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 1ug9_1_A DATA FIRST_RESID 2 DATA SEQUENCE TAEPPGSPGA AATWTKGDKE GVGTSLNPAS KVWYTLTEGT MSEVYYPHAD DATA SEQUENCE TPNTRELQFA VSDGTSAQRE SEQTTRTVEL ADPKALSYRQ TTTDNAGRWR DATA SEQUENCE LTKTYVTDPR RSTVMLGVTF EVLDGGDYQL FVLSDPSLAG TSGGDTGSVT DATA SEQUENCE DGALLASDLA DAATPVATAL VSSVGFGAVA NGYVGTSDGW TDLAADGRLD DATA SEQUENCE NASATAGPGN ISQTGQIPLA AGGKTEFSLA LGFGADTAEA LATAKASLGT DATA SEQUENCE GYKKVSKSYT GEWKKYLNSL DAPATSLTGA LRTQYDVSLM TVKSHEDKTF DATA SEQUENCE PGAFIASLTI PWGQAASAET HREGYHAVWA RDMYQSVTAL LAAGDEEAAA DATA SEQUENCE RGVEWLFTYQ QQPDGHFPQT SRVDGTIGQN GIQLDETAFP ILLANQIGRT DATA SEQUENCE DAGFYRNELK PAADYLVAAG PKTPQERWEE TGGYSTSTLA SQIAALAAAA DATA SEQUENCE DIAGKNGDAG SAAVYRATAD EWQRSTEKWM FTTNGPVGDG KYYLRISATG DATA SEQUENCE NPNDGATRDW GNGAGVHPEN AVLDGGFLEF VRLGVKAPAD PYVADSLAET DATA SEQUENCE DASISQETPG GRMWHRYTYD GYGEKADGSP WDGTGIGRLW PLLSGERGEY DATA SEQUENCE ALANGQDALP YLETMHSAAN AGYMIPEQVW DRDEPTSYGH ELGRSTGSAS DATA SEQUENCE PLSWAMAQYV RLAAGVKAGA PVETPQNVAA RYAAGTPLSS PELSVTAPEA DATA SEQUENCE LSTADSATAV VRGTTNAAKV YVSVNGTATE APVTDGTFSL DVALTGAKNK DATA SEQUENCE VTVAAVAADG GTAVEDRTVL YYGSRIGALS DPAGDDNGPG TYRYPTNSAY DATA SEQUENCE VPGAFDLTGV DVYDAGDDYA FVATIAGEVT NPWGGQAISH QRVNIYLGKG DATA SEQUENCE EGGATPGLPG TNINLEHAWD SVIVTDGRFD GAGVYAPDGT RTSAVSLLAV DATA SEQUENCE PEARQIVTRV PKAALGGLDP ATARMSVAMF GNAESGEGIG NVRPVYDGAY DATA SEQUENCE WEAGDPAWIK EWRFGGGAGV FDGTIPSRDT DTDDPNALDV LVGEGQTQAA DATA SEQUENCE VLDWRAGSPV VVPMLGLQP 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 0.000 174.709 174.700 0.016 0.000 1.109 2 T CA 0.000 62.107 62.100 0.011 0.000 1.349 2 T CB 0.000 68.875 68.868 0.012 0.000 0.612 3 A N 2.770 125.598 122.820 0.013 0.000 2.450 3 A HA 0.625 4.905 4.320 -0.067 0.000 0.255 3 A C 0.317 177.918 177.584 0.028 0.000 1.096 3 A CA -0.253 51.794 52.037 0.016 0.000 0.778 3 A CB 0.151 19.156 19.000 0.009 0.000 1.031 3 A HN 0.737 nan 8.150 nan 0.000 0.494 4 E N 2.648 122.877 120.200 0.048 0.000 2.212 4 E HA 0.460 4.770 4.350 -0.067 0.000 0.268 4 E C -2.468 174.196 176.600 0.107 0.000 0.902 4 E CA -1.780 54.676 56.400 0.095 0.000 0.779 4 E CB 1.414 31.212 29.700 0.163 0.000 1.172 4 E HN 0.570 nan 8.360 nan 0.000 0.409 5 P HA 0.171 nan 4.420 nan 0.000 0.272 5 P C -2.457 174.961 177.300 0.197 0.000 1.223 5 P CA -1.100 62.062 63.100 0.103 0.000 0.784 5 P CB -0.228 31.497 31.700 0.041 0.000 0.923 6 P HA 0.068 nan 4.420 nan 0.000 0.269 6 P C 0.716 178.066 177.300 0.084 0.000 1.215 6 P CA 0.660 63.796 63.100 0.060 0.000 0.780 6 P CB 0.388 32.097 31.700 0.014 0.000 0.898 7 G N 0.204 108.953 108.800 -0.086 0.000 2.296 7 G HA2 -0.205 3.715 3.960 -0.067 0.000 0.188 7 G HA3 -0.205 3.715 3.960 -0.067 0.000 0.188 7 G C 0.401 174.980 174.900 -0.535 0.000 1.000 7 G CA 0.112 45.118 45.100 -0.157 0.000 0.672 7 G HN 0.780 nan 8.290 nan 0.000 0.483 8 S N 1.988 117.039 115.700 -1.082 0.000 2.561 8 S HA 0.348 4.778 4.470 -0.067 0.000 0.294 8 S C 0.076 174.377 174.600 -0.497 0.000 1.294 8 S CA 0.459 57.917 58.200 -1.236 0.000 1.055 8 S CB 0.985 63.686 63.200 -0.832 0.000 0.819 8 S HN 0.367 nan 8.310 nan 0.000 0.503 9 P HA 0.265 nan 4.420 nan 0.000 0.255 9 P C 0.400 177.649 177.300 -0.085 0.000 1.248 9 P CA 0.417 63.362 63.100 -0.258 0.000 0.807 9 P CB -0.582 31.062 31.700 -0.093 0.000 1.150 10 G N 0.121 108.858 108.800 -0.105 0.000 2.697 10 G HA2 0.192 4.112 3.960 -0.067 0.000 0.686 10 G HA3 0.192 4.112 3.960 -0.067 0.000 0.686 10 G C -0.337 174.573 174.900 0.017 0.000 1.179 10 G CA -0.585 44.568 45.100 0.089 0.000 0.765 10 G HN 0.353 nan 8.290 nan 0.000 0.649 11 A N 1.034 123.866 122.820 0.019 0.000 2.466 11 A HA 0.836 5.116 4.320 -0.067 0.000 0.238 11 A C 1.350 178.923 177.584 -0.018 0.000 1.074 11 A CA 1.175 53.209 52.037 -0.004 0.000 0.774 11 A CB 0.262 19.263 19.000 0.002 0.000 1.015 11 A HN 2.620 nan 8.150 nan 0.000 0.498 12 A N 0.488 123.293 122.820 -0.025 0.000 2.498 12 A HA 0.526 4.806 4.320 -0.067 0.000 0.239 12 A C 0.604 178.157 177.584 -0.053 0.000 1.068 12 A CA 0.566 52.581 52.037 -0.038 0.000 0.766 12 A CB -0.284 18.700 19.000 -0.027 0.000 1.003 12 A HN 2.272 nan 8.150 nan 0.000 0.497 13 A N 1.420 124.185 122.820 -0.093 0.000 2.430 13 A HA 0.854 5.134 4.320 -0.067 0.000 0.300 13 A C 0.024 177.500 177.584 -0.180 0.000 1.124 13 A CA -0.023 51.935 52.037 -0.132 0.000 0.766 13 A CB 1.508 20.401 19.000 -0.179 0.000 1.328 13 A HN 1.142 nan 8.150 nan 0.000 0.424 14 T N -1.058 113.392 114.554 -0.172 0.000 2.883 14 T HA 0.600 4.910 4.350 -0.067 0.000 0.284 14 T C -0.596 173.970 174.700 -0.223 0.000 1.041 14 T CA -0.348 61.665 62.100 -0.144 0.000 1.007 14 T CB 0.501 69.372 68.868 0.006 0.000 1.220 14 T HN 0.550 nan 8.240 nan 0.000 0.552 15 W N 0.169 121.514 121.300 0.075 0.000 2.119 15 W HA 0.515 5.134 4.660 -0.067 0.000 0.530 15 W C 0.613 177.176 176.519 0.072 0.000 1.988 15 W CA -0.526 56.864 57.345 0.075 0.000 2.234 15 W CB 0.217 29.736 29.460 0.098 0.000 2.045 15 W HN 0.405 nan 8.180 nan 0.000 0.754 16 T N 0.697 115.511 114.554 0.434 0.000 2.945 16 T HA 0.191 4.501 4.350 -0.067 0.000 0.286 16 T C -0.544 174.262 174.700 0.177 0.000 1.025 16 T CA -0.905 61.341 62.100 0.244 0.000 1.039 16 T CB 1.216 70.213 68.868 0.214 0.000 1.068 16 T HN 0.135 nan 8.240 nan 0.000 0.497 17 K N 1.022 121.496 120.400 0.124 0.000 2.511 17 K HA -0.017 4.263 4.320 -0.067 0.000 0.277 17 K C 1.451 178.072 176.600 0.034 0.000 1.025 17 K CA 0.329 56.664 56.287 0.081 0.000 1.112 17 K CB 0.006 32.543 32.500 0.062 0.000 0.859 17 K HN 0.783 nan 8.250 nan 0.000 0.485 18 G N 3.376 112.160 108.800 -0.028 0.000 2.471 18 G HA2 -0.194 3.726 3.960 -0.067 0.000 0.219 18 G HA3 -0.194 3.726 3.960 -0.067 0.000 0.219 18 G C 0.278 175.119 174.900 -0.099 0.000 1.125 18 G CA 0.275 45.320 45.100 -0.092 0.000 0.775 18 G HN 0.779 nan 8.290 nan 0.000 0.548 19 D N 1.140 121.481 120.400 -0.099 0.000 2.402 19 D HA 0.179 4.779 4.640 -0.067 0.000 0.235 19 D C -0.043 176.213 176.300 -0.073 0.000 1.226 19 D CA -0.236 53.703 54.000 -0.100 0.000 0.918 19 D CB 0.301 41.042 40.800 -0.099 0.000 1.043 19 D HN -0.100 nan 8.370 nan 0.000 0.506 20 K N 3.148 123.500 120.400 -0.080 0.000 2.234 20 K HA 0.132 4.412 4.320 -0.067 0.000 0.282 20 K C 1.040 177.555 176.600 -0.142 0.000 1.039 20 K CA -0.271 55.961 56.287 -0.092 0.000 0.928 20 K CB 1.042 33.489 32.500 -0.088 0.000 1.039 20 K HN 0.454 nan 8.250 nan 0.000 0.470 21 E N 0.787 120.893 120.200 -0.156 0.000 2.268 21 E HA -0.050 4.260 4.350 -0.067 0.000 0.195 21 E C 0.671 177.019 176.600 -0.420 0.000 0.995 21 E CA 0.558 56.836 56.400 -0.202 0.000 0.836 21 E CB 0.272 29.889 29.700 -0.138 0.000 0.763 21 E HN 0.765 nan 8.360 nan 0.000 0.491 22 G N -0.385 108.108 108.800 -0.512 0.000 2.489 22 G HA2 0.417 4.337 3.960 -0.067 0.000 0.291 22 G HA3 0.417 4.337 3.960 -0.067 0.000 0.291 22 G C -1.373 173.225 174.900 -0.503 0.000 1.487 22 G CA -0.361 44.172 45.100 -0.945 0.000 0.795 22 G HN 0.160 nan 8.290 nan 0.000 0.513 23 V N -2.202 117.490 119.914 -0.370 0.000 3.159 23 V HA 1.085 5.165 4.120 -0.067 0.000 0.308 23 V C 0.087 175.909 176.094 -0.453 0.000 1.190 23 V CA -0.226 61.838 62.300 -0.394 0.000 1.037 23 V CB 1.628 33.331 31.823 -0.199 0.000 1.060 23 V HN 2.409 nan 8.190 nan 0.000 0.437 24 G N -0.372 107.963 108.800 -0.775 0.000 2.616 24 G HA2 0.683 4.603 3.960 -0.067 0.000 0.294 24 G HA3 0.683 4.603 3.960 -0.067 0.000 0.294 24 G C -1.118 173.775 174.900 -0.012 0.000 1.489 24 G CA 0.154 45.038 45.100 -0.360 0.000 0.836 24 G HN 1.395 nan 8.290 nan 0.000 0.527 25 T N -0.921 113.830 114.554 0.328 0.000 2.830 25 T HA 0.649 4.959 4.350 -0.067 0.000 0.322 25 T C 0.151 175.144 174.700 0.489 0.000 1.501 25 T CA 0.319 62.546 62.100 0.211 0.000 1.036 25 T CB 1.269 69.947 68.868 -0.317 0.000 1.379 25 T HN 1.659 nan 8.240 nan 0.000 0.493 26 S N 3.250 119.097 115.700 0.245 0.000 2.603 26 S HA 0.385 4.815 4.470 -0.067 0.000 0.268 26 S C 1.404 175.761 174.600 -0.404 0.000 1.317 26 S CA -0.909 57.285 58.200 -0.009 0.000 1.012 26 S CB 0.812 64.024 63.200 0.020 0.000 0.926 26 S HN 0.685 nan 8.310 nan 0.000 0.539 27 L N 0.944 121.616 121.223 -0.919 0.000 2.156 27 L HA 0.070 4.370 4.340 -0.067 0.000 0.208 27 L C 0.782 177.331 176.870 -0.534 0.000 1.095 27 L CA 1.333 55.554 54.840 -1.032 0.000 0.770 27 L CB -1.267 39.999 42.059 -1.322 0.000 0.914 27 L HN 0.804 nan 8.230 nan 0.000 0.439 28 N N 1.816 120.277 118.700 -0.399 0.000 2.468 28 N HA 0.002 4.702 4.740 -0.067 0.000 0.265 28 N C -1.737 173.643 175.510 -0.216 0.000 1.199 28 N CA -1.099 51.802 53.050 -0.250 0.000 0.928 28 N CB 1.211 39.588 38.487 -0.182 0.000 1.059 28 N HN 0.168 nan 8.380 nan 0.000 0.467 29 P HA 0.002 nan 4.420 nan 0.000 0.241 29 P C 0.553 177.784 177.300 -0.115 0.000 1.191 29 P CA 0.386 63.398 63.100 -0.145 0.000 0.771 29 P CB 0.229 31.865 31.700 -0.107 0.000 0.929 30 A N 0.085 122.846 122.820 -0.099 0.000 2.015 30 A HA -0.028 4.252 4.320 -0.067 0.000 0.219 30 A C 1.678 179.229 177.584 -0.055 0.000 1.163 30 A CA 0.822 52.822 52.037 -0.062 0.000 0.646 30 A CB -0.868 18.103 19.000 -0.049 0.000 0.806 30 A HN 0.262 nan 8.150 nan 0.000 0.448 31 S N 0.894 116.535 115.700 -0.098 0.000 2.409 31 S HA 0.296 4.726 4.470 -0.067 0.000 0.308 31 S C -0.019 174.456 174.600 -0.208 0.000 1.080 31 S CA -0.657 57.484 58.200 -0.098 0.000 1.081 31 S CB -0.067 63.079 63.200 -0.091 0.000 1.009 31 S HN 0.241 nan 8.310 nan 0.000 0.502 32 K N 4.038 124.383 120.400 -0.091 0.000 3.192 32 K HA 0.266 4.546 4.320 -0.067 0.000 0.269 32 K C -0.676 175.900 176.600 -0.040 0.000 1.270 32 K CA -0.047 56.170 56.287 -0.115 0.000 1.249 32 K CB -0.174 32.350 32.500 0.041 0.000 1.528 32 K HN 0.370 nan 8.250 nan 0.000 0.360 33 V N 0.787 120.506 119.914 -0.325 0.000 2.638 33 V HA 0.427 4.507 4.120 -0.067 0.000 0.306 33 V C -1.091 174.886 176.094 -0.194 0.000 1.052 33 V CA -0.858 61.366 62.300 -0.127 0.000 0.885 33 V CB 2.253 34.033 31.823 -0.071 0.000 0.999 33 V HN 0.382 nan 8.190 nan 0.000 0.424 34 W N 5.998 127.342 121.300 0.073 0.000 2.619 34 W HA 0.480 5.101 4.660 -0.066 0.000 0.327 34 W C -0.847 175.770 176.519 0.163 0.000 1.027 34 W CA -0.760 56.634 57.345 0.082 0.000 1.233 34 W CB 1.963 31.410 29.460 -0.022 0.000 1.370 34 W HN 0.737 nan 8.180 nan 0.000 0.453 35 Y N 0.700 121.163 120.300 0.272 0.000 2.487 35 Y HA 0.799 5.309 4.550 -0.067 0.000 0.337 35 Y C -0.127 175.853 175.900 0.133 0.000 1.076 35 Y CA -0.861 57.354 58.100 0.193 0.000 1.115 35 Y CB 1.418 39.962 38.460 0.140 0.000 1.235 35 Y HN 0.219 nan 8.280 nan 0.000 0.468 36 T N 1.913 116.586 114.554 0.198 0.000 2.906 36 T HA 0.780 5.090 4.350 -0.067 0.000 0.295 36 T C -1.221 173.511 174.700 0.053 0.000 1.061 36 T CA -0.944 61.181 62.100 0.042 0.000 1.000 36 T CB 1.524 70.442 68.868 0.083 0.000 1.103 36 T HN 0.826 nan 8.240 nan 0.000 0.486 37 L N 1.312 122.503 121.223 -0.052 0.000 2.370 37 L HA 0.877 5.177 4.340 -0.067 0.000 0.266 37 L C -0.510 176.327 176.870 -0.054 0.000 1.002 37 L CA -0.891 53.899 54.840 -0.084 0.000 0.818 37 L CB 2.626 44.579 42.059 -0.175 0.000 1.325 37 L HN 0.952 nan 8.230 nan 0.000 0.418 38 T N -0.819 113.727 114.554 -0.014 0.000 2.957 38 T HA 0.223 4.533 4.350 -0.067 0.000 0.336 38 T C -0.572 174.142 174.700 0.022 0.000 1.462 38 T CA -0.776 61.325 62.100 0.001 0.000 1.073 38 T CB 2.043 70.923 68.868 0.021 0.000 1.319 38 T HN 0.639 nan 8.240 nan 0.000 0.485 39 E N 0.426 120.637 120.200 0.020 0.000 2.805 39 E HA -0.295 4.015 4.350 -0.067 0.000 0.266 39 E C 1.058 177.682 176.600 0.041 0.000 1.092 39 E CA 1.573 57.990 56.400 0.027 0.000 0.781 39 E CB -1.734 27.984 29.700 0.030 0.000 1.379 39 E HN 1.685 nan 8.360 nan 0.000 0.433 40 G N -0.589 108.243 108.800 0.053 0.000 2.143 40 G HA2 -0.341 3.579 3.960 -0.067 0.000 0.249 40 G HA3 -0.341 3.579 3.960 -0.067 0.000 0.249 40 G C 0.403 175.379 174.900 0.128 0.000 0.981 40 G CA 1.529 46.683 45.100 0.090 0.000 0.665 40 G HN 0.949 nan 8.290 nan 0.000 0.528 41 T N -3.011 111.604 114.554 0.102 0.000 2.858 41 T HA 0.757 5.067 4.350 -0.067 0.000 0.285 41 T C 0.124 174.883 174.700 0.098 0.000 1.052 41 T CA -0.182 61.994 62.100 0.125 0.000 1.009 41 T CB 2.087 71.003 68.868 0.080 0.000 1.241 41 T HN 0.816 nan 8.240 nan 0.000 0.542 42 M N 2.836 122.513 119.600 0.128 0.000 2.157 42 M HA 0.454 4.894 4.480 -0.067 0.000 0.354 42 M C 0.324 176.687 176.300 0.104 0.000 1.170 42 M CA -0.373 54.975 55.300 0.081 0.000 1.060 42 M CB 0.971 33.686 32.600 0.192 0.000 1.615 42 M HN 0.996 nan 8.290 nan 0.000 0.460 43 S N 3.252 119.013 115.700 0.102 0.000 2.666 43 S HA 0.424 4.854 4.470 -0.067 0.000 0.230 43 S C -0.318 174.383 174.600 0.168 0.000 1.146 43 S CA -0.591 57.689 58.200 0.134 0.000 1.162 43 S CB -0.169 63.104 63.200 0.122 0.000 1.085 43 S HN 0.729 nan 8.310 nan 0.000 0.514 44 E N 0.626 120.929 120.200 0.172 0.000 2.465 44 E HA 0.403 4.713 4.350 -0.067 0.000 0.260 44 E C -1.197 175.486 176.600 0.139 0.000 0.980 44 E CA 0.107 56.566 56.400 0.098 0.000 0.927 44 E CB 0.406 30.060 29.700 -0.077 0.000 0.934 44 E HN 0.365 nan 8.360 nan 0.000 0.459 45 V N 4.668 124.633 119.914 0.086 0.000 2.407 45 V HA 0.236 4.316 4.120 -0.067 0.000 0.291 45 V C -0.835 175.258 176.094 -0.001 0.000 1.018 45 V CA -0.755 61.654 62.300 0.182 0.000 0.842 45 V CB 0.300 32.272 31.823 0.248 0.000 0.996 45 V HN 0.592 nan 8.190 nan 0.000 0.426 46 Y N 4.575 124.917 120.300 0.069 0.000 2.301 46 Y HA 0.630 5.140 4.550 -0.067 0.000 0.325 46 Y C -0.237 175.749 175.900 0.144 0.000 1.203 46 Y CA -0.023 58.096 58.100 0.032 0.000 1.255 46 Y CB 1.217 39.605 38.460 -0.121 0.000 1.232 46 Y HN 0.685 nan 8.280 nan 0.000 0.501 47 Y N 3.589 123.912 120.300 0.038 0.000 2.554 47 Y HA 0.183 4.693 4.550 -0.067 0.000 0.338 47 Y C -2.766 173.124 175.900 -0.017 0.000 1.247 47 Y CA -1.837 56.256 58.100 -0.011 0.000 1.255 47 Y CB 1.714 39.940 38.460 -0.391 0.000 1.346 47 Y HN 0.291 nan 8.280 nan 0.000 0.481 48 P HA 0.133 nan 4.420 nan 0.000 0.261 48 P C -0.671 176.383 177.300 -0.410 0.000 1.268 48 P CA 0.929 63.325 63.100 -1.174 0.000 0.833 48 P CB 0.549 31.376 31.700 -1.455 0.000 1.231 49 H N -0.716 118.318 119.070 -0.059 0.000 2.679 49 H HA 0.434 4.950 4.556 -0.067 0.000 0.367 49 H C 0.975 176.069 175.328 -0.391 0.000 1.162 49 H CA -0.765 55.226 56.048 -0.096 0.000 1.181 49 H CB 1.759 31.480 29.762 -0.068 0.000 1.693 49 H HN -0.170 nan 8.280 nan 0.000 0.538 50 A N 1.198 123.568 122.820 -0.749 0.000 2.225 50 A HA -0.150 4.130 4.320 -0.067 0.000 0.215 50 A C 0.927 178.205 177.584 -0.509 0.000 1.164 50 A CA 1.488 52.798 52.037 -1.211 0.000 0.710 50 A CB -0.577 17.637 19.000 -1.311 0.000 0.780 50 A HN 0.665 nan 8.150 nan 0.000 0.473 51 D N -2.193 118.109 120.400 -0.162 0.000 2.424 51 D HA 0.107 4.707 4.640 -0.067 0.000 0.220 51 D C -0.236 176.092 176.300 0.047 0.000 1.150 51 D CA 0.177 54.196 54.000 0.031 0.000 0.831 51 D CB -0.326 40.500 40.800 0.044 0.000 0.981 51 D HN 0.009 nan 8.370 nan 0.000 0.500 52 T N 2.814 117.398 114.554 0.050 0.000 2.963 52 T HA 0.360 4.670 4.350 -0.067 0.000 0.328 52 T C -2.879 171.635 174.700 -0.310 0.000 1.048 52 T CA -1.206 60.852 62.100 -0.070 0.000 1.033 52 T CB 2.457 71.348 68.868 0.039 0.000 1.010 52 T HN 0.015 nan 8.240 nan 0.000 0.469 53 P HA 0.389 nan 4.420 nan 0.000 0.278 53 P C -0.278 176.880 177.300 -0.236 0.000 1.238 53 P CA -0.497 61.981 63.100 -1.038 0.000 0.794 53 P CB 1.210 32.093 31.700 -1.361 0.000 0.955 54 N N -0.179 118.490 118.700 -0.050 0.000 2.118 54 N HA 0.090 4.790 4.740 -0.067 0.000 0.226 54 N C -0.152 175.510 175.510 0.253 0.000 1.305 54 N CA 0.207 53.383 53.050 0.211 0.000 0.890 54 N CB 0.952 39.648 38.487 0.348 0.000 1.118 54 N HN 0.353 nan 8.380 nan 0.000 0.511 55 T N -0.389 114.312 114.554 0.245 0.000 2.916 55 T HA 0.428 4.738 4.350 -0.067 0.000 0.292 55 T C 0.862 175.731 174.700 0.283 0.000 1.064 55 T CA -0.474 61.763 62.100 0.229 0.000 1.011 55 T CB 3.435 72.434 68.868 0.218 0.000 1.152 55 T HN -0.107 nan 8.240 nan 0.000 0.510 56 R N 0.156 120.760 120.500 0.173 0.000 2.342 56 R HA 0.333 4.633 4.340 -0.067 0.000 0.179 56 R C -0.119 176.255 176.300 0.123 0.000 0.989 56 R CA 0.204 56.399 56.100 0.157 0.000 1.125 56 R CB 0.625 30.940 30.300 0.024 0.000 1.211 56 R HN 0.691 nan 8.270 nan 0.000 0.568 57 E N 0.504 120.750 120.200 0.076 0.000 2.335 57 E HA 0.267 4.577 4.350 -0.067 0.000 0.280 57 E C -2.111 174.508 176.600 0.032 0.000 0.918 57 E CA -0.507 55.928 56.400 0.058 0.000 0.765 57 E CB 2.071 31.790 29.700 0.031 0.000 1.218 57 E HN 0.114 nan 8.360 nan 0.000 0.425 58 L N 4.784 126.031 121.223 0.039 0.000 2.441 58 L HA 0.458 4.758 4.340 -0.067 0.000 0.270 58 L C -1.204 175.655 176.870 -0.018 0.000 0.973 58 L CA 0.009 54.843 54.840 -0.009 0.000 0.842 58 L CB 1.146 43.222 42.059 0.028 0.000 1.239 58 L HN 0.741 nan 8.230 nan 0.000 0.406 59 Q N 2.852 122.583 119.800 -0.116 0.000 2.814 59 Q HA 0.563 4.863 4.340 -0.067 0.000 0.322 59 Q C -1.714 174.131 176.000 -0.257 0.000 0.888 59 Q CA -0.927 54.835 55.803 -0.068 0.000 0.768 59 Q CB 1.786 30.539 28.738 0.025 0.000 1.443 59 Q HN 0.419 nan 8.270 nan 0.000 0.497 60 F N -0.006 119.959 119.950 0.024 0.000 2.507 60 F HA 0.845 5.332 4.527 -0.066 0.000 0.327 60 F C -0.265 175.516 175.800 -0.032 0.000 1.068 60 F CA -0.629 57.374 58.000 0.004 0.000 0.965 60 F CB 2.435 41.420 39.000 -0.024 0.000 1.192 60 F HN 0.736 nan 8.300 nan 0.000 0.476 61 A N 1.685 124.620 122.820 0.190 0.000 2.371 61 A HA 0.758 5.038 4.320 -0.067 0.000 0.311 61 A C -1.630 176.021 177.584 0.110 0.000 1.068 61 A CA -0.795 51.317 52.037 0.125 0.000 0.744 61 A CB 1.719 20.830 19.000 0.185 0.000 1.239 61 A HN 0.686 nan 8.150 nan 0.000 0.435 62 V N 1.831 121.694 119.914 -0.086 0.000 2.656 62 V HA 0.857 4.937 4.120 -0.067 0.000 0.307 62 V C -0.294 175.797 176.094 -0.005 0.000 1.051 62 V CA 0.090 62.244 62.300 -0.242 0.000 0.893 62 V CB 1.925 33.173 31.823 -0.959 0.000 0.999 62 V HN 1.335 nan 8.190 nan 0.000 0.426 63 S N 2.877 118.690 115.700 0.187 0.000 2.599 63 S HA 0.568 4.998 4.470 -0.067 0.000 0.294 63 S C -0.108 174.684 174.600 0.320 0.000 1.094 63 S CA 0.013 58.367 58.200 0.256 0.000 0.931 63 S CB 1.967 65.330 63.200 0.272 0.000 1.093 63 S HN 1.017 nan 8.310 nan 0.000 0.488 64 D N 0.899 121.456 120.400 0.261 0.000 2.369 64 D HA 0.280 4.880 4.640 -0.067 0.000 0.211 64 D C 1.256 177.585 176.300 0.048 0.000 1.077 64 D CA 0.674 54.755 54.000 0.135 0.000 0.842 64 D CB -0.032 40.862 40.800 0.156 0.000 0.947 64 D HN 1.040 nan 8.370 nan 0.000 0.509 65 G N -0.708 108.148 108.800 0.092 0.000 2.232 65 G HA2 -0.289 3.631 3.960 -0.067 0.000 0.226 65 G HA3 -0.289 3.631 3.960 -0.067 0.000 0.226 65 G C 1.072 175.997 174.900 0.042 0.000 0.996 65 G CA 0.529 45.665 45.100 0.060 0.000 0.626 65 G HN 0.408 nan 8.290 nan 0.000 0.509 66 T N -0.541 114.042 114.554 0.050 0.000 3.115 66 T HA 0.446 4.756 4.350 -0.067 0.000 0.256 66 T C 0.763 175.486 174.700 0.039 0.000 0.970 66 T CA 1.089 63.208 62.100 0.033 0.000 1.010 66 T CB 0.659 69.546 68.868 0.032 0.000 1.151 66 T HN 0.443 nan 8.240 nan 0.000 0.479 67 S N 0.872 116.620 115.700 0.080 0.000 2.536 67 S HA 0.857 5.287 4.470 -0.067 0.000 0.298 67 S C -0.730 173.959 174.600 0.148 0.000 1.083 67 S CA -0.826 57.434 58.200 0.100 0.000 0.995 67 S CB 1.968 65.247 63.200 0.132 0.000 1.058 67 S HN 0.589 nan 8.310 nan 0.000 0.488 68 A N 1.917 124.835 122.820 0.164 0.000 2.435 68 A HA 0.806 5.086 4.320 -0.067 0.000 0.304 68 A C -1.061 176.808 177.584 0.475 0.000 1.064 68 A CA -0.747 51.446 52.037 0.261 0.000 0.727 68 A CB 1.358 20.470 19.000 0.186 0.000 1.284 68 A HN 0.734 nan 8.150 nan 0.000 0.415 69 Q N 0.307 120.351 119.800 0.406 0.000 2.451 69 Q HA 0.537 4.837 4.340 -0.067 0.000 0.281 69 Q C -1.035 174.972 176.000 0.012 0.000 1.099 69 Q CA -0.837 55.157 55.803 0.319 0.000 0.806 69 Q CB 2.863 31.837 28.738 0.394 0.000 1.419 69 Q HN 0.738 nan 8.270 nan 0.000 0.427 70 R N 0.839 121.176 120.500 -0.271 0.000 2.664 70 R HA 0.128 4.428 4.340 -0.067 0.000 0.286 70 R C 0.781 177.061 176.300 -0.033 0.000 0.967 70 R CA -0.297 55.604 56.100 -0.331 0.000 0.933 70 R CB 1.174 31.028 30.300 -0.743 0.000 1.146 70 R HN 0.797 nan 8.270 nan 0.000 0.468 71 E N 0.647 120.888 120.200 0.069 0.000 2.274 71 E HA -0.140 4.170 4.350 -0.067 0.000 0.194 71 E C 0.967 177.614 176.600 0.079 0.000 0.996 71 E CA 1.373 57.877 56.400 0.173 0.000 0.840 71 E CB 0.081 29.924 29.700 0.238 0.000 0.772 71 E HN 0.552 nan 8.360 nan 0.000 0.491 72 S N 0.566 116.266 115.700 0.001 0.000 2.547 72 S HA -0.102 4.328 4.470 -0.067 0.000 0.235 72 S C 1.369 175.954 174.600 -0.025 0.000 0.980 72 S CA 0.904 59.094 58.200 -0.017 0.000 0.941 72 S CB -0.137 63.026 63.200 -0.061 0.000 0.763 72 S HN 0.387 nan 8.310 nan 0.000 0.532 73 E N 0.029 120.213 120.200 -0.028 0.000 2.498 73 E HA 0.154 4.464 4.350 -0.067 0.000 0.203 73 E C -0.291 176.323 176.600 0.023 0.000 1.013 73 E CA -0.209 56.186 56.400 -0.009 0.000 0.927 73 E CB 0.237 29.924 29.700 -0.022 0.000 1.012 73 E HN 0.375 nan 8.360 nan 0.000 0.482 74 Q N 1.233 121.057 119.800 0.040 0.000 2.296 74 Q HA 0.017 4.317 4.340 -0.067 0.000 0.263 74 Q C 1.157 177.155 176.000 -0.005 0.000 1.026 74 Q CA 0.258 56.071 55.803 0.017 0.000 0.912 74 Q CB 1.030 29.782 28.738 0.022 0.000 1.198 74 Q HN 0.279 nan 8.270 nan 0.000 0.407 75 T N -1.308 113.235 114.554 -0.019 0.000 2.822 75 T HA -0.134 4.176 4.350 -0.067 0.000 0.270 75 T C 0.989 175.674 174.700 -0.025 0.000 1.064 75 T CA 1.488 63.575 62.100 -0.021 0.000 1.131 75 T CB 0.024 68.876 68.868 -0.026 0.000 0.858 75 T HN 0.411 nan 8.240 nan 0.000 0.483 76 T N 2.829 117.359 114.554 -0.040 0.000 2.853 76 T HA 0.511 4.821 4.350 -0.067 0.000 0.317 76 T C -0.599 174.085 174.700 -0.027 0.000 1.059 76 T CA -1.076 60.999 62.100 -0.041 0.000 0.954 76 T CB -0.072 68.757 68.868 -0.066 0.000 0.994 76 T HN 0.719 nan 8.240 nan 0.000 0.479 77 R N 1.760 122.258 120.500 -0.003 0.000 2.604 77 R HA 0.684 4.984 4.340 -0.067 0.000 0.270 77 R C -1.039 175.277 176.300 0.026 0.000 1.052 77 R CA -1.021 55.092 56.100 0.021 0.000 0.902 77 R CB 1.133 31.460 30.300 0.045 0.000 1.233 77 R HN 0.517 nan 8.270 nan 0.000 0.455 78 T N -1.219 113.359 114.554 0.040 0.000 2.930 78 T HA 0.722 5.032 4.350 -0.067 0.000 0.290 78 T C -0.438 174.307 174.700 0.075 0.000 1.052 78 T CA -0.808 61.319 62.100 0.045 0.000 1.017 78 T CB 1.968 70.859 68.868 0.038 0.000 1.137 78 T HN 0.325 nan 8.240 nan 0.000 0.511 79 V N 1.804 121.765 119.914 0.078 0.000 2.789 79 V HA 0.746 4.826 4.120 -0.067 0.000 0.311 79 V C -0.873 175.309 176.094 0.148 0.000 1.073 79 V CA -0.873 61.500 62.300 0.122 0.000 0.921 79 V CB 1.641 33.513 31.823 0.081 0.000 1.009 79 V HN 1.171 nan 8.190 nan 0.000 0.426 80 E N 4.066 124.406 120.200 0.234 0.000 2.380 80 E HA 0.499 4.809 4.350 -0.067 0.000 0.281 80 E C -1.150 175.631 176.600 0.302 0.000 0.999 80 E CA -1.109 55.433 56.400 0.237 0.000 0.800 80 E CB 2.305 32.094 29.700 0.147 0.000 1.228 80 E HN 0.662 nan 8.360 nan 0.000 0.436 81 L N -0.448 120.925 121.223 0.250 0.000 2.367 81 L HA 0.641 4.941 4.340 -0.067 0.000 0.275 81 L C 0.740 177.594 176.870 -0.027 0.000 1.129 81 L CA -0.391 54.392 54.840 -0.096 0.000 0.839 81 L CB 1.018 42.962 42.059 -0.191 0.000 1.133 81 L HN 0.817 nan 8.230 nan 0.000 0.453 82 A N 2.282 125.068 122.820 -0.057 0.000 2.167 82 A HA 0.006 4.286 4.320 -0.067 0.000 0.214 82 A C 0.536 178.125 177.584 0.008 0.000 1.151 82 A CA 0.739 52.787 52.037 0.018 0.000 0.735 82 A CB -0.302 18.735 19.000 0.062 0.000 0.802 82 A HN 0.915 nan 8.150 nan 0.000 0.467 83 D N -1.524 118.854 120.400 -0.036 0.000 2.890 83 D HA 0.210 4.810 4.640 -0.067 0.000 0.233 83 D C -2.529 173.735 176.300 -0.060 0.000 1.306 83 D CA -1.230 52.758 54.000 -0.019 0.000 0.929 83 D CB 1.926 42.734 40.800 0.014 0.000 1.512 83 D HN -0.091 nan 8.370 nan 0.000 0.568 84 P HA -0.051 nan 4.420 nan 0.000 0.231 84 P C 0.419 177.668 177.300 -0.085 0.000 1.158 84 P CA 0.529 63.583 63.100 -0.078 0.000 0.763 84 P CB 0.480 32.152 31.700 -0.046 0.000 0.805 85 K N -0.890 119.480 120.400 -0.049 0.000 2.592 85 K HA 0.530 4.810 4.320 -0.067 0.000 0.203 85 K C 0.214 176.812 176.600 -0.004 0.000 1.070 85 K CA -0.234 56.043 56.287 -0.017 0.000 1.062 85 K CB 1.821 34.338 32.500 0.029 0.000 0.814 85 K HN 0.040 nan 8.250 nan 0.000 0.502 86 A N 0.558 123.325 122.820 -0.089 0.000 2.594 86 A HA 0.550 4.830 4.320 -0.067 0.000 0.295 86 A C -0.910 176.510 177.584 -0.273 0.000 1.071 86 A CA -0.673 51.276 52.037 -0.145 0.000 0.685 86 A CB 0.897 19.936 19.000 0.065 0.000 1.285 86 A HN 0.180 nan 8.150 nan 0.000 0.405 87 L N 2.182 123.142 121.223 -0.439 0.000 2.480 87 L HA 0.324 4.624 4.340 -0.067 0.000 0.243 87 L C 0.557 177.555 176.870 0.214 0.000 1.315 87 L CA 0.099 54.809 54.840 -0.216 0.000 1.231 87 L CB -0.010 41.879 42.059 -0.284 0.000 1.444 87 L HN 0.573 nan 8.230 nan 0.000 0.409 88 S N 0.907 116.609 115.700 0.003 0.000 2.605 88 S HA 0.598 5.028 4.470 -0.067 0.000 0.308 88 S C -0.928 173.594 174.600 -0.130 0.000 1.113 88 S CA -0.358 57.949 58.200 0.177 0.000 1.049 88 S CB 0.733 64.068 63.200 0.225 0.000 1.001 88 S HN 0.246 nan 8.310 nan 0.000 0.480 89 Y N 2.262 122.770 120.300 0.347 0.000 2.509 89 Y HA 0.624 5.135 4.550 -0.067 0.000 0.341 89 Y C 0.453 176.539 175.900 0.309 0.000 1.038 89 Y CA -0.942 57.333 58.100 0.292 0.000 1.089 89 Y CB 1.499 40.124 38.460 0.275 0.000 1.241 89 Y HN 0.628 nan 8.280 nan 0.000 0.468 90 R N 2.200 122.928 120.500 0.379 0.000 2.451 90 R HA 0.401 4.701 4.340 -0.067 0.000 0.307 90 R C -1.514 174.937 176.300 0.252 0.000 0.965 90 R CA -0.528 55.730 56.100 0.263 0.000 0.865 90 R CB 0.940 31.330 30.300 0.149 0.000 1.174 90 R HN 0.785 nan 8.270 nan 0.000 0.455 91 Q N 1.946 121.902 119.800 0.260 0.000 2.245 91 Q HA 0.367 4.667 4.340 -0.067 0.000 0.256 91 Q C -0.917 175.164 176.000 0.135 0.000 0.942 91 Q CA -0.662 55.269 55.803 0.213 0.000 0.896 91 Q CB 2.649 31.557 28.738 0.283 0.000 1.272 91 Q HN 0.508 nan 8.270 nan 0.000 0.442 92 T N 1.651 116.268 114.554 0.105 0.000 2.841 92 T HA 0.451 4.761 4.350 -0.067 0.000 0.285 92 T C -0.742 174.003 174.700 0.074 0.000 0.991 92 T CA -0.578 61.566 62.100 0.073 0.000 0.966 92 T CB 1.514 70.409 68.868 0.046 0.000 0.962 92 T HN 0.409 nan 8.240 nan 0.000 0.438 93 T N 2.958 117.567 114.554 0.092 0.000 2.824 93 T HA 0.628 4.938 4.350 -0.067 0.000 0.282 93 T C -0.376 174.343 174.700 0.032 0.000 0.993 93 T CA -0.632 61.527 62.100 0.099 0.000 0.967 93 T CB 1.460 70.451 68.868 0.205 0.000 0.960 93 T HN 0.525 nan 8.240 nan 0.000 0.441 94 T N 2.367 116.863 114.554 -0.096 0.000 2.824 94 T HA 0.362 4.671 4.350 -0.067 0.000 0.282 94 T C -0.356 174.049 174.700 -0.491 0.000 0.993 94 T CA -0.778 61.147 62.100 -0.291 0.000 0.967 94 T CB 1.641 70.386 68.868 -0.204 0.000 0.960 94 T HN 0.652 nan 8.240 nan 0.000 0.441 95 D N 1.901 121.688 120.400 -1.022 0.000 2.488 95 D HA -0.002 4.598 4.640 -0.067 0.000 0.238 95 D C 1.275 177.262 176.300 -0.520 0.000 1.138 95 D CA 0.156 53.451 54.000 -1.175 0.000 0.873 95 D CB 0.612 40.380 40.800 -1.721 0.000 1.183 95 D HN 0.293 nan 8.370 nan 0.000 0.458 96 N N 2.808 121.313 118.700 -0.325 0.000 2.430 96 N HA -0.160 4.540 4.740 -0.067 0.000 0.186 96 N C 0.535 175.958 175.510 -0.144 0.000 1.032 96 N CA 1.084 54.034 53.050 -0.167 0.000 0.893 96 N CB -0.032 38.407 38.487 -0.080 0.000 0.957 96 N HN 0.481 nan 8.380 nan 0.000 0.442 97 A N -0.435 122.278 122.820 -0.179 0.000 2.574 97 A HA 0.488 4.768 4.320 -0.067 0.000 0.283 97 A C 1.253 178.751 177.584 -0.143 0.000 1.270 97 A CA 0.189 52.160 52.037 -0.109 0.000 0.945 97 A CB -0.230 18.748 19.000 -0.036 0.000 1.127 97 A HN 0.158 nan 8.150 nan 0.000 0.522 98 G N 0.533 109.193 108.800 -0.233 0.000 2.361 98 G HA2 -0.344 3.576 3.960 -0.067 0.000 0.294 98 G HA3 -0.344 3.576 3.960 -0.067 0.000 0.294 98 G C 0.974 175.756 174.900 -0.196 0.000 1.004 98 G CA 1.074 46.035 45.100 -0.232 0.000 0.870 98 G HN 0.662 nan 8.290 nan 0.000 0.510 99 R N -1.935 118.433 120.500 -0.220 0.000 2.161 99 R HA 0.250 4.550 4.340 -0.067 0.000 0.213 99 R C 1.076 177.322 176.300 -0.090 0.000 1.055 99 R CA 1.238 57.298 56.100 -0.067 0.000 0.996 99 R CB 0.172 30.528 30.300 0.094 0.000 0.901 99 R HN 0.758 nan 8.270 nan 0.000 0.456 100 W N -0.505 120.654 121.300 -0.234 0.000 3.042 100 W HA 0.542 5.162 4.660 -0.067 0.000 0.342 100 W C -1.712 174.687 176.519 -0.199 0.000 1.240 100 W CA -1.492 55.655 57.345 -0.331 0.000 1.166 100 W CB 0.905 30.113 29.460 -0.420 0.000 1.469 100 W HN -0.362 nan 8.180 nan 0.000 0.579 101 R N 2.797 123.326 120.500 0.050 0.000 2.548 101 R HA 0.623 4.923 4.340 -0.067 0.000 0.280 101 R C -2.142 174.306 176.300 0.247 0.000 1.061 101 R CA -0.764 55.373 56.100 0.062 0.000 0.915 101 R CB 1.770 32.030 30.300 -0.066 0.000 1.210 101 R HN 0.847 nan 8.270 nan 0.000 0.442 102 L N 2.974 124.384 121.223 0.312 0.000 2.329 102 L HA 0.549 4.849 4.340 -0.067 0.000 0.279 102 L C -0.763 176.152 176.870 0.074 0.000 1.014 102 L CA -0.533 54.444 54.840 0.228 0.000 0.814 102 L CB 2.507 44.705 42.059 0.231 0.000 1.257 102 L HN 0.696 nan 8.230 nan 0.000 0.424 103 T N 3.273 117.817 114.554 -0.016 0.000 2.840 103 T HA 0.432 4.742 4.350 -0.067 0.000 0.287 103 T C -0.801 173.816 174.700 -0.139 0.000 0.991 103 T CA -0.750 61.322 62.100 -0.046 0.000 0.964 103 T CB 1.336 70.177 68.868 -0.046 0.000 0.954 103 T HN 0.382 nan 8.240 nan 0.000 0.438 104 K N 2.214 122.552 120.400 -0.103 0.000 2.345 104 K HA 0.664 4.944 4.320 -0.067 0.000 0.255 104 K C -0.772 175.708 176.600 -0.201 0.000 0.934 104 K CA -0.857 55.291 56.287 -0.231 0.000 0.801 104 K CB 2.007 34.398 32.500 -0.182 0.000 1.137 104 K HN 0.407 nan 8.250 nan 0.000 0.424 105 T N 2.333 116.691 114.554 -0.326 0.000 2.809 105 T HA 0.354 4.664 4.350 -0.067 0.000 0.284 105 T C -1.009 173.565 174.700 -0.210 0.000 0.992 105 T CA -0.651 61.378 62.100 -0.118 0.000 0.957 105 T CB 0.258 69.123 68.868 -0.004 0.000 0.942 105 T HN 0.258 nan 8.240 nan 0.000 0.439 106 Y N 1.618 121.922 120.300 0.007 0.000 2.352 106 Y HA 0.752 5.262 4.550 -0.067 0.000 0.326 106 Y C 0.403 176.181 175.900 -0.204 0.000 1.166 106 Y CA -0.658 57.328 58.100 -0.190 0.000 1.182 106 Y CB 1.287 39.441 38.460 -0.511 0.000 1.216 106 Y HN 0.429 nan 8.280 nan 0.000 0.474 107 V N 0.719 120.496 119.914 -0.228 0.000 3.300 107 V HA 0.630 4.710 4.120 -0.067 0.000 0.289 107 V C -1.179 174.613 176.094 -0.504 0.000 1.533 107 V CA -0.483 61.481 62.300 -0.560 0.000 1.059 107 V CB 2.753 34.319 31.823 -0.429 0.000 1.161 107 V HN 0.927 nan 8.190 nan 0.000 0.462 108 T N -0.928 113.203 114.554 -0.704 0.000 2.896 108 T HA 0.540 4.850 4.350 -0.067 0.000 0.297 108 T C -1.200 173.451 174.700 -0.081 0.000 1.108 108 T CA -0.566 61.418 62.100 -0.194 0.000 1.004 108 T CB 1.738 70.624 68.868 0.030 0.000 1.159 108 T HN 0.676 nan 8.240 nan 0.000 0.499 109 D N 2.879 123.274 120.400 -0.009 0.000 2.344 109 D HA 0.240 4.840 4.640 -0.067 0.000 0.253 109 D C -1.022 175.300 176.300 0.037 0.000 1.255 109 D CA -2.288 51.719 54.000 0.011 0.000 0.894 109 D CB 1.464 42.270 40.800 0.009 0.000 1.067 109 D HN 0.269 nan 8.370 nan 0.000 0.492 110 P HA -0.132 nan 4.420 nan 0.000 0.221 110 P C 0.943 178.225 177.300 -0.030 0.000 1.145 110 P CA 0.823 63.930 63.100 0.012 0.000 0.795 110 P CB 0.458 32.154 31.700 -0.007 0.000 0.775 111 R N -0.613 119.877 120.500 -0.016 0.000 2.254 111 R HA 0.119 4.419 4.340 -0.067 0.000 0.195 111 R C 1.240 177.536 176.300 -0.007 0.000 0.957 111 R CA 0.332 56.421 56.100 -0.019 0.000 1.024 111 R CB 0.169 30.460 30.300 -0.014 0.000 0.952 111 R HN 0.329 nan 8.270 nan 0.000 0.484 112 R N -1.748 118.755 120.500 0.006 0.000 2.752 112 R HA 0.364 4.664 4.340 -0.067 0.000 0.271 112 R C -1.050 175.275 176.300 0.043 0.000 1.026 112 R CA -0.780 55.336 56.100 0.026 0.000 0.901 112 R CB 1.058 31.376 30.300 0.031 0.000 1.243 112 R HN -0.263 nan 8.270 nan 0.000 0.463 113 S N 1.079 116.828 115.700 0.081 0.000 3.900 113 S HA 0.164 4.594 4.470 -0.067 0.000 0.248 113 S C -0.801 173.890 174.600 0.152 0.000 1.310 113 S CA 0.019 58.288 58.200 0.115 0.000 0.915 113 S CB -0.211 63.113 63.200 0.206 0.000 1.588 113 S HN 0.450 nan 8.310 nan 0.000 0.472 114 T N 1.860 116.487 114.554 0.122 0.000 2.971 114 T HA 0.358 4.668 4.350 -0.067 0.000 0.304 114 T C -0.379 174.398 174.700 0.128 0.000 1.038 114 T CA -0.529 61.659 62.100 0.147 0.000 1.007 114 T CB 1.562 70.479 68.868 0.082 0.000 1.055 114 T HN 0.134 nan 8.240 nan 0.000 0.451 115 V N 4.570 124.593 119.914 0.182 0.000 2.394 115 V HA 0.525 4.605 