 60.507 58.000 0.021 0.000 1.201 16 F CB -0.870 38.143 39.000 0.021 0.000 0.951 16 F HN 0.179 nan 8.300 nan 0.000 0.504 17 E N 0.356 120.623 120.200 0.112 0.000 2.351 17 E HA -0.294 4.056 4.350 -0.000 0.000 0.249 17 E C 2.086 178.624 176.600 -0.102 0.000 1.062 17 E CA 2.772 59.159 56.400 -0.022 0.000 1.066 17 E CB -1.000 28.732 29.700 0.053 0.000 0.955 17 E HN 0.363 nan 8.360 nan 0.000 0.504 18 L N 0.465 121.662 121.223 -0.042 0.000 1.970 18 L HA -0.183 4.157 4.340 -0.000 0.000 0.212 18 L C 2.556 179.371 176.870 -0.092 0.000 1.071 18 L CA 2.319 57.126 54.840 -0.056 0.000 0.751 18 L CB -1.629 40.414 42.059 -0.025 0.000 0.889 18 L HN 0.326 nan 8.230 nan 0.000 0.432 19 K N -0.166 120.188 120.400 -0.077 0.000 2.044 19 K HA -0.308 4.012 4.320 -0.000 0.000 0.224 19 K C 2.039 178.545 176.600 -0.156 0.000 1.056 19 K CA 2.487 58.721 56.287 -0.087 0.000 0.962 19 K CB -0.133 32.343 32.500 -0.039 0.000 0.730 19 K HN 0.298 nan 8.250 nan 0.000 0.453 20 A N 0.941 123.586 122.820 -0.292 0.000 1.834 20 A HA -0.242 4.078 4.320 -0.000 0.000 0.216 20 A C 1.954 179.431 177.584 -0.177 0.000 1.203 20 A CA 1.930 53.792 52.037 -0.291 0.000 0.621 20 A CB -0.906 17.811 19.000 -0.473 0.000 0.841 20 A HN 0.640 nan 8.150 nan 0.000 0.446 21 E N -0.939 119.163 120.200 -0.163 0.000 2.483 21 E HA -0.211 4.139 4.350 -0.000 0.000 0.205 21 E C 1.507 178.057 176.600 -0.085 0.000 1.075 21 E CA 0.913 57.250 56.400 -0.105 0.000 0.889 21 E CB -0.162 29.487 29.700 -0.086 0.000 0.816 21 E HN 0.475 nan 8.360 nan 0.000 0.567 22 L N 0.577 121.745 121.223 -0.092 0.000 2.145 22 L HA 0.021 4.361 4.340 -0.000 0.000 0.201 22 L C 1.432 178.263 176.870 -0.066 0.000 1.075 22 L CA 1.340 56.135 54.840 -0.075 0.000 0.773 22 L CB -0.150 41.863 42.059 -0.076 0.000 0.936 22 L HN 0.026 nan 8.230 nan 0.000 0.451 23 N N 0.019 118.676 118.700 -0.071 0.000 2.521 23 N HA -0.026 4.714 4.740 -0.000 0.000 0.188 23 N C 1.037 176.515 175.510 -0.052 0.000 1.146 23 N CA 0.687 53.702 53.050 -0.059 0.000 0.893 23 N CB -0.304 38.148 38.487 -0.058 0.000 0.975 23 N HN 0.536 nan 8.380 nan 0.000 0.451 24 S N 0.598 116.264 115.700 -0.057 0.000 2.731 24 S HA -0.033 4.437 4.470 -0.000 0.000 0.249 24 S C 0.858 175.435 174.600 -0.037 0.000 1.390 24 S CA 0.133 58.305 58.200 -0.048 0.000 0.964 24 S CB 0.810 63.980 63.200 -0.049 0.000 0.965 24 S HN 0.064 nan 8.310 nan 0.000 0.579 25 D N 0.316 120.697 120.400 -0.032 0.000 2.296 25 D HA 0.080 4.720 4.640 -0.000 0.000 0.248 25 D C 0.234 176.519 176.300 -0.025 0.000 1.162 25 D CA 0.169 54.153 54.000 -0.026 0.000 0.956 25 D CB -0.685 40.101 40.800 -0.022 0.000 1.011 25 D HN 0.678 nan 8.370 nan 0.000 0.404 26 K N 2.364 122.750 120.400 -0.023 0.000 2.454 26 K HA -0.201 4.119 4.320 -0.000 0.000 0.261 26 K C 1.461 178.047 176.600 -0.023 0.000 1.053 26 K CA 0.306 56.581 56.287 -0.021 0.000 1.159 26 K CB 0.478 32.965 32.500 -0.021 0.000 0.786 26 K HN 0.158 nan 8.250 nan 0.000 0.485 27 K N 3.635 124.022 120.400 -0.021 0.000 2.074 27 K HA -0.241 4.079 4.320 -0.000 0.000 0.209 27 K C 1.026 177.613 176.600 -0.022 0.000 1.048 27 K CA 1.354 57.629 56.287 -0.021 0.000 0.926 27 K CB -0.127 32.361 32.500 -0.019 0.000 0.713 27 K HN 0.523 nan 8.250 nan 0.000 0.444 28 E N 1.654 121.842 120.200 -0.020 0.000 2.068 28 E HA -0.213 4.137 4.350 -0.000 0.000 0.207 28 E C 1.910 178.496 176.600 -0.023 0.000 1.032 28 E CA 1.455 57.843 56.400 -0.020 0.000 0.839 28 E CB -0.254 29.435 29.700 -0.018 0.000 0.758 28 E HN 0.323 nan 8.360 nan 0.000 0.457 29 K N 1.195 121.580 120.400 -0.026 0.000 1.988 29 K HA -0.186 4.134 4.320 -0.000 0.000 0.221 29 K C 2.108 178.687 176.600 -0.035 0.000 1.053 29 K CA 1.577 57.845 56.287 -0.031 0.000 0.959 29 K CB -0.823 31.656 32.500 -0.036 0.000 0.728 29 K HN 0.174 nan 8.250 nan 0.000 0.447 30 K N 1.326 121.704 120.400 -0.037 0.000 2.090 30 K HA -0.254 4.066 4.320 -0.000 0.000 0.218 30 K C 2.241 178.819 176.600 -0.036 0.000 1.055 30 K CA 2.101 58.364 56.287 -0.039 0.000 0.941 30 K CB -0.321 32.158 32.500 -0.034 0.000 0.722 30 K HN 0.183 nan 8.250 nan 0.000 0.458 31 K N 1.111 121.494 120.400 -0.028 0.000 1.974 31 K HA -0.215 4.105 4.320 -0.000 0.000 0.226 31 K C 2.128 178.712 176.600 -0.027 0.000 1.039 31 K CA 2.051 58.324 56.287 -0.023 0.000 1.022 31 K CB -0.350 32.139 32.500 -0.019 0.000 0.746 31 K HN 0.219 nan 8.250 nan 0.000 0.445 32 E N 0.409 120.594 120.200 -0.024 0.000 2.082 32 E HA -0.350 4.000 4.350 -0.000 0.000 0.215 32 E C 2.043 178.624 176.600 -0.032 0.000 1.048 32 E CA 1.562 57.947 56.400 -0.024 0.000 0.869 32 E CB -0.426 29.261 29.700 -0.022 0.000 0.773 32 E HN 0.442 nan 8.360 nan 0.000 0.466 33 A N 1.013 123.810 122.820 -0.038 0.000 1.879 33 A HA -0.327 3.993 4.320 -0.000 0.000 0.222 33 A C 2.555 180.101 177.584 -0.063 0.000 1.368 33 A CA 2.720 54.727 52.037 -0.049 0.000 0.707 33 A CB -1.399 17.567 19.000 -0.056 0.000 0.846 33 A HN 0.178 nan 8.150 nan 0.000 0.468 34 V N 0.243 120.114 119.914 -0.073 0.000 2.233 34 V HA -0.426 3.694 4.120 -0.000 0.000 0.252 34 V C 2.479 178.521 176.094 -0.086 0.000 1.063 34 V CA 2.829 65.067 62.300 -0.103 0.000 1.032 34 V CB -0.992 30.784 31.823 -0.079 0.000 0.645 34 V HN 0.639 nan 8.190 nan 0.000 0.446 35 K N -0.098 120.273 120.400 -0.048 0.000 2.030 35 K HA -0.325 3.995 4.320 -0.000 0.000 0.222 35 K C 2.192 178.772 176.600 -0.035 0.000 1.056 35 K CA 2.366 58.635 56.287 -0.030 0.000 0.957 35 K CB -0.421 32.067 32.500 -0.019 0.000 0.727 35 K HN 0.458 nan 8.250 nan 0.000 0.452 36 K N 0.656 121.034 120.400 -0.036 0.000 2.127 36 K HA -0.180 4.140 4.320 -0.000 0.000 0.208 36 K C 2.119 178.695 176.600 -0.040 0.000 1.047 36 K CA 1.685 57.954 56.287 -0.030 0.000 0.927 36 K CB -0.347 32.137 32.500 -0.026 0.000 0.716 36 K HN -0.006 nan 8.250 nan 0.000 0.450 37 V N 3.093 122.964 119.914 -0.073 0.000 2.232 37 V HA -0.342 3.778 4.120 -0.000 0.000 0.241 37 V C 2.357 178.409 176.094 -0.070 0.000 1.036 37 V CA 2.204 64.442 62.300 -0.104 0.000 0.993 37 V CB -0.907 30.773 31.823 -0.238 0.000 0.639 37 V HN 0.347 nan 8.190 nan 0.000 0.459 38 I N 1.072 121.597 120.570 -0.075 0.000 2.121 38 I HA -0.356 3.814 4.170 -0.000 0.000 0.243 38 I C 2.511 178.629 176.117 0.001 0.000 1.047 38 I CA 2.853 64.157 61.300 0.007 0.000 1.308 38 I CB -2.188 35.835 38.000 0.039 0.000 1.015 38 I HN 0.341 nan 8.210 nan 0.000 0.410 39 A N 1.518 124.334 122.820 -0.006 0.000 1.849 39 A HA -0.256 4.064 4.320 -0.000 0.000 0.216 39 A C 2.520 180.104 177.584 -0.001 0.000 1.225 39 A CA 3.294 55.329 52.037 -0.003 0.000 0.653 39 A CB -1.517 17.480 19.000 -0.005 0.000 0.844 39 A HN 0.583 nan 8.150 nan 0.000 0.453 40 S N -0.922 114.776 115.700 -0.003 0.000 2.444 40 S HA -0.271 4.199 4.470 -0.000 0.000 0.244 40 S C 1.822 176.428 174.600 0.010 0.000 1.025 40 S CA 1.894 60.096 58.200 0.004 0.000 0.995 40 S CB -0.565 62.637 63.200 0.004 0.000 0.781 40 S HN 0.633 nan 8.310 nan 0.000 0.496 41 M N 1.340 120.944 119.600 0.007 0.000 2.095 41 M HA -0.129 4.351 4.480 -0.000 0.000 0.257 41 M C 2.546 178.845 176.300 -0.002 0.000 1.089 41 M CA 2.177 57.482 55.300 0.009 0.000 1.138 41 M CB -1.077 31.526 32.600 0.005 0.000 1.303 41 M HN 0.390 nan 8.290 nan 0.000 0.422 42 T N -0.358 114.192 114.554 -0.007 0.000 2.680 42 T HA -0.168 4.182 4.350 -0.000 0.000 0.268 42 T C 1.602 176.301 174.700 -0.001 0.000 1.033 42 T CA 2.214 64.309 62.100 -0.008 0.000 1.152 42 T CB -1.618 67.248 68.868 -0.003 0.000 0.859 42 T HN 0.346 nan 8.240 nan 0.000 0.452 43 V N 1.306 121.222 119.914 0.002 0.000 2.867 43 V HA 0.203 4.323 4.120 -0.000 0.000 0.260 43 V C 2.400 178.498 176.094 0.006 0.000 1.099 43 V CA 1.345 63.647 62.300 0.004 0.000 1.122 43 V CB -1.320 30.506 31.823 0.004 0.000 0.708 43 V HN 1.034 nan 8.190 nan 0.000 0.490 44 G N -0.323 108.482 108.800 0.008 0.000 2.205 44 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.180 44 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.180 44 G C 0.291 175.202 174.900 0.019 0.000 1.004 44 G CA 0.137 45.245 45.100 0.012 0.000 0.670 44 G HN 0.490 nan 8.290 nan 0.000 0.496 45 K N 0.381 120.794 120.400 0.022 0.000 2.136 45 K HA 0.432 4.752 4.320 -0.000 0.000 0.237 45 K C -0.745 175.884 176.600 0.048 0.000 1.048 45 K CA -0.020 56.286 56.287 0.031 0.000 0.880 45 K CB 0.380 32.899 32.500 0.031 0.000 1.105 45 K HN 0.059 nan 8.250 nan 0.000 0.507 46 D N 0.526 120.962 120.400 0.061 0.000 2.303 46 D HA 0.176 4.816 4.640 -0.000 0.000 0.236 46 D C 0.037 176.407 176.300 0.116 0.000 1.068 46 D CA -0.624 53.428 54.000 0.087 0.000 0.830 46 D CB 1.544 42.389 40.800 0.075 0.000 1.109 46 D HN 0.255 nan 8.370 nan 0.000 0.496 47 V N 1.440 121.458 119.914 0.173 0.000 3.477 47 V HA 0.121 4.241 4.120 -0.000 0.000 0.297 47 V C 1.897 178.181 176.094 0.317 0.000 1.433 47 V CA 0.513 62.952 62.300 0.232 0.000 1.052 47 V CB -0.513 31.472 31.823 0.270 0.000 0.895 47 V HN 0.556 nan 8.190 nan 0.000 0.438 48 S N 2.712 118.566 115.700 0.256 0.000 2.406 48 S HA -0.367 4.103 4.470 -0.000 0.000 0.242 48 S C 2.021 176.742 174.600 0.201 0.000 1.079 48 S CA 2.518 60.821 58.200 0.173 0.000 1.133 48 S CB -1.223 62.026 63.200 0.081 0.000 1.005 48 S HN 1.346 nan 8.310 nan 0.000 0.443 49 A N 3.034 125.961 122.820 0.179 0.000 2.240 49 A HA -0.023 4.297 4.320 -0.000 0.000 0.199 49 A C 2.298 180.022 177.584 0.233 0.000 1.172 49 A CA 1.870 54.011 52.037 0.174 0.000 0.807 49 A CB -1.498 17.584 19.000 0.137 0.000 0.830 49 A HN 0.657 nan 8.150 nan 0.000 0.527 50 L N -1.929 119.411 121.223 0.196 0.000 2.285 50 L HA -0.370 3.970 4.340 -0.000 0.000 0.224 50 L C 2.351 179.364 176.870 0.238 0.000 1.096 50 L CA 2.240 57.179 54.840 0.165 0.000 0.820 50 L CB -1.086 41.033 42.059 0.100 0.000 0.899 50 L HN 0.621 nan 8.230 nan 0.000 0.448 51 F N 0.746 120.845 119.950 0.249 0.000 2.138 51 F HA -0.328 4.199 4.527 -0.000 0.000 0.290 51 F C -0.165 175.751 175.800 0.193 0.000 1.133 51 F CA 2.869 61.064 58.000 0.325 0.000 1.280 51 F CB -2.027 37.080 39.000 0.180 0.000 0.924 51 F HN 0.051 nan 8.300 nan 0.000 0.528 52 P HA -0.225 nan 4.420 nan 0.000 0.205 52 P C 1.162 178.342 177.300 -0.200 0.000 1.046 52 P CA 2.723 65.670 63.100 -0.255 0.000 0.968 52 P CB -0.257 31.424 31.700 -0.032 0.000 0.753 53 D N -1.324 119.028 120.400 -0.081 0.000 2.292 53 D HA -0.141 4.499 4.640 -0.000 0.000 0.205 53 D C 1.697 177.948 176.300 -0.081 0.000 0.994 53 D CA 0.911 54.870 54.000 -0.067 0.000 0.897 53 D CB -0.771 40.007 40.800 -0.037 0.000 0.907 53 D HN 0.021 nan 8.370 nan 0.000 0.467 54 V N -0.125 119.738 119.914 -0.084 0.000 2.255 54 V HA -0.208 3.912 4.120 -0.000 0.000 0.243 54 V C 2.508 178.567 176.094 -0.058 0.000 1.038 54 V CA 1.036 63.291 62.300 -0.075 0.000 1.008 54 V CB -0.710 31.073 31.823 -0.066 0.000 0.645 54 V HN 0.102 nan 8.190 nan 0.000 0.449 55 V N 1.122 120.962 119.914 -0.122 0.000 2.231 55 V HA -0.365 3.755 4.120 -0.000 0.000 0.250 55 V C 1.888 177.917 176.094 -0.108 0.000 1.058 55 V CA 2.615 64.829 62.300 -0.143 0.000 1.022 55 V CB -1.280 30.333 31.823 -0.350 0.000 0.640 55 V HN 0.663 nan 8.190 nan 0.000 0.445 56 N N -1.020 117.602 118.700 -0.131 0.000 2.717 56 N HA -0.162 4.578 4.740 -0.000 0.000 0.197 56 N C 1.094 176.568 175.510 -0.060 0.000 1.215 56 N CA 0.807 53.803 53.050 -0.090 0.000 0.949 56 N CB -0.279 38.157 38.487 -0.086 0.000 0.999 56 N HN 0.534 nan 8.380 nan 0.000 0.448 57 C N 0.139 119.409 119.300 -0.050 0.000 2.778 57 C HA 0.325 4.785 4.460 -0.000 0.000 0.294 57 C C 1.864 176.845 174.990 -0.014 0.000 1.331 57 C CA -0.599 58.400 59.018 -0.033 0.000 1.741 57 C CB -1.053 26.666 27.740 -0.034 0.000 2.106 57 C HN 0.339 nan 8.230 nan 0.000 0.603 58 M N 1.679 121.267 119.600 -0.020 0.000 2.115 58 M HA 0.001 4.481 4.480 -0.000 0.000 0.261 58 M C 1.910 178.207 176.300 -0.005 0.000 1.079 58 M CA 1.755 57.053 55.300 -0.003 0.000 1.143 58 M CB -0.570 32.009 32.600 -0.034 0.000 1.332 58 M HN 0.526 nan 8.290 nan 0.000 0.421 59 Q N 1.516 121.304 119.800 -0.020 0.000 2.417 59 Q HA 0.056 4.396 4.340 -0.000 0.000 0.183 59 Q C -0.662 175.330 176.000 -0.015 0.000 0.908 59 Q CA 0.397 56.190 55.803 -0.017 0.000 0.994 59 Q CB -1.305 27.420 28.738 -0.022 0.000 1.557 59 Q HN 0.352 nan 8.270 nan 0.000 0.382 60 T N -0.672 113.875 114.554 -0.011 0.000 2.678 60 T HA 0.305 4.655 4.350 -0.000 0.000 0.260 60 T C -0.025 174.667 174.700 -0.014 0.000 0.932 60 T CA -0.492 61.600 62.100 -0.013 0.000 1.043 60 T CB 1.501 70.361 68.868 -0.013 0.000 1.413 60 T HN 0.277 nan 8.240 nan 0.000 0.568 61 D N -0.328 120.062 120.400 -0.017 0.000 3.018 61 D HA 0.077 4.717 4.640 -0.000 0.000 0.198 61 D C -0.449 175.834 176.300 -0.028 0.000 1.474 61 D CA -0.176 53.811 54.000 -0.022 0.000 1.429 61 D CB -0.182 40.606 40.800 -0.020 0.000 1.289 61 D HN 0.354 nan 8.370 nan 0.000 0.310 62 N N 3.707 122.392 118.700 -0.025 0.000 2.034 62 N HA -0.109 4.631 4.740 -0.000 0.000 0.293 62 N C 1.716 177.205 175.510 -0.035 0.000 1.336 62 N CA 0.286 53.319 53.050 -0.028 0.000 0.819 62 N CB 0.815 39.288 38.487 -0.023 0.000 1.071 62 N HN 0.286 nan 8.380 nan 0.000 0.495 63 L N 1.236 122.432 121.223 -0.045 0.000 2.017 63 L HA -0.379 3.961 4.340 -0.000 0.000 0.234 63 L C 2.291 179.133 176.870 -0.047 0.000 1.097 63 L CA 2.161 56.966 54.840 -0.059 0.000 0.816 63 L CB -0.633 41.389 42.059 -0.062 0.000 0.914 63 L HN 0.602 nan 8.230 nan 0.000 0.444 64 E N 0.185 120.364 120.200 -0.035 0.000 2.365 64 E HA -0.357 3.993 4.350 -0.000 0.000 0.252 64 E C 1.873 178.465 176.600 -0.014 0.000 1.017 64 E CA 2.658 59.044 56.400 -0.023 0.000 1.051 64 E CB -0.873 28.815 29.700 -0.020 0.000 0.978 64 E HN 0.346 nan 8.360 nan 0.000 0.523 65 L N 0.039 121.255 121.223 -0.012 0.000 1.944 65 L HA -0.310 4.030 4.340 -0.000 0.000 0.218 65 L C 2.463 179.342 176.870 0.015 0.000 1.075 65 L CA 2.594 57.434 54.840 0.001 0.000 0.767 65 L CB -0.570 41.486 42.059 -0.005 0.000 0.890 65 L HN 0.270 nan 8.230 nan 0.000 0.434 66 K N 0.231 120.629 120.400 -0.003 0.000 2.090 66 K HA -0.342 3.978 4.320 -0.000 0.000 0.218 66 K C 2.126 178.727 176.600 0.001 0.000 1.055 66 K CA 2.495 58.777 56.287 -0.008 0.000 0.941 66 K CB -0.387 32.071 32.500 -0.071 0.000 0.722 66 K HN 0.333 nan 8.250 nan 0.000 0.458 67 K N -0.194 120.183 120.400 -0.038 0.000 2.001 67 K HA -0.042 4.278 4.320 -0.000 0.000 0.208 67 K C 2.101 178.783 176.600 0.136 0.000 1.048 67 K CA 1.379 57.662 56.287 -0.008 0.000 0.932 67 K CB -0.203 32.274 32.500 -0.038 0.000 0.715 67 K HN 0.103 nan 8.250 nan 0.000 0.437 68 L N 0.861 122.138 121.223 0.091 0.000 1.991 68 L HA -0.324 4.016 4.340 -0.000 0.000 0.221 68 L C 2.372 179.354 176.870 0.186 0.000 1.079 68 L CA 1.827 56.732 54.840 0.108 0.000 0.778 68 L CB -1.139 40.953 42.059 0.055 0.000 0.893 68 L HN 0.117 nan 8.230 nan 0.000 0.437 69 V N -0.966 119.062 119.914 0.190 0.000 2.236 69 V HA -0.399 3.721 4.120 -0.000 0.000 0.255 69 V C 2.225 178.544 176.094 0.376 0.000 1.068 69 V CA 2.422 64.879 62.300 0.261 0.000 1.044 69 V CB -1.046 30.930 31.823 0.255 0.000 0.653 69 V HN 0.245 nan 8.190 nan 0.000 0.448 70 Y N -0.011 120.391 120.300 0.170 0.000 1.977 70 Y HA -0.281 4.269 4.550 -0.000 0.000 0.264 70 Y C 2.488 178.497 175.900 0.182 0.000 1.167 70 Y CA 1.688 59.905 58.100 0.194 0.000 1.102 70 Y CB -1.044 37.509 38.460 0.155 0.000 0.948 70 Y HN 0.071 nan 8.280 nan 0.000 0.489 71 L N -1.432 119.971 121.223 0.301 0.000 2.030 71 L HA -0.390 3.950 4.340 -0.000 0.000 0.222 71 L C 2.337 179.323 176.870 0.193 0.000 1.082 71 L CA 2.262 57.219 54.840 0.195 0.000 0.785 71 L CB -1.187 40.964 42.059 0.153 0.000 0.895 71 L HN 0.365 nan 8.230 nan 0.000 0.439 72 Y N 0.792 121.141 120.300 0.081 0.000 1.956 72 Y HA -0.349 4.201 4.550 -0.000 0.000 0.258 72 Y C 2.498 178.447 175.900 0.081 0.000 1.152 72 Y CA 2.000 60.130 58.100 0.051 0.000 1.093 72 Y CB -0.992 37.527 38.460 0.098 0.000 0.945 72 Y HN -0.012 nan 8.280 nan 0.000 0.488 73 L N -0.668 120.571 121.223 0.027 0.000 2.010 73 L HA -0.380 3.960 4.340 -0.000 0.000 0.219 73 L C 2.650 179.508 176.870 -0.019 0.000 1.077 73 L CA 2.074 56.896 54.840 -0.030 0.000 0.773 73 L CB -0.876 41.235 42.059 0.086 0.000 0.892 73 L HN 0.442 nan 8.230 nan 0.000 0.436 74 M N 0.534 120.140 119.600 0.010 0.000 2.471 74 M HA -0.351 4.129 4.480 -0.000 0.000 0.260 74 M C 1.894 178.181 176.300 -0.021 0.000 1.065 74 M CA 2.343 57.643 55.300 0.000 0.000 1.075 74 M CB -0.819 31.807 32.600 0.044 0.000 1.258 74 M HN 0.244 nan 8.290 nan 0.000 0.457 75 N N -1.676 116.996 118.700 -0.048 0.000 2.049 75 N HA -0.258 4.482 4.740 -0.000 0.000 0.198 75 N C 1.482 176.948 175.510 -0.073 0.000 1.030 75 N CA 1.797 54.794 53.050 -0.088 0.000 0.870 75 N CB -0.557 37.835 38.487 -0.158 0.000 1.045 75 N HN 0.402 nan 8.380 nan 0.000 0.434 76 Y N 1.620 121.831 120.300 -0.148 0.000 2.736 76 Y HA -0.070 4.480 4.550 -0.000 0.000 0.298 76 Y C 2.056 177.874 175.900 -0.137 0.000 1.156 76 Y CA 0.057 58.050 58.100 -0.179 0.000 1.384 76 Y CB -1.000 37.281 38.460 -0.297 0.000 0.976 76 Y HN 0.109 nan 8.280 nan 0.000 0.556 77 A N 0.763 123.605 122.820 0.037 0.000 1.953 77 A HA -0.265 4.055 4.320 -0.000 0.000 0.212 77 A C 2.394 179.969 177.584 -0.016 0.000 1.250 77 A CA 2.129 54.160 52.037 -0.011 0.000 0.726 77 A CB -0.555 18.429 19.000 -0.027 0.000 0.837 77 A HN 0.190 nan 8.150 nan 0.000 0.481 78 K N 0.498 120.890 120.400 -0.013 0.000 2.147 78 K HA -0.088 4.232 4.320 -0.000 0.000 0.205 78 K C 2.372 178.967 176.600 -0.009 0.000 1.049 78 K CA 1.459 57.736 56.287 -0.016 0.000 0.936 78 K CB -0.852 31.640 32.500 -0.014 0.000 0.722 78 K HN 0.736 nan 8.250 nan 0.000 0.446 79 S N 1.492 117.199 115.700 0.012 0.000 2.436 79 S HA -0.179 4.291 4.470 -0.000 0.000 0.215 79 S C 0.991 175.587 174.600 -0.006 0.000 1.047 79 S CA 0.774 58.989 58.200 0.024 0.000 1.086 79 S CB -0.427 62.823 63.200 0.083 0.000 1.072 79 S HN 0.291 nan 8.310 nan 0.000 0.411 80 Q N 1.760 121.546 119.800 -0.024 0.000 2.788 80 Q HA 0.407 4.747 4.340 -0.000 0.000 0.285 80 Q C -2.262 173.639 176.000 -0.165 0.000 1.063 80 Q CA -1.904 53.823 55.803 -0.127 0.000 0.958 80 Q CB 1.433 30.031 28.738 -0.233 0.000 1.211 80 Q HN 0.318 nan 8.270 nan 0.000 0.478 81 P HA -0.283 nan 4.420 nan 0.000 0.218 81 P C 0.505 177.727 177.300 -0.129 0.000 1.154 81 P CA 1.399 64.440 63.100 -0.099 0.000 0.872 81 P CB 0.279 31.936 31.700 -0.073 0.000 0.790 82 D N -0.818 119.499 120.400 -0.138 0.000 2.204 82 D HA -0.234 4.406 4.640 -0.000 0.000 0.189 82 D C 1.858 178.046 176.300 -0.186 0.000 1.006 82 D CA 1.597 55.511 54.000 -0.144 0.000 0.855 82 D CB -0.719 39.995 40.800 -0.143 0.000 0.946 82 D HN 0.265 nan 8.370 nan 0.000 0.448 83 M N 0.727 120.132 119.600 -0.324 0.000 2.086 83 M HA -0.107 4.373 4.480 -0.000 0.000 0.261 83 M C 2.582 178.755 176.300 -0.212 0.000 1.067 83 M CA 1.241 56.254 55.300 -0.479 0.000 1.116 83 M CB -0.404 31.534 32.600 -1.104 0.000 1.348 83 M HN -0.023 nan 8.290 nan 0.000 0.407 84 A N 1.714 124.429 122.820 -0.175 0.000 1.870 84 A HA -0.245 4.075 4.320 -0.000 0.000 0.219 84 A C 2.090 179.718 177.584 0.073 0.000 1.224 84 A CA 2.378 54.411 52.037 -0.008 0.000 0.650 84 A CB -1.309 17.667 19.000 -0.041 0.000 0.836 84 A HN 0.500 nan 8.150 nan 0.000 0.454 85 I N -0.866 119.698 120.570 -0.010 0.000 2.091 85 I HA -0.425 3.745 4.170 -0.000 0.000 0.240 85 I C 2.597 178.711 176.117 -0.005 0.000 1.046 85 I CA 2.292 63.571 61.300 -0.036 0.000 1.306 85 I CB -0.608 37.322 38.000 -0.117 0.000 1.018 85 I HN 0.366 nan 8.210 nan 0.000 0.404 86 M N 0.335 119.943 119.600 0.013 0.000 2.596 86 M HA -0.258 4.222 4.480 -0.000 0.000 0.254 86 M C 1.936 178.252 176.300 0.026 0.000 1.088 86 M CA 1.656 56.983 55.300 0.044 0.000 1.027 86 M CB -0.568 32.115 32.600 0.139 0.000 1.368 86 M HN 0.458 nan 8.290 nan 0.000 0.476 87 A N -0.830 122.014 122.820 0.041 