4.120 -0.067 0.000 0.282 115 V C -0.069 176.073 176.094 0.080 0.000 1.031 115 V CA -0.545 61.833 62.300 0.130 0.000 0.881 115 V CB 1.231 33.182 31.823 0.214 0.000 0.982 115 V HN 0.824 nan 8.190 nan 0.000 0.451 116 M N 5.337 124.948 119.600 0.019 0.000 2.528 116 M HA 0.605 5.045 4.480 -0.067 0.000 0.321 116 M C -1.107 175.201 176.300 0.013 0.000 1.153 116 M CA -0.555 54.777 55.300 0.054 0.000 0.951 116 M CB 2.441 35.106 32.600 0.109 0.000 1.705 116 M HN 0.422 nan 8.290 nan 0.000 0.451 117 L N 1.000 122.180 121.223 -0.071 0.000 2.381 117 L HA 0.673 4.973 4.340 -0.067 0.000 0.274 117 L C -0.177 176.348 176.870 -0.574 0.000 0.988 117 L CA -0.474 54.166 54.840 -0.333 0.000 0.824 117 L CB 1.950 43.816 42.059 -0.322 0.000 1.263 117 L HN 0.856 nan 8.230 nan 0.000 0.410 118 G N 4.130 112.369 108.800 -0.934 0.000 2.377 118 G HA2 0.543 4.463 3.960 -0.067 0.000 0.316 118 G HA3 0.543 4.463 3.960 -0.067 0.000 0.316 118 G C -0.906 173.515 174.900 -0.799 0.000 1.115 118 G CA -0.214 44.088 45.100 -1.329 0.000 0.952 118 G HN 0.321 nan 8.290 nan 0.000 0.441 119 V N 1.909 121.318 119.914 -0.842 0.000 2.628 119 V HA 0.700 4.780 4.120 -0.067 0.000 0.306 119 V C 0.063 175.799 176.094 -0.596 0.000 1.045 119 V CA -0.627 61.188 62.300 -0.807 0.000 0.905 119 V CB 2.217 33.282 31.823 -1.263 0.000 0.997 119 V HN 0.692 nan 8.190 nan 0.000 0.436 120 T N 4.336 118.696 114.554 -0.323 0.000 2.881 120 T HA 0.499 4.809 4.350 -0.067 0.000 0.291 120 T C -1.062 173.657 174.700 0.032 0.000 0.990 120 T CA -0.153 61.879 62.100 -0.113 0.000 0.976 120 T CB 0.967 69.779 68.868 -0.093 0.000 0.970 120 T HN 0.503 nan 8.240 nan 0.000 0.438 121 F N 2.911 122.837 119.950 -0.040 0.000 2.426 121 F HA 0.526 5.013 4.527 -0.067 0.000 0.348 121 F C -0.095 175.713 175.800 0.013 0.000 1.124 121 F CA -0.681 57.307 58.000 -0.019 0.000 1.008 121 F CB 0.939 39.933 39.000 -0.011 0.000 1.139 121 F HN 0.479 nan 8.300 nan 0.000 0.452 122 E N 5.271 125.156 120.200 -0.525 0.000 2.176 122 E HA 0.394 4.704 4.350 -0.067 0.000 0.267 122 E C -1.248 174.998 176.600 -0.590 0.000 0.893 122 E CA -0.987 55.155 56.400 -0.431 0.000 0.761 122 E CB 2.655 32.237 29.700 -0.197 0.000 1.133 122 E HN 0.331 nan 8.360 nan 0.000 0.409 123 V N 4.989 124.646 119.914 -0.428 0.000 2.383 123 V HA 0.124 4.204 4.120 -0.067 0.000 0.275 123 V C 0.671 176.715 176.094 -0.084 0.000 1.036 123 V CA -0.203 61.954 62.300 -0.239 0.000 0.889 123 V CB 0.836 32.649 31.823 -0.016 0.000 0.985 123 V HN 0.712 nan 8.190 nan 0.000 0.459 124 L N 2.655 123.849 121.223 -0.050 0.000 2.667 124 L HA 0.331 4.631 4.340 -0.067 0.000 0.232 124 L C 0.445 177.338 176.870 0.039 0.000 1.138 124 L CA 0.110 54.937 54.840 -0.022 0.000 0.921 124 L CB -0.046 41.980 42.059 -0.056 0.000 1.180 124 L HN 0.551 nan 8.230 nan 0.000 0.487 125 D N -0.098 120.374 120.400 0.120 0.000 2.541 125 D HA 0.265 4.864 4.640 -0.067 0.000 0.276 125 D C 1.352 177.727 176.300 0.124 0.000 1.190 125 D CA 0.270 54.369 54.000 0.165 0.000 1.095 125 D CB 0.674 41.679 40.800 0.342 0.000 1.173 125 D HN -0.086 nan 8.370 nan 0.000 0.604 126 G N -1.593 107.269 108.800 0.104 0.000 2.534 126 G HA2 0.376 4.296 3.960 -0.067 0.000 0.217 126 G HA3 0.376 4.296 3.960 -0.067 0.000 0.217 126 G C 0.759 175.691 174.900 0.054 0.000 1.128 126 G CA 0.876 46.008 45.100 0.054 0.000 0.784 126 G HN 0.775 nan 8.290 nan 0.000 0.542 127 G N -0.259 108.600 108.800 0.099 0.000 2.396 127 G HA2 0.157 4.077 3.960 -0.067 0.000 0.254 127 G HA3 0.157 4.077 3.960 -0.067 0.000 0.254 127 G C -0.713 174.104 174.900 -0.138 0.000 1.248 127 G CA -0.077 45.081 45.100 0.097 0.000 1.033 127 G HN 0.739 nan 8.290 nan 0.000 0.502 128 D N -1.339 119.004 120.400 -0.095 0.000 3.061 128 D HA -0.106 4.494 4.640 -0.067 0.000 0.252 128 D C -0.758 175.310 176.300 -0.387 0.000 1.080 128 D CA 1.711 55.595 54.000 -0.194 0.000 0.871 128 D CB -1.406 39.269 40.800 -0.209 0.000 1.018 128 D HN 0.657 nan 8.370 nan 0.000 0.425 129 Y N -0.350 120.000 120.300 0.083 0.000 2.545 129 Y HA 0.490 5.000 4.550 -0.067 0.000 0.348 129 Y C 0.545 176.460 175.900 0.025 0.000 1.002 129 Y CA -0.801 57.356 58.100 0.096 0.000 1.039 129 Y CB 1.527 40.103 38.460 0.193 0.000 1.271 129 Y HN -0.156 nan 8.280 nan 0.000 0.467 130 Q N 1.928 121.816 119.800 0.147 0.000 2.312 130 Q HA 0.646 4.946 4.340 -0.067 0.000 0.263 130 Q C -1.683 174.134 176.000 -0.305 0.000 0.995 130 Q CA -0.718 55.012 55.803 -0.121 0.000 0.853 130 Q CB 2.696 31.412 28.738 -0.036 0.000 1.300 130 Q HN 0.528 nan 8.270 nan 0.000 0.448 131 L N 2.594 123.430 121.223 -0.645 0.000 2.346 131 L HA 0.742 5.042 4.340 -0.067 0.000 0.276 131 L C -1.830 174.637 176.870 -0.672 0.000 1.006 131 L CA -0.267 54.205 54.840 -0.614 0.000 0.817 131 L CB 0.857 42.445 42.059 -0.785 0.000 1.272 131 L HN 0.539 nan 8.230 nan 0.000 0.421 132 F N 3.702 123.642 119.950 -0.017 0.000 2.578 132 F HA 0.611 5.099 4.527 -0.067 0.000 0.311 132 F C -0.314 175.496 175.800 0.017 0.000 1.094 132 F CA -1.035 56.975 58.000 0.018 0.000 0.923 132 F CB 1.898 40.887 39.000 -0.018 0.000 1.230 132 F HN 0.097 nan 8.300 nan 0.000 0.450 133 V N 3.691 123.655 119.914 0.083 0.000 2.509 133 V HA 0.393 4.473 4.120 -0.067 0.000 0.284 133 V C -0.125 175.860 176.094 -0.181 0.000 1.047 133 V CA -0.681 61.439 62.300 -0.299 0.000 0.952 133 V CB 1.460 33.129 31.823 -0.255 0.000 0.988 133 V HN 0.546 nan 8.190 nan 0.000 0.469 134 L N 3.833 124.916 121.223 -0.233 0.000 2.319 134 L HA 0.520 4.820 4.340 -0.067 0.000 0.281 134 L C 0.010 176.800 176.870 -0.133 0.000 1.005 134 L CA 0.032 54.795 54.840 -0.128 0.000 0.828 134 L CB 1.731 43.746 42.059 -0.073 0.000 1.227 134 L HN 0.686 nan 8.230 nan 0.000 0.415 135 S N 1.997 117.630 115.700 -0.111 0.000 2.669 135 S HA 0.267 4.697 4.470 -0.067 0.000 0.315 135 S C -0.981 173.581 174.600 -0.063 0.000 1.106 135 S CA -0.614 57.535 58.200 -0.084 0.000 1.107 135 S CB 0.703 63.846 63.200 -0.094 0.000 0.990 135 S HN 0.558 nan 8.310 nan 0.000 0.471 136 D N 6.017 126.396 120.400 -0.036 0.000 2.473 136 D HA 0.448 5.048 4.640 -0.067 0.000 0.226 136 D C -2.321 173.972 176.300 -0.012 0.000 1.089 136 D CA -1.826 52.155 54.000 -0.031 0.000 0.883 136 D CB 1.521 42.308 40.800 -0.022 0.000 1.029 136 D HN 0.285 nan 8.370 nan 0.000 0.517 137 P HA 0.293 nan 4.420 nan 0.000 0.281 137 P C -0.564 176.736 177.300 0.001 0.000 1.264 137 P CA -0.692 62.417 63.100 0.015 0.000 0.824 137 P CB 1.285 32.983 31.700 -0.002 0.000 1.092 138 S N 0.258 115.988 115.700 0.050 0.000 2.569 138 S HA 0.253 4.683 4.470 -0.067 0.000 0.215 138 S C 0.223 174.907 174.600 0.140 0.000 1.096 138 S CA -0.435 57.773 58.200 0.014 0.000 1.183 138 S CB -0.663 62.446 63.200 -0.151 0.000 1.324 138 S HN 0.295 nan 8.310 nan 0.000 0.421 139 L N 1.985 123.278 121.223 0.116 0.000 2.615 139 L HA 0.030 4.330 4.340 -0.067 0.000 0.284 139 L C 1.203 178.178 176.870 0.175 0.000 1.237 139 L CA 0.357 55.291 54.840 0.156 0.000 0.905 139 L CB -0.166 41.957 42.059 0.107 0.000 1.149 139 L HN 0.630 nan 8.230 nan 0.000 0.499 140 A N 2.938 125.890 122.820 0.220 0.000 2.925 140 A HA -0.072 4.208 4.320 -0.067 0.000 0.265 140 A C 1.281 179.035 177.584 0.282 0.000 1.419 140 A CA 0.960 53.141 52.037 0.241 0.000 0.807 140 A CB -2.099 17.042 19.000 0.235 0.000 1.043 140 A HN 1.914 nan 8.150 nan 0.000 0.600 141 G N -2.403 106.568 108.800 0.285 0.000 2.153 141 G HA2 0.152 4.072 3.960 -0.067 0.000 0.252 141 G HA3 0.152 4.072 3.960 -0.067 0.000 0.252 141 G C 0.753 175.890 174.900 0.395 0.000 0.994 141 G CA 1.540 46.879 45.100 0.398 0.000 0.698 141 G HN 2.986 nan 8.290 nan 0.000 0.521 142 T N -3.264 111.401 114.554 0.184 0.000 2.971 142 T HA 0.683 4.993 4.350 -0.067 0.000 0.304 142 T C 1.067 175.723 174.700 -0.075 0.000 1.038 142 T CA 0.552 62.646 62.100 -0.010 0.000 1.007 142 T CB 1.648 70.434 68.868 -0.136 0.000 1.055 142 T HN 0.932 nan 8.240 nan 0.000 0.451 143 S N 1.633 117.216 115.700 -0.195 0.000 2.489 143 S HA 0.275 4.705 4.470 -0.067 0.000 0.228 143 S C 1.196 175.738 174.600 -0.097 0.000 0.995 143 S CA 0.135 58.214 58.200 -0.202 0.000 0.934 143 S CB -0.395 62.629 63.200 -0.293 0.000 0.771 143 S HN 1.163 nan 8.310 nan 0.000 0.522 144 G N -0.434 108.324 108.800 -0.070 0.000 2.557 144 G HA2 0.485 4.405 3.960 -0.067 0.000 0.302 144 G HA3 0.485 4.405 3.960 -0.067 0.000 0.302 144 G C 0.817 175.713 174.900 -0.007 0.000 1.311 144 G CA -0.396 44.689 45.100 -0.026 0.000 1.030 144 G HN 1.114 nan 8.290 nan 0.000 0.509 145 G N -0.854 107.956 108.800 0.015 0.000 2.168 145 G HA2 -0.204 3.716 3.960 -0.067 0.000 0.257 145 G HA3 -0.204 3.716 3.960 -0.067 0.000 0.257 145 G C -0.126 174.790 174.900 0.026 0.000 0.997 145 G CA 0.621 45.736 45.100 0.026 0.000 0.708 145 G HN 0.706 nan 8.290 nan 0.000 0.520 146 D N -0.035 120.374 120.400 0.015 0.000 2.181 146 D HA 0.683 5.283 4.640 -0.067 0.000 0.248 146 D C 0.127 176.416 176.300 -0.019 0.000 1.020 146 D CA 0.184 54.183 54.000 -0.001 0.000 0.891 146 D CB 1.461 42.251 40.800 -0.017 0.000 1.187 146 D HN 0.017 nan 8.370 nan 0.000 0.443 147 T N 0.485 115.021 114.554 -0.029 0.000 2.881 147 T HA 0.663 4.973 4.350 -0.067 0.000 0.291 147 T C 0.040 174.698 174.700 -0.070 0.000 0.990 147 T CA -0.886 61.185 62.100 -0.048 0.000 0.976 147 T CB 1.531 70.385 68.868 -0.022 0.000 0.970 147 T HN 0.350 nan 8.240 nan 0.000 0.438 148 G N 1.706 110.443 108.800 -0.105 0.000 2.388 148 G HA2 0.682 4.602 3.960 -0.067 0.000 0.330 148 G HA3 0.682 4.602 3.960 -0.067 0.000 0.330 148 G C -0.352 174.489 174.900 -0.097 0.000 1.142 148 G CA -0.543 44.492 45.100 -0.109 0.000 0.908 148 G HN 0.860 nan 8.290 nan 0.000 0.473 149 S N -0.663 114.987 115.700 -0.083 0.000 2.819 149 S HA 0.817 5.247 4.470 -0.067 0.000 0.299 149 S C -1.161 173.401 174.600 -0.064 0.000 1.192 149 S CA -0.733 57.427 58.200 -0.067 0.000 0.847 149 S CB 1.796 64.968 63.200 -0.047 0.000 1.224 149 S HN 0.849 nan 8.310 nan 0.000 0.537 150 V N 0.167 120.054 119.914 -0.045 0.000 3.007 150 V HA 0.909 4.989 4.120 -0.067 0.000 0.311 150 V C -0.893 175.192 176.094 -0.015 0.000 1.120 150 V CA -0.383 61.898 62.300 -0.032 0.000 0.980 150 V CB 1.972 33.775 31.823 -0.033 0.000 1.033 150 V HN 1.152 nan 8.190 nan 0.000 0.429 151 T N 1.463 116.017 114.554 -0.001 0.000 3.559 151 T HA 0.296 4.605 4.350 -0.067 0.000 0.391 151 T C -0.748 173.962 174.700 0.016 0.000 1.522 151 T CA -0.436 61.666 62.100 0.004 0.000 1.159 151 T CB 1.016 69.883 68.868 -0.002 0.000 1.384 151 T HN 1.016 nan 8.240 nan 0.000 0.475 152 D N 1.976 122.385 120.400 0.016 0.000 2.686 152 D HA -0.151 4.449 4.640 -0.067 0.000 0.235 152 D C 1.283 177.604 176.300 0.034 0.000 1.160 152 D CA 2.840 56.851 54.000 0.018 0.000 0.645 152 D CB -1.148 39.659 40.800 0.011 0.000 1.039 152 D HN 1.485 nan 8.370 nan 0.000 0.423 153 G N -1.774 107.058 108.800 0.053 0.000 2.168 153 G HA2 -0.045 3.875 3.960 -0.067 0.000 0.263 153 G HA3 -0.045 3.875 3.960 -0.067 0.000 0.263 153 G C 0.490 175.504 174.900 0.190 0.000 0.977 153 G CA 0.884 46.045 45.100 0.102 0.000 0.659 153 G HN 1.422 nan 8.290 nan 0.000 0.533 154 A N -0.631 122.267 122.820 0.131 0.000 2.311 154 A HA 0.864 5.143 4.320 -0.067 0.000 0.334 154 A C -0.034 177.596 177.584 0.076 0.000 1.139 154 A CA -0.666 51.467 52.037 0.160 0.000 0.830 154 A CB 1.091 20.139 19.000 0.080 0.000 1.234 154 A HN 0.715 nan 8.150 nan 0.000 0.483 155 L N 2.024 123.274 121.223 0.045 0.000 2.264 155 L HA 0.372 4.672 4.340 -0.067 0.000 0.287 155 L C -0.688 176.140 176.870 -0.071 0.000 1.039 155 L CA -0.063 54.732 54.840 -0.076 0.000 0.829 155 L CB 0.647 42.592 42.059 -0.190 0.000 1.211 155 L HN 0.575 nan 8.230 nan 0.000 0.427 156 L N 3.230 124.410 121.223 -0.072 0.000 2.387 156 L HA 0.923 5.223 4.340 -0.067 0.000 0.266 156 L C 0.108 176.923 176.870 -0.092 0.000 1.059 156 L CA -0.611 54.182 54.840 -0.078 0.000 0.801 156 L CB 1.625 43.650 42.059 -0.056 0.000 1.223 156 L HN 0.672 nan 8.230 nan 0.000 0.456 157 A N 0.916 123.679 122.820 -0.096 0.000 2.582 157 A HA 0.705 4.985 4.320 -0.067 0.000 0.297 157 A C -0.858 176.686 177.584 -0.066 0.000 1.059 157 A CA -0.289 51.697 52.037 -0.086 0.000 0.705 157 A CB 1.811 20.750 19.000 -0.102 0.000 1.279 157 A HN 0.706 nan 8.150 nan 0.000 0.404 158 S N 0.383 116.062 115.700 -0.034 0.000 2.638 158 S HA 0.856 5.286 4.470 -0.067 0.000 0.274 158 S C -1.790 172.823 174.600 0.023 0.000 1.157 158 S CA -0.318 57.881 58.200 -0.001 0.000 0.826 158 S CB 2.385 65.589 63.200 0.007 0.000 1.139 158 S HN 1.035 nan 8.310 nan 0.000 0.474 159 D N 1.085 121.517 120.400 0.054 0.000 2.634 159 D HA 0.196 4.796 4.640 -0.067 0.000 0.236 159 D C -0.683 175.671 176.300 0.090 0.000 1.323 159 D CA -0.295 53.747 54.000 0.069 0.000 0.884 159 D CB 0.612 41.462 40.800 0.083 0.000 1.496 159 D HN 0.370 nan 8.370 nan 0.000 0.525 160 L N 2.130 123.399 121.223 0.076 0.000 2.783 160 L HA 0.361 4.661 4.340 -0.067 0.000 0.236 160 L C 2.177 179.097 176.870 0.083 0.000 1.225 160 L CA 0.067 54.957 54.840 0.083 0.000 1.026 160 L CB -1.133 40.967 42.059 0.067 0.000 1.314 160 L HN 0.365 nan 8.230 nan 0.000 0.489 161 A N -0.103 122.771 122.820 0.090 0.000 1.940 161 A HA -0.197 4.083 4.320 -0.067 0.000 0.219 161 A C 0.972 178.618 177.584 0.102 0.000 1.176 161 A CA 1.091 53.183 52.037 0.091 0.000 0.631 161 A CB -0.362 18.696 19.000 0.097 0.000 0.814 161 A HN 0.416 nan 8.150 nan 0.000 0.446 162 D N -1.233 119.240 120.400 0.122 0.000 2.347 162 D HA 0.572 5.172 4.640 -0.067 0.000 0.235 162 D C 0.958 177.313 176.300 0.092 0.000 1.149 162 D CA 0.449 54.515 54.000 0.111 0.000 0.850 162 D CB 1.183 42.059 40.800 0.128 0.000 1.061 162 D HN 0.156 nan 8.370 nan 0.000 0.487 163 A N 3.902 126.768 122.820 0.076 0.000 1.978 163 A HA -0.051 4.229 4.320 -0.067 0.000 0.220 163 A C 2.093 179.721 177.584 0.073 0.000 1.170 163 A CA 1.784 53.862 52.037 0.069 0.000 0.636 163 A CB -0.602 18.433 19.000 0.058 0.000 0.810 163 A HN 0.649 nan 8.150 nan 0.000 0.448 164 A N -0.442 122.421 122.820 0.072 0.000 1.855 164 A HA 0.064 4.344 4.320 -0.067 0.000 0.215 164 A C 1.634 179.275 177.584 0.096 0.000 1.191 164 A CA 1.891 53.975 52.037 0.080 0.000 0.613 164 A CB -0.884 18.156 19.000 0.067 0.000 0.829 164 A HN 0.887 nan 8.150 nan 0.000 0.442 165 T N -1.278 113.334 114.554 0.097 0.000 3.250 165 T HA 0.536 4.846 4.350 -0.067 0.000 0.391 165 T C -2.921 171.850 174.700 0.118 0.000 1.502 165 T CA -1.863 60.295 62.100 0.097 0.000 1.320 165 T CB 1.320 70.251 68.868 0.105 0.000 1.102 165 T HN 0.220 nan 8.240 nan 0.000 0.610 166 P HA 0.474 nan 4.420 nan 0.000 0.279 166 P C -0.758 176.665 177.300 0.205 0.000 1.239 166 P CA -0.449 62.736 63.100 0.142 0.000 0.789 166 P CB 1.615 33.385 31.700 0.117 0.000 0.933 167 V N 2.089 122.128 119.914 0.208 0.000 2.709 167 V HA 0.781 4.861 4.120 -0.067 0.000 0.308 167 V C -0.083 176.100 176.094 0.149 0.000 1.062 167 V CA -0.669 61.796 62.300 0.274 0.000 0.901 167 V CB 1.722 33.737 31.823 0.320 0.000 1.003 167 V HN 0.889 nan 8.190 nan 0.000 0.425 168 A N 2.803 125.675 122.820 0.086 0.000 2.549 168 A HA 0.986 5.266 4.320 -0.067 0.000 0.297 168 A C -0.394 177.065 177.584 -0.207 0.000 1.061 168 A CA -0.162 51.854 52.037 -0.036 0.000 0.690 168 A CB 2.280 21.273 19.000 -0.012 0.000 1.287 168 A HN 1.053 nan 8.150 nan 0.000 0.402 169 T N -1.610 112.776 114.554 -0.279 0.000 2.887 169 T HA 0.921 5.231 4.350 -0.067 0.000 0.292 169 T C -0.465 174.062 174.700 -0.288 0.000 1.087 169 T CA -0.254 61.554 62.100 -0.486 0.000 1.009 169 T CB 1.869 70.342 68.868 -0.657 0.000 1.203 169 T HN 2.293 nan 8.240 nan 0.000 0.518 170 A N 1.406 124.056 122.820 -0.283 0.000 2.429 170 A HA 0.691 4.971 4.320 -0.067 0.000 0.289 170 A C -1.229 176.295 177.584 -0.100 0.000 1.043 170 A CA -0.759 51.193 52.037 -0.141 0.000 0.722 170 A CB 1.224 20.168 19.000 -0.093 0.000 1.243 170 A HN 0.976 nan 8.150 nan 0.000 0.415 171 L N 3.778 124.986 121.223 -0.026 0.000 2.287 171 L HA 0.721 5.021 4.340 -0.067 0.000 0.287 171 L C -1.265 175.731 176.870 0.210 0.000 1.022 171 L CA -0.649 54.230 54.840 0.065 0.000 0.814 171 L CB 1.419 43.510 42.059 0.053 0.000 1.217 171 L HN 0.522 nan 8.230 nan 0.000 0.420 172 V N 2.907 122.913 119.914 0.154 0.000 2.656 172 V HA 0.377 4.457 4.120 -0.067 0.000 0.307 172 V C -0.102 175.955 176.094 -0.062 0.000 1.051 172 V CA -0.641 61.706 62.300 0.079 0.000 0.893 172 V CB 1.938 33.774 31.823 0.022 0.000 0.999 172 V HN 0.774 nan 8.190 nan 0.000 0.426 173 S N 1.841 117.299 115.700 -0.404 0.000 2.480 173 S HA 0.278 4.708 4.470 -0.067 0.000 0.286 173 S C 1.416 175.880 174.600 -0.227 0.000 1.180 173 S CA 0.092 58.038 58.200 -0.425 0.000 1.075 173 S CB 1.488 64.069 63.200 -1.032 0.000 0.996 173 S HN 1.148 nan 8.310 nan 0.000 0.487 174 S N 3.399 119.064 115.700 -0.059 0.000 2.442 174 S HA -0.111 4.319 4.470 -0.067 0.000 0.236 174 S C 1.223 175.783 174.600 -0.067 0.000 1.007 174 S CA 1.232 59.416 58.200 -0.027 0.000 0.965 174 S CB -0.714 62.511 63.200 0.041 0.000 0.773 174 S HN 1.288 nan 8.310 nan 0.000 0.504 175 V N -2.483 117.354 119.914 -0.129 0.000 3.176 175 V HA 0.698 4.778 4.120 -0.067 0.000 0.332 175 V C 0.932 176.883 176.094 -0.239 0.000 1.414 175 V CA -0.384 61.823 62.300 -0.155 0.000 1.133 175 V CB -0.956 30.774 31.823 -0.155 0.000 1.088 175 V HN 0.813 nan 8.190 nan 0.000 0.473 176 G N 0.877 109.476 108.800 -0.335 0.000 2.804 176 G HA2 -0.209 3.711 3.960 -0.067 0.000 0.230 176 G HA3 -0.209 3.711 3.960 -0.067 0.000 0.230 176 G C -0.726 173.838 174.900 -0.561 0.000 1.386 176 G CA 0.089 44.946 45.100 -0.406 0.000 0.875 176 G HN 0.538 nan 8.290 nan 0.000 0.557 177 F N -0.046 119.862 119.950 -0.071 0.000 2.507 177 F HA 0.593 5.080 4.527 -0.067 0.000 0.327 177 F C 1.610 177.360 175.800 -0.084 0.000 1.068 177 F CA 0.120 58.068 58.000 -0.088 0.000 0.965 177 F CB 2.161 41.127 39.000 -0.056 0.000 1.192 177 F HN 0.686 nan 8.300 nan 0.000 0.476 178 G N 0.775 109.639 108.800 0.106 0.000 2.595 178 G HA2 0.469 4.389 3.960 -0.067 0.000 0.213 178 G HA3 0.469 4.389 3.960 -0.067 0.000 0.213 178 G C -0.208 174.721 174.900 0.048 0.000 1.141 178 G CA 0.557 45.671 45.100 0.024 0.000 0.806 178 G HN 0.778 nan 8.290 nan 0.000 0.530 179 A N -0.487 122.380 122.820 0.078 0.000 2.540 179 A HA 0.643 4.923 4.320 -0.067 0.000 0.297 179 A C -0.968 176.636 177.584 0.033 0.000 1.056 179 A CA -0.182 51.893 52.037 0.065 0.000 0.700 179 A CB 1.333 20.390 19.000 0.096 0.000 1.280 179 A HN 1.124 nan 8.150 nan 0.000 0.398 180 V N -1.620 118.283 119.914 -0.019 0.000 3.074 180 V HA 1.060 5.140 4.120 -0.067 0.000 0.314 180 V C -0.116 175.925 176.094 -0.088 0.000 1.117 180 V CA -0.441 61.793 62.300 -0.110 0.000 1.014 180 V CB 1.393 33.124 31.823 -0.154 0.000 1.057 180 V HN 2.594 nan 8.190 nan 0.000 0.438 181 A N 2.015 124.760 122.820 -0.125 0.000 2.555 181 A HA 0.790 5.070 4.320 -0.067 0.000 0.297 181 A C -1.218 176.287 177.584 -0.133 0.000 1.060 181 A CA -0.667 51.306 52.037 -0.107 0.000 0.710 181 A CB 1.254 20.200 19.000 -0.090 0.000 1.282 181 A HN 0.998 nan 8.150 nan 0.000 0.399 182 N N -0.166 118.456 118.700 -0.131 0.000 2.370 182 N HA 0.806 5.506 4.740 -0.067 0.000 0.303 182 N C 0.084 175.487 175.510 -0.179 0.000 1.103 182 N CA 0.303 53.256 53.050 -0.162 0.000 0.848 182 N CB 2.150 40.538 38.487 -0.166 0.000 1.235 182 N HN 1.114 nan 8.380 nan 0.000 0.496 183 G N -0.091 108.574 108.800 -0.225 0.000 2.600 183 G HA2 0.378 4.298 3.960 -0.067 0.000 0.293 183 G HA3 0.378 4.298 3.960 -0.067 0.000 0.293 183 G C -2.065 172.647 174.900 -0.312 0.000 1.408 183 G CA -0.507 44.455 45.100 -0.231 0.000 0.782 183 G HN 0.347 nan 8.290 nan 0.000 0.482 184 Y N 0.168 120.443 120.300 -0.041 0.000 2.326 184 Y HA 0.430 4.940 4.550 -0.067 0.000 0.337 184 Y C 0.939 176.818 175.900 -0.035 0.000 1.023 184 Y CA -0.473 57.604 58.100 -0.037 0.000 1.143 184 Y CB 1.821 40.260 38.460 -0.035 0.000 1.183 184 Y HN 0.249 nan 8.280 nan 0.000 0.485 185 V N 3.830 123.807 119.914 0.105 0.000 2.557 185 V HA 0.184 4.264 4.120 -0.067 0.000 0.301 185 V C 1.068 177.197 176.094 0.059 0.000 1.026 185 V CA 1.735 64.069 62.300 0.057 0.000 1.137 185 V CB 0.109 31.949 31.823 0.029 0.000 0.917 185 V HN 1.142 nan 8.190 nan 0.000 0.484 186 G N 4.006 112.831 108.800 0.043 0.000 2.194 186 G HA2 -0.246 3.674 3.960 -0.067 0.000 0.236 186 G HA3 -0.246 3.674 3.960 -0.067 0.000 0.236 186 G C 0.542 175.448 174.900 0.010 0.000 0.987 186 G CA 0.474 45.589 45.100 0.026 0.000 0.635 186 G HN 0.737 nan 8.290 nan 0.000 0.520 187 T N -0.892 113.675 114.554 0.023 0.000 3.340 187 T HA 0.276 4.586 4.350 -0.067 0.000 0.272 187 T C 1.802 176.504 174.700 0.003 0.000 0.965 187 T CA 1.454 63.559 62.100 0.008 0.000 1.040 187 T CB 0.087 68.967 68.868 0.020 0.000 1.183 187 T HN 1.051 nan 8.240 nan 0.000 0.478 188 S N 1.931 117.651 115.700 0.033 0.000 2.819 188 S HA 0.279 4.709 4.470 -0.067 0.000 0.249 188 S C -0.171 174.411 174.600 -0.029 0.000 1.030 188 S CA -0.647 57.554 58.200 0.002 0.000 1.052 188 S CB -0.478 62.744 63.200 0.036 0.000 1.017 188 S HN 0.609 nan 8.310 nan 0.000 0.576 189 D N 0.914 121.303 120.400 -0.018 0.000 2.360 189 D HA 0.491 5.091 4.640 -0.067 0.000 0.242 189 D C 1.583 177.859 176.300 -0.039 0.000 1.184 189 D CA -0.077 53.906 54.000 -0.028 0.000 0.930 189 D CB 0.142 40.947 40.800 0.008 0.000 1.161 189 D HN 0.008 nan 8.370 nan 0.000 0.447 190 G N -0.264 108.513 108.800 -0.039 0.000 2.491 190 G HA2 -0.335 3.585 3.960 -0.067 0.000 0.218 190 G HA3 -0.335 3.585 3.960 -0.067 0.000 0.218 190 G C 1.053 175.950 174.900 -0.005 0.000 1.180 190 G CA 0.488 45.553 45.100 -0.059 0.000 0.774 190 G HN 0.807 nan 8.290 nan 0.000 0.562 191 W N 1.338 122.568 121.300 -0.116 0.000 2.358 191 W HA -0.154 4.466 4.660 -0.067 0.000 0.303 191 W C 2.385 178.855 176.519 -0.080 0.000 1.208 191 W CA 1.654 58.943 57.345 -0.093 0.000 1.274 191 W CB -0.258 29.170 29.460 -0.053 0.000 1.138 191 W HN 0.231 nan 8.180 nan 0.000 0.515 192 T N 0.439 114.879 114.554 -0.190 0.000 2.759 192 T HA -0.257 4.053 4.350 -0.067 0.000 0.269 192 T C 1.245 175.756 174.700 -0.315 0.000 1.042 192 T CA 1.967 63.889 62.100 -0.298 0.000 1.140 192 T CB -0.580 68.213 68.868 -0.124 0.000 0.864 192 T HN 0.185 nan 8.240 nan 0.000 0.455 193 D N 0.997 121.257 120.400 -0.234 0.000 2.085 193 D HA -0.000 4.600 4.640 -0.067 0.000 0.199 193 D C 2.135 178.268 176.300 -0.279 0.000 0.981 193 D CA 0.896 54.766 54.000 -0.217 0.000 0.834 193 D CB -0.391 40.307 40.800 -0.171 0.000 0.992 193 D HN 0.286 nan 8.370 nan 0.000 0.457 194 L N 0.391 121.422 121.223 -0.320 0.000 2.083 194 L HA -0.114 4.186 4.340 -0.067 0.000 0.209 194 L C 2.693 179.316 176.870 -0.412 0.000 1.083 194 L CA 1.102 55.745 54.840 -0.328 0.000 0.752 194 L CB -0.458 41.433 42.059 -0.280 0.000 0.899 194 L HN 0.035 nan 8.230 nan 0.000 0.433 195 A N 0.164 122.513 122.820 -0.785 0.000 1.883 195 A HA -0.258 4.022 4.320 -0.067 0.000 0.217 195 A C 2.555 179.871 177.584 -0.447 0.000 1.186 195 A CA 1.975 53.446 52.037 -0.944 0.000 0.624 195 A CB -0.831 17.296 19.000 -1.456 0.000 0.822 195 A HN 0.419 nan 8.150 nan 0.000 0.444 196 A N 0.559 123.162 122.820 -0.362 0.000 1.859 196 A HA -0.209 4.071 4.320 -0.067 0.000 0.217 196 A C 1.605 179.100 177.584 -0.149 0.000 1.198 196 A CA 2.259 54.165 52.037 -0.217 0.000 0.629 196 A CB -0.482 18.408 19.000 -0.183 0.000 0.830 196 A HN 0.687 nan 8.150 nan 0.000 0.446 197 D N -3.942 116.374 120.400 -0.139 0.000 2.527 197 D HA 0.309 4.909 4.640 -0.067 0.000 0.224 197 D C 0.929 177.189 176.300 -0.067 0.000 1.217 197 D CA 0.787 54.735 54.000 -0.086 0.000 0.819 197 D CB -0.621 40.137 40.800 -0.071 0.000 1.061 197 D HN 1.060 nan 8.370 nan 0.000 0.515 198 G N 1.191 109.935 108.800 -0.093 0.000 2.179 198 G HA2 -0.331 3.589 3.960 -0.067 0.000 0.257 198 G HA3 -0.331 3.589 3.960 -0.067 0.000 0.257 198 G C 0.105 174.980 174.900 -0.042 0.000 1.010 198 G CA 0.353 45.427 45.100 -0.043 0.000 0.736 198 G HN 0.636 nan 8.290 nan 0.000 0.513 199 R N -0.961 119.480 120.500 -0.097 0.000 2.621 199 R HA 0.586 4.886 4.340 -0.067 0.000 0.284 199 R C -0.818 175.390 176.300 -0.154 0.000 0.998 199 R CA -1.147 54.906 56.100 -0.079 0.000 0.895 199 R CB 0.892 31.170 30.300 -0.037 0.000 1.195 199 R HN 0.248 nan 8.270 nan 0.000 0.450 200 L N 4.574 125.697 121.223 -0.167 0.000 2.385 200 L HA 0.255 4.555 4.340 -0.067 0.000 0.285 200 L C -0.344 176.476 176.870 -0.083 0.000 1.125 200 L CA 0.638 55.363 54.840 -0.191 0.000 0.890 200 L CB 0.801 42.742 42.059 -0.197 0.000 1.251 200 L HN 0.744 nan 8.230 nan 0.000 0.445 201 D N 1.357 121.703 120.400 -0.090 0.000 2.213 201 D HA -0.037 4.563 4.640 -0.067 0.000 0.205 201 D C 0.445 176.714 176.300 -0.050 0.000 0.961 201 D CA 0.494 54.459 54.000 -0.058 0.000 0.853 201 D CB 0.084 40.847 40.800 -0.061 0.000 0.967 201 D HN 0.475 nan 8.370 nan 0.000 0.496 202 N N 0.365 119.027 118.700 -0.064 0.000 2.518 202 N HA 0.252 4.952 4.740 -0.067 0.000 0.266 202 N C -0.389 175.092 175.510 -0.048 0.000 1.196 202 N CA 0.059 53.077 53.050 -0.054 0.000 0.947 202 N CB 1.073 39.521 38.487 -0.064 0.000 1.098 202 N HN 0.033 nan 8.380 nan 0.000 0.450 203 A N 1.862 124.658 122.820 -0.039 0.000 2.630 203 A HA 0.166 4.446 4.320 -0.067 0.000 0.287 203 A C 0.334 177.894 177.584 -0.040 0.000 1.040 203 A CA -0.417 51.599 52.037 -0.035 0.000 0.971 203 A CB -0.373 18.615 19.000 -0.021 0.000 1.241 203 A HN 0.556 nan 8.150 nan 0.000 0.558 204 S N 0.688 116.360 115.700 -0.047 0.000 2.546 204 S HA 0.352 4.782 4.470 -0.067 0.000 0.290 204 S C 1.101 175.664 174.600 -0.063 0.000 1.290 204 S CA 0.454 58.624 58.200 -0.049 0.000 1.069 204 S CB 0.651 63.820 63.200 -0.052 0.000 0.846 204 S HN 1.035 nan 8.310 nan 0.000 0.495 205 A N 4.236 127.025 122.820 -0.052 0.000 2.415 205 A HA 0.457 4.737 4.320 -0.067 0.000 0.248 205 A C 0.701 178.248 177.584 -0.062 0.000 1.299 205 A CA -0.040 51.964 52.037 -0.055 0.000 0.899 205 A CB -0.164 18.814 19.000 -0.037 0.000 0.997 205 A HN 0.763 nan 8.150 nan 0.000 0.506 206 T N -1.507 113.003 114.554 -0.074 0.000 2.893 206 T HA 0.598 4.908 4.350 -0.067 0.000 0.337 206 T C -1.701 172.924 174.700 -0.124 0.000 1.587 206 T CA 0.351 62.402 62.100 -0.083 0.000 1.066 206 T CB 1.384 70.223 68.868 -0.049 0.000 1.414 206 T HN 1.427 nan 8.240 nan 0.000 0.488 207 A N 1.224 123.943 122.820 -0.168 0.000 2.590 207 A HA 0.869 5.149 4.320 -0.067 0.000 0.296 207 A C 0.195 177.611 177.584 -0.280 0.000 1.050 207 A CA 0.351 52.192 52.037 -0.327 0.000 0.697 207 A CB 0.661 19.339 19.000 -0.537 0.000 1.277 207 A HN 2.453 nan 8.150 nan 0.000 0.411 208 G N 0.656 109.311 108.800 -0.241 0.000 2.631 208 G HA2 0.215 4.135 3.960 -0.067 0.000 0.504 208 G HA3 0.215 4.135 3.960 -0.067 0.000 0.504 208 G C -2.913 172.047 174.900 0.100 0.000 1.306 208 G CA -0.254 44.859 45.100 0.022 0.000 0.897 208 G HN 1.218 nan 8.290 nan 0.000 0.520 209 P HA 0.536 nan 4.420 nan 0.000 0.271 209 P C 0.654 178.040 177.300 0.144 0.000 1.216 209 P CA 1.251 64.398 63.100 0.080 0.000 0.776 209 P CB 1.234 32.966 31.700 0.054 0.000 0.881 210 G N 1.788 110.662 108.800 0.123 0.000 2.367 210 G HA2 0.016 3.936 3.960 -0.067 0.000 0.272 210 G HA3 0.016 3.936 3.960 -0.067 0.000 0.272 210 G C -1.386 173.575 174.900 0.102 0.000 1.271 210 G CA -0.647 44.544 45.100 0.152 0.000 0.893 210 G HN 0.601 nan 8.290 nan 0.000 0.485 211 N N 0.741 119.514 118.700 0.121 0.000 2.482 211 N HA 0.475 5.175 4.740 -0.067 0.000 0.242 211 N C -0.000 175.544 175.510 0.056 0.000 1.100 211 N CA -0.393 52.687 53.050 0.050 0.000 0.946 211 N CB -0.200 38.299 38.487 0.020 0.000 1.227 211 N HN 0.756 nan 8.380 nan 0.000 0.508 212 I N -0.149 120.395 120.570 -0.043 0.000 3.217 212 I HA 0.789 4.919 4.170 -0.067 0.000 0.308 212 I C 0.022 176.074 176.117 -0.107 0.000 1.091 212 I CA -0.965 60.249 61.300 -0.143 0.000 1.013 212 I CB 1.633 39.468 38.000 -0.276 0.000 1.250 212 I HN 0.366 nan 8.210 nan 0.000 0.496 213 S N 0.258 115.881 115.700 -0.129 0.000 2.596 213 S HA 0.731 5.161 4.470 -0.067 0.000 0.270 213 S C -1.374 173.150 174.600 -0.126 0.000 1.155 213 S CA -0.944 57.196 58.200 -0.101 0.000 0.827 213 S CB 1.526 64.687 63.200 -0.064 0.000 1.130 213 S HN 0.782 nan 8.310 nan 0.000 0.467 214 Q N 0.201 119.926 119.800 -0.124 0.000 2.413 214 Q HA 0.780 5.080 4.340 -0.067 0.000 0.276 214 Q C -1.245 174.661 176.000 -0.156 0.000 1.099 214 Q CA -0.968 54.743 55.803 -0.153 0.000 0.814 214 Q CB 2.240 30.873 28.738 -0.173 0.000 1.379 214 Q HN 0.829 nan 8.270 nan 0.000 0.436 215 T N -0.967 113.479 114.554 -0.180 0.000 2.993 215 T HA 0.730 5.040 4.350 -0.067 0.000 0.312 215 T C -1.191 173.375 174.700 -0.224 0.000 1.115 215 T CA -0.460 61.546 62.100 -0.156 0.000 1.027 215 T CB 1.620 70.431 68.868 -0.094 0.000 1.116 215 T HN 0.748 nan 8.240 nan 0.000 0.464 216 G N 2.718 111.369 108.800 -0.249 0.000 2.687 216 G HA2 0.524 4.444 3.960 -0.067 0.000 0.301 216 G HA3 0.524 4.444 3.960 -0.067 0.000 0.301 216 G C -1.122 173.805 174.900 0.044 0.000 1.416 216 G CA -0.605 44.254 45.100 -0.402 0.000 1.005 216 G HN 0.875 nan 8.290 nan 0.000 0.509 217 Q N 1.477 121.346 119.800 0.116 0.000 2.286 217 Q HA 0.345 4.645 4.340 -0.067 0.000 0.257 217 Q C -0.729 175.246 176.000 -0.041 0.000 0.941 217 Q CA -0.502 55.227 55.803 -0.123 0.000 0.912 217 Q CB 0.892 29.483 28.738 -0.244 0.000 1.192 217 Q HN 0.326 nan 8.270 nan 0.000 0.410 218 I N 8.180 128.613 120.570 -0.229 0.000 2.304 218 I HA 0.242 4.372 4.170 -0.067 0.000 0.291 218 I C -2.032 173.858 176.117 -0.378 0.000 1.018 218 I CA -2.479 58.620 61.300 -0.335 0.000 1.260 218 I CB 1.245 38.866 38.000 -0.631 0.000 1.390 218 I HN 0.533 nan 8.210 nan 0.000 0.475 219 P HA 0.116 nan 4.420 nan 0.000 0.267 219 P C -0.707 176.457 177.300 -0.227 0.000 1.205 219 P CA -0.001 62.967 63.100 -0.220 0.000 0.765 219 P CB 0.585 32.187 31.700 -0.162 0.000 0.828 220 L N 2.242 123.377 121.223 -0.147 0.000 2.375 220 L HA 0.621 4.921 4.340 -0.067 0.000 0.268 220 L C 0.964 177.816 176.870 -0.029 0.000 1.058 220 L CA -1.075 53.726 54.840 -0.066 0.000 0.803 220 L CB 1.078 43.151 42.059 0.024 0.000 1.212 220 L HN 0.361 nan 8.230 nan 0.000 0.451 221 A N 1.220 124.043 122.820 0.005 0.000 2.293 221 A HA 0.721 5.001 4.320 -0.067 0.000 0.302 221 A C 0.067 177.660 177.584 0.015 0.000 1.119 221 A CA -0.452 51.588 52.037 0.005 0.000 0.823 221 A CB 0.934 19.942 19.000 0.013 0.000 1.097 221 A HN 0.780 nan 8.150 nan 0.000 0.491 222 A N 0.730 123.554 122.820 0.007 0.000 2.511 222 A HA 0.568 4.848 4.320 -0.067 0.000 0.242 222 A C 1.094 178.684 177.584 0.011 0.000 1.069 222 A CA 0.967 53.009 52.037 0.009 0.000 0.763 222 A CB -0.767 18.234 19.000 0.003 0.000 1.001 222 A HN 2.855 nan 8.150 nan 0.000 0.498 223 G N 1.090 109.898 108.800 0.014 0.000 2.422 223 G HA2 0.308 4.228 3.960 -0.067 0.000 0.607 223 G HA3 0.308 4.228 3.960 -0.067 0.000 0.607 223 G C 0.860 175.767 174.900 0.011 0.000 1.270 223 G CA 0.145 45.251 45.100 0.010 0.000 0.992 223 G HN 1.647 nan 8.290 nan 0.000 0.499 224 G N -0.117 108.682 108.800 -0.001 0.000 2.433 224 G HA2 0.305 4.225 3.960 -0.067 0.000 0.216 224 G HA3 0.305 4.225 3.960 -0.067 0.000 0.216 224 G C 0.806 175.679 174.900 -0.045 0.000 1.186 224 G CA 2.033 47.122 45.100 -0.019 0.000 0.779 224 G HN 1.363 nan 8.290 nan 0.000 0.543 225 K N -1.508 118.876 120.400 -0.028 0.000 2.350 225 K HA 0.690 4.970 4.320 -0.067 0.000 0.241 225 K C -1.498 175.125 176.600 0.038 0.000 0.994 225 K CA -0.820 55.454 56.287 -0.023 0.000 0.839 225 K CB 2.079 34.557 32.500 -0.036 0.000 1.244 225 K HN -0.077 nan 8.250 nan 0.000 0.443 226 T N 0.180 114.793 114.554 0.100 0.000 2.881 226 T HA 0.278 4.588 4.350 -0.067 0.000 0.290 226 T C -1.536 173.284 174.700 0.201 0.000 1.000 226 T CA -0.626 61.559 62.100 0.141 0.000 0.978 226 T CB 1.170 70.132 68.868 0.156 0.000 0.997 226 T HN 0.649 nan 8.240 nan 0.000 0.443 227 E N 3.488 123.780 120.200 0.153 0.000 2.171 227 E HA 0.675 4.985 4.350 -0.067 0.000 0.271 227 E C -0.916 175.808 176.600 0.206 0.000 0.916 227 E CA -0.679 55.784 56.400 0.105 0.000 0.774 227 E CB 1.461 31.168 29.700 0.012 0.000 1.128 227 E HN 0.593 nan 8.360 nan 0.000 0.403 228 F N -0.568 119.316 119.950 -0.112 0.000 2.877 228 F HA 0.660 5.147 4.527 -0.067 0.000 0.319 228 F C -1.244 174.462 175.800 -0.157 0.000 1.174 228 F CA -1.057 56.874 58.000 -0.115 0.000 0.903 228 F CB 0.903 39.840 39.000 -0.106 0.000 1.357 228 F HN 0.296 nan 8.300 nan 0.000 0.472 229 S N 0.764 116.416 115.700 -0.081 0.000 2.588 229 S HA 0.862 5.292 4.470 -0.067 0.000 0.275 229 S C -1.756 172.855 174.600 0.018 0.000 1.130 229 S CA -0.880 57.187 58.200 -0.221 0.000 0.855 229 S CB 1.900 65.006 63.200 -0.157 0.000 1.116 229 S HN 0.902 nan 8.310 nan 0.000 0.472 230 L N 1.095 122.313 121.223 -0.009 0.000 2.342 230 L HA 0.878 5.178 4.340 -0.067 0.000 0.271 230 L C -0.313 176.590 176.870 0.056 0.000 1.008 230 L CA -1.104 53.785 54.840 0.082 0.000 0.818 230 L CB 2.090 44.236 42.059 0.145 0.000 1.296 230 L HN 0.990 nan 8.230 nan 0.000 0.427 231 A N 3.021 125.879 122.820 0.063 0.000 2.332 231 A HA 0.635 4.915 4.320 -0.067 0.000 0.300 231 A C -1.279 176.335 177.584 0.051 0.000 1.153 231 A CA -0.381 51.690 52.037 0.057 0.000 0.764 231 A CB 1.242 20.268 19.000 0.043 0.000 1.174 231 A HN 0.525 nan 8.150 nan 0.000 0.467 232 L N 3.517 124.779 121.223 0.064 0.000 2.283 232 L HA 0.680 4.980 4.340 -0.067 0.000 0.281 232 L C 0.495 177.377 176.870 0.021 0.000 1.033 232 L CA 0.150 54.999 54.840 0.015 0.000 0.848 232 L CB 0.877 42.983 42.059 0.078 0.000 1.226 232 L HN 0.689 nan 8.230 nan 0.000 0.429 233 G N 3.530 112.271 108.800 -0.097 0.000 2.412 233 G HA2 0.546 4.466 3.960 -0.067 0.000 0.318 233 G HA3 0.546 4.466 3.960 -0.067 0.000 0.318 233 G C -1.231 173.477 174.900 -0.321 0.000 1.146 233 G CA -0.370 44.696 45.100 -0.056 0.000 0.882 233 G HN 0.415 nan 8.290 nan 0.000 0.501 234 F N -0.220 119.568 119.950 -0.270 0.000 2.546 234 F HA 0.751 5.238 4.527 -0.067 0.000 0.320 234 F C 0.715 176.250 175.800 -0.442 0.000 1.076 234 F CA -0.230 57.425 58.000 -0.576 0.000 0.928 234 F CB 2.975 41.193 39.000 -1.304 0.000 1.189 234 F HN 0.799 nan 8.300 nan 0.000 0.465 235 G N -0.060 108.647 108.800 -0.154 0.000 2.608 235 G HA2 0.497 4.417 3.960 -0.067 0.000 0.291 235 G HA3 0.497 4.417 3.960 -0.067 0.000 0.291 235 G C -0.337 174.689 174.900 0.211 0.000 1.425 235 G CA -0.237 44.923 45.100 0.099 0.000 0.787 235 G HN 0.783 nan 8.290 nan 0.000 0.484 236 A N -0.946 122.000 122.820 0.209 0.000 2.066 236 A HA 0.387 4.667 4.320 -0.067 0.000 0.218 236 A C 0.873 178.528 177.584 0.118 0.000 1.157 236 A CA 2.182 54.327 52.037 0.181 0.000 0.670 236 A CB -0.526 18.555 19.000 0.135 0.000 0.804 236 A HN 0.973 nan 8.150 nan 0.000 0.453 237 D N -5.552 114.896 120.400 0.081 0.000 2.626 237 D HA 0.339 4.939 4.640 -0.067 0.000 0.278 237 D C 0.421 176.732 176.300 0.018 0.000 1.211 237 D CA 0.029 54.058 54.000 0.048 0.000 0.903 237 D CB 0.132 40.957 40.800 0.043 0.000 1.408 237 D HN -0.238 nan 8.370 nan 0.000 0.454 238 T N -0.671 113.886 114.554 0.004 0.000 2.759 238 T HA -0.098 4.212 4.350 -0.067 0.000 0.269 238 T C 1.794 176.486 174.700 -0.013 0.000 1.042 238 T CA 2.094 64.184 62.100 -0.017 0.000 1.140 238 T CB -0.520 68.339 68.868 -0.016 0.000 0.864 238 T HN 0.542 nan 8.240 nan 0.000 0.455 239 A N 0.989 123.809 122.820 0.001 0.000 1.873 239 A HA -0.107 4.173 4.320 -0.067 0.000 0.215 239 A C 2.202 179.789 177.584 0.005 0.000 1.186 239 A CA 1.865 53.904 52.037 0.004 0.000 0.616 239 A CB -0.619 18.387 19.000 0.011 0.000 0.823 239 A HN 0.607 nan 8.150 nan 0.000 0.442 240 E N -0.105 120.104 120.200 0.014 0.000 2.051 240 E HA -0.158 4.152 4.350 -0.067 0.000 0.192 240 E C 2.221 178.825 176.600 0.005 0.000 0.991 240 E CA 1.092 57.505 56.400 0.021 0.000 0.799 240 E CB -0.263 29.464 29.700 0.045 0.000 0.748 240 E HN 0.507 nan 8.360 nan 0.000 0.449 241 A N 1.761 124.570 122.820 -0.019 0.000 1.908 241 A HA -0.200 4.080 4.320 -0.067 0.000 0.218 241 A C 2.268 179.820 177.584 -0.054 0.000 1.181 241 A CA 1.290 53.288 52.037 -0.066 0.000 0.627 241 A CB -0.790 18.132 19.000 -0.129 0.000 0.818 241 A HN 0.426 nan 8.150 nan 0.000 0.445 242 L N -0.864 120.337 121.223 -0.037 0.000 1.994 242 L HA -0.181 4.119 4.340 -0.067 0.000 0.208 242 L C 2.976 179.840 176.870 -0.009 0.000 1.071 242 L CA 1.641 56.467 54.840 -0.023 0.000 0.745 242 L CB -0.645 41.406 42.059 -0.014 0.000 0.892 242 L HN 0.446 nan 8.230 nan 0.000 0.431 243 A N -0.695 122.124 122.820 -0.003 0.000 1.883 243 A HA -0.241 4.039 4.320 -0.067 0.000 0.217 243 A C 2.193 179.782 177.584 0.007 0.000 1.186 243 A CA 2.500 54.540 52.037 0.004 0.000 0.624 243 A CB -1.061 17.945 19.000 0.009 0.000 0.822 243 A HN 0.512 nan 8.150 nan 0.000 0.444 244 T N 0.256 114.815 114.554 0.009 0.000 2.708 244 T HA -0.008 4.302 4.350 -0.067 0.000 0.266 244 T C 2.218 176.926 174.700 0.015 0.000 1.037 244 T CA 1.622 63.732 62.100 0.017 0.000 1.146 244 T CB -0.478 68.406 68.868 0.027 0.000 0.865 244 T HN 0.614 nan 8.240 nan 0.000 0.435 245 A N 1.746 124.568 122.820 0.004 0.000 1.933 245 A HA -0.110 4.170 4.320 -0.067 0.000 0.218 245 A C 2.254 179.844 177.584 0.010 0.000 1.175 245 A CA 1.456 53.497 52.037 0.007 0.000 0.628 245 A CB -0.397 18.598 19.000 -0.008 0.000 0.814 245 A HN 0.469 nan 8.150 nan 0.000 0.444 246 K N -0.246 120.158 120.400 0.005 0.000 2.057 246 K HA -0.015 4.265 4.320 -0.067 0.000 0.206 246 K C 2.331 178.935 176.600 0.007 0.000 1.050 246 K CA 1.021 57.310 56.287 0.004 0.000 0.935 246 K CB -0.338 32.164 32.500 0.002 0.000 0.715 246 K HN 0.422 nan 8.250 nan 0.000 0.439 247 A N 1.349 124.174 122.820 0.008 0.000 1.908 247 A HA -0.197 4.083 4.320 -0.067 0.000 0.218 247 A C 2.261 179.851 177.584 0.009 0.000 1.181 247 A CA 2.014 54.056 52.037 0.008 0.000 0.627 247 A CB -0.654 18.352 19.000 0.010 0.000 0.818 247 A HN 0.185 nan 8.150 nan 0.000 0.445 248 S N -0.167 115.541 115.700 0.013 0.000 2.359 248 S HA -0.116 4.314 4.470 -0.067 0.000 0.224 248 S C 1.798 176.408 174.600 0.018 0.000 1.035 248 S CA 1.545 59.753 58.200 0.015 0.000 1.018 248 S CB -0.474 62.740 63.200 0.023 0.000 0.876 248 S HN 0.512 nan 8.310 nan 0.000 0.448 249 L N 0.894 122.129 121.223 0.019 0.000 2.201 249 L HA -0.052 4.248 4.340 -0.067 0.000 0.212 249 L C 2.640 179.518 176.870 0.015 0.000 1.105 249 L CA 0.958 55.811 54.840 0.021 0.000 0.775 249 L CB -0.919 41.147 42.059 0.011 0.000 0.913 249 L HN 0.422 nan 8.230 nan 0.000 0.440 250 G N -0.962 107.844 108.800 0.009 0.000 2.422 250 G HA2 -0.196 3.724 3.960 -0.067 0.000 0.218 250 G HA3 -0.196 3.724 3.960 -0.067 0.000 0.218 250 G C 1.584 176.487 174.900 0.006 0.000 1.140 250 G CA 1.150 46.254 45.100 0.006 0.000 0.775 250 G HN 0.260 nan 8.290 nan 0.000 0.545 251 T N 0.018 114.575 114.554 0.005 0.000 2.937 251 T HA 0.405 4.715 4.350 -0.067 0.000 0.260 251 T C 1.134 175.836 174.700 0.003 0.000 1.051 251 T CA 1.171 63.272 62.100 0.000 0.000 1.141 251 T CB -0.200 68.664 68.868 -0.006 0.000 0.879 251 T HN 1.138 nan 8.240 nan 0.000 0.459 252 G N -0.251 108.558 108.800 0.014 0.000 2.712 252 G HA2 -0.168 3.752 3.960 -0.067 0.000 0.686 252 G HA3 -0.168 3.752 3.960 -0.067 0.000 0.686 252 G C -0.047 174.874 174.900 0.035 0.000 1.181 252 G CA -0.187 44.935 45.100 0.036 0.000 0.762 252 G HN 0.153 nan 8.290 nan 0.000 0.641 253 Y N 1.814 122.097 120.300 -0.028 0.000 2.070 253 Y HA -0.175 4.335 4.550 -0.067 0.000 0.280 253 Y C 2.862 178.745 175.900 -0.027 0.000 1.148 253 Y CA 2.871 60.947 58.100 -0.041 0.000 1.125 253 Y CB -0.095 38.325 38.460 -0.066 0.000 0.975 253 Y HN 0.569 nan 8.280 nan 0.000 0.492 254 K N 0.485 120.901 120.400 0.027 0.000 2.034 254 K HA -0.274 4.006 4.320 -0.067 0.000 0.214 254 K C 2.104 178.637 176.600 -0.112 0.000 1.051 254 K CA 2.063 58.328 56.287 -0.036 0.000 0.931 254 K CB -0.609 31.923 32.500 0.053 0.000 0.715 254 K HN 0.234 nan 8.250 nan 0.000 0.446 255 K N 0.911 121.269 120.400 -0.070 0.000 2.002 255 K HA -0.095 4.185 4.320 -0.067 0.000 0.209 255 K C 2.086 178.632 176.600 -0.089 0.000 1.048 255 K CA 1.187 57.438 56.287 -0.059 0.000 0.930 255 K CB -0.359 32.122 32.500 -0.031 0.000 0.714 255 K HN -0.081 nan 8.250 nan 0.000 0.438 256 V N 0.410 120.249 119.914 -0.126 0.000 2.332 256 V HA -0.268 3.812 4.120 -0.067 0.000 0.248 256 V C 2.379 178.379 176.094 -0.157 0.000 1.055 256 V CA 2.113 64.338 62.300 -0.125 0.000 1.038 256 V CB -0.738 31.001 31.823 -0.141 0.000 0.651 256 V HN 0.494 nan 8.190 nan 0.000 0.450 257 S N -0.339 115.152 115.700 -0.348 0.000 2.359 257 S HA -0.292 4.138 4.470 -0.067 0.000 0.222 257 S C 2.081 176.646 174.600 -0.058 0.000 1.038 257 S CA 2.172 60.174 58.200 -0.329 0.000 1.051 257 S CB -0.258 62.581 63.200 -0.602 0.000 0.944 257 S HN 0.649 nan 8.310 nan 0.000 0.433 258 K N 0.652 121.014 120.400 -0.063 0.000 2.044 258 K HA -0.103 4.177 4.320 -0.067 0.000 0.210 258 K C 2.564 179.178 176.600 0.025 0.000 1.049 258 K CA 1.609 57.894 56.287 -0.002 0.000 0.927 258 K CB -0.578 31.915 32.500 -0.013 0.000 0.713 258 K HN 0.395 nan 8.250 nan 0.000 0.443 259 S N 0.294 116.000 115.700 0.011 0.000 2.370 259 S HA -0.215 4.215 4.470 -0.067 0.000 0.226 259 S C 1.949 176.580 174.600 0.051 0.000 1.033 259 S CA 1.135 59.344 58.200 0.014 0.000 1.011 259 S CB -0.324 62.875 63.200 -0.002 0.000 0.852 259 S HN 0.425 nan 8.310 nan 0.000 0.457 260 Y N 1.808 122.084 120.300 -0.040 0.000 2.163 260 Y HA -0.062 4.448 4.550 -0.067 0.000 0.288 260 Y C 2.576 178.537 175.900 0.101 0.000 1.136 260 Y CA 2.275 60.381 58.100 0.011 0.000 1.147 260 Y CB -0.950 37.537 38.460 0.045 0.000 0.987 260 Y HN 0.252 nan 8.280 nan 0.000 0.509 261 T N -0.063 114.633 114.554 0.237 0.000 2.788 261 T HA -0.126 4.184 4.350 -0.067 0.000 0.268 261 T C 1.989 176.741 174.700 0.087 0.000 1.044 261 T CA 1.354 63.557 62.100 0.171 0.000 1.139 261 T CB -1.007 67.957 68.868 0.161 0.000 0.867 261 T HN 0.611 nan 8.240 nan 0.000 0.454 262 G N 1.362 110.188 108.800 0.043 0.000 2.440 262 G HA2 -0.205 3.715 3.960 -0.067 0.000 0.218 262 G HA3 -0.205 3.715 3.960 -0.067 0.000 0.218 262 G C 1.458 176.343 174.900 -0.025 0.000 1.154 262 G CA 0.664 45.772 45.100 0.013 0.000 0.767 262 G HN 0.504 nan 8.290 nan 0.000 0.552 263 E N -0.267 119.864 120.200 -0.115 0.000 2.058 263 E HA -0.179 4.131 4.350 -0.067 0.000 0.194 263 E C 2.263 178.732 176.600 -0.219 0.000 0.997 263 E CA 1.079 57.338 56.400 -0.235 0.000 0.801 263 E CB -0.239 29.199 29.700 -0.436 0.000 0.746 263 E HN 0.728 nan 8.360 nan 0.000 0.450 264 W N 1.373 122.593 121.300 -0.132 0.000 2.381 264 W HA -0.120 4.500 4.660 -0.067 0.000 0.301 264 W C 2.560 179.092 176.519 0.022 0.000 1.205 264 W CA 0.685 57.986 57.345 -0.073 0.000 1.285 264 W CB -0.018 29.339 29.460 -0.172 0.000 1.133 264 W HN 0.002 nan 8.180 nan 0.000 0.521 265 K N 1.154 121.683 120.400 0.214 0.000 2.063 265 K HA -0.265 4.015 4.320 -0.067 0.000 0.208 265 K C 2.081 178.746 176.600 0.107 0.000 1.048 265 K CA 1.822 58.189 56.287 0.134 0.000 0.928 265 K CB -0.258 32.290 32.500 0.081 0.000 0.713 265 K HN -0.016 nan 8.250 nan 0.000 0.442 266 K N -0.425 120.025 120.400 0.082 0.000 2.025 266 K HA -0.213 4.067 4.320 -0.067 0.000 0.207 266 K C 2.138 178.791 176.600 0.089 0.000 1.049 266 K CA 1.533 57.853 56.287 0.056 0.000 0.933 266 K CB -0.327 32.186 32.500 0.021 0.000 0.714 266 K HN 0.229 nan 8.250 nan 0.000 0.438 267 Y N 0.963 121.263 120.300 -0.001 0.000 2.053 267 Y HA -0.315 4.195 4.550 -0.067 0.000 0.277 267 Y C 1.882 177.830 175.900 0.078 0.000 1.159 267 Y CA 1.462 59.575 58.100 0.022 0.000 1.125 267 Y CB -0.227 38.244 38.460 0.019 0.000 0.969 267 Y HN 0.035 nan 8.280 nan 0.000 0.492 268 L N 0.998 122.285 121.223 0.107 0.000 1.989 268 L HA -0.275 4.025 4.340 -0.067 0.000 0.211 268 L C 2.156 179.008 176.870 -0.031 0.000 1.071 268 L CA 2.180 57.028 54.840 0.014 0.000 0.749 268 L CB -1.690 40.444 42.059 0.125 0.000 0.890 268 L HN 0.378 nan 8.230 nan 0.000 0.431 269 N N -0.975 117.728 118.700 0.006 0.000 2.443 269 N HA -0.154 4.546 4.740 -0.067 0.000 0.184 269 N C 1.809 177.299 175.510 -0.033 0.000 1.037 269 N CA 1.107 54.154 53.050 -0.006 0.000 0.896 269 N CB 0.055 38.548 38.487 0.010 0.000 0.959 269 N HN 0.453 nan 8.380 nan 0.000 0.442 270 S N -1.155 114.507 115.700 -0.064 0.000 2.503 270 S HA 0.162 4.592 4.470 -0.067 0.000 0.217 270 S C 0.703 175.243 174.600 -0.101 0.000 0.999 270 S CA -0.330 57.827 58.200 -0.071 0.000 0.914 270 S CB -0.065 63.097 63.200 -0.063 0.000 0.782 270 S HN 0.134 nan 8.310 nan 0.000 0.520 271 L N 1.653 122.787 121.223 -0.147 0.000 2.454 271 L HA 0.439 4.739 4.340 -0.067 0.000 0.256 271 L C 0.243 177.080 176.870 -0.055 0.000 1.136 271 L CA -0.933 53.828 54.840 -0.132 0.000 0.804 271 L CB 0.170 42.100 42.059 -0.215 0.000 1.181 271 L HN 0.082 nan 8.230 nan 0.000 0.469 272 D N 1.031 121.412 120.400 -0.032 0.000 2.583 272 D HA 0.134 4.734 4.640 -0.067 0.000 0.232 272 D C -0.141 176.147 176.300 -0.020 0.000 1.128 272 D CA 0.235 54.224 54.000 -0.019 0.000 0.859 272 D CB 0.863 41.659 40.800 -0.008 0.000 1.169 272 D HN 0.557 nan 8.370 nan 0.000 0.481 273 A N 5.232 128.027 122.820 -0.042 0.000 2.454 273 A HA 0.351 4.631 4.320 -0.067 0.000 0.260 273 A C -1.978 175.532 177.584 -0.123 0.000 1.106 273 A CA -1.055 50.942 52.037 -0.068 0.000 0.780 273 A CB 0.028 18.993 19.000 -0.058 0.000 1.044 273 A HN 0.529 nan 8.150 nan 0.000 0.498 274 P HA 0.250 nan 4.420 nan 0.000 0.272 274 P C 0.069 177.224 177.300 -0.242 0.000 1.240 274 P CA -0.078 62.791 63.100 -0.385 0.000 0.791 274 P CB 0.574 31.793 31.700 -0.801 0.000 0.978 275 A N 1.354 124.039 122.820 -0.226 0.000 2.567 275 A HA 0.098 4.378 4.320 -0.067 0.000 0.240 275 A C 1.745 179.258 177.584 -0.119 0.000 1.053 275 A CA 0.691 52.645 52.037 -0.139 0.000 0.755 275 A CB -0.852 18.078 19.000 -0.116 0.000 0.978 275 A HN 0.689 nan 8.150 nan 0.000 0.507 276 T N -0.137 114.368 114.554 -0.082 0.000 2.915 276 T HA -0.155 4.155 4.350 -0.067 0.000 0.269 276 T C 1.585 176.255 174.700 -0.050 0.000 1.071 276 T CA 1.491 63.553 62.100 -0.062 0.000 1.132 276 T CB -0.626 68.215 68.868 -0.045 0.000 0.878 276 T HN 1.245 nan 8.240 nan 0.000 0.479 277 S N 0.897 116.569 115.700 -0.047 0.000 2.603 277 S HA 0.205 4.635 4.470 -0.067 0.000 0.229 277 S C 0.603 175.186 174.600 -0.028 0.000 0.972 277 S CA -0.350 57.831 58.200 -0.031 0.000 0.935 277 S CB -0.947 62.238 63.200 -0.025 0.000 0.769 277 S HN 0.553 nan 8.310 nan 0.000 0.536 278 L N 3.649 124.844 121.223 -0.045 0.000 2.315 278 L HA 0.255 4.555 4.340 -0.067 0.000 0.283 278 L C 1.174 178.035 176.870 -0.015 0.000 1.089 278 L CA -0.600 54.221 54.840 -0.031 0.000 0.833 278 L CB 0.632 42.654 42.059 -0.062 0.000 1.170 278 L HN 0.333 nan 8.230 nan 0.000 0.442 279 T N 0.100 114.657 114.554 0.005 0.000 2.663 279 T HA 0.020 4.330 4.350 -0.067 0.000 0.325 279 T C 1.518 176.220 174.700 0.004 0.000 1.059 279 T CA -0.015 62.091 62.100 0.010 0.000 1.039 279 T CB 0.912 69.796 68.868 0.026 0.000 0.996 279 T HN 0.688 nan 8.240 nan 0.000 0.539 280 G N 0.430 109.236 108.800 0.010 0.000 2.491 280 G HA2 -0.084 3.836 3.960 -0.067 0.000 0.218 280 G HA3 -0.084 3.836 3.960 -0.067 0.000 0.218 280 G C 1.872 176.771 174.900 -0.001 0.000 1.180 280 G CA 1.042 46.147 45.100 0.007 0.000 0.774 280 G HN 1.172 nan 8.290 nan 0.000 0.562 281 A N 0.318 123.144 122.820 0.011 0.000 1.933 281 A HA 0.134 4.414 4.320 -0.067 0.000 0.218 281 A C 2.418 179.892 177.584 -0.182 0.000 1.175 281 A CA 1.232 53.254 52.037 -0.025 0.000 0.628 281 A CB -0.337 18.685 19.000 0.038 0.000 0.814 281 A HN 0.364 nan 8.150 nan 0.000 0.444 282 L N -1.305 119.867 121.223 -0.085 0.000 2.291 282 L HA -0.095 4.205 4.340 -0.067 0.000 0.214 282 L C 2.681 179.612 176.870 0.103 0.000 1.120 282 L CA 1.315 56.170 54.840 0.025 0.000 0.799 282 L CB -0.400 41.724 42.059 0.108 0.000 0.925 282 L HN 0.390 nan 8.230 nan 0.000 0.446 283 R N 0.233 120.747 120.500 0.023 0.000 2.062 283 R HA -0.070 4.230 4.340 -0.067 0.000 0.226 283 R C 2.157 178.466 176.300 0.015 0.000 1.125 283 R CA 1.857 57.978 56.100 0.034 0.000 0.966 283 R CB -0.845 29.445 30.300 -0.017 0.000 0.861 283 R HN 0.060 nan 8.270 nan 0.000 0.433 284 T N 0.817 115.303 114.554 -0.113 0.000 2.788 284 T HA -0.165 4.145 4.350 -0.067 0.000 0.268 284 T C 1.484 175.916 174.700 -0.445 0.000 1.044 284 T CA 1.594 63.513 62.100 -0.303 0.000 1.139 284 T CB -0.283 68.328 68.868 -0.429 0.000 0.867 284 T HN 0.249 nan 8.240 nan 0.000 0.454 285 Q N 0.351 119.941 119.800 -0.349 0.000 2.050 285 Q HA -0.131 4.169 4.340 -0.067 0.000 0.202 285 Q C 1.910 177.752 176.000 -0.262 0.000 0.980 285 Q CA 1.640 57.242 55.803 -0.335 0.000 0.840 285 Q CB -0.745 27.717 28.738 -0.460 0.000 0.898 285 Q HN 0.697 nan 8.270 nan 0.000 0.424 286 Y N 0.805 121.065 120.300 -0.067 0.000 2.128 286 Y HA -0.255 4.255 4.550 -0.067 0.000 0.284 286 Y C 1.549 177.455 175.900 0.010 0.000 1.154 286 Y CA 2.329 60.522 58.100 0.156 0.000 1.149 286 Y CB -0.292 38.283 38.460 0.193 0.000 0.976 286 Y HN 0.228 nan 8.280 nan 0.000 0.505 287 D N -0.545 119.901 120.400 0.076 0.000 2.097 287 D HA -0.179 4.421 4.640 -0.067 0.000 0.195 287 D C 2.391 178.596 176.300 -0.157 0.000 0.989 287 D CA 1.772 55.756 54.000 -0.026 0.000 0.827 287 D CB -0.558 40.237 40.800 -0.008 0.000 0.966 287 D HN 0.323 nan 8.370 nan 0.000 0.456 288 V N 0.585 120.370 119.914 -0.215 0.000 2.427 288 V HA -0.173 3.907 4.120 -0.067 0.000 0.248 288 V C 2.442 178.442 176.094 -0.156 0.000 1.051 288 V CA 1.504 63.684 62.300 -0.199 0.000 1.048 288 V CB -0.416 31.299 31.823 -0.180 0.000 0.666 288 V HN 0.130 nan 8.190 nan 0.000 0.456 289 S N -0.308 115.289 115.700 -0.172 0.000 2.383 289 S HA -0.091 4.339 4.470 -0.067 0.000 0.227 289 S C 1.890 176.410 174.600 -0.133 0.000 1.026 289 S CA 1.291 59.409 58.200 -0.136 0.000 0.981 289 S CB -0.274 62.847 63.200 -0.132 0.000 0.818 289 S HN 0.476 nan 8.310 nan 0.000 0.472 290 L N 0.963 122.059 121.223 -0.211 0.000 1.994 290 L HA -0.106 4.194 4.340 -0.067 0.000 0.208 290 L C 2.338 179.211 176.870 0.005 0.000 1.071 290 L CA 1.469 56.217 54.840 -0.152 0.000 0.745 290 L CB -0.323 41.586 42.059 -0.251 0.000 0.892 290 L HN 0.389 nan 8.230 nan 0.000 0.431 291 M N -1.211 118.344 119.600 -0.076 0.000 2.149 291 M HA -0.216 4.224 4.480 -0.067 0.000 0.261 291 M C 2.086 178.274 176.300 -0.187 0.000 1.064 291 M CA 2.092 57.243 55.300 -0.248 0.000 1.102 291 M CB -0.638 31.519 32.600 -0.738 0.000 1.369 291 M HN 0.273 nan 8.290 nan 0.000 0.408 292 T N 0.509 114.999 114.554 -0.106 0.000 2.746 292 T HA -0.102 4.208 4.350 -0.067 0.000 0.267 292 T C 1.890 176.705 174.700 0.192 0.000 1.039 292 T CA 1.315 63.437 62.100 0.035 0.000 1.142 292 T CB -0.317 68.563 68.868 0.020 0.000 0.866 292 T HN 0.146 nan 8.240 nan 0.000 0.444 293 V N 1.613 121.588 119.914 0.102 0.000 2.343 293 V HA -0.130 3.950 4.120 -0.067 0.000 0.247 293 V C 2.662 178.948 176.094 0.320 0.000 1.051 293 V CA 1.367 63.745 62.300 0.130 0.000 1.036 293 V CB -0.460 31.382 31.823 0.032 0.000 0.654 293 V HN 0.303 nan 8.190 nan 0.000 0.451 294 K N 0.274 120.855 120.400 0.301 0.000 2.148 294 K HA -0.094 4.186 4.320 -0.067 0.000 0.204 294 K C 2.210 179.005 176.600 0.326 0.000 1.050 294 K CA 1.530 58.024 56.287 0.344 0.000 0.942 294 K CB -0.335 32.338 32.500 0.288 0.000 0.724 294 K HN 0.475 nan 8.250 nan 0.000 0.446 295 S N -0.029 115.879 115.700 0.346 0.000 2.515 295 S HA -0.079 4.351 4.470 -0.067 0.000 0.231 295 S C 1.001 175.781 174.600 0.300 0.000 0.987 295 S CA 0.596 59.006 58.200 0.350 0.000 0.936 295 S CB -0.246 63.107 63.200 0.255 0.000 0.766 295 S HN 0.394 nan 8.310 nan 0.000 0.528 296 H N 0.919 120.098 119.070 0.182 0.000 2.539 296 H HA 0.286 4.802 4.556 -0.067 0.000 0.267 296 H C 0.642 175.912 175.328 -0.096 0.000 0.982 296 H CA 0.080 56.167 56.048 0.064 0.000 1.146 296 H CB 0.155 29.993 29.762 0.126 0.000 1.382 296 H HN 0.409 nan 8.280 nan 0.000 0.577 297 E N 1.259 121.363 120.200 -0.160 0.000 2.259 297 E HA 0.063 4.373 4.350 -0.067 0.000 0.281 297 E C -0.543 175.913 176.600 -0.239 0.000 1.027 297 E CA -0.680 55.273 56.400 -0.747 0.000 0.838 297 E CB 0.839 29.969 29.700 -0.950 0.000 1.066 297 E HN 0.223 nan 8.360 nan 0.000 0.401 298 D N 2.754 122.971 120.400 -0.305 0.000 2.357 298 D HA 0.006 4.606 4.640 -0.067 0.000 0.242 298 D C 0.567 176.918 176.300 0.084 0.000 1.153 298 D CA -0.033 53.955 54.000 -0.020 0.000 0.918 298 D CB 0.883 41.617 40.800 -0.110 0.000 1.181 298 D HN 0.301 nan 8.370 nan 0.000 0.435 299 K N 1.061 121.619 120.400 0.263 0.000 2.308 299 K HA 0.052 4.332 4.320 -0.067 0.000 0.197 299 K C 1.706 178.324 176.600 0.030 0.000 1.049 299 K CA 0.496 56.840 56.287 0.093 0.000 0.991 299 K CB -0.035 32.488 32.500 0.040 0.000 0.836 299 K HN 0.416 nan 8.250 nan 0.000 0.500 300 T N 0.366 114.973 114.554 0.089 0.000 2.978 300 T HA 0.083 4.393 4.350 -0.067 0.000 0.262 300 T C 0.173 174.639 174.700 -0.390 0.000 1.063 300 T CA 0.711 62.766 62.100 -0.075 0.000 1.140 300 T CB -0.030 68.917 68.868 0.131 0.000 0.886 300 T HN -0.023 nan 8.240 nan 0.000 0.470 301 F N 2.818 122.732 119.950 -0.060 0.000 2.449 301 F HA 0.325 4.813 4.527 -0.066 0.000 0.329 301 F C -2.392 173.306 175.800 -0.170 0.000 1.245 301 F CA -2.941 54.990 58.000 -0.115 0.000 1.193 301 F CB 0.969 39.867 39.000 -0.170 0.000 1.425 301 F HN -0.129 nan 8.300 nan 0.000 0.544 302 P HA 0.107 nan 4.420 nan 0.000 0.262 302 P C 0.867 178.169 177.300 0.003 0.000 1.182 302 P CA 1.214 64.290 63.100 -0.040 0.000 0.761 302 P CB 1.185 32.885 31.700 0.000 0.000 0.795 303 G N 1.709 110.445 108.800 -0.106 0.000 2.218 303 G HA2 -0.101 3.819 3.960 -0.067 0.000 0.216 303 G HA3 -0.101 3.819 3.960 -0.067 0.000 0.216 303 G C 0.202 174.995 174.900 -0.179 0.000 0.994 303 G CA 0.033 45.169 45.100 0.059 0.000 0.637 303 G HN 0.882 nan 8.290 nan 0.000 0.505 304 A N 0.167 122.549 122.820 -0.729 0.000 2.290 304 A HA 0.808 5.088 4.320 -0.067 0.000 0.310 304 A C -0.782 176.366 177.584 -0.727 0.000 1.202 304 A CA -0.309 51.012 52.037 -1.194 0.000 0.837 304 A CB 0.456 18.401 19.000 -1.758 0.000 1.139 304 A HN 0.619 nan 8.150 nan 0.000 0.509 305 F N 3.690 123.384 119.950 -0.426 0.000 2.467 305 F HA 0.398 4.885 4.527 -0.067 0.000 0.336 305 F C 0.565 176.298 175.800 -0.113 0.000 1.123 305 F CA -1.067 56.823 58.000 -0.183 0.000 0.964 305 F CB 1.642 40.586 39.000 -0.093 0.000 1.136 305 F HN 0.546 nan 8.300 nan 0.000 0.447 306 I N 1.231 121.836 120.570 0.058 0.000 2.764 306 I HA 0.520 4.650 4.170 -0.067 0.000 0.294 306 I C 0.880 177.148 176.117 0.251 0.000 1.045 306 I CA -0.358 61.010 61.300 0.113 0.000 1.340 306 I CB 0.762 38.749 38.000 -0.023 0.000 1.436 306 I HN 0.677 nan 8.210 nan 0.000 0.567 307 A N 4.503 127.497 122.820 0.290 0.000 1.877 307 A HA -0.009 4.271 4.320 -0.067 0.000 0.216 307 A C 1.317 178.954 177.584 0.087 0.000 1.186 307 A CA 1.645 53.754 52.037 0.120 0.000 0.620 307 A CB -0.364 18.574 19.000 -0.103 0.000 0.822 307 A HN 0.954 nan 8.150 nan 0.000 0.443 308 S N -2.312 113.519 115.700 0.218 0.000 2.560 308 S HA 0.418 4.848 4.470 -0.067 0.000 0.283 308 S C -0.796 173.885 174.600 0.134 0.000 1.141 308 S CA -0.708 57.662 58.200 0.284 0.000 0.902 308 S CB 0.437 63.724 63.200 0.146 0.000 1.104 308 S HN 0.303 nan 8.310 nan 0.000 0.454 309 L N 3.735 124.933 121.223 -0.041 0.000 2.858 309 L HA 0.295 4.595 4.340 -0.067 0.000 0.243 309 L C 0.736 177.534 176.870 -0.120 0.000 1.416 309 L CA 0.285 54.855 54.840 -0.450 0.000 1.182 309 L CB -0.610 41.090 42.059 -0.598 0.000 1.564 309 L HN 0.680 nan 8.230 nan 0.000 0.436 310 T N -0.342 114.261 114.554 0.082 0.000 2.711 310 T HA 0.635 4.945 4.350 -0.067 0.000 0.302 310 T C -1.253 173.509 174.700 0.103 0.000 1.373 310 T CA -0.407 61.766 62.100 0.123 0.000 1.000 310 T CB 1.408 70.312 68.868 0.060 0.000 1.483 310 T HN 0.017 nan 8.240 nan 0.000 0.499 311 I N 3.635 124.198 120.570 -0.012 0.000 2.468 311 I HA 0.365 4.495 4.170 -0.067 0.000 0.284 311 I C -2.286 173.720 176.117 -0.185 0.000 1.038 311 I CA -2.166 59.062 61.300 -0.119 0.000 1.083 311 I CB 2.498 40.461 38.000 -0.062 0.000 1.223 311 I HN 0.401 nan 8.210 nan 0.000 0.443 312 P HA -0.153 nan 4.420 nan 0.000 0.264 312 P C -0.220 177.048 177.300 -0.053 0.000 1.193 312 P CA 0.414 63.221 63.100 -0.489 0.000 0.763 312 P CB 0.381 31.626 31.700 -0.759 0.000 0.810 313 W N 1.827 123.117 121.300 -0.016 0.000 5.538 313 W HA -0.146 4.474 4.660 -0.066 0.000 0.377 313 W C 1.365 177.938 176.519 0.090 0.000 1.406 313 W CA 0.892 58.265 57.345 0.046 0.000 0.940 313 W CB -2.683 26.828 29.460 0.085 0.000 2.536 313 W HN 0.650 nan 8.180 nan 0.000 1.504 314 G N 0.564 109.492 108.800 0.214 0.000 2.485 314 G HA2 -0.264 3.656 3.960 -0.067 0.000 0.221 314 G HA3 -0.264 3.656 3.960 -0.067 0.000 0.221 314 G C 1.327 176.398 174.900 0.285 0.000 1.115 314 G CA 1.513 46.774 45.100 0.268 0.000 0.751 314 G HN 0.421 nan 8.290 nan 0.000 0.567 315 Q N 0.268 120.205 119.800 0.228 0.000 2.436 315 Q HA 0.375 4.675 4.340 -0.067 0.000 0.209 315 Q C 1.858 177.958 176.000 0.165 0.000 0.965 315 Q CA 1.087 56.999 55.803 0.182 0.000 0.910 315 Q CB -0.180 28.653 28.738 0.158 0.000 0.980 315 Q HN 0.429 nan 8.270 nan 0.000 0.491 316 A N -0.217 122.722 122.820 0.198 0.000 2.508 316 A HA 0.682 4.962 4.320 -0.067 0.000 0.257 316 A C 0.417 178.100 177.584 0.166 0.000 1.226 316 A CA 0.000 52.129 52.037 0.153 0.000 0.947 316 A CB 0.354 19.434 19.000 0.133 0.000 1.079 316 A HN 0.202 nan 8.150 nan 0.000 0.531 317 A N 1.327 124.282 122.820 0.226 0.000 2.249 317 A HA 0.586 4.866 4.320 -0.067 0.000 0.314 317 A C 0.642 178.354 177.584 0.213 0.000 1.290 317 A CA 0.110 52.306 52.037 0.265 0.000 0.893 317 A CB -0.036 19.192 19.000 0.380 0.000 1.165 317 A HN 0.969 nan 8.150 nan 0.000 0.530 318 S N 1.873 117.653 115.700 0.132 0.000 2.568 318 S HA 0.378 4.808 4.470 -0.067 0.000 0.282 318 S C 0.760 175.355 174.600 -0.009 0.000 1.338 318 S CA 0.120 58.337 58.200 0.028 0.000 1.045 318 S CB 1.228 64.448 63.200 0.034 0.000 0.873 318 S HN 1.608 nan 8.310 nan 0.000 0.516 319 A N 1.290 123.964 122.820 -0.244 0.000 2.503 319 A HA 0.382 4.662 4.320 -0.067 0.000 0.263 319 A C 1.388 178.862 177.584 -0.184 0.000 1.258 319 A CA -0.294 51.488 52.037 -0.426 0.000 0.936 319 A CB -0.337 17.874 19.000 -1.315 0.000 1.070 319 A HN 0.793 nan 8.150 nan 0.000 0.522 320 E N 0.300 120.444 120.200 -0.094 0.000 2.106 320 E HA -0.018 4.292 4.350 -0.067 0.000 0.192 320 E C 0.355 176.930 176.600 -0.041 0.000 0.984 320 E CA 1.360 57.721 56.400 -0.064 0.000 0.806 320 E CB -0.034 29.644 29.700 -0.036 0.000 0.750 320 E HN 0.422 nan 8.360 nan 0.000 0.458 321 T N 0.619 115.185 114.554 0.021 0.000 2.895 321 T HA 0.205 4.515 4.350 -0.067 0.000 0.283 321 T C -0.508 174.259 174.700 0.113 0.000 1.014 321 T CA -0.708 61.414 62.100 0.038 0.000 1.037 321 T CB 0.854 69.777 68.868 0.092 0.000 1.006 321 T HN 0.100 nan 8.240 nan 0.000 0.468 322 H N 2.789 121.965 119.070 0.178 0.000 3.192 322 H HA 0.053 4.569 4.556 -0.067 0.000 0.295 322 H C 0.576 176.033 175.328 0.215 0.000 0.943 322 H CA 0.756 56.926 56.048 0.203 0.000 1.416 322 H CB 0.318 30.171 29.762 0.151 0.000 1.434 322 H HN 0.359 nan 8.280 nan 0.000 0.565 323 R N 2.656 123.387 120.500 0.385 0.000 2.803 323 R HA 0.127 4.427 4.340 -0.067 0.000 0.276 323 R C 0.857 177.310 176.300 0.256 0.000 0.978 323 R CA -0.612 55.669 56.100 0.302 0.000 0.939 323 R CB 1.507 32.010 30.300 0.339 0.000 1.179 323 R HN 0.712 nan 8.270 nan 0.000 0.472 324 E N 1.971 122.247 120.200 0.126 0.000 2.102 324 E HA 0.075 4.385 4.350 -0.067 0.000 0.190 324 E C 0.845 177.215 176.600 -0.383 0.000 0.971 324 E CA 0.941 57.334 56.400 -0.010 0.000 0.821 324 E CB -0.000 29.720 29.700 0.034 0.000 0.777 324 E HN 0.925 nan 8.360 nan 0.000 0.460 325 G N 0.541 109.233 108.800 -0.179 0.000 2.596 325 G HA2 -0.366 3.554 3.960 -0.067 0.000 0.295 325 G HA3 -0.366 3.554 3.960 -0.067 0.000 0.295 325 G C 0.510 175.430 174.900 0.034 0.000 1.240 325 G CA 0.666 45.621 45.100 -0.240 0.000 0.985 325 G HN 0.489 nan 8.290 nan 0.000 0.555 326 Y N 1.374 121.611 120.300 -0.105 0.000 2.481 326 Y HA 0.181 4.691 4.550 -0.067 0.000 0.247 326 Y C 1.728 177.733 175.900 0.175 0.000 1.151 326 Y CA 0.287 58.437 58.100 0.082 0.000 1.238 326 Y CB 0.364 38.804 38.460 -0.035 0.000 1.179 326 Y HN 0.653 nan 8.280 nan 0.000 0.524 327 H N -0.397 118.865 119.070 0.320 0.000 2.966 327 H HA 0.650 5.166 4.556 -0.067 0.000 0.217 327 H C -0.387 175.024 175.328 0.140 0.000 1.906 327 H CA -0.246 55.884 56.048 0.136 0.000 1.351 327 H CB -0.344 29.445 29.762 0.045 0.000 1.722 327 H HN 0.152 nan 8.280 nan 0.000 0.562 328 A N 0.678 123.680 122.820 0.303 0.000 2.567 328 A HA 0.637 4.917 4.320 -0.067 0.000 0.289 328 A C -1.184 176.496 177.584 0.159 0.000 1.177 328 A CA -0.880 51.218 52.037 0.102 0.000 0.694 328 A CB 1.122 20.020 19.000 -0.171 0.000 1.292 328 A HN 0.253 nan 8.150 nan 0.000 0.425 329 V N 1.204 121.116 119.914 -0.003 0.000 2.333 329 V HA 0.298 4.378 4.120 -0.067 0.000 0.274 329 V C -0.871 175.279 176.094 0.093 0.000 1.028 329 V CA -0.209 62.149 62.300 0.097 0.000 0.851 329 V CB 0.418 32.278 31.823 0.061 0.000 1.000 329 V HN 0.666 nan 8.190 nan 0.000 0.456 330 W N 3.051 124.379 121.300 0.046 0.000 2.429 330 W HA 0.437 5.057 4.660 -0.067 0.000 0.314 330 W C 0.964 177.493 176.519 0.017 0.000 1.062 330 W CA -0.588 56.776 57.345 0.032 0.000 1.211 330 W CB 2.136 31.593 29.460 -0.006 0.000 1.305 330 W HN 0.702 nan 8.180 nan 0.000 0.476 331 A N 3.607 126.561 122.820 0.224 0.000 1.940 331 A HA -0.244 4.036 4.320 -0.067 0.000 0.219 331 A C 2.130 179.756 177.584 0.070 0.000 1.176 331 A CA 1.741 53.846 52.037 0.114 0.000 0.631 331 A CB -0.505 18.482 19.000 -0.021 0.000 0.814 331 A HN 0.708 nan 8.150 nan 0.000 0.446 332 R N -0.108 120.439 120.500 0.078 0.000 2.070 332 R HA -0.196 4.104 4.340 -0.067 0.000 0.232 332 R C 1.577 177.651 176.300 -0.375 0.000 1.138 332 R CA 2.181 58.224 56.100 -0.095 0.000 0.936 332 R CB -0.507 29.712 30.300 -0.134 0.000 0.839 332 R HN 0.452 nan 8.270 nan 0.000 0.429 333 D N 0.142 120.342 120.400 -0.334 0.000 2.182 333 D HA -0.204 4.396 4.640 -0.067 0.000 0.201 333 D C 1.831 177.963 176.300 -0.280 0.000 0.986 333 D CA 1.411 55.172 54.000 -0.400 0.000 0.847 333 D CB -0.128 40.550 40.800 -0.203 0.000 0.942 333 D HN 0.301 nan 8.370 nan 0.000 0.467 334 M N -0.731 118.787 119.600 -0.137 0.000 2.132 334 M HA -0.198 4.242 4.480 -0.067 0.000 0.263 334 M C 2.054 178.178 176.300 -0.294 0.000 1.065 334 M CA 1.277 56.477 55.300 -0.167 0.000 1.122 334 M CB -0.119 32.486 32.600 0.009 0.000 1.365 334 M HN 0.121 nan 8.290 nan 0.000 0.411 335 Y N 1.300 121.375 120.300 -0.375 0.000 2.114 335 Y HA -0.345 4.165 4.550 -0.067 0.000 0.282 335 Y C 2.310 177.904 175.900 -0.509 0.000 1.165 335 Y CA 2.036 59.864 58.100 -0.453 0.000 1.148 335 Y CB -0.479 37.556 38.460 -0.707 0.000 0.972 335 Y HN 0.324 nan 8.280 nan 0.000 0.504 336 Q N 0.094 119.550 119.800 -0.575 0.000 2.096 336 Q HA -0.167 4.133 4.340 -0.067 0.000 0.204 336 Q C 2.485 178.207 176.000 -0.464 0.000 0.982 336 Q CA 1.800 57.261 55.803 -0.570 0.000 0.850 336 Q CB -0.721 27.665 28.738 -0.587 0.000 0.901 336 Q HN 0.503 nan 8.270 nan 0.000 0.422 337 S N 0.951 116.379 115.700 -0.455 0.000 2.345 337 S HA -0.112 4.318 4.470 -0.067 0.000 0.220 337 S C 2.151 176.424 174.600 -0.545 0.000 1.031 337 S CA 1.443 59.362 58.200 -0.468 0.000 0.996 337 S CB -0.411 62.438 63.200 -0.585 0.000 0.882 337 S HN 0.454 nan 8.310 nan 0.000 0.445 338 V N 0.116 119.637 119.914 -0.656 0.000 2.667 338 V HA -0.054 4.026 4.120 -0.067 0.000 0.252 338 V C 2.064 177.948 176.094 -0.351 0.000 1.065 338 V CA 2.194 64.202 62.300 -0.486 0.000 1.083 338 V CB -1.230 30.363 31.823 -0.382 0.000 0.692 338 V HN 0.467 nan 8.190 nan 0.000 0.468 339 T N 0.053 114.322 114.554 -0.475 0.000 2.867 339 T HA 0.043 4.353 4.350 -0.067 0.000 0.268 339 T C 1.916 176.446 174.700 -0.283 0.000 1.057 339 T CA 1.778 63.608 62.100 -0.449 0.000 1.136 339 T CB -0.380 68.006 68.868 -0.803 0.000 0.874 339 T HN 0.804 nan 8.240 nan 0.000 0.466 340 A N 0.735 123.396 122.820 -0.265 0.000 1.897 340 A HA 0.184 4.464 4.320 -0.067 0.000 0.215 340 A C 2.234 179.757 177.584 -0.102 0.000 1.181 340 A CA 0.864 52.809 52.037 -0.154 0.000 0.620 340 A CB -0.601 18.317 19.000 -0.136 0.000 0.821 340 A HN 0.538 nan 8.150 nan 0.000 0.443 341 L N -0.951 120.206 121.223 -0.110 0.000 2.141 341 L HA -0.124 4.176 4.340 -0.067 0.000 0.209 341 L C 2.396 179.253 176.870 -0.023 0.000 1.094 341 L CA 0.453 55.278 54.840 -0.025 0.000 0.763 341 L CB -0.443 41.627 42.059 0.018 0.000 0.908 341 L HN 0.295 nan 8.230 nan 0.000 0.437 342 L N 0.149 121.332 121.223 -0.066 0.000 2.093 342 L HA -0.110 4.190 4.340 -0.067 0.000 0.208 342 L C 2.694 179.543 176.870 -0.036 0.000 1.085 342 L CA 1.914 56.724 54.840 -0.050 0.000 0.755 342 L CB -1.022 40.987 42.059 -0.083 0.000 0.904 342 L HN 0.153 nan 8.230 nan 0.000 0.435 343 A N -1.179 121.615 122.820 -0.043 0.000 1.969 343 A HA -0.025 4.255 4.320 -0.067 0.000 0.218 343 A C 2.318 179.917 177.584 0.025 0.000 1.169 343 A CA 1.457 53.486 52.037 -0.014 0.000 0.635 343 A CB -0.642 18.349 19.000 -0.014 0.000 0.810 343 A HN 0.402 nan 8.150 nan 0.000 0.445 344 A N -2.298 