0.000 2.220 87 A HA 0.153 4.473 4.320 -0.000 0.000 0.211 87 A C 1.952 179.364 177.584 -0.287 0.000 1.176 87 A CA 0.038 51.976 52.037 -0.164 0.000 0.834 87 A CB -0.239 18.625 19.000 -0.227 0.000 0.868 87 A HN 0.223 nan 8.150 nan 0.000 0.488 88 V N 1.859 121.809 119.914 0.059 0.000 2.262 88 V HA -0.505 3.615 4.120 -0.000 0.000 0.254 88 V C 2.349 178.522 176.094 0.133 0.000 1.050 88 V CA 2.576 64.996 62.300 0.200 0.000 1.080 88 V CB -1.310 30.474 31.823 -0.065 0.000 0.711 88 V HN 0.694 nan 8.190 nan 0.000 0.479 89 N N 0.097 118.842 118.700 0.075 0.000 2.100 89 N HA -0.289 4.451 4.740 -0.000 0.000 0.199 89 N C 1.725 177.236 175.510 0.002 0.000 1.017 89 N CA 2.829 55.925 53.050 0.076 0.000 0.890 89 N CB -1.162 37.350 38.487 0.041 0.000 1.080 89 N HN 0.670 nan 8.380 nan 0.000 0.525 90 T N 1.448 115.912 114.554 -0.150 0.000 2.684 90 T HA -0.203 4.147 4.350 -0.000 0.000 0.267 90 T C 1.854 176.455 174.700 -0.164 0.000 1.032 90 T CA 1.680 63.639 62.100 -0.234 0.000 1.155 90 T CB -0.588 68.004 68.868 -0.459 0.000 0.857 90 T HN 0.251 nan 8.240 nan 0.000 0.457 91 F N 0.840 120.844 119.950 0.090 0.000 2.053 91 F HA -0.083 4.444 4.527 -0.000 0.000 0.292 91 F C 2.669 178.541 175.800 0.120 0.000 1.125 91 F CA 0.551 58.626 58.000 0.125 0.000 1.193 91 F CB -1.104 37.942 39.000 0.077 0.000 0.996 91 F HN -0.081 nan 8.300 nan 0.000 0.470 92 V N 0.721 120.825 119.914 0.316 0.000 2.222 92 V HA -0.416 3.704 4.120 -0.000 0.000 0.252 92 V C 2.073 178.259 176.094 0.154 0.000 1.060 92 V CA 2.329 64.756 62.300 0.211 0.000 1.027 92 V CB -1.041 30.893 31.823 0.185 0.000 0.644 92 V HN 0.323 nan 8.190 nan 0.000 0.448 93 K N -0.387 120.086 120.400 0.121 0.000 2.362 93 K HA -0.216 4.104 4.320 -0.000 0.000 0.202 93 K C 1.859 178.511 176.600 0.087 0.000 1.045 93 K CA 1.445 57.781 56.287 0.082 0.000 0.936 93 K CB -0.279 32.253 32.500 0.054 0.000 0.747 93 K HN 0.532 nan 8.250 nan 0.000 0.467 94 D N 0.132 120.610 120.400 0.129 0.000 2.271 94 D HA -0.031 4.609 4.640 -0.000 0.000 0.206 94 D C 1.747 178.121 176.300 0.124 0.000 0.967 94 D CA 0.496 54.575 54.000 0.132 0.000 0.867 94 D CB 0.107 41.036 40.800 0.214 0.000 0.960 94 D HN 0.186 nan 8.370 nan 0.000 0.509 95 C N 1.102 120.489 119.300 0.145 0.000 2.401 95 C HA -0.142 4.318 4.460 -0.000 0.000 0.276 95 C C 2.425 177.462 174.990 0.079 0.000 1.233 95 C CA 0.627 59.716 59.018 0.118 0.000 1.753 95 C CB -1.020 26.790 27.740 0.116 0.000 2.029 95 C HN 0.414 nan 8.230 nan 0.000 0.478 96 E N 0.532 120.773 120.200 0.068 0.000 2.274 96 E HA -0.091 4.259 4.350 -0.000 0.000 0.194 96 E C 0.749 177.370 176.600 0.035 0.000 0.996 96 E CA 0.147 56.574 56.400 0.046 0.000 0.840 96 E CB -0.200 29.524 29.700 0.040 0.000 0.772 96 E HN 0.595 nan 8.360 nan 0.000 0.491 97 D N 0.690 121.112 120.400 0.037 0.000 2.667 97 D HA -0.099 4.541 4.640 -0.000 0.000 0.226 97 D C -1.748 174.560 176.300 0.013 0.000 1.137 97 D CA -0.700 53.312 54.000 0.020 0.000 0.855 97 D CB 0.827 41.635 40.800 0.014 0.000 1.194 97 D HN -0.108 nan 8.370 nan 0.000 0.492 98 P HA -0.012 nan 4.420 nan 0.000 0.234 98 P C -0.178 177.118 177.300 -0.007 0.000 1.167 98 P CA 0.687 63.787 63.100 0.000 0.000 0.763 98 P CB 0.141 31.840 31.700 -0.003 0.000 0.835 99 N N -0.047 118.645 118.700 -0.013 0.000 2.936 99 N HA 0.119 4.859 4.740 -0.000 0.000 0.243 99 N C -1.443 174.053 175.510 -0.025 0.000 1.149 99 N CA -2.294 50.741 53.050 -0.026 0.000 0.914 99 N CB 0.896 39.357 38.487 -0.042 0.000 1.179 99 N HN -0.083 nan 8.380 nan 0.000 0.502 100 P HA -0.316 nan 4.420 nan 0.000 0.226 100 P C 1.400 178.692 177.300 -0.013 0.000 1.154 100 P CA 1.443 64.549 63.100 0.011 0.000 0.918 100 P CB 0.258 31.971 31.700 0.022 0.000 0.790 101 L N -1.171 120.009 121.223 -0.071 0.000 1.997 101 L HA -0.253 4.087 4.340 -0.000 0.000 0.227 101 L C 2.921 179.709 176.870 -0.137 0.000 1.087 101 L CA 1.826 56.566 54.840 -0.165 0.000 0.797 101 L CB -1.320 40.635 42.059 -0.172 0.000 0.902 101 L HN -0.067 nan 8.230 nan 0.000 0.441 102 I N -0.142 120.361 120.570 -0.111 0.000 2.053 102 I HA -0.384 3.786 4.170 -0.000 0.000 0.227 102 I C 2.843 178.942 176.117 -0.031 0.000 1.017 102 I CA 2.038 63.266 61.300 -0.121 0.000 1.315 102 I CB -0.625 37.317 38.000 -0.096 0.000 1.036 102 I HN 0.391 nan 8.210 nan 0.000 0.386 103 R N 1.802 122.316 120.500 0.023 0.000 2.228 103 R HA -0.251 4.089 4.340 -0.000 0.000 0.259 103 R C 2.053 178.428 176.300 0.125 0.000 1.183 103 R CA 1.782 57.934 56.100 0.088 0.000 1.002 103 R CB -0.958 29.387 30.300 0.074 0.000 0.879 103 R HN 0.463 nan 8.270 nan 0.000 0.467 104 A N 2.045 124.941 122.820 0.127 0.000 1.855 104 A HA -0.030 4.290 4.320 -0.000 0.000 0.215 104 A C 2.394 180.131 177.584 0.255 0.000 1.191 104 A CA 1.273 53.453 52.037 0.237 0.000 0.613 104 A CB -0.532 18.723 19.000 0.424 0.000 0.829 104 A HN 0.287 nan 8.150 nan 0.000 0.442 105 L N -0.510 120.827 121.223 0.190 0.000 2.051 105 L HA -0.294 4.046 4.340 -0.000 0.000 0.214 105 L C 3.065 180.140 176.870 0.342 0.000 1.076 105 L CA 1.278 56.259 54.840 0.235 0.000 0.758 105 L CB -0.670 41.434 42.059 0.074 0.000 0.890 105 L HN 0.469 nan 8.230 nan 0.000 0.433 106 A N -0.467 122.568 122.820 0.358 0.000 2.032 106 A HA -0.137 4.183 4.320 -0.000 0.000 0.221 106 A C 2.217 179.890 177.584 0.149 0.000 1.165 106 A CA 1.892 54.164 52.037 0.391 0.000 0.645 106 A CB -0.660 18.561 19.000 0.368 0.000 0.807 106 A HN 0.248 nan 8.150 nan 0.000 0.453 107 V N 1.189 121.188 119.914 0.141 0.000 2.261 107 V HA -0.270 3.850 4.120 -0.000 0.000 0.235 107 V C 2.586 178.698 176.094 0.031 0.000 1.044 107 V CA 1.893 64.239 62.300 0.077 0.000 1.007 107 V CB -1.152 30.724 31.823 0.088 0.000 0.647 107 V HN 0.807 nan 8.190 nan 0.000 0.462 108 R N 0.728 121.268 120.500 0.067 0.000 2.165 108 R HA -0.273 4.067 4.340 -0.000 0.000 0.254 108 R C 2.031 178.322 176.300 -0.014 0.000 1.153 108 R CA 2.457 58.580 56.100 0.038 0.000 0.971 108 R CB -1.813 28.548 30.300 0.102 0.000 0.878 108 R HN 0.502 nan 8.270 nan 0.000 0.449 109 T N 1.640 116.176 114.554 -0.028 0.000 2.595 109 T HA -0.113 4.237 4.350 -0.000 0.000 0.264 109 T C 2.023 176.533 174.700 -0.318 0.000 1.058 109 T CA 1.807 63.792 62.100 -0.191 0.000 1.166 109 T CB -0.188 68.493 68.868 -0.311 0.000 0.863 109 T HN 0.173 nan 8.240 nan 0.000 0.415 110 M N 0.983 120.355 119.600 -0.380 0.000 2.124 110 M HA -0.161 4.319 4.480 -0.000 0.000 0.253 110 M C 2.732 178.930 176.300 -0.170 0.000 1.077 110 M CA 2.060 57.171 55.300 -0.315 0.000 1.085 110 M CB -1.760 30.750 32.600 -0.149 0.000 1.320 110 M HN 0.474 nan 8.290 nan 0.000 0.404 111 G N -1.221 107.516 108.800 -0.104 0.000 2.470 111 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.220 111 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.220 111 G C 1.110 175.971 174.900 -0.066 0.000 1.121 111 G CA 0.637 45.700 45.100 -0.063 0.000 0.766 111 G HN 0.538 nan 8.290 nan 0.000 0.553 112 C N 1.080 120.329 119.300 -0.084 0.000 2.269 112 C HA 0.521 4.981 4.460 -0.000 0.000 0.378 112 C C 0.242 175.188 174.990 -0.072 0.000 1.319 112 C CA -1.091 57.887 59.018 -0.066 0.000 1.721 112 C CB -2.219 25.489 27.740 -0.054 0.000 1.998 112 C HN 0.183 nan 8.230 nan 0.000 0.582 113 I N -0.236 120.288 120.570 -0.077 0.000 2.822 113 I HA 0.421 4.591 4.170 -0.000 0.000 0.312 113 I C 1.060 177.145 176.117 -0.053 0.000 1.011 113 I CA -0.144 61.114 61.300 -0.070 0.000 1.105 113 I CB 0.780 38.730 38.000 -0.083 0.000 1.291 113 I HN -0.009 nan 8.210 nan 0.000 0.474 114 R N 1.530 122.001 120.500 -0.047 0.000 2.572 114 R HA 0.431 4.771 4.340 -0.000 0.000 0.370 114 R C -1.198 175.081 176.300 -0.035 0.000 1.005 114 R CA 0.074 56.151 56.100 -0.040 0.000 1.146 114 R CB 0.633 30.910 30.300 -0.037 0.000 1.390 114 R HN 0.445 nan 8.270 nan 0.000 0.553 115 V N 0.855 120.747 119.914 -0.036 0.000 2.716 115 V HA 0.115 4.235 4.120 -0.000 0.000 0.304 115 V C 0.857 176.941 176.094 -0.016 0.000 1.053 115 V CA -0.543 61.740 62.300 -0.029 0.000 0.984 115 V CB 1.815 33.617 31.823 -0.036 0.000 1.021 115 V HN 0.136 nan 8.190 nan 0.000 0.467 116 D N 1.561 121.956 120.400 -0.007 0.000 2.144 116 D HA -0.128 4.512 4.640 -0.000 0.000 0.199 116 D C 1.875 178.192 176.300 0.029 0.000 0.984 116 D CA 1.320 55.323 54.000 0.005 0.000 0.834 116 D CB 0.161 40.964 40.800 0.005 0.000 0.955 116 D HN 0.564 nan 8.370 nan 0.000 0.465 117 K N 0.336 120.756 120.400 0.035 0.000 2.286 117 K HA -0.164 4.156 4.320 -0.000 0.000 0.203 117 K C 1.988 178.665 176.600 0.128 0.000 1.045 117 K CA 0.265 56.603 56.287 0.084 0.000 0.935 117 K CB -0.021 32.508 32.500 0.048 0.000 0.737 117 K HN 0.097 nan 8.250 nan 0.000 0.460 118 I N 1.859 122.463 120.570 0.056 0.000 2.226 118 I HA -0.310 3.860 4.170 -0.000 0.000 0.245 118 I C 2.195 178.381 176.117 0.115 0.000 1.100 118 I CA 1.928 63.266 61.300 0.062 0.000 1.374 118 I CB -0.898 37.104 38.000 0.004 0.000 1.057 118 I HN 0.344 nan 8.210 nan 0.000 0.413 119 T N -1.198 113.400 114.554 0.074 0.000 2.564 119 T HA -0.358 3.992 4.350 -0.000 0.000 0.264 119 T C 1.792 176.546 174.700 0.090 0.000 1.100 119 T CA 2.020 64.153 62.100 0.054 0.000 1.171 119 T CB -1.214 67.665 68.868 0.019 0.000 0.863 119 T HN 0.562 nan 8.240 nan 0.000 0.430 120 E N 0.873 121.139 120.200 0.109 0.000 2.072 120 E HA -0.227 4.123 4.350 -0.000 0.000 0.218 120 E C 2.147 178.787 176.600 0.067 0.000 1.051 120 E CA 2.271 58.710 56.400 0.065 0.000 0.880 120 E CB -0.516 29.213 29.700 0.049 0.000 0.783 120 E HN 0.731 nan 8.360 nan 0.000 0.473 121 Y N 0.186 120.509 120.300 0.038 0.000 2.333 121 Y HA -0.130 4.420 4.550 -0.000 0.000 0.290 121 Y C 2.234 178.172 175.900 0.064 0.000 1.144 121 Y CA 1.278 59.410 58.100 0.054 0.000 1.228 121 Y CB -0.318 38.181 38.460 0.066 0.000 0.985 121 Y HN 0.205 nan 8.280 nan 0.000 0.542 122 L N -2.666 118.679 121.223 0.204 0.000 2.388 122 L HA 0.091 4.431 4.340 -0.000 0.000 0.209 122 L C 2.292 179.241 176.870 0.132 0.000 1.061 122 L CA 0.665 55.594 54.840 0.149 0.000 0.834 122 L CB -1.045 41.081 42.059 0.111 0.000 1.029 122 L HN 0.198 nan 8.230 nan 0.000 0.473 123 C N 1.159 120.538 119.300 0.132 0.000 2.250 123 C HA -0.239 4.221 4.460 -0.000 0.000 0.264 123 C C 2.529 177.646 174.990 0.211 0.000 1.111 123 C CA 1.473 60.606 59.018 0.191 0.000 1.802 123 C CB -1.718 26.118 27.740 0.161 0.000 1.902 123 C HN 0.675 nan 8.230 nan 0.000 0.411 124 E N 2.220 122.511 120.200 0.152 0.000 2.068 124 E HA -0.206 4.144 4.350 -0.000 0.000 0.207 124 E C 0.347 176.991 176.600 0.073 0.000 1.032 124 E CA 2.312 58.772 56.400 0.099 0.000 0.839 124 E CB -2.206 27.534 29.700 0.066 0.000 0.758 124 E HN 0.517 nan 8.360 nan 0.000 0.457 125 P HA -0.160 nan 4.420 nan 0.000 0.217 125 P C 1.857 179.197 177.300 0.067 0.000 1.148 125 P CA 0.937 64.082 63.100 0.074 0.000 0.834 125 P CB -0.169 31.590 31.700 0.097 0.000 0.783 126 L N -0.710 120.567 121.223 0.089 0.000 1.948 126 L HA -0.202 4.138 4.340 -0.000 0.000 0.212 126 L C 2.509 179.389 176.870 0.017 0.000 1.074 126 L CA 1.784 56.674 54.840 0.083 0.000 0.753 126 L CB -0.588 41.567 42.059 0.159 0.000 0.888 126 L HN -0.273 nan 8.230 nan 0.000 0.432 127 R N -0.138 120.334 120.500 -0.047 0.000 2.191 127 R HA -0.302 4.038 4.340 -0.000 0.000 0.248 127 R C 2.263 178.506 176.300 -0.095 0.000 1.127 127 R CA 2.766 58.751 56.100 -0.191 0.000 0.943 127 R CB -0.421 29.725 30.300 -0.256 0.000 0.891 127 R HN 0.444 nan 8.270 nan 0.000 0.439 128 K N -0.254 120.118 120.400 -0.047 0.000 1.972 128 K HA -0.255 4.065 4.320 -0.000 0.000 0.227 128 K C 2.172 178.767 176.600 -0.007 0.000 1.046 128 K CA 2.016 58.290 56.287 -0.020 0.000 1.013 128 K CB -0.737 31.766 32.500 0.004 0.000 0.741 128 K HN 0.308 nan 8.250 nan 0.000 0.446 129 C N 1.277 120.587 119.300 0.017 0.000 2.383 129 C HA -0.214 4.246 4.460 -0.000 0.000 0.271 129 C C 2.655 177.655 174.990 0.016 0.000 1.138 129 C CA 0.835 59.871 59.018 0.029 0.000 1.836 129 C CB -1.327 26.442 27.740 0.049 0.000 2.155 129 C HN 0.374 nan 8.230 nan 0.000 0.460 130 L N 0.282 121.504 121.223 -0.002 0.000 1.910 130 L HA -0.190 4.150 4.340 -0.000 0.000 0.221 130 L C 2.522 179.382 176.870 -0.016 0.000 1.084 130 L CA 1.863 56.695 54.840 -0.014 0.000 0.779 130 L CB -0.832 41.204 42.059 -0.038 0.000 0.888 130 L HN 0.303 nan 8.230 nan 0.000 0.432 131 K N -0.075 120.305 120.400 -0.033 0.000 2.374 131 K HA -0.188 4.132 4.320 -0.000 0.000 0.202 131 K C 0.825 177.416 176.600 -0.015 0.000 1.044 131 K CA 0.836 57.105 56.287 -0.030 0.000 0.933 131 K CB -0.479 31.994 32.500 -0.045 0.000 0.745 131 K HN 0.350 nan 8.250 nan 0.000 0.474 132 D N 1.204 121.600 120.400 -0.006 0.000 1.786 132 D HA -0.110 4.530 4.640 -0.000 0.000 0.248 132 D C 0.846 177.149 176.300 0.006 0.000 1.113 132 D CA 0.874 54.876 54.000 0.003 0.000 0.933 132 D CB 0.228 41.036 40.800 0.014 0.000 1.398 132 D HN 0.109 nan 8.370 nan 0.000 0.491 133 E N -0.709 119.499 120.200 0.013 0.000 2.630 133 E HA 0.234 4.584 4.350 -0.000 0.000 0.218 133 E C -0.740 175.872 176.600 0.020 0.000 0.977 133 E CA -0.148 56.260 56.400 0.013 0.000 1.038 133 E CB 0.884 30.591 29.700 0.010 0.000 1.051 133 E HN 0.182 nan 8.360 nan 0.000 0.487 134 D N -0.132 120.286 120.400 0.031 0.000 2.575 134 D HA 0.180 4.820 4.640 -0.000 0.000 0.236 134 D C -1.978 174.355 176.300 0.055 0.000 1.075 134 D CA -1.936 52.090 54.000 0.043 0.000 0.860 134 D CB 2.191 43.025 40.800 0.056 0.000 1.475 134 D HN -0.291 nan 8.370 nan 0.000 0.474 135 P HA -0.234 nan 4.420 nan 0.000 0.203 135 P C 1.376 178.723 177.300 0.079 0.000 1.087 135 P CA 1.284 64.419 63.100 0.058 0.000 0.952 135 P CB -0.034 31.705 31.700 0.064 0.000 0.758 136 Y N 0.280 120.577 120.300 -0.006 0.000 2.029 136 Y HA -0.333 4.217 4.550 -0.000 0.000 0.269 136 Y C 2.176 178.078 175.900 0.003 0.000 1.201 136 Y CA 1.788 59.886 58.100 -0.004 0.000 1.115 136 Y CB -1.256 37.200 38.460 -0.007 0.000 0.945 136 Y HN -0.284 nan 8.280 nan 0.000 0.497 137 V N 1.532 121.562 119.914 0.193 0.000 2.218 137 V HA -0.475 3.645 4.120 -0.000 0.000 0.251 137 V C 2.417 178.520 176.094 0.014 0.000 1.057 137 V CA 2.809 65.175 62.300 0.111 0.000 1.022 137 V CB -1.166 30.710 31.823 0.088 0.000 0.645 137 V HN 0.488 nan 8.190 nan 0.000 0.451 138 R N 0.881 121.384 120.500 0.005 0.000 2.113 138 R HA -0.237 4.103 4.340 -0.000 0.000 0.231 138 R C 2.244 178.511 176.300 -0.055 0.000 1.129 138 R CA 1.908 57.999 56.100 -0.016 0.000 0.915 138 R CB -0.911 29.384 30.300 -0.008 0.000 0.837 138 R HN 0.428 nan 8.270 nan 0.000 0.430 139 K N 0.481 120.831 120.400 -0.083 0.000 1.988 139 K HA -0.248 4.072 4.320 -0.000 0.000 0.231 139 K C 2.322 178.822 176.600 -0.167 0.000 1.044 139 K CA 2.859 59.068 56.287 -0.130 0.000 1.013 139 K CB -0.854 31.525 32.500 -0.202 0.000 0.736 139 K HN 0.312 nan 8.250 nan 0.000 0.446 140 T N 0.688 115.062 114.554 -0.301 0.000 2.567 140 T HA -0.335 4.015 4.350 -0.000 0.000 0.261 140 T C 1.895 176.526 174.700 -0.114 0.000 1.123 140 T CA 2.262 64.196 62.100 -0.276 0.000 1.166 140 T CB -0.677 67.990 68.868 -0.336 0.000 0.860 140 T HN 0.531 nan 8.240 nan 0.000 0.436 141 A N 1.409 124.193 122.820 -0.059 0.000 1.902 141 A HA 0.148 4.468 4.320 -0.000 0.000 0.217 141 A C 2.707 180.286 177.584 -0.008 0.000 1.181 141 A CA 2.199 54.229 52.037 -0.011 0.000 0.623 141 A CB -1.313 17.696 19.000 0.015 0.000 0.818 141 A HN 0.611 nan 8.150 nan 0.000 0.443 142 A N -0.213 122.593 122.820 -0.023 0.000 1.894 142 A HA -0.203 4.117 4.320 -0.000 0.000 0.220 142 A C 2.237 179.810 177.584 -0.018 0.000 1.237 142 A CA 2.567 54.595 52.037 -0.014 0.000 0.660 142 A CB -1.434 17.548 19.000 -0.030 0.000 0.835 142 A HN 0.568 nan 8.150 nan 0.000 0.461 143 V N -0.302 119.584 119.914 -0.047 0.000 2.217 143 V HA -0.453 3.667 4.120 -0.000 0.000 0.248 143 V C 2.648 178.728 176.094 -0.023 0.000 1.050 143 V CA 2.278 64.547 62.300 -0.051 0.000 1.007 143 V CB -1.727 30.052 31.823 -0.074 0.000 0.639 143 V HN 0.785 nan 8.190 nan 0.000 0.452 144 C N -0.479 118.810 119.300 -0.018 0.000 2.294 144 C HA -0.290 4.170 4.460 -0.000 0.000 0.265 144 C C 2.547 177.550 174.990 0.022 0.000 1.115 144 C CA 1.345 60.364 59.018 0.002 0.000 1.809 144 C CB -1.650 26.100 27.740 0.016 0.000 2.010 144 C HN 0.492 nan 8.230 nan 0.000 0.425 145 V N 1.914 121.855 119.914 0.045 0.000 2.277 145 V HA -0.453 3.667 4.120 -0.000 0.000 0.256 145 V C 2.702 178.834 176.094 0.064 0.000 1.069 145 V CA 3.266 65.607 62.300 0.068 0.000 1.096 145 V CB -1.817 30.048 31.823 0.070 0.000 0.741 145 V HN 0.773 nan 8.190 nan 0.000 0.470 146 A N -0.167 122.687 122.820 0.057 0.000 1.869 146 A HA -0.358 3.962 4.320 -0.000 0.000 0.218 146 A C 2.158 179.767 177.584 0.042 0.000 1.203 146 A CA 2.884 54.969 52.037 0.080 0.000 0.638 146 A CB -0.717 18.299 19.000 0.025 0.000 0.831 146 A HN 0.688 nan 8.150 nan 0.000 0.450 147 K N -0.866 119.537 120.400 0.004 0.000 2.077 147 K HA -0.243 4.077 4.320 -0.000 0.000 0.213 147 K C 1.793 178.388 176.600 -0.009 0.000 1.051 147 K CA 1.812 58.089 56.287 -0.017 0.000 0.929 147 K CB -0.636 31.852 32.500 -0.019 0.000 0.715 147 K HN 0.380 nan 8.250 nan 0.000 0.451 148 L N 0.210 121.441 121.223 0.013 0.000 2.017 148 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 148 L C 2.519 179.411 176.870 0.037 0.000 1.073 148 L CA 1.812 56.656 54.840 0.006 0.000 0.745 148 L CB -1.081 40.972 42.059 -0.010 0.000 0.894 148 L HN 0.339 nan 8.230 nan 0.000 0.432 149 H N -0.205 118.829 119.070 -0.060 0.000 2.254 149 H HA -0.279 4.277 4.556 -0.000 0.000 0.294 149 H C 1.987 177.286 175.328 -0.049 0.000 1.071 149 H CA 1.812 57.825 56.048 -0.060 0.000 1.228 149 H CB -0.128 29.606 29.762 -0.046 0.000 1.358 149 H HN 0.378 nan 8.280 nan 0.000 0.495 150 D N 0.891 121.165 120.400 -0.210 0.000 2.280 150 D HA -0.144 4.496 4.640 -0.000 0.000 0.206 150 D C 0.719 176.946 176.300 -0.122 0.000 0.988 150 D CA 0.487 54.329 54.000 -0.263 0.000 0.886 150 D CB -0.305 40.377 40.800 -0.196 0.000 0.914 150 D HN 0.358 nan 8.370 nan 0.000 0.473 151 I N 0.991 121.524 120.570 -0.062 0.000 3.003 151 I HA -0.186 3.984 4.170 -0.000 0.000 0.294 151 I C 1.641 177.735 176.117 -0.038 0.000 1.237 151 I CA 0.148 61.423 61.300 -0.041 0.000 1.417 151 I CB 0.108 38.093 38.000 -0.025 0.000 1.340 151 I HN -0.049 nan 8.210 nan 0.000 0.594 152 N N 2.706 121.387 118.700 -0.033 0.000 2.659 152 N HA -0.014 4.726 4.740 -0.000 0.000 0.194 152 N C -0.118 175.381 175.510 -0.017 0.000 1.140 152 N CA 0.334 53.368 53.050 -0.026 0.000 0.936 152 N CB 0.021 38.495 38.487 -0.022 0.000 0.970 152 N HN 0.671 nan 8.380 nan 0.000 0.449 153 A N -0.219 122.593 122.820 -0.013 0.000 2.597 153 A HA 0.528 4.848 4.320 -0.000 0.000 0.292 153 A C -1.407 176.173 177.584 -0.007 0.000 1.057 153 A CA -0.841 51.191 52.037 -0.008 0.000 0.674 153 A CB 1.327 20.319 19.000 -0.014 0.000 1.278 153 A HN -0.037 nan 8.150 nan 0.000 0.416 154 Q N -0.266 119.527 119.800 -0.011 0.000 2.712 154 Q HA 0.909 5.249 4.340 -0.000 0.000 0.267 154 Q C -0.346 175.612 176.000 -0.070 0.000 1.062 154 Q CA -0.353 55.425 55.803 -0.042 0.000 0.888 154 Q CB 1.378 30.095 28.738 -0.035 0.000 1.374 154 Q HN 0.782 nan 8.270 nan 0.000 0.498 155 M N -1.059 118.473 119.600 -0.113 0.000 2.744 155 M HA 0.361 4.841 4.480 -0.000 0.000 0.283 155 M C 0.115 176.356 176.300 -0.098 0.000 1.275 155 M CA -0.674 54.564 55.300 -0.103 0.000 0.796 155 M CB 1.858 34.380 32.600 -0.129 0.000 1.739 155 M HN 0.311 nan 8.290 nan 0.000 0.454 156 V N -0.040 119.836 119.914 -0.064 0.000 3.306 156 V HA -0.050 4.070 4.120 -0.000 0.000 0.264 156 V C 1.446 177.528 176.094 -0.020 0.000 1.149 156 V CA 1.422 63.700 62.300 -0.037 0.000 1.143 156 V CB -0.820 30.992 31.823 -0.017 0.000 0.767 156 V HN 0.770 nan 8.190 nan 0.000 0.476 157 E N 0.537 120.712 120.200 -0.043 0.000 2.075 157 E HA -0.166 4.184 4.350 -0.000 0.000 0.190 157 E C 1.895 178.424 176.600 -0.119 0.000 0.969 157 E CA 1.094 57.520 56.400 0.043 0.000 0.815 157 E CB -0.143 29.593 29.700 0.059 0.000 0.776 157 E HN 0.636 nan 8.360 nan 0.000 0.457 158 D N 1.546 121.666 120.400 -0.467 0.000 2.126 158 D HA -0.246 4.394 4.640 -0.000 0.000 0.190 158 D C 1.597 177.756 176.300 -0.235 0.000 1.001 158 D CA 1.579 55.215 54.000 -0.605 0.000 0.841 158 D CB -0.013 40.563 40.800 -0.373 0.000 0.949 158 D HN 0.065 nan 8.370 nan 0.000 0.446 159 Q N -1.055 118.670 119.800 -0.125 0.000 2.515 159 Q HA 0.152 4.492 4.340 -0.000 0.000 0.214 159 Q C 1.484 177.495 176.000 0.019 0.000 0.971 159 Q CA 0.684 56.450 55.803 -0.062 0.000 0.952 159 Q CB 0.389 29.088 28.738 -0.064 0.000 0.999 159 Q HN 0.431 nan 8.270 nan 0.000 0.524 160 G N -1.394 107.476 108.800 0.117 0.000 2.944 160 G HA2 0.010 3.970 3.960 -0.000 0.000 0.223 160 G HA3 0.010 3.970 3.960 -0.000 0.000 0.223 160 G C 0.641 175.735 174.900 0.323 0.000 1.071 160 G CA -0.193 45.024 45.100 0.195 0.000 0.806 160 G HN 0.165 nan 8.290 nan 0.000 0.538 161 F N 1.360 121.291 119.950 -0.032 0.000 2.473 161 F HA 0.317 4.844 4.527 -0.000 0.000 0.294 161 F C 2.427 178.207 175.800 -0.033 0.000 1.103 161 F CA -0.272 57.712 58.000 -0.027 0.000 1.442 161 F CB -0.384 38.602 39.000 -0.024 0.000 1.097 161 F HN 0.014 nan 8.300 nan 0.000 0.547 162 L N -0.432 120.885 121.223 0.156 0.000 2.042 162 L HA -0.247 4.093 4.340 -0.000 0.000 0.210 162 L C 2.136 179.028 176.870 0.037 0.000 1.076 162 L CA 1.549 56.420 54.840 0.052 0.000 0.749 162 L CB -0.788 41.265 42.059 -0.009 0.000 0.893 162 L HN 0.113 nan 8.230 nan 0.000 0.432 163 D N 0.048 120.471 120.400 0.038 0.000 2.092 163 D HA -0.157 4.483 4.640 -0.000 0.000 0.193 163 D C 2.067 178.372 176.300 0.008 0.000 0.994 163 D CA 2.236 56.246 54.000 0.017 0.000 0.828 163 D CB -0.141 40.668 40.800 0.015 0.000 0.963 163 D HN 0.405 nan 8.370 nan 0.000 0.450 164 T N 2.250 116.805 114.554 0.000 0.000 2.592 164 T HA -0.227 4.123 4.350 -0.000 0.000 0.267 164 T C 2.270 176.964 174.700 -0.009 0.000 1.060 164 T CA 0.982 63.062 62.100 -0.033 0.000 1.167 164 T CB -0.829 67.986 68.868 -0.089 0.000 0.863 164 T HN 0.088 nan 8.240 nan 0.000 0.431 165 L N 0.984 122.215 121.223 0.013 0.000 1.981 165 L HA -0.297 4.043 4.340 -0.000 0.000 0.237 165 L C 2.647 179.525 176.870 0.013 0.000 1.095 165 L CA 2.139 56.989 54.840 0.017 0.000 0.820 165 L CB -0.665 41.410 42.059 0.026 0.000 0.914 165 L HN 0.213 nan 8.230 nan 0.000 0.442 166 K N 0.132 120.542 120.400 0.016 0.000 2.044 166 K HA -0.286 4.034 4.320 -0.000 0.000 0.224 166 K C 1.709 178.318 176.600 0.017 0.000 1.056 166 K CA 2.485 58.784 56.287 0.020 0.000 0.962 166 K CB -0.786 31.726 32.500 0.019 0.000 0.730 166 K HN 0.376 nan 8.250 nan 0.000 0.453 167 D N 0.195 120.601 120.400 0.009 0.000 2.137 167 D HA -0.211 4.429 4.640 -0.000 0.000 0.189 167 D C 2.049 178.352 176.300 0.004 0.000 0.998 167 D CA 2.067 56.070 54.000 0.005 0.000 0.839 167 D CB -0.425 40.373 40.800 -0.003 0.000 0.962 167 D HN 0.310 nan 8.370 nan 0.000 0.446 168 L N 0.653 121.875 121.223 -0.002 0.000 2.187 168 L HA -0.154 4.186 4.340 -0.000 0.000 0.213 168 L C 2.477 179.350 176.870 0.006 0.000 1.100 168 L CA 0.356 55.194 54.840 -0.003 0.000 0.765 168 L CB -0.399 41.653 42.059 -0.012 0.000 0.904 168 L HN 0.080 nan 8.230 nan 0.000 0.437 169 I N 0.069 120.647 120.570 0.013 0.000 2.040 169 I HA -0.351 3.819 4.170 -0.000 0.000 0.224 169 I C 2.786 178.917 176.117 0.024 0.000 1.038 169 I CA 1.819 63.132 61.300 0.022 0.000 1.330 169 I CB -0.575 37.443 38.000 0.030 0.000 1.076 169 I HN 0.345 nan 8.210 nan 0.000 0.388 170 S N 0.530 116.246 115.700 0.026 0.000 2.389 170 S HA -0.278 4.192 4.470 -0.000 0.000 0.231 170 S C 1.451 176.062 174.600 0.017 0.000 1.052 170 S CA 1.854 60.069 58.200 0.025 0.000 1.053 170 S CB -0.799 62.416 63.200 0.025 0.000 0.886 170 S HN 0.412 nan 8.310 nan 0.000 0.456 171 D N 2.414 122.822 120.400 0.013 0.000 2.049 171 D HA 0.023 4.663 4.640 -0.000 0.000 0.233 171 D C 1.108 177.413 176.300 0.008 0.000 0.994 171 D CA 1.459 55.464 54.000 0.009 0.000 0.925 171 D CB -1.112 39.691 40.800 0.004 0.000 1.146 171 D HN 0.630 nan 8.370 nan 0.000 0.472 172 S N 1.109 116.813 115.700 0.006 0.000 2.711 172 S HA -0.110 4.360 4.470 -0.000 0.000 0.320 172 S C 0.821 175.426 174.600 0.009 0.000 1.240 172 S CA 0.011 58.214 58.200 0.006 0.000 1.034 172 S CB 0.518 63.720 63.200 0.004 0.000 0.741 172 S HN 0.199 nan 8.310 nan 0.000 0.496 173 N N 2.914 121.620 118.700 0.009 0.000 2.413 173 N HA 0.208 4.948 4.740 -0.000 0.000 0.193 173 N C -1.771 173.746 175.510 0.012 0.000 1.043 173 N CA 0.031 53.087 53.050 0.010 0.000 0.910 173 N CB -1.661 36.830 38.487 0.008 0.000 1.111 173 N HN 0.421 nan 8.380 nan 0.000 0.452 174 P HA -0.139 nan 4.420 nan 0.000 0.274 174 P C 1.451 178.760 177.300 0.016 0.000 1.248 174 P CA 0.279 63.385 63.100 0.011 0.000 0.827 174 P CB 0.230 31.936 31.700 0.010 0.000 0.972 175 M N 0.268 119.877 119.600 0.016 0.000 2.217 175 M HA -0.299 4.181 4.480 -0.000 0.000 0.245 175 M C 1.075 177.397 176.300 0.037 0.000 1.101 175 M CA 2.290 57.606 55.300 0.027 0.000 1.050 175 M CB -1.082 31.524 32.600 0.010 0.000 1.357 175 M HN -0.017 nan 8.290 nan 0.000 0.394 176 V N 0.548 120.473 119.914 0.019 0.000 2.243 176 V HA -0.420 3.700 4.120 -0.000 0.000 0.258 176 V C 2.486 178.599 176.094 0.030 0.000 1.073 176 V CA 2.761 65.068 62.300 0.011 0.000 1.069 176 V CB -1.726 30.101 31.823 0.007 0.000 0.681 176 V HN 0.615 nan 8.190 nan 0.000 0.457 177 V N 0.605 120.542 119.914 0.037 0.000 2.252 177 V HA -0.396 3.724 4.120 -0.000 0.000 0.255 177 V C 2.708 178.853 176.094 0.085 0.000 1.071 177 V CA 2.717 65.047 62.300 0.050 0.000 1.050 177 V CB -1.822 30.030 31.823 0.048 0.000 0.654 177 V HN 0.669 nan 8.190 nan 0.000 0.448 178 A N 0.608 123.500 122.820 0.120 0.000 1.891 178 A HA -0.420 3.900 4.320 -0.000 0.000 0.221 178 A C 2.039 179.748 177.584 0.209 0.000 1.394 178 A CA 2.990 55.169 52.037 0.237 0.000 0.730 178 A CB -1.339 17.816 19.000 0.258 0.000 0.845 178 A HN 0.714 nan 8.150 nan 0.000 0.471 179 N N -1.029 117.745 118.700 0.122 0.000 2.027 179 N HA -0.269 4.471 4.740 -0.000 0.000 0.200 179 N C 1.971 177.469 175.510 -0.020 0.000 1.042 179 N CA 1.692 54.748 53.050 0.010 0.000 0.871 179 N CB -0.335 38.136 38.487 -0.026 0.000 1.063 179 N HN 0.387 nan 8.380 nan 0.000 0.438 180 R N 0.974 121.478 120.500 0.007 0.000 2.179 180 R HA -0.196 4.144 4.340 -0.000 0.000 0.238 180 R C 2.350 178.656 176.300 0.010 0.000 1.119 180 R CA 1.312 57.417 56.100 0.008 0.000 0.915 180 R CB -1.415 28.899 30.300 0.022 0.000 0.870 180 R HN 0.156 nan 8.270 nan 0.000 0.432 181 V N 1.073 121.014 119.914 0.046 0.000 2.250 181 V HA -0.392 3.728 4.120 -0.000 0.000 0.250 181 V C 2.557 178.659 176.094 0.014 0.000 1.039 181 V CA 2.577 64.918 62.300 0.068 0.000 1.042 181 V CB -1.395 30.518 31.823 0.151 0.000 0.673 181 V HN 0.592 nan 8.190 nan 0.000 0.477 182 A N -0.030 122.755 122.820 -0.059 0.000 1.870 182 A HA -0.317 4.003 4.320 -0.000 0.000 0.219 182 A C 2.447 179.945 177.584 -0.144 0.000 1.224 182 A CA 4.012 55.913 52.037 -0.227 0.000 0.650 182 A CB -1.456 17.082 19.000 -0.770 0.000 0.836 182 A HN 1.090 nan 8.150 nan 0.000 0.454 183 A N -0.781 121.957 122.820 -0.137 0.000 1.887 183 A HA -0.293 4.027 4.320 -0.000 0.000 0.225 183 A C 2.184 179.753 177.584 -0.024 0.000 1.464 183 A CA 2.591 54.586 52.037 -0.070 0.000 0.717 183 A CB -1.146 17.830 19.000 -0.040 0.000 0.848 183 A HN 1.026 nan 8.150 nan 0.000 0.477 184 L N -0.117 121.101 121.223 -0.010 0.000 1.970 184 L HA -0.159 4.181 4.340 -0.000 0.000 0.212 184 L C 2.667 179.545 176.870 0.014 0.000 1.071 184 L CA 2.732 57.577 54.840 0.007 0.000 0.751 184 L CB -1.074 40.995 42.059 0.016 0.000 0.889 184 L HN 0.462 nan 8.230 nan 0.000 0.432 185 S N -0.445 115.263 115.700 0.012 0.000 2.412 185 S HA -0.387 4.083 4.470 -0.000 0.000 0.246 185 S C 1.869 176.477 174.600 0.012 0.000 1.073 185 S CA 2.014 60.225 58.200 0.019 0.000 1.186 185 S CB -0.719 62.489 63.200 0.014 0.000 1.084 185 S HN 0.621 nan 8.310 nan 0.000 0.434 186 E N 0.703 120.897 120.200 -0.010 0.000 2.049 186 E HA -0.195 4.155 4.350 -0.000 0.000 0.198 186 E C 2.113 178.748 176.600 0.059 0.000 1.007 186 E CA 1.523 57.922 56.400 -0.001 0.000 0.809 186 E CB -0.301 29.380 29.700 -0.031 0.000 0.749 186 E HN 0.557 nan 8.360 nan 0.000 0.450 187 I N 1.363 121.994 120.570 0.103 0.000 2.151 187 I HA -0.351 3.819 4.170 -0.000 0.000 0.243 187 I C 2.629 178.837 176.117 0.151 0.000 1.080 187 I CA 1.179 62.614 61.300 0.225 0.000 1.339 187 I CB -0.607 37.451 38.000 0.096 0.000 1.039 187 I HN 0.184 nan 8.210 nan 0.000 0.409 188 A N 0.830 123.689 122.820 0.066 0.000 1.885 188 A HA -0.351 3.969 4.320 -0.000 0.000 0.215 188 A C 2.039 179.680 177.584 0.096 0.000 1.255 188 A CA 2.380 54.452 52.037 0.057 0.000 0.692 188 A CB -1.057 17.974 19.000 0.050 0.000 0.842 188 A HN 0.404 nan 8.150 nan 0.000 0.465 189 E N 0.162 120.409 120.200 0.080 0.000 2.507 189 E HA -0.196 4.154 4.350 -0.000 0.000 0.242 189 E C 1.201 177.862 176.600 0.102 0.000 1.169 189 E CA 1.584 58.027 56.400 0.071 0.000 0.972 189 E CB -0.718 28.998 29.700 0.026 0.000 0.806 189 E HN 0.442 nan 8.360 nan 0.000 0.449 190 S N 0.680 116.452 115.700 0.121 0.000 4.183 190 S HA -0.026 4.444 4.470 -0.000 0.000 0.195 190 S C 0.068 174.737 174.600 0.114 0.000 1.421 190 S CA -0.215 58.059 58.200 0.123 0.000 0.920 190 S CB -0.365 62.943 63.200 0.179 0.000 1.525 190 S HN 0.260 nan 8.310 nan 0.000 0.447 191 H N 3.635 122.716 119.070 0.017 0.000 3.629 191 H HA 0.078 4.634 4.556 -0.000 0.000 0.245 191 H C -1.621 173.703 175.328 -0.007 0.000 1.599 191 H CA -1.352 54.695 56.048 -0.002 0.000 1.557 191 H CB 0.215 29.971 29.762 -0.009 0.000 1.823 191 H HN 0.346 nan 8.280 nan 0.000 0.614 192 P HA -0.017 nan 4.420 nan 0.000 0.209 192 P C 0.685 177.698 177.300 -0.478 0.000 1.203 192 P CA 0.701 63.639 63.100 -0.269 0.000 0.916 192 P CB 0.716 32.321 31.700 -0.158 0.000 0.763 193 S N -2.214 113.218 115.700 -0.446 0.000 4.428 193 S HA -0.031 4.439 4.470 -0.000 0.000 0.199 193 S C 1.717 176.172 174.600 -0.242 0.000 1.156 193 S CA 0.456 58.451 58.200 -0.340 0.000 1.134 193 S CB -1.025 62.079 63.200 -0.160 0.000 1.531 193 S HN 0.179 nan 8.310 nan 0.000 0.551 194 S N 3.650 119.252 115.700 -0.164 0.000 2.434 194 S HA -0.238 4.232 4.470 -0.000 0.000 0.243 194 S C 1.242 175.796 174.600 -0.078 0.000 1.045 194 S CA 1.663 59.803 58.200 -0.100 0.000 1.019 194 S CB -0.786 62.360 63.200 -0.090 0.000 0.811 194 S HN 0.536 nan 8.310 nan 0.000 0.485 195 N N 1.041 119.684 118.700 -0.096 0.000 2.457 195 N HA 0.089 4.829 4.740 -0.000 0.000 0.180 195 N C 1.338 176.857 175.510 0.014 0.000 1.050 195 N CA 0.651 53.692 53.050 -0.014 0.000 0.906 195 N CB -0.311 38.214 38.487 0.063 0.000 0.968 195 N HN 0.395 nan 8.380 nan 0.000 0.445 196 L N 0.538 121.768 121.223 0.012 0.000 2.567 196 L HA 0.197 4.537 4.340 -0.000 0.000 0.225 196 L C 1.197 178.034 176.870 -0.055 0.000 1.119 196 L CA 0.410 55.267 54.840 0.029 0.000 0.871 196 L CB 0.012 42.165 42.059 0.155 0.000 1.036 196 L HN -0.048 nan 8.230 nan 0.000 0.459 197 L N -0.347 120.845 121.223 -0.052 0.000 2.645 197 L HA 0.200 4.540 4.340 -0.000 0.000 0.234 197 L C -0.155 176.689 176.870 -0.043 0.000 1.165 197 L CA 0.332 55.148 54.840 -0.041 0.000 0.944 197 L CB -0.726 41.319 42.059 -0.023 0.000 1.149 197 L HN 0.105 nan 8.230 nan 0.000 0.446 198 D N 0.683 121.017 120.400 -0.111 0.000 2.558 198 D HA 0.156 4.796 4.640 -0.000 0.000 0.221 198 D C 0.518 176.665 176.300 -0.255 0.000 1.143 198 D CA 0.274 54.209 54.000 -0.108 0.000 1.010 198 D CB 0.864 41.570 40.800 -0.157 0.000 1.068 198 D HN 0.099 nan 8.370 nan 0.000 0.511 199 L N 0.916 122.140 121.223 0.003 0.000 3.439 199 L HA 0.172 4.512 4.340 -0.000 0.000 0.313 199 L C -0.308 176.665 176.870 0.173 0.000 1.292 199 L CA -0.203 54.681 54.840 0.073 0.000 1.020 199 L CB 0.296 42.355 42.059 -0.000 0.000 1.424 199 L HN -0.141 nan 8.230 nan 0.000 0.612 200 K N 0.714 121.239 120.400 0.208 0.000 2.248 200 K HA 0.540 4.860 4.320 -0.000 0.000 0.281 200 K C 0.542 177.223 176.600 0.136 0.000 1.054 200 K CA 0.225 56.597 56.287 0.142 0.000 0.903 200 K CB 1.747 34.309 32.500 0.102 0.000 1.077 200 K HN 0.158 nan 8.250 nan 0.000 0.474 201 A N 2.882 125.759 122.820 0.096 0.000 2.503 201 A HA -0.009 4.311 4.320 -0.000 0.000 0.263 201 A C 1.181 178.785 177.584 0.035 0.000 1.360 201 A CA 0.399 52.472 52.037 0.061 0.000 0.969 201 A CB -0.065 18.969 19.000 0.057 0.000 1.000 201 A HN 0.715 nan 8.150 nan 0.000 0.530 202 Q N -1.166 118.658 119.800 0.041 0.000 2.546 202 Q HA -0.005 4.335 4.340 -0.000 0.000 0.226 202 Q C 1.961 177.979 176.000 0.029 0.000 0.769 202 Q CA 1.310 57.130 55.803 0.028 0.000 0.954 202 Q CB -0.033 28.723 28.738 0.030 0.000 1.319 202 Q HN 0.524 nan 8.270 nan 0.000 0.534 203 S N 0.184 115.915 115.700 0.050 0.000 2.442 203 S HA -0.082 4.388 4.470 -0.000 0.000 0.236 203 S C 1.765 176.387 174.600 0.038 0.000 1.007 203 S CA 1.061 59.295 58.200 0.056 0.000 0.965 203 S CB -0.393 62.862 63.200 0.091 0.000 0.773 203 S HN 0.420 nan 8.310 nan 0.000 0.504 204 I N 1.951 122.531 120.570 0.016 0.000 2.353 204 I HA -0.111 4.059 4.170 -0.000 0.000 0.248 204 I C 2.081 178.170 176.117 -0.047 0.000 1.119 204 I CA 0.876 62.148 61.300 -0.046 0.000 1.417 204 I CB -0.436 37.516 38.000 -0.079 0.000 1.078 204 I HN 0.282 nan 8.210 nan 0.000 0.421 205 N N 0.961 119.646 118.700 -0.025 0.000 2.270 205 N HA -0.126 4.614 4.740 -0.000 0.000 0.181 205 N C 1.731 177.232 175.510 -0.014 0.000 1.016 205 N CA 0.934 53.971 53.050 -0.023 0.000 0.870 205 N CB -0.131 38.349 38.487 -0.012 0.000 0.979 205 N HN 0.145 nan 8.380 nan 0.000 0.431 206 K N 0.979 121.377 120.400 -0.003 0.000 2.032 206 K HA 0.019 4.339 4.320 -0.000 0.000 0.209 206 K C 1.987 178.587 176.600 0.000 0.000 1.048 206 K CA 0.818 57.108 56.287 0.005 0.000 0.927 206 K CB -0.509 32.001 32.500 0.017 0.000 0.712 206 K HN 0.158 nan 8.250 nan 0.000 0.441 207 L N 0.132 121.351 121.223 -0.006 0.000 2.056 207 L HA -0.142 4.198 4.340 -0.000 0.000 0.207 207 L C 2.204 179.057 176.870 -0.029 0.000 1.078 207 L CA 0.511 55.343 54.840 -0.013 0.000 0.749 207 L CB -0.739 41.301 42.059 -0.031 0.000 0.901 207 L HN 0.125 nan 8.230 nan 0.000 0.433 208 L N 0.333 121.531 121.223 -0.042 0.000 1.978 208 L HA -0.245 4.095 4.340 -0.000 0.000 0.218 208 L C 2.418 179.271 176.870 -0.029 0.000 1.075 208 L CA 2.479 57.291 54.840 -0.046 0.000 0.767 208 L CB -1.186 40.844 42.059 -0.047 0.000 0.890 208 L HN 0.221 nan 8.230 nan 0.000 0.434 209 T N -0.188 114.354 114.554 -0.019 0.000 2.995 209 T HA 0.000 4.350 4.350 -0.000 0.000 0.269 209 T C 1.843 176.537 174.700 -0.011 0.000 1.091 209 T CA 0.908 63.001 62.100 -0.013 0.000 1.128 209 T CB -0.474 68.390 68.868 -0.007 0.000 0.891 209 T HN 0.523 nan 8.240 nan 0.000 0.492 210 A N 1.160 123.975 122.820 -0.009 0.000 2.014 210 A HA 0.150 4.470 4.320 -0.000 0.000 0.218 210 A C 2.247 179.824 177.584 -0.011 0.000 1.163 210 A CA 0.744 52.780 52.037 -0.002 0.000 0.652 210 A CB -0.604 18.401 19.000 0.009 0.000 0.808 210 A HN 0.438 nan 8.150 nan 0.000 0.449 211 L N -0.247 120.962 121.223 -0.024 0.000 2.072 211 L HA -0.129 4.211 4.340 -0.000 0.000 0.205 211 L C 1.724 178.566 176.870 -0.047 0.000 1.079 211 L CA 1.131 55.949 54.840 -0.037 0.000 0.752 211 L CB -0.539 41.495 42.059 -0.042 0.000 0.906 211 L HN 0.445 nan 8.230 nan 0.000 0.436 212 N N 0.236 118.915 118.700 -0.036 0.000 2.550 212 N HA -0.092 4.648 4.740 -0.000 0.000 0.186 212 N C 0.121 175.605 175.510 -0.043 0.000 1.110 212 N CA 0.596 53.621 53.050 -0.042 0.000 0.912 212 N CB 0.099 38.577 38.487 -0.015 0.000 0.968 212 N HN 0.408 nan 8.380 nan 0.000 0.448 213 E N 0.974 121.156 120.200 -0.030 0.000 2.026 213 E HA 0.159 4.509 4.350 -0.000 0.000 0.253 213 E C -0.478 176.110 176.600 -0.020 0.000 1.056 213 E CA -0.424 55.965 56.400 -0.019 0.000 0.927 213 E CB 0.245 29.941 29.700 -0.007 0.000 1.172 213 E HN 0.129 nan 8.360 nan 0.000 0.445 214 C N 2.694 121.973 119.300 -0.035 0.000 2.250 214 C HA -0.027 4.433 4.460 -0.000 0.000 0.405 214 C C 0.671 175.664 174.990 0.005 0.000 1.516 214 C CA 0.192 59.190 59.018 -0.034 0.000 1.412 214 C CB -1.579 26.128 27.740 -0.055 0.000 2.534 214 C HN 0.525 nan 8.230 nan 0.000 0.621 215 T N 2.345 116.919 114.554 0.033 0.000 3.523 215 T HA 0.117 4.467 4.350 -0.000 0.000 0.265 215 T C 0.640 175.445 174.700 0.174 0.000 0.986 215 T CA -0.443 61.714 62.100 0.094 0.000 1.616 215 T CB 0.407 69.319 68.868 0.074 0.000 0.803 215 T HN 0.664 nan 8.240 nan 0.000 0.603 216 E N 1.146 121.491 120.200 0.242 0.000 2.340 216 E HA -0.290 4.060 4.350 -0.000 0.000 0.246 216 E C 1.639 178.198 176.600 -0.069 0.000 1.077 216 E CA 2.565 59.025 56.400 0.101 0.000 1.060 216 E CB -0.284 29.456 29.700 0.067 0.000 0.935 216 E HN 0.730 nan 8.360 nan 0.000 0.495 217 W N 0.303 121.415 121.300 -0.313 0.000 2.275 217 W HA -0.335 4.325 4.660 -0.000 0.000 0.321 217 W C 2.489 178.268 176.519 -1.233 0.000 1.269 217 W CA 0.984 57.937 57.345 -0.652 0.000 1.274 217 W CB -0.764 28.577 29.460 -0.199 0.000 1.141 217 W HN 0.269 nan 8.180 nan 0.000 0.493 218 A N 0.576 123.254 122.820 -0.237 0.000 1.829 218 A HA -0.301 4.019 4.320 -0.000 0.000 0.216 218 A C 1.857 179.316 177.584 -0.208 0.000 1.207 218 A CA 2.396 54.375 52.037 -0.097 0.000 0.622 218 A CB -1.404 17.631 19.000 0.057 0.000 0.846 218 A HN 0.421 nan 8.150 nan 0.000 0.447 219 Q N -0.873 118.840 119.800 -0.145 0.000 2.105 219 Q HA -0.317 4.023 4.340 -0.000 0.000 0.217 219 Q C 1.981 177.877 176.000 -0.173 0.000 1.029 219 Q CA 2.073 57.797 55.803 -0.131 0.000 0.899 219 Q CB -0.858 27.802 28.738 -0.130 0.000 1.000 219 Q HN 0.636 nan 8.270 nan 0.000 0.414 220 I N 0.163 120.535 120.570 -0.329 0.000 2.032 220 I HA -0.285 3.885 4.170 -0.000 0.000 0.228 220 I C 2.182 178.235 176.117 -0.106 0.000 1.030 220 I CA 1.646 62.766 61.300 -0.301 0.000 1.318 220 I CB -1.043 36.658 38.000 -0.499 0.000 1.049 220 I HN 0.207 nan 8.210 nan 0.000 0.387 221 F N 0.104 120.062 119.950 0.012 0.000 2.094 221 F HA -0.372 4.155 4.527 -0.000 0.000 0.296 221 F C 2.462 178.279 175.800 0.029 0.000 1.070 221 F CA 1.228 59.244 58.000 0.026 0.000 1.255 221 F CB -0.991 38.037 39.000 0.048 0.000 1.000 221 F HN 0.145 nan 8.300 nan 0.000 0.490 222 I N 0.366 121.038 120.570 0.171 0.000 2.090 222 I HA -0.322 3.848 4.170 -0.000 0.000 0.236 222 I C 2.408 178.563 176.117 0.064 0.000 1.064 222 I CA 1.522 62.879 61.300 0.096 0.000 1.324 222 I CB -0.724 37.295 38.000 0.032 0.000 1.044 222 I HN 0.130 nan 8.210 nan 0.000 0.399 223 L N 0.223 121.461 121.223 0.025 0.000 1.990 223 L HA -0.297 4.043 4.340 -0.000 0.000 0.213 223 L C 2.446 179.361 176.870 0.074 0.000 1.072 223 L CA 1.669 56.524 54.840 0.024 0.000 0.755 223 L CB -1.121 40.934 42.059 -0.005 0.000 0.889 223 L HN 0.420 nan 8.230 nan 0.000 0.432 224 D N -0.041 120.406 120.400 0.079 0.000 2.254 224 D HA -0.244 4.396 4.640 -0.000 0.000 0.201 224 D C 2.085 178.447 176.300 0.103 0.000 0.998 224 D CA 1.612 55.665 54.000 0.088 0.000 0.885 224 D CB 0.161 41.045 40.800 0.141 0.000 0.915 224 D HN 0.452 nan 8.370 nan 0.000 0.460 225 C N -0.027 119.360 119.300 0.145 0.000 2.505 225 C HA 0.083 4.543 4.460 -0.000 0.000 0.279 225 C C 2.670 177.864 174.990 0.339 0.000 1.316 225 C CA -0.231 58.917 59.018 0.217 0.000 1.720 225 C CB -0.890 26.998 27.740 0.247 0.000 2.050 225 C HN 0.420 nan 8.230 nan 0.000 0.493 226 L N 0.926 122.285 121.223 0.227 0.000 2.556 226 L HA -0.052 4.288 4.340 -0.000 0.000 0.230 226 L C 1.995 179.086 176.870 0.369 0.000 1.163 226 L CA 1.165 56.161 54.840 0.261 0.000 0.819 226 L CB -1.169 41.014 