120.542 122.820 0.033 0.000 2.132 344 A HA 0.425 4.705 4.320 -0.067 0.000 0.213 344 A C 1.713 179.305 177.584 0.013 0.000 1.154 344 A CA 1.357 53.434 52.037 0.067 0.000 0.753 344 A CB -0.418 18.617 19.000 0.060 0.000 0.826 344 A HN 1.750 nan 8.150 nan 0.000 0.469 345 G N -0.914 107.884 108.800 -0.004 0.000 2.205 345 G HA2 -0.157 3.763 3.960 -0.067 0.000 0.180 345 G HA3 -0.157 3.763 3.960 -0.067 0.000 0.180 345 G C -0.190 174.701 174.900 -0.014 0.000 1.004 345 G CA 0.174 45.264 45.100 -0.018 0.000 0.670 345 G HN 0.391 nan 8.290 nan 0.000 0.496 346 D N 0.941 121.348 120.400 0.012 0.000 2.483 346 D HA 0.416 5.016 4.640 -0.067 0.000 0.220 346 D C 1.373 177.713 176.300 0.066 0.000 1.173 346 D CA -0.304 53.736 54.000 0.066 0.000 0.964 346 D CB 0.909 41.809 40.800 0.168 0.000 1.046 346 D HN 0.347 nan 8.370 nan 0.000 0.517 347 E N 2.528 122.755 120.200 0.045 0.000 2.107 347 E HA -0.151 4.159 4.350 -0.067 0.000 0.191 347 E C 1.518 178.153 176.600 0.058 0.000 0.982 347 E CA 1.003 57.425 56.400 0.038 0.000 0.809 347 E CB 0.058 29.770 29.700 0.021 0.000 0.756 347 E HN 0.575 nan 8.360 nan 0.000 0.459 348 E N -0.147 120.097 120.200 0.072 0.000 2.070 348 E HA -0.273 4.037 4.350 -0.067 0.000 0.197 348 E C 1.944 178.613 176.600 0.114 0.000 1.004 348 E CA 1.298 57.748 56.400 0.083 0.000 0.805 348 E CB -0.281 29.468 29.700 0.081 0.000 0.744 348 E HN 0.347 nan 8.360 nan 0.000 0.451 349 A N 1.166 124.076 122.820 0.150 0.000 1.908 349 A HA -0.182 4.098 4.320 -0.067 0.000 0.218 349 A C 2.383 180.095 177.584 0.214 0.000 1.181 349 A CA 2.151 54.321 52.037 0.221 0.000 0.627 349 A CB -0.797 18.386 19.000 0.304 0.000 0.818 349 A HN 0.442 nan 8.150 nan 0.000 0.445 350 A N -0.305 122.591 122.820 0.126 0.000 1.898 350 A HA 0.195 4.475 4.320 -0.067 0.000 0.216 350 A C 2.522 180.175 177.584 0.115 0.000 1.181 350 A CA 2.037 54.126 52.037 0.086 0.000 0.620 350 A CB -1.031 17.986 19.000 0.028 0.000 0.819 350 A HN 1.075 nan 8.150 nan 0.000 0.442 351 A N -0.086 122.792 122.820 0.096 0.000 1.902 351 A HA -0.175 4.105 4.320 -0.067 0.000 0.217 351 A C 2.263 179.934 177.584 0.145 0.000 1.181 351 A CA 1.557 53.644 52.037 0.083 0.000 0.623 351 A CB -0.480 18.552 19.000 0.054 0.000 0.818 351 A HN 0.552 nan 8.150 nan 0.000 0.443 352 R N -0.927 119.677 120.500 0.173 0.000 2.073 352 R HA -0.093 4.207 4.340 -0.067 0.000 0.234 352 R C 2.456 178.951 176.300 0.326 0.000 1.134 352 R CA 1.122 57.358 56.100 0.227 0.000 0.952 352 R CB -0.766 29.646 30.300 0.186 0.000 0.850 352 R HN 0.530 nan 8.270 nan 0.000 0.433 353 G N 0.859 109.855 108.800 0.326 0.000 2.491 353 G HA2 -0.303 3.617 3.960 -0.067 0.000 0.218 353 G HA3 -0.303 3.617 3.960 -0.067 0.000 0.218 353 G C 1.441 176.610 174.900 0.447 0.000 1.180 353 G CA 0.999 46.337 45.100 0.395 0.000 0.774 353 G HN 0.278 nan 8.290 nan 0.000 0.562 354 V N 0.713 120.841 119.914 0.356 0.000 2.332 354 V HA -0.168 3.912 4.120 -0.067 0.000 0.248 354 V C 2.692 179.127 176.094 0.569 0.000 1.055 354 V CA 3.057 65.623 62.300 0.442 0.000 1.038 354 V CB -0.192 31.782 31.823 0.251 0.000 0.651 354 V HN 0.519 nan 8.190 nan 0.000 0.450 355 E N -0.507 119.945 120.200 0.420 0.000 2.051 355 E HA -0.300 4.010 4.350 -0.067 0.000 0.192 355 E C 1.858 178.760 176.600 0.503 0.000 0.991 355 E CA 2.388 59.039 56.400 0.417 0.000 0.799 355 E CB -0.826 29.055 29.700 0.301 0.000 0.748 355 E HN 0.784 nan 8.360 nan 0.000 0.449 356 W N 0.626 122.152 121.300 0.378 0.000 2.358 356 W HA -0.126 4.493 4.660 -0.067 0.000 0.303 356 W C 1.820 178.577 176.519 0.396 0.000 1.208 356 W CA 1.696 59.309 57.345 0.446 0.000 1.274 356 W CB -0.322 29.339 29.460 0.334 0.000 1.138 356 W HN 0.133 nan 8.180 nan 0.000 0.515 357 L N -0.488 121.115 121.223 0.633 0.000 1.990 357 L HA -0.269 4.031 4.340 -0.067 0.000 0.213 357 L C 2.452 179.381 176.870 0.098 0.000 1.072 357 L CA 1.841 56.912 54.840 0.385 0.000 0.755 357 L CB -0.979 41.328 42.059 0.413 0.000 0.889 357 L HN -0.023 nan 8.230 nan 0.000 0.432 358 F N -0.995 119.117 119.950 0.270 0.000 2.259 358 F HA -0.142 4.345 4.527 -0.066 0.000 0.298 358 F C 2.540 178.254 175.800 -0.143 0.000 1.088 358 F CA 1.263 59.318 58.000 0.091 0.000 1.358 358 F CB -0.572 38.529 39.000 0.170 0.000 1.040 358 F HN 0.002 nan 8.300 nan 0.000 0.505 359 T N -1.589 112.970 114.554 0.009 0.000 2.852 359 T HA -0.113 4.197 4.350 -0.067 0.000 0.256 359 T C 1.422 175.773 174.700 -0.581 0.000 1.038 359 T CA 1.357 63.291 62.100 -0.277 0.000 1.141 359 T CB -0.336 68.347 68.868 -0.308 0.000 0.869 359 T HN 0.151 nan 8.240 nan 0.000 0.439 360 Y N 0.524 120.506 120.300 -0.530 0.000 2.441 360 Y HA 0.270 4.780 4.550 -0.067 0.000 0.288 360 Y C 2.663 178.101 175.900 -0.769 0.000 1.118 360 Y CA 0.248 57.916 58.100 -0.721 0.000 1.215 360 Y CB 0.061 37.870 38.460 -1.086 0.000 1.118 360 Y HN 0.106 nan 8.280 nan 0.000 0.547 361 Q N 0.258 119.591 119.800 -0.777 0.000 2.297 361 Q HA -0.041 4.259 4.340 -0.067 0.000 0.203 361 Q C 0.633 176.217 176.000 -0.693 0.000 0.931 361 Q CA -0.012 55.435 55.803 -0.594 0.000 0.885 361 Q CB 0.395 28.902 28.738 -0.385 0.000 0.991 361 Q HN 0.336 nan 8.270 nan 0.000 0.498 362 Q N 1.453 120.676 119.800 -0.961 0.000 2.286 362 Q HA -0.068 4.232 4.340 -0.067 0.000 0.290 362 Q C -0.684 174.862 176.000 -0.757 0.000 1.049 362 Q CA 0.051 55.063 55.803 -1.317 0.000 0.923 362 Q CB 0.637 28.677 28.738 -1.164 0.000 1.183 362 Q HN 0.105 nan 8.270 nan 0.000 0.383 363 Q N 4.396 123.757 119.800 -0.731 0.000 2.312 363 Q HA 0.147 4.447 4.340 -0.067 0.000 0.236 363 Q C -1.593 174.221 176.000 -0.310 0.000 0.965 363 Q CA -1.852 53.685 55.803 -0.444 0.000 0.894 363 Q CB 0.512 29.005 28.738 -0.407 0.000 1.225 363 Q HN 0.591 nan 8.270 nan 0.000 0.478 364 P HA -0.174 nan 4.420 nan 0.000 0.221 364 P C 0.324 177.572 177.300 -0.086 0.000 1.145 364 P CA 1.339 64.359 63.100 -0.134 0.000 0.795 364 P CB 0.265 31.907 31.700 -0.098 0.000 0.775 365 D N -1.523 118.850 120.400 -0.046 0.000 2.349 365 D HA 0.071 4.671 4.640 -0.067 0.000 0.224 365 D C 1.552 177.877 176.300 0.042 0.000 1.029 365 D CA 0.863 54.884 54.000 0.034 0.000 0.879 365 D CB -0.569 40.297 40.800 0.110 0.000 0.906 365 D HN 0.291 nan 8.370 nan 0.000 0.528 366 G N 0.163 108.904 108.800 -0.098 0.000 2.307 366 G HA2 -0.240 3.680 3.960 -0.067 0.000 0.210 366 G HA3 -0.240 3.680 3.960 -0.067 0.000 0.210 366 G C 0.336 175.064 174.900 -0.286 0.000 1.005 366 G CA 0.112 45.139 45.100 -0.121 0.000 0.634 366 G HN 0.782 nan 8.290 nan 0.000 0.496 367 H N 0.553 119.183 119.070 -0.734 0.000 2.509 367 H HA 0.703 5.219 4.556 -0.067 0.000 0.359 367 H C -0.916 174.085 175.328 -0.545 0.000 1.253 367 H CA -0.819 54.740 56.048 -0.814 0.000 1.373 367 H CB 0.698 29.486 29.762 -1.622 0.000 1.555 367 H HN 0.038 nan 8.280 nan 0.000 0.586 368 F N 1.776 121.319 119.950 -0.679 0.000 2.421 368 F HA 0.313 4.800 4.527 -0.067 0.000 0.337 368 F C -1.777 173.670 175.800 -0.589 0.000 1.105 368 F CA -2.383 55.256 58.000 -0.601 0.000 1.049 368 F CB 1.444 40.240 39.000 -0.340 0.000 1.139 368 F HN 0.423 nan 8.300 nan 0.000 0.479 369 P HA -0.020 nan 4.420 nan 0.000 0.272 369 P C 0.110 177.363 177.300 -0.078 0.000 1.230 369 P CA -0.167 62.799 63.100 -0.222 0.000 0.788 369 P CB 0.912 32.478 31.700 -0.223 0.000 0.949 370 Q N 0.237 120.011 119.800 -0.044 0.000 2.084 370 Q HA -0.081 4.219 4.340 -0.067 0.000 0.202 370 Q C -0.005 175.874 176.000 -0.202 0.000 0.978 370 Q CA 1.442 57.225 55.803 -0.034 0.000 0.844 370 Q CB 0.110 28.849 28.738 0.002 0.000 0.898 370 Q HN 0.491 nan 8.270 nan 0.000 0.426 371 T N -0.723 113.661 114.554 -0.284 0.000 2.843 371 T HA 0.480 4.789 4.350 -0.067 0.000 0.302 371 T C -1.637 172.897 174.700 -0.276 0.000 1.232 371 T CA -0.183 61.623 62.100 -0.491 0.000 1.009 371 T CB 1.954 70.355 68.868 -0.778 0.000 1.254 371 T HN 0.380 nan 8.240 nan 0.000 0.504 372 S N 1.046 116.605 115.700 -0.235 0.000 2.615 372 S HA 0.734 5.164 4.470 -0.067 0.000 0.269 372 S C -1.065 173.482 174.600 -0.089 0.000 1.161 372 S CA -1.020 57.110 58.200 -0.117 0.000 0.817 372 S CB 1.889 65.073 63.200 -0.027 0.000 1.131 372 S HN 0.783 nan 8.310 nan 0.000 0.467 373 R N -0.054 120.399 120.500 -0.077 0.000 2.553 373 R HA 0.552 4.852 4.340 -0.067 0.000 0.263 373 R C 1.646 177.891 176.300 -0.092 0.000 1.066 373 R CA -0.113 55.930 56.100 -0.096 0.000 1.135 373 R CB 0.934 31.161 30.300 -0.122 0.000 1.148 373 R HN 0.802 nan 8.270 nan 0.000 0.558 374 V N -0.765 119.030 119.914 -0.198 0.000 2.688 374 V HA -0.172 3.908 4.120 -0.067 0.000 0.256 374 V C 1.280 177.042 176.094 -0.552 0.000 1.084 374 V CA 2.011 64.143 62.300 -0.280 0.000 1.103 374 V CB -0.748 30.886 31.823 -0.316 0.000 0.688 374 V HN 0.933 nan 8.190 nan 0.000 0.480 375 D N 0.295 120.231 120.400 -0.773 0.000 2.340 375 D HA 0.221 4.821 4.640 -0.067 0.000 0.220 375 D C 1.649 177.625 176.300 -0.541 0.000 1.039 375 D CA 0.808 54.066 54.000 -1.237 0.000 0.866 375 D CB 0.344 40.700 40.800 -0.740 0.000 0.913 375 D HN 0.836 nan 8.370 nan 0.000 0.523 376 G N -0.125 108.530 108.800 -0.242 0.000 2.195 376 G HA2 -0.258 3.662 3.960 -0.067 0.000 0.246 376 G HA3 -0.258 3.662 3.960 -0.067 0.000 0.246 376 G C 0.430 175.233 174.900 -0.161 0.000 0.984 376 G CA 0.207 45.189 45.100 -0.195 0.000 0.633 376 G HN 0.417 nan 8.290 nan 0.000 0.525 377 T N 1.743 116.208 114.554 -0.147 0.000 2.793 377 T HA 0.329 4.639 4.350 -0.067 0.000 0.289 377 T C 0.973 175.605 174.700 -0.112 0.000 0.956 377 T CA 0.278 62.308 62.100 -0.116 0.000 1.177 377 T CB 0.870 69.679 68.868 -0.099 0.000 0.897 377 T HN 0.543 nan 8.240 nan 0.000 0.533 378 I N 3.454 123.955 120.570 -0.115 0.000 2.845 378 I HA 0.181 4.311 4.170 -0.067 0.000 0.296 378 I C 1.165 177.223 176.117 -0.099 0.000 1.216 378 I CA 0.583 61.813 61.300 -0.116 0.000 1.438 378 I CB 0.355 38.289 38.000 -0.110 0.000 1.342 378 I HN 0.736 nan 8.210 nan 0.000 0.577 379 G N 5.981 114.709 108.800 -0.121 0.000 2.601 379 G HA2 0.167 4.087 3.960 -0.067 0.000 0.214 379 G HA3 0.167 4.087 3.960 -0.067 0.000 0.214 379 G C -0.209 174.637 174.900 -0.090 0.000 2.067 379 G CA -0.269 44.764 45.100 -0.113 0.000 0.774 379 G HN 0.626 nan 8.290 nan 0.000 0.729 380 Q N 0.384 120.111 119.800 -0.122 0.000 2.299 380 Q HA 0.263 4.563 4.340 -0.067 0.000 0.246 380 Q C -0.559 175.412 176.000 -0.048 0.000 0.935 380 Q CA -0.219 55.548 55.803 -0.060 0.000 0.887 380 Q CB 1.245 29.953 28.738 -0.050 0.000 1.223 380 Q HN 0.398 nan 8.270 nan 0.000 0.439 381 N N 0.073 118.770 118.700 -0.004 0.000 2.282 381 N HA 0.144 4.844 4.740 -0.067 0.000 0.240 381 N C -0.422 175.115 175.510 0.044 0.000 1.182 381 N CA -0.127 52.933 53.050 0.016 0.000 0.874 381 N CB 0.599 39.096 38.487 0.016 0.000 1.126 381 N HN 0.652 nan 8.380 nan 0.000 0.516 382 G N 0.189 109.017 108.800 0.046 0.000 2.594 382 G HA2 0.293 4.213 3.960 -0.067 0.000 0.243 382 G HA3 0.293 4.213 3.960 -0.067 0.000 0.243 382 G C -0.164 174.779 174.900 0.072 0.000 1.229 382 G CA -0.314 44.819 45.100 0.054 0.000 0.843 382 G HN 0.203 nan 8.290 nan 0.000 0.578 383 I N 1.045 121.649 120.570 0.057 0.000 2.306 383 I HA 0.225 4.355 4.170 -0.067 0.000 0.288 383 I C 0.049 176.198 176.117 0.052 0.000 1.036 383 I CA -0.142 61.204 61.300 0.077 0.000 1.221 383 I CB 0.762 38.784 38.000 0.037 0.000 1.385 383 I HN 0.440 nan 8.210 nan 0.000 0.472 384 Q N 5.632 125.471 119.800 0.065 0.000 2.381 384 Q HA 0.400 4.700 4.340 -0.067 0.000 0.263 384 Q C 0.964 176.961 176.000 -0.005 0.000 1.030 384 Q CA -0.443 55.366 55.803 0.010 0.000 0.772 384 Q CB 2.438 31.187 28.738 0.019 0.000 1.232 384 Q HN 0.589 nan 8.270 nan 0.000 0.476 385 L N 1.804 123.007 121.223 -0.033 0.000 2.187 385 L HA -0.223 4.077 4.340 -0.067 0.000 0.213 385 L C 1.825 178.602 176.870 -0.155 0.000 1.100 385 L CA 1.081 55.901 54.840 -0.032 0.000 0.765 385 L CB -0.402 41.629 42.059 -0.047 0.000 0.904 385 L HN 0.737 nan 8.230 nan 0.000 0.437 386 D N 0.016 120.255 120.400 -0.269 0.000 2.269 386 D HA -0.208 4.391 4.640 -0.067 0.000 0.208 386 D C 1.470 177.447 176.300 -0.539 0.000 0.963 386 D CA 0.896 54.557 54.000 -0.565 0.000 0.864 386 D CB -0.200 40.212 40.800 -0.647 0.000 0.936 386 D HN 0.432 nan 8.370 nan 0.000 0.505 387 E N -0.238 119.827 120.200 -0.224 0.000 2.427 387 E HA -0.024 4.286 4.350 -0.067 0.000 0.196 387 E C 1.163 177.612 176.600 -0.252 0.000 1.028 387 E CA 0.638 56.959 56.400 -0.132 0.000 0.864 387 E CB 0.151 29.850 29.700 -0.002 0.000 0.813 387 E HN 0.304 nan 8.360 nan 0.000 0.514 388 T N 0.149 114.596 114.554 -0.179 0.000 3.040 388 T HA 0.138 4.448 4.350 -0.067 0.000 0.252 388 T C 1.839 176.426 174.700 -0.189 0.000 1.064 388 T CA 0.593 62.626 62.100 -0.113 0.000 1.110 388 T CB 0.302 69.235 68.868 0.109 0.000 0.921 388 T HN 0.170 nan 8.240 nan 0.000 0.480 389 A N 0.993 123.664 122.820 -0.248 0.000 1.874 389 A HA 0.116 4.396 4.320 -0.067 0.000 0.214 389 A C 1.783 179.223 177.584 -0.240 0.000 1.189 389 A CA 1.034 52.918 52.037 -0.256 0.000 0.615 389 A CB -0.833 17.938 19.000 -0.382 0.000 0.830 389 A HN 0.377 nan 8.150 nan 0.000 0.443 390 F N 0.836 120.604 119.950 -0.304 0.000 2.095 390 F HA -0.085 4.402 4.527 -0.067 0.000 0.298 390 F C -0.153 175.566 175.800 -0.135 0.000 1.104 390 F CA 1.504 59.286 58.000 -0.363 0.000 1.232 390 F CB -1.696 36.964 39.000 -0.568 0.000 0.987 390 F HN 0.234 nan 8.300 nan 0.000 0.475 391 P HA -0.175 nan 4.420 nan 0.000 0.218 391 P C 2.046 179.520 177.300 0.291 0.000 1.148 391 P CA 1.653 64.723 63.100 -0.050 0.000 0.822 391 P CB -0.128 31.095 31.700 -0.794 0.000 0.784 392 I N -0.675 120.033 120.570 0.229 0.000 2.202 392 I HA -0.205 3.925 4.170 -0.067 0.000 0.242 392 I C 2.594 178.852 176.117 0.235 0.000 1.091 392 I CA 1.214 62.696 61.300 0.304 0.000 1.368 392 I CB -0.627 37.475 38.000 0.170 0.000 1.058 392 I HN -0.148 nan 8.210 nan 0.000 0.410 393 L N -0.235 121.108 121.223 0.200 0.000 2.191 393 L HA -0.218 4.082 4.340 -0.067 0.000 0.212 393 L C 2.449 179.465 176.870 0.244 0.000 1.103 393 L CA 0.694 55.666 54.840 0.220 0.000 0.769 393 L CB -0.364 41.854 42.059 0.265 0.000 0.908 393 L HN 0.267 nan 8.230 nan 0.000 0.438 394 L N -0.141 121.248 121.223 0.277 0.000 2.072 394 L HA -0.088 4.212 4.340 -0.067 0.000 0.205 394 L C 2.704 179.674 176.870 0.168 0.000 1.079 394 L CA 1.956 56.923 54.840 0.212 0.000 0.752 394 L CB -1.011 41.183 42.059 0.225 0.000 0.906 394 L HN 0.147 nan 8.230 nan 0.000 0.436 395 A N -0.830 122.123 122.820 0.223 0.000 1.969 395 A HA -0.241 4.039 4.320 -0.067 0.000 0.218 395 A C 2.144 179.780 177.584 0.087 0.000 1.169 395 A CA 1.763 53.882 52.037 0.138 0.000 0.635 395 A CB -0.799 18.349 19.000 0.247 0.000 0.810 395 A HN 0.561 nan 8.150 nan 0.000 0.445 396 N N -0.414 118.359 118.700 0.120 0.000 2.171 396 N HA -0.205 4.495 4.740 -0.067 0.000 0.184 396 N C 1.907 177.452 175.510 0.058 0.000 1.021 396 N CA 1.777 54.879 53.050 0.087 0.000 0.854 396 N CB -0.330 38.218 38.487 0.100 0.000 0.994 396 N HN 0.599 nan 8.380 nan 0.000 0.426 397 Q N -0.738 119.103 119.800 0.068 0.000 2.167 397 Q HA -0.061 4.239 4.340 -0.067 0.000 0.202 397 Q C 1.201 177.210 176.000 0.016 0.000 0.970 397 Q CA 1.099 56.926 55.803 0.040 0.000 0.855 397 Q CB 0.025 28.786 28.738 0.039 0.000 0.911 397 Q HN 0.395 nan 8.270 nan 0.000 0.438 398 I N -0.539 120.038 120.570 0.011 0.000 3.419 398 I HA 0.107 4.237 4.170 -0.067 0.000 0.286 398 I C 1.319 177.416 176.117 -0.032 0.000 1.268 398 I CA 1.153 62.446 61.300 -0.011 0.000 1.414 398 I CB 0.278 38.271 38.000 -0.012 0.000 1.074 398 I HN 0.424 nan 8.210 nan 0.000 0.457 399 G N 0.738 109.520 108.800 -0.030 0.000 2.159 399 G HA2 -0.350 3.570 3.960 -0.067 0.000 0.256 399 G HA3 -0.350 3.570 3.960 -0.067 0.000 0.256 399 G C 0.806 175.653 174.900 -0.088 0.000 0.977 399 G CA 0.210 45.285 45.100 -0.042 0.000 0.652 399 G HN 0.275 nan 8.290 nan 0.000 0.531 400 R N 1.643 122.047 120.500 -0.159 0.000 2.853 400 R HA 0.441 4.741 4.340 -0.067 0.000 0.238 400 R C 1.433 177.571 176.300 -0.270 0.000 1.538 400 R CA 0.898 56.783 56.100 -0.358 0.000 1.166 400 R CB -0.733 29.166 30.300 -0.668 0.000 1.201 400 R HN 0.482 nan 8.270 nan 0.000 0.606 401 T N -1.251 113.247 114.554 -0.092 0.000 3.275 401 T HA 0.123 4.433 4.350 -0.067 0.000 0.298 401 T C -0.184 174.568 174.700 0.086 0.000 0.988 401 T CA -0.414 61.719 62.100 0.056 0.000 0.936 401 T CB -0.558 68.323 68.868 0.023 0.000 1.159 401 T HN 0.542 nan 8.240 nan 0.000 0.519 402 D N 1.391 121.830 120.400 0.065 0.000 2.423 402 D HA 0.452 5.051 4.640 -0.067 0.000 0.238 402 D C 1.671 178.069 176.300 0.163 0.000 1.142 402 D CA -0.029 54.020 54.000 0.083 0.000 0.884 402 D CB 0.887 41.719 40.800 0.053 0.000 1.199 402 D HN 0.100 nan 8.370 nan 0.000 0.438 403 A N 2.906 125.800 122.820 0.123 0.000 1.927 403 A HA -0.178 4.102 4.320 -0.067 0.000 0.220 403 A C 2.165 179.856 177.584 0.178 0.000 1.185 403 A CA 2.108 54.242 52.037 0.161 0.000 0.639 403 A CB -1.543 17.517 19.000 0.099 0.000 0.820 403 A HN 0.764 nan 8.150 nan 0.000 0.451 404 G N -1.714 107.165 108.800 0.132 0.000 2.404 404 G HA2 -0.193 3.727 3.960 -0.067 0.000 0.215 404 G HA3 -0.193 3.727 3.960 -0.067 0.000 0.215 404 G C 1.477 176.439 174.900 0.104 0.000 1.174 404 G CA 1.030 46.188 45.100 0.097 0.000 0.780 404 G HN 0.539 nan 8.290 nan 0.000 0.537 405 F N 0.141 120.089 119.950 -0.004 0.000 2.216 405 F HA -0.066 4.421 4.527 -0.066 0.000 0.300 405 F C 2.261 178.028 175.800 -0.054 0.000 1.085 405 F CA 1.420 59.386 58.000 -0.058 0.000 1.326 405 F CB -0.085 38.869 39.000 -0.078 0.000 1.027 405 F HN 0.221 nan 8.300 nan 0.000 0.497 406 Y N 1.185 121.506 120.300 0.035 0.000 2.133 406 Y HA -0.143 4.367 4.550 -0.066 0.000 0.287 406 Y C 2.477 178.325 175.900 -0.086 0.000 1.134 406 Y CA 1.644 59.724 58.100 -0.033 0.000 1.133 406 Y CB -0.596 37.891 38.460 0.044 0.000 0.987 406 Y HN -0.184 nan 8.280 nan 0.000 0.502 407 R N 0.703 121.014 120.500 -0.315 0.000 2.070 407 R HA -0.152 4.148 4.340 -0.067 0.000 0.233 407 R C 1.737 177.859 176.300 -0.296 0.000 1.137 407 R CA 2.065 57.949 56.100 -0.359 0.000 0.945 407 R CB -1.401 28.829 30.300 -0.116 0.000 0.845 407 R HN 0.605 nan 8.270 nan 0.000 0.430 408 N N -0.263 118.302 118.700 -0.224 0.000 2.392 408 N HA -0.044 4.656 4.740 -0.067 0.000 0.177 408 N C 1.113 176.478 175.510 -0.242 0.000 1.066 408 N CA 0.286 53.221 53.050 -0.191 0.000 0.895 408 N CB 0.338 38.750 38.487 -0.125 0.000 0.988 408 N HN 0.100 nan 8.380 nan 0.000 0.457 409 E N 0.203 120.157 120.200 -0.411 0.000 2.538 409 E HA 0.207 4.517 4.350 -0.067 0.000 0.188 409 E C 1.508 177.834 176.600 -0.457 0.000 1.014 409 E CA -0.223 55.860 56.400 -0.529 0.000 1.140 409 E CB -0.355 28.591 29.700 -1.257 0.000 1.262 409 E HN -0.075 nan 8.360 nan 0.000 0.488 410 L N 1.673 122.439 121.223 -0.761 0.000 1.994 410 L HA -0.151 4.149 4.340 -0.067 0.000 0.208 410 L C 2.226 179.015 176.870 -0.135 0.000 1.071 410 L CA 1.977 56.611 54.840 -0.343 0.000 0.745 410 L CB -0.690 41.266 42.059 -0.171 0.000 0.892 410 L HN 0.187 nan 8.230 nan 0.000 0.431 411 K N -0.191 120.024 120.400 -0.307 0.000 2.074 411 K HA -0.151 4.129 4.320 -0.067 0.000 0.209 411 K C -0.525 176.042 176.600 -0.054 0.000 1.048 411 K CA 1.808 57.962 56.287 -0.222 0.000 0.926 411 K CB -0.757 31.423 32.500 -0.533 0.000 0.713 411 K HN 0.263 nan 8.250 nan 0.000 0.444 412 P HA -0.137 nan 4.420 nan 0.000 0.217 412 P C 0.939 178.287 177.300 0.081 0.000 1.150 412 P CA 1.738 64.838 63.100 0.001 0.000 0.832 412 P CB -0.038 31.637 31.700 -0.042 0.000 0.787 413 A N 0.647 123.528 122.820 0.102 0.000 1.898 413 A HA -0.044 4.236 4.320 -0.067 0.000 0.216 413 A C 2.475 180.144 177.584 0.141 0.000 1.181 413 A CA 2.162 54.303 52.037 0.174 0.000 0.620 413 A CB -1.508 17.686 19.000 0.323 0.000 0.819 413 A HN 0.215 nan 8.150 nan 0.000 0.442 414 A N -0.144 122.691 122.820 0.025 0.000 1.930 414 A HA -0.125 4.155 4.320 -0.067 0.000 0.217 414 A C 1.731 179.303 177.584 -0.019 0.000 1.175 414 A CA 1.804 53.736 52.037 -0.175 0.000 0.627 414 A CB -0.532 18.081 19.000 -0.644 0.000 0.815 414 A HN 0.430 nan 8.150 nan 0.000 0.443 415 D N -1.656 118.829 120.400 0.141 0.000 2.144 415 D HA -0.147 4.453 4.640 -0.067 0.000 0.199 415 D C 1.602 177.992 176.300 0.149 0.000 0.984 415 D CA 1.294 55.411 54.000 0.194 0.000 0.834 415 D CB -0.410 40.479 40.800 0.147 0.000 0.955 415 D HN 0.603 nan 8.370 nan 0.000 0.465 416 Y N 0.810 121.141 120.300 0.052 0.000 2.145 416 Y HA -0.209 4.300 4.550 -0.067 0.000 0.286 416 Y C 1.998 177.935 175.900 0.061 0.000 1.145 416 Y CA 1.106 59.234 58.100 0.047 0.000 1.148 416 Y CB -0.217 38.280 38.460 0.062 0.000 0.981 416 Y HN -0.111 nan 8.280 nan 0.000 0.507 417 L N -0.758 120.593 121.223 0.215 0.000 2.042 417 L HA -0.212 4.088 4.340 -0.067 0.000 0.210 417 L C 2.490 179.468 176.870 0.181 0.000 1.076 417 L CA 1.368 56.318 54.840 0.182 0.000 0.749 417 L CB -1.343 40.816 42.059 0.166 0.000 0.893 417 L HN 0.162 nan 8.230 nan 0.000 0.432 418 V N -0.509 119.477 119.914 0.120 0.000 2.343 418 V HA -0.272 3.808 4.120 -0.067 0.000 0.247 418 V C 2.660 178.810 176.094 0.093 0.000 1.051 418 V CA 1.587 63.958 62.300 0.118 0.000 1.036 418 V CB -1.105 30.793 31.823 0.124 0.000 0.654 418 V HN 0.498 nan 8.190 nan 0.000 0.451 419 A N -0.114 122.702 122.820 -0.007 0.000 1.930 419 A HA -0.001 4.279 4.320 -0.067 0.000 0.217 419 A C 2.362 179.854 177.584 -0.154 0.000 1.175 419 A CA 1.680 53.665 52.037 -0.087 0.000 0.627 419 A CB -0.653 18.257 19.000 -0.151 0.000 0.815 419 A HN 0.561 nan 8.150 nan 0.000 0.443 420 A N -1.136 121.536 122.820 -0.247 0.000 2.067 420 A HA 0.396 4.676 4.320 -0.067 0.000 0.219 420 A C 1.666 179.164 177.584 -0.144 0.000 1.158 420 A CA 1.549 53.423 52.037 -0.272 0.000 0.661 420 A CB -1.214 17.591 19.000 -0.325 0.000 0.801 420 A HN 2.160 nan 8.150 nan 0.000 0.452 421 G N -1.516 107.294 108.800 0.017 0.000 2.796 421 G HA2 -0.153 3.767 3.960 -0.067 0.000 0.571 421 G HA3 -0.153 3.767 3.960 -0.067 0.000 0.571 421 G C -1.253 173.409 174.900 -0.397 0.000 1.370 421 G CA -0.148 44.951 45.100 -0.001 0.000 0.856 421 G HN 0.214 nan 8.290 nan 0.000 0.538 422 P HA 0.024 nan 4.420 nan 0.000 0.225 422 P C 0.554 177.274 177.300 -0.967 0.000 1.156 422 P CA 1.010 63.259 63.100 -1.418 0.000 0.787 422 P CB 0.115 30.864 31.700 -1.584 0.000 0.802 423 K N 0.194 120.060 120.400 -0.889 0.000 2.276 423 K HA 0.332 4.612 4.320 -0.067 0.000 0.283 423 K C 0.363 176.682 176.600 -0.468 0.000 1.044 423 K CA -0.146 55.658 56.287 -0.804 0.000 0.944 423 K CB 0.726 32.716 32.500 -0.849 0.000 1.012 423 K HN -0.183 nan 8.250 nan 0.000 0.472 424 T N 3.115 117.451 114.554 -0.365 0.000 2.829 424 T HA 0.239 4.549 4.350 -0.067 0.000 0.282 424 T C -1.659 172.930 174.700 -0.185 0.000 0.990 424 T CA -2.559 59.402 62.100 -0.231 0.000 1.028 424 T CB 0.926 69.680 68.868 -0.191 0.000 0.951 424 T HN 0.342 nan 8.240 nan 0.000 0.460 425 P HA -0.019 nan 4.420 nan 0.000 0.219 425 P C -0.062 177.191 177.300 -0.079 0.000 1.150 425 P CA 0.992 64.029 63.100 -0.105 0.000 0.814 425 P CB 0.408 32.064 31.700 -0.073 0.000 0.787 426 Q N -0.434 119.328 119.800 -0.064 0.000 2.331 426 Q HA 0.239 4.539 4.340 -0.067 0.000 0.272 426 Q C -0.472 175.488 176.000 -0.068 0.000 1.062 426 Q CA -0.787 54.991 55.803 -0.042 0.000 0.806 426 Q CB 2.281 31.022 28.738 0.004 0.000 1.312 426 Q HN 0.004 nan 8.270 nan 0.000 0.431 427 E N 1.405 121.559 120.200 -0.078 0.000 2.790 427 E HA 0.178 4.488 4.350 -0.067 0.000 0.256 427 E C 0.668 177.166 176.600 -0.170 0.000 1.246 427 E CA -0.640 55.674 56.400 -0.143 0.000 1.041 427 E CB 0.311 29.919 29.700 -0.154 0.000 1.272 427 E HN 0.603 nan 8.360 nan 0.000 0.603 428 R N -0.570 119.727 120.500 -0.338 0.000 2.193 428 R HA -0.056 4.244 4.340 -0.067 0.000 0.229 428 R C 1.057 177.176 176.300 -0.301 0.000 1.110 428 R CA 1.387 57.244 56.100 -0.405 0.000 0.988 428 R CB -0.453 29.477 30.300 -0.615 0.000 0.871 428 R HN 0.614 nan 8.270 nan 0.000 0.458 429 W N 1.833 123.136 121.300 0.005 0.000 3.256 429 W HA 0.152 4.771 4.660 -0.067 0.000 0.269 429 W C -0.328 176.191 176.519 -0.000 0.000 1.310 429 W CA -0.503 56.832 57.345 -0.017 0.000 1.673 429 W CB 0.222 29.677 29.460 -0.008 0.000 1.115 429 W HN 0.163 nan 8.180 nan 0.000 0.686 430 E N 0.039 120.338 120.200 0.166 0.000 2.389 430 E HA -0.278 4.032 4.350 -0.067 0.000 0.243 430 E C 0.169 176.845 176.600 0.127 0.000 1.154 430 E CA 0.916 57.398 56.400 0.137 0.000 0.723 430 E CB -1.772 28.044 29.700 0.193 0.000 1.261 430 E HN 0.612 nan 8.360 nan 0.000 0.390 431 E N -0.649 119.617 120.200 0.110 0.000 2.564 431 E HA 0.058 4.368 4.350 -0.067 0.000 0.203 431 E C 0.707 177.326 176.600 0.032 0.000 0.867 431 E CA 1.048 57.505 56.400 0.095 0.000 1.250 431 E CB 0.719 30.503 29.700 0.141 0.000 1.215 431 E HN 0.349 nan 8.360 nan 0.000 0.566 432 T N -1.115 113.439 114.554 -0.000 0.000 2.887 432 T HA 0.718 5.028 4.350 -0.067 0.000 0.292 432 T C 0.137 174.793 174.700 -0.073 0.000 1.087 432 T CA -0.663 61.397 62.100 -0.066 0.000 1.009 432 T CB 2.046 70.827 68.868 -0.146 0.000 1.203 432 T HN 0.109 nan 8.240 nan 0.000 0.518 433 G N -1.926 106.810 108.800 -0.106 0.000 2.735 433 G HA2 0.838 4.758 3.960 -0.067 0.000 0.301 433 G HA3 0.838 4.758 3.960 -0.067 0.000 0.301 433 G C 0.045 174.860 174.900 -0.142 0.000 1.279 433 G CA -0.442 44.583 45.100 -0.125 0.000 1.019 433 G HN 1.653 nan 8.290 nan 0.000 0.497 434 G N -1.779 106.896 108.800 -0.208 0.000 2.298 434 G HA2 0.128 4.048 3.960 -0.067 0.000 0.309 434 G HA3 0.128 4.048 3.960 -0.067 0.000 0.309 434 G C -1.320 173.384 174.900 -0.327 0.000 1.279 434 G CA -0.879 44.068 45.100 -0.255 0.000 1.042 434 G HN 0.755 nan 8.290 nan 0.000 0.480 435 Y N 1.465 121.646 120.300 -0.199 0.000 2.624 435 Y HA 0.533 5.043 4.550 -0.067 0.000 0.354 435 Y C 1.153 177.012 175.900 -0.069 0.000 1.051 435 Y CA 0.610 58.588 58.100 -0.203 0.000 1.377 435 Y CB 1.213 39.537 38.460 -0.227 0.000 1.168 435 Y HN 0.555 nan 8.280 nan 0.000 0.525 436 S N 1.778 117.482 115.700 0.006 0.000 2.457 436 S HA 0.153 4.583 4.470 -0.067 0.000 0.289 436 S C 1.276 175.874 174.600 -0.004 0.000 1.163 436 S CA -0.228 57.969 58.200 -0.005 0.000 1.078 436 S CB 0.687 63.829 63.200 -0.096 0.000 0.987 436 S HN 0.823 nan 8.310 nan 0.000 0.482 437 T N 2.613 117.162 114.554 -0.008 0.000 2.708 437 T HA -0.133 4.177 4.350 -0.067 0.000 0.266 437 T C 2.030 176.444 174.700 -0.477 0.000 1.037 437 T CA 1.781 63.780 62.100 -0.167 0.000 1.146 437 T CB -0.977 67.757 68.868 -0.223 0.000 0.865 437 T HN 0.560 nan 8.240 nan 0.000 0.435 438 S N 1.049 116.534 115.700 -0.358 0.000 2.353 438 S HA -0.167 4.263 4.470 -0.067 0.000 0.222 438 S C 2.254 176.665 174.600 -0.315 0.000 1.035 438 S CA 2.139 60.118 58.200 -0.368 0.000 1.025 438 S CB -1.203 61.807 63.200 -0.318 0.000 0.902 438 S HN 0.713 nan 8.310 nan 0.000 0.440 439 T N 2.076 116.476 114.554 -0.257 0.000 2.896 439 T HA 0.068 4.378 4.350 -0.067 0.000 0.263 439 T C 1.647 176.240 174.700 -0.178 0.000 1.050 439 T CA 0.988 62.938 62.100 -0.251 0.000 1.140 439 T CB -0.358 68.374 68.868 -0.227 0.000 0.877 439 T HN 0.238 nan 8.240 nan 0.000 0.457 440 L N 1.461 122.630 121.223 -0.090 0.000 2.191 440 L HA 0.157 4.457 4.340 -0.067 0.000 0.212 440 L C 2.489 179.449 176.870 0.151 0.000 1.103 440 L CA 1.115 55.984 54.840 0.048 0.000 0.769 440 L CB -0.926 41.234 42.059 0.168 0.000 0.908 440 L HN 0.217 nan 8.230 nan 0.000 0.438 441 A N -1.109 121.744 122.820 0.055 0.000 1.902 441 A HA -0.207 4.073 4.320 -0.067 0.000 0.217 441 A C 2.490 180.096 177.584 0.038 0.000 1.181 441 A CA 1.937 54.042 52.037 0.114 0.000 0.623 441 A CB -0.953 17.931 19.000 -0.194 0.000 0.818 441 A HN 0.600 nan 8.150 nan 0.000 0.443 442 S N -0.714 114.913 115.700 -0.122 0.000 2.406 442 S HA -0.180 4.250 4.470 -0.067 0.000 0.228 442 S C 1.945 176.466 174.600 -0.132 0.000 1.020 442 S CA 1.211 59.270 58.200 -0.235 0.000 0.965 442 S CB -0.455 62.329 63.200 -0.693 0.000 0.798 442 S HN 0.652 nan 8.310 nan 0.000 0.488 443 Q N 0.861 120.638 119.800 -0.038 0.000 2.050 443 Q HA 0.042 4.342 4.340 -0.067 0.000 0.202 443 Q C 2.218 178.346 176.000 0.213 0.000 0.980 443 Q CA 1.839 57.715 55.803 0.122 0.000 0.840 443 Q CB -0.437 28.447 28.738 0.243 0.000 0.898 443 Q HN 0.616 nan 8.270 nan 0.000 0.424 444 I N 0.355 121.072 120.570 0.246 0.000 2.179 444 I HA -0.265 3.865 4.170 -0.067 0.000 0.242 444 I C 2.392 178.602 176.117 0.155 0.000 1.088 444 I CA 1.005 62.426 61.300 0.203 0.000 1.357 444 I CB -0.406 37.683 38.000 0.148 0.000 1.051 444 I HN 0.167 nan 8.210 nan 0.000 0.409 445 A N 0.679 123.584 122.820 0.142 0.000 1.930 445 A HA -0.104 4.176 4.320 -0.067 0.000 0.217 445 A C 2.521 180.169 177.584 0.106 0.000 1.175 445 A CA 1.718 53.849 52.037 0.157 0.000 0.627 445 A CB -0.738 18.347 19.000 0.141 0.000 0.815 445 A HN 0.433 nan 8.150 nan 0.000 0.443 446 A N -0.303 122.549 122.820 0.053 0.000 1.898 446 A HA 0.009 4.289 4.320 -0.067 0.000 0.216 446 A C 2.151 179.730 177.584 -0.008 0.000 1.181 446 A CA 1.391 53.441 52.037 0.021 0.000 0.620 446 A CB -0.519 18.466 19.000 -0.025 0.000 0.819 446 A HN 0.457 nan 8.150 nan 0.000 0.442 447 L N -0.970 120.244 121.223 -0.015 0.000 2.109 447 L HA -0.142 4.158 4.340 -0.067 0.000 0.207 447 L C 3.052 179.923 176.870 0.002 0.000 1.086 447 L CA 0.950 55.739 54.840 -0.086 0.000 0.760 447 L CB -0.476 41.518 42.059 -0.109 0.000 0.910 447 L HN 0.454 nan 8.230 nan 0.000 0.437 448 A N -0.097 122.773 122.820 0.083 0.000 1.930 448 A HA -0.083 4.197 4.320 -0.067 0.000 0.217 448 A C 2.490 180.113 177.584 0.066 0.000 1.175 448 A CA 1.482 53.585 52.037 0.109 0.000 0.627 448 A CB -0.478 18.650 19.000 0.213 0.000 0.815 448 A HN 0.386 nan 8.150 nan 0.000 0.443 449 A N -0.084 122.775 122.820 0.066 0.000 1.897 449 A HA 0.240 4.520 4.320 -0.067 0.000 0.215 449 A C 2.471 180.088 177.584 0.055 0.000 1.181 449 A CA 1.771 53.842 52.037 0.058 0.000 0.620 449 A CB -0.952 18.093 19.000 0.074 0.000 0.821 449 A HN 1.003 nan 8.150 nan 0.000 0.443 450 A N -0.081 122.758 122.820 0.032 0.000 1.972 450 A HA 0.159 4.439 4.320 -0.067 0.000 0.219 450 A C 2.439 180.138 177.584 0.191 0.000 1.169 450 A CA 1.979 54.038 52.037 0.037 0.000 0.635 450 A CB -0.864 17.985 19.000 -0.252 0.000 0.810 450 A HN 0.993 nan 8.150 nan 0.000 0.446 451 A N 0.113 123.050 122.820 0.195 0.000 1.898 451 A HA -0.162 4.118 4.320 -0.067 0.000 0.216 451 A C 1.759 179.380 177.584 0.061 0.000 1.181 451 A CA 1.790 53.951 52.037 0.207 0.000 0.620 451 A CB -0.492 18.586 19.000 0.129 0.000 0.819 451 A HN 0.458 nan 8.150 nan 0.000 0.442 452 D N 0.036 120.453 120.400 0.028 0.000 2.144 452 D HA -0.076 4.524 4.640 -0.067 0.000 0.200 452 D C 1.868 178.143 176.300 -0.042 0.000 0.978 452 D CA 0.967 54.958 54.000 -0.016 0.000 0.833 452 D CB -0.321 40.471 40.800 -0.014 0.000 0.961 452 D HN 0.519 nan 8.370 nan 0.000 0.470 453 I N 1.108 121.668 120.570 -0.018 0.000 2.315 453 I HA -0.221 3.909 4.170 -0.067 0.000 0.248 453 I C 2.432 178.386 176.117 -0.271 0.000 1.117 453 I CA 0.864 62.125 61.300 -0.066 0.000 1.404 453 I CB -0.165 37.862 38.000 0.044 0.000 1.071 453 I HN -0.077 nan 8.210 nan 0.000 0.419 454 A N 0.878 123.551 122.820 -0.244 0.000 1.897 454 A HA -0.058 4.222 4.320 -0.067 0.000 0.215 454 A C 2.434 179.810 177.584 -0.346 0.000 1.181 454 A CA 1.644 53.376 52.037 -0.508 0.000 0.620 454 A CB -1.285 17.689 19.000 -0.043 0.000 0.821 454 A HN 0.437 nan 8.150 nan 0.000 0.443 455 G N 0.132 108.819 108.800 -0.189 0.000 2.418 455 G HA2 -0.286 3.634 3.960 -0.067 0.000 0.217 455 G HA3 -0.286 3.634 3.960 -0.067 0.000 0.217 455 G C 1.618 176.432 174.900 -0.144 0.000 1.158 455 G CA 1.257 46.268 45.100 -0.148 0.000 0.771 455 G HN 0.651 nan 8.290 nan 0.000 0.545 456 K N 0.552 120.863 120.400 -0.148 0.000 2.097 456 K HA -0.062 4.218 4.320 -0.067 0.000 0.206 456 K C 1.495 178.012 176.600 -0.138 0.000 1.049 456 K CA 1.256 57.472 56.287 -0.119 0.000 0.933 456 K CB -0.198 32.241 32.500 -0.101 0.000 0.717 456 K HN 0.179 nan 8.250 nan 0.000 0.442 457 N N 0.321 118.882 118.700 -0.230 0.000 2.362 457 N HA 0.015 4.715 4.740 -0.067 0.000 0.204 457 N C 0.391 175.815 175.510 -0.143 0.000 1.166 457 N CA 0.912 53.835 53.050 -0.211 0.000 0.831 457 N CB 0.787 39.040 38.487 -0.391 0.000 1.008 457 N HN 0.548 nan 8.380 nan 0.000 0.472 458 G N 1.511 110.237 108.800 -0.124 0.000 2.155 458 G HA2 -0.264 3.656 3.960 -0.067 0.000 0.257 458 G HA3 -0.264 3.656 3.960 -0.067 0.000 0.257 458 G C -0.008 174.846 174.900 -0.076 0.000 0.983 458 G CA 0.302 45.355 45.100 -0.078 0.000 0.676 458 G HN 0.397 nan 8.290 nan 0.000 0.528 459 D N 0.562 120.892 120.400 -0.117 0.000 2.639 459 D HA 0.655 5.255 4.640 -0.067 0.000 0.233 459 D C 1.626 177.820 176.300 -0.177 0.000 1.161 459 D CA 0.465 54.411 54.000 -0.090 0.000 1.003 459 D CB 0.074 40.883 40.800 0.014 0.000 1.034 459 D HN 0.374 nan 8.370 nan 0.000 0.514 460 A N 1.822 124.528 122.820 -0.190 0.000 1.972 460 A HA -0.032 4.248 4.320 -0.067 0.000 0.219 460 A C 2.091 179.269 177.584 -0.676 0.000 1.169 460 A CA 1.646 53.496 52.037 -0.312 0.000 0.635 460 A CB -0.599 18.302 19.000 -0.165 0.000 0.810 460 A HN 0.512 nan 8.150 nan 0.000 0.446 461 G N -0.789 107.640 108.800 -0.618 0.000 2.421 461 G HA2 -0.143 3.777 3.960 -0.067 0.000 0.216 461 G HA3 -0.143 3.777 3.960 -0.067 0.000 0.216 461 G C 1.812 176.374 174.900 -0.564 0.000 1.171 461 G CA 1.254 45.909 45.100 -0.742 0.000 0.775 461 G HN 0.495 nan 8.290 nan 0.000 0.543 462 S N 0.979 116.418 115.700 -0.435 0.000 2.402 462 S HA 0.086 4.516 4.470 -0.067 0.000 0.229 462 S C 2.728 176.859 174.600 -0.780 0.000 1.021 462 S CA 0.990 58.817 58.200 -0.621 0.000 0.974 462 S CB -0.239 62.702 63.200 -0.432 0.000 0.800 462 S HN 0.582 nan 8.310 nan 0.000 0.484 463 A N 1.741 124.297 122.820 -0.440 0.000 1.902 463 A HA 0.089 4.369 4.320 -0.067 0.000 0.217 463 A C 2.358 179.803 177.584 -0.233 0.000 1.181 463 A CA 1.681 53.571 52.037 -0.245 0.000 0.623 463 A CB -1.073 17.813 19.000 -0.189 0.000 0.818 463 A HN 0.511 nan 8.150 nan 0.000 0.443 464 A N -0.649 121.960 122.820 -0.351 0.000 1.898 464 A HA 0.025 4.305 4.320 -0.067 0.000 0.216 464 A C 2.226 179.707 177.584 -0.171 0.000 1.181 464 A CA 1.716 53.609 52.037 -0.240 0.000 0.620 464 A CB -0.892 17.920 19.000 -0.313 0.000 0.819 464 A HN 0.376 nan 8.150 nan 0.000 0.442 465 V N -1.147 118.613 119.914 -0.258 0.000 2.343 465 V HA -0.306 3.774 4.120 -0.067 0.000 0.247 465 V C 2.343 178.399 176.094 -0.063 0.000 1.051 465 V CA 1.937 64.127 62.300 -0.182 0.000 1.036 465 V CB -1.082 30.582 31.823 -0.264 0.000 0.654 465 V HN 0.722 nan 8.190 nan 0.000 0.451 466 Y N -0.274 119.963 120.300 -0.105 0.000 2.163 466 Y HA -0.221 4.289 4.550 -0.067 0.000 0.288 466 Y C 2.894 178.725 175.900 -0.115 0.000 1.136 466 Y CA 1.388 59.425 58.100 -0.105 0.000 1.147 466 Y CB -0.166 38.265 38.460 -0.050 0.000 0.987 466 Y HN 0.074 nan 8.280 nan 0.000 0.509 467 R N 0.337 120.885 120.500 0.081 0.000 2.066 467 R HA -0.130 4.170 4.340 -0.067 0.000 0.232 467 R C 2.518 178.817 176.300 -0.003 0.000 1.131 467 R CA 1.101 57.222 56.100 0.036 0.000 0.955 467 R CB -0.434 29.871 30.300 0.009 0.000 0.851 467 R HN 0.296 nan 8.270 nan 0.000 0.432 468 A N -0.122 122.678 122.820 -0.033 0.000 1.883 468 A HA -0.183 4.097 4.320 -0.067 0.000 0.217 468 A C 2.152 179.669 177.584 -0.111 0.000 1.186 468 A CA 2.195 54.204 52.037 -0.046 0.000 0.624 468 A CB -0.987 17.988 19.000 -0.042 0.000 0.822 468 A HN 0.396 nan 8.150 nan 0.000 0.444 469 T N 0.267 114.702 114.554 -0.197 0.000 2.674 469 T HA -0.023 4.287 4.350 -0.067 0.000 0.265 469 T C 2.269 176.565 174.700 -0.673 0.000 1.039 469 T CA 1.773 63.586 62.100 -0.477 0.000 1.150 469 T CB -0.574 67.966 68.868 -0.545 0.000 0.864 469 T HN 0.624 nan 8.240 nan 0.000 0.427 470 A N 2.072 124.657 122.820 -0.391 0.000 1.883 470 A HA -0.200 4.080 4.320 -0.067 0.000 0.217 470 A C 2.126 179.679 177.584 -0.052 0.000 1.186 470 A CA 2.026 53.951 52.037 -0.187 0.000 0.624 470 A CB -0.854 18.165 19.000 0.032 0.000 0.822 470 A HN 0.367 nan 8.150 nan 0.000 0.444 471 D N -0.766 119.650 120.400 0.027 0.000 2.104 471 D HA -0.155 4.445 4.640 -0.067 0.000 0.194 471 D C 1.922 178.220 176.300 -0.004 0.000 0.994 471 D CA 1.709 55.758 54.000 0.082 0.000 0.830 471 D CB -0.362 40.495 40.800 0.095 0.000 0.959 471 D HN 0.583 nan 8.370 nan 0.000 0.452 472 E N -0.222 119.958 120.200 -0.033 0.000 2.110 472 E HA -0.161 4.149 4.350 -0.067 0.000 0.193 472 E C 1.768 178.450 176.600 0.136 0.000 0.988 472 E CA 1.078 57.492 56.400 0.022 0.000 0.804 472 E CB -0.244 29.485 29.700 0.049 0.000 0.745 472 E HN 0.316 nan 8.360 nan 0.000 0.458 473 W N 0.730 122.037 121.300 0.012 0.000 2.476 473 W HA 0.079 4.699 4.660 -0.066 0.000 0.281 473 W C 2.248 178.695 176.519 -0.121 0.000 1.230 473 W CA 0.453 57.833 57.345 0.059 0.000 1.287 473 W CB -1.028 28.573 29.460 0.234 0.000 1.108 473 W HN 0.250 nan 8.180 nan 0.000 0.567 474 Q N 1.399 121.210 119.800 0.017 0.000 2.119 474 Q HA -0.169 4.131 4.340 -0.067 0.000 0.201 474 Q C 2.025 177.872 176.000 -0.256 0.000 0.972 474 Q CA 1.709 57.370 55.803 -0.235 0.000 0.847 474 Q CB -0.156 28.243 28.738 -0.566 0.000 0.903 474 Q HN 0.463 nan 8.270 nan 0.000 0.433 475 R N -1.005 119.373 120.500 -0.202 0.000 2.313 475 R HA 0.152 4.452 4.340 -0.067 0.000 0.199 475 R C 1.092 177.185 176.300 -0.344 0.000 0.958 475 R CA 0.779 56.744 56.100 -0.225 0.000 1.047 475 R CB 0.224 30.437 30.300 -0.145 0.000 0.955 475 R HN -0.076 nan 8.270 nan 0.000 0.481 476 S N -0.294 115.121 115.700 -0.474 0.000 2.559 476 S HA 0.064 4.494 4.470 -0.067 0.000 0.226 476 S C 1.060 175.249 174.600 -0.685 0.000 1.000 476 S CA -0.113 57.567 58.200 -0.867 0.000 0.948 476 S CB 0.818 62.971 63.200 -1.744 0.000 0.870 476 S HN 0.299 nan 8.310 nan 0.000 0.497 477 T N 3.008 117.353 114.554 -0.349 0.000 2.653 477 T HA -0.178 4.132 4.350 -0.067 0.000 0.268 477 T C 1.627 176.335 174.700 0.013 0.000 1.035 477 T CA 1.853 63.885 62.100 -0.114 0.000 1.154 477 T CB -0.252 68.384 68.868 -0.388 0.000 0.862 477 T HN 0.435 nan 8.240 nan 0.000 0.441 478 E N 0.456 120.503 120.200 -0.255 0.000 2.107 478 E HA 0.003 4.313 4.350 -0.067 0.000 0.191 478 E C 2.174 178.655 176.600 -0.198 0.000 0.982 478 E CA 0.677 56.859 56.400 -0.364 0.000 0.809 478 E CB -0.157 28.908 29.700 -1.058 0.000 0.756 478 E HN 0.173 nan 8.360 nan 0.000 0.459 479 K N -0.001 120.229 120.400 -0.284 0.000 2.097 479 K HA -0.137 4.143 4.320 -0.067 0.000 0.206 479 K C 1.323 177.892 176.600 -0.051 0.000 1.049 479 K CA 1.309 57.463 56.287 -0.222 0.000 0.933 479 K CB -0.248 32.024 32.500 -0.380 0.000 0.717 479 K HN 0.193 nan 8.250 nan 0.000 0.442 480 W N -0.643 120.572 121.300 -0.142 0.000 2.494 480 W HA 0.160 4.780 4.660 -0.066 0.000 0.286 480 W C 1.399 177.866 176.519 -0.086 0.000 1.218 480 W CA 0.541 57.738 57.345 -0.247 0.000 1.313 480 W CB -0.278 28.923 29.460 -0.433 0.000 1.105 480 W HN 0.083 nan 8.180 nan 0.000 0.561 481 M N -2.291 117.507 119.600 0.329 0.000 2.289 481 M HA 0.158 4.598 4.480 -0.067 0.000 0.335 481 M C -0.362 176.161 176.300 0.372 0.000 0.961 481 M CA 0.007 55.529 55.300 0.370 0.000 1.018 481 M CB 0.512 33.406 32.600 0.489 0.000 1.678 481 M HN -0.340 nan 8.290 nan 0.000 0.589 482 F N 1.824 121.791 119.950 0.028 0.000 2.350 482 F HA 0.405 4.892 4.527 -0.067 0.000 0.365 482 F C 0.531 176.214 175.800 -0.196 0.000 1.122 482 F CA -0.350 57.501 58.000 -0.249 0.000 1.139 482 F CB 0.762 39.416 39.000 -0.577 0.000 1.220 482 F HN -0.217 nan 8.300 nan 0.000 0.499 483 T N 3.312 117.520 114.554 -0.578 0.000 2.904 483 T HA 0.237 4.547 4.350 -0.067 0.000 0.290 483 T C 0.830 175.170 174.700 -0.600 0.000 1.018 483 T CA -0.092 61.718 62.100 -0.483 0.000 1.075 483 T CB 1.145 69.720 68.868 -0.487 0.000 0.986 483 T HN 0.748 nan 8.240 nan 0.000 0.523 484 T N 2.724 117.101 114.554 -0.296 0.000 3.043 484 T HA 0.147 4.457 4.350 -0.067 0.000 0.272 484 T C 0.739 175.346 174.700 -0.155 0.000 0.990 484 T CA -0.415 61.575 62.100 -0.183 0.000 0.897 484 T CB -0.026 68.829 68.868 -0.021 0.000 1.111 484 T HN 0.744 nan 8.240 nan 0.000 0.529 485 N N 0.758 119.353 118.700 -0.175 0.000 2.451 485 N HA 0.226 4.926 4.740 -0.067 0.000 0.271 485 N C 0.320 175.776 175.510 -0.090 0.000 1.410 485 N CA -0.482 52.510 53.050 -0.097 0.000 0.884 485 N CB -0.056 38.401 38.487 -0.049 0.000 1.332 485 N HN 0.159 nan 8.380 nan 0.000 0.498 486 G N 1.275 109.968 108.800 -0.179 0.000 2.483 486 G HA2 0.293 4.213 3.960 -0.067 0.000 0.248 486 G HA3 0.293 4.213 3.960 -0.067 0.000 0.248 486 G C -1.688 173.277 174.900 0.108 0.000 1.248 486 G CA -1.037 44.036 45.100 -0.044 0.000 0.838 486 G HN 0.114 nan 8.290 nan 0.000 0.566 487 P HA 0.117 nan 4.420 nan 0.000 0.258 487 P C -0.514 176.857 177.300 0.119 0.000 1.559 487 P CA 0.083 63.254 63.100 0.118 0.000 0.855 487 P CB 0.088 31.854 31.700 0.111 0.000 1.594 488 V N -0.912 119.107 119.914 0.174 0.000 2.686 488 V HA 0.558 4.638 4.120 -0.067 0.000 0.306 488 V C 1.140 177.303 176.094 0.115 0.000 1.065 488 V CA 0.009 62.358 62.300 0.082 0.000 0.894 488 V CB 1.201 32.969 31.823 -0.091 0.000 1.004 488 V HN 0.444 nan 8.190 nan 0.000 0.424 489 G N 4.789 113.619 108.800 0.049 0.000 2.672 489 G HA2 -0.376 3.544 3.960 -0.067 0.000 0.324 489 G HA3 -0.376 3.544 3.960 -0.067 0.000 0.324 489 G C 0.558 175.503 174.900 0.075 0.000 1.286 489 G CA 1.135 46.268 45.100 0.054 0.000 1.004 489 G HN 1.116 nan 8.290 nan 0.000 0.548 490 D N 0.995 121.447 120.400 0.086 0.000 2.363 490 D HA 0.352 4.952 4.640 -0.067 0.000 0.226 490 D C 1.945 178.278 176.300 0.055 0.000 1.020 490 D CA 1.420 55.460 54.000 0.066 0.000 0.892 490 D CB -0.518 40.319 40.800 0.060 0.000 0.900 490 D HN 2.090 nan 8.370 nan 0.000 0.531 491 G N -0.059 108.803 108.800 0.104 0.000 2.212 491 G HA2 -0.336 3.584 3.960 -0.067 0.000 0.266 491 G HA3 -0.336 3.584 3.960 -0.067 0.000 0.266 491 G C 0.103 174.819 174.900 -0.307 0.000 0.978 491 G CA 0.304 45.395 45.100 -0.015 0.000 0.632 491 G HN 0.480 nan 8.290 nan 0.000 0.537 492 K N 0.219 120.508 120.400 -0.184 0.000 2.316 492 K HA 0.650 4.930 4.320 -0.067 0.000 0.267 492 K C -0.430 175.910 176.600 -0.434 0.000 1.025 492 K CA -0.635 55.428 56.287 -0.375 0.000 0.896 492 K CB 1.007 33.525 32.500 0.029 0.000 1.124 492 K HN 0.709 nan 8.250 nan 0.000 0.451 493 Y N -1.016 118.615 120.300 -1.115 0.000 2.765 493 Y HA 0.223 4.733 4.550 -0.067 0.000 0.350 493 Y C -1.555 173.779 175.900 -0.944 0.000 1.196 493 Y CA -1.638 55.945 58.100 -0.862 0.000 1.119 493 Y CB 0.218 38.470 38.460 -0.347 0.000 1.368 493 Y HN 0.295 nan 8.280 nan 0.000 0.463 494 Y N 2.839 123.026 120.300 -0.189 0.000 2.377 494 Y HA 0.420 4.930 4.550 -0.067 0.000 0.330 494 Y C 0.495 176.494 175.900 0.166 0.000 1.108 494 Y CA -0.614 57.495 58.100 0.015 0.000 1.308 494 Y CB 0.810 39.329 38.460 0.098 0.000 1.216 494 Y HN 0.545 nan 8.280 nan 0.000 0.518 495 L N 1.196 122.615 121.223 0.327 0.000 2.448 495 L HA 0.497 4.797 4.340 -0.067 0.000 0.258 495 L C 1.311 178.350 176.870 0.281 0.000 1.104 495 L CA -0.889 54.131 54.840 0.300 0.000 0.800 495 L CB 0.287 42.472 42.059 0.210 0.000 1.241 495 L HN 0.586 nan 8.230 nan 0.000 0.472 496 R N -0.077 120.546 120.500 0.205 0.000 2.066 496 R HA 0.259 4.559 4.340 -0.067 0.000 0.232 496 R C -0.078 176.329 176.300 0.180 0.000 1.131 496 R CA 1.426 57.629 56.100 0.171 0.000 0.955 496 R CB 0.191 30.543 30.300 0.087 0.000 0.851 496 R HN 0.768 nan 8.270 nan 0.000 0.432 497 I N -0.543 120.168 120.570 0.235 0.000 2.785 497 I HA 0.133 4.263 4.170 -0.067 0.000 0.293 497 I C -1.829 174.435 176.117 0.245 0.000 1.446 497 I CA -0.525 60.905 61.300 0.217 0.000 1.028 497 I CB 2.217 40.319 38.000 0.170 0.000 1.349 497 I HN 0.033 nan 8.210 nan 0.000 0.438 498 S N 4.418 120.244 115.700 0.211 0.000 2.482 498 S HA 0.774 5.204 4.470 -0.067 0.000 0.303 498 S C 0.580 175.288 174.600 0.180 0.000 1.091 498 S CA 0.202 58.515 58.200 0.188 0.000 1.057 498 S CB 1.900 65.192 63.200 0.153 0.000 1.031 498 S HN 0.806 nan 8.310 nan 0.000 0.485 499 A N 2.981 125.865 122.820 0.107 0.000 1.935 499 A HA 0.077 4.357 4.320 -0.067 0.000 0.214 499 A C 2.047 179.689 177.584 0.096 0.000 1.178 499 A CA 1.671 53.737 52.037 0.048 0.000 0.640 499 A CB -1.042 17.952 19.000 -0.010 0.000 0.825 499 A HN 1.009 nan 8.150 nan 0.000 0.447 500 T N -5.290 109.325 114.554 0.101 0.000 3.037 500 T HA 0.408 4.718 4.350 -0.067 0.000 0.252 500 T C 1.396 176.119 174.700 0.039 0.000 1.073 500 T CA 1.206 63.357 62.100 0.085 0.000 1.091 500 T CB 0.292 69.183 68.868 0.039 0.000 0.935 500 T HN 1.671 nan 8.240 nan 0.000 0.488 501 G N 1.682 110.428 108.800 -0.089 0.000 2.141 501 G HA2 -0.237 3.683 3.960 -0.067 0.000 0.231 501 G HA3 -0.237 3.683 3.960 -0.067 0.000 0.231 501 G C -0.092 174.736 174.900 -0.120 0.000 0.984 501 G CA 0.016 44.788 45.100 -0.547 0.000 0.660 501 G HN 0.822 nan 8.290 nan 0.000 0.525 502 N N 0.782 119.468 118.700 -0.023 0.000 2.706 502 N HA 0.445 5.145 4.740 -0.067 0.000 0.240 502 N C -0.785 174.741 175.510 0.027 0.000 1.039 502 N CA -1.732 51.328 53.050 0.018 0.000 0.888 502 N CB 1.507 40.007 38.487 0.021 0.000 1.128 502 N HN 0.014 nan 8.380 nan 0.000 0.512 503 P HA -0.128 nan 4.420 nan 0.000 0.226 503 P C -0.028 177.266 177.300 -0.010 0.000 1.146 503 P CA 1.204 64.318 63.100 0.024 0.000 0.773 503 P CB 0.209 31.921 31.700 0.020 0.000 0.772 504 N N -0.160 118.536 118.700 -0.006 0.000 2.236 504 N HA -0.028 4.672 4.740 -0.067 0.000 0.196 504 N C 0.899 176.414 175.510 0.008 0.000 1.114 504 N CA 0.080 53.122 53.050 -0.014 0.000 0.859 504 N CB 0.030 38.506 38.487 -0.018 0.000 0.982 504 N HN 0.176 nan 8.380 nan 0.000 0.493 505 D N 0.556 120.969 120.400 0.022 0.000 2.312 505 D HA -0.041 4.559 4.640 -0.067 0.000 0.211 505 D C 1.327 177.651 176.300 0.040 0.000 0.964 505 D CA 0.774 54.792 54.000 0.029 0.000 0.877 505 D CB -0.468 40.351 40.800 0.031 0.000 0.924 505 D HN 0.122 nan 8.370 nan 0.000 0.515 506 G N 0.008 108.841 108.800 0.053 0.000 2.198 506 G HA2 -0.163 3.757 3.960 -0.067 0.000 0.260 506 G HA3 -0.163 3.757 3.960 -0.067 0.000 0.260 506 G C 0.498 175.452 174.900 0.090 0.000 1.025 506 G CA 0.347 45.492 45.100 0.075 0.000 0.769 506 G HN 0.852 nan 8.290 nan 0.000 0.507 507 A N -0.063 122.809 122.820 0.087 0.000 2.483 507 A HA 0.672 4.952 4.320 -0.067 0.000 0.238 507 A C 1.056 178.711 177.584 0.118 0.000 1.070 507 A CA 1.316 53.401 52.037 0.079 0.000 0.770 507 A CB 0.274 19.309 19.000 0.059 0.000 1.008 507 A HN 1.894 nan 8.150 nan 0.000 0.497 508 T N -0.477 114.129 114.554 0.088 0.000 2.949 508 T HA 0.839 5.149 4.350 -0.067 0.000 0.287 508 T C -0.292 174.411 174.700 0.004 0.000 1.034 508 T CA -0.700 61.470 62.100 0.117 0.000 1.018 508 T CB 1.373 70.298 68.868 0.095 0.000 1.135 508 T HN 1.250 nan 8.240 nan 0.000 0.532 509 R N -0.103 120.361 120.500 -0.060 0.000 2.728 509 R HA 0.529 4.829 4.340 -0.067 0.000 0.274 509 R C -2.121 173.942 176.300 -0.394 0.000 1.030 509 R CA -0.917 54.995 56.100 -0.312 0.000 0.876 509 R CB 0.720 30.675 30.300 -0.576 0.000 1.259 509 R HN 0.657 nan 8.270 nan 0.000 0.468 510 D N -0.050 120.143 120.400 -0.345 0.000 2.225 510 D HA 0.281 4.881 4.640 -0.067 0.000 0.248 510 D C -0.578 175.552 176.300 -0.283 0.000 1.096 510 D CA -0.554 53.350 54.000 -0.159 0.000 0.863 510 D CB 0.644 41.413 40.800 -0.052 0.000 1.156 510 D HN 0.465 nan 8.370 nan 0.000 0.450 511 W N 3.580 124.979 121.300 0.166 0.000 3.223 511 W HA 0.395 5.016 4.660 -0.065 0.000 0.389 511 W C 1.131 177.781 176.519 0.219 0.000 1.118 511 W CA -0.153 57.304 57.345 0.187 0.000 1.902 511 W CB -0.021 29.596 29.460 0.261 0.000 1.094 511 W HN 0.738 nan 8.180 nan 0.000 0.666 512 G N 1.851 110.835 108.800 0.306 0.000 2.907 512 G HA2 -0.359 3.561 3.960 -0.067 0.000 0.242 512 G HA3 -0.359 3.561 3.960 -0.067 0.000 0.242 512 G C 0.612 175.721 174.900 0.347 0.000 1.448 512 G CA 0.065 45.338 45.100 0.288 0.000 0.911 512 G HN 0.387 nan 8.290 nan 0.000 0.553 513 N N -0.743 118.173 118.700 0.360 0.000 2.708 513 N HA -0.217 4.483 4.740 -0.067 0.000 0.251 513 N C 1.661 177.358 175.510 0.311 0.000 1.123 513 N CA 2.922 56.234 53.050 0.437 0.000 0.739 513 N CB -1.286 37.524 38.487 0.537 0.000 1.113 513 N HN 2.621 nan 8.380 nan 0.000 0.561 514 G N -1.689 107.251 108.800 0.234 0.000 2.157 514 G HA2 -0.245 3.675 3.960 -0.067 0.000 0.248 514 G HA3 -0.245 3.675 3.960 -0.067 0.000 0.248 514 G C 0.982 175.999 174.900 0.195 0.000 0.979 514 G CA 0.966 46.170 45.100 0.174 0.000 0.650 514 G HN 0.916 nan 8.290 nan 0.000 0.529 515 A N -0.293 122.688 122.820 0.269 0.000 2.014 515 A HA 0.551 4.831 4.320 -0.067 0.000 0.218 515 A C 2.573 180.360 177.584 0.339 0.000 1.163 515 A CA 2.177 54.410 52.037 0.327 0.000 0.652 515 A CB -0.491 18.767 19.000 0.430 0.000 0.808 515 A HN 2.680 nan 8.150 nan 0.000 0.449 516 G N -1.991 106.965 108.800 0.261 0.000 2.632 516 G HA2 -0.083 3.836 3.960 -0.067 0.000 0.224 516 G HA3 -0.083 3.836 3.960 -0.067 0.000 0.224 516 G C -0.230 174.769 174.900 0.164 0.000 1.341 516 G CA -0.378 44.800 45.100 0.130 0.000 0.880 516 G HN 0.927 nan 8.290 nan 0.000 0.566 517 V N 2.574 122.454 119.914 -0.057 0.000 2.546 517 V HA 0.644 4.724 4.120 -0.067 0.000 0.284 517 V C 0.337 176.280 176.094 -0.252 0.000 1.050 517 V CA 0.008 62.290 62.300 -0.030 0.000 0.981 517 V CB 1.241 33.030 31.823 -0.058 0.000 0.990 517 V HN 0.829 nan 8.190 nan 0.000 0.474 518 H N 3.941 123.213 119.070 0.336 0.000 3.079 518 H HA 0.337 4.853 4.556 -0.066 0.000 0.356 518 H C -2.807 172.778 175.328 0.428 0.000 1.221 518 H CA -1.337 54.869 56.048 0.264 0.000 1.185 518 H CB 2.735 32.549 29.762 0.087 0.000 1.882 518 H HN 0.370 nan 8.280 nan 0.000 0.543 519 P HA 0.071 nan 4.420 nan 0.000 0.275 519 P C 0.374 177.918 177.300 0.407 0.000 1.227 519 P CA -0.096 63.200 63.100 0.328 0.000 0.781 519 P CB 1.461 33.283 31.700 0.204 0.000 0.906 520 E N 1.497 121.962 120.200 0.440 0.000 2.209 520 E HA -0.225 4.085 4.350 -0.067 0.000 0.196 520 E C 1.420 178.174 176.600 0.257 0.000 0.993 520 E CA 0.881 57.564 56.400 0.471 0.000 0.819 520 E CB -0.366 29.571 29.700 0.395 0.000 0.745 520 E HN 0.429 nan 8.360 nan 0.000 0.477 521 N N 0.682 119.504 118.700 0.202 0.000 2.289 521 N HA -0.098 4.602 4.740 -0.067 0.000 0.184 521 N C 1.345 176.975 175.510 0.199 0.000 1.016 521 N CA 1.183 54.320 53.050 0.144 0.000 0.872 521 N CB -0.013 38.537 38.487 0.104 0.000 0.973 521 N HN 0.198 nan 8.380 nan 0.000 0.433 522 A N -0.677 122.257 122.820 0.190 0.000 2.238 522 A HA 0.215 4.495 4.320 -0.067 0.000 0.210 522 A C 0.363 177.967 177.584 0.034 0.000 1.179 522 A CA -0.078 52.062 52.037 0.171 0.000 0.827 522 A CB 0.428 19.587 19.000 0.264 0.000 0.856 522 A HN -0.012 nan 8.150 nan 0.000 0.488 523 V N 2.761 122.640 119.914 -0.058 0.000 2.350 523 V HA 0.305 4.385 4.120 -0.067 0.000 0.276 523 V C -0.305 175.729 176.094 -0.101 0.000 1.028 523 V CA -0.498 61.642 62.300 -0.266 0.000 0.860 523 V CB 1.103 32.457 31.823 -0.781 0.000 0.990 523 V HN 0.265 nan 8.190 nan 0.000 0.453 524 L N 4.209 125.362 121.223 -0.116 0.000 2.343 524 L HA 0.693 4.993 4.340 -0.067 0.000 0.275 524 L C -0.252 176.660 176.870 0.070 0.000 1.056 524 L CA 0.126 54.950 54.840 -0.026 0.000 0.804 524 L CB 1.686 43.658 42.059 -0.146 0.000 1.203 524 L HN 0.699 nan 8.230 nan 0.000 0.440 525 D N 0.620 121.126 120.400 0.177 0.000 2.931 525 D HA 0.173 4.773 4.640 -0.067 0.000 0.215 525 D C 0.595 177.011 176.300 0.193 0.000 1.297 525 D CA -0.367 53.754 54.000 0.203 0.000 0.892 525 D CB 2.391 43.322 40.800 0.219 0.000 1.642 525 D HN 0.671 nan 8.370 nan 0.000 0.560 526 G N 1.722 110.531 108.800 0.015 0.000 2.708 526 G HA2 -0.058 3.862 3.960 -0.067 0.000 0.210 526 G HA3 -0.058 3.862 3.960 -0.067 0.000 0.210 526 G C 1.280 175.849 174.900 -0.551 0.000 1.141 526 G CA 0.703 45.579 45.100 -0.373 0.000 0.788 526 G HN 0.528 nan 8.290 nan 0.000 0.531 527 G N 1.219 109.878 108.800 -0.234 0.000 2.527 527 G HA2 -0.191 3.729 3.960 -0.067 0.000 0.219 527 G HA3 -0.191 3.729 3.960 -0.067 0.000 0.219 527 G C 1.442 176.080 174.900 -0.436 0.000 1.117 527 G CA 0.911 45.838 45.100 -0.289 0.000 0.759 527 G HN 0.636 nan 8.290 nan 0.000 0.556 528 F N -0.117 119.653 119.950 -0.301 0.000 2.365 528 F HA 0.212 4.699 4.527 -0.067 0.000 0.300 528 F C 2.000 177.607 175.800 -0.323 0.000 1.090 528 F CA 0.182 57.901 58.000 -0.469 0.000 1.408 528 F CB -0.386 38.490 39.000 -0.206 0.000 1.060 528 F HN 0.029 nan 8.300 nan 0.000 0.534 529 L N 0.659 121.365 121.223 -0.863 0.000 2.353 529 L HA -0.134 4.166 4.340 -0.067 0.000 0.220 529 L C 2.302 179.058 176.870 -0.190 0.000 1.133 529 L CA 0.887 55.434 54.840 -0.489 0.000 0.798 529 L CB -0.703 40.972 42.059 -0.640 0.000 0.922 529 L HN 0.217 nan 8.230 nan 0.000 0.445 530 E N -0.023 120.003 120.200 -0.289 0.000 2.265 530 E HA -0.181 4.129 4.350 -0.067 0.000 0.196 530 E C 2.119 178.693 176.600 -0.044 0.000 0.996 530 E CA 1.059 57.352 56.400 -0.178 0.000 0.832 530 E CB -0.163 29.377 29.700 -0.268 0.000 0.756 530 E HN 0.539 nan 8.360 nan 0.000 0.491 531 F N 0.514 120.472 119.950 0.013 0.000 2.126 531 F HA -0.220 4.267 4.527 -0.067 0.000 0.299 531 F C 2.554 178.411 175.800 0.096 0.000 1.096 531 F CA 1.174 59.202 58.000 0.046 0.000 1.255 531 F CB -0.195 38.836 39.000 0.052 0.000 0.997 531 F HN -0.010 nan 8.300 nan 0.000 0.479 532 V N -1.204 118.907 119.914 0.328 0.000 2.878 532 V HA -0.043 4.037 4.120 -0.067 0.000 0.250 532 V C 2.155 178.355 176.094 0.177 0.000 1.075 532 V CA 1.078 63.531 62.300 0.256 0.000 1.096 532 V CB -0.508 31.495 31.823 0.300 0.000 0.724 532 V HN 0.265 nan 8.190 nan 0.000 0.467 533 R N 0.015 120.603 120.500 0.148 0.000 2.096 533 R HA 0.074 4.374 4.340 -0.067 0.000 0.235 533 R C 1.792 178.164 176.300 0.120 0.000 1.127 533 R CA 1.797 57.959 56.100 0.104 0.000 0.968 533 R CB -0.184 30.156 30.300 0.066 0.000 0.861 533 R HN 0.581 nan 8.270 nan 0.000 0.440 534 L N -0.375 120.935 121.223 0.145 0.000 2.700 534 L HA 0.249 4.549 4.340 -0.067 0.000 0.234 534 L C 0.890 177.867 176.870 0.178 0.000 1.156 534 L CA 0.330 55.267 54.840 0.160 0.000 0.946 534 L CB 0.775 42.928 42.059 0.156 0.000 1.216 534 L HN 0.482 nan 8.230 nan 0.000 0.493 535 G N -0.138 108.768 108.800 0.176 0.000 2.155 535 G HA2 -0.282 3.638 3.960 -0.067 0.000 0.257 535 G HA3 -0.282 3.638 3.960 -0.067 0.000 0.257 535 G C 0.738 175.796 174.900 0.263 0.000 0.983 535 G CA 0.525 45.739 45.100 0.190 0.000 0.676 535 G HN 0.188 nan 8.290 nan 0.000 0.528 536 V N -0.642 119.417 119.914 0.242 0.000 2.871 536 V HA 0.162 4.242 4.120 -0.067 0.000 0.256 536 V C 1.305 177.447 176.094 0.080 0.000 1.082 536 V CA 1.850 64.241 62.300 0.151 0.000 1.105 536 V CB -0.103 31.811 31.823 0.152 0.000 0.713 536 V HN 0.381 nan 8.190 nan 0.000 0.473 537 K N -0.587 119.905 120.400 0.153 0.000 2.477 537 K HA 0.679 4.959 4.320 -0.067 0.000 0.255 537 K C -0.456 176.239 176.600 0.158 0.000 0.952 537 K CA -0.364 55.998 56.287 0.124 0.000 0.826 537 K CB 2.168 34.739 32.500 0.119 0.000 1.331 537 K HN 0.067 nan 8.250 nan 0.000 0.437 538 A N 2.131 125.030 122.820 0.132 0.000 2.483 538 A HA 0.262 4.542 4.320 -0.067 0.000 0.238 538 A C -1.534 176.123 177.584 0.122 0.000 1.070 538 A CA -0.619 51.484 52.037 0.110 0.000 0.770 538 A CB -0.235 18.815 19.000 0.083 0.000 1.008 538 A HN 0.378 nan 8.150 nan 0.000 0.497 539 P HA -0.137 nan 4.420 nan 0.000 0.217 539 P C 0.889 178.215 177.300 0.042 0.000 1.148 539 P CA 2.131 65.247 63.100 0.028 0.000 0.828 539 P CB 0.211 31.881 31.700 -0.051 0.000 0.783 540 A N -0.861 121.994 122.820 0.057 0.000 2.462 540 A HA 0.100 4.380 4.320 -0.067 0.000 0.261 540 A C 0.222 177.875 177.584 0.115 0.000 1.323 540 A CA -0.270 51.813 52.037 0.076 0.000 0.913 540 A CB -1.380 17.642 19.000 0.037 0.000 1.028 540 A HN 0.096 nan 8.150 nan 0.000 0.511 541 D N 1.238 121.736 120.400 0.164 0.000 2.531 541 D HA 0.031 4.631 4.640 -0.067 0.000 0.239 541 D C -0.706 175.676 176.300 0.137 0.000 1.144 541 D CA -0.728 53.370 54.000 0.162 0.000 0.869 541 D CB 1.109 42.045 40.800 0.227 0.000 1.160 541 D HN 0.178 nan 8.370 nan 0.000 0.484 542 P HA -0.195 nan 4.420 nan 0.000 0.218 542 P C 0.808 177.980 177.300 -0.213 0.000 1.149 542 P CA 1.256 64.283 63.100 -0.122 0.000 0.817 542 P CB 0.004 31.547 31.700 -0.262 0.000 0.785 543 Y N 0.239 120.449 120.300 -0.149 0.000 2.200 543 Y HA -0.130 4.380 4.550 -0.067 0.000 0.290 543 Y C 2.696 178.611 175.900 0.024 0.000 1.137 543 Y CA 0.984 58.867 58.100 -0.362 0.000 1.163 543 Y CB -1.454 36.624 38.460 -0.637 0.000 0.988 543 Y HN -0.269 nan 8.280 nan 0.000 0.518 544 V N -0.386 119.763 119.914 0.393 0.000 2.490 544 V HA -0.303 3.777 4.120 -0.067 0.000 0.250 544 V C 2.396 178.668 176.094 0.298 0.000 1.061 544 V CA 1.561 64.144 62.300 0.472 0.000 1.064 544 V CB -1.242 30.933 31.823 0.586 0.000 0.670 544 V HN 0.465 nan 8.190 nan 0.000 0.461 545 A N -0.313 122.653 122.820 0.244 0.000 1.897 545 A HA -0.235 4.045 4.320 -0.067 0.000 0.215 545 A C 2.144 179.817 177.584 0.148 0.000 1.181 545 A CA 1.707 53.869 52.037 0.209 0.000 0.620 545 A CB -0.528 18.570 19.000 0.164 0.000 0.821 545 A HN 0.507 nan 8.150 nan 0.000 0.443 546 D N -0.308 120.165 120.400 0.122 0.000 2.348 546 D HA -0.022 4.578 4.640 -0.067 0.000 0.216 546 D C 1.690 178.075 176.300 0.142 0.000 0.970 546 D CA 1.073 55.157 54.000 0.139 0.000 0.889 546 D CB 0.071 40.985 40.800 0.189 0.000 0.912 546 D HN 0.339 nan 8.370 nan 0.000 0.524 547 S N -0.158 115.591 115.700 0.082 0.000 2.436 547 S HA -0.048 4.382 4.470 -0.067 0.000 0.228 547 S C 1.830 176.446 174.600 0.026 0.000 1.014 547 S CA -0.042 58.104 58.200 -0.089 0.000 0.950 547 S CB 0.168 62.913 63.200 -0.759 0.000 0.784 547 S HN 0.183 nan 8.310 nan 0.000 0.504 548 L N 2.201 123.510 121.223 0.143 0.000 1.971 548 L HA -0.165 4.135 4.340 -0.067 0.000 0.215 548 L C 2.677 179.645 176.870 0.164 0.000 1.072 548 L CA 2.019 56.988 54.840 0.216 0.000 0.758 548 L CB -1.629 40.552 42.059 0.203 0.000 0.889 548 L HN 0.296 nan 8.230 nan 0.000 0.433 549 A N -0.683 122.207 122.820 0.117 0.000 1.849 549 A HA -0.270 4.010 4.320 -0.067 0.000 0.217 549 A C 2.232 179.832 177.584 0.026 0.000 1.202 549 A CA 2.105 54.190 52.037 0.080 0.000 0.629 549 A CB -0.760 18.281 19.000 0.069 0.000 0.834 549 A HN 0.437 nan 8.150 nan 0.000 0.447 550 E N -0.617 119.561 120.200 -0.036 0.000 2.077 550 E HA -0.086 4.224 4.350 -0.067 0.000 0.193 550 E C 2.155 178.632 176.600 -0.205 0.000 0.989 550 E CA 1.712 57.995 56.400 -0.195 0.000 0.800 550 E CB -0.726 28.694 29.700 -0.468 0.000 0.746 550 E HN 0.617 nan 8.360 nan 0.000 0.452 551 T N 1.132 115.626 114.554 -0.099 0.000 2.746 551 T HA -0.135 4.175 4.350 -0.067 0.000 0.267 551 T C 1.146 175.927 174.700 0.135 0.000 1.039 551 T CA 1.496 63.619 62.100 0.037 0.000 1.142 551 T CB -0.328 68.697 68.868 0.262 0.000 0.866 551 T HN 0.115 nan 8.240 nan 0.000 0.444 552 D N 1.170 121.685 120.400 0.192 0.000 2.144 552 D HA 0.023 4.623 4.640 -0.067 0.000 0.200 552 D C 2.318 178.639 176.300 0.035 0.000 0.978 552 D CA 1.096 55.223 54.000 0.211 0.000 0.833 552 D CB -0.352 40.589 40.800 0.235 0.000 0.961 552 D HN 0.407 nan 8.370 nan 0.000 0.470 553 A N 0.281 123.100 122.820 -0.001 0.000 1.930 553 A HA -0.118 4.162 4.320 -0.067 0.000 0.217 553 A C 2.343 179.880 177.584 -0.079 0.000 1.175 553 A CA 1.790 53.799 52.037 -0.046 0.000 0.627 553 A CB -0.476 18.494 19.000 -0.049 0.000 0.815 553 A HN 0.206 nan 8.150 nan 0.000 0.443 554 S N -0.639 115.000 115.700 -0.102 0.000 2.395 554 S HA -0.028 4.402 4.470 -0.067 0.000 0.225 554 S C 1.254 175.770 174.600 -0.141 0.000 1.027 554 S CA 1.445 59.551 58.200 -0.156 0.000 0.965 554 S CB -0.249 62.817 63.200 -0.223 0.000 0.812 554 S HN 0.835 nan 8.310 nan 0.000 0.482 555 I N -0.066 120.481 120.570 -0.039 0.000 4.160 555 I HA 0.463 4.593 4.170 -0.067 0.000 0.325 555 I C 0.038 176.221 176.117 0.109 0.000 1.455 555 I CA -0.643 60.684 61.300 0.046 0.000 1.142 555 I CB 0.477 38.504 38.000 0.045 0.000 1.262 555 I HN 0.158 nan 8.210 nan 0.000 0.483 556 S N 1.092 116.740 115.700 -0.088 0.000 2.648 556 S HA 0.937 5.367 4.470 -0.067 0.000 0.305 556 S C -0.594 173.784 174.600 -0.370 0.000 1.094 556 S CA -0.275 57.648 58.200 -0.463 0.000 0.983 556 S CB 1.982 64.627 63.200 -0.925 0.000 1.101 556 S HN 0.548 nan 8.310 nan 0.000 0.514 557 Q N -0.049 119.461 119.800 -0.483 0.000 2.575 557 Q HA 0.538 4.838 4.340 -0.067 0.000 0.290 557 Q C -1.842 173.955 176.000 -0.339 0.000 0.963 557 Q CA -0.903 54.707 55.803 -0.321 0.000 0.783 557 Q CB 1.026 29.634 28.738 -0.217 0.000 1.467 557 Q HN 0.567 nan 8.270 nan 0.000 0.402 558 E N 1.665 121.727 120.200 -0.229 0.000 2.081 558 E HA 0.295 4.605 4.350 -0.067 0.000 0.281 558 E C -0.948 175.565 176.600 -0.146 0.000 0.986 558 E CA -0.022 56.264 56.400 -0.190 0.000 0.796 558 E CB 1.175 30.792 29.700 -0.138 0.000 1.085 558 E HN 0.628 nan 8.360 nan 0.000 0.398 559 T N 1.577 116.045 114.554 -0.142 0.000 2.912 559 T HA 0.430 4.740 4.350 -0.067 0.000 0.280 559 T C -1.564 173.093 174.700 -0.072 0.000 0.989 559 T CA -1.664 60.377 62.100 -0.099 0.000 0.995 559 T CB 1.328 70.138 68.868 -0.098 0.000 1.077 559 T HN 0.274 nan 8.240 nan 0.000 0.531 560 P HA 0.047 nan 4.420 nan 0.000 0.225 560 P C 1.331 178.610 177.300 -0.036 0.000 1.148 560 P CA 0.947 64.025 63.100 -0.037 0.000 0.779 560 P CB -0.399 31.286 31.700 -0.024 0.000 0.780 561 G N -1.272 107.504 108.800 -0.040 0.000 2.939 561 G HA2 0.436 4.356 3.960 -0.067 0.000 0.210 561 G HA3 0.436 4.356 3.960 -0.067 0.000 0.210 561 G C 0.606 175.487 174.900 -0.031 0.000 1.160 561 G CA 0.490 45.574 45.100 -0.028 0.000 0.770 561 G HN 0.648 nan 8.290 nan 0.000 0.543 562 G N -0.763 108.001 108.800 -0.060 0.000 2.361 562 G HA2 0.141 4.060 3.960 -0.067 0.000 0.331 562 G HA3 0.141 4.060 3.960 -0.067 0.000 0.331 562 G C -0.855 173.968 174.900 -0.129 0.000 1.324 562 G CA -0.830 44.220 45.100 -0.083 0.000 0.984 562 G HN 0.392 nan 8.290 nan 0.000 0.586 563 R N -0.252 120.142 120.500 -0.177 0.000 2.537 563 R HA 0.616 4.916 4.340 -0.067 0.000 0.280 563 R C 0.396 176.428 176.300 -0.447 0.000 1.058 563 R CA 0.335 56.209 56.100 -0.377 0.000 1.057 563 R CB 0.188 30.213 30.300 -0.458 0.000 0.973 563 R HN 0.524 nan 8.270 nan 0.000 0.438 564 M N 3.096 122.331 119.600 -0.608 0.000 2.619 564 M HA 0.455 4.895 4.480 -0.067 0.000 0.297 564 M C -1.125 174.833 176.300 -0.570 0.000 1.229 564 M CA -0.687 54.410 55.300 -0.339 0.000 0.860 564 M CB 2.273 34.771 32.600 -0.171 0.000 1.741 564 M HN 0.481 nan 8.290 nan 0.000 0.462 565 W N 0.281 121.503 121.300 -0.129 0.000 2.844 565 W HA 0.462 5.081 4.660 -0.067 0.000 0.340 565 W C -0.284 176.100 176.519 -0.225 0.000 1.093 565 W CA -0.605 56.648 57.345 -0.153 0.000 1.212 565 W CB 1.324 30.739 29.460 -0.073 0.000 1.422 565 W HN 0.533 nan 8.180 nan 0.000 0.515 566 H N 0.858 119.960 119.070 0.053 0.000 2.509 566 H HA 0.246 4.762 4.556 -0.067 0.000 0.359 566 H C 1.164 176.366 175.328 -0.208 0.000 1.253 566 H CA 0.146 56.129 56.048 -0.108 0.000 1.373 566 H CB 1.521 31.164 29.762 -0.198 0.000 1.555 566 H HN 0.248 nan 8.280 nan 0.000 0.586 567 R N 0.215 120.475 120.500 -0.401 0.000 2.066 567 R HA -0.052 4.248 4.340 -0.067 0.000 0.232 567 R C -0.079 176.157 176.300 -0.108 0.000 1.131 567 R CA 1.506 57.276 56.100 -0.550 0.000 0.955 567 R CB 0.059 29.541 30.300 -1.363 0.000 0.851 567 R HN 0.571 nan 8.270 nan 0.000 0.432 568 Y N -4.064 116.104 120.300 -0.220 0.000 2.677 568 Y HA 0.344 4.854 4.550 -0.067 0.000 0.334 568 Y C -1.014 174.717 175.900 -0.282 0.000 1.196 568 Y CA -1.673 56.321 58.100 -0.176 0.000 1.059 568 Y CB 0.584 38.970 38.460 -0.122 0.000 1.315 568 Y HN -0.251 nan 8.280 nan 0.000 0.455 569 T N 2.462 116.885 114.554 -0.219 0.000 2.934 569 T HA 0.033 4.343 4.350 -0.067 0.000 0.306 569 T C -0.439 173.918 174.700 -0.570 0.000 1.042 569 T CA 1.496 63.233 62.100 -0.605 0.000 1.145 569 T CB -0.562 67.803 68.868 -0.839 0.000 0.982 569 T HN 0.863 nan 8.240 nan 0.000 0.544 570 Y N -1.589 118.509 120.300 -0.337 0.000 4.916 570 Y HA -0.261 4.249 4.550 -0.066 0.000 0.247 570 Y C 0.913 176.691 175.900 -0.204 0.000 0.962 570 Y CA 0.494 58.422 58.100 -0.288 0.000 1.933 570 Y CB -1.849 36.349 38.460 -0.436 0.000 1.451 570 Y HN 0.712 nan 8.280 nan 0.000 0.539 571 D N 1.526 121.722 120.400 -0.339 0.000 2.583 571 D HA 0.193 4.793 4.640 -0.067 0.000 0.232 571 D C 1.095 177.303 176.300 -0.154 0.000 1.128 571 D CA 1.492 55.175 54.000 -0.527 0.000 0.859 571 D CB 1.022 41.005 40.800 -1.361 0.000 1.169 571 D HN 0.398 nan 8.370 nan 0.000 0.481 572 G N 3.091 111.934 108.800 0.072 0.000 3.774 572 G HA2 -0.024 3.896 3.960 -0.067 0.000 0.287 572 G HA3 -0.024 3.896 3.960 -0.067 0.000 0.287 572 G C -0.080 174.971 174.900 0.252 0.000 1.030 572 G CA -0.462 44.736 45.100 0.164 0.000 0.824 572 G HN 0.590 nan 8.290 nan 0.000 0.518 573 Y N 1.618 121.922 120.300 0.006 0.000 2.636 573 Y HA 0.487 4.997 4.550 -0.067 0.000 0.334 573 Y C 0.665 176.546 175.900 -0.031 0.000 1.286 573 Y CA 0.146 58.139 58.100 -0.177 0.000 1.688 573 Y CB -0.174 38.185 38.460 -0.169 0.000 1.662 573 Y HN 0.196 nan 8.280 nan 0.000 0.465 574 G N 2.514 111.230 108.800 -0.140 0.000 2.428 574 G HA2 0.196 4.116 3.960 -0.067 0.000 0.304 574 G HA3 0.196 4.116 3.960 -0.067 0.000 0.304 574 G C -1.503 173.475 174.900 0.131 0.000 1.303 574 G CA -1.138 43.999 45.100 0.061 0.000 0.825 574 G HN 0.201 nan 8.290 nan 0.000 0.484 575 E N 0.828 121.162 120.200 0.223 0.000 2.436 575 E HA 0.307 4.617 4.350 -0.067 0.000 0.262 575 E C 0.553 177.249 176.600 0.159 0.000 1.063 575 E CA 0.366 56.877 56.400 0.185 0.000 0.944 575 E CB 0.493 30.404 29.700 0.351 0.000 0.950 575 E HN 0.399 nan 8.360 nan 0.000 0.444 576 K N 0.760 121.215 120.400 0.091 0.000 2.120 576 K HA 0.318 4.598 4.320 -0.067 0.000 0.245 576 K C 1.146 177.847 176.600 0.168 0.000 1.024 576 K CA 0.039 56.379 56.287 0.088 0.000 0.906 576 K CB 0.535 33.048 32.500 0.022 0.000 1.051 576 K HN 0.540 nan 8.250 nan 0.000 0.491 577 A N 1.511 124.414 122.820 0.139 0.000 1.986 577 A HA -0.205 4.075 4.320 -0.067 0.000 0.220 577 A C 1.374 179.089 177.584 0.217 0.000 1.171 577 A CA 2.257 54.399 52.037 0.174 0.000 0.640 577 A CB -0.664 18.403 19.000 0.111 0.000 0.811 577 A HN 0.873 nan 8.150 nan 0.000 0.451 578 D N -2.486 118.009 120.400 0.159 0.000 2.349 578 D HA 0.269 4.869 4.640 -0.067 0.000 0.224 578 D C 1.204 177.599 176.300 0.159 0.000 1.029 578 D CA 1.027 55.120 54.000 0.155 0.000 0.879 578 D CB -0.540 40.339 40.800 0.131 0.000 0.906 578 D HN 0.827 nan 8.370 nan 0.000 0.528 579 G N -0.144 108.738 108.800 0.136 0.000 2.195 579 G HA2 -0.280 3.640 3.960 -0.067 0.000 0.246 579 G HA3 -0.280 3.640 3.960 -0.067 0.000 0.246 579 G C 0.360 174.981 174.900 -0.465 0.000 0.984 579 G CA 0.318 45.385 45.100 -0.055 0.000 0.633 579 G HN 0.688 nan 8.290 nan 0.000 0.525 580 S N 2.450 117.944 115.700 -0.343 0.000 2.572 580 S HA 0.516 4.946 4.470 -0.067 0.000 0.279 580 S C -1.155 173.282 174.600 -0.272 0.000 1.341 580 S CA -0.157 57.798 58.200 -0.408 0.000 1.043 580 S CB 0.986 64.134 63.200 -0.085 0.000 0.887 580 S HN 0.371 nan 8.310 nan 0.000 0.516 581 P HA 0.006 nan 4.420 nan 0.000 0.270 581 P C -0.638 176.304 177.300 -0.597 0.000 1.227 581 P CA -0.325 62.524 63.100 -0.419 0.000 0.788 581 P CB 0.257 31.793 31.700 -0.273 0.000 0.926 582 W N 2.557 122.994 121.300 -1.439 0.000 2.190 582 W HA 0.167 4.787 4.660 -0.067 0.000 0.330 582 W C 0.176 176.265 176.519 -0.717 0.000 1.299 582 W CA 0.528 57.215 57.345 -1.097 0.000 1.215 582 W CB 0.266 28.739 29.460 -1.646 0.000 1.147 582 W HN 0.378 nan 8.180 nan 0.000 0.563 583 D N 3.011 122.722 120.400 -1.149 0.000 2.785 583 D HA 0.265 4.865 4.640 -0.067 0.000 0.324 583 D C 0.908 176.529 176.300 -1.131 0.000 1.523 583 D CA 0.123 53.564 54.000 -0.932 0.000 0.789 583 D CB 0.223 40.741 40.800 -0.469 0.000 1.171 583 D HN 0.718 nan 8.370 nan 0.000 0.447 584 G N -0.098 107.440 108.800 -2.104 0.000 2.481 584 G HA2 -0.083 3.837 3.960 -0.067 0.000 0.200 584 G HA3 -0.083 3.837 3.960 -0.067 0.000 0.200 584 G C 0.278 174.924 174.900 -0.424 0.000 1.012 584 G CA 0.188 44.659 45.100 -1.048 0.000 0.676 584 G HN 1.030 nan 8.290 nan 0.000 0.488 585 T N -2.065 112.185 114.554 -0.506 0.000 2.883 585 T HA 0.927 5.237 4.350 -0.067 0.000 0.301 585 T C 0.135 174.856 174.700 0.036 0.000 1.158 585 T CA 0.424 62.525 62.100 0.002 0.000 1.007 585 T CB 2.296 71.165 68.868 0.003 0.000 1.186 585 T HN 2.088 nan 8.240 nan 0.000 0.499 586 G N 0.456 109.397 108.800 0.234 0.000 2.399 586 G HA2 0.468 4.388 3.960 -0.067 0.000 0.256 586 G HA3 0.468 4.388 3.960 -0.067 0.000 0.256 586 G C -1.898 173.107 174.900 0.176 0.000 1.236 586 G CA -0.279 44.937 45.100 0.193 0.000 0.914 586 G HN 1.567 nan 8.290 nan 0.000 0.482 587 I N 0.278 120.924 120.570 0.126 0.000 2.468 587 I HA 0.714 4.844 4.170 -0.067 0.000 0.285 587 I C 0.451 176.584 176.117 0.027 0.000 1.039 587 I CA -0.629 60.702 61.300 0.052 0.000 1.074 587 I CB 1.480 39.477 38.000 -0.005 0.000 1.228 587 I HN 0.975 nan 8.210 nan 0.000 0.436 588 G N 6.489 115.287 108.800 -0.003 0.000 2.414 588 G HA2 0.282 4.202 3.960 -0.067 0.000 0.236 588 G HA3 0.282 4.202 3.960 -0.067 0.000 0.236 588 G C -0.086 174.854 174.900 0.067 0.000 1.293 588 G CA -0.422 44.694 45.100 0.027 0.000 0.869 588 G HN 0.699 nan 8.290 nan 0.000 0.556 589 R N 0.352 120.948 120.500 0.161 0.000 3.067 589 R HA 0.439 4.739 4.340 -0.067 0.000 0.222 589 R C -0.372 176.029 176.300 0.168 0.000 1.551 589 R CA -1.245 54.940 56.100 0.142 0.000 1.034 589 R CB -0.280 30.009 30.300 -0.018 0.000 1.889 589 R HN 0.303 nan 8.270 nan 0.000 0.526 590 L N 1.271 122.425 121.223 -0.115 0.000 2.360 590 L HA 0.150 4.450 4.340 -0.067 0.000 0.276 590 L C -0.494 176.378 176.870 0.004 0.000 1.121 590 L CA 0.033 54.763 54.840 -0.183 0.000 0.845 590 L CB -0.163 41.726 42.059 -0.283 0.000 1.143 590 L HN 0.374 nan 8.230 nan 0.000 0.452 591 W N 6.215 127.393 121.300 -0.204 0.000 2.282 591 W HA 0.407 5.027 4.660 -0.067 0.000 0.322 591 W C -1.115 175.331 176.519 -0.122 0.000 1.011 591 W CA -1.891 55.342 57.345 -0.187 0.000 1.392 591 W CB 0.572 29.881 29.460 -0.251 0.000 1.215 591 W HN 0.471 nan 8.180 nan 0.000 0.394 592 P HA -0.281 nan 4.420 nan 0.000 0.217 592 P C 1.482 178.827 177.300 0.076 0.000 1.148 592 P CA 1.655 64.786 63.100 0.052 0.000 0.834 592 P CB 0.190 31.887 31.700 -0.005 0.000 0.783 593 L N -2.821 118.408 121.223 0.009 0.000 2.187 593 L HA -0.105 4.195 4.340 -0.067 0.000 0.213 593 L C 2.383 179.247 176.870 -0.010 0.000 1.100 593 L CA 1.746 56.559 54.840 -0.044 0.000 0.765 593 L CB -2.078 39.818 42.059 -0.273 0.000 0.904 593 L HN -0.172 nan 8.230 nan 0.000 0.437 594 L N -0.534 120.712 121.223 0.038 0.000 2.275 594 L HA -0.088 4.212 4.340 -0.067 0.000 0.215 594 L C 2.468 179.334 176.870 -0.007 0.000 1.119 594 L CA 0.896 55.737 54.840 0.002 0.000 0.790 594 L CB -0.575 41.523 42.059 0.065 0.000 0.919 594 L HN 0.344 nan 8.230 nan 0.000 0.443 595 S N -0.010 115.803 115.700 0.189 0.000 2.387 595 S HA -0.069 4.361 4.470 -0.067 0.000 0.226 595 S C 2.061 176.759 174.600 0.162 0.000 1.026 595 S CA 1.092 59.496 58.200 0.340 0.000 0.972 595 S CB -0.306 63.153 63.200 0.431 0.000 0.814 595 S HN 0.591 nan 8.310 nan 0.000 0.477 596 G N 1.356 110.213 108.800 0.094 0.000 2.422 596 G HA2 -0.170 3.750 3.960 -0.067 0.000 0.218 596 G HA3 -0.170 3.750 3.960 -0.067 0.000 0.218 596 G C 1.246 176.095 174.900 -0.085 0.000 1.146 596 G CA 0.504 45.619 45.100 0.026 0.000 0.769 596 G HN 0.487 nan 8.290 nan 0.000 0.547 597 E N -0.171 119.967 120.200 -0.104 0.000 2.110 597 E HA -0.129 4.181 4.350 -0.067 0.000 0.193 597 E C 2.634 179.070 176.600 -0.273 0.000 0.988 597 E CA 0.682 56.990 56.400 -0.153 0.000 0.804 597 E CB -0.030 29.578 29.700 -0.154 0.000 0.745 597 E HN 0.178 nan 8.360 nan 0.000 0.458 598 R N 0.636 120.885 120.500 -0.418 0.000 2.115 598 R HA -0.054 4.246 4.340 -0.067 0.000 0.230 598 R C 2.104 177.976 176.300 -0.714 0.000 1.111 598 R CA 1.458 57.222 56.100 -0.560 0.000 0.976 598 R CB -0.883 28.970 30.300 -0.744 0.000 0.870 598 R HN 0.202 nan 8.270 nan 0.000 0.445 599 G N 0.028 108.319 108.800 -0.848 0.000 2.422 599 G HA2 -0.223 3.697 3.960 -0.067 0.000 0.218 599 G HA3 -0.223 3.697 3.960 -0.067 0.000 0.218 599 G C 1.181 175.846 174.900 -0.392 0.000 1.146 599 G CA 0.596 45.135 45.100 -0.934 0.000 0.769 599 G HN 0.427 nan 8.290 nan 0.000 0.547 600 E N -0.839 119.224 120.200 -0.229 0.000 2.152 600 E HA -0.090 4.220 4.350 -0.067 0.000 0.192 600 E C 1.971 178.523 176.600 -0.080 0.000 0.983 600 E CA 0.549 56.881 56.400 -0.115 0.000 0.818 600 E CB -0.156 29.506 29.700 -0.063 0.000 0.758 600 E HN 0.642 nan 8.360 nan 0.000 0.467 601 Y N 1.125 121.303 120.300 -0.205 0.000 2.220 601 Y HA -0.140 4.370 4.550 -0.067 0.000 0.291 601 Y C 2.216 178.054 175.900 -0.104 0.000 1.129 601 Y CA 1.369 59.389 58.100 -0.133 0.000 1.161 601 Y CB -0.168 38.197 38.460 -0.158 0.000 0.997 601 Y HN -0.026 nan 8.280 nan 0.000 0.522 602 A N 0.493 123.213 122.820 -0.168 0.000 1.877 602 A HA -0.200 4.080 4.320 -0.067 0.000 0.216 602 A C 2.175 179.671 177.584 -0.148 0.000 1.186 602 A CA 1.758 53.705 52.037 -0.149 0.000 0.620 602 A CB -1.300 17.666 19.000 -0.057 0.000 0.822 602 A HN 0.576 nan 8.150 nan 0.000 0.443 603 L N -0.067 121.080 121.223 -0.126 0.000 2.012 603 L HA -0.133 4.167 4.340 -0.067 0.000 0.210 603 L C 2.665 179.477 176.870 -0.097 0.000 1.073 603 L CA 2.334 57.126 54.840 -0.080 0.000 0.748 603 L CB -0.654 41.365 42.059 -0.067 0.000 0.891 603 L HN 0.351 nan 8.230 nan 0.000 0.431 604 A N -0.947 121.795 122.820 -0.130 0.000 2.076 604 A HA -0.194 4.086 4.320 -0.067 0.000 0.220 604 A C 1.789 179.286 177.584 -0.145 0.000 1.160 604 A CA 1.818 53.784 52.037 -0.119 0.000 0.653 604 A CB -0.715 18.217 19.000 -0.115 0.000 0.801 604 A HN 0.673 nan 8.150 nan 0.000 0.455 605 N N -0.813 117.763 118.700 -0.207 0.000 2.279 605 N HA 0.195 4.895 4.740 -0.067 0.000 0.226 605 N C 0.957 176.414 175.510 -0.089 0.000 1.126 605 N CA 0.768 53.714 53.050 -0.174 0.000 0.846 605 N CB 0.460 38.783 38.487 -0.274 0.000 1.050 605 N HN 0.569 nan 8.380 nan 0.000 0.502 606 G N 1.204 109.964 108.800 -0.066 0.000 2.155 606 G HA2 -0.299 3.621 3.960 -0.067 0.000 0.257 606 G HA3 -0.299 3.621 3.960 -0.067 0.000 0.257 606 G C 0.080 174.973 174.900 -0.012 0.000 0.983 606 G CA 0.294 45.374 45.100 -0.032 0.000 0.676 606 G HN 0.415 nan 8.290 nan 0.000 0.528 607 Q N -0.269 119.527 119.800 -0.008 0.000 2.212 607 Q HA 0.461 4.761 4.340 -0.067 0.000 0.238 607 Q C -0.334 175.701 176.000 0.058 0.000 0.955 607 Q CA -0.790 55.035 55.803 0.036 0.000 0.906 607 Q CB 0.919 29.699 28.738 0.069 0.000 1.215 607 Q HN 0.205 nan 8.270 nan 0.000 0.478 608 D N 0.110 120.558 120.400 0.080 0.000 2.363 608 D HA 0.124 4.724 4.640 -0.067 0.000 0.263 608 D C -0.211 176.188 176.300 0.164 0.000 1.258 608 D CA 0.134 54.185 54.000 0.086 0.000 0.907 608 D CB 0.944 41.782 40.800 0.064 0.000 1.107 608 D HN 0.604 nan 8.370 nan 0.000 0.495 609 A N 4.861 127.770 122.820 0.149 0.000 2.275 609 A HA 0.030 4.310 4.320 -0.067 0.000 0.212 609 A C 1.962 179.689 177.584 0.238 0.000 1.201 609 A CA -0.188 52.005 52.037 0.259 0.000 0.843 609 A CB -0.172 18.884 19.000 0.093 0.000 0.873 609 A HN 0.614 nan 8.150 nan 0.000 0.492 610 L N 0.610 121.907 121.223 0.122 0.000 2.042 610 L HA -0.109 4.191 4.340 -0.067 0.000 0.210 610 L C -0.357 176.559 176.870 0.076 0.000 1.076 610 L CA 2.348 57.232 54.840 0.074 0.000 0.749 610 L CB -2.070 40.014 42.059 0.041 0.000 0.893 610 L HN 0.279 nan 8.230 nan 0.000 0.432 611 P HA -0.212 nan 4.420 nan 0.000 0.216 611 P C 1.485 178.740 177.300 -0.075 0.000 1.150 611 P CA 1.558 64.618 63.100 -0.067 0.000 0.837 611 P CB -0.173 31.417 31.700 -0.184 0.000 0.786 612 Y N -0.151 120.199 120.300 0.083 0.000 2.274 612 Y HA -0.098 4.412 4.550 -0.067 0.000 0.290 612 Y C 2.713 178.671 175.900 0.096 0.000 1.145 612 Y CA 0.815 58.977 58.100 0.103 0.000 1.203 612 Y CB -1.362 37.148 38.460 0.084 0.000 0.984 612 Y HN -0.178 nan 8.280 nan 0.000 0.533 613 L N -0.411 120.927 121.223 0.192 0.000 2.056 613 L HA -0.181 4.119 4.340 -0.067 0.000 0.207 613 L C 2.378 179.419 176.870 0.284 0.000 1.078 613 L CA 1.125 56.042 54.840 0.128 0.000 0.749 613 L CB -0.388 41.651 42.059 -0.034 0.000 0.901 613 L HN 0.203 nan 8.230 nan 0.000 0.433 614 E N -0.254 120.065 120.200 0.198 0.000 2.077 614 E HA -0.174 4.136 4.350 -0.067 0.000 0.193 614 E C 2.162 178.873 176.600 0.185 0.000 0.989 614 E CA 1.796 58.316 56.400 0.200 0.000 0.800 614 E CB -0.369 29.395 29.700 0.108 0.000 0.746 614 E HN 0.466 nan 8.360 nan 0.000 0.452 615 T N 1.541 116.179 114.554 0.139 0.000 2.708 615 T HA -0.107 4.203 4.350 -0.067 0.000 0.266 615 T C 2.045 176.832 174.700 0.145 0.000 1.037 615 T CA 1.223 63.389 62.100 0.110 0.000 1.146 615 T CB -0.158 68.774 68.868 0.107 0.000 0.865 615 T HN 0.128 nan 8.240 nan 0.000 0.435 616 M N 0.450 120.187 119.600 0.230 0.000 2.149 616 M HA -0.136 4.304 4.480 -0.067 0.000 0.261 616 M C 2.335 178.766 176.300 0.218 0.000 1.064 616 M CA 1.525 56.972 55.300 0.245 0.000 1.102 616 M CB -0.544 32.283 32.600 0.380 0.000 1.369 616 M HN 0.406 nan 8.290 nan 0.000 0.408 617 H N -0.144 119.036 119.070 0.184 0.000 2.502 617 H HA -0.042 4.474 4.556 -0.067 0.000 0.283 617 H C 2.017 177.365 175.328 0.033 0.000 1.015 617 H CA 1.529 57.627 56.048 0.083 0.000 1.298 617 H CB 0.333 30.178 29.762 0.138 0.000 1.411 617 H HN 0.398 nan 8.280 nan 0.000 0.556 618 S N 0.009 115.651 115.700 -0.096 0.000 2.474 618 S HA 0.016 4.446 4.470 -0.067 0.000 0.235 618 S C 2.081 176.579 174.600 -0.169 0.000 0.997 618 S CA 0.546 58.643 58.200 -0.173 0.000 0.949 618 S CB -0.128 63.037 63.200 -0.057 0.000 0.766 618 S HN 0.467 nan 8.310 nan 0.000 0.517 619 A N 0.885 123.632 122.820 -0.121 0.000 2.178 619 A HA 0.719 4.999 4.320 -0.067 0.000 0.211 619 A C 1.209 178.710 177.584 -0.139 0.000 1.157 619 A CA 0.322 52.293 52.037 -0.109 0.000 0.780 619 A CB -0.629 18.329 19.000 -0.070 0.000 0.828 619 A HN 0.766 nan 8.150 nan 0.000 0.476 620 A N 0.997 123.706 122.820 -0.186 0.000 2.332 620 A HA 0.500 4.780 4.320 -0.067 0.000 0.258 620 A C 0.411 177.866 177.584 -0.215 0.000 1.087 620 A CA -0.163 51.769 52.037 -0.175 0.000 0.802 620 A CB 0.048 18.972 19.000 -0.126 0.000 1.042 620 A HN 0.632 nan 8.150 nan 0.000 0.489 621 N N 0.072 118.666 118.700 -0.177 0.000 2.495 621 N HA 0.458 5.158 4.740 -0.067 0.000 0.294 621 N C 0.804 176.173 175.510 -0.235 0.000 1.276 621 N CA 0.045 52.992 53.050 -0.172 0.000 0.973 621 N CB 0.183 38.595 38.487 -0.125 0.000 1.143 621 N HN 0.558 nan 8.380 nan 0.000 0.589 622 A N -1.612 121.100 122.820 -0.180 0.000 2.125 622 A HA 0.086 4.366 4.320 -0.067 0.000 0.219 622 A C 1.658 179.153 177.584 -0.149 0.000 1.156 622 A CA 1.389 53.313 52.037 -0.188 0.000 0.671 622 A CB -1.410 17.547 19.000 -0.072 0.000 0.794 622 A HN 0.800 nan 8.150 nan 0.000 0.459 623 G N -3.665 105.103 108.800 -0.054 0.000 3.233 623 G HA2 0.320 4.240 3.960 -0.067 0.000 0.234 623 G HA3 0.320 4.240 3.960 -0.067 0.000 0.234 623 G C 0.298 175.402 174.900 0.339 0.000 1.137 623 G CA 0.260 45.491 45.100 0.218 0.000 0.763 623 G HN 0.444 nan 8.290 nan 0.000 0.549 624 Y N -1.695 118.645 120.300 0.067 0.000 4.569 624 Y HA -0.186 4.324 4.550 -0.067 0.000 0.237 624 Y C 0.919 176.803 175.900 -0.026 0.000 1.090 624 Y CA -0.011 58.111 58.100 0.038 0.000 2.052 624 Y CB -2.052 36.437 38.460 0.049 0.000 1.621 624 Y HN 0.183 nan 8.280 nan 0.000 0.682 625 M N 1.496 121.117 119.600 0.034 0.000 2.105 625 M HA 0.270 4.710 4.480 -0.067 0.000 0.350 625 M C 0.223 176.486 176.300 -0.061 0.000 1.308 625 M CA -0.119 55.166 55.300 -0.026 0.000 1.108 625 M CB 0.223 32.778 32.600 -0.075 0.000 1.622 625 M HN 0.030 nan 8.290 nan 0.000 0.468 626 I N 7.371 127.903 120.570 -0.062 0.000 2.337 626 I HA 0.247 4.377 4.170 -0.067 0.000 0.291 626 I C -1.746 174.297 176.117 -0.123 0.000 1.046 626 I CA -1.993 59.259 61.300 -0.080 0.000 1.324 626 I CB 0.486 38.455 38.000 -0.053 0.000 1.409 626 I HN 0.285 nan 8.210 nan 0.000 0.494 627 P HA 0.129 nan 4.420 nan 0.000 0.276 627 P C 0.474 177.586 177.300 -0.314 0.000 1.261 627 P CA -0.288 62.679 63.100 -0.222 0.000 0.800 627 P CB 1.481 33.047 31.700 -0.223 0.000 1.066 628 E N 0.034 119.967 120.200 -0.445 0.000 2.076 628 E HA -0.105 4.205 4.350 -0.067 0.000 0.190 628 E C 0.161 176.177 176.600 -0.973 0.000 0.979 628 E CA 0.898 56.850 56.400 -0.747 0.000 0.807 628 E CB 0.271 29.461 29.700 -0.851 0.000 0.761 628 E HN 0.447 nan 8.360 nan 0.000 0.454 629 Q N 0.264 119.632 119.800 -0.719 0.000 2.421 629 Q HA 0.470 4.770 4.340 -0.067 0.000 0.280 629 Q C -1.280 174.537 176.000 -0.306 0.000 1.085 629 Q CA -0.900 54.556 55.803 -0.579 0.000 0.807 629 Q CB 2.974 31.375 28.738 -0.562 0.000 1.405 629 Q HN 0.131 nan 8.270 nan 0.000 0.419 630 V N -2.616 117.177 119.914 -0.202 0.000 2.823 630 V HA 0.563 4.643 4.120 -0.067 0.000 0.312 630 V C -0.504 175.572 176.094 -0.030 0.000 1.072 630 V CA -1.062 61.175 62.300 -0.104 0.000 0.937 630 V CB 1.902 33.671 31.823 -0.091 0.000 1.013 630 V HN 0.899 nan 8.190 nan 0.000 0.430 631 W N 4.084 125.268 121.300 -0.192 0.000 2.209 631 W HA 0.215 4.834 4.660 -0.067 0.000 0.344 631 W C -0.040 176.425 176.519 -0.090 0.000 1.285 631 W CA 1.027 58.278 57.345 -0.156 0.000 1.267 631 W CB 1.214 30.583 29.460 -0.151 0.000 1.167 631 W HN 1.017 nan 8.180 nan 0.000 0.574 632 D N 2.978 122.910 120.400 -0.780 0.000 2.599 632 D HA 0.155 4.755 4.640 -0.067 0.000 0.249 632 D C -0.148 175.826 176.300 -0.543 0.000 1.313 632 D CA -0.183 53.509 54.000 -0.514 0.000 0.815 632 D CB 0.055 40.657 40.800 -0.330 0.000 1.077 632 D HN 0.039 nan 8.370 nan 0.000 0.492 633 R N 0.425 120.469 120.500 -0.759 0.000 2.740 633 R HA 0.322 4.622 4.340 -0.067 0.000 0.282 633 R C 0.433 176.840 176.300 0.180 0.000 0.969 633 R CA -0.666 55.306 56.100 -0.213 0.000 0.918 633 R CB 1.224 31.464 30.300 -0.099 0.000 1.175 633 R HN -0.176 nan 8.270 nan 0.000 0.464 634 D N 1.123 121.600 120.400 0.129 0.000 2.144 634 D HA -0.116 4.484 4.640 -0.067 0.000 0.200 634 D C 0.415 176.833 176.300 0.196 0.000 0.978 634 D CA 1.462 55.545 54.000 0.139 0.000 0.833 634 D CB 0.496 41.340 40.800 0.073 0.000 0.961 634 D HN 0.495 nan 8.370 nan 0.000 0.470 635 E N 1.685 122.029 120.200 0.241 0.000 2.313 635 E HA 0.246 4.556 4.350 -0.067 0.000 0.272 635 E C -2.603 174.149 176.600 0.253 0.000 1.038 635 E CA -1.954 54.570 56.400 0.206 0.000 0.863 635 E CB 1.333 31.130 29.700 0.162 0.000 1.060 635 E HN -0.017 nan 8.360 nan 0.000 0.402 636 P HA 0.097 nan 4.420 nan 0.000 0.295 636 P C 0.139 177.367 177.300 -0.120 0.000 1.397 636 P CA -0.332 62.717 63.100 -0.085 0.000 0.903 636 P CB 0.791 32.447 31.700 -0.073 0.000 1.028 637 T N 0.493 114.928 114.554 -0.198 0.000 2.560 637 T HA -0.069 4.241 4.350 -0.067 0.000 0.354 637 T C 1.779 176.396 174.700 -0.137 0.000 1.051 637 T CA 0.632 62.670 62.100 -0.105 0.000 1.032 637 T CB -0.617 68.200 68.868 -0.084 0.000 1.057 637 T HN 0.384 nan 8.240 nan 0.000 0.529 638 S N -0.443 115.206 115.700 -0.085 0.000 2.392 638 S HA -0.183 4.247 4.470 -0.067 0.000 0.232 638 S C 0.673 175.096 174.600 -0.295 0.000 1.041 638 S CA 0.908 58.989 58.200 -0.198 0.000 1.026 638 S CB -1.368 61.666 63.200 -0.277 0.000 0.845 638 S HN 0.732 nan 8.310 nan 0.000 0.465 639 Y N 3.284 123.360 120.300 -0.373 0.000 2.624 639 Y HA 0.469 4.979 4.550 -0.067 0.000 0.354 639 Y C 1.474 176.980 175.900 -0.657 0.000 1.051 639 Y CA -0.433 57.369 58.100 -0.496 0.000 1.377 639 Y CB -0.424 37.635 38.460 -0.669 0.000 1.168 639 Y HN 0.282 nan 8.280 nan 0.000 0.525 640 G N 4.076 112.730 108.800 -0.244 0.000 2.118 640 G HA2 -0.126 3.794 3.960 -0.067 0.000 0.268 640 G HA3 -0.126 3.794 3.960 -0.067 0.000 0.268 640 G C -0.543 174.251 174.900 -0.177 0.000 1.006 640 G CA -0.008 44.977 45.100 -0.192 0.000 1.066 640 G HN 0.808 nan 8.290 nan 0.000 0.388 641 H N 1.743 120.606 119.070 -0.346 0.000 2.538 641 H HA 0.350 4.866 4.556 -0.067 0.000 0.353 641 H C -0.310 174.815 175.328 -0.338 0.000 1.109 641 H CA -0.766 54.957 56.048 -0.541 0.000 1.192 641 H CB 2.076 30.969 29.762 -1.448 0.000 1.555 641 H HN 0.517 nan 8.280 nan 0.000 0.518 642 E N 2.237 122.450 120.200 0.022 0.000 2.227 642 E HA 0.211 4.521 4.350 -0.067 0.000 0.268 642 E C -0.664 176.097 176.600 0.268 0.000 0.907 642 E CA -0.980 55.495 56.400 0.126 0.000 0.786 642 E CB 2.810 32.544 29.700 0.056 0.000 1.191 642 E HN 0.302 nan 8.360 nan 0.000 0.411 643 L N 1.978 123.355 121.223 0.256 0.000 2.477 643 L HA 0.143 4.443 4.340 -0.067 0.000 0.272 643 L C 0.823 177.732 176.870 0.065 0.000 1.157 643 L CA 1.015 55.958 54.840 0.172 0.000 0.889 643 L CB -0.227 41.886 42.059 0.090 0.000 1.158 643 L HN 0.993 nan 8.230 nan 0.000 0.473 644 G N 3.631 112.448 108.800 0.029 0.000 2.157 644 G HA2 -0.201 3.719 3.960 -0.067 0.000 0.248 644 G HA3 -0.201 3.719 3.960 -0.067 0.000 0.248 644 G C 0.022 174.905 174.900 -0.027 0.000 0.979 644 G CA -0.273 44.813 45.100 -0.024 0.000 0.650 644 G HN 0.545 nan 8.290 nan 0.000 0.529 645 R N 0.231 120.733 120.500 0.003 0.000 2.803 645 R HA 0.680 4.980 4.340 -0.067 0.000 0.276 645 R C 0.356 176.629 176.300 -0.044 0.000 0.978 645 R CA -0.352 55.729 56.100 -0.031 0.000 0.939 645 R CB 0.939 31.226 30.300 -0.021 0.000 1.179 645 R HN 0.419 nan 8.270 nan 0.000 0.472 646 S N 0.635 116.284 115.700 -0.085 0.000 2.702 646 S HA -0.104 4.326 4.470 -0.067 0.000 0.314 646 S C 1.442 175.972 174.600 -0.117 0.000 1.244 646 S CA 0.608 58.738 58.200 -0.117 0.000 1.058 646 S CB 0.227 63.354 63.200 -0.123 0.000 0.783 646 S HN 0.641 nan 8.310 nan 0.000 0.503 647 T N 2.833 117.292 114.554 -0.157 0.000 2.962 647 T HA 0.169 4.479 4.350 -0.067 0.000 0.270 647 T C 1.607 176.227 174.700 -0.135 0.000 1.088 647 T CA 1.066 63.031 62.100 -0.225 0.000 1.127 647 T CB -0.720 68.061 68.868 -0.145 0.000 0.883 647 T HN 1.813 nan 8.240 nan 0.000 0.493 648 G N 0.626 109.347 108.800 -0.132 0.000 2.176 648 G HA2 -0.322 3.598 3.960 -0.067 0.000 0.232 648 G HA3 -0.322 3.598 3.960 -0.067 0.000 0.232 648 G C 1.161 175.956 174.900 -0.175 0.000 0.986 648 G CA 0.893 45.937 45.100 -0.094 0.000 0.643 648 G HN 1.094 nan 8.290 nan 0.000 0.522 649 S N -0.621 114.875 115.700 -0.339 0.000 2.377 649 S HA 0.603 5.033 4.470 -0.067 0.000 0.223 649 S C 1.113 175.315 174.600 -0.664 0.000 1.030 649 S CA 1.545 59.289 58.200 -0.760 0.000 0.970 649 S CB 0.282 62.678 63.200 -1.341 0.000 0.830 649 S HN 2.163 nan 8.310 nan 0.000 0.473 650 A N 0.050 122.587 122.820 -0.472 0.000 2.513 650 A HA 0.699 4.979 4.320 -0.067 0.000 0.285 650 A C -0.533 176.922 177.584 -0.216 0.000 1.047 650 A CA -0.250 51.606 52.037 -0.302 0.000 0.864 650 A CB 1.185 20.046 19.000 -0.233 0.000 1.373 650 A HN 0.468 nan 8.150 nan 0.000 0.403 651 S N 3.561 119.174 115.700 -0.144 0.000 2.548 651 S HA 0.808 5.238 4.470 -0.067 0.000 0.278 651 S C -3.309 171.244 174.600 -0.079 0.000 1.150 651 S CA -0.861 57.265 58.200 -0.124 0.000 0.907 651 S CB 2.112 65.225 63.200 -0.145 0.000 1.108 651 S HN 0.544 nan 8.310 nan 0.000 0.459 652 P HA 0.438 nan 4.420 nan 0.000 0.278 652 P C -1.287 175.971 177.300 -0.070 0.000 1.258 652 P CA -0.717 62.344 63.100 -0.065 0.000 0.811 652 P CB 0.803 32.481 31.700 -0.037 0.000 1.063 653 L N 1.375 122.524 121.223 -0.122 0.000 2.287 653 L HA 0.253 4.553 4.340 -0.067 0.000 0.287 653 L C 1.780 178.550 176.870 -0.166 0.000 1.022 653 L CA 0.190 54.942 54.840 -0.147 0.000 0.814 653 L CB 0.774 42.723 42.059 -0.183 0.000 1.217 653 L HN 0.383 nan 8.230 nan 0.000 0.420 654 S N 4.309 119.823 115.700 -0.310 0.000 2.387 654 S HA -0.214 4.215 4.470 -0.067 0.000 0.230 654 S C 1.555 176.094 174.600 -0.101 0.000 1.035 654 S CA 1.598 59.548 58.200 -0.416 0.000 1.014 654 S CB -0.284 62.532 63.200 -0.641 0.000 0.836 654 S HN 0.782 nan 8.310 nan 0.000 0.466 655 W N 2.285 123.446 121.300 -0.231 0.000 2.355 655 W HA 0.000 4.620 4.660 -0.067 0.000 0.309 655 W C 2.485 178.949 176.519 -0.092 0.000 1.206 655 W CA 1.405 58.659 57.345 -0.152 0.000 1.284 655 W CB -1.312 28.077 29.460 -0.119 0.000 1.145 655 W HN 0.358 nan 8.180 nan 0.000 0.502 656 A N -0.212 122.645 122.820 0.063 0.000 1.969 656 A HA -0.163 4.117 4.320 -0.067 0.000 0.218 656 A C 1.924 179.536 177.584 0.048 0.000 1.169 656 A CA 1.957 53.979 52.037 -0.025 0.000 0.635 656 A CB -0.754 18.181 19.000 -0.108 0.000 0.810 656 A HN 0.270 nan 8.150 nan 0.000 0.445 657 M N -0.139 119.467 119.600 0.012 0.000 2.132 657 M HA 0.034 4.474 4.480 -0.067 0.000 0.263 657 M C 2.250 178.579 176.300 0.049 0.000 1.065 657 M CA 1.422 56.727 55.300 0.009 0.000 1.122 657 M CB -0.615 31.948 32.600 -0.060 0.000 1.365 657 M HN 0.408 nan 8.290 nan 0.000 0.411 658 A N -1.084 121.756 122.820 0.033 0.000 1.898 658 A HA -0.197 4.083 4.320 -0.067 0.000 0.216 658 A C 2.072 179.690 177.584 0.057 0.000 1.181 658 A CA 1.764 53.806 52.037 0.009 0.000 0.620 658 A CB -0.775 18.197 19.000 -0.046 0.000 0.819 658 A HN 0.503 nan 8.150 nan 0.000 0.442 659 Q N -1.372 118.506 119.800 0.130 0.000 2.170 659 Q HA -0.188 4.112 4.340 -0.067 0.000 0.203 659 Q C 1.686 177.746 176.000 0.099 0.000 0.976 659 Q CA 2.071 57.946 55.803 0.119 0.000 0.858 659 Q CB -0.667 28.155 28.738 0.139 0.000 0.907 659 Q HN 0.747 nan 8.270 nan 0.000 0.433 660 Y N -0.777 119.545 120.300 0.037 0.000 2.163 660 Y HA -0.146 4.364 4.550 -0.067 0.000 0.288 660 Y C 1.931 177.873 175.900 0.070 0.000 1.136 660 Y CA 1.674 59.809 58.100 0.059 0.000 1.147 660 Y CB -0.208 38.286 38.460 0.056 0.000 0.987 660 Y HN -0.026 nan 8.280 nan 0.000 0.509 661 V N 0.848 120.868 119.914 0.176 0.000 2.295 661 V HA -0.307 3.772 4.120 -0.067 0.000 0.246 661 V C 2.506 178.648 176.094 0.079 0.000 1.049 661 V CA 2.335 64.680 62.300 0.076 0.000 1.024 661 V CB -0.724 31.032 31.823 -0.112 0.000 0.648 661 V HN 0.330 nan 8.190 nan 0.000 0.447 662 R N -0.458 120.050 120.500 0.014 0.000 2.081 662 R HA -0.177 4.123 4.340 -0.067 0.000 0.235 662 R C 2.267 178.555 176.300 -0.020 0.000 1.131 662 R CA 1.754 57.846 56.100 -0.012 0.000 0.960 662 R CB -0.324 29.948 30.300 -0.047 0.000 0.856 662 R HN 0.449 nan 8.270 nan 0.000 0.436 663 L N 0.439 121.635 121.223 -0.045 0.000 2.056 663 L HA -0.002 4.298 4.340 -0.067 0.000 0.207 663 L C 2.196 179.017 176.870 -0.081 0.000 1.078 663 L CA 2.096 56.893 54.840 -0.071 0.000 0.749 663 L CB -0.680 41.321 42.059 -0.097 0.000 0.901 663 L HN 0.190 nan 8.230 nan 0.000 0.433 664 A N -0.313 122.442 122.820 -0.109 0.000 1.940 664 A HA -0.121 4.159 4.320 -0.067 0.000 0.219 664 A C 2.445 180.008 177.584 -0.035 0.000 1.176 664 A CA 1.843 53.826 52.037 -0.089 0.000 0.631 664 A CB -1.169 17.818 19.000 -0.021 0.000 0.814 664 A HN 0.591 nan 8.150 nan 0.000 0.446 665 A N -0.607 122.233 122.820 0.033 0.000 1.930 665 A HA 0.162 4.442 4.320 -0.067 0.000 0.217 665 A C 2.356 179.929 177.584 -0.018 0.000 1.175 665 A CA 1.765 53.813 52.037 0.018 0.000 0.627 665 A CB -1.224 17.808 19.000 0.054 0.000 0.815 665 A HN 0.716 nan 8.150 nan 0.000 0.443 666 G N -0.699 108.087 108.800 -0.024 0.000 2.422 666 G HA2 -0.053 3.867 3.960 -0.067 0.000 0.218 666 G HA3 -0.053 3.867 3.960 -0.067 0.000 0.218 666 G C 1.440 176.320 174.900 -0.034 0.000 1.140 666 G CA 1.093 46.175 45.100 -0.030 0.000 0.775 666 G HN 0.298 nan 8.290 nan 0.000 0.545 667 V N 0.714 120.604 119.914 -0.040 0.000 2.407 667 V HA -0.131 3.949 4.120 -0.067 0.000 0.248 667 V C 2.653 178.723 176.094 -0.040 0.000 1.055 667 V CA 2.193 64.470 62.300 -0.037 0.000 1.049 667 V CB -0.238 31.559 31.823 -0.044 0.000 0.662 667 V HN 0.484 nan 8.190 nan 0.000 0.455 668 K N 0.317 120.686 120.400 -0.051 0.000 2.155 668 K HA -0.051 4.229 4.320 -0.067 0.000 0.203 668 K C 2.011 178.588 176.600 -0.038 0.000 1.052 668 K CA 1.306 57.561 56.287 -0.053 0.000 0.948 668 K CB -0.160 32.298 32.500 -0.070 0.000 0.728 668 K HN 0.422 nan 8.250 nan 0.000 0.448 669 A N 0.175 122.975 122.820 -0.032 0.000 2.021 669 A HA 0.188 4.468 4.320 -0.067 0.000 0.216 669 A C 1.536 179.106 177.584 -0.022 0.000 1.163 669 A CA 1.014 53.036 52.037 -0.025 0.000 0.676 669 A CB -0.321 18.666 19.000 -0.022 0.000 0.818 669 A HN 0.550 nan 8.150 nan 0.000 0.453 670 G N -2.711 106.075 108.800 -0.024 0.000 2.157 670 G HA2 0.279 4.199 3.960 -0.067 0.000 0.239 670 G HA3 0.279 4.199 3.960 -0.067 0.000 0.239 670 G C 0.205 175.091 174.900 -0.023 0.000 0.982 670 G CA 0.484 45.572 45.100 -0.021 0.000 0.650 670 G HN 2.007 nan 8.290 nan 0.000 0.527 671 A N -0.728 122.078 122.820 -0.024 0.000 2.590 671 A HA 0.768 5.048 4.320 -0.067 0.000 0.296 671 A C -2.989 174.582 177.584 -0.022 0.000 1.050 671 A CA -0.550 51.472 52.037 -0.024 0.000 0.697 671 A CB 1.330 20.320 19.000 -0.018 0.000 1.277 671 A HN 0.371 nan 8.150 nan 0.000 0.411 672 P HA 0.039 nan 4.420 nan 0.000 0.260 672 P C 0.760 178.055 177.300 -0.008 0.000 1.185 672 P CA 0.449 63.539 63.100 -0.016 0.000 0.763 672 P CB 1.012 32.708 31.700 -0.007 0.000 0.776 673 V N 3.292 123.197 119.914 -0.015 0.000 3.041 673 V HA -0.119 3.961 4.120 -0.067 0.000 0.260 673 V C 2.005 178.091 176.094 -0.014 0.000 1.105 673 V CA 1.727 64.018 62.300 -0.014 0.000 1.125 673 V CB -0.786 31.026 31.823 -0.019 0.000 0.730 673 V HN 0.584 nan 8.190 nan 0.000 0.479 674 E N -0.672 119.518 120.200 -0.016 0.000 2.472 674 E HA 0.017 4.327 4.350 -0.067 0.000 0.196 674 E C 0.713 177.336 176.600 0.039 0.000 1.033 674 E CA 0.090 56.481 56.400 -0.014 0.000 0.886 674 E CB -0.608 29.051 29.700 -0.068 0.000 0.944 674 E HN 0.474 nan 8.360 nan 0.000 0.492 675 T N 5.971 120.552 114.554 0.046 0.000 2.866 675 T HA 0.066 4.376 4.350 -0.067 0.000 0.293 675 T C -2.327 172.417 174.700 0.073 0.000 1.005 675 T CA -0.480 61.663 62.100 0.073 0.000 1.162 675 T CB 0.649 69.553 68.868 0.060 0.000 0.968 675 T HN 0.183 nan 8.240 nan 0.000 0.530 676 P HA 0.077 nan 4.420 nan 0.000 0.268 676 P C 0.643 177.982 177.300 0.065 0.000 1.282 676 P CA -0.018 63.134 63.100 0.086 0.000 0.880 676 P CB 0.555 32.323 31.700 0.113 0.000 0.971 677 Q N 2.992 122.817 119.800 0.042 0.000 2.112 677 Q HA -0.222 4.078 4.340 -0.067 0.000 0.206 677 Q C 1.782 177.790 176.000 0.013 0.000 0.987 677 Q CA 1.869 57.687 55.803 0.025 0.000 0.858 677 Q CB -0.414 28.332 28.738 0.014 0.000 0.905 677 Q HN 0.576 nan 8.270 nan 0.000 0.420 678 N N 0.450 119.156 118.700 0.010 0.000 2.309 678 N HA -0.102 4.598 4.740 -0.067 0.000 0.182 678 N C 1.674 177.165 175.510 -0.032 0.000 1.018 678 N CA 1.178 54.220 53.050 -0.013 0.000 0.876 678 N CB -0.503 37.978 38.487 -0.009 0.000 0.972 678 N HN 0.100 nan 8.380 nan 0.000 0.434 679 V N 1.466 121.388 119.914 0.013 0.000 2.302 679 V HA -0.029 4.051 4.120 -0.067 0.000 0.243 679 V C 2.802 178.913 176.094 0.030 0.000 1.036 679 V CA 1.647 63.968 62.300 0.036 0.000 1.020 679 V CB -1.081 30.833 31.823 0.151 0.000 0.657 679 V HN 0.443 nan 8.190 nan 0.000 0.453 680 A N 0.193 123.054 122.820 0.068 0.000 1.940 680 A HA -0.134 4.146 4.320 -0.067 0.000 0.219 680 A C 2.374 179.968 177.584 0.017 0.000 1.176 680 A CA 2.036 54.117 52.037 0.074 0.000 0.631 680 A CB -0.755 18.286 19.000 0.068 0.000 0.814 680 A HN 0.583 nan 8.150 nan 0.000 0.446 681 A N -0.667 122.140 122.820 -0.022 0.000 2.019 681 A HA -0.141 4.139 4.320 -0.067 0.000 0.219 681 A C 2.217 179.746 177.584 -0.092 0.000 1.164 681 A CA 1.709 53.720 52.037 -0.044 0.000 0.644 681 A CB -0.382 18.590 19.000 -0.045 0.000 0.805 681 A HN 0.581 nan 8.150 nan 0.000 0.449 682 R N -2.510 117.877 120.500 -0.189 0.000 2.105 682 R HA 0.017 4.317 4.340 -0.067 0.000 0.214 682 R C 1.338 177.437 176.300 -0.335 0.000 1.091 682 R CA 1.136 57.022 56.100 -0.358 0.000 1.007 682 R CB -0.050 29.855 30.300 -0.657 0.000 0.912 682 R HN 0.542 nan 8.270 nan 0.000 0.450 683 Y N -1.606 118.708 120.300 0.022 0.000 2.498 683 Y HA 0.412 4.922 4.550 -0.067 0.000 0.259 683 Y C 1.558 177.475 175.900 0.027 0.000 1.086 683 Y CA 0.217 58.330 58.100 0.022 0.000 1.287 683 Y CB 0.547 39.025 38.460 0.030 0.000 1.146 683 Y HN 0.129 nan 8.280 nan 0.000 0.523 684 A N -0.393 122.523 122.820 0.160 0.000 2.431 684 A HA 0.664 4.944 4.320 -0.067 0.000 0.239 684 A C 1.409 179.032 177.584 0.065 0.000 1.230 684 A CA 0.409 52.515 52.037 0.114 0.000 0.928 684 A CB -0.519 18.550 19.000 0.116 0.000 1.006 684 A HN 0.185 nan 8.150 nan 0.000 0.520 685 A N -0.320 122.525 122.820 0.042 0.000 2.599 685 A HA 0.617 4.897 4.320 -0.067 0.000 0.257 685 A C 1.559 179.155 177.584 0.020 0.000 1.641 685 A CA 0.334 52.383 52.037 0.020 0.000 0.842 685 A CB -0.899 18.102 19.000 0.000 0.000 1.599 685 A HN 0.587 nan 8.150 nan 0.000 0.585 686 G N -1.242 107.563 108.800 0.009 0.000 2.622 686 G HA2 0.268 4.188 3.960 -0.067 0.000 0.206 686 G HA3 0.268 4.188 3.960 -0.067 0.000 0.206 686 G C 0.497 175.403 174.900 0.009 0.000 1.458 686 G CA 0.979 46.084 45.100 0.009 0.000 0.919 686 G HN 0.755 nan 8.290 nan 0.000 0.508 687 T N 3.362 117.918 114.554 0.003 0.000 2.934 687 T HA 0.355 4.665 4.350 -0.067 0.000 0.306 687 T C -1.651 173.052 174.700 0.004 0.000 1.042 687 T CA -0.456 61.645 62.100 0.002 0.000 1.145 687 T CB 1.167 70.033 68.868 -0.003 0.000 0.982 687 T HN 0.290 nan 8.240 nan 0.000 0.544 688 P HA 0.428 nan 4.420 nan 0.000 0.279 688 P C -0.745 176.558 177.300 0.006 0.000 1.252 688 P CA -0.624 62.484 63.100 0.013 0.000 0.811 688 P CB 0.916 32.625 31.700 0.014 0.000 1.035 689 L N 0.715 121.943 121.223 0.009 0.000 2.352 689 L HA 0.344 4.644 4.340 -0.067 0.000 0.269 689 L C 1.229 178.102 176.870 0.005 0.000 1.034 689 L CA -0.893 53.948 54.840 0.002 0.000 0.806 689 L CB 1.314 43.371 42.059 -0.003 0.000 1.244 689 L HN 0.502 nan 8.230 nan 0.000 0.447 690 S N -0.122 115.579 115.700 0.002 0.000 2.584 690 S HA 0.147 4.577 4.470 -0.067 0.000 0.270 690 S C 0.020 174.623 174.600 0.005 0.000 1.346 690 S CA -0.592 57.610 58.200 0.003 