42.059 0.207 0.000 0.939 226 L HN 0.511 nan 8.230 nan 0.000 0.452 227 G N -0.454 108.482 108.800 0.226 0.000 3.379 227 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.253 227 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.253 227 G C 0.751 175.678 174.900 0.045 0.000 1.262 227 G CA -0.092 45.055 45.100 0.080 0.000 0.959 227 G HN 0.248 nan 8.290 nan 0.000 0.524 228 N N -1.183 117.610 118.700 0.155 0.000 2.142 228 N HA 0.151 4.891 4.740 -0.000 0.000 0.233 228 N C -0.830 174.664 175.510 -0.027 0.000 1.335 228 N CA -0.281 52.777 53.050 0.013 0.000 0.837 228 N CB 0.825 39.285 38.487 -0.044 0.000 1.238 228 N HN 0.244 nan 8.380 nan 0.000 0.501 229 Y N -0.136 120.141 120.300 -0.038 0.000 3.012 229 Y HA 0.422 4.972 4.550 -0.000 0.000 0.324 229 Y C 1.281 177.118 175.900 -0.104 0.000 1.342 229 Y CA -0.724 57.370 58.100 -0.011 0.000 1.076 229 Y CB 0.194 38.738 38.460 0.139 0.000 1.372 229 Y HN -0.167 nan 8.280 nan 0.000 0.688 230 M N -0.694 119.085 119.600 0.298 0.000 2.921 230 M HA -0.141 4.339 4.480 -0.000 0.000 0.206 230 M C -2.736 173.626 176.300 0.104 0.000 0.574 230 M CA -0.590 54.824 55.300 0.191 0.000 0.746 230 M CB -2.744 29.869 32.600 0.022 0.000 2.693 230 M HN 0.378 nan 8.290 nan 0.000 0.439 231 P HA 0.211 nan 4.420 nan 0.000 0.257 231 P C 0.702 178.035 177.300 0.055 0.000 1.189 231 P CA 0.427 63.556 63.100 0.048 0.000 0.780 231 P CB 0.551 32.271 31.700 0.033 0.000 0.772 232 K N -0.081 120.347 120.400 0.045 0.000 3.495 232 K HA -0.168 4.152 4.320 -0.000 0.000 0.288 232 K C 0.163 176.787 176.600 0.039 0.000 0.908 232 K CA 1.481 57.791 56.287 0.038 0.000 1.231 232 K CB -1.664 30.853 32.500 0.028 0.000 1.399 232 K HN 0.524 nan 8.250 nan 0.000 0.465 233 D N 0.927 121.356 120.400 0.048 0.000 2.210 233 D HA 0.094 4.734 4.640 -0.000 0.000 0.249 233 D C 0.969 177.279 176.300 0.018 0.000 1.062 233 D CA -0.188 53.830 54.000 0.030 0.000 0.891 233 D CB 1.354 42.170 40.800 0.027 0.000 1.186 233 D HN -0.004 nan 8.370 nan 0.000 0.432 234 D N 2.014 122.403 120.400 -0.018 0.000 2.120 234 D HA -0.059 4.581 4.640 -0.000 0.000 0.202 234 D C 1.707 177.954 176.300 -0.088 0.000 0.972 234 D CA 0.756 54.713 54.000 -0.072 0.000 0.837 234 D CB 0.407 41.149 40.800 -0.097 0.000 0.989 234 D HN 0.316 nan 8.370 nan 0.000 0.469 235 R N 0.464 120.931 120.500 -0.055 0.000 2.105 235 R HA -0.106 4.234 4.340 -0.000 0.000 0.239 235 R C 2.281 178.559 176.300 -0.037 0.000 1.135 235 R CA 1.201 57.272 56.100 -0.048 0.000 0.967 235 R CB -0.025 30.259 30.300 -0.027 0.000 0.861 235 R HN 0.385 nan 8.270 nan 0.000 0.442 236 E N 0.285 120.473 120.200 -0.019 0.000 2.072 236 E HA -0.153 4.197 4.350 -0.000 0.000 0.191 236 E C 2.100 178.690 176.600 -0.017 0.000 0.985 236 E CA 1.004 57.399 56.400 -0.009 0.000 0.801 236 E CB -0.121 29.590 29.700 0.018 0.000 0.750 236 E HN 0.343 nan 8.360 nan 0.000 0.452 237 A N 1.806 124.625 122.820 -0.002 0.000 1.851 237 A HA -0.291 4.029 4.320 -0.000 0.000 0.216 237 A C 2.119 179.709 177.584 0.009 0.000 1.195 237 A CA 1.688 53.740 52.037 0.025 0.000 0.622 237 A CB -0.762 18.256 19.000 0.029 0.000 0.831 237 A HN 0.178 nan 8.150 nan 0.000 0.444 238 Q N -0.979 118.790 119.800 -0.052 0.000 2.308 238 Q HA -0.166 4.174 4.340 -0.000 0.000 0.209 238 Q C 2.293 178.314 176.000 0.034 0.000 0.985 238 Q CA 1.588 57.402 55.803 0.018 0.000 0.881 238 Q CB -0.137 28.566 28.738 -0.058 0.000 0.917 238 Q HN 0.679 nan 8.270 nan 0.000 0.443 239 S N -0.494 115.200 115.700 -0.010 0.000 2.427 239 S HA 0.060 4.530 4.470 -0.000 0.000 0.224 239 S C 1.759 176.325 174.600 -0.056 0.000 1.047 239 S CA -0.066 58.120 58.200 -0.023 0.000 0.953 239 S CB 0.092 63.275 63.200 -0.028 0.000 0.824 239 S HN 0.280 nan 8.310 nan 0.000 0.502 240 I N 1.221 121.734 120.570 -0.095 0.000 2.151 240 I HA -0.276 3.894 4.170 -0.000 0.000 0.243 240 I C 2.321 178.330 176.117 -0.181 0.000 1.080 240 I CA 1.160 62.346 61.300 -0.191 0.000 1.339 240 I CB -0.417 37.383 38.000 -0.332 0.000 1.039 240 I HN 0.430 nan 8.210 nan 0.000 0.409 241 C N -0.023 119.214 119.300 -0.106 0.000 2.518 241 C HA -0.078 4.382 4.460 -0.000 0.000 0.279 241 C C 2.608 177.578 174.990 -0.034 0.000 1.279 241 C CA 0.269 59.250 59.018 -0.062 0.000 1.703 241 C CB -0.821 26.942 27.740 0.040 0.000 2.072 241 C HN 0.421 nan 8.230 nan 0.000 0.487 242 E N 0.688 120.892 120.200 0.006 0.000 2.455 242 E HA -0.111 4.239 4.350 -0.000 0.000 0.202 242 E C 2.222 178.809 176.600 -0.020 0.000 1.045 242 E CA 0.749 57.150 56.400 0.003 0.000 0.872 242 E CB -0.147 29.568 29.700 0.025 0.000 0.792 242 E HN 0.361 nan 8.360 nan 0.000 0.542 243 R N -1.143 119.333 120.500 -0.039 0.000 2.156 243 R HA 0.130 4.470 4.340 -0.000 0.000 0.207 243 R C 1.874 178.149 176.300 -0.042 0.000 1.040 243 R CA 0.473 56.548 56.100 -0.042 0.000 1.013 243 R CB -0.193 30.070 30.300 -0.061 0.000 0.931 243 R HN 0.125 nan 8.270 nan 0.000 0.465 244 V N 0.821 120.699 119.914 -0.061 0.000 3.041 244 V HA -0.102 4.018 4.120 -0.000 0.000 0.260 244 V C 1.908 177.979 176.094 -0.038 0.000 1.105 244 V CA 1.423 63.690 62.300 -0.054 0.000 1.125 244 V CB -0.541 31.232 31.823 -0.083 0.000 0.730 244 V HN 0.270 nan 8.190 nan 0.000 0.479 245 T N 0.928 115.455 114.554 -0.046 0.000 2.751 245 T HA -0.172 4.178 4.350 -0.000 0.000 0.268 245 T C -0.145 174.514 174.700 -0.069 0.000 1.045 245 T CA 2.234 64.301 62.100 -0.055 0.000 1.142 245 T CB -0.893 67.945 68.868 -0.051 0.000 0.851 245 T HN 0.507 nan 8.240 nan 0.000 0.474 246 P HA 0.089 nan 4.420 nan 0.000 0.217 246 P C 1.587 178.849 177.300 -0.064 0.000 1.154 246 P CA 0.473 63.494 63.100 -0.131 0.000 0.841 246 P CB 0.060 31.755 31.700 -0.009 0.000 0.790 247 R N -0.032 120.540 120.500 0.120 0.000 2.165 247 R HA -0.174 4.166 4.340 -0.000 0.000 0.254 247 R C 2.188 178.526 176.300 0.064 0.000 1.153 247 R CA 1.315 57.500 56.100 0.142 0.000 0.971 247 R CB -1.919 28.404 30.300 0.039 0.000 0.878 247 R HN 0.317 nan 8.270 nan 0.000 0.449 248 L N 0.469 121.686 121.223 -0.011 0.000 1.976 248 L HA -0.155 4.185 4.340 -0.000 0.000 0.209 248 L C 2.409 179.259 176.870 -0.035 0.000 1.071 248 L CA 1.895 56.717 54.840 -0.029 0.000 0.746 248 L CB -0.871 41.159 42.059 -0.048 0.000 0.890 248 L HN 0.262 nan 8.230 nan 0.000 0.432 249 S N -1.853 113.795 115.700 -0.087 0.000 2.547 249 S HA -0.113 4.357 4.470 -0.000 0.000 0.235 249 S C 1.412 175.970 174.600 -0.069 0.000 0.980 249 S CA 0.191 58.332 58.200 -0.098 0.000 0.941 249 S CB -0.603 62.509 63.200 -0.148 0.000 0.763 249 S HN 0.367 nan 8.310 nan 0.000 0.532 250 H N 2.072 121.125 119.070 -0.028 0.000 4.194 250 H HA 0.426 4.982 4.556 -0.000 0.000 0.297 250 H C 2.131 177.445 175.328 -0.024 0.000 0.993 250 H CA 0.924 56.957 56.048 -0.025 0.000 1.028 250 H CB -0.915 28.830 29.762 -0.027 0.000 1.963 250 H HN 0.459 nan 8.280 nan 0.000 1.278 251 A N 1.199 124.096 122.820 0.129 0.000 3.894 251 A HA 0.024 4.344 4.320 -0.000 0.000 0.155 251 A C 0.363 177.947 177.584 -0.001 0.000 1.539 251 A CA 0.129 52.188 52.037 0.036 0.000 1.073 251 A CB -0.491 18.505 19.000 -0.007 0.000 1.250 251 A HN 0.626 nan 8.150 nan 0.000 0.538 252 N N -0.027 118.646 118.700 -0.045 0.000 2.425 252 N HA 0.273 5.013 4.740 -0.000 0.000 0.268 252 N C 0.973 176.421 175.510 -0.104 0.000 0.991 252 N CA 0.681 53.688 53.050 -0.072 0.000 0.931 252 N CB 1.489 39.918 38.487 -0.098 0.000 1.130 252 N HN 0.679 nan 8.380 nan 0.000 0.493 253 S N 3.094 118.750 115.700 -0.074 0.000 2.360 253 S HA -0.440 4.030 4.470 -0.000 0.000 0.441 253 S C 1.904 176.441 174.600 -0.104 0.000 1.096 253 S CA 2.162 60.317 58.200 -0.075 0.000 2.457 253 S CB -1.242 61.918 63.200 -0.067 0.000 1.862 253 S HN 0.745 nan 8.310 nan 0.000 0.512 254 A N 2.992 125.721 122.820 -0.151 0.000 1.935 254 A HA -0.205 4.115 4.320 -0.000 0.000 0.224 254 A C 2.622 180.103 177.584 -0.171 0.000 1.324 254 A CA 4.312 56.234 52.037 -0.191 0.000 0.686 254 A CB -2.047 16.758 19.000 -0.325 0.000 0.837 254 A HN 1.684 nan 8.150 nan 0.000 0.481 255 V N -2.291 117.517 119.914 -0.177 0.000 2.220 255 V HA -0.239 3.881 4.120 -0.000 0.000 0.242 255 V C 2.129 178.174 176.094 -0.082 0.000 1.041 255 V CA 2.130 64.350 62.300 -0.133 0.000 0.990 255 V CB -1.830 29.930 31.823 -0.106 0.000 0.634 255 V HN 0.346 nan 8.190 nan 0.000 0.452 256 V N 0.755 120.635 119.914 -0.057 0.000 2.257 256 V HA -0.325 3.795 4.120 -0.000 0.000 0.257 256 V C 2.609 178.679 176.094 -0.040 0.000 1.077 256 V CA 2.678 64.954 62.300 -0.039 0.000 1.063 256 V CB -1.095 30.708 31.823 -0.033 0.000 0.664 256 V HN 0.624 nan 8.190 nan 0.000 0.450 257 L N 0.185 121.379 121.223 -0.048 0.000 1.910 257 L HA -0.160 4.180 4.340 -0.000 0.000 0.221 257 L C 2.549 179.400 176.870 -0.031 0.000 1.084 257 L CA 2.656 57.474 54.840 -0.036 0.000 0.779 257 L CB -1.439 40.596 42.059 -0.041 0.000 0.888 257 L HN 0.447 nan 8.230 nan 0.000 0.432 258 S N 0.268 115.942 115.700 -0.044 0.000 2.409 258 S HA -0.321 4.149 4.470 -0.000 0.000 0.237 258 S C 2.004 176.594 174.600 -0.016 0.000 1.060 258 S CA 1.635 59.817 58.200 -0.031 0.000 1.052 258 S CB -0.629 62.536 63.200 -0.058 0.000 0.871 258 S HN 0.714 nan 8.310 nan 0.000 0.465 259 A N 1.039 123.840 122.820 -0.031 0.000 1.851 259 A HA -0.107 4.213 4.320 -0.000 0.000 0.216 259 A C 2.370 179.951 177.584 -0.006 0.000 1.195 259 A CA 1.976 53.998 52.037 -0.025 0.000 0.622 259 A CB -1.145 17.835 19.000 -0.034 0.000 0.831 259 A HN 0.359 nan 8.150 nan 0.000 0.444 260 V N 0.852 120.760 119.914 -0.010 0.000 2.282 260 V HA -0.365 3.755 4.120 -0.000 0.000 0.249 260 V C 2.547 178.657 176.094 0.027 0.000 1.057 260 V CA 2.648 64.947 62.300 -0.003 0.000 1.032 260 V CB -0.932 30.883 31.823 -0.012 0.000 0.645 260 V HN 0.797 nan 8.190 nan 0.000 0.447 261 K N 0.510 120.927 120.400 0.029 0.000 2.127 261 K HA -0.287 4.033 4.320 -0.000 0.000 0.212 261 K C 1.970 178.625 176.600 0.092 0.000 1.050 261 K CA 2.774 59.091 56.287 0.050 0.000 0.929 261 K CB -0.383 32.139 32.500 0.038 0.000 0.715 261 K HN 0.531 nan 8.250 nan 0.000 0.457 262 V N -1.526 118.468 119.914 0.134 0.000 2.379 262 V HA -0.074 4.046 4.120 -0.000 0.000 0.243 262 V C 2.229 178.558 176.094 0.391 0.000 1.035 262 V CA 1.153 63.640 62.300 0.312 0.000 1.035 262 V CB -0.757 31.268 31.823 0.337 0.000 0.673 262 V HN 0.277 nan 8.190 nan 0.000 0.457 263 L N -0.690 120.636 121.223 0.172 0.000 2.123 263 L HA -0.275 4.065 4.340 -0.000 0.000 0.217 263 L C 2.799 179.752 176.870 0.138 0.000 1.081 263 L CA 2.687 57.591 54.840 0.107 0.000 0.772 263 L CB -0.523 41.536 42.059 -0.001 0.000 0.890 263 L HN 0.345 nan 8.230 nan 0.000 0.437 264 M N -1.393 118.269 119.600 0.103 0.000 2.514 264 M HA -0.082 4.398 4.480 -0.000 0.000 0.258 264 M C 2.087 178.424 176.300 0.062 0.000 1.119 264 M CA 0.749 56.082 55.300 0.055 0.000 1.111 264 M CB 0.105 32.713 32.600 0.013 0.000 1.390 264 M HN 0.067 nan 8.290 nan 0.000 0.475 265 K N 0.218 120.659 120.400 0.068 0.000 2.365 265 K HA -0.017 4.303 4.320 -0.000 0.000 0.197 265 K C 1.051 177.498 176.600 -0.256 0.000 1.042 265 K CA 1.082 57.302 56.287 -0.111 0.000 0.987 265 K CB 0.180 32.544 32.500 -0.226 0.000 0.779 265 K HN 0.156 nan 8.250 nan 0.000 0.484 266 F N 0.814 120.794 119.950 0.049 0.000 2.530 266 F HA 0.214 4.741 4.527 -0.000 0.000 0.292 266 F C 1.149 177.018 175.800 0.114 0.000 1.109 266 F CA -0.086 57.958 58.000 0.073 0.000 1.450 266 F CB -0.174 38.863 39.000 0.062 0.000 1.114 266 F HN -0.122 nan 8.300 nan 0.000 0.560 276 Y N 0.799 121.151 120.300 0.087 0.000 2.117 276 Y HA -0.141 4.409 4.550 -0.000 0.000 0.277 276 Y C 1.797 177.791 175.900 0.157 0.000 1.104 276 Y CA 1.642 59.810 58.100 0.115 0.000 1.089 276 Y CB -0.584 37.961 38.460 0.142 0.000 0.999 276 Y HN -0.023 nan 8.280 nan 0.000 0.480 277 Y N 0.317 120.556 120.300 -0.102 0.000 1.997 277 Y HA -0.389 4.161 4.550 -0.000 0.000 0.265 277 Y C 2.801 178.612 175.900 -0.149 0.000 1.193 277 Y CA 2.302 60.287 58.100 -0.193 0.000 1.106 277 Y CB -1.387 37.047 38.460 -0.042 0.000 0.940 277 Y HN 0.283 nan 8.280 nan 0.000 0.494 278 A N -0.890 121.989 122.820 0.100 0.000 2.009 278 A HA -0.309 4.011 4.320 -0.000 0.000 0.222 278 A C 2.240 179.810 177.584 -0.023 0.000 1.175 278 A CA 2.598 54.657 52.037 0.036 0.000 0.651 278 A CB -1.312 17.718 19.000 0.050 0.000 0.815 278 A HN 0.575 nan 8.150 nan 0.000 0.459 279 T N 0.207 114.731 114.554 -0.050 0.000 2.639 279 T HA -0.075 4.275 4.350 -0.000 0.000 0.261 279 T C 1.822 176.447 174.700 -0.125 0.000 1.053 279 T CA 1.207 63.266 62.100 -0.069 0.000 1.158 279 T CB -0.354 68.483 68.868 -0.052 0.000 0.863 279 T HN 0.218 nan 8.240 nan 0.000 0.413 280 L N 1.124 122.209 121.223 -0.230 0.000 1.956 280 L HA -0.088 4.252 4.340 -0.000 0.000 0.216 280 L C 2.584 179.339 176.870 -0.192 0.000 1.073 280 L CA 1.831 56.517 54.840 -0.258 0.000 0.762 280 L CB -1.452 40.350 42.059 -0.428 0.000 0.889 280 L HN 0.339 nan 8.230 nan 0.000 0.433 281 L N -0.749 120.355 121.223 -0.198 0.000 2.081 281 L HA -0.278 4.062 4.340 -0.000 0.000 0.212 281 L C 2.408 179.230 176.870 -0.080 0.000 1.080 281 L CA 1.438 56.198 54.840 -0.134 0.000 0.754 281 L CB -0.596 41.405 42.059 -0.096 0.000 0.893 281 L HN 0.311 nan 8.230 nan 0.000 0.433 282 K N -0.309 120.054 120.400 -0.061 0.000 2.418 282 K HA -0.058 4.262 4.320 -0.000 0.000 0.195 282 K C 1.945 178.517 176.600 -0.047 0.000 1.035 282 K CA 0.520 56.786 56.287 -0.036 0.000 1.003 282 K CB 0.244 32.735 32.500 -0.015 0.000 0.793 282 K HN 0.290 nan 8.250 nan 0.000 0.494 283 K N 0.024 120.384 120.400 -0.066 0.000 2.214 283 K HA 0.039 4.359 4.320 -0.000 0.000 0.201 283 K C 1.645 178.204 176.600 -0.069 0.000 1.049 283 K CA 0.158 56.406 56.287 -0.065 0.000 0.978 283 K CB 0.115 32.571 32.500 -0.074 0.000 0.842 283 K HN -0.076 nan 8.250 nan 0.000 0.474 284 L N 1.526 122.699 121.223 -0.083 0.000 2.261 284 L HA -0.182 4.158 4.340 -0.000 0.000 0.216 284 L C 2.019 178.850 176.870 -0.065 0.000 1.114 284 L CA 1.337 56.130 54.840 -0.078 0.000 0.777 284 L CB -0.662 41.338 42.059 -0.098 0.000 0.910 284 L HN 0.142 nan 8.230 nan 0.000 0.440 285 A N 0.234 123.014 122.820 -0.067 0.000 1.824 285 A HA -0.104 4.216 4.320 -0.000 0.000 0.215 285 A C 0.066 177.619 177.584 -0.051 0.000 1.209 285 A CA 1.562 53.557 52.037 -0.069 0.000 0.614 285 A CB -1.981 16.971 19.000 -0.080 0.000 0.852 285 A HN 0.312 nan 8.150 nan 0.000 0.447 286 P HA -0.098 nan 4.420 nan 0.000 0.220 286 P C -1.530 175.754 177.300 -0.026 0.000 1.144 286 P CA 1.536 64.616 63.100 -0.033 0.000 0.800 286 P CB -0.578 31.102 31.700 -0.033 0.000 0.772 287 P HA -0.084 nan 4.420 nan 0.000 0.212 287 P C 1.662 178.953 177.300 -0.014 0.000 1.180 287 P CA 1.110 64.193 63.100 -0.027 0.000 0.902 287 P CB -0.445 31.234 31.700 -0.035 0.000 0.778 288 L N -0.941 120.277 121.223 -0.009 0.000 2.013 288 L HA -0.199 4.141 4.340 -0.000 0.000 0.212 288 L C 2.383 179.273 176.870 0.033 0.000 1.073 288 L CA 1.671 56.519 54.840 0.013 0.000 0.753 288 L CB -1.502 40.571 42.059 0.024 0.000 0.890 288 L HN -0.119 nan 8.230 nan 0.000 0.432 289 V N 0.059 119.996 119.914 0.040 0.000 2.219 289 V HA -0.326 3.794 4.120 -0.000 0.000 0.248 289 V C 2.467 178.572 176.094 0.019 0.000 1.053 289 V CA 2.614 64.948 62.300 0.056 0.000 1.009 289 V CB -1.025 30.820 31.823 0.037 0.000 0.636 289 V HN 0.528 nan 8.190 nan 0.000 0.445 290 T N 0.666 115.222 114.554 0.004 0.000 3.077 290 T HA -0.126 4.224 4.350 -0.000 0.000 0.269 290 T C 1.652 176.346 174.700 -0.009 0.000 1.146 290 T CA 1.103 63.201 62.100 -0.004 0.000 1.091 290 T CB -0.310 68.553 68.868 -0.009 0.000 0.892 290 T HN 0.303 nan 8.240 nan 0.000 0.533 291 L N 0.397 121.614 121.223 -0.009 0.000 2.240 291 L HA 0.236 4.576 4.340 -0.000 0.000 0.211 291 L C 1.786 178.641 176.870 -0.025 0.000 1.106 291 L CA 1.415 56.245 54.840 -0.016 0.000 0.793 291 L CB -0.469 41.582 42.059 -0.013 0.000 0.927 291 L HN 0.248 nan 8.230 nan 0.000 0.446 292 L N -0.873 120.331 121.223 -0.032 0.000 2.354 292 L HA 0.083 4.423 4.340 -0.000 0.000 0.212 292 L C 2.057 178.901 176.870 -0.044 0.000 1.091 292 L CA 0.894 55.699 54.840 -0.058 0.000 0.828 292 L CB -0.621 41.368 42.059 -0.117 0.000 0.973 292 L HN 0.434 nan 8.230 nan 0.000 0.461 293 S N 0.083 115.767 115.700 -0.027 0.000 2.805 293 S HA 0.120 4.590 4.470 -0.000 0.000 0.230 293 S C 1.236 175.827 174.600 -0.016 0.000 0.968 293 S CA 0.374 58.563 58.200 -0.018 0.000 0.976 293 S CB -0.233 62.962 63.200 -0.007 0.000 0.787 293 S HN 0.306 nan 8.310 nan 0.000 0.533 294 A N 1.552 124.360 122.820 -0.019 0.000 3.129 294 A HA 0.506 4.826 4.320 -0.000 0.000 0.200 294 A C 0.580 178.157 177.584 -0.013 0.000 1.924 294 A CA -0.071 51.957 52.037 -0.015 0.000 0.781 294 A CB 0.024 19.014 19.000 -0.018 0.000 1.283 294 A HN 0.541 nan 8.150 nan 0.000 0.467 295 E N -1.111 119.082 120.200 -0.011 0.000 2.343 295 E HA 0.356 4.706 4.350 -0.000 0.000 0.270 295 E C -2.260 174.346 176.600 0.009 0.000 0.895 295 E CA -2.091 54.307 56.400 -0.003 0.000 0.767 295 E CB 2.243 31.943 29.700 -0.001 0.000 1.248 295 E HN 0.073 nan 8.360 nan 0.000 0.440 296 P HA -0.285 nan 4.420 nan 0.000 0.217 296 P C 0.507 177.855 177.300 0.080 0.000 0.876 296 P CA 1.490 64.632 63.100 0.071 0.000 1.034 296 P CB 0.177 31.919 31.700 0.069 0.000 0.655 297 E N -0.539 119.693 120.200 0.052 0.000 2.136 297 E HA -0.227 4.123 4.350 -0.000 0.000 0.208 297 E C -0.542 176.036 176.600 -0.036 0.000 1.035 297 E CA 2.374 58.747 56.400 -0.045 0.000 0.838 297 E CB -2.162 27.515 29.700 -0.037 0.000 0.748 297 E HN 0.451 nan 8.360 nan 0.000 0.459 298 P HA -0.197 nan 4.420 nan 0.000 0.211 298 P C 0.940 178.246 177.300 0.009 0.000 1.179 298 P CA 1.376 64.474 63.100 -0.004 0.000 0.910 298 P CB -0.048 31.643 31.700 -0.014 0.000 0.785 299 Q N -1.870 117.934 119.800 0.006 0.000 2.226 299 Q HA -0.328 4.012 4.340 -0.000 0.000 0.220 299 Q C 2.015 178.024 176.000 0.015 0.000 1.037 299 Q CA 2.159 57.961 55.803 -0.001 0.000 0.940 299 Q CB -1.159 27.588 28.738 0.014 0.000 1.037 299 Q HN 0.279 nan 8.270 nan 0.000 0.420 300 Y N 0.755 120.988 120.300 -0.111 0.000 2.108 300 Y HA -0.358 4.192 4.550 -0.000 0.000 0.232 300 Y C 2.361 178.212 175.900 -0.081 0.000 1.037 300 Y CA 1.774 59.790 58.100 -0.140 0.000 1.027 300 Y CB -0.911 37.357 38.460 -0.320 0.000 0.969 300 Y HN -0.073 nan 8.280 nan 0.000 0.498 301 V N 1.937 121.848 119.914 -0.004 0.000 2.258 301 V HA -0.456 3.664 4.120 -0.000 0.000 0.259 301 V C -0.275 175.761 176.094 -0.097 0.000 1.076 301 V CA 3.191 65.454 62.300 -0.061 0.000 1.084 301 V CB -2.612 29.227 31.823 0.027 0.000 0.706 301 V HN 0.484 nan 8.190 nan 0.000 0.461 302 P HA -0.217 nan 4.420 nan 0.000 0.211 302 P C 1.938 179.203 177.300 -0.059 0.000 1.181 302 P CA 1.975 65.048 63.100 -0.045 0.000 0.929 302 P CB -0.253 31.424 31.700 -0.038 0.000 0.789 303 L N -1.164 120.005 121.223 -0.091 0.000 2.030 303 L HA -0.280 4.060 4.340 -0.000 0.000 0.222 303 L C 3.005 179.837 176.870 -0.063 0.000 1.082 303 L CA 2.090 56.882 54.840 -0.079 0.000 0.785 303 L CB -0.975 41.009 42.059 -0.125 0.000 0.895 303 L HN -0.025 nan 8.230 nan 0.000 0.439 304 R N 0.627 121.025 120.500 -0.171 0.000 2.112 304 R HA -0.188 4.152 4.340 -0.000 0.000 0.242 304 R C 1.894 178.220 176.300 0.044 0.000 1.137 304 R CA 2.331 58.392 56.100 -0.066 0.000 0.944 304 R CB -0.691 29.486 30.300 -0.206 0.000 0.857 304 R HN 0.535 nan 8.270 nan 0.000 0.435 305 N N -0.409 118.288 118.700 -0.004 0.000 2.080 305 N HA -0.129 4.611 4.740 -0.000 0.000 0.189 305 N C 1.659 177.159 175.510 -0.016 0.000 1.036 305 N CA 1.174 54.219 53.050 -0.009 0.000 0.846 305 N CB -0.198 38.289 38.487 0.001 0.000 1.015 305 N HN 0.054 nan 8.380 nan 0.000 0.423 306 I N 2.141 122.720 120.570 0.014 0.000 2.161 306 I HA -0.371 3.799 4.170 -0.000 0.000 0.246 306 I C 2.176 178.311 176.117 0.030 0.000 1.048 306 I CA 1.577 62.909 61.300 0.054 0.000 1.314 306 I CB -1.499 36.593 38.000 0.153 0.000 1.014 306 I HN 0.275 nan 8.210 nan 0.000 0.418 307 N N 1.264 119.979 118.700 0.024 0.000 2.002 307 N HA -0.225 4.515 4.740 -0.000 0.000 0.199 307 N C 1.898 177.361 175.510 -0.079 0.000 1.067 307 N CA 2.116 55.161 53.050 -0.007 0.000 0.870 307 N CB -0.612 37.877 38.487 0.003 0.000 1.073 307 N HN 0.295 nan 8.380 nan 0.000 0.432 308 L N 0.131 121.247 121.223 -0.178 0.000 2.151 308 L HA -0.287 4.053 4.340 -0.000 0.000 0.219 308 L C 2.363 179.178 176.870 -0.092 0.000 1.083 308 L CA 1.248 55.973 54.840 -0.192 0.000 0.782 308 L CB -0.698 41.232 42.059 -0.216 0.000 0.891 308 L HN 0.376 nan 8.230 nan 0.000 0.439 309 I N -0.200 120.335 120.570 -0.059 0.000 2.045 309 I HA -0.274 3.896 4.170 -0.000 0.000 0.233 309 I C 2.576 178.671 176.117 -0.036 0.000 1.048 309 I CA 1.873 63.150 61.300 -0.038 0.000 1.313 309 I CB -0.530 37.455 38.000 -0.026 0.000 1.043 309 I HN 0.233 nan 8.210 nan 0.000 0.393 310 V N -0.712 119.180 119.914 -0.038 0.000 2.660 310 V HA -0.313 3.807 4.120 -0.000 0.000 0.257 310 V C 2.294 178.370 176.094 -0.029 0.000 1.088 310 V CA 2.076 64.352 62.300 -0.040 0.000 1.106 310 V CB -1.101 30.690 31.823 -0.054 0.000 0.686 310 V HN 0.491 nan 8.190 nan 0.000 0.481 311 Q N 1.129 120.909 119.800 -0.034 0.000 2.084 311 Q HA -0.195 4.145 4.340 -0.000 0.000 0.202 311 Q C 2.146 178.136 176.000 -0.017 0.000 0.978 311 Q CA 2.525 58.310 55.803 -0.030 0.000 0.844 311 Q CB -0.255 28.452 28.738 -0.052 0.000 0.898 311 Q HN 0.739 nan 8.270 nan 0.000 0.426 312 K N -0.416 119.975 120.400 -0.016 0.000 2.017 312 K HA 0.080 4.400 4.320 -0.000 0.000 0.207 312 K C 0.144 176.755 176.600 0.019 0.000 1.035 312 K CA 1.018 57.306 56.287 0.003 0.000 0.947 312 K CB 0.349 32.851 32.500 0.003 0.000 0.749 312 K HN -0.101 nan 8.250 nan 0.000 0.443 313 R N 1.357 121.865 120.500 0.013 0.000 3.301 313 R HA 0.237 4.577 4.340 -0.000 0.000 0.286 313 R C -2.129 174.175 176.300 0.007 0.000 1.386 313 R CA -2.233 53.885 56.100 0.030 0.000 1.607 313 R CB 0.465 30.784 30.300 0.031 0.000 1.305 313 R HN 0.329 nan 8.270 nan 0.000 0.637 314 P HA -0.237 nan 4.420 nan 0.000 0.218 314 P C 0.429 177.723 177.300 -0.010 0.000 1.152 314 P CA 1.332 64.424 63.100 -0.014 0.000 0.857 314 P CB 0.421 32.118 31.700 -0.006 0.000 0.787 315 E N -0.456 119.754 120.200 0.018 0.000 2.301 315 E HA -0.192 4.158 4.350 -0.000 0.000 0.202 315 E C 2.043 178.653 176.600 0.016 0.000 1.017 315 E CA 0.801 57.221 56.400 0.034 0.000 0.831 315 E CB -0.720 29.021 29.700 0.069 0.000 0.742 315 E HN 0.378 nan 8.360 nan 0.000 0.491 316 I N 0.757 121.315 120.570 -0.019 0.000 2.226 316 I HA -0.213 3.957 4.170 -0.000 0.000 0.245 316 I C 1.523 177.592 176.117 -0.080 0.000 1.100 316 I CA 0.899 62.168 61.300 -0.051 0.000 1.374 316 I CB -0.058 37.900 38.000 -0.071 0.000 1.057 316 I HN 0.176 nan 8.210 nan 0.000 0.413 317 L N -1.914 119.244 121.223 -0.108 0.000 3.431 317 L HA 0.331 4.671 4.340 -0.000 0.000 0.316 317 L C 1.194 177.956 176.870 -0.179 0.000 1.305 317 L CA -0.006 54.715 54.840 -0.199 0.000 0.995 317 L CB -0.890 41.025 42.059 -0.239 0.000 1.411 317 L HN 0.112 nan 8.230 nan 0.000 0.610 318 K N 1.622 121.992 120.400 -0.049 0.000 2.385 318 K HA -0.204 4.116 4.320 -0.000 0.000 0.202 318 K C 1.537 178.174 176.600 0.063 0.000 1.044 318 K CA 2.282 58.581 56.287 0.020 0.000 0.933 318 K CB 0.035 32.583 32.500 0.080 0.000 0.744 318 K HN 0.771 nan 8.250 nan 0.000 0.479 319 H N -2.928 116.094 119.070 -0.079 0.000 3.398 319 H HA 0.217 4.773 4.556 -0.000 0.000 0.260 319 H C -0.545 174.724 175.328 -0.099 0.000 1.189 319 H CA -0.482 55.522 56.048 -0.075 0.000 1.145 319 H CB 0.223 29.956 29.762 -0.048 0.000 1.599 319 H HN -0.046 nan 8.280 nan 0.000 0.615 320 E N 1.709 121.631 120.200 -0.464 0.000 2.070 320 E HA 0.171 4.521 4.350 -0.000 0.000 0.282 320 E C 0.193 176.592 176.600 -0.334 0.000 1.104 320 E CA 0.050 56.222 56.400 -0.380 0.000 0.876 320 E CB 1.529 31.005 29.700 -0.373 0.000 1.055 320 E HN 0.551 nan 8.360 nan 0.000 0.401 321 M N 2.521 121.966 119.600 -0.258 0.000 1.969 321 M HA 0.048 4.528 4.480 -0.000 0.000 0.407 321 M C 0.304 176.387 176.300 -0.362 0.000 0.823 321 M CA 0.117 55.240 55.300 -0.294 0.000 1.155 321 M CB 0.540 32.994 32.600 -0.243 0.000 2.327 321 M HN 0.098 nan 8.290 nan 0.000 0.799 322 K N 0.931 121.149 120.400 -0.304 0.000 2.633 322 K HA -0.049 4.271 4.320 -0.000 0.000 0.193 322 K C 1.402 177.759 176.600 -0.405 0.000 1.033 322 K CA 1.221 57.268 56.287 -0.401 0.000 0.980 322 K CB -0.129 32.296 32.500 -0.125 0.000 0.800 322 K HN 0.534 nan 8.250 nan 0.000 0.493 323 V N -4.146 115.617 119.914 -0.251 0.000 3.151 323 V HA 0.092 4.212 4.120 -0.000 0.000 0.241 323 V C 1.263 177.397 176.094 0.068 0.000 1.173 323 V CA 0.146 62.425 62.300 -0.035 0.000 1.154 323 V CB -0.431 31.454 31.823 0.105 0.000 0.898 323 V HN -0.030 nan 8.190 nan 0.000 0.473 324 F N 1.714 121.534 119.950 -0.216 0.000 2.772 324 F HA 0.352 4.879 4.527 -0.000 0.000 0.301 324 F C 0.988 176.849 175.800 0.102 0.000 1.250 324 F CA -1.024 56.940 58.000 -0.060 0.000 1.441 324 F CB -1.536 37.439 39.000 -0.042 0.000 1.112 324 F HN 0.080 nan 8.300 nan 0.000 0.563 325 F N -0.517 119.578 119.950 0.242 0.000 2.403 325 F HA 0.312 4.839 4.527 -0.000 0.000 0.320 325 F C 0.653 176.544 175.800 0.151 0.000 1.176 325 F CA -1.209 56.950 58.000 0.264 0.000 1.206 325 F CB 0.708 39.866 39.000 0.263 0.000 1.235 325 F HN -0.379 nan 8.300 nan 0.000 0.565 326 V N 0.304 120.426 119.914 0.348 0.000 2.394 326 V HA 0.451 4.571 4.120 -0.000 0.000 0.282 326 V C -0.508 175.639 176.094 0.087 0.000 1.031 326 V CA -1.121 61.221 62.300 0.070 0.000 0.881 326 V CB 0.994 32.726 31.823 -0.152 0.000 0.982 326 V HN 0.665 nan 8.190 nan 0.000 0.451 327 K N 2.701 123.132 120.400 0.052 0.000 2.148 327 K HA 0.414 4.734 4.320 -0.000 0.000 0.239 327 K C 0.749 177.386 176.600 0.062 0.000 1.018 327 K CA -0.028 56.329 56.287 0.115 0.000 0.923 327 K CB 1.073 33.629 32.500 0.092 0.000 1.117 327 K HN 0.847 nan 8.250 nan 0.000 0.477 328 Y N -0.407 119.847 120.300 -0.076 0.000 2.243 328 Y HA -0.054 4.496 4.550 -0.000 0.000 0.293 328 Y C 1.229 177.052 175.900 -0.129 0.000 1.124 328 Y CA 0.967 58.995 58.100 -0.119 0.000 1.159 328 Y CB -0.422 37.996 38.460 -0.071 0.000 1.008 328 Y HN 0.493 nan 8.280 nan 0.000 0.527 329 N N 0.668 118.928 118.700 -0.734 0.000 2.192 329 N HA -0.144 4.596 4.740 -0.000 0.000 0.188 329 N C -0.415 174.906 175.510 -0.315 0.000 1.013 329 N CA 1.512 54.207 53.050 -0.591 0.000 0.863 329 N CB -0.666 37.495 38.487 -0.544 0.000 0.990 329 N HN 0.435 nan 8.380 nan 0.000 0.430 330 D N 1.278 121.531 120.400 -0.245 0.000 2.533 330 D HA 0.064 4.704 4.640 -0.000 0.000 0.236 330 D C -2.121 174.030 176.300 -0.249 0.000 1.137 330 D CA -0.424 53.458 54.000 -0.196 0.000 0.867 330 D CB 0.341 41.047 40.800 -0.156 0.000 1.170 330 D HN 0.152 nan 8.370 nan 0.000 0.474 331 P HA 0.125 nan 4.420 nan 0.000 0.275 331 P C 0.945 177.985 177.300 -0.434 0.000 1.266 331 P CA -0.447 62.408 63.100 -0.409 0.000 0.793 331 P CB 0.745 32.087 31.700 -0.596 0.000 1.074 332 I N -0.255 120.026 120.570 -0.481 0.000 2.052 332 I HA -0.347 3.823 4.170 -0.000 0.000 0.235 332 I C 2.344 178.364 176.117 -0.163 0.000 1.046 332 I CA 2.014 63.129 61.300 -0.309 0.000 1.308 332 I CB -1.006 36.848 38.000 -0.243 0.000 1.031 332 I HN 0.471 nan 8.210 nan 0.000 0.395 333 Y N 1.067 121.337 120.300 -0.049 0.000 2.139 333 Y HA -0.211 4.339 4.550 -0.000 0.000 0.282 333 Y C 2.399 178.363 175.900 0.106 0.000 1.179 333 Y CA 0.956 59.064 58.100 0.012 0.000 1.161 333 Y CB -2.075 36.291 38.460 -0.157 0.000 0.970 333 Y HN -0.040 nan 8.280 nan 0.000 0.511 334 V N 1.323 121.521 119.914 0.473 0.000 2.223 334 V HA -0.395 3.725 4.120 -0.000 0.000 0.246 334 V C 2.476 178.649 176.094 0.132 0.000 1.045 334 V CA 2.408 64.880 62.300 0.287 0.000 1.004 334 V CB -1.109 30.778 31.823 0.106 0.000 0.641 334 V HN 0.392 nan 8.190 nan 0.000 0.457 335 K N -0.238 120.168 120.400 0.011 0.000 1.998 335 K HA -0.277 4.043 4.320 -0.000 0.000 0.228 335 K C 2.070 178.771 176.600 0.168 0.000 1.053 335 K CA 2.383 58.682 56.287 0.021 0.000 0.988 335 K CB -0.891 31.480 32.500 -0.217 0.000 0.735 335 K HN 0.289 nan 8.250 nan 0.000 0.448 336 L N 1.137 122.476 121.223 0.193 0.000 2.059 336 L HA -0.370 3.970 4.340 -0.000 0.000 0.242 336 L C 2.651 179.610 176.870 0.150 0.000 1.107 336 L CA 1.610 56.558 54.840 0.181 0.000 0.836 336 L CB -0.753 41.411 42.059 0.175 0.000 0.933 336 L HN 0.369 nan 8.230 nan 0.000 0.446 337 E N 0.140 120.431 120.200 0.151 0.000 2.065 337 E HA -0.264 4.086 4.350 -0.000 0.000 0.201 337 E C 2.017 178.674 176.600 0.095 0.000 1.016 337 E CA 1.568 58.021 56.400 0.089 0.000 0.818 337 E CB -0.371 29.336 29.700 0.011 0.000 0.749 337 E HN 0.454 nan 8.360 nan 0.000 0.453 338 K N 0.365 120.814 120.400 0.082 0.000 2.071 338 K HA -0.211 4.109 4.320 -0.000 0.000 0.217 338 K C 2.395 179.105 176.600 0.184 0.000 1.054 338 K CA 1.615 57.955 56.287 0.088 0.000 0.937 338 K CB -0.479 32.054 32.500 0.054 0.000 0.719 338 K HN 0.102 nan 8.250 nan 0.000 0.454 339 L N 0.610 121.933 121.223 0.168 0.000 1.924 339 L HA -0.278 4.062 4.340 -0.000 0.000 0.222 339 L C 2.281 179.237 176.870 0.143 0.000 1.081 339 L CA 1.709 56.645 54.840 0.160 0.000 0.780 339 L CB -0.857 41.262 42.059 0.100 0.000 0.891 339 L HN 0.253 nan 8.230 nan 0.000 0.434 340 D N -0.242 120.224 120.400 0.110 0.000 2.585 340 D HA -0.269 4.371 4.640 -0.000 0.000 0.190 340 D C 1.719 178.083 176.300 0.108 0.000 1.057 340 D CA 1.976 56.032 54.000 0.093 0.000 0.900 340 D CB -0.003 40.850 40.800 0.088 0.000 0.900 340 D HN 0.186 nan 8.370 nan 0.000 0.463 341 I N -0.279 120.380 120.570 0.148 0.000 2.130 341 I HA -0.187 3.983 4.170 -0.000 0.000 0.234 341 I C 2.581 178.785 176.117 0.146 0.000 1.067 341 I CA 1.051 62.454 61.300 0.170 0.000 1.339 341 I CB -0.673 37.516 38.000 0.315 0.000 1.073 341 I HN 0.113 nan 8.210 nan 0.000 0.405 342 M N -0.180 119.552 119.600 0.220 0.000 2.345 342 M HA -0.360 4.120 4.480 -0.000 0.000 0.253 342 M C 2.359 178.718 176.300 0.099 0.000 1.068 342 M CA 2.150 57.552 55.300 0.170 0.000 1.069 342 M CB -1.068 31.684 32.600 0.255 0.000 1.292 342 M HN 0.218 nan 8.290 nan 0.000 0.430 343 I N -0.287 120.345 120.570 0.104 0.000 2.053 343 I HA -0.366 3.804 4.170 -0.000 0.000 0.236 343 I C 2.409 178.553 176.117 0.044 0.000 1.038 343 I CA 1.742 63.083 61.300 0.068 0.000 1.304 343 I CB -0.471 37.565 38.000 0.061 0.000 1.023 343 I HN 0.318 nan 8.210 nan 0.000 0.395 344 R N 0.327 120.852 120.500 0.041 0.000 2.438 344 R HA -0.108 4.232 4.340 -0.000 0.000 0.227 344 R C 0.967 177.268 176.300 0.001 0.000 1.153 344 R CA 0.622 56.735 56.100 0.021 0.000 1.059 344 R CB -0.166 30.146 30.300 0.021 0.000 0.831 344 R HN 0.474 nan 8.270 nan 0.000 0.487 345 L N -0.391 120.830 121.223 -0.003 0.000 3.168 345 L HA 0.336 4.676 4.340 -0.000 0.000 0.277 345 L C -0.124 176.738 176.870 -0.013 0.000 1.245 345 L CA -0.277 54.543 54.840 -0.032 0.000 1.035 345 L CB 0.773 42.772 42.059 -0.100 0.000 1.399 345 L HN 0.015 nan 8.230 nan 0.000 0.580 346 A N -0.090 122.738 122.820 0.012 0.000 2.337 346 A HA 0.800 5.120 4.320 -0.000 0.000 0.331 346 A C 0.051 177.648 177.584 0.022 0.000 1.137 346 A CA -0.083 51.967 52.037 0.022 0.000 0.807 346 A CB 1.842 20.864 19.000 0.038 0.000 1.250 346 A HN 0.222 nan 8.150 nan 0.000 0.468 347 S N 0.467 116.182 115.700 0.025 0.000 2.973 347 S HA 0.441 4.911 4.470 -0.000 0.000 0.317 347 S C 0.553 175.170 174.600 0.027 0.000 1.196 347 S CA -0.226 57.988 58.200 0.025 0.000 0.894 347 S CB 0.211 63.423 63.200 0.020 0.000 1.292 347 S HN 0.497 nan 8.310 nan 0.000 0.614 348 Q N 1.166 120.981 119.800 0.025 0.000 1.921 348 Q HA 0.148 4.488 4.340 -0.000 0.000 0.208 348 Q C 2.548 178.563 176.000 0.025 0.000 0.994 348 Q CA 2.628 58.446 55.803 0.025 0.000 0.857 348 Q CB -1.321 27.430 28.738 0.022 0.000 0.925 348 Q HN 0.917 nan 8.270 nan 0.000 0.421 349 A N 1.072 123.906 122.820 0.022 0.000 2.054 349 A HA -0.305 4.015 4.320 -0.000 0.000 0.223 349 A C 1.704 179.308 177.584 0.033 0.000 1.169 349 A CA 1.953 54.004 52.037 0.023 0.000 0.655 349 A CB -0.694 18.317 19.000 0.018 0.000 0.812 349 A HN 0.367 nan 8.150 nan 0.000 0.462 350 N N 0.008 118.729 118.700 0.035 0.000 2.131 350 N HA -0.039 4.700 4.740 -0.000 0.000 0.190 350 N C 1.769 177.311 175.510 0.053 0.000 1.055 350 N CA 1.438 54.515 53.050 0.045 0.000 0.853 350 N CB -0.606 37.905 38.487 0.040 0.000 1.035 350 N HN 0.485 nan 8.380 nan 0.000 0.440 351 I N 2.182 122.778 120.570 0.043 0.000 2.210 351 I HA -0.392 3.778 4.170 -0.000 0.000 0.249 351 I C 2.411 178.546 176.117 0.030 0.000 1.047 351 I CA 1.430 62.751 61.300 0.036 0.000 1.323 351 I CB -0.633 37.382 38.000 0.026 0.000 1.017 351 I HN 0.128 nan 8.210 nan 0.000 0.427 352 A N 0.527 123.365 122.820 0.031 0.000 1.873 352 A HA -0.358 3.962 4.320 -0.000 0.000 0.219 352 A C 2.241 179.839 177.584 0.024 0.000 1.269 352 A CA 2.604 54.655 52.037 0.024 0.000 0.671 352 A CB -0.968 18.050 19.000 0.029 0.000 0.842 352 A HN 0.597 nan 8.150 nan 0.000 0.460 353 Q N -0.909 118.924 119.800 0.055 0.000 2.046 353 Q HA -0.084 4.256 4.340 -0.000 0.000 0.200 353 Q C 2.193 178.230 176.000 0.061 0.000 0.975 353 Q CA 1.429 57.281 55.803 0.081 0.000 0.836 353 Q CB -0.545 28.301 28.738 0.181 0.000 0.896 353 Q HN 0.469 nan 8.270 nan 0.000 0.428 354 V N 1.840 121.813 119.914 0.100 0.000 2.233 354 V HA -0.357 3.763 4.120 -0.000 0.000 0.256 354 V C 2.353 178.430 176.094 -0.029 0.000 1.069 354 V CA 1.952 64.304 62.300 0.087 0.000 1.054 354 V CB -0.778 31.091 31.823 0.078 0.000 0.664 354 V HN 0.380 nan 8.190 nan 0.000 0.453 355 L N -0.621 120.578 121.223 -0.040 0.000 1.961 355 L HA -0.207 4.133 4.340 -0.000 0.000 0.210 355 L C 2.863 179.644 176.870 -0.147 0.000 1.072 355 L CA 2.323 57.113 54.840 -0.083 0.000 0.749 355 L CB -1.682 40.345 42.059 -0.054 0.000 0.889 355 L HN 0.461 nan 8.230 nan 0.000 0.432 356 A N -0.172 122.576 122.820 -0.120 0.000 1.957 356 A HA -0.308 4.012 4.320 -0.000 0.000 0.224 356 A C 2.178 179.596 177.584 -0.277 0.000 1.287 356 A CA 2.331 54.277 52.037 -0.151 0.000 0.682 356 A CB -0.611 18.323 19.000 -0.110 0.000 0.833 356 A HN 0.514 nan 8.150 nan 0.000 0.482 357 E N -0.522 119.429 120.200 -0.415 0.000 2.028 357 E HA -0.092 4.258 4.350 -0.000 0.000 0.190 357 E C 2.232 178.221 176.600 -1.017 0.000 0.984 357 E CA 0.892 56.812 56.400 -0.801 0.000 0.800 357 E CB -0.479 28.580 29.700 -1.069 0.000 0.758 357 E HN 0.659 nan 8.360 nan 0.000 0.448 358 L N 1.120 121.932 121.223 -0.684 0.000 2.010 358 L HA -0.299 4.041 4.340 -0.000 0.000 0.219 358 L C 2.747 179.460 176.870 -0.261 0.000 1.077 358 L CA 1.816 56.413 54.840 -0.404 0.000 0.773 358 L CB -0.746 41.238 42.059 -0.125 0.000 0.892 358 L HN 0.197 nan 8.230 nan 0.000 0.436 359 K N 0.490 120.764 120.400 -0.211 0.000 1.988 359 K HA -0.274 4.046 4.320 -0.000 0.000 0.221 359 K C 1.885 178.430 176.600 -0.093 0.000 1.053 359 K CA 2.307 58.523 56.287 -0.118 0.000 0.959 359 K CB -0.156 32.280 32.500 -0.107 0.000 0.728 359 K HN 0.319 nan 8.250 nan 0.000 0.447 360 E N -0.382 119.726 120.200 -0.154 0.000 2.086 360 E HA -0.267 4.083 4.350 -0.000 0.000 0.205 360 E C 2.042 178.697 176.600 0.092 0.000 1.027 360 E CA 2.242 58.604 56.400 -0.064 0.000 0.830 360 E CB -0.433 29.196 29.700 -0.117 0.000 0.751 360 E HN 0.447 nan 8.360 nan 0.000 0.456 361 Y N 0.463 120.777 120.300 0.024 0.000 1.967 361 Y HA -0.377 4.173 4.550 -0.000 0.000 0.260 361 Y C 2.746 178.697 175.900 0.085 0.000 1.181 361 Y CA 0.386 58.555 58.100 0.116 0.000 1.097 361 Y CB -0.592 37.891 38.460 0.038 0.000 0.934 361 Y HN 0.145 nan 8.280 nan 0.000 0.492 362 A N 0.076 123.006 122.820 0.184 0.000 1.985 362 A HA -0.317 4.003 4.320 -0.000 0.000 0.223 362 A C 2.124 179.788 177.584 0.133 0.000 1.189 362 A CA 2.676 54.773 52.037 0.099 0.000 0.658 362 A CB -1.476 17.554 19.000 0.050 0.000 0.820 362 A HN 0.561 nan 8.150 nan 0.000 0.464 363 T N 0.129 114.756 114.554 0.123 0.000 2.803 363 T HA -0.070 4.280 4.350 -0.000 0.000 0.269 363 T C 1.005 175.786 174.700 0.135 0.000 1.052 363 T CA 0.998 63.167 62.100 0.114 0.000 1.136 363 T CB -0.289 68.622 68.868 0.071 0.000 0.864 363 T HN 0.530 nan 8.240 nan 0.000 0.467 364 E N 0.606 120.903 120.200 0.162 0.000 2.682 364 E HA -0.040 4.310 4.350 -0.000 0.000 0.274 364 E C 1.757 178.425 176.600 0.114 0.000 1.425 364 E CA 0.470 56.956 56.400 0.144 0.000 1.263 364 E CB 0.124 29.946 29.700 0.203 0.000 0.949 364 E HN 0.259 nan 8.360 nan 0.000 0.533 365 V N -2.633 117.326 119.914 0.074 0.000 3.455 365 V HA 0.116 4.236 4.120 -0.000 0.000 0.250 365 V C 0.807 176.894 176.094 -0.013 0.000 1.230 365 V CA 0.298 62.623 62.300 0.041 0.000 1.105 365 V CB 0.221 32.067 31.823 0.038 0.000 0.850 365 V HN 0.387 nan 8.190 nan 0.000 0.461 366 D N 1.804 122.204 120.400 -0.000 0.000 2.348 366 D HA 0.129 4.769 4.640 -0.000 0.000 0.259 366 D C 1.276 177.565 176.300 -0.019 0.000 1.296 366 D CA 0.524 54.510 54.000 -0.022 0.000 0.931 366 D CB 1.453 42.223 40.800 -0.049 0.000 1.067 366 D HN 0.129 nan 8.370 nan 0.000 0.503 367 V N 4.904 124.746 119.914 -0.119 0.000 2.254 367 V HA -0.377 3.743 4.120 -0.000 0.000 0.242 367 V C 2.054 178.090 176.094 -0.097 0.000 1.024 367 V CA 2.014 64.186 62.300 -0.214 0.000 1.009 367 V CB -0.621 31.075 31.823 -0.212 0.000 0.653 367 V HN 0.593 nan 8.190 nan 0.000 0.474 368 D N -0.691 119.677 120.400 -0.054 0.000 2.569 368 D HA -0.297 4.343 4.640 -0.000 0.000 0.191 368 D C 1.752 178.071 176.300 0.032 0.000 1.042 368 D CA 2.393 56.386 54.000 -0.012 0.000 0.873 368 D CB -0.572 40.231 40.800 0.006 0.000 0.946 368 D HN 0.414 nan 8.370 nan 0.000 0.467 369 F N 1.666 121.560 119.950 -0.095 0.000 2.005 369 F HA -0.317 4.210 4.527 -0.000 0.000 0.297 369 F C 2.570 178.330 175.800 -0.067 0.000 1.175 369 F CA 1.535 59.484 58.000 -0.085 0.000 1.192 369 F CB -0.937 38.003 39.000 -0.100 0.000 0.953 369 F HN -0.140 nan 8.300 nan 0.000 0.504 370 V N 0.999 120.863 119.914 -0.084 0.000 2.277 370 V HA -0.438 3.682 4.120 -0.000 0.000 0.255 370 V C 2.491 178.471 176.094 -0.190 0.000 1.074 370 V CA 2.481 64.670 62.300 -0.185 0.000 1.058 370 V CB -1.047 30.732 31.823 -0.074 0.000 0.656 370 V HN 0.418 nan 8.190 nan 0.000 0.449 371 R N 0.367 120.788 120.500 -0.131 0.000 2.205 371 R HA -0.268 4.072 4.340 -0.000 0.000 0.221 371 R C 2.338 178.568 176.300 -0.116 0.000 1.101 371 R CA 2.337 58.379 56.100 -0.095 0.000 0.869 371 R CB -0.424 29.836 30.300 -0.066 0.000 0.815 371 R HN 0.296 nan 8.270 nan 0.000 0.434 372 K N 0.090 120.422 120.400 -0.114 0.000 2.228 372 K HA -0.178 4.141 4.320 -0.000 0.000 0.205 372 K C 1.788 178.288 176.600 -0.167 0.000 1.045 372 K CA 1.703 57.926 56.287 -0.108 0.000 0.931 372 K CB -0.477 31.981 32.500 -0.071 0.000 0.727 372 K HN 0.454 nan 8.250 nan 0.000 0.458 373 A N 0.108 122.745 122.820 -0.306 0.000 1.845 373 A HA -0.157 4.163 4.320 -0.000 0.000 0.215 373 A C 2.366 179.862 177.584 -0.147 0.000 1.195 373 A CA 1.875 53.715 52.037 -0.328 0.000 0.616 373 A CB -0.874 17.793 19.000 -0.556 0.000 0.832 373 A HN 0.060 nan 8.150 nan 0.000 0.443 374 V N 0.076 119.918 119.914 -0.119 0.000 2.255 374 V HA -0.278 3.842 4.120 -0.000 0.000 0.247 374 V C 2.638 178.691 176.094 -0.069 0.000 1.051 374 V CA 2.328 64.585 62.300 -0.071 0.000 1.018 374 V CB -0.795 30.999 31.823 -0.049 0.000 0.641 374 V HN 0.637 nan 8.190 nan 0.000 0.445 375 R N -0.293 120.165 120.500 -0.071 0.000 2.185 375 R HA -0.243 4.097 4.340 -0.000 0.000 0.247 375 R C 2.161 178.429 176.300 -0.053 0.000 1.159 375 R CA 1.580 57.645 56.100 -0.059 0.000 0.988 375 R CB -0.338 29.930 30.300 -0.054 0.000 0.871 375 R HN 