0.000 1.018 690 S CB 1.314 64.514 63.200 0.001 0.000 0.899 690 S HN 0.544 nan 8.310 nan 0.000 0.542 691 S N 3.062 118.764 115.700 0.004 0.000 2.577 691 S HA 0.435 4.865 4.470 -0.067 0.000 0.294 691 S C -2.253 172.350 174.600 0.006 0.000 1.161 691 S CA -1.541 56.661 58.200 0.005 0.000 1.143 691 S CB -0.126 63.074 63.200 0.000 0.000 0.991 691 S HN 0.754 nan 8.310 nan 0.000 0.475 692 P HA 0.186 nan 4.420 nan 0.000 0.270 692 P C -0.437 176.873 177.300 0.018 0.000 1.223 692 P CA -0.221 62.886 63.100 0.012 0.000 0.785 692 P CB 0.524 32.230 31.700 0.011 0.000 0.923 693 E N 0.792 121.006 120.200 0.023 0.000 2.283 693 E HA 0.454 4.764 4.350 -0.067 0.000 0.278 693 E C -1.285 175.345 176.600 0.050 0.000 1.027 693 E CA -0.559 55.859 56.400 0.031 0.000 0.843 693 E CB 0.357 30.073 29.700 0.027 0.000 1.062 693 E HN 0.295 nan 8.360 nan 0.000 0.401 694 L N 3.384 124.643 121.223 0.060 0.000 2.476 694 L HA 0.551 4.851 4.340 -0.067 0.000 0.269 694 L C -1.508 175.424 176.870 0.103 0.000 0.965 694 L CA -0.116 54.782 54.840 0.097 0.000 0.845 694 L CB 2.076 44.182 42.059 0.079 0.000 1.259 694 L HN 0.423 nan 8.230 nan 0.000 0.403 695 S N 4.186 119.965 115.700 0.132 0.000 2.707 695 S HA 0.719 5.149 4.470 -0.067 0.000 0.303 695 S C -1.279 173.378 174.600 0.095 0.000 1.132 695 S CA -0.460 57.792 58.200 0.087 0.000 1.046 695 S CB 1.217 64.440 63.200 0.037 0.000 1.004 695 S HN 0.437 nan 8.310 nan 0.000 0.483 696 V N 5.957 125.932 119.914 0.102 0.000 2.304 696 V HA 0.251 4.331 4.120 -0.067 0.000 0.269 696 V C 1.546 177.654 176.094 0.023 0.000 1.036 696 V CA -0.059 62.299 62.300 0.096 0.000 0.840 696 V CB 0.519 32.436 31.823 0.156 0.000 1.036 696 V HN 1.052 nan 8.190 nan 0.000 0.466 697 T N 1.182 115.712 114.554 -0.039 0.000 3.067 697 T HA 0.349 4.659 4.350 -0.067 0.000 0.261 697 T C 0.594 175.282 174.700 -0.021 0.000 1.110 697 T CA 0.668 62.746 62.100 -0.036 0.000 1.113 697 T CB 0.322 69.149 68.868 -0.068 0.000 0.917 697 T HN 0.880 nan 8.240 nan 0.000 0.499 698 A N 1.884 124.694 122.820 -0.016 0.000 2.488 698 A HA 0.724 5.004 4.320 -0.067 0.000 0.295 698 A C -2.995 174.607 177.584 0.029 0.000 1.045 698 A CA -1.706 50.333 52.037 0.003 0.000 0.703 698 A CB 1.711 20.705 19.000 -0.011 0.000 1.271 698 A HN 0.104 nan 8.150 nan 0.000 0.400 699 P HA 0.369 nan 4.420 nan 0.000 0.312 699 P C -0.335 176.984 177.300 0.033 0.000 1.308 699 P CA -0.137 62.982 63.100 0.032 0.000 0.743 699 P CB 0.825 32.546 31.700 0.036 0.000 1.364 700 E N -1.423 118.795 120.200 0.030 0.000 2.292 700 E HA 0.330 4.640 4.350 -0.067 0.000 0.258 700 E C 1.553 178.173 176.600 0.034 0.000 1.115 700 E CA -0.640 55.778 56.400 0.030 0.000 0.929 700 E CB 0.546 30.262 29.700 0.027 0.000 1.161 700 E HN 0.347 nan 8.360 nan 0.000 0.453 701 A N 1.009 123.850 122.820 0.035 0.000 1.915 701 A HA -0.199 4.081 4.320 -0.067 0.000 0.220 701 A C 0.815 178.417 177.584 0.029 0.000 1.198 701 A CA 1.683 53.742 52.037 0.036 0.000 0.647 701 A CB -0.247 18.774 19.000 0.035 0.000 0.825 701 A HN 0.304 nan 8.150 nan 0.000 0.456 702 L N -0.587 120.651 121.223 0.026 0.000 2.409 702 L HA 0.628 4.928 4.340 -0.067 0.000 0.272 702 L C -0.310 176.576 176.870 0.026 0.000 0.980 702 L CA 0.469 55.322 54.840 0.022 0.000 0.826 702 L CB 2.101 44.171 42.059 0.020 0.000 1.268 702 L HN 0.424 nan 8.230 nan 0.000 0.407 703 S N 1.629 117.343 115.700 0.024 0.000 2.656 703 S HA 0.805 5.235 4.470 -0.067 0.000 0.273 703 S C -0.954 173.662 174.600 0.027 0.000 1.168 703 S CA -0.705 57.516 58.200 0.034 0.000 0.817 703 S CB 1.882 65.104 63.200 0.038 0.000 1.146 703 S HN 0.542 nan 8.310 nan 0.000 0.475 704 T N 1.662 116.248 114.554 0.053 0.000 2.809 704 T HA 0.761 5.071 4.350 -0.067 0.000 0.284 704 T C 0.294 175.045 174.700 0.085 0.000 0.992 704 T CA -0.200 61.926 62.100 0.042 0.000 0.957 704 T CB 1.092 70.034 68.868 0.123 0.000 0.942 704 T HN 1.095 nan 8.240 nan 0.000 0.439 705 A N 2.179 125.033 122.820 0.058 0.000 2.448 705 A HA 0.302 4.582 4.320 -0.067 0.000 0.239 705 A C 0.783 178.487 177.584 0.201 0.000 1.080 705 A CA -0.155 51.953 52.037 0.119 0.000 0.779 705 A CB 0.142 19.233 19.000 0.152 0.000 1.026 705 A HN 0.814 nan 8.150 nan 0.000 0.499 706 D N -0.628 119.885 120.400 0.188 0.000 2.398 706 D HA 0.173 4.773 4.640 -0.067 0.000 0.210 706 D C 0.524 176.934 176.300 0.182 0.000 1.094 706 D CA 1.158 55.279 54.000 0.202 0.000 0.839 706 D CB 0.246 41.110 40.800 0.107 0.000 0.963 706 D HN 0.629 nan 8.370 nan 0.000 0.506 707 S N -1.164 114.657 115.700 0.202 0.000 2.755 707 S HA 0.541 4.971 4.470 -0.067 0.000 0.286 707 S C 0.326 175.139 174.600 0.355 0.000 1.207 707 S CA -0.233 58.102 58.200 0.225 0.000 0.892 707 S CB 1.177 64.462 63.200 0.142 0.000 1.240 707 S HN -0.147 nan 8.310 nan 0.000 0.525 708 A N 0.777 123.767 122.820 0.283 0.000 2.238 708 A HA 0.502 4.782 4.320 -0.067 0.000 0.208 708 A C 0.958 178.536 177.584 -0.011 0.000 1.177 708 A CA 0.943 53.046 52.037 0.110 0.000 0.804 708 A CB -1.218 17.795 19.000 0.021 0.000 0.823 708 A HN 1.433 nan 8.150 nan 0.000 0.482 709 T N -3.899 110.687 114.554 0.053 0.000 2.906 709 T HA 0.761 5.071 4.350 -0.067 0.000 0.295 709 T C -0.684 174.046 174.700 0.049 0.000 1.075 709 T CA -0.159 61.956 62.100 0.025 0.000 1.005 709 T CB 1.840 70.721 68.868 0.023 0.000 1.136 709 T HN 0.929 nan 8.240 nan 0.000 0.498 710 A N 1.394 124.235 122.820 0.036 0.000 2.449 710 A HA 0.726 5.006 4.320 -0.067 0.000 0.302 710 A C -0.542 177.066 177.584 0.040 0.000 1.048 710 A CA -0.860 51.203 52.037 0.044 0.000 0.708 710 A CB 1.750 20.776 19.000 0.043 0.000 1.274 710 A HN 0.917 nan 8.150 nan 0.000 0.410 711 V N 2.219 122.157 119.914 0.040 0.000 2.439 711 V HA 0.290 4.370 4.120 -0.067 0.000 0.271 711 V C -0.206 175.916 176.094 0.048 0.000 1.040 711 V CA 0.002 62.325 62.300 0.038 0.000 1.002 711 V CB 0.923 32.760 31.823 0.023 0.000 1.000 711 V HN 0.563 nan 8.190 nan 0.000 0.477 712 V N 7.631 127.590 119.914 0.075 0.000 2.350 712 V HA 0.621 4.701 4.120 -0.067 0.000 0.285 712 V C 0.142 176.339 176.094 0.171 0.000 1.014 712 V CA -0.614 61.761 62.300 0.124 0.000 0.831 712 V CB 1.171 33.083 31.823 0.149 0.000 1.000 712 V HN 1.040 nan 8.190 nan 0.000 0.433 713 R N 3.327 123.845 120.500 0.029 0.000 2.817 713 R HA 0.989 5.289 4.340 -0.067 0.000 0.268 713 R C -0.132 175.787 176.300 -0.636 0.000 1.027 713 R CA -0.432 55.470 56.100 -0.329 0.000 0.928 713 R CB 2.410 32.562 30.300 -0.246 0.000 1.228 713 R HN 0.845 nan 8.270 nan 0.000 0.469 714 G N 0.003 108.050 108.800 -1.255 0.000 2.367 714 G HA2 0.304 4.224 3.960 -0.067 0.000 0.272 714 G HA3 0.304 4.224 3.960 -0.067 0.000 0.272 714 G C -1.528 172.927 174.900 -0.743 0.000 1.271 714 G CA -0.533 44.095 45.100 -0.786 0.000 0.893 714 G HN 0.604 nan 8.290 nan 0.000 0.485 715 T N -0.228 114.188 114.554 -0.230 0.000 2.908 715 T HA 0.823 5.133 4.350 -0.067 0.000 0.290 715 T C -0.669 174.134 174.700 0.171 0.000 1.034 715 T CA 0.144 62.228 62.100 -0.027 0.000 1.010 715 T CB 1.836 70.686 68.868 -0.030 0.000 1.068 715 T HN 1.125 nan 8.240 nan 0.000 0.481 716 T N 1.080 115.734 114.554 0.167 0.000 2.886 716 T HA 0.350 4.660 4.350 -0.067 0.000 0.330 716 T C -0.974 173.775 174.700 0.082 0.000 1.488 716 T CA -0.760 61.426 62.100 0.143 0.000 1.054 716 T CB 0.930 69.904 68.868 0.175 0.000 1.348 716 T HN 0.621 nan 8.240 nan 0.000 0.489 717 N N 1.588 120.319 118.700 0.051 0.000 2.275 717 N HA 0.369 5.069 4.740 -0.067 0.000 0.236 717 N C 0.071 175.592 175.510 0.019 0.000 1.154 717 N CA -0.366 52.702 53.050 0.030 0.000 0.866 717 N CB 0.667 39.167 38.487 0.021 0.000 1.093 717 N HN 0.651 nan 8.380 nan 0.000 0.515 718 A N -0.129 122.702 122.820 0.018 0.000 2.279 718 A HA 0.770 5.050 4.320 -0.067 0.000 0.303 718 A C 1.255 178.831 177.584 -0.014 0.000 1.108 718 A CA -0.089 51.947 52.037 -0.001 0.000 0.830 718 A CB 0.833 19.826 19.000 -0.011 0.000 1.106 718 A HN 0.243 nan 8.150 nan 0.000 0.493 719 A N 0.968 123.775 122.820 -0.021 0.000 1.873 719 A HA 0.095 4.375 4.320 -0.067 0.000 0.215 719 A C 1.041 178.586 177.584 -0.064 0.000 1.186 719 A CA 1.385 53.404 52.037 -0.030 0.000 0.616 719 A CB -0.179 18.808 19.000 -0.021 0.000 0.823 719 A HN 0.726 nan 8.150 nan 0.000 0.442 720 K N -1.400 118.946 120.400 -0.089 0.000 2.395 720 K HA 0.662 4.942 4.320 -0.067 0.000 0.247 720 K C -1.762 174.684 176.600 -0.256 0.000 0.973 720 K CA -0.645 55.525 56.287 -0.195 0.000 0.828 720 K CB 2.768 35.142 32.500 -0.209 0.000 1.272 720 K HN -0.016 nan 8.250 nan 0.000 0.439 721 V N 2.192 121.843 119.914 -0.438 0.000 2.760 721 V HA 0.418 4.498 4.120 -0.067 0.000 0.309 721 V C -1.650 174.087 176.094 -0.596 0.000 1.077 721 V CA -0.867 61.151 62.300 -0.470 0.000 0.910 721 V CB 1.447 32.868 31.823 -0.670 0.000 1.008 721 V HN 0.620 nan 8.190 nan 0.000 0.424 722 Y N 2.406 122.565 120.300 -0.235 0.000 2.425 722 Y HA 0.699 5.209 4.550 -0.067 0.000 0.344 722 Y C -0.174 175.621 175.900 -0.175 0.000 0.969 722 Y CA -0.901 57.093 58.100 -0.176 0.000 1.052 722 Y CB 2.357 40.732 38.460 -0.140 0.000 1.215 722 Y HN 0.343 nan 8.280 nan 0.000 0.451 723 V N 2.599 122.522 119.914 0.016 0.000 2.378 723 V HA 0.462 4.542 4.120 -0.067 0.000 0.288 723 V C -0.479 175.620 176.094 0.009 0.000 1.016 723 V CA -0.583 61.712 62.300 -0.008 0.000 0.840 723 V CB 1.568 33.384 31.823 -0.012 0.000 0.994 723 V HN 0.753 nan 8.190 nan 0.000 0.431 724 S N 3.798 119.494 115.700 -0.007 0.000 2.473 724 S HA 0.680 5.110 4.470 -0.067 0.000 0.307 724 S C -0.960 173.627 174.600 -0.022 0.000 1.094 724 S CA -0.489 57.695 58.200 -0.026 0.000 1.070 724 S CB 1.667 64.831 63.200 -0.060 0.000 1.019 724 S HN 0.695 nan 8.310 nan 0.000 0.480 725 V N 6.101 125.999 119.914 -0.026 0.000 2.350 725 V HA 0.489 4.569 4.120 -0.067 0.000 0.285 725 V C -0.037 176.037 176.094 -0.034 0.000 1.014 725 V CA -0.282 62.001 62.300 -0.028 0.000 0.831 725 V CB 0.137 31.939 31.823 -0.035 0.000 1.000 725 V HN 1.165 nan 8.190 nan 0.000 0.433 726 N N 5.138 123.821 118.700 -0.027 0.000 2.721 726 N HA -0.215 4.485 4.740 -0.067 0.000 0.249 726 N C 1.008 176.506 175.510 -0.019 0.000 1.072 726 N CA 0.820 53.855 53.050 -0.025 0.000 0.710 726 N CB -1.057 37.409 38.487 -0.035 0.000 0.993 726 N HN 1.544 nan 8.380 nan 0.000 0.547 727 G N -2.267 106.522 108.800 -0.019 0.000 2.232 727 G HA2 -0.277 3.643 3.960 -0.067 0.000 0.226 727 G HA3 -0.277 3.643 3.960 -0.067 0.000 0.226 727 G C 0.127 175.000 174.900 -0.046 0.000 0.996 727 G CA 0.271 45.360 45.100 -0.020 0.000 0.626 727 G HN 0.362 nan 8.290 nan 0.000 0.509 728 T N 1.915 116.443 114.554 -0.044 0.000 2.738 728 T HA 0.697 5.007 4.350 -0.067 0.000 0.298 728 T C 0.335 175.009 174.700 -0.043 0.000 0.962 728 T CA 0.603 62.677 62.100 -0.044 0.000 0.972 728 T CB 1.529 70.374 68.868 -0.038 0.000 0.928 728 T HN 1.236 nan 8.240 nan 0.000 0.474 729 A N 3.028 125.817 122.820 -0.051 0.000 2.312 729 A HA 0.825 5.105 4.320 -0.067 0.000 0.328 729 A C 0.296 177.891 177.584 0.019 0.000 1.158 729 A CA -0.723 51.296 52.037 -0.031 0.000 0.821 729 A CB 1.229 20.173 19.000 -0.094 0.000 1.170 729 A HN 0.682 nan 8.150 nan 0.000 0.490 730 T N 0.603 115.193 114.554 0.060 0.000 2.952 730 T HA 0.416 4.726 4.350 -0.067 0.000 0.305 730 T C -0.756 173.997 174.700 0.089 0.000 1.064 730 T CA -0.489 61.651 62.100 0.068 0.000 1.008 730 T CB 1.085 69.966 68.868 0.022 0.000 1.078 730 T HN 0.765 nan 8.240 nan 0.000 0.459 731 E N 2.555 122.793 120.200 0.064 0.000 2.354 731 E HA 0.569 4.879 4.350 -0.067 0.000 0.269 731 E C -0.639 175.862 176.600 -0.164 0.000 1.036 731 E CA -0.572 55.730 56.400 -0.163 0.000 0.876 731 E CB 0.816 30.363 29.700 -0.255 0.000 1.009 731 E HN 0.751 nan 8.360 nan 0.000 0.416 732 A N 6.073 128.742 122.820 -0.250 0.000 2.267 732 A HA 0.400 4.680 4.320 -0.067 0.000 0.315 732 A C -2.364 175.133 177.584 -0.145 0.000 1.297 732 A CA -1.660 50.291 52.037 -0.143 0.000 0.865 732 A CB 0.719 19.634 19.000 -0.142 0.000 1.165 732 A HN 0.482 nan 8.150 nan 0.000 0.513 733 P HA 0.128 nan 4.420 nan 0.000 0.267 733 P C -0.333 176.965 177.300 -0.003 0.000 1.209 733 P CA 0.303 63.368 63.100 -0.059 0.000 0.763 733 P CB 0.892 32.573 31.700 -0.032 0.000 0.816 734 V N 4.571 124.473 119.914 -0.019 0.000 2.432 734 V HA 0.380 4.460 4.120 -0.067 0.000 0.275 734 V C 0.901 177.011 176.094 0.028 0.000 1.043 734 V CA 0.068 62.392 62.300 0.041 0.000 0.925 734 V CB 1.114 32.946 31.823 0.014 0.000 0.985 734 V HN 0.782 nan 8.190 nan 0.000 0.466 735 T N 0.330 114.910 114.554 0.043 0.000 2.881 735 T HA 0.407 4.717 4.350 -0.067 0.000 0.291 735 T C -0.247 174.463 174.700 0.017 0.000 0.990 735 T CA -0.598 61.514 62.100 0.020 0.000 0.976 735 T CB 1.267 70.142 68.868 0.013 0.000 0.970 735 T HN 0.723 nan 8.240 nan 0.000 0.438 736 D N 2.196 122.602 120.400 0.011 0.000 2.708 736 D HA -0.198 4.402 4.640 -0.067 0.000 0.236 736 D C 1.264 177.571 176.300 0.012 0.000 1.146 736 D CA 1.963 55.967 54.000 0.007 0.000 0.662 736 D CB -1.359 39.441 40.800 -0.001 0.000 1.059 736 D HN 1.702 nan 8.370 nan 0.000 0.428 737 G N -0.277 108.539 108.800 0.027 0.000 2.168 737 G HA2 -0.314 3.606 3.960 -0.067 0.000 0.257 737 G HA3 -0.314 3.606 3.960 -0.067 0.000 0.257 737 G C 0.421 175.351 174.900 0.052 0.000 0.997 737 G CA 1.441 46.566 45.100 0.042 0.000 0.708 737 G HN 1.027 nan 8.290 nan 0.000 0.520 738 T N -1.922 112.660 114.554 0.047 0.000 2.906 738 T HA 0.875 5.185 4.350 -0.067 0.000 0.295 738 T C -0.516 174.232 174.700 0.080 0.000 1.075 738 T CA -0.311 61.782 62.100 -0.013 0.000 1.005 738 T CB 2.779 71.602 68.868 -0.076 0.000 1.136 738 T HN 1.603 nan 8.240 nan 0.000 0.498 739 F N -1.458 118.477 119.950 -0.025 0.000 2.662 739 F HA 0.881 5.368 4.527 -0.067 0.000 0.312 739 F C -0.826 174.960 175.800 -0.023 0.000 1.113 739 F CA -1.067 56.915 58.000 -0.031 0.000 0.951 739 F CB 1.670 40.645 39.000 -0.042 0.000 1.344 739 F HN 0.811 nan 8.300 nan 0.000 0.462 740 S N 2.305 118.119 115.700 0.189 0.000 2.550 740 S HA 0.592 5.022 4.470 -0.067 0.000 0.274 740 S C -2.460 172.213 174.600 0.122 0.000 1.110 740 S CA -0.408 57.844 58.200 0.087 0.000 1.013 740 S CB 0.876 64.064 63.200 -0.021 0.000 1.152 740 S HN 1.039 nan 8.310 nan 0.000 0.450 741 L N 3.950 125.259 121.223 0.143 0.000 2.385 741 L HA 0.682 4.982 4.340 -0.067 0.000 0.273 741 L C -1.148 175.759 176.870 0.061 0.000 0.990 741 L CA -0.156 54.736 54.840 0.087 0.000 0.821 741 L CB 1.901 44.008 42.059 0.081 0.000 1.279 741 L HN 0.558 nan 8.230 nan 0.000 0.412 742 D N 4.399 124.822 120.400 0.038 0.000 2.494 742 D HA 0.132 4.732 4.640 -0.067 0.000 0.217 742 D C -0.245 176.068 176.300 0.021 0.000 1.153 742 D CA 0.227 54.245 54.000 0.030 0.000 0.954 742 D CB 1.335 42.149 40.800 0.023 0.000 1.034 742 D HN 0.317 nan 8.370 nan 0.000 0.518 743 V N 1.673 121.600 119.914 0.022 0.000 2.732 743 V HA 0.447 4.527 4.120 -0.067 0.000 0.297 743 V C -0.036 176.052 176.094 -0.011 0.000 1.060 743 V CA -0.601 61.703 62.300 0.007 0.000 1.038 743 V CB 1.361 33.190 31.823 0.010 0.000 1.003 743 V HN 0.522 nan 8.190 nan 0.000 0.481 744 A N 7.005 129.808 122.820 -0.029 0.000 2.362 744 A HA 0.624 4.904 4.320 -0.067 0.000 0.276 744 A C -0.621 176.906 177.584 -0.094 0.000 1.153 744 A CA -0.444 51.557 52.037 -0.059 0.000 0.813 744 A CB 0.018 18.983 19.000 -0.058 0.000 1.081 744 A HN 0.748 nan 8.150 nan 0.000 0.507 745 L N 2.419 123.552 121.223 -0.150 0.000 2.371 745 L HA 0.462 4.762 4.340 -0.067 0.000 0.272 745 L C 1.487 178.179 176.870 -0.295 0.000 1.124 745 L CA 0.957 55.670 54.840 -0.211 0.000 0.816 745 L CB 1.318 43.223 42.059 -0.256 0.000 1.129 745 L HN 0.806 nan 8.230 nan 0.000 0.448 746 T N -1.863 112.555 114.554 -0.226 0.000 3.288 746 T HA 0.660 4.970 4.350 -0.067 0.000 0.293 746 T C 0.248 174.850 174.700 -0.163 0.000 1.008 746 T CA 0.068 62.047 62.100 -0.201 0.000 0.929 746 T CB -0.074 68.721 68.868 -0.122 0.000 1.152 746 T HN 0.771 nan 8.240 nan 0.000 0.517 747 G N -0.349 108.347 108.800 -0.173 0.000 2.550 747 G HA2 0.598 4.518 3.960 -0.067 0.000 0.293 747 G HA3 0.598 4.518 3.960 -0.067 0.000 0.293 747 G C 0.552 175.440 174.900 -0.020 0.000 1.402 747 G CA -0.163 44.890 45.100 -0.079 0.000 0.784 747 G HN 0.240 nan 8.290 nan 0.000 0.482 748 A N -0.675 122.147 122.820 0.004 0.000 1.930 748 A HA 0.280 4.560 4.320 -0.067 0.000 0.217 748 A C 1.219 178.745 177.584 -0.097 0.000 1.175 748 A CA 1.788 53.810 52.037 -0.026 0.000 0.627 748 A CB -0.172 18.818 19.000 -0.017 0.000 0.815 748 A HN 0.514 nan 8.150 nan 0.000 0.443 749 K N 1.035 121.396 120.400 -0.065 0.000 2.413 749 K HA 0.304 4.584 4.320 -0.067 0.000 0.257 749 K C -1.692 174.875 176.600 -0.055 0.000 0.946 749 K CA -0.576 55.670 56.287 -0.068 0.000 0.823 749 K CB 0.672 33.140 32.500 -0.053 0.000 1.109 749 K HN 0.292 nan 8.250 nan 0.000 0.427 750 N N 3.997 122.665 118.700 -0.052 0.000 2.443 750 N HA 0.119 4.819 4.740 -0.067 0.000 0.269 750 N C -1.219 174.274 175.510 -0.030 0.000 0.985 750 N CA -0.688 52.335 53.050 -0.045 0.000 0.921 750 N CB 1.727 40.184 38.487 -0.049 0.000 1.195 750 N HN 0.299 nan 8.380 nan 0.000 0.492 751 K N 2.792 123.176 120.400 -0.026 0.000 2.284 751 K HA 0.249 4.529 4.320 -0.067 0.000 0.287 751 K C -0.899 175.698 176.600 -0.006 0.000 1.081 751 K CA -0.387 55.892 56.287 -0.013 0.000 0.910 751 K CB 0.406 32.896 32.500 -0.016 0.000 1.088 751 K HN 0.276 nan 8.250 nan 0.000 0.478 752 V N 3.845 123.762 119.914 0.005 0.000 2.427 752 V HA 0.336 4.416 4.120 -0.067 0.000 0.286 752 V C 0.113 176.219 176.094 0.020 0.000 1.034 752 V CA -0.570 61.736 62.300 0.010 0.000 0.893 752 V CB 1.731 33.566 31.823 0.018 0.000 0.982 752 V HN 0.679 nan 8.190 nan 0.000 0.452 753 T N 4.317 118.877 114.554 0.011 0.000 2.840 753 T HA 0.510 4.820 4.350 -0.067 0.000 0.287 753 T C -0.485 174.216 174.700 0.001 0.000 0.991 753 T CA -0.348 61.759 62.100 0.012 0.000 0.964 753 T CB 1.527 70.396 68.868 0.001 0.000 0.954 753 T HN 0.345 nan 8.240 nan 0.000 0.438 754 V N 2.845 122.763 119.914 0.007 0.000 2.370 754 V HA 0.805 4.885 4.120 -0.067 0.000 0.283 754 V C 0.143 176.217 176.094 -0.032 0.000 1.023 754 V CA -0.838 61.446 62.300 -0.025 0.000 0.857 754 V CB 1.154 32.970 31.823 -0.011 0.000 0.985 754 V HN 1.046 nan 8.190 nan 0.000 0.443 755 A N 4.088 126.885 122.820 -0.038 0.000 2.343 755 A HA 0.930 5.210 4.320 -0.067 0.000 0.316 755 A C -0.083 177.485 177.584 -0.027 0.000 1.104 755 A CA -0.405 51.622 52.037 -0.016 0.000 0.768 755 A CB 1.427 20.426 19.000 -0.002 0.000 1.213 755 A HN 1.245 nan 8.150 nan 0.000 0.456 756 A N 1.766 124.566 122.820 -0.034 0.000 2.317 756 A HA 0.712 4.992 4.320 -0.067 0.000 0.327 756 A C -0.707 176.876 177.584 -0.003 0.000 1.178 756 A CA -0.462 51.545 52.037 -0.051 0.000 0.817 756 A CB 1.016 19.987 19.000 -0.047 0.000 1.189 756 A HN 1.188 nan 8.150 nan 0.000 0.489 757 V N 1.915 121.831 119.914 0.003 0.000 2.444 757 V HA 0.628 4.708 4.120 -0.067 0.000 0.294 757 V C 0.663 176.760 176.094 0.004 0.000 1.022 757 V CA -0.413 61.901 62.300 0.022 0.000 0.850 757 V CB 1.074 32.940 31.823 0.072 0.000 0.992 757 V HN 1.226 nan 8.190 nan 0.000 0.426 758 A N 3.595 126.417 122.820 0.003 0.000 2.272 758 A HA 0.742 5.022 4.320 -0.067 0.000 0.275 758 A C 1.566 179.149 177.584 -0.001 0.000 1.096 758 A CA 0.302 52.338 52.037 -0.001 0.000 0.822 758 A CB 0.568 19.568 19.000 0.000 0.000 1.088 758 A HN 1.369 nan 8.150 nan 0.000 0.495 759 A N 0.037 122.855 122.820 -0.004 0.000 2.070 759 A HA -0.113 4.167 4.320 -0.067 0.000 0.220 759 A C 1.329 178.909 177.584 -0.006 0.000 1.159 759 A CA 1.992 54.026 52.037 -0.005 0.000 0.656 759 A CB -0.494 18.502 19.000 -0.006 0.000 0.800 759 A HN 0.857 nan 8.150 nan 0.000 0.453 760 D N -3.036 117.360 120.400 -0.007 0.000 2.349 760 D HA 0.281 4.881 4.640 -0.067 0.000 0.214 760 D C 1.148 177.439 176.300 -0.014 0.000 1.063 760 D CA 1.013 55.007 54.000 -0.010 0.000 0.847 760 D CB -0.232 40.562 40.800 -0.010 0.000 0.933 760 D HN 0.735 nan 8.370 nan 0.000 0.513 761 G N -0.301 108.493 108.800 -0.011 0.000 2.201 761 G HA2 -0.139 3.780 3.960 -0.067 0.000 0.212 761 G HA3 -0.139 3.780 3.960 -0.067 0.000 0.212 761 G C 0.693 175.586 174.900 -0.012 0.000 0.994 761 G CA -0.062 45.030 45.100 -0.015 0.000 0.644 761 G HN 0.730 nan 8.290 nan 0.000 0.508 762 G N 0.152 108.949 108.800 -0.006 0.000 2.594 762 G HA2 0.631 4.550 3.960 -0.067 0.000 0.243 762 G HA3 0.631 4.550 3.960 -0.067 0.000 0.243 762 G C 0.387 175.291 174.900 0.006 0.000 1.229 762 G CA 1.392 46.494 45.100 0.002 0.000 0.843 762 G HN 1.519 nan 8.290 nan 0.000 0.578 763 T N -2.427 112.134 114.554 0.012 0.000 2.838 763 T HA 0.816 5.126 4.350 -0.067 0.000 0.292 763 T C -0.490 174.215 174.700 0.010 0.000 1.113 763 T CA -0.222 61.884 62.100 0.010 0.000 1.008 763 T CB 2.080 70.952 68.868 0.007 0.000 1.259 763 T HN 1.744 nan 8.240 nan 0.000 0.520 764 A N 0.189 123.013 122.820 0.007 0.000 2.549 764 A HA 0.874 5.154 4.320 -0.067 0.000 0.297 764 A C -1.171 176.418 177.584 0.009 0.000 1.061 764 A CA -0.735 51.309 52.037 0.012 0.000 0.690 764 A CB 1.906 20.917 19.000 0.019 0.000 1.287 764 A HN 1.488 nan 8.150 nan 0.000 0.402 765 V N 0.729 120.655 119.914 0.020 0.000 3.078 765 V HA 0.871 4.951 4.120 -0.067 0.000 0.311 765 V C -1.631 174.493 176.094 0.050 0.000 1.138 765 V CA -0.474 61.839 62.300 0.021 0.000 1.007 765 V CB 2.211 34.036 31.823 0.003 0.000 1.045 765 V HN 0.955 nan 8.190 nan 0.000 0.432 766 E N 2.594 122.827 120.200 0.054 0.000 2.311 766 E HA 0.426 4.736 4.350 -0.067 0.000 0.281 766 E C -1.947 174.696 176.600 0.071 0.000 0.905 766 E CA -0.523 55.921 56.400 0.074 0.000 0.778 766 E CB 2.116 31.867 29.700 0.085 0.000 1.240 766 E HN 0.748 nan 8.360 nan 0.000 0.410 767 D N 1.632 122.082 120.400 0.083 0.000 2.198 767 D HA 0.574 5.174 4.640 -0.067 0.000 0.247 767 D C -0.250 176.088 176.300 0.064 0.000 1.010 767 D CA -0.555 53.489 54.000 0.074 0.000 0.880 767 D CB 1.677 42.533 40.800 0.092 0.000 1.209 767 D HN 0.061 nan 8.370 nan 0.000 0.451 768 R N -0.193 120.337 120.500 0.049 0.000 2.668 768 R HA 0.484 4.784 4.340 -0.067 0.000 0.272 768 R C -1.156 175.159 176.300 0.026 0.000 1.019 768 R CA -0.557 55.568 56.100 0.041 0.000 0.894 768 R CB 1.972 32.299 30.300 0.045 0.000 1.228 768 R HN 0.194 nan 8.270 nan 0.000 0.460 769 T N 1.740 116.305 114.554 0.019 0.000 2.786 769 T HA 0.561 4.871 4.350 -0.067 0.000 0.283 769 T C -0.984 173.715 174.700 -0.002 0.000 0.992 769 T CA -0.543 61.560 62.100 0.004 0.000 0.954 769 T CB 1.228 70.096 68.868 -0.001 0.000 0.934 769 T HN 0.162 nan 8.240 nan 0.000 0.440 770 V N 4.861 124.767 119.914 -0.013 0.000 2.444 770 V HA 0.424 4.504 4.120 -0.067 0.000 0.294 770 V C -0.700 175.359 176.094 -0.058 0.000 1.022 770 V CA -0.982 61.306 62.300 -0.019 0.000 0.850 770 V CB 1.546 33.368 31.823 -0.001 0.000 0.992 770 V HN 0.616 nan 8.190 nan 0.000 0.426 771 L N 5.061 126.221 121.223 -0.105 0.000 2.326 771 L HA 0.460 4.760 4.340 -0.067 0.000 0.278 771 L C -0.569 176.087 176.870 -0.357 0.000 1.092 771 L CA -0.122 54.561 54.840 -0.262 0.000 0.810 771 L CB 0.535 42.409 42.059 -0.308 0.000 1.153 771 L HN 0.690 nan 8.230 nan 0.000 0.439 772 Y N 2.649 122.596 120.300 -0.589 0.000 2.376 772 Y HA 0.374 4.884 4.550 -0.067 0.000 0.340 772 Y C -0.502 174.974 175.900 -0.707 0.000 0.965 772 Y CA -0.420 57.377 58.100 -0.504 0.000 1.078 772 Y CB 1.317 39.631 38.460 -0.244 0.000 1.193 772 Y HN 0.631 nan 8.280 nan 0.000 0.452 773 Y N 3.535 123.213 120.300 -1.037 0.000 2.448 773 Y HA 0.508 5.018 4.550 -0.067 0.000 0.257 773 Y C 1.059 176.429 175.900 -0.883 0.000 1.089 773 Y CA 0.027 57.592 58.100 -0.891 0.000 1.245 773 Y CB 1.498 39.344 38.460 -1.024 0.000 1.282 773 Y HN 0.931 nan 8.280 nan 0.000 0.529 774 G N 0.035 108.128 108.800 -1.179 0.000 2.280 774 G HA2 -0.079 3.841 3.960 -0.067 0.000 0.277 774 G HA3 -0.079 3.841 3.960 -0.067 0.000 0.277 774 G C -1.184 173.701 174.900 -0.026 0.000 1.288 774 G CA -0.845 43.964 45.100 -0.485 0.000 1.075 774 G HN -0.114 nan 8.290 nan 0.000 0.480 775 S N 0.674 116.445 115.700 0.118 0.000 2.499 775 S HA 0.487 4.917 4.470 -0.067 0.000 0.275 775 S C 0.689 175.362 174.600 0.122 0.000 1.257 775 S CA -0.527 57.758 58.200 0.141 0.000 1.050 775 S CB 1.289 64.549 63.200 0.100 0.000 0.937 775 S HN 0.690 nan 8.310 nan 0.000 0.490 776 R N 3.570 124.108 120.500 0.063 0.000 2.421 776 R HA 0.080 4.380 4.340 -0.067 0.000 0.305 776 R C 0.588 176.766 176.300 -0.202 0.000 1.039 776 R CA -0.264 55.677 56.100 -0.266 0.000 1.003 776 R CB 0.031 30.153 30.300 -0.298 0.000 0.959 776 R HN 0.578 nan 8.270 nan 0.000 0.427 777 I N 2.785 123.197 120.570 -0.265 0.000 2.235 777 I HA 0.077 4.207 4.170 -0.067 0.000 0.241 777 I C 1.348 177.354 176.117 -0.185 0.000 1.085 777 I CA 1.444 62.639 61.300 -0.174 0.000 1.378 777 I CB -1.072 36.812 38.000 -0.193 0.000 1.076 777 I HN 0.784 nan 8.210 nan 0.000 0.415 778 G N -0.816 107.827 108.800 -0.261 0.000 2.441 778 G HA2 0.672 4.592 3.960 -0.067 0.000 0.294 778 G HA3 0.672 4.592 3.960 -0.067 0.000 0.294 778 G C -2.050 172.710 174.900 -0.234 0.000 1.393 778 G CA 0.155 45.135 45.100 -0.200 0.000 0.796 778 G HN 0.411 nan 8.290 nan 0.000 0.494 779 A N -0.968 121.760 122.820 -0.154 0.000 2.594 779 A HA 0.915 5.195 4.320 -0.067 0.000 0.291 779 A C -1.533 176.007 177.584 -0.073 0.000 1.105 779 A CA -0.594 51.366 52.037 -0.129 0.000 0.694 779 A CB 1.506 20.439 19.000 -0.112 0.000 1.291 779 A HN 1.068 nan 8.150 nan 0.000 0.410 780 L N 1.093 122.286 121.223 -0.050 0.000 2.422 780 L HA 0.669 4.969 4.340 -0.067 0.000 0.264 780 L C 0.164 177.026 176.870 -0.014 0.000 0.984 780 L CA -0.610 54.215 54.840 -0.025 0.000 0.819 780 L CB 2.535 44.586 42.059 -0.014 0.000 1.330 780 L HN 0.939 nan 8.230 nan 0.000 0.410 781 S N 0.148 115.842 115.700 -0.009 0.000 2.648 781 S HA 0.813 5.243 4.470 -0.067 0.000 0.305 781 S C -1.272 173.326 174.600 -0.003 0.000 1.094 781 S CA -0.724 57.474 58.200 -0.003 0.000 0.983 781 S CB 2.699 65.897 63.200 -0.003 0.000 1.101 781 S HN 0.668 nan 8.310 nan 0.000 0.514 782 D N 0.462 120.862 120.400 -0.000 0.000 2.878 782 D HA 0.468 5.068 4.640 -0.067 0.000 0.211 782 D C -2.903 173.397 176.300 0.001 0.000 1.271 782 D CA -1.049 52.949 54.000 -0.003 0.000 0.845 782 D CB 1.940 42.737 40.800 -0.004 0.000 1.679 782 D HN 0.405 nan 8.370 nan 0.000 0.536 783 P HA 0.308 nan 4.420 nan 0.000 0.271 783 P C -0.957 176.345 177.300 0.005 0.000 1.233 783 P CA -0.476 62.624 63.100 -0.000 0.000 0.789 783 P CB 0.841 32.538 31.700 -0.005 0.000 0.951 784 A N 0.074 122.898 122.820 0.006 0.000 2.269 784 A HA 0.607 4.887 4.320 -0.067 0.000 0.319 784 A C 1.066 178.655 177.584 0.008 0.000 1.110 784 A CA -0.108 51.936 52.037 0.012 0.000 0.847 784 A CB -0.295 18.712 19.000 0.011 0.000 1.161 784 A HN 0.830 nan 8.150 nan 0.000 0.497 785 G N 0.130 108.938 108.800 0.013 0.000 2.198 785 G HA2 -0.216 3.704 3.960 -0.067 0.000 0.260 785 G HA3 -0.216 3.704 3.960 -0.067 0.000 0.260 785 G C 0.202 175.106 174.900 0.007 0.000 1.025 785 G CA 0.880 45.983 45.100 0.005 0.000 0.769 785 G HN 0.839 nan 8.290 nan 0.000 0.507 786 D N 0.489 120.899 120.400 0.017 0.000 2.379 786 D HA 0.075 4.675 4.640 -0.067 0.000 0.208 786 D C 1.166 177.474 176.300 0.014 0.000 1.065 786 D CA 0.507 54.508 54.000 0.002 0.000 0.848 786 D CB -0.004 40.792 40.800 -0.007 0.000 0.949 786 D HN 0.476 nan 8.370 nan 0.000 0.509 787 D N 0.779 121.225 120.400 0.077 0.000 2.745 787 D HA -0.056 4.544 4.640 -0.067 0.000 0.229 787 D C 0.026 176.437 176.300 0.184 0.000 1.088 787 D CA -0.055 54.048 54.000 0.172 0.000 1.054 787 D CB -1.633 39.393 40.800 0.376 0.000 1.132 787 D HN 0.475 nan 8.370 nan 0.000 0.464 788 N N -0.840 117.880 118.700 0.034 0.000 2.286 788 N HA 0.242 4.942 4.740 -0.067 0.000 0.245 788 N C 0.976 176.341 175.510 -0.242 0.000 1.363 788 N CA -0.426 52.630 53.050 0.010 0.000 0.822 788 N CB 0.544 39.042 38.487 0.018 0.000 1.345 788 N HN 0.260 nan 8.380 nan 0.000 0.494 789 G N 3.026 111.602 108.800 -0.374 0.000 2.561 789 G HA2 -0.335 3.585 3.960 -0.067 0.000 0.289 789 G HA3 -0.335 3.585 3.960 -0.067 0.000 0.289 789 G C -1.764 172.839 174.900 -0.495 0.000 1.169 789 G CA 0.464 45.125 45.100 -0.732 0.000 0.980 789 G HN 0.282 nan 8.290 nan 0.000 0.550 790 P HA 0.171 nan 4.420 nan 0.000 0.242 790 P C 1.053 178.257 177.300 -0.159 0.000 1.197 790 P CA 2.182 65.148 63.100 -0.223 0.000 0.765 790 P CB -0.045 31.599 31.700 -0.093 0.000 0.936 791 G N -1.691 106.996 108.800 -0.188 0.000 2.148 791 G HA2 -0.160 3.760 3.960 -0.067 0.000 0.157 791 G HA3 -0.160 3.760 3.960 -0.067 0.000 0.157 791 G C 0.468 175.350 174.900 -0.029 0.000 1.012 791 G CA 0.231 45.279 45.100 -0.088 0.000 0.677 791 G HN 0.402 nan 8.290 nan 0.000 0.506 792 T N -0.610 113.943 114.554 -0.002 0.000 3.130 792 T HA 0.388 4.698 4.350 -0.067 0.000 0.288 792 T C 0.480 175.335 174.700 0.258 0.000 0.936 792 T CA -0.160 62.014 62.100 0.123 0.000 0.897 792 T CB 0.011 68.977 68.868 0.164 0.000 1.178 792 T HN 0.387 nan 8.240 nan 0.000 0.543 793 Y N 1.939 122.220 120.300 -0.031 0.000 2.301 793 Y HA 0.591 5.102 4.550 -0.066 0.000 0.328 793 Y C 0.801 176.650 175.900 -0.085 0.000 1.242 793 Y CA -1.219 56.827 58.100 -0.091 0.000 1.323 793 Y CB 0.817 39.201 38.460 -0.127 0.000 1.266 793 Y HN -0.146 nan 8.280 nan 0.000 0.527 794 R N 1.410 121.875 120.500 -0.058 0.000 2.628 794 R HA 0.285 4.585 4.340 -0.067 0.000 0.288 794 R C -1.600 174.763 176.300 0.106 0.000 0.980 794 R CA -1.127 54.920 56.100 -0.088 0.000 0.891 794 R CB 1.522 31.531 30.300 -0.485 0.000 1.188 794 R HN 0.495 nan 8.270 nan 0.000 0.450 795 Y N 2.625 122.990 120.300 0.108 0.000 2.511 795 Y HA 0.035 4.545 4.550 -0.067 0.000 0.347 795 Y C -1.559 174.380 175.900 0.065 0.000 1.257 795 Y CA -1.538 56.699 58.100 0.227 0.000 1.469 795 Y CB -0.028 38.597 38.460 0.276 0.000 1.353 795 Y HN 0.357 nan 8.280 nan 0.000 0.617 796 P HA 0.005 nan 4.420 nan 0.000 0.276 796 P C 0.661 177.982 177.300 0.034 0.000 1.243 796 P CA 0.105 63.151 63.100 -0.089 0.000 0.768 796 P CB 0.862 32.184 31.700 -0.630 0.000 0.856 797 T N 0.345 114.987 114.554 0.146 0.000 2.751 797 T HA -0.237 4.073 4.350 -0.067 0.000 0.268 797 T C 1.025 175.706 174.700 -0.032 0.000 1.045 797 T CA 0.794 62.932 62.100 0.064 0.000 1.142 797 T CB -0.908 67.944 68.868 -0.026 0.000 0.851 797 T HN 0.450 nan 8.240 nan 0.000 0.474 798 N N 1.656 120.245 118.700 -0.185 0.000 2.294 798 N HA -0.080 4.620 4.740 -0.067 0.000 0.248 798 N C 1.524 177.023 175.510 -0.017 0.000 1.242 798 N CA 0.827 53.739 53.050 -0.230 0.000 0.848 798 N CB 1.056 39.133 38.487 -0.683 0.000 1.084 798 N HN 0.598 nan 8.380 nan 0.000 0.457 799 S N 3.204 118.889 115.700 -0.026 0.000 2.400 799 S HA -0.179 4.251 4.470 -0.067 0.000 0.232 799 S C 1.995 176.565 174.600 -0.050 0.000 1.025 799 S CA 1.083 59.282 58.200 -0.003 0.000 0.993 799 S CB -0.485 62.719 63.200 0.008 0.000 0.808 799 S HN 0.683 nan 8.310 nan 0.000 0.478 800 A N 0.726 123.473 122.820 -0.122 0.000 1.986 800 A HA -0.036 4.244 4.320 -0.067 0.000 0.220 800 A C 0.842 178.045 177.584 -0.635 0.000 1.171 800 A CA 0.963 52.764 52.037 -0.393 0.000 0.640 800 A CB -1.030 17.648 19.000 -0.536 0.000 0.811 800 A HN 0.691 nan 8.150 nan 0.000 0.451 801 Y N 0.431 120.584 120.300 -0.244 0.000 2.636 801 Y HA 0.367 4.875 4.550 -0.070 0.000 0.334 801 Y C 0.449 176.368 175.900 0.032 0.000 1.286 801 Y CA -0.736 57.266 58.100 -0.163 0.000 1.688 801 Y CB -0.449 38.011 38.460 -0.001 0.000 1.662 801 Y HN -0.033 nan 8.280 nan 0.000 0.465 802 V N 4.922 124.846 119.914 0.017 0.000 2.901 802 V HA -0.031 4.049 4.120 -0.067 0.000 0.307 802 V C -1.629 174.528 176.094 0.104 0.000 1.084 802 V CA -1.548 60.774 62.300 0.036 0.000 1.184 802 V CB 0.237 32.046 31.823 -0.024 0.000 0.941 802 V HN 0.465 nan 8.190 nan 0.000 0.493 803 P HA 0.099 nan 4.420 nan 0.000 0.265 803 P C 0.825 178.126 177.300 0.002 0.000 1.193 803 P CA 1.159 64.213 63.100 -0.078 0.000 0.765 803 P CB 0.588 32.228 31.700 -0.099 0.000 0.823 804 G N 2.514 111.325 108.800 0.020 0.000 2.184 804 G HA2 -0.347 3.573 3.960 -0.067 0.000 0.264 804 G HA3 -0.347 3.573 3.960 -0.067 0.000 0.264 804 G C 1.122 176.118 174.900 0.161 0.000 0.975 804 G CA 0.534 45.707 45.100 0.121 0.000 0.642 804 G HN 0.721 nan 8.290 nan 0.000 0.536 805 A N -0.551 122.372 122.820 0.173 0.000 1.978 805 A HA 0.337 4.617 4.320 -0.067 0.000 0.220 805 A C 1.585 178.972 177.584 -0.328 0.000 1.170 805 A CA 1.976 53.909 52.037 -0.174 0.000 0.636 805 A CB -0.323 18.425 19.000 -0.420 0.000 0.810 805 A HN 0.800 nan 8.150 nan 0.000 0.448 806 F N -0.319 119.750 119.950 0.198 0.000 2.647 806 F HA 0.260 4.746 4.527 -0.070 0.000 0.300 806 