0.567 nan 8.270 nan 0.000 0.458 376 A N 1.073 123.860 122.820 -0.056 0.000 1.841 376 A HA -0.130 4.190 4.320 -0.000 0.000 0.214 376 A C 2.079 179.645 177.584 -0.030 0.000 1.195 376 A CA 1.262 53.281 52.037 -0.029 0.000 0.611 376 A CB -0.524 18.467 19.000 -0.015 0.000 0.835 376 A HN 0.313 nan 8.150 nan 0.000 0.443 377 I N -0.031 120.514 120.570 -0.041 0.000 2.227 377 I HA -0.356 3.814 4.170 -0.000 0.000 0.250 377 I C 2.513 178.588 176.117 -0.071 0.000 1.087 377 I CA 1.231 62.499 61.300 -0.054 0.000 1.352 377 I CB -0.818 37.141 38.000 -0.068 0.000 1.043 377 I HN 0.470 nan 8.210 nan 0.000 0.425 378 G N 0.312 109.068 108.800 -0.075 0.000 2.736 378 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.214 378 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.214 378 G C 1.580 176.435 174.900 -0.074 0.000 1.327 378 G CA 0.991 46.037 45.100 -0.090 0.000 0.818 378 G HN 0.242 nan 8.290 nan 0.000 0.611 379 R N -0.547 119.924 120.500 -0.048 0.000 2.178 379 R HA -0.235 4.105 4.340 -0.000 0.000 0.257 379 R C 2.651 178.938 176.300 -0.022 0.000 1.163 379 R CA 1.902 57.986 56.100 -0.028 0.000 0.981 379 R CB -0.971 29.324 30.300 -0.009 0.000 0.878 379 R HN 0.491 nan 8.270 nan 0.000 0.454 380 C N -0.414 118.873 119.300 -0.022 0.000 2.382 380 C HA -0.218 4.242 4.460 -0.000 0.000 0.281 380 C C 2.804 177.781 174.990 -0.022 0.000 1.191 380 C CA 1.666 60.676 59.018 -0.012 0.000 1.772 380 C CB -1.402 26.330 27.740 -0.014 0.000 2.013 380 C HN 0.678 nan 8.230 nan 0.000 0.437 381 A N 0.481 123.265 122.820 -0.060 0.000 1.958 381 A HA -0.166 4.154 4.320 -0.000 0.000 0.221 381 A C 2.150 179.704 177.584 -0.050 0.000 1.178 381 A CA 2.355 54.343 52.037 -0.082 0.000 0.642 381 A CB -0.869 18.019 19.000 -0.187 0.000 0.816 381 A HN 0.771 nan 8.150 nan 0.000 0.453 382 I N -0.819 119.717 120.570 -0.057 0.000 2.099 382 I HA -0.314 3.856 4.170 -0.000 0.000 0.239 382 I C 2.599 178.759 176.117 0.072 0.000 1.066 382 I CA 2.141 63.447 61.300 0.009 0.000 1.324 382 I CB -0.378 37.622 38.000 -0.001 0.000 1.037 382 I HN 0.395 nan 8.210 nan 0.000 0.401 383 K N 0.736 121.162 120.400 0.044 0.000 2.097 383 K HA -0.111 4.209 4.320 -0.000 0.000 0.206 383 K C 0.538 177.175 176.600 0.062 0.000 1.049 383 K CA 1.005 57.322 56.287 0.050 0.000 0.933 383 K CB 0.181 32.701 32.500 0.034 0.000 0.717 383 K HN 0.132 nan 8.250 nan 0.000 0.442 384 V N 2.784 122.735 119.914 0.062 0.000 2.192 384 V HA 0.077 4.197 4.120 -0.000 0.000 0.264 384 V C 0.329 176.490 176.094 0.111 0.000 1.155 384 V CA -0.368 61.973 62.300 0.069 0.000 1.005 384 V CB 0.692 32.543 31.823 0.048 0.000 1.201 384 V HN 0.315 nan 8.190 nan 0.000 0.468 385 E N 1.676 121.971 120.200 0.158 0.000 2.108 385 E HA -0.365 3.985 4.350 -0.000 0.000 0.203 385 E C 1.681 178.401 176.600 0.200 0.000 1.022 385 E CA 1.507 58.061 56.400 0.257 0.000 0.823 385 E CB -0.008 29.764 29.700 0.120 0.000 0.744 385 E HN 0.721 nan 8.360 nan 0.000 0.456 386 Q N 0.927 120.793 119.800 0.110 0.000 2.585 386 Q HA -0.121 4.219 4.340 -0.000 0.000 0.219 386 Q C 0.729 176.781 176.000 0.087 0.000 0.984 386 Q CA 1.203 57.055 55.803 0.082 0.000 0.915 386 Q CB -0.003 28.766 28.738 0.053 0.000 0.967 386 Q HN 0.290 nan 8.270 nan 0.000 0.530 387 S N -3.539 112.223 115.700 0.103 0.000 2.937 387 S HA 0.426 4.896 4.470 -0.000 0.000 0.252 387 S C 1.078 175.718 174.600 0.066 0.000 1.022 387 S CA -0.001 58.242 58.200 0.072 0.000 1.079 387 S CB 0.780 64.006 63.200 0.044 0.000 1.035 387 S HN 0.335 nan 8.310 nan 0.000 0.594 388 A N 2.917 125.816 122.820 0.131 0.000 1.862 388 A HA -0.176 4.144 4.320 -0.000 0.000 0.214 388 A C 1.946 179.530 177.584 -0.000 0.000 1.228 388 A CA 2.255 54.331 52.037 0.065 0.000 0.665 388 A CB -1.361 17.824 19.000 0.309 0.000 0.845 388 A HN 0.520 nan 8.150 nan 0.000 0.459 389 E N -0.550 119.737 120.200 0.145 0.000 2.110 389 E HA -0.300 4.050 4.350 -0.000 0.000 0.225 389 E C 1.942 178.552 176.600 0.017 0.000 1.063 389 E CA 2.146 58.627 56.400 0.135 0.000 0.906 389 E CB -0.435 29.372 29.700 0.178 0.000 0.795 389 E HN 0.582 nan 8.360 nan 0.000 0.479 390 R N -0.206 120.312 120.500 0.031 0.000 2.259 390 R HA -0.328 4.012 4.340 -0.000 0.000 0.247 390 R C 2.464 178.745 176.300 -0.032 0.000 1.114 390 R CA 2.168 58.271 56.100 0.005 0.000 0.926 390 R CB -1.592 28.715 30.300 0.012 0.000 0.937 390 R HN 0.331 nan 8.270 nan 0.000 0.434 391 C N -0.162 119.102 119.300 -0.060 0.000 2.504 391 C HA -0.130 4.330 4.460 -0.000 0.000 0.285 391 C C 2.736 177.654 174.990 -0.121 0.000 1.225 391 C CA 0.849 59.809 59.018 -0.096 0.000 1.755 391 C CB -1.055 26.605 27.740 -0.134 0.000 2.065 391 C HN 0.426 nan 8.230 nan 0.000 0.452 392 V N 2.210 122.009 119.914 -0.192 0.000 2.240 392 V HA -0.380 3.740 4.120 -0.000 0.000 0.257 392 V C 2.699 178.726 176.094 -0.112 0.000 1.067 392 V CA 3.182 65.349 62.300 -0.223 0.000 1.067 392 V CB -1.622 30.007 31.823 -0.322 0.000 0.683 392 V HN 0.832 nan 8.190 nan 0.000 0.461 393 S N 1.080 116.744 115.700 -0.060 0.000 2.406 393 S HA -0.403 4.067 4.470 -0.000 0.000 0.242 393 S C 1.976 176.557 174.600 -0.032 0.000 1.079 393 S CA 3.344 61.531 58.200 -0.022 0.000 1.133 393 S CB -1.414 61.784 63.200 -0.004 0.000 1.005 393 S HN 0.905 nan 8.310 nan 0.000 0.443 394 T N 0.651 115.178 114.554 -0.045 0.000 2.812 394 T HA 0.178 4.528 4.350 -0.000 0.000 0.264 394 T C 1.960 176.632 174.700 -0.047 0.000 1.042 394 T CA 0.993 63.067 62.100 -0.043 0.000 1.140 394 T CB -0.800 68.038 68.868 -0.051 0.000 0.870 394 T HN 0.384 nan 8.240 nan 0.000 0.445 395 L N 0.486 121.670 121.223 -0.065 0.000 1.951 395 L HA -0.119 4.221 4.340 -0.000 0.000 0.222 395 L C 2.682 179.527 176.870 -0.042 0.000 1.078 395 L CA 1.916 56.718 54.840 -0.064 0.000 0.778 395 L CB -0.996 41.004 42.059 -0.098 0.000 0.893 395 L HN 0.279 nan 8.230 nan 0.000 0.436 396 L N 0.522 121.718 121.223 -0.044 0.000 1.991 396 L HA -0.342 3.998 4.340 -0.000 0.000 0.221 396 L C 2.054 178.916 176.870 -0.013 0.000 1.079 396 L CA 2.500 57.328 54.840 -0.019 0.000 0.778 396 L CB -0.968 41.086 42.059 -0.009 0.000 0.893 396 L HN 0.275 nan 8.230 nan 0.000 0.437 397 D N -1.062 119.329 120.400 -0.016 0.000 2.218 397 D HA -0.259 4.381 4.640 -0.000 0.000 0.194 397 D C 2.106 178.398 176.300 -0.012 0.000 1.007 397 D CA 2.142 56.134 54.000 -0.013 0.000 0.879 397 D CB -0.186 40.603 40.800 -0.018 0.000 0.918 397 D HN 0.508 nan 8.370 nan 0.000 0.449 398 L N -0.304 120.911 121.223 -0.014 0.000 2.068 398 L HA -0.043 4.297 4.340 -0.000 0.000 0.204 398 L C 2.531 179.399 176.870 -0.005 0.000 1.076 398 L CA 0.595 55.431 54.840 -0.006 0.000 0.753 398 L CB -0.556 41.501 42.059 -0.002 0.000 0.910 398 L HN 0.104 nan 8.230 nan 0.000 0.439 399 I N -0.079 120.488 120.570 -0.005 0.000 2.315 399 I HA -0.296 3.874 4.170 -0.000 0.000 0.251 399 I C 2.455 178.567 176.117 -0.007 0.000 1.125 399 I CA 1.031 62.329 61.300 -0.004 0.000 1.392 399 I CB -0.496 37.505 38.000 0.001 0.000 1.065 399 I HN 0.386 nan 8.210 nan 0.000 0.424 400 Q N 0.445 120.241 119.800 -0.006 0.000 2.515 400 Q HA -0.132 4.208 4.340 -0.000 0.000 0.215 400 Q C 2.010 178.003 176.000 -0.012 0.000 0.983 400 Q CA 1.380 57.179 55.803 -0.006 0.000 0.905 400 Q CB -0.618 28.118 28.738 -0.003 0.000 0.961 400 Q HN 0.569 nan 8.270 nan 0.000 0.503 401 T N -0.097 114.447 114.554 -0.016 0.000 3.067 401 T HA 0.025 4.375 4.350 -0.000 0.000 0.261 401 T C 0.536 175.212 174.700 -0.039 0.000 1.110 401 T CA 0.073 62.159 62.100 -0.023 0.000 1.113 401 T CB 0.146 69.003 68.868 -0.019 0.000 0.917 401 T HN 0.320 nan 8.240 nan 0.000 0.499 402 K N 0.334 120.709 120.400 -0.041 0.000 3.209 402 K HA -0.126 4.194 4.320 -0.000 0.000 0.289 402 K C -0.481 176.059 176.600 -0.100 0.000 1.191 402 K CA 0.034 56.288 56.287 -0.055 0.000 0.851 402 K CB -2.334 30.141 32.500 -0.043 0.000 1.242 402 K HN 0.272 nan 8.250 nan 0.000 0.480 403 V N 2.561 122.399 119.914 -0.126 0.000 2.324 403 V HA -0.071 4.049 4.120 -0.000 0.000 0.244 403 V C 1.884 177.766 176.094 -0.354 0.000 1.144 403 V CA 0.311 62.456 62.300 -0.258 0.000 1.158 403 V CB 0.358 32.044 31.823 -0.228 0.000 1.254 403 V HN 0.398 nan 8.190 nan 0.000 0.492 404 N N 4.981 123.494 118.700 -0.311 0.000 1.653 404 N HA -0.364 4.376 4.740 -0.000 0.000 0.129 404 N C 1.822 177.240 175.510 -0.152 0.000 0.559 404 N CA 3.195 56.111 53.050 -0.224 0.000 0.804 404 N CB -0.422 37.944 38.487 -0.202 0.000 0.760 404 N HN 0.756 nan 8.380 nan 0.000 1.300 405 Y N 0.516 120.823 120.300 0.011 0.000 2.069 405 Y HA -0.144 4.406 4.550 -0.000 0.000 0.278 405 Y C 2.821 178.724 175.900 0.006 0.000 1.175 405 Y CA 1.540 59.646 58.100 0.010 0.000 1.134 405 Y CB -1.422 37.045 38.460 0.012 0.000 0.965 405 Y HN 0.014 nan 8.280 nan 0.000 0.498 406 V N 1.011 121.216 119.914 0.483 0.000 2.222 406 V HA -0.388 3.732 4.120 -0.000 0.000 0.252 406 V C 2.597 178.761 176.094 0.116 0.000 1.060 406 V CA 2.409 64.874 62.300 0.275 0.000 1.027 406 V CB -1.329 30.599 31.823 0.174 0.000 0.644 406 V HN 0.479 nan 8.190 nan 0.000 0.448 407 V N 0.797 120.742 119.914 0.052 0.000 2.238 407 V HA -0.478 3.642 4.120 -0.000 0.000 0.253 407 V C 2.529 178.648 176.094 0.042 0.000 1.050 407 V CA 3.152 65.469 62.300 0.027 0.000 1.045 407 V CB -1.493 30.332 31.823 0.004 0.000 0.670 407 V HN 0.855 nan 8.190 nan 0.000 0.469 408 Q N -0.165 119.665 119.800 0.051 0.000 1.954 408 Q HA -0.341 3.999 4.340 -0.000 0.000 0.215 408 Q C 2.097 178.122 176.000 0.042 0.000 1.026 408 Q CA 2.239 58.073 55.803 0.051 0.000 0.881 408 Q CB -0.823 27.951 28.738 0.060 0.000 0.977 408 Q HN 0.631 nan 8.270 nan 0.000 0.416 409 E N 0.994 121.222 120.200 0.048 0.000 2.068 409 E HA -0.330 4.020 4.350 -0.000 0.000 0.207 409 E C 2.119 178.724 176.600 0.008 0.000 1.032 409 E CA 1.548 57.961 56.400 0.022 0.000 0.839 409 E CB -0.631 29.078 29.700 0.017 0.000 0.758 409 E HN 0.498 nan 8.360 nan 0.000 0.457 410 A N 1.294 124.121 122.820 0.012 0.000 1.879 410 A HA -0.310 4.010 4.320 -0.000 0.000 0.222 410 A C 2.221 179.799 177.584 -0.011 0.000 1.368 410 A CA 2.563 54.596 52.037 -0.007 0.000 0.707 410 A CB -1.209 17.791 19.000 0.001 0.000 0.846 410 A HN 0.232 nan 8.150 nan 0.000 0.468 411 I N -0.628 119.948 120.570 0.009 0.000 2.151 411 I HA -0.336 3.834 4.170 -0.000 0.000 0.236 411 I C 2.467 178.594 176.117 0.018 0.000 1.000 411 I CA 1.937 63.251 61.300 0.023 0.000 1.285 411 I CB -1.136 36.889 38.000 0.041 0.000 0.994 411 I HN 0.226 nan 8.210 nan 0.000 0.396 412 V N 0.059 119.981 119.914 0.015 0.000 2.243 412 V HA -0.424 3.696 4.120 -0.000 0.000 0.258 412 V C 2.429 178.514 176.094 -0.016 0.000 1.073 412 V CA 2.450 64.751 62.300 0.002 0.000 1.069 412 V CB -0.982 30.836 31.823 -0.008 0.000 0.681 412 V HN 0.340 nan 8.190 nan 0.000 0.457 413 V N -0.456 119.437 119.914 -0.035 0.000 2.214 413 V HA -0.342 3.778 4.120 -0.000 0.000 0.247 413 V C 2.125 178.166 176.094 -0.088 0.000 1.051 413 V CA 2.708 64.968 62.300 -0.067 0.000 1.003 413 V CB -0.566 31.208 31.823 -0.081 0.000 0.635 413 V HN 0.496 nan 8.190 nan 0.000 0.447 414 I N -0.138 120.372 120.570 -0.100 0.000 2.161 414 I HA -0.453 3.717 4.170 -0.000 0.000 0.246 414 I C 2.540 178.624 176.117 -0.055 0.000 1.048 414 I CA 2.537 63.743 61.300 -0.156 0.000 1.314 414 I CB -0.656 37.292 38.000 -0.087 0.000 1.014 414 I HN 0.448 nan 8.210 nan 0.000 0.418 415 K N 1.326 121.775 120.400 0.081 0.000 1.981 415 K HA -0.308 4.012 4.320 -0.000 0.000 0.228 415 K C 1.751 178.425 176.600 0.123 0.000 1.050 415 K CA 2.564 58.970 56.287 0.199 0.000 1.001 415 K CB -0.437 32.132 32.500 0.116 0.000 0.738 415 K HN 0.273 nan 8.250 nan 0.000 0.447 416 D N 0.822 121.222 120.400 -0.000 0.000 2.200 416 D HA -0.230 4.410 4.640 -0.000 0.000 0.192 416 D C 2.063 178.336 176.300 -0.045 0.000 1.008 416 D CA 1.529 55.506 54.000 -0.039 0.000 0.872 416 D CB -0.238 40.521 40.800 -0.068 0.000 0.923 416 D HN 0.292 nan 8.370 nan 0.000 0.447 417 I N 0.625 121.110 120.570 -0.142 0.000 2.091 417 I HA -0.273 3.897 4.170 -0.000 0.000 0.239 417 I C 2.437 178.454 176.117 -0.167 0.000 1.061 417 I CA 1.097 62.214 61.300 -0.306 0.000 1.317 417 I CB -1.237 36.440 38.000 -0.539 0.000 1.031 417 I HN -0.058 nan 8.210 nan 0.000 0.401 418 F N 1.341 121.282 119.950 -0.014 0.000 2.154 418 F HA -0.226 4.301 4.527 -0.000 0.000 0.301 418 F C 2.662 178.594 175.800 0.219 0.000 1.087 418 F CA 1.316 59.396 58.000 0.133 0.000 1.274 418 F CB -0.687 38.363 39.000 0.084 0.000 1.009 418 F HN 0.093 nan 8.300 nan 0.000 0.485 419 R N 0.362 121.075 120.500 0.354 0.000 2.103 419 R HA -0.178 4.162 4.340 -0.000 0.000 0.242 419 R C 2.154 178.618 176.300 0.273 0.000 1.142 419 R CA 1.427 57.693 56.100 0.277 0.000 0.960 419 R CB -0.682 29.684 30.300 0.110 0.000 0.858 419 R HN 0.330 nan 8.270 nan 0.000 0.439 420 K N -0.634 119.920 120.400 0.257 0.000 2.137 420 K HA -0.015 4.305 4.320 -0.000 0.000 0.202 420 K C 0.488 177.500 176.600 0.686 0.000 1.052 420 K CA 0.805 57.330 56.287 0.397 0.000 0.961 420 K CB 0.306 33.041 32.500 0.392 0.000 0.741 420 K HN 0.276 nan 8.250 nan 0.000 0.452 421 Y N 1.326 121.751 120.300 0.207 0.000 2.635 421 Y HA 0.257 4.807 4.550 -0.000 0.000 0.373 421 Y C -2.369 173.751 175.900 0.367 0.000 1.000 421 Y CA -2.811 55.445 58.100 0.260 0.000 1.219 421 Y CB 0.487 39.139 38.460 0.319 0.000 1.294 421 Y HN -0.020 nan 8.280 nan 0.000 0.612 422 P HA -0.148 nan 4.420 nan 0.000 0.270 422 P C 0.018 177.536 177.300 0.364 0.000 1.216 422 P CA 0.447 63.829 63.100 0.470 0.000 0.788 422 P CB 0.446 32.336 31.700 0.316 0.000 0.883 423 N N -0.360 118.526 118.700 0.311 0.000 2.696 423 N HA -0.249 4.491 4.740 -0.000 0.000 0.254 423 N C 0.626 176.207 175.510 0.118 0.000 0.988 423 N CA 1.098 54.225 53.050 0.128 0.000 0.775 423 N CB -0.750 37.731 38.487 -0.008 0.000 0.933 423 N HN 0.581 nan 8.380 nan 0.000 0.539 424 K N -0.990 119.518 120.400 0.181 0.000 2.474 424 K HA 0.094 4.414 4.320 -0.000 0.000 0.204 424 K C -0.623 175.630 176.600 -0.578 0.000 1.220 424 K CA 0.294 56.448 56.287 -0.221 0.000 0.966 424 K CB 0.638 32.971 32.500 -0.278 0.000 1.049 424 K HN 0.128 nan 8.250 nan 0.000 0.554 425 Y N 0.528 121.077 120.300 0.415 0.000 2.361 425 Y HA 0.331 4.881 4.550 -0.000 0.000 0.337 425 Y C 0.457 176.682 175.900 0.542 0.000 0.965 425 Y CA -0.813 57.526 58.100 0.399 0.000 1.091 425 Y CB 1.982 40.560 38.460 0.197 0.000 1.182 425 Y HN -0.079 nan 8.280 nan 0.000 0.450 426 E N 0.572 121.014 120.200 0.404 0.000 3.387 426 E HA -0.005 4.345 4.350 -0.000 0.000 0.200 426 E C 1.732 178.470 176.600 0.229 0.000 1.248 426 E CA 0.821 57.399 56.400 0.295 0.000 1.240 426 E CB -0.257 29.541 29.700 0.163 0.000 2.409 426 E HN 0.577 nan 8.360 nan 0.000 0.533 427 S N 2.643 118.435 115.700 0.155 0.000 2.502 427 S HA -0.308 4.162 4.470 -0.000 0.000 0.288 427 S C 2.346 177.023 174.600 0.130 0.000 1.186 427 S CA 2.810 61.079 58.200 0.115 0.000 1.182 427 S CB -1.957 61.301 63.200 0.096 0.000 1.135 427 S HN 0.258 nan 8.310 nan 0.000 0.442 428 V N 0.366 120.388 119.914 0.179 0.000 2.527 428 V HA -0.216 3.904 4.120 -0.000 0.000 0.255 428 V C 2.171 178.359 176.094 0.156 0.000 1.081 428 V CA 1.829 64.232 62.300 0.172 0.000 1.092 428 V CB -1.375 30.584 31.823 0.226 0.000 0.673 428 V HN 0.385 nan 8.190 nan 0.000 0.470 429 I N 1.810 122.477 120.570 0.163 0.000 2.039 429 I HA -0.221 3.949 4.170 -0.000 0.000 0.233 429 I C 2.895 179.049 176.117 0.062 0.000 1.040 429 I CA 2.340 63.697 61.300 0.094 0.000 1.308 429 I CB -1.333 36.702 38.000 0.059 0.000 1.035 429 I HN 0.301 nan 8.210 nan 0.000 0.392 430 A N -0.373 122.479 122.820 0.053 0.000 1.869 430 A HA -0.320 4.000 4.320 -0.000 0.000 0.218 430 A C 2.378 179.986 177.584 0.039 0.000 1.203 430 A CA 3.131 55.191 52.037 0.038 0.000 0.638 430 A CB -1.626 17.394 19.000 0.033 0.000 0.831 430 A HN 0.514 nan 8.150 nan 0.000 0.450 431 T N 0.298 114.879 114.554 0.046 0.000 2.848 431 T HA -0.169 4.181 4.350 -0.000 0.000 0.269 431 T C 1.667 176.391 174.700 0.040 0.000 1.081 431 T CA 1.284 63.409 62.100 0.040 0.000 1.125 431 T CB -0.320 68.575 68.868 0.046 0.000 0.848 431 T HN 0.286 nan 8.240 nan 0.000 0.503 432 L N 1.415 122.668 121.223 0.051 0.000 1.960 432 L HA -0.057 4.283 4.340 -0.000 0.000 0.209 432 L C 2.705 179.599 176.870 0.040 0.000 1.090 432 L CA 1.765 56.635 54.840 0.051 0.000 0.759 432 L CB -1.584 40.515 42.059 0.067 0.000 0.892 432 L HN 0.412 nan 8.230 nan 0.000 0.436 433 C N 0.024 119.347 119.300 0.038 0.000 2.366 433 C HA -0.271 4.189 4.460 -0.000 0.000 0.271 433 C C 2.363 177.371 174.990 0.030 0.000 1.152 433 C CA 0.903 59.943 59.018 0.038 0.000 1.809 433 C CB -1.510 26.249 27.740 0.032 0.000 2.107 433 C HN 0.662 nan 8.230 nan 0.000 0.455 434 E N 1.725 121.939 120.200 0.023 0.000 2.627 434 E HA -0.256 4.094 4.350 -0.000 0.000 0.249 434 E C 0.393 177.000 176.600 0.011 0.000 1.012 434 E CA 2.050 58.458 56.400 0.014 0.000 1.272 434 E CB -0.605 29.103 29.700 0.014 0.000 1.200 434 E HN 0.752 nan 8.360 nan 0.000 0.495 435 N N 1.101 119.809 118.700 0.014 0.000 2.448 435 N HA -0.002 4.738 4.740 -0.000 0.000 0.250 435 N C 0.469 175.994 175.510 0.024 0.000 1.136 435 N CA 0.041 53.098 53.050 0.011 0.000 0.953 435 N CB 1.135 39.626 38.487 0.007 0.000 1.251 435 N HN 0.227 nan 8.380 nan 0.000 0.502 436 L N 1.468 122.704 121.223 0.021 0.000 2.467 436 L HA 0.129 4.469 4.340 -0.000 0.000 0.213 436 L C 0.983 177.872 176.870 0.032 0.000 1.053 436 L CA 1.037 55.903 54.840 0.042 0.000 0.847 436 L CB -0.004 42.075 42.059 0.032 0.000 1.075 436 L HN 0.186 nan 8.230 nan 0.000 0.479 437 D N 1.140 121.539 120.400 -0.001 0.000 2.081 437 D HA -0.171 4.469 4.640 -0.000 0.000 0.194 437 D C 2.038 178.343 176.300 0.009 0.000 0.986 437 D CA 2.011 56.004 54.000 -0.012 0.000 0.837 437 D CB -0.351 40.434 40.800 -0.025 0.000 0.985 437 D HN 0.392 nan 8.370 nan 0.000 0.448 438 S N 1.089 116.791 115.700 0.003 0.000 2.490 438 S HA -0.180 4.290 4.470 -0.000 0.000 0.264 438 S C 0.227 174.840 174.600 0.022 0.000 0.992 438 S CA 0.894 59.095 58.200 0.003 0.000 0.970 438 S CB -0.563 62.629 63.200 -0.013 0.000 0.739 438 S HN 0.212 nan 8.310 nan 0.000 0.518 439 D N 2.013 122.439 120.400 0.043 0.000 2.428 439 D HA 0.286 4.926 4.640 -0.000 0.000 0.221 439 D C -0.477 175.868 176.300 0.076 0.000 1.123 439 D CA -0.317 53.720 54.000 0.062 0.000 0.869 439 D CB 0.920 41.767 40.800 0.079 0.000 1.032 439 D HN 0.185 nan 8.370 nan 0.000 0.506 440 D N 1.239 121.678 120.400 0.065 0.000 2.501 440 D HA 0.047 4.687 4.640 -0.000 0.000 0.224 440 D C 0.382 176.721 176.300 0.064 0.000 1.202 440 D CA -0.051 53.990 54.000 0.068 0.000 0.829 440 D CB 1.493 42.325 40.800 0.053 0.000 1.023 440 D HN 0.429 nan 8.370 nan 0.000 0.499 441 E N 0.548 120.784 120.200 0.060 0.000 2.239 441 E HA 0.229 4.579 4.350 -0.000 0.000 0.261 441 E C -1.801 174.824 176.600 0.042 0.000 1.016 441 E CA -2.094 54.334 56.400 0.048 0.000 0.882 441 E CB 2.407 32.132 29.700 0.042 0.000 1.190 441 E HN -0.237 nan 8.360 nan 0.000 0.415 442 P HA -0.195 nan 4.420 nan 0.000 0.197 442 P C 0.760 178.063 177.300 0.005 0.000 1.076 442 P CA 1.366 64.477 63.100 0.018 0.000 0.876 442 P CB -0.040 31.669 31.700 0.014 0.000 0.705 443 E N 0.129 120.328 120.200 -0.003 0.000 2.200 443 E HA -0.333 4.017 4.350 -0.000 0.000 0.211 443 E C 1.825 178.422 176.600 -0.005 0.000 1.048 443 E CA 1.806 58.198 56.400 -0.014 0.000 0.851 443 E CB -1.280 28.409 29.700 -0.019 0.000 0.747 443 E HN 0.141 nan 8.360 nan 0.000 0.462 444 A N 1.966 124.793 122.820 0.011 0.000 1.837 444 A HA -0.236 4.084 4.320 -0.000 0.000 0.216 444 A C 2.312 179.912 177.584 0.025 0.000 1.210 444 A CA 1.973 54.025 52.037 0.024 0.000 0.632 444 A CB -0.748 18.274 19.000 0.037 0.000 0.843 444 A HN 0.221 nan 8.150 nan 0.000 0.448 445 R N -0.863 119.655 120.500 0.030 0.000 2.148 445 R HA -0.214 4.126 4.340 -0.000 0.000 0.230 445 R C 2.481 178.749 176.300 -0.053 0.000 1.120 445 R CA 1.532 57.642 56.100 0.018 0.000 0.902 445 R CB -0.988 29.334 30.300 0.037 0.000 0.839 445 R HN 0.568 nan 8.270 nan 0.000 0.431 446 A N 1.011 123.790 122.820 -0.068 0.000 1.997 446 A HA -0.374 3.946 4.320 -0.000 0.000 0.237 446 A C 2.294 179.868 177.584 -0.017 0.000 1.807 446 A CA 3.107 55.100 52.037 -0.074 0.000 0.863 446 A CB -1.608 17.364 19.000 -0.048 0.000 0.821 446 A HN 0.610 nan 8.150 nan 0.000 0.500 447 A N -1.577 121.252 122.820 0.014 0.000 1.887 447 A HA -0.378 3.942 4.320 -0.000 0.000 0.225 447 A C 2.206 179.876 177.584 0.145 0.000 1.464 447 A CA 4.150 56.236 52.037 0.082 0.000 0.717 447 A CB -0.994 18.032 19.000 0.045 0.000 0.848 447 A HN 1.385 nan 8.150 nan 0.000 0.477 448 M N 0.091 119.735 119.600 0.072 0.000 2.405 448 M HA -0.233 4.247 4.480 -0.000 0.000 0.256 448 M C 1.873 178.180 176.300 0.013 0.000 1.067 448 M CA 2.284 57.615 55.300 0.052 0.000 1.073 448 M CB -0.948 31.679 32.600 0.046 0.000 1.273 448 M HN 0.500 nan 8.290 nan 0.000 0.443 449 I N -1.423 119.108 120.570 -0.065 0.000 2.043 449 I HA -0.379 3.791 4.170 -0.000 0.000 0.231 449 I C 2.196 178.284 176.117 -0.049 0.000 1.024 449 I CA 2.372 63.588 61.300 -0.140 0.000 1.309 449 I CB -1.056 36.765 38.000 -0.297 0.000 1.030 449 I HN 0.724 nan 8.210 nan 0.000 0.389 450 W N 1.853 123.068 121.300 -0.142 0.000 2.256 450 W HA -0.313 4.347 4.660 -0.000 0.000 0.311 450 W C 2.256 178.719 176.519 -0.093 0.000 1.258 450 W CA 1.967 59.252 57.345 -0.100 0.000 1.269 450 W CB -0.433 28.980 29.460 -0.077 0.000 1.134 450 W HN 0.135 nan 8.180 nan 0.000 0.518 451 I N -0.657 119.818 120.570 -0.158 0.000 2.076 451 I HA -0.376 3.794 4.170 -0.000 0.000 0.237 451 I C 2.541 178.343 176.117 -0.526 0.000 1.059 451 I CA 1.890 62.872 61.300 -0.529 0.000 1.317 451 I CB -1.503 36.370 38.000 -0.212 0.000 1.037 451 I HN -0.008 nan 8.210 nan 0.000 0.398 452 V N 1.308 121.057 119.914 -0.274 0.000 2.233 452 V HA -0.337 3.783 4.120 -0.000 0.000 0.252 452 V C 2.315 178.274 176.094 -0.225 0.000 1.063 452 V CA 2.606 64.793 62.300 -0.189 0.000 1.032 452 V CB -1.273 30.493 31.823 -0.095 0.000 0.645 452 V HN 0.628 nan 8.190 nan 0.000 0.446 453 G N -1.115 107.524 108.800 -0.269 0.000 2.812 453 G HA2 -0.456 3.504 3.960 -0.000 0.000 0.218 453 G HA3 -0.456 3.504 3.960 -0.000 0.000 0.218 453 G C 1.262 175.997 174.900 -0.275 0.000 1.287 453 G CA 1.478 46.425 45.100 -0.255 0.000 0.796 453 G HN 0.624 nan 8.290 nan 0.000 0.649 454 E N 0.008 119.915 120.200 -0.488 0.000 2.094 454 E HA -0.228 4.122 4.350 -0.000 0.000 0.232 454 E C 1.888 178.466 176.600 -0.037 0.000 1.055 454 E CA 1.575 57.794 56.400 -0.301 0.000 0.923 454 E CB -0.689 28.701 29.700 -0.516 0.000 0.815 454 E HN 0.468 nan 8.360 nan 0.000 0.502 455 Y N 0.459 120.533 120.300 -0.377 0.000 2.544 455 Y HA 0.253 4.803 4.550 -0.000 0.000 0.356 455 Y C 1.492 177.277 175.900 -0.192 0.000 1.173 455 Y CA 0.082 58.022 58.100 -0.266 0.000 1.318 455 Y CB -1.428 36.842 38.460 -0.317 0.000 1.207 455 Y HN 0.221 nan 8.280 nan 0.000 0.490 456 A N 0.501 123.295 122.820 -0.044 0.000 1.892 456 A HA -0.335 3.985 4.320 -0.000 0.000 0.218 456 A C 2.248 179.805 177.584 -0.046 0.000 1.188 456 A CA 1.964 53.970 52.037 -0.051 0.000 0.631 456 A CB -0.578 18.388 19.000 -0.058 0.000 0.822 456 A HN 0.654 nan 8.150 nan 0.000 0.447 457 E N -0.737 119.426 120.200 -0.063 0.000 2.170 457 E HA -0.381 3.969 4.350 -0.000 0.000 0.229 457 E C 2.155 178.727 176.600 -0.046 0.000 1.074 457 E CA 1.738 58.100 56.400 -0.064 0.000 0.930 457 E CB -0.585 29.061 29.700 -0.090 0.000 0.806 457 E HN 0.412 nan 8.360 nan 0.000 0.478 458 R N 1.653 122.129 120.500 -0.040 0.000 2.127 458 R HA -0.103 4.237 4.340 -0.000 0.000 0.228 458 R C 1.169 177.462 176.300 -0.011 0.000 1.125 458 R CA 1.759 57.848 56.100 -0.019 0.000 0.904 458 R CB -1.248 29.053 30.300 0.001 0.000 0.831 458 R HN 0.435 nan 8.270 nan 0.000 0.431 459 S N 1.236 116.933 115.700 -0.006 0.000 2.515 459 S HA -0.004 4.466 4.470 -0.000 0.000 0.285 459 S C 0.668 175.262 174.600 -0.010 0.000 1.265 459 S CA -0.462 57.735 58.200 -0.005 0.000 1.079 459 S CB 0.719 63.916 63.200 -0.005 0.000 0.877 459 S HN 0.211 nan 8.310 nan 0.000 0.493 460 D N 3.618 124.014 120.400 -0.008 0.000 2.084 460 D HA -0.126 4.514 4.640 -0.000 0.000 0.199 460 D C 1.656 177.952 176.300 -0.007 0.000 0.981 460 D CA 1.005 54.999 54.000 -0.010 0.000 0.841 460 D CB -0.465 40.330 40.800 -0.009 0.000 0.997 460 D HN 0.688 nan 8.370 nan 0.000 0.454 461 N N 1.551 120.249 118.700 -0.003 0.000 2.242 461 N HA -0.265 4.475 4.740 -0.000 0.000 0.193 461 N C 1.802 177.314 175.510 0.004 0.000 1.000 461 N CA 1.134 54.184 53.050 -0.000 0.000 0.885 461 N CB -0.204 38.284 38.487 0.002 0.000 0.988 461 N HN 0.143 nan 8.380 nan 0.000 0.444 462 A N 1.974 124.795 122.820 0.000 0.000 1.698 462 A HA -0.387 3.933 4.320 -0.000 0.000 0.304 462 A C 1.594 179.186 177.584 0.012 0.000 3.354 462 A CA 2.654 54.691 52.037 0.000 0.000 0.884 462 A CB -1.317 17.676 19.000 -0.011 0.000 0.798 462 A HN 0.419 nan 8.150 nan 0.000 0.543 463 D N -0.335 120.072 120.400 0.010 0.000 2.369 463 D HA -0.270 4.370 4.640 -0.000 0.000 0.244 463 D C 1.761 178.076 176.300 0.025 0.000 1.265 463 D CA 1.890 55.901 54.000 0.018 0.000 1.065 463 D CB -1.212 39.596 40.800 0.013 0.000 1.689 463 D HN 0.886 nan 8.370 nan 0.000 0.583 464 E N 0.868 121.077 120.200 0.014 0.000 2.172 464 E HA -0.295 4.055 4.350 -0.000 0.000 0.213 464 E C 2.171 178.782 176.600 0.018 0.000 1.051 464 E CA 1.710 58.114 56.400 0.007 0.000 0.860 464 E CB -0.689 29.006 29.700 -0.008 0.000 0.755 464 E HN 0.184 nan 8.360 nan 0.000 0.462 465 L N 0.436 121.679 121.223 0.034 0.000 1.957 465 L HA -0.271 4.069 4.340 -0.000 0.000 0.228 465 L C 2.656 179.648 176.870 0.203 0.000 1.086 465 L CA 1.979 56.869 54.840 0.084 0.000 0.796 465 L CB -1.257 40.861 42.059 0.099 0.000 0.900 465 L HN 0.185 nan 8.230 nan 0.000 0.439 466 L N -0.728 120.608 121.223 0.187 0.000 1.978 466 L HA -0.281 4.059 4.340 -0.000 0.000 0.218 466 L C 2.574 179.588 176.870 0.241 0.000 1.075 466 L CA 2.103 57.076 54.840 0.223 0.000 0.767 466 L CB -1.031 41.062 42.059 0.057 0.000 0.890 466 L HN 0.424 nan 8.230 nan 0.000 0.434 467 E N -0.154 120.107 120.200 0.101 0.000 2.113 467 E HA -0.383 3.967 4.350 -0.000 0.000 0.210 467 E C 2.287 178.914 176.600 0.044 0.000 1.040 467 E CA 2.392 58.826 56.400 0.057 0.000 0.847 467 E CB -0.198 29.515 29.700 0.022 0.000 0.755 467 E HN 0.587 nan 8.360 nan 0.000 0.459 468 S N -0.034 115.649 115.700 -0.029 0.000 2.407 468 S HA -0.305 4.165 4.470 -0.000 0.000 0.244 468 S C 1.792 176.272 174.600 -0.201 0.000 1.077 468 S CA 2.139 60.224 58.200 -0.192 0.000 1.159 468 S CB -1.373 61.572 63.200 -0.426 0.000 1.045 468 S HN 0.414 nan 8.310 nan 0.000 0.438 469 F N 2.145 122.080 119.950 -0.026 0.000 2.161 469 F HA -0.003 4.524 4.527 -0.000 0.000 0.300 469 F C 2.512 178.309 175.800 -0.005 0.000 1.089 469 F CA 0.655 58.640 58.000 -0.025 0.000 1.282 469 F CB -0.816 38.146 39.000 -0.063 0.000 1.010 469 F HN 0.153 nan 8.300 nan 0.000 0.485 470 L N 0.470 121.787 121.223 0.157 0.000 1.981 470 L HA -0.363 3.977 4.340 -0.000 0.000 0.237 470 L C 2.469 179.436 176.870 0.162 0.000 1.095 470 L CA 2.324 57.241 54.840 0.128 0.000 0.820 470 L CB -1.591 40.514 42.059 0.077 0.000 0.914 470 L HN 0.227 nan 8.230 nan 0.000 0.442 471 D N -0.198 120.257 120.400 0.091 0.000 2.360 471 D HA -0.195 4.445 4.640 -0.000 0.000 0.192 471 D C 1.107 177.463 176.300 0.093 0.000 1.025 471 D CA 1.592 55.633 54.000 0.069 0.000 0.903 471 D CB -0.072 40.743 40.800 0.025 0.000 0.900 471 D HN 0.448 nan 8.370 nan 0.000 0.452 472 G N -0.483 108.388 108.800 0.118 0.000 4.232 472 G HA2 0.353 4.313 3.960 -0.000 0.000 0.304 472 G HA3 0.353 4.313 3.960 -0.000 0.000 0.304 472 G C -0.440 174.618 174.900 0.264 0.000 1.295 472 G CA -0.527 44.657 45.100 0.140 0.000 1.398 472 G HN 0.094 nan 8.290 nan 0.000 0.571 473 F N 0.704 120.703 119.950 0.082 0.000 3.124 473 F HA 0.466 4.993 4.527 -0.000 0.000 0.280 473 F C 1.437 177.325 175.800 0.148 0.000 1.519 473 F CA -0.773 57.285 58.000 0.097 0.000 0.994 473 F CB 0.236 39.280 39.000 0.073 0.000 1.823 473 F HN 0.392 nan 8.300 nan 0.000 0.390 474 H N 1.185 119.741 119.070 -0.858 0.000 3.538 474 H HA -0.221 4.335 4.556 -0.000 0.000 0.237 474 H C -1.353 173.818 175.328 -0.261 0.000 1.048 474 H CA 1.732 57.356 56.048 -0.707 0.000 1.204 474 H CB -1.617 27.929 29.762 -0.361 0.000 1.226 474 H HN 0.628 nan 8.280 nan 0.000 0.318 475 D N -0.274 120.198 120.400 0.120 0.000 2.369 475 D HA 0.487 5.127 4.640 -0.000 0.000 0.212 475 D C -0.899 175.526 176.300 0.209 0.000 1.326 475 D CA -0.307 53.786 54.000 0.155 0.000 0.933 475 D CB 0.761 41.648 40.800 0.146 0.000 1.516 475 D HN 0.434 nan 8.370 nan 0.000 0.557 476 E N 0.500 120.816 120.200 0.194 0.000 2.857 476 E HA 0.205 4.555 4.350 -0.000 0.000 0.309 476 E C -0.929 175.748 176.600 0.129 0.000 1.113 476 E CA -0.730 55.768 56.400 0.163 0.000 0.906 476 E CB 1.370 31.187 29.700 0.195 0.000 1.191 476 E HN 0.536 nan 8.360 nan 0.000 0.449 477 S N 1.082 116.830 115.700 0.080 0.000 3.129 477 S HA -0.162 4.308 4.470 -0.000 0.000 0.371 477 S C 1.250 175.884 174.600 0.057 0.000 1.196 477 S CA 0.881 59.113 58.200 0.054 0.000 0.989 477 S CB 0.285 63.504 63.200 0.033 0.000 0.695 477 S HN 0.607 nan 8.310 nan 0.000 0.499 478 T N 3.807 118.391 114.554 0.050 0.000 2.531 478 T HA -0.384 3.966 4.350 -0.000 0.000 0.261 478 T C 2.104 176.825 174.700 0.036 0.000 1.141 478 T CA 2.302 64.432 62.100 0.050 0.000 1.176 478 T CB -0.924 67.962 68.868 0.031 0.000 0.863 478 T HN 0.985 nan 8.240 nan 0.000 0.424 479 Q N 0.721 120.529 119.800 0.014 0.000 2.118 479 Q HA -0.186 4.154 4.340 -0.000 0.000 0.211 479 Q C 2.403 178.389 176.000 -0.024 0.000 0.998 479 Q CA 2.088 57.887 55.803 -0.006 0.000 0.872 479 Q CB -1.209 27.519 28.738 -0.016 0.000 0.925 479 Q HN 0.438 nan 8.270 nan 0.000 0.414 480 V N 1.416 121.312 119.914 -0.030 0.000 2.295 480 V HA -0.302 3.818 4.120 -0.000 0.000 0.246 480 V C 2.386 178.406 176.094 -0.123 0.000 1.049 480 V CA 2.350 64.602 62.300 -0.081 0.000 1.024 480 V CB -0.494 31.278 31.823 -0.084 0.000 0.648 480 V HN 0.500 nan 8.190 nan 0.000 0.447 481 Q N -0.677 119.082 119.800 -0.069 0.000 2.118 481 Q HA -0.299 4.041 4.340 -0.000 0.000 0.211 481 Q C 2.095 178.000 176.000 -0.158 0.000 0.998 481 Q CA 2.267 57.991 55.803 -0.132 0.000 0.872 481 Q CB -0.494 28.356 28.738 0.187 0.000 0.925 481 Q HN 0.502 nan 8.270 nan 0.000 0.414 482 L N 0.645 121.831 121.223 -0.061 0.000 1.908 482 L HA -0.272 4.068 4.340 -0.000 0.000 0.227 482 L C 2.429 179.254 176.870 -0.075 0.000 1.087 482 L CA 1.980 56.791 54.840 -0.049 0.000 0.797 482 L CB -1.054 41.003 42.059 -0.004 0.000 0.893 482 L HN 0.121 nan 8.230 nan 0.000 0.432 483 Q N -0.629 119.152 119.800 -0.033 0.000 2.084 483 Q HA -0.307 4.033 4.340 -0.000 0.000 0.215 483 Q C 2.245 178.204 176.000 -0.069 0.000 1.020 483 Q CA 2.361 58.178 55.803 0.023 0.000 0.887 483 Q CB -0.896 27.895 28.738 0.088 0.000 0.975 483 Q HN 0.438 nan 8.270 nan 0.000 0.413 484 L N -0.318 120.807 121.223 -0.164 0.000 2.010 484 L HA -0.302 4.038 4.340 -0.000 0.000 0.219 484 L C 2.157 178.895 176.870 -0.221 0.000 1.077 484 L CA 1.745 56.439 54.840 -0.244 0.000 0.773 484 L CB -0.406 41.431 42.059 -0.370 0.000 0.892 484 L HN 0.424 nan 8.230 nan 0.000 0.436 485 L N -1.213 119.867 121.223 -0.237 0.000 1.932 485 L HA -0.293 4.047 4.340 -0.000 0.000 0.217 485 L C 2.472 179.188 176.870 -0.256 0.000 1.077 485 L CA 2.353 57.043 54.840 -0.251 0.000 0.765 485 L CB -0.666 41.247 42.059 -0.243 0.000 0.888 485 L HN 0.327 nan 8.230 nan 0.000 0.433 486 T N -0.134 114.274 114.554 -0.243 0.000 2.527 486 T HA -0.410 3.941 4.350 -0.000 0.000 0.258 486 T C 1.747 176.382 174.700 -0.109 0.000 1.175 486 T CA 2.448 64.434 62.100 -0.189 0.000 1.168 486 T CB -0.662 68.213 68.868 0.013 0.000 0.860 486 T HN 0.664 nan 8.240 nan 0.000 0.429 487 A N 1.968 124.746 122.820 -0.071 0.000 1.873 487 A HA -0.212 4.108 4.320 -0.000 0.000 0.219 487 A C 2.188 179.727 177.584 -0.074 0.000 1.269 487 A CA 2.344 54.328 52.037 -0.089 0.000 0.671 487 A CB -1.151 17.780 19.000 -0.115 0.000 0.842 487 A HN 0.537 nan 8.150 nan 0.000 0.460 488 I N -0.314 120.203 120.570 -0.088 0.000 2.151 488 I HA -0.349 3.821 4.170 -0.000 0.000 0.236 488 I C 2.518 178.636 176.117 0.002 0.000 1.000 488 I CA 2.174 63.443 61.300 -0.052 0.000 1.285 488 I CB -1.870 36.075 38.000 -0.092 0.000 0.994 488 I HN 0.252 nan 8.210 nan 0.000 0.396 489 V N 0.921 120.809 119.914 -0.044 0.000 2.223 489 V HA -0.406 3.714 4.120 -0.000 0.000 0.253 489 V C 2.511 178.684 176.094 0.131 0.000 1.061 489 V CA 2.740 65.061 62.300 0.034 0.000 1.035 489 V CB -1.115 30.680 31.823 -0.047 0.000 0.653 489 V HN 0.427 nan 8.190 nan 0.000 0.454 490 K N 0.083 120.524 120.400 0.068 0.000 2.081 490 K HA -0.315 4.005 4.320 -0.000 0.000 0.222 490 K C 1.977 178.609 176.600 0.053 0.000 1.055 490 K CA 2.505 58.826 56.287 0.057 0.000 0.954 490 K CB -0.828 31.667 32.500 -0.009 0.000 0.732 490 K HN 0.584 nan 8.250 nan 0.000 0.458 491 L N -0.765 120.479 121.223 0.036 0.000 2.141 491 L HA -0.050 4.290 4.340 -0.000 0.000 0.209 491 L C 2.126 179.018 176.870 0.037 0.000 1.094 491 L CA 1.494 56.344 54.840 0.018 0.000 0.763 491 L CB -1.367 40.695 42.059 0.005 0.000 0.908 491 L HN 0.105 nan 8.230 nan 0.000 0.437 492 F N 0.746 120.688 119.950 -0.012 0.000 2.161 492 F HA -0.128 4.399 4.527 -0.000 0.000 0.300 492 F C 1.906 177.714 175.800 0.014 0.000 1.089 492 F CA 1.551 59.553 58.000 0.003 0.000 1.282 492 F CB -0.162 38.845 39.000 0.013 0.000 1.010 492 F HN 0.093 nan 8.300 nan 0.000 0.485 493 L N 0.270 121.538 121.223 0.075 0.000 2.552 493 L HA -0.052 4.288 4.340 -0.000 0.000 0.227 493 L C 1.609 178.436 176.870 -0.072 0.000 1.146 493 L CA 0.489 55.336 54.840 0.011 0.000 0.858 493 L CB -0.599 41.534 42.059 0.125 0.000 0.969 493 L HN -0.001 nan 8.230 nan 0.000 0.451 494 K N 1.314 121.662 120.400 -0.088 0.000 2.546 494 K HA -0.016 4.304 4.320 -0.000 0.000 0.198 494 K C 0.772 177.289 176.600 -0.139 0.000 1.028 494 K CA 0.264 56.498 56.287 -0.088 0.000 1.150 494 K CB -0.362 32.097 32.500 -0.069 0.000 0.876 494 K HN 0.061 nan 8.250 nan 0.000 0.508 495 K N -1.969 118.292 120.400 -0.233 0.000 3.548 495 K HA -0.185 4.135 4.320 -0.000 0.000 0.310 495 K C -1.929 174.480 176.600 -0.318 0.000 1.282 495 K CA 0.865 56.962 56.287 -0.317 0.000 1.008 495 K CB -2.390 30.000 32.500 -0.184 0.000 1.265 495 K HN 0.311 nan 8.250 nan 0.000 0.430 496 P HA -0.152 nan 4.420 nan 0.000 0.264 496 P C 0.571 177.762 177.300 -0.181 0.000 1.156 496 P CA 1.018 64.024 63.100 -0.156 0.000 0.756 496 P CB 0.507 32.150 31.700 -0.096 0.000 0.764 497 T N 1.273 115.768 114.554 -0.098 0.000 3.014 497 T HA -0.101 4.249 4.350 -0.000 0.000 0.263 497 T C 1.316 176.018 174.700 0.003 0.000 1.078 497 T CA 0.849 62.916 62.100 -0.054 0.000 1.135 497 T CB -0.244 68.606 68.868 -0.030 0.000 0.895 497 T HN 0.592 nan 8.240 nan 0.000 0.480 498 E N 2.103 122.302 120.200 -0.001 0.000 2.516 498 E HA -0.100 4.250 4.350 -0.000 0.000 0.199 498 E C 1.643 178.279 176.600 0.061 0.000 1.069 498 E CA 1.132 57.547 56.400 0.025 0.000 0.876 498 E CB -0.620 29.085 29.700 0.009 0.000 0.843 498 E HN 0.620 nan 8.360 nan 0.000 0.530 499 T N -2.110 112.501 114.554 0.096 0.000 3.014 499 T HA -0.131 4.219 4.350 -0.000 0.000 0.263 499 T C 1.827 176.704 174.700 0.295 0.000 1.078 499 T CA 0.594 62.821 62.100 0.212 0.000 1.135 499 T CB 0.064 69.124 68.868 0.319 0.000 0.895 499 T HN 0.177 nan 8.240 nan 0.000 0.480 500 Q N 1.745 121.730 119.800 0.309 0.000 1.722 500 Q HA -0.340 4.000 4.340 -0.000 0.000 0.373 500 Q C 2.407 178.462 176.000 0.092 0.000 1.042 500 Q CA 2.801 58.752 55.803 0.247 0.000 0.879 500 Q CB -0.249 28.593 28.738 0.174 0.000 0.975 500 Q HN 0.704 nan 8.270 nan 0.000 0.405 501 E N 0.538 120.772 120.200 0.057 0.000 2.200 501 E HA -0.274 4.076 4.350 -0.000 0.000 0.211 501 E C 2.098 178.690 176.600 -0.012 0.000 1.048 501 E CA 1.956 58.363 56.400 0.012 0.000 0.851 501 E CB -1.048 28.662 29.700 0.016 0.000 0.747 501 E HN 0.563 nan 8.360 nan 0.000 0.462 502 L N 0.724 121.955 121.223 0.012 0.000 1.910 502 L HA -0.200 4.140 4.340 -0.000 0.000 0.221 502 L C 2.876 179.711 176.870 -0.058 0.000 1.084 502 L CA 1.631 56.467 54.840 -0.006 0.000 0.779 502 L CB -0.986 41.090 42.059 0.028 0.000 0.888 502 L HN -0.008 nan 8.230 nan 0.000 0.432 503 V N -0.170 119.705 119.914 -0.064 0.000 2.280 503 V HA -0.401 3.719 4.120 -0.000 0.000 0.258 503 V C 2.620 178.569 176.094 -0.241 0.000 1.081 503 V CA 1.995 64.187 62.300 -0.181 0.000 1.070 503 V CB -0.907 30.700 31.823 -0.360 0.000 0.666 503 V HN 0.528 nan 8.190 nan 0.000 0.450 504 Q N -0.302 119.362 119.800 -0.226 0.000 1.900 504 Q HA -0.330 4.010 4.340 -0.000 0.000 0.219 504 Q C 2.308 178.153 176.000 -0.258 0.000 1.012 504 Q CA 2.516 58.154 55.803 -0.276 0.000 0.876 504 Q CB -0.592 28.044 28.738 -0.169 0.000 0.952 504 Q HN 0.746 nan 8.270 nan 0.000 0.419 505 Q N 0.032 119.739 119.800 -0.155 0.000 2.065 505 Q HA -0.228 4.112 4.340 -0.000 0.000 0.213 505 Q C 2.318 178.250 176.000 -0.113 0.000 1.012 505 Q CA 2.387 58.124 55.803 -0.110 0.000 0.876 505 Q CB -0.688 28.019 28.738 -0.051 0.000 0.954 505 Q HN 0.217 nan 8.270 nan 0.000 0.413 506 V N 1.238 121.085 119.914 -0.111 0.000 2.232 506 V HA -0.384 3.736 4.120 -0.000 0.000 0.251 506 V C 2.292 178.306 176.094 -0.134 0.000 1.048 506 V CA 2.417 64.652 62.300 -0.107 0.000 1.029 506 V CB -1.107 30.624 31.823 -0.154 0.000 0.658 506 V HN 0.381 nan 8.190 nan 0.000 0.464 507 L N -0.081 121.000 121.223 -0.236 0.000 1.965 507 L HA -0.325 4.015 4.340 -0.000 0.000 0.226 507 L C 2.735 179.416 176.870 -0.314 0.000 1.083 507 L CA 2.292 56.945 54.840 -0.311 0.000 0.790 507 L CB -1.219 40.547 42.059 -0.488 0.000 0.898 507 L HN 0.510 nan 8.230 nan 0.000 0.439 508 S N -0.123 115.355 115.700 -0.370 0.000 2.407 508 S HA -0.281 4.189 4.470 -0.000 0.000 0.244 508 S C 1.934 176.432 174.600 -0.170 0.000 1.077 508 S CA 2.191 60.215 58.200 -0.293 0.000 1.159 508 S CB -0.449 62.613 63.200 -0.229 0.000 1.045 508 S HN 0.294 nan 8.310 nan 0.000 0.438 509 L N 0.691 121.865 121.223 -0.081 0.000 1.970 509 L HA -0.095 4.245 4.340 -0.000 0.000 0.212 509 L C 2.500 179.350 176.870 -0.034 0.000 1.071 509 L CA 1.430 56.264 54.840 -0.010 0.000 0.751 509 L CB -0.615 41.533 42.059 0.148 0.000 0.889 509 L HN 0.438 nan 8.230 nan 0.000 0.432 510 A N -1.506 121.331 122.820 0.029 0.000 2.236 510 A HA 0.027 4.347 4.320 -0.000 0.000 0.214 510 A C 1.703 179.209 177.584 -0.130 0.000 1.287 510 A CA 1.008 53.051 52.037 0.010 0.000 0.909 510 A CB -0.584 18.460 19.000 0.074 0.000 0.839 510 A HN 0.419 nan 8.150 nan 0.000 0.486 511 T N -0.749 113.685 114.554 -0.199 0.000 3.151 511 T HA 0.010 4.360 4.350 -0.000 0.000 0.239 511 T C 1.896 176.520 174.700 -0.127 0.000 0.979 511 T CA 1.022 62.914 62.100 -0.348 0.000 1.194 511 T CB 0.030 68.619 68.868 -0.465 0.000 0.982 511 T HN 0.752 nan 8.240 nan 0.000 0.428 512 Q N -0.133 119.624 119.800 -0.071 0.000 2.313 512 Q HA 0.216 4.556 4.340 -0.000 0.000 0.263 512 Q C 0.313 176.305 176.000 -0.013 0.000 0.820 512 Q CA 0.137 55.944 55.803 0.006 0.000 0.974 512 Q CB 0.225 28.980 28.738 0.028 0.000 1.156 512 Q HN 0.134 nan 8.270 nan 0.000 0.517 513 D N 2.315 122.690 120.400 -0.041 0.000 2.336 513 D HA 0.034 4.674 4.640 -0.000 0.000 0.229 513 D C 0.015 176.258 176.300 -0.096 0.000 1.061 513 D CA 0.497 54.481 54.000 -0.027 0.000 0.875 513 D CB 0.461 41.254 40.800 -0.012 0.000 0.904 513 D HN 0.307 nan 8.370 nan 0.000 0.525 514 S N -0.420 115.200 115.700 -0.133 0.000 2.568 514 S HA 0.569 5.039 4.470 -0.000 0.000 0.302 514 S C -0.525 173.999 174.600 -0.126 0.000 1.082 514 S CA -0.906 57.163 58.200 -0.219 0.000 1.009 514 S CB 2.409 65.499 63.200 -0.182 0.000 1.069 514 S HN -0.252 nan 8.310 nan 0.000 0.500 515 D N 1.198 121.508 120.400 -0.149 0.000 2.938 515 D HA 0.318 4.958 4.640 -0.000 0.000 0.369 515 D C -1.045 175.224 176.300 -0.051 0.000 1.301 515 D CA -0.127 53.829 54.000 -0.073 0.000 0.805 515 D CB 0.182 40.940 40.800 -0.070 0.000 1.161 515 D HN 0.473 nan 8.370 nan 0.000 0.474 516 N N 1.171 119.854 118.700 -0.028 0.000 2.664 516 N HA 0.239 4.979 4.740 -0.000 0.000 0.257 516 N C -2.053 173.474 175.510 0.029 0.000 1.108 516 N CA -2.011 51.037 53.050 -0.004 0.000 0.822 516 N CB 1.990 40.473 38.487 -0.007 0.000 1.199 516 N HN -0.197 nan 8.380 nan 0.000 0.529 517 P HA -0.299 nan 4.420 nan 0.000 0.214 517 P C 0.941 178.282 177.300 0.069 0.000 0.989 517 P CA 1.523 64.653 63.100 0.050 0.000 1.008 517 P CB 0.229 31.950 31.700 0.034 0.000 0.747 518 D N -1.218 119.216 120.400 0.056 0.000 2.230 518 D HA -0.205 4.435 4.640 -0.000 0.000 0.189 518 D C 1.904 178.258 176.300 0.090 0.000 1.006 518 D CA 1.374 55.414 54.000 0.067 0.000 0.853 518 D CB -1.009 39.823 40.800 0.053 0.000 0.959 518 D HN -0.079 nan 8.370 nan 0.000 0.449 519 L N 1.200 122.470 121.223 0.078 0.000 1.965 519 L HA -0.263 4.077 4.340 -0.000 0.000 0.226 519 L C 2.565 179.503 176.870 0.112 0.000 1.083 519 L CA 2.189 57.081 54.840 0.086 0.000 0.790 519 L CB -1.114 40.986 42.059 0.068 0.000 0.898 519 L HN 0.155 nan 8.230 nan 0.000 0.439 520 R N -0.247 120.326 120.500 0.121 0.000 2.190 520 R HA -0.256 4.084 4.340 -0.000 0.000 0.255 520 R C 1.838 178.338 176.300 0.333 0.000 1.143 520 R CA 2.326 58.553 56.100 0.212 0.000 0.965 520 R CB -0.382 30.075 30.300 0.262 0.000 0.889 520 R HN 0.633 nan 8.270 nan 0.000 0.448 521 D N -0.557 119.995 120.400 0.254 0.000 2.098 521 D HA -0.185 4.455 4.640 -0.000 0.000 0.207 521 D C 1.771 178.222 176.300 0.252 0.000 0.979 521 D CA 0.875 55.022 54.000 0.245 0.000 0.878 521 D CB -0.587 40.300 40.800 0.146 0.000 1.028 521 D HN 0.148 nan 8.370 nan 0.000 0.452 522 R N 0.656 121.284 120.500 0.212 0.000 2.178 522 R HA -0.201 4.139 4.340 -0.000 0.000 0.257 522 R C 2.168 178.732 176.300 0.440 0.000 1.163 522 R CA 1.850 58.127 56.100 0.296 0.000 0.981 522 R CB -0.703 29.774 30.300 0.295 0.000 0.878 522 R HN 0.269 nan 8.270 nan 0.000 0.454 523 G N -0.331 108.627 108.800 0.264 0.000 2.666 523 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.215 523 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.215 523 G C 1.026 176.066 174.900 0.233 0.000 1.294 523 G CA 1.107 46.303 45.100 0.160 0.000 0.811 523 G HN 0.376 nan 8.290 nan 0.000 0.594 524 Y N 0.734 121.161 120.300 0.212 0.000 2.030 524 Y HA -0.256 4.294 4.550 -0.000 0.000 0.272 524 Y C 2.887 178.935 175.900 0.247 0.000 1.185 524 Y CA 1.541 59.791 58.100 0.250 0.000 1.120 524 Y CB -0.487 38.077 38.460 0.174 0.000 0.955 524 Y HN 0.137 nan 8.280 nan 0.000 0.495 525 I N -1.089 119.682 120.570 0.335 0.000 2.132 525 I HA -0.495 3.675 4.170 -0.000 0.000 0.238 525 I C 2.131 178.336 176.117 0.147 0.000 1.012 525 I CA 2.139 63.531 61.300 0.154 0.000 1.288 525 I CB -0.715 37.299 38.000 0.023 0.000 0.997 525 I HN 0.244 nan 8.210 nan 0.000 0.402 526 Y N -0.880 119.506 120.300 0.143 0.000 2.097 526 Y HA -0.339 4.211 4.550 -0.000 0.000 0.282 526 Y C 2.374 178.402 175.900 0.213 0.000 1.152 526 Y CA 2.124 60.304 58.100 0.134 0.000 1.136 526 Y CB -0.939 37.578 38.460 0.094 0.000 0.975 526 Y HN 0.350 nan 8.280 nan 0.000 0.498 527 W N 1.215 122.603 121.300 0.148 0.000 2.321 527 W HA -0.304 4.356 4.660 -0.000 0.000 0.285 527 W C 1.737 178.300 176.519 0.073 0.000 1.213 527 W CA 1.312 58.693 57.345 0.061 0.000 1.205 527 W CB -0.017 29.456 29.460 0.022 0.000 1.134 527 W HN 0.134 nan 8.180 nan 0.000 0.549 528 R N -0.856 119.703 120.500 0.098 0.000 2.105 528 R HA -0.085 4.255 4.340 -0.000 0.000 0.214 528 R C 2.126 178.391 176.300 -0.058 0.000 1.091 528 R CA 0.757 56.801 56.100 -0.093 0.000 1.007 528 R CB -0.902 29.386 30.300 -0.020 0.000 0.912 528 R HN 0.111 nan 8.270 nan 0.000 0.450 529 L N 1.435 122.671 121.223 0.022 0.000 2.079 529 L HA -0.152 4.188 4.340 -0.000 0.000 0.210 529 L C 1.716 178.606 176.870 0.033 0.000 1.081 529 L CA 1.796 56.647 54.840 0.018 0.000 0.752 529 L CB -0.311 41.762 42.059 0.023 0.000 0.896 529 L HN 0.140 nan 8.230 nan 0.000 0.433 530 L N -1.847 119.416 121.223 0.067 0.000 2.102 530 L HA -0.037 4.303 4.340 -0.000 0.000 0.202 530 L C 2.463 179.318 176.870 -0.025 0.000 1.076 530 L CA 1.120 56.007 54.840 0.078 0.000 0.761 530 L CB -0.916 41.233 42.059 0.150 0.000 0.921 530 L HN 0.239 nan 8.230 nan 0.000 0.444 531 S N -1.068 114.503 115.700 -0.215 0.000 2.571 531 S HA -0.129 4.341 4.470 -0.000 0.000 0.245 531 S C 1.630 176.106 174.600 -0.207 0.000 0.976 531 S CA 1.545 59.513 58.200 -0.387 0.000 0.954 531 S CB -0.203 62.467 63.200 -0.883 0.000 0.756 531 S HN 0.421 nan 8.310 nan 0.000 0.535 532 T N -0.327 114.155 114.554 -0.120 0.000 3.205 532 T HA 0.177 4.527 4.350 -0.000 0.000 0.238 532 T C 0.074 174.760 174.700 -0.024 0.000 0.974 532 T CA -0.011 62.047 62.100 -0.071 0.000 1.246 532 T CB 0.129 68.958 68.868 -0.066 0.000 1.007 532 T HN 0.253 nan 8.240 nan 0.000 0.414 533 D N 1.011 121.411 120.400 0.000 0.000 2.429 533 D HA 0.268 4.908 4.640 -0.000 0.000 0.255 533 D C -2.251 174.081 176.300 0.054 0.000 1.257 533 D CA -1.792 52.222 54.000 0.023 0.000 0.890 533 D CB 1.674 42.483 40.800 0.014 0.000 1.267 533 D HN -0.067 nan 8.370 nan 0.000 0.521 534 P HA -0.247 nan 4.420 nan 0.000 0.214 534 P C 1.801 179.154 177.300 0.088 0.000 1.164 534 P CA 0.972 64.148 63.100 0.126 0.000 0.942 534 P CB 0.342 32.127 31.700 0.141 0.000 0.791 535 V N -0.133 119.815 119.914 0.056 0.000 2.242 535 V HA -0.391 3.729 4.120 -0.000 0.000 0.257 535 V C 2.433 178.550 176.094 0.039 0.000 1.073 535 V CA 2.711 65.033 62.300 0.037 0.000 1.058 535 V CB -1.891 29.945 31.823 0.023 0.000 0.664 535 V HN 0.208 nan 8.190 nan 0.000 0.451 536 A N -0.169 122.673 122.820 0.036 0.000 1.849 536 A HA -0.247 4.073 4.320 -0.000 0.000 0.217 536 A C 2.481 180.090 177.584 0.042 0.000 1.202 536 A CA 3.226 55.281 52.037 0.030 0.000 0.629 536 A CB -1.319 17.694 19.000 0.022 0.000 0.834 536 A HN 0.773 nan 8.150 nan 0.000 0.447 537 A N -0.309 122.546 122.820 0.059 0.000 1.881 537 A HA -0.331 3.989 4.320 -0.000 0.000 0.219 537 A C 2.105 179.742 177.584 0.087 0.000 1.215 537 A CA 2.873 54.958 52.037 0.080 0.000 0.648 537 A CB -0.872 18.204 19.000 0.126 0.000 0.832 537 A HN 0.660 nan 8.150 nan 0.000 0.455 538 K N -0.588 119.867 120.400 0.092 0.000 2.005 538 K HA -0.320 4.000 4.320 -0.000 0.000 0.229 538 K C 1.979 178.613 176.600 0.057 0.000 1.050 538 K CA 2.417 58.749 56.287 0.075 0.000 0.994 538 K CB -0.447 32.082 32.500 0.048 0.000 0.736 538 K HN 0.628 nan 8.250 nan 0.000 0.448 539 E N -0.171 120.052 120.200 0.040 0.000 2.086 539 E HA -0.233 4.117 4.350 -0.000 0.000 0.200 539 E C 2.025 178.648 176.600 0.038 0.000 1.012 539 E CA 1.884 58.303 56.400 0.032 0.000 0.812 539 E CB -0.145 29.568 29.700 0.022 0.000 0.743 539 E HN 0.214 nan 8.360 nan 0.000 0.453 540 V N 0.764 120.701 119.914 0.038 0.000 2.227 540 V HA -0.359 3.761 4.120 -0.000 0.000 0.249 540 V C 2.380 178.504 176.094 0.050 0.000 1.046 540 V CA 2.211 64.531 62.300 0.034 0.000 1.015 540 V CB -0.908 30.928 31.823 0.022 0.000 0.648 540 V HN 0.155 nan 8.190 nan 0.000 0.460 541 V N -0.014 119.945 119.914 0.074 0.000 2.219 541 V HA -0.248 3.872 4.120 -0.000 0.000 0.248 541 V C 1.708 177.868 176.094 0.110 0.000 1.053 541 V CA 1.900 64.269 62.300 0.116 0.000 1.009 541 V CB -0.815 31.120 31.823 0.186 0.000 0.636 541 V HN 0.507 nan 8.190 nan 0.000 0.445 542 L N 1.143 122.421 121.223 0.091 0.000 2.919 542 L HA 0.413 4.753 4.340 -0.000 0.000 0.242 542 L C 0.703 177.608 176.870 0.057 0.000 1.366 542 L CA -0.347 54.536 54.840 0.072 0.000 1.212 542 L CB -0.927 41.160 42.059 0.047 0.000 1.604 542 L HN 0.313 nan 8.230 nan 0.000 0.433 543 A N 0.154 123.012 122.820 0.063 0.000 2.313 543 A HA 0.283 4.603 4.320 -0.000 0.000 0.261 543 A C 0.356 177.972 177.584 0.053 0.000 1.090 543 A CA -0.507 51.559 52.037 0.049 0.000 0.807 543 A CB 0.250 19.276 19.000 0.044 0.000 1.055 543 A HN 0.528 nan 8.150 nan 0.000 0.492 544 E N 0.932 121.156 120.200 0.041 0.000 2.729 544 E HA 0.014 4.364 4.350 -0.000 0.000 0.246 544 E C -0.620 176.015 176.600 0.057 0.000 0.984 544 E CA 0.767 57.193 56.400 0.043 0.000 0.951 544 E CB 0.054 29.773 29.700 0.032 0.000 0.914 544 E HN 0.346 nan 8.360 nan 0.000 0.509 545 K N 4.898 125.343 120.400 0.075 0.000 2.263 545 K HA 0.249 4.569 4.320 -0.000 0.000 0.272 545 K C -1.985 174.668 176.600 0.088 0.000 1.033 545 K CA -1.752 54.591 56.287 0.093 0.000 0.884 545 K CB 0.840 33.420 32.500 0.133 0.000 1.107 545 K HN 0.348 nan 8.250 nan 0.000 0.460 546 P HA -0.101 nan 4.420 nan 0.000 0.275 546 P C -0.514 176.829 177.300 0.071 0.000 1.271 546 P CA -0.080 63.057 63.100 0.061 0.000 0.861 546 P CB 0.457 32.188 31.700 0.050 0.000 1.071 547 L N -0.626 120.634 121.223 0.061 0.000 2.358 547 L HA 0.426 4.766 4.340 -0.000 0.000 0.268 547 L C 0.218 177.125 176.870 0.063 0.000 1.032 547 L CA -0.961 53.921 54.840 0.069 0.000 0.805 547 L CB 0.796 42.890 42.059 0.058 0.000 1.253 547 L HN 0.213 nan 8.230 nan 0.000 0.452 548 I N 0.168 120.780 120.570 0.070 0.000 2.664 548 I HA 0.284 4.454 4.170 -0.000 0.000 0.308 548 I C -0.120 176.024 176.117 0.046 0.000 0.984 548 I CA 0.156 61.488 61.300 0.053 0.000 1.213 548 I CB 1.759 39.791 38.000 0.054 0.000 1.379 548 I HN 0.517 nan 8.210 nan 0.000 0.501 549 S N 2.249 117.968 115.700 0.032 0.000 2.721 549 S HA 0.433 4.903 4.470 -0.000 0.000 0.264 549 S C -0.517 174.095 174.600 0.020 0.000 1.161 549 S CA -0.738 57.478 58.200 0.027 0.000 1.113 549 S CB 0.785 63.999 63.200 0.024 0.000 1.079 549 S HN 0.712 nan 8.310 nan 0.000 0.479 550 E N 2.350 122.563 120.200 0.021 0.000 3.846 550 E HA 0.162 4.512 4.350 -0.000 0.000 0.216 550 E C 0.704 177.315 176.600 0.018 0.000 1.092 550 E CA -0.295 56.114 56.400 0.015 0.000 1.370 550 E CB 0.141 29.846 29.700 0.009 0.000 1.227 550 E HN 0.829 nan 8.360 nan 0.000 0.442 551 E N -0.874 119.337 120.200 0.019 0.000 2.442 551 E HA -0.036 4.314 4.350 -0.000 0.000 0.195 551 E C 0.972 177.582 176.600 0.016 0.000 1.030 551 E CA 0.458 56.869 56.400 0.019 0.000 0.869 551 E CB 0.104 29.816 29.700 0.019 0.000 0.857 551 E HN 0.105 nan 8.360 nan 0.000 0.505 552 T N 1.137 115.700 114.554 0.014 0.000 2.969 552 T HA -0.089 4.261 4.350 -0.000 0.000 0.271 552 T C -0.057 174.652 174.700 0.015 0.000 1.127 552 T CA 1.195 63.303 62.100 0.012 0.000 1.102 552 T CB -0.211 68.663 68.868 0.010 0.000 0.855 552 T HN 0.211 nan 8.240 nan 0.000 0.536 553 D N -0.112 120.298 120.400 0.016 0.000 2.340 553 D HA 0.603 5.243 4.640 -0.000 0.000 0.240 553 D C -0.106 176.207 176.300 0.021 0.000 1.001 553 D CA -0.696 53.316 54.000 0.020 0.000 0.888 553 D CB 1.377 42.188 40.800 0.019 0.000 1.310 553 D HN -0.011 nan 8.370 nan 0.000 0.474 554 L N 1.629 122.866 121.223 0.024 0.000 2.396 554 L HA -0.161 4.179 4.340 -0.000 0.000 0.718 554 L C -0.081 176.798 176.870 0.015 0.000 1.257 554 L CA -0.455 54.397 54.840 0.021 0.000 1.392 554 L CB -1.597 40.473 42.059 0.019 0.000 2.166 554 L HN 0.603 nan 8.230 nan 0.000 0.949 555 I N -0.409 120.170 120.570 0.016 0.000 2.797 555 I HA -0.331 3.839 4.170 -0.000 0.000 0.138 555 I C 1.190 177.310 176.117 0.005 0.000 0.890 555 I CA 1.228 62.533 61.300 0.008 0.000 2.760 555 I CB 0.034 38.027 38.000 -0.012 0.000 0.619 555 I HN 0.531 nan 8.210 nan 0.000 0.352 556 E N 4.349 124.551 120.200 0.003 0.000 2.254 556 E HA 0.297 4.647 4.350 -0.000 0.000 0.258 556 E C -1.788 174.811 176.600 -0.001 0.000 1.033 556 E CA -1.350 55.052 56.400 0.002 0.000 0.893 556 E CB 0.907 30.609 29.700 0.004 0.000 1.204 556 E HN 0.350 nan 8.360 nan 0.000 0.425 557 P HA -0.040 nan 4.420 nan 0.000 0.207 557 P C 1.122 178.422 177.300 -0.001 0.000 1.212 557 P CA 1.056 64.157 63.100 0.001 0.000 0.914 557 P CB -0.033 31.669 31.700 0.004 0.000 0.750 558 T N 0.430 114.983 114.554 -0.001 0.000 2.653 558 T HA -0.195 4.155 4.350 -0.000 0.000 0.268 558 T C 1.773 176.468 174.700 -0.008 0.000 1.035 558 T CA 1.435 63.533 62.100 -0.003 0.000 1.154 558 T CB -1.051 67.815 68.868 -0.002 0.000 0.862 558 T HN -0.080 nan 8.240 nan 0.000 0.441 559 L N 0.764 121.980 121.223 -0.011 0.000 1.994 559 L HA 0.003 4.343 4.340 -0.000 0.000 0.208 559 L C 2.254 179.108 176.870 -0.027 0.000 1.071 559 L CA 1.422 56.250 54.840 -0.020 0.000 0.745 559 L CB -0.983 41.069 42.059 -0.013 0.000 0.892 559 L HN 0.238 nan 8.230 nan 0.000 0.431 560 L N -0.243 120.968 121.223 -0.020 0.000 1.963 560 L HA -0.313 4.027 4.340 -0.000 0.000 0.220 560 L C 2.171 179.030 176.870 -0.019 0.000 1.076 560 L CA 2.409 57.233 54.840 -0.025 0.000 0.772 560 L CB -1.288 40.761 42.059 -0.018 0.000 0.892 560 L HN 0.413 nan 8.230 nan 0.000 0.435 561 D N -0.400 119.995 120.400 -0.007 0.000 2.127 561 D HA -0.315 4.325 4.640 -0.000 0.000 0.190 561 D C 1.974 178.278 176.300 0.006 0.000 1.000 561 D CA 1.978 55.980 54.000 0.003 0.000 0.839 561 D CB -0.360 40.444 40.800 0.007 0.000 0.955 561 D HN 0.713 nan 8.370 nan 0.000 0.446 562 E N 0.803 121.001 120.200 -0.003 0.000 2.097 562 E HA -0.203 4.147 4.350 -0.000 0.000 0.196 562 E C 2.459 179.048 176.600 -0.018 0.000 1.000 562 E CA 0.823 57.223 56.400 -0.001 0.000 0.804 562 E CB -0.154 29.528 29.700 -0.029 0.000 0.740 562 E HN 0.254 nan 8.360 nan 0.000 0.454 563 L N 0.569 121.748 121.223 -0.073 0.000 1.988 563 L HA -0.190 4.150 4.340 -0.000 0.000 0.207 563 L C 2.733 179.619 176.870 0.027 0.000 1.071 563 L CA 1.277 56.048 54.840 -0.114 0.000 0.744 563 L CB -0.666 41.335 42.059 -0.097 0.000 0.893 563 L HN 0.265 nan 8.230 nan 0.000 0.433 564 I N -0.228 120.357 120.570 0.024 0.000 2.292 564 I HA -0.470 3.700 4.170 -0.000 0.000 0.255 564 I C 2.714 178.898 176.117 0.111 0.000 1.078 564 I CA 1.420 62.748 61.300 0.047 0.000 1.365 564 I CB -0.929 37.086 38.000 0.025 0.000 1.049 564 I HN 0.458 nan 8.210 nan 0.000 0.439 565 C N 0.033 119.445 119.300 0.186 0.000 2.398 565 C HA -0.205 4.255 4.460 -0.000 0.000 0.276 565 C C 2.083 177.215 174.990 0.235 0.000 1.222 565 C CA 0.531 59.682 59.018 0.220 0.000 1.746 565 C CB -1.227 26.695 27.740 0.303 0.000 2.039 565 C HN 0.455 nan 8.230 nan 0.000 0.470 566 Y N 1.257 121.551 120.300 -0.010 0.000 2.627 566 Y HA 0.403 4.953 4.550 -0.000 0.000 0.339 566 Y C 0.898 176.794 175.900 -0.007 0.000 1.137 566 Y CA -1.173 56.919 58.100 -0.015 0.000 1.361 566 Y CB -1.586 36.855 38.460 -0.032 0.000 1.180 566 Y HN 0.317 nan 8.280 nan 0.000 0.512 567 I N 0.096 120.748 120.570 0.136 0.000 2.813 567 I HA 0.116 4.286 4.170 -0.000 0.000 0.287 567 I C 1.524 177.675 176.117 0.056 0.000 1.196 567 I CA 0.936 62.284 61.300 0.080 0.000 1.421 567 I CB 0.308 38.336 38.000 0.047 0.000 1.365 567 I HN 0.537 nan 8.210 nan 0.000 0.591 568 G N 3.363 112.189 108.800 0.043 0.000 2.148 568 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.254 568 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.254 568 G C 0.237 175.157 174.900 0.033 0.000 0.981 568 G CA 0.258 45.371 45.100 0.023 0.000 0.670 568 G HN 0.637 nan 8.290 nan 0.000 0.528 569 T N -0.080 114.511 114.554 0.062 0.000 2.952 569 T HA 0.583 4.933 4.350 -0.000 0.000 0.286 569 T C 1.987 176.726 174.700 0.065 0.000 1.024 569 T CA -0.309 61.823 62.100 0.053 0.000 1.029 569 T CB 1.457 70.391 68.868 0.111 0.000 1.094 569 T HN 0.087 nan 8.240 nan 0.000 0.515 570 L N 1.150 122.366 121.223 -0.010 0.000 1.989 570 L HA -0.127 4.213 4.340 -0.000 0.000 0.211 570 L C 2.987 179.979 176.870 0.204 0.000 1.071 570 L CA 1.731 56.619 54.840 0.080 0.000 0.749 570 L CB -0.927 41.041 42.059 -0.152 0.000 0.890 570 L HN 0.809 nan 8.230 nan 0.000 0.431 571 A N -0.587 122.194 122.820 -0.066 0.000 1.948 571 A HA -0.284 4.036 4.320 -0.000 0.000 0.220 571 A C 2.508 180.237 177.584 0.241 0.000 1.177 571 A CA 2.155 54.284 52.037 0.153 0.000 0.636 571 A CB -0.848 18.107 19.000 -0.076 0.000 0.815 571 A HN 0.388 nan 8.150 nan 0.000 0.449 572 S N -1.528 114.277 115.700 0.175 0.000 2.462 572 S HA -0.112 4.358 4.470 -0.000 0.000 0.243 572 S C 1.669 176.414 174.600 0.243 0.000 1.003 572 S CA 1.575 59.878 58.200 0.172 0.000 0.970 572 S CB -0.357 62.916 63.200 0.120 0.000 0.762 572 S HN 0.520 nan 8.310 nan 0.000 0.510 573 V N -0.822 119.270 119.914 0.297 0.000 2.908 573 V HA 0.186 4.306 4.120 -0.000 0.000 0.240 573 V C 1.402 177.576 176.094 0.133 0.000 1.117 573 V CA 0.549 62.982 62.300 0.221 0.000 1.133 573 V CB -0.392 31.541 31.823 0.185 0.000 0.857 573 V HN 0.545 nan 8.190 nan 0.000 0.478 574 Y N 1.036 121.399 120.300 0.104 0.000 2.352 574 Y HA 0.031 4.581 4.550 -0.000 0.000 0.292 574 Y C 1.456 177.342 175.900 -0.022 0.000 1.136 574 Y CA 1.266 59.359 58.100 -0.011 0.000 1.227 574 Y CB -0.514 37.999 38.460 0.088 0.000 0.991 574 Y HN 0.586 nan 8.280 nan 0.000 0.545 575 H N -1.465 117.743 119.070 0.231 0.000 2.931 575 H HA -0.157 4.399 4.556 -0.000 0.000 0.290 575 H C -0.186 175.203 175.328 0.100 0.000 1.264 575 H CA 0.187 56.300 56.048 0.109 0.000 1.140 575 H CB -1.577 28.224 29.762 0.065 0.000 1.343 575 H HN 0.286 nan 8.280 nan 0.000 0.403 576 K N 0.052 120.608 120.400 0.260 0.000 2.466 576 K HA 0.488 4.808 4.320 -0.000 0.000 0.260 576 K C -2.867 173.820 176.600 0.145 0.000 1.011 576 K CA -2.013 54.366 56.287 0.153 0.000 0.871 576 K CB 2.009 34.564 32.500 0.091 0.000 1.404 576 K HN -0.183 nan 8.250 nan 0.000 0.450 577 P HA 0.178 nan 4.420 nan 0.000 0.279 577 P C -2.247 175.169 177.300 0.193 0.000 1.239 577 P CA -1.427 61.695 63.100 0.037 0.000 0.789 577 P CB 0.555 32.252 31.700 -0.005 0.000 0.933 578 P HA -0.215 nan 4.420 nan 0.000 0.221 578 P C 0.957 178.391 177.300 0.223 0.000 1.141 578 P CA 1.284 64.498 63.100 0.190 0.000 0.794 578 P CB -0.176 31.586 31.700 0.104 0.000 0.764 579 N N -0.884 117.891 118.700 0.127 0.000 2.289 579 N HA -0.109 4.631 4.740 -0.000 0.000 0.184 579 N C 1.523 177.058 175.510 0.041 0.000 1.016 579 N CA 1.386 54.477 53.050 0.069 0.000 0.872 579 N CB -0.331 38.174 38.487 0.031 0.000 0.973 579 N HN 0.149 nan 8.380 nan 0.000 0.433 580 A N -0.344 122.481 122.820 0.009 0.000 2.030 580 A HA 0.119 4.439 4.320 -0.000 0.000 0.215 580 A C 1.648 179.102 177.584 -0.218 0.000 1.164 580 A CA 0.346 52.285 52.037 -0.163 0.000 0.697 580 A CB -0.243 18.557 19.000 -0.332 0.000 0.827 580 A HN 0.080 nan 8.150 nan 0.000 0.457 581 F N -0.248 119.627 119.950 -0.125 0.000 2.085 581 F HA -0.011 4.516 4.527 -0.000 0.000 0.284 581 F C 2.330 178.091 175.800 -0.065 0.000 1.127 581 F CA 1.096 59.021 58.000 -0.124 0.000 1.164 581 F CB -1.159 37.755 39.000 -0.144 0.000 1.035 581 F HN -0.049 nan 8.300 nan 0.000 0.481 582 V N 0.177 120.214 119.914 0.204 0.000 2.395 582 V HA -0.414 3.706 4.120 -0.000 0.000 0.269 582 V C 0.680 176.806 176.094 0.053 0.000 1.192 582 V CA 1.856 64.212 62.300 0.094 0.000 1.120 582 V CB -1.348 30.519 31.823 0.072 0.000 0.824 582 V HN 0.403 nan 8.190 nan 0.000 0.455 583 E N 1.146 121.372 120.200 0.042 0.000 2.863 583 E HA 0.157 4.507 4.350 -0.000 0.000 0.227 583 E C 0.622 177.234 176.600 0.019 0.000 1.166 583 E CA 0.669 57.083 56.400 0.023 0.000 0.925 583 E CB -0.929 28.779 29.700 0.013 0.000 1.064 583 E HN 0.731 nan 8.360 nan 0.000 0.477 584 G N 0.000 108.809 108.800 0.015 0.000 5.446 584 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 584 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 584 G CA 0.000 nan 45.100 nan 0.000 0.502 584 G HN 0.000 nan 8.290 nan 0.000 0.925