F C 0.101 175.955 175.800 0.090 0.000 1.106 806 F CA -1.250 56.782 58.000 0.053 0.000 1.313 806 F CB 0.293 39.202 39.000 -0.152 0.000 1.007 806 F HN 0.040 nan 8.300 nan 0.000 0.536 807 D N 1.728 122.271 120.400 0.238 0.000 2.443 807 D HA 0.254 4.854 4.640 -0.067 0.000 0.221 807 D C -0.319 176.031 176.300 0.084 0.000 1.097 807 D CA -0.009 54.085 54.000 0.155 0.000 0.865 807 D CB 0.628 41.513 40.800 0.142 0.000 1.034 807 D HN 0.083 nan 8.370 nan 0.000 0.511 808 L N 2.913 124.170 121.223 0.057 0.000 2.380 808 L HA 0.241 4.541 4.340 -0.067 0.000 0.273 808 L C 1.715 178.600 176.870 0.025 0.000 1.138 808 L CA -0.089 54.770 54.840 0.033 0.000 0.832 808 L CB 1.271 43.338 42.059 0.013 0.000 1.124 808 L HN 0.511 nan 8.230 nan 0.000 0.454 809 T N -2.062 112.507 114.554 0.024 0.000 2.975 809 T HA 0.427 4.737 4.350 -0.067 0.000 0.257 809 T C 0.453 175.164 174.700 0.018 0.000 1.003 809 T CA 0.167 62.279 62.100 0.020 0.000 0.932 809 T CB 0.778 69.659 68.868 0.022 0.000 1.087 809 T HN 0.746 nan 8.240 nan 0.000 0.512 810 G N 0.084 108.896 108.800 0.020 0.000 2.387 810 G HA2 0.499 4.419 3.960 -0.067 0.000 0.294 810 G HA3 0.499 4.419 3.960 -0.067 0.000 0.294 810 G C -2.271 172.643 174.900 0.023 0.000 1.509 810 G CA -0.551 44.560 45.100 0.019 0.000 0.806 810 G HN 0.294 nan 8.290 nan 0.000 0.546 811 V N 1.068 120.991 119.914 0.014 0.000 2.524 811 V HA 0.511 4.591 4.120 -0.067 0.000 0.297 811 V C -1.292 174.784 176.094 -0.029 0.000 1.035 811 V CA -0.691 61.619 62.300 0.016 0.000 0.867 811 V CB 1.836 33.677 31.823 0.030 0.000 1.004 811 V HN 0.755 nan 8.190 nan 0.000 0.426 812 D N 2.887 123.269 120.400 -0.031 0.000 2.498 812 D HA 0.682 5.282 4.640 -0.067 0.000 0.247 812 D C -0.737 175.395 176.300 -0.281 0.000 1.070 812 D CA -0.205 53.698 54.000 -0.161 0.000 0.842 812 D CB 2.502 43.279 40.800 -0.038 0.000 1.361 812 D HN 0.311 nan 8.370 nan 0.000 0.484 813 V N 2.646 122.229 119.914 -0.552 0.000 2.513 813 V HA 0.519 4.599 4.120 -0.067 0.000 0.299 813 V C -0.990 174.716 176.094 -0.646 0.000 1.035 813 V CA -0.673 61.251 62.300 -0.626 0.000 0.889 813 V CB 0.785 32.115 31.823 -0.822 0.000 0.988 813 V HN 0.462 nan 8.190 nan 0.000 0.440 814 Y N 0.922 121.090 120.300 -0.220 0.000 2.512 814 Y HA 0.484 4.994 4.550 -0.067 0.000 0.348 814 Y C -0.109 175.793 175.900 0.004 0.000 0.990 814 Y CA -1.364 56.682 58.100 -0.089 0.000 1.033 814 Y CB 1.449 39.868 38.460 -0.068 0.000 1.259 814 Y HN 0.612 nan 8.280 nan 0.000 0.461 815 D N 1.919 122.424 120.400 0.175 0.000 2.365 815 D HA 0.398 4.998 4.640 -0.067 0.000 0.237 815 D C -0.424 175.917 176.300 0.069 0.000 1.190 815 D CA -0.015 54.065 54.000 0.135 0.000 0.867 815 D CB 0.970 41.837 40.800 0.111 0.000 1.050 815 D HN 0.666 nan 8.370 nan 0.000 0.491 816 A N 3.315 126.152 122.820 0.027 0.000 3.159 816 A HA 0.631 4.911 4.320 -0.067 0.000 0.301 816 A C 1.256 178.838 177.584 -0.003 0.000 1.271 816 A CA 0.266 52.312 52.037 0.014 0.000 0.998 816 A CB -0.429 18.587 19.000 0.026 0.000 1.101 816 A HN 0.850 nan 8.150 nan 0.000 0.610 817 G N 0.666 109.457 108.800 -0.015 0.000 3.031 817 G HA2 -0.313 3.607 3.960 -0.067 0.000 0.289 817 G HA3 -0.313 3.607 3.960 -0.067 0.000 0.289 817 G C 0.573 175.428 174.900 -0.076 0.000 1.393 817 G CA 0.466 45.553 45.100 -0.022 0.000 1.010 817 G HN 0.388 nan 8.290 nan 0.000 0.579 818 D N 2.504 122.865 120.400 -0.066 0.000 2.339 818 D HA 0.305 4.905 4.640 -0.067 0.000 0.217 818 D C 0.095 176.319 176.300 -0.126 0.000 1.050 818 D CA 0.878 54.827 54.000 -0.086 0.000 0.856 818 D CB 0.348 41.123 40.800 -0.042 0.000 0.922 818 D HN 0.458 nan 8.370 nan 0.000 0.518 819 D N -1.179 119.142 120.400 -0.131 0.000 2.523 819 D HA 0.283 4.883 4.640 -0.067 0.000 0.236 819 D C -0.912 175.299 176.300 -0.149 0.000 1.094 819 D CA -0.536 53.399 54.000 -0.108 0.000 0.942 819 D CB 1.429 42.231 40.800 0.005 0.000 1.447 819 D HN -0.117 nan 8.370 nan 0.000 0.479 820 Y N 0.210 120.587 120.300 0.128 0.000 2.331 820 Y HA 0.557 5.067 4.550 -0.067 0.000 0.338 820 Y C 0.053 176.056 175.900 0.172 0.000 0.992 820 Y CA -1.191 56.993 58.100 0.139 0.000 1.121 820 Y CB 1.850 40.479 38.460 0.282 0.000 1.184 820 Y HN 0.374 nan 8.280 nan 0.000 0.469 821 A N 5.070 128.023 122.820 0.223 0.000 2.366 821 A HA 0.484 4.764 4.320 -0.067 0.000 0.322 821 A C -1.299 176.334 177.584 0.081 0.000 1.397 821 A CA -0.384 51.733 52.037 0.132 0.000 0.984 821 A CB -0.631 18.373 19.000 0.007 0.000 1.149 821 A HN 0.629 nan 8.150 nan 0.000 0.540 822 F N 2.621 122.588 119.950 0.028 0.000 2.375 822 F HA 0.350 4.838 4.527 -0.066 0.000 0.362 822 F C 0.230 176.002 175.800 -0.048 0.000 1.129 822 F CA -0.176 57.827 58.000 0.004 0.000 1.154 822 F CB 1.475 40.471 39.000 -0.007 0.000 1.205 822 F HN 0.252 nan 8.300 nan 0.000 0.513 823 V N 4.163 124.110 119.914 0.054 0.000 2.350 823 V HA 0.667 4.747 4.120 -0.067 0.000 0.276 823 V C 0.211 176.324 176.094 0.031 0.000 1.028 823 V CA -0.841 61.439 62.300 -0.033 0.000 0.860 823 V CB 0.982 32.722 31.823 -0.137 0.000 0.990 823 V HN 0.795 nan 8.190 nan 0.000 0.453 824 A N 3.967 126.803 122.820 0.026 0.000 2.312 824 A HA 0.817 5.097 4.320 -0.067 0.000 0.326 824 A C 0.132 177.732 177.584 0.027 0.000 1.172 824 A CA -0.385 51.673 52.037 0.036 0.000 0.821 824 A CB 0.925 19.947 19.000 0.038 0.000 1.166 824 A HN 0.696 nan 8.150 nan 0.000 0.493 825 T N 2.675 117.248 114.554 0.032 0.000 2.824 825 T HA 0.594 4.904 4.350 -0.067 0.000 0.282 825 T C -0.114 174.603 174.700 0.029 0.000 0.993 825 T CA -0.086 62.033 62.100 0.032 0.000 0.967 825 T CB 0.692 69.585 68.868 0.041 0.000 0.960 825 T HN 0.684 nan 8.240 nan 0.000 0.441 826 I N -0.374 120.211 120.570 0.025 0.000 2.846 826 I HA 0.843 4.973 4.170 -0.067 0.000 0.307 826 I C 1.069 177.200 176.117 0.024 0.000 1.053 826 I CA -1.376 59.940 61.300 0.028 0.000 1.050 826 I CB 1.689 39.703 38.000 0.023 0.000 1.239 826 I HN 0.601 nan 8.210 nan 0.000 0.439 827 A N 3.223 126.061 122.820 0.031 0.000 1.968 827 A HA 0.303 4.583 4.320 -0.067 0.000 0.217 827 A C 1.343 178.936 177.584 0.016 0.000 1.169 827 A CA 1.098 53.149 52.037 0.024 0.000 0.638 827 A CB -1.019 17.998 19.000 0.027 0.000 0.812 827 A HN 0.962 nan 8.150 nan 0.000 0.446 828 G N -0.740 108.072 108.800 0.020 0.000 2.563 828 G HA2 0.412 4.332 3.960 -0.067 0.000 0.283 828 G HA3 0.412 4.332 3.960 -0.067 0.000 0.283 828 G C -0.333 174.560 174.900 -0.011 0.000 1.309 828 G CA -0.343 44.760 45.100 0.006 0.000 1.022 828 G HN 0.421 nan 8.290 nan 0.000 0.501 829 E N -0.972 119.214 120.200 -0.023 0.000 2.313 829 E HA 0.286 4.596 4.350 -0.067 0.000 0.276 829 E C -0.429 176.139 176.600 -0.054 0.000 1.031 829 E CA -0.573 55.807 56.400 -0.034 0.000 0.857 829 E CB 1.087 30.765 29.700 -0.037 0.000 1.040 829 E HN 0.063 nan 8.360 nan 0.000 0.408 830 V N 5.446 125.329 119.914 -0.052 0.000 2.381 830 V HA 0.083 4.163 4.120 -0.067 0.000 0.257 830 V C 0.119 176.155 176.094 -0.097 0.000 1.057 830 V CA 0.131 62.388 62.300 -0.071 0.000 1.013 830 V CB 0.439 32.231 31.823 -0.051 0.000 1.069 830 V HN 0.690 nan 8.190 nan 0.000 0.484 831 T N 4.279 118.750 114.554 -0.140 0.000 2.945 831 T HA 0.386 4.696 4.350 -0.067 0.000 0.286 831 T C 0.247 174.778 174.700 -0.281 0.000 1.025 831 T CA -0.606 61.384 62.100 -0.183 0.000 1.039 831 T CB 1.257 70.016 68.868 -0.181 0.000 1.068 831 T HN 0.705 nan 8.240 nan 0.000 0.497 832 N N 1.587 120.126 118.700 -0.267 0.000 2.697 832 N HA 0.186 4.886 4.740 -0.067 0.000 0.253 832 N C -1.969 173.404 175.510 -0.228 0.000 1.604 832 N CA -1.345 51.533 53.050 -0.287 0.000 0.772 832 N CB 1.157 39.543 38.487 -0.168 0.000 1.267 832 N HN 0.346 nan 8.380 nan 0.000 0.510 833 P HA -0.034 nan 4.420 nan 0.000 0.217 833 P C 0.684 178.109 177.300 0.208 0.000 1.153 833 P CA 0.649 63.658 63.100 -0.152 0.000 0.843 833 P CB -0.041 31.416 31.700 -0.405 0.000 0.794 834 W N 0.805 122.077 121.300 -0.048 0.000 3.109 834 W HA 0.210 4.854 4.660 -0.027 0.000 0.242 834 W C 0.868 177.362 176.519 -0.043 0.000 1.318 834 W CA -0.069 57.265 57.345 -0.018 0.000 1.491 834 W CB -0.631 28.824 29.460 -0.008 0.000 1.120 834 W HN 0.086 nan 8.180 nan 0.000 0.715 835 G N 1.563 110.458 108.800 0.159 0.000 2.350 835 G HA2 -0.158 3.762 3.960 -0.067 0.000 0.298 835 G HA3 -0.158 3.762 3.960 -0.067 0.000 0.298 835 G C 0.262 175.183 174.900 0.036 0.000 1.037 835 G CA -0.108 45.037 45.100 0.075 0.000 1.074 835 G HN 0.472 nan 8.290 nan 0.000 0.511 836 G N -1.479 107.313 108.800 -0.013 0.000 2.642 836 G HA2 0.602 4.522 3.960 -0.067 0.000 0.291 836 G HA3 0.602 4.522 3.960 -0.067 0.000 0.291 836 G C 0.053 174.928 174.900 -0.042 0.000 1.345 836 G CA -0.202 44.870 45.100 -0.046 0.000 1.043 836 G HN 0.585 nan 8.290 nan 0.000 0.528 837 Q N -0.106 119.670 119.800 -0.041 0.000 2.402 837 Q HA 0.404 4.704 4.340 -0.067 0.000 0.238 837 Q C 0.983 176.960 176.000 -0.038 0.000 1.126 837 Q CA 0.685 56.472 55.803 -0.026 0.000 0.904 837 Q CB 0.017 28.749 28.738 -0.010 0.000 1.357 837 Q HN 1.137 nan 8.270 nan 0.000 0.491 838 A N 3.097 125.892 122.820 -0.042 0.000 1.699 838 A HA -0.265 4.015 4.320 -0.067 0.000 0.227 838 A C 0.297 177.831 177.584 -0.084 0.000 0.493 838 A CA 1.561 53.568 52.037 -0.050 0.000 1.113 838 A CB -1.953 17.027 19.000 -0.033 0.000 1.450 838 A HN 0.844 nan 8.150 nan 0.000 0.714 839 I N -4.255 116.256 120.570 -0.099 0.000 3.206 839 I HA 0.907 5.037 4.170 -0.067 0.000 0.313 839 I C 0.558 176.550 176.117 -0.209 0.000 1.103 839 I CA 0.048 61.253 61.300 -0.158 0.000 0.985 839 I CB 1.392 39.324 38.000 -0.114 0.000 1.240 839 I HN 0.304 nan 8.210 nan 0.000 0.464 840 S N -0.237 115.247 115.700 -0.361 0.000 3.056 840 S HA 0.197 4.627 4.470 -0.067 0.000 0.255 840 S C 1.349 175.808 174.600 -0.235 0.000 1.079 840 S CA 0.242 58.201 58.200 -0.401 0.000 0.810 840 S CB -0.029 62.713 63.200 -0.763 0.000 0.810 840 S HN 0.856 nan 8.310 nan 0.000 0.477 841 H N 0.819 119.858 119.070 -0.052 0.000 2.520 841 H HA 0.307 4.820 4.556 -0.070 0.000 0.279 841 H C 0.161 175.716 175.328 0.378 0.000 0.990 841 H CA 0.183 56.331 56.048 0.168 0.000 1.288 841 H CB 0.213 29.981 29.762 0.010 0.000 1.446 841 H HN 0.195 nan 8.280 nan 0.000 0.538 842 Q N 1.278 121.245 119.800 0.279 0.000 2.293 842 Q HA 0.301 4.601 4.340 -0.067 0.000 0.251 842 Q C -0.151 175.995 176.000 0.243 0.000 0.930 842 Q CA -0.148 55.850 55.803 0.324 0.000 0.893 842 Q CB 1.552 30.385 28.738 0.159 0.000 1.215 842 Q HN 0.217 nan 8.270 nan 0.000 0.425 843 R N 1.863 122.527 120.500 0.274 0.000 2.721 843 R HA 0.383 4.683 4.340 -0.067 0.000 0.272 843 R C -1.620 174.824 176.300 0.240 0.000 1.721 843 R CA -0.350 55.881 56.100 0.220 0.000 1.325 843 R CB 0.844 31.286 30.300 0.236 0.000 1.271 843 R HN 0.541 nan 8.270 nan 0.000 0.556 844 V N 3.167 123.166 119.914 0.141 0.000 2.644 844 V HA 0.485 4.565 4.120 -0.067 0.000 0.295 844 V C -0.693 175.439 176.094 0.064 0.000 1.053 844 V CA -0.284 62.066 62.300 0.084 0.000 0.987 844 V CB 1.605 33.449 31.823 0.035 0.000 1.006 844 V HN 0.802 nan 8.190 nan 0.000 0.472 845 N N 5.068 123.801 118.700 0.055 0.000 2.314 845 N HA 0.611 5.311 4.740 -0.067 0.000 0.304 845 N C -1.278 174.121 175.510 -0.184 0.000 1.073 845 N CA -0.689 52.300 53.050 -0.103 0.000 0.822 845 N CB 2.011 40.494 38.487 -0.006 0.000 1.280 845 N HN 0.615 nan 8.380 nan 0.000 0.489 846 I N 3.171 123.528 120.570 -0.355 0.000 2.521 846 I HA 0.200 4.330 4.170 -0.067 0.000 0.277 846 I C -1.145 174.753 176.117 -0.365 0.000 1.054 846 I CA -0.560 60.597 61.300 -0.237 0.000 1.117 846 I CB 0.667 38.572 38.000 -0.159 0.000 1.217 846 I HN 0.432 nan 8.210 nan 0.000 0.469 847 Y N 6.319 126.499 120.300 -0.200 0.000 2.436 847 Y HA 0.384 4.894 4.550 -0.067 0.000 0.343 847 Y C 0.127 176.009 175.900 -0.030 0.000 1.008 847 Y CA -0.257 57.682 58.100 -0.268 0.000 1.241 847 Y CB 0.585 38.757 38.460 -0.481 0.000 1.153 847 Y HN 0.349 nan 8.280 nan 0.000 0.521 848 L N 3.851 125.180 121.223 0.177 0.000 2.307 848 L HA 0.836 5.136 4.340 -0.067 0.000 0.284 848 L C 0.606 177.631 176.870 0.259 0.000 1.023 848 L CA -0.296 54.653 54.840 0.182 0.000 0.810 848 L CB 1.434 43.557 42.059 0.107 0.000 1.231 848 L HN 0.833 nan 8.230 nan 0.000 0.423 849 G N 1.565 110.483 108.800 0.198 0.000 2.753 849 G HA2 0.438 4.358 3.960 -0.067 0.000 0.303 849 G HA3 0.438 4.358 3.960 -0.067 0.000 0.303 849 G C -0.553 174.403 174.900 0.094 0.000 1.242 849 G CA -0.451 44.754 45.100 0.175 0.000 0.810 849 G HN 0.483 nan 8.290 nan 0.000 0.515 850 K N -0.444 119.991 120.400 0.058 0.000 2.536 850 K HA 0.376 4.656 4.320 -0.067 0.000 0.203 850 K C 0.823 177.383 176.600 -0.066 0.000 1.063 850 K CA 0.231 56.520 56.287 0.004 0.000 1.063 850 K CB 1.548 34.049 32.500 0.001 0.000 0.843 850 K HN 1.346 nan 8.250 nan 0.000 0.521 851 G N 2.358 111.104 108.800 -0.092 0.000 2.225 851 G HA2 -0.271 3.649 3.960 -0.067 0.000 0.264 851 G HA3 -0.271 3.649 3.960 -0.067 0.000 0.264 851 G C -0.498 174.098 174.900 -0.507 0.000 1.060 851 G CA 0.165 45.012 45.100 -0.422 0.000 0.833 851 G HN 0.377 nan 8.290 nan 0.000 0.498 852 E N -0.577 119.547 120.200 -0.127 0.000 2.222 852 E HA 0.610 4.920 4.350 -0.067 0.000 0.272 852 E C 1.059 177.736 176.600 0.128 0.000 0.982 852 E CA -0.155 56.232 56.400 -0.022 0.000 0.842 852 E CB 1.423 31.122 29.700 -0.002 0.000 1.144 852 E HN 1.357 nan 8.360 nan 0.000 0.397 853 G N 0.838 109.714 108.800 0.126 0.000 2.601 853 G HA2 -0.142 3.778 3.960 -0.067 0.000 0.252 853 G HA3 -0.142 3.778 3.960 -0.067 0.000 0.252 853 G C 0.252 175.275 174.900 0.207 0.000 1.294 853 G CA -0.465 44.713 45.100 0.131 0.000 0.912 853 G HN 0.826 nan 8.290 nan 0.000 0.574 854 G N -1.395 107.456 108.800 0.086 0.000 3.257 854 G HA2 0.809 4.729 3.960 -0.067 0.000 0.205 854 G HA3 0.809 4.729 3.960 -0.067 0.000 0.205 854 G C 0.612 175.487 174.900 -0.041 0.000 1.234 854 G CA 0.703 45.799 45.100 -0.007 0.000 0.918 854 G HN 2.309 nan 8.290 nan 0.000 0.602 855 A N -0.358 122.426 122.820 -0.061 0.000 2.591 855 A HA 0.453 4.733 4.320 -0.067 0.000 0.244 855 A C 0.202 177.784 177.584 -0.005 0.000 1.031 855 A CA 0.996 53.006 52.037 -0.044 0.000 0.767 855 A CB -0.647 18.332 19.000 -0.035 0.000 0.942 855 A HN 0.697 nan 8.150 nan 0.000 0.514 856 T N 6.103 120.668 114.554 0.018 0.000 2.937 856 T HA 0.533 4.843 4.350 -0.067 0.000 0.297 856 T C -2.815 171.939 174.700 0.090 0.000 0.991 856 T CA -0.738 61.402 62.100 0.067 0.000 0.990 856 T CB 1.839 70.783 68.868 0.127 0.000 0.991 856 T HN 0.587 nan 8.240 nan 0.000 0.440 857 P HA 0.164 nan 4.420 nan 0.000 0.266 857 P C 0.441 177.827 177.300 0.144 0.000 1.195 857 P CA 0.091 63.236 63.100 0.075 0.000 0.768 857 P CB 0.621 32.361 31.700 0.066 0.000 0.838 858 G N 2.360 111.150 108.800 -0.016 0.000 2.510 858 G HA2 0.385 4.305 3.960 -0.067 0.000 0.280 858 G HA3 0.385 4.305 3.960 -0.067 0.000 0.280 858 G C 0.048 175.040 174.900 0.154 0.000 1.386 858 G CA -0.961 44.069 45.100 -0.116 0.000 1.047 858 G HN 0.443 nan 8.290 nan 0.000 0.527 859 L N 1.809 123.150 121.223 0.197 0.000 2.483 859 L HA 0.071 4.371 4.340 -0.067 0.000 0.277 859 L C -0.559 176.302 176.870 -0.015 0.000 1.248 859 L CA -1.137 53.760 54.840 0.095 0.000 0.825 859 L CB 0.383 42.412 42.059 -0.050 0.000 1.096 859 L HN 0.412 nan 8.230 nan 0.000 0.512 860 P HA -0.233 nan 4.420 nan 0.000 0.212 860 P C 1.128 178.365 177.300 -0.105 0.000 0.886 860 P CA 1.795 64.863 63.100 -0.053 0.000 1.017 860 P CB -0.206 31.464 31.700 -0.050 0.000 0.686 861 G N -1.817 106.903 108.800 -0.134 0.000 2.601 861 G HA2 -0.196 3.724 3.960 -0.067 0.000 0.214 861 G HA3 -0.196 3.724 3.960 -0.067 0.000 0.214 861 G C 1.444 176.197 174.900 -0.246 0.000 1.132 861 G CA 1.125 46.130 45.100 -0.157 0.000 0.761 861 G HN 0.315 nan 8.290 nan 0.000 0.550 862 T N 0.659 115.024 114.554 -0.316 0.000 2.777 862 T HA -0.080 4.230 4.350 -0.067 0.000 0.266 862 T C 1.345 175.961 174.700 -0.138 0.000 1.040 862 T CA 1.040 62.882 62.100 -0.430 0.000 1.141 862 T CB -0.322 68.327 68.868 -0.365 0.000 0.868 862 T HN 0.701 nan 8.240 nan 0.000 0.444 863 N N 0.997 119.642 118.700 -0.092 0.000 2.780 863 N HA -0.141 4.559 4.740 -0.067 0.000 0.248 863 N C -0.484 175.021 175.510 -0.009 0.000 1.102 863 N CA 0.394 53.411 53.050 -0.054 0.000 0.697 863 N CB -1.424 37.013 38.487 -0.083 0.000 1.028 863 N HN 0.629 nan 8.380 nan 0.000 0.554 864 I N -4.049 116.522 120.570 0.001 0.000 3.102 864 I HA 0.614 4.744 4.170 -0.067 0.000 0.310 864 I C -1.276 174.817 176.117 -0.040 0.000 1.246 864 I CA -0.898 60.406 61.300 0.007 0.000 0.979 864 I CB 2.180 40.214 38.000 0.056 0.000 1.267 864 I HN -0.229 nan 8.210 nan 0.000 0.451 865 N N 3.098 121.768 118.700 -0.050 0.000 2.362 865 N HA 0.646 5.346 4.740 -0.067 0.000 0.299 865 N C -1.237 174.203 175.510 -0.117 0.000 1.170 865 N CA -0.482 52.526 53.050 -0.069 0.000 0.825 865 N CB 1.976 40.443 38.487 -0.033 0.000 1.299 865 N HN 0.433 nan 8.380 nan 0.000 0.502 866 L N 0.971 122.116 121.223 -0.131 0.000 2.334 866 L HA 0.382 4.682 4.340 -0.067 0.000 0.270 866 L C 1.863 178.687 176.870 -0.077 0.000 1.018 866 L CA -0.285 54.474 54.840 -0.136 0.000 0.811 866 L CB 0.982 42.922 42.059 -0.198 0.000 1.271 866 L HN 0.702 nan 8.230 nan 0.000 0.443 867 E N 0.203 120.348 120.200 -0.093 0.000 2.097 867 E HA -0.171 4.139 4.350 -0.067 0.000 0.196 867 E C -0.390 175.941 176.600 -0.449 0.000 1.000 867 E CA 1.568 57.821 56.400 -0.245 0.000 0.804 867 E CB 0.267 29.842 29.700 -0.209 0.000 0.740 867 E HN 0.632 nan 8.360 nan 0.000 0.454 868 H N -2.537 116.568 119.070 0.058 0.000 2.941 868 H HA 0.526 5.042 4.556 -0.067 0.000 0.344 868 H C -0.727 174.677 175.328 0.126 0.000 1.235 868 H CA -0.457 55.633 56.048 0.070 0.000 1.149 868 H CB 1.441 31.240 29.762 0.061 0.000 1.885 868 H HN 0.115 nan 8.280 nan 0.000 0.558 869 A N 1.171 124.133 122.820 0.236 0.000 2.429 869 A HA 0.292 4.572 4.320 -0.067 0.000 0.242 869 A C -0.705 177.035 177.584 0.261 0.000 1.088 869 A CA -0.168 51.958 52.037 0.147 0.000 0.784 869 A CB 0.024 19.037 19.000 0.021 0.000 1.038 869 A HN 0.622 nan 8.150 nan 0.000 0.501 870 W N 0.068 121.423 121.300 0.092 0.000 3.032 870 W HA 0.495 5.115 4.660 -0.067 0.000 0.335 870 W C -1.342 175.237 176.519 0.101 0.000 1.154 870 W CA -0.905 56.512 57.345 0.120 0.000 1.204 870 W CB 0.824 30.409 29.460 0.209 0.000 1.416 870 W HN 0.624 nan 8.180 nan 0.000 0.521 871 D N 1.429 121.984 120.400 0.259 0.000 2.301 871 D HA 0.006 4.606 4.640 -0.067 0.000 0.206 871 D C 0.582 177.025 176.300 0.238 0.000 0.979 871 D CA 1.191 55.259 54.000 0.114 0.000 0.874 871 D CB 0.703 41.562 40.800 0.098 0.000 0.968 871 D HN 0.368 nan 8.370 nan 0.000 0.510 872 S N -1.132 114.882 115.700 0.523 0.000 2.578 872 S HA 0.482 4.912 4.470 -0.067 0.000 0.272 872 S C -1.243 173.592 174.600 0.393 0.000 1.145 872 S CA -0.991 57.524 58.200 0.524 0.000 0.835 872 S CB 2.424 65.758 63.200 0.223 0.000 1.104 872 S HN -0.094 nan 8.310 nan 0.000 0.458 873 V N 1.621 121.618 119.914 0.138 0.000 2.735 873 V HA 0.676 4.756 4.120 -0.067 0.000 0.310 873 V C -1.381 174.601 176.094 -0.188 0.000 1.061 873 V CA -1.166 60.938 62.300 -0.327 0.000 0.913 873 V CB 1.541 32.822 31.823 -0.904 0.000 1.005 873 V HN 0.937 nan 8.190 nan 0.000 0.428 874 I N 6.407 126.801 120.570 -0.294 0.000 2.312 874 I HA 0.408 4.537 4.170 -0.067 0.000 0.290 874 I C -0.564 175.448 176.117 -0.177 0.000 1.008 874 I CA -0.677 60.484 61.300 -0.233 0.000 1.226 874 I CB 1.712 39.460 38.000 -0.420 0.000 1.371 874 I HN 0.293 nan 8.210 nan 0.000 0.468 875 V N 5.358 125.254 119.914 -0.030 0.000 2.333 875 V HA 0.227 4.307 4.120 -0.067 0.000 0.274 875 V C 0.288 176.395 176.094 0.021 0.000 1.028 875 V CA -0.408 61.885 62.300 -0.011 0.000 0.851 875 V CB 1.207 33.049 31.823 0.032 0.000 1.000 875 V HN 0.693 nan 8.190 nan 0.000 0.456 876 T N 4.250 118.807 114.554 0.005 0.000 3.016 876 T HA 0.292 4.602 4.350 -0.067 0.000 0.335 876 T C -0.503 174.222 174.700 0.042 0.000 1.176 876 T CA -0.096 62.016 62.100 0.019 0.000 0.987 876 T CB -0.135 68.739 68.868 0.011 0.000 1.073 876 T HN 0.693 nan 8.240 nan 0.000 0.547 877 D N 1.815 122.240 120.400 0.042 0.000 2.686 877 D HA 0.337 4.937 4.640 -0.067 0.000 0.249 877 D C 0.853 177.157 176.300 0.007 0.000 1.260 877 D CA -0.537 53.486 54.000 0.039 0.000 0.910 877 D CB 1.706 42.539 40.800 0.056 0.000 1.323 877 D HN 0.513 nan 8.370 nan 0.000 0.561 878 G N 2.846 111.628 108.800 -0.029 0.000 2.985 878 G HA2 -0.006 3.914 3.960 -0.067 0.000 0.209 878 G HA3 -0.006 3.914 3.960 -0.067 0.000 0.209 878 G C 0.827 175.664 174.900 -0.104 0.000 1.165 878 G CA -0.047 45.023 45.100 -0.051 0.000 0.776 878 G HN 0.245 nan 8.290 nan 0.000 0.541 879 R N -0.523 119.864 120.500 -0.188 0.000 2.474 879 R HA 0.498 4.798 4.340 -0.067 0.000 0.295 879 R C 0.155 176.236 176.300 -0.365 0.000 0.980 879 R CA -0.967 54.843 56.100 -0.484 0.000 0.934 879 R CB -0.097 29.711 30.300 -0.820 0.000 1.101 879 R HN 0.222 nan 8.270 nan 0.000 0.469 880 F N 1.476 121.468 119.950 0.071 0.000 3.069 880 F HA -0.368 4.114 4.527 -0.075 0.000 0.285 880 F C 0.494 176.328 175.800 0.057 0.000 0.827 880 F CA 0.838 58.872 58.000 0.057 0.000 1.108 880 F CB -1.475 37.557 39.000 0.054 0.000 1.252 880 F HN 0.783 nan 8.300 nan 0.000 0.483 881 D N 0.364 120.862 120.400 0.162 0.000 2.723 881 D HA -0.157 4.442 4.640 -0.067 0.000 0.236 881 D C 0.904 177.301 176.300 0.161 0.000 1.138 881 D CA 1.169 55.246 54.000 0.129 0.000 0.676 881 D CB -1.017 39.854 40.800 0.119 0.000 1.069 881 D HN 0.669 nan 8.370 nan 0.000 0.430 882 G N -0.804 108.094 108.800 0.163 0.000 3.523 882 G HA2 0.510 4.430 3.960 -0.067 0.000 0.270 882 G HA3 0.510 4.430 3.960 -0.067 0.000 0.270 882 G C 0.415 175.435 174.900 0.201 0.000 1.134 882 G CA 0.275 45.488 45.100 0.188 0.000 0.825 882 G HN 0.621 nan 8.290 nan 0.000 0.534 883 A N -0.381 122.541 122.820 0.169 0.000 2.312 883 A HA 0.970 5.250 4.320 -0.067 0.000 0.328 883 A C 0.514 178.179 177.584 0.135 0.000 1.158 883 A CA 0.106 52.231 52.037 0.148 0.000 0.821 883 A CB 1.353 20.394 19.000 0.067 0.000 1.170 883 A HN 1.442 nan 8.150 nan 0.000 0.490 884 G N -1.330 107.536 108.800 0.110 0.000 2.356 884 G HA2 0.469 4.389 3.960 -0.067 0.000 0.288 884 G HA3 0.469 4.389 3.960 -0.067 0.000 0.288 884 G C -1.404 173.429 174.900 -0.110 0.000 1.302 884 G CA 0.066 45.117 45.100 -0.082 0.000 0.887 884 G HN 1.902 nan 8.290 nan 0.000 0.521 885 V N 0.525 120.281 119.914 -0.262 0.000 2.398 885 V HA 0.820 4.900 4.120 -0.067 0.000 0.286 885 V C -1.045 174.890 176.094 -0.265 0.000 1.026 885 V CA -0.759 61.453 62.300 -0.146 0.000 0.868 885 V CB 0.565 32.331 31.823 -0.095 0.000 0.982 885 V HN 0.710 nan 8.190 nan 0.000 0.443 886 Y N 4.441 124.759 120.300 0.031 0.000 2.549 886 Y HA 0.802 5.311 4.550 -0.067 0.000 0.339 886 Y C 0.612 176.638 175.900 0.209 0.000 1.053 886 Y CA -0.355 57.803 58.100 0.097 0.000 1.105 886 Y CB 1.995 40.510 38.460 0.092 0.000 1.258 886 Y HN 0.808 nan 8.280 nan 0.000 0.478 887 A N 2.446 125.457 122.820 0.319 0.000 2.264 887 A HA 0.414 4.694 4.320 -0.067 0.000 0.304 887 A C -1.741 175.969 177.584 0.209 0.000 1.100 887 A CA -1.759 50.407 52.037 0.215 0.000 0.839 887 A CB 0.080 19.131 19.000 0.086 0.000 1.121 887 A HN 0.610 nan 8.150 nan 0.000 0.496 888 P HA -0.177 nan 4.420 nan 0.000 0.224 888 P C 0.176 177.470 177.300 -0.011 0.000 1.142 888 P CA 1.575 64.455 63.100 -0.366 0.000 0.778 888 P CB -0.044 31.186 31.700 -0.783 0.000 0.764 889 D N -1.711 118.707 120.400 0.029 0.000 2.358 889 D HA 0.122 4.722 4.640 -0.067 0.000 0.224 889 D C 1.419 177.780 176.300 0.102 0.000 1.123 889 D CA 0.152 54.182 54.000 0.050 0.000 0.833 889 D CB -0.672 40.141 40.800 0.021 0.000 0.946 889 D HN 0.226 nan 8.370 nan 0.000 0.505 890 G N 0.010 108.913 108.800 0.172 0.000 2.234 890 G HA2 -0.289 3.631 3.960 -0.067 0.000 0.260 890 G HA3 -0.289 3.631 3.960 -0.067 0.000 0.260 890 G C 0.526 175.604 174.900 0.297 0.000 0.987 890 G CA 0.428 45.639 45.100 0.184 0.000 0.625 890 G HN 0.472 nan 8.290 nan 0.000 0.532 891 T N 1.096 115.787 114.554 0.229 0.000 2.916 891 T HA 0.399 4.708 4.350 -0.067 0.000 0.303 891 T C 0.619 175.425 174.700 0.177 0.000 1.025 891 T CA 0.204 62.413 62.100 0.182 0.000 1.142 891 T CB 1.317 70.238 68.868 0.088 0.000 0.947 891 T HN 0.524 nan 8.240 nan 0.000 0.544 892 R N 2.096 122.597 120.500 0.003 0.000 2.202 892 R HA 0.216 4.516 4.340 -0.067 0.000 0.334 892 R C 1.430 177.591 176.300 -0.233 0.000 1.036 892 R CA -0.238 55.589 56.100 -0.456 0.000 0.878 892 R CB 0.279 30.237 30.300 -0.571 0.000 1.067 892 R HN 0.846 nan 8.270 nan 0.000 0.457 893 T N -0.498 113.933 114.554 -0.205 0.000 3.081 893 T HA 0.095 4.405 4.350 -0.067 0.000 0.255 893 T C 0.556 175.195 174.700 -0.102 0.000 1.113 893 T CA 0.072 62.113 62.100 -0.099 0.000 1.082 893 T CB 0.214 69.058 68.868 -0.040 0.000 0.939 893 T HN 0.337 nan 8.240 nan 0.000 0.506 894 S N -0.551 115.051 115.700 -0.163 0.000 2.565 894 S HA 0.642 5.072 4.470 -0.067 0.000 0.274 894 S C -1.402 173.113 174.600 -0.141 0.000 1.144 894 S CA -0.461 57.671 58.200 -0.114 0.000 0.849 894 S CB 1.091 64.252 63.200 -0.064 0.000 1.103 894 S HN 0.703 nan 8.310 nan 0.000 0.455 895 A N 1.845 124.614 122.820 -0.084 0.000 2.302 895 A HA 0.845 5.125 4.320 -0.067 0.000 0.285 895 A C 0.153 177.712 177.584 -0.041 0.000 1.105 895 A CA -0.142 51.856 52.037 -0.064 0.000 0.816 895 A CB 0.515 19.495 19.000 -0.034 0.000 1.067 895 A HN 1.709 nan 8.150 nan 0.000 0.489 896 V N -1.296 118.603 119.914 -0.026 0.000 3.141 896 V HA 0.887 4.967 4.120 -0.067 0.000 0.312 896 V C -0.214 175.883 176.094 0.004 0.000 1.157 896 V CA -0.630 61.664 62.300 -0.009 0.000 1.041 896 V CB 1.706 33.519 31.823 -0.017 0.000 1.071 896 V HN 0.798 nan 8.190 nan 0.000 0.441 897 S N 2.304 118.011 115.700 0.013 0.000 2.473 897 S HA 0.794 5.224 4.470 -0.067 0.000 0.307 897 S C -0.634 173.974 174.600 0.013 0.000 1.094 897 S CA -0.577 57.631 58.200 0.014 0.000 1.070 897 S CB 1.182 64.393 63.200 0.018 0.000 1.019 897 S HN 0.697 nan 8.310 nan 0.000 0.480 898 L N 3.162 124.390 121.223 0.008 0.000 2.329 898 L HA 0.691 4.991 4.340 -0.067 0.000 0.279 898 L C -1.072 175.799 176.870 0.001 0.000 1.014 898 L CA -0.930 53.912 54.840 0.003 0.000 0.814 898 L CB 1.506 43.564 42.059 -0.002 0.000 1.257 898 L HN 0.434 nan 8.230 nan 0.000 0.424 899 L N 2.830 124.052 121.223 -0.002 0.000 2.436 899 L HA 0.780 5.080 4.340 -0.067 0.000 0.268 899 L C -0.633 176.236 176.870 -0.002 0.000 0.974 899 L CA -0.158 54.684 54.840 0.004 0.000 0.826 899 L CB 1.859 43.930 42.059 0.021 0.000 1.291 899 L HN 0.649 nan 8.230 nan 0.000 0.406 900 A N 4.400 127.217 122.820 -0.005 0.000 2.290 900 A HA 0.724 5.004 4.320 -0.067 0.000 0.310 900 A C -0.852 176.736 177.584 0.007 0.000 1.202 900 A CA -0.447 51.584 52.037 -0.009 0.000 0.837 900 A CB 1.082 20.064 19.000 -0.030 0.000 1.139 900 A HN 0.592 nan 8.150 nan 0.000 0.509 901 V N 5.670 125.595 119.914 0.018 0.000 2.260 901 V HA 0.202 4.282 4.120 -0.067 0.000 0.263 901 V C -1.459 174.646 176.094 0.018 0.000 1.036 901 V CA -0.786 61.535 62.300 0.034 0.000 0.874 901 V CB 0.845 32.721 31.823 0.087 0.000 1.116 901 V HN 0.874 nan 8.190 nan 0.000 0.454 902 P HA -0.261 nan 4.420 nan 0.000 0.216 902 P C 1.469 178.767 177.300 -0.004 0.000 1.154 902 P CA 1.877 64.971 63.100 -0.011 0.000 0.865 902 P CB 0.405 32.091 31.700 -0.023 0.000 0.789 903 E N 0.591 120.790 120.200 -0.002 0.000 2.171 903 E HA -0.162 4.148 4.350 -0.067 0.000 0.197 903 E C 1.725 178.331 176.600 0.010 0.000 0.997 903 E CA 1.586 57.986 56.400 -0.001 0.000 0.810 903 E CB -0.805 28.892 29.700 -0.004 0.000 0.738 903 E HN 0.231 nan 8.360 nan 0.000 0.467 904 A N 0.674 123.508 122.820 0.022 0.000 2.348 904 A HA 0.252 4.531 4.320 -0.067 0.000 0.224 904 A C 0.547 178.151 177.584 0.033 0.000 1.227 904 A CA -0.017 52.041 52.037 0.035 0.000 0.885 904 A CB -0.143 18.893 19.000 0.060 0.000 0.933 904 A HN 0.195 nan 8.150 nan 0.000 0.506 905 R N -0.655 119.856 120.500 0.019 0.000 3.416 905 R HA -0.182 4.118 4.340 -0.067 0.000 0.263 905 R C -0.640 175.670 176.300 0.018 0.000 1.053 905 R CA 1.009 57.115 56.100 0.011 0.000 0.705 905 R CB -1.978 28.328 30.300 0.011 0.000 1.124 905 R HN 0.760 nan 8.270 nan 0.000 0.444 906 Q N -0.095 119.719 119.800 0.023 0.000 2.297 906 Q HA 0.704 5.004 4.340 -0.067 0.000 0.268 906 Q C -0.312 175.690 176.000 0.002 0.000 1.045 906 Q CA -0.915 54.901 55.803 0.022 0.000 0.861 906 Q CB 2.054 30.820 28.738 0.047 0.000 1.344 906 Q HN 0.202 nan 8.270 nan 0.000 0.452 907 I N 1.475 122.038 120.570 -0.011 0.000 2.497 907 I HA 0.291 4.421 4.170 -0.067 0.000 0.284 907 I C -1.026 175.070 176.117 -0.036 0.000 1.060 907 I CA -0.796 60.494 61.300 -0.017 0.000 1.071 907 I CB 1.812 39.808 38.000 -0.007 0.000 1.216 907 I HN 0.237 nan 8.210 nan 0.000 0.442 908 V N 4.605 124.485 119.914 -0.058 0.000 2.439 908 V HA 0.437 4.517 4.120 -0.067 0.000 0.282 908 V C 0.220 176.298 176.094 -0.027 0.000 1.039 908 V CA -0.261 61.980 62.300 -0.098 0.000 0.913 908 V CB 1.613 33.330 31.823 -0.177 0.000 0.983 908 V HN 0.689 nan 8.190 nan 0.000 0.460 909 T N 5.246 119.810 114.554 0.017 0.000 2.864 909 T HA 0.430 4.740 4.350 -0.067 0.000 0.310 909 T C -0.100 174.657 174.700 0.095 0.000 1.040 909 T CA -0.561 61.566 62.100 0.046 0.000 0.977 909 T CB 0.605 69.496 68.868 0.037 0.000 0.976 909 T HN 0.513 nan 8.240 nan 0.000 0.459 910 R N 2.064 122.604 120.500 0.066 0.000 2.267 910 R HA 0.508 4.808 4.340 -0.067 0.000 0.319 910 R C -0.655 175.702 176.300 0.095 0.000 1.067 910 R CA -0.226 55.928 56.100 0.091 0.000 0.936 910 R CB 0.567 30.900 30.300 0.055 0.000 1.006 910 R HN 0.386 nan 8.270 nan 0.000 0.452 911 V N 6.673 126.686 119.914 0.165 0.000 2.350 911 V HA 0.328 4.408 4.120 -0.067 0.000 0.285 911 V C -2.028 174.152 176.094 0.144 0.000 1.014 911 V CA -2.243 60.140 62.300 0.139 0.000 0.831 911 V CB 1.571 33.487 31.823 0.154 0.000 1.000 911 V HN 0.737 nan 8.190 nan 0.000 0.433 912 P HA 0.055 nan 4.420 nan 0.000 0.261 912 P C 0.650 177.980 177.300 0.051 0.000 1.183 912 P CA 0.162 63.279 63.100 0.028 0.000 0.761 912 P CB 0.900 32.608 31.700 0.014 0.000 0.785 913 K N 3.286 123.650 120.400 -0.059 0.000 2.107 913 K HA -0.240 4.040 4.320 -0.067 0.000 0.211 913 K C 2.027 178.694 176.600 0.112 0.000 1.049 913 K CA 2.235 58.486 56.287 -0.061 0.000 0.927 913 K CB -0.638 31.688 32.500 -0.290 0.000 0.714 913 K HN 0.511 nan 8.250 nan 0.000 0.452 914 A N 1.185 124.035 122.820 0.049 0.000 2.070 914 A HA -0.094 4.186 4.320 -0.067 0.000 0.220 914 A C 2.269 179.893 177.584 0.067 0.000 1.159 914 A CA 1.621 53.691 52.037 0.055 0.000 0.656 914 A CB -0.547 18.468 19.000 0.026 0.000 0.800 914 A HN 0.377 nan 8.150 nan 0.000 0.453 915 A N -0.420 122.445 122.820 0.075 0.000 2.019 915 A HA 0.090 4.370 4.320 -0.067 0.000 0.219 915 A C 1.138 178.766 177.584 0.073 0.000 1.164 915 A CA 0.796 52.866 52.037 0.055 0.000 0.644 915 A CB -0.390 18.637 19.000 0.045 0.000 0.805 915 A HN 0.451 nan 8.150 nan 0.000 0.449 916 L N 0.898 122.199 121.223 0.129 0.000 2.407 916 L HA 0.300 4.600 4.340 -0.067 0.000 0.261 916 L C 0.912 177.849 176.870 0.112 0.000 1.108 916 L CA -0.626 54.287 54.840 0.122 0.000 0.995 916 L CB 0.410 42.564 42.059 0.158 0.000 1.349 916 L HN 0.286 nan 8.230 nan 0.000 0.423 917 G N 1.162 110.009 108.800 0.077 0.000 2.459 917 G HA2 0.184 4.104 3.960 -0.067 0.000 0.290 917 G HA3 0.184 4.104 3.960 -0.067 0.000 0.290 917 G C 1.215 176.154 174.900 0.065 0.000 0.646 917 G CA 0.728 45.866 45.100 0.063 0.000 2.078 917 G HN 0.979 nan 8.290 nan 0.000 0.508 918 G N 0.643 109.492 108.800 0.081 0.000 2.267 918 G HA2 -0.259 3.661 3.960 -0.067 0.000 0.257 918 G HA3 -0.259 3.661 3.960 -0.067 0.000 0.257 918 G C 0.590 175.534 174.900 0.074 0.000 0.998 918 G CA 0.367 45.511 45.100 0.074 0.000 0.620 918 G HN 1.230 nan 8.290 nan 0.000 0.529 919 L N 2.408 123.676 121.223 0.074 0.000 2.515 919 L HA 0.554 4.854 4.340 -0.067 0.000 0.281 919 L C 0.080 176.974 176.870 0.040 0.000 1.131 919 L CA -0.828 54.046 54.840 0.056 0.000 0.905 919 L CB 0.515 42.610 42.059 0.060 0.000 1.246 919 L HN 0.206 nan 8.230 nan 0.000 0.463 920 D N 7.618 128.035 120.400 0.029 0.000 2.339 920 D HA 0.166 4.766 4.640 -0.067 0.000 0.256 920 D C -1.575 174.679 176.300 -0.076 0.000 1.214 920 D CA -2.011 51.988 54.000 -0.001 0.000 0.877 920 D CB 1.436 42.256 40.800 0.034 0.000 1.111 920 D HN 0.402 nan 8.370 nan 0.000 0.478 921 P HA -0.163 nan 4.420 nan 0.000 0.221 921 P C 0.953 178.167 177.300 -0.143 0.000 1.145 921 P CA 0.729 63.706 63.100 -0.205 0.000 0.795 921 P CB 0.193 31.635 31.700 -0.431 0.000 0.775 922 A N 0.431 123.184 122.820 -0.112 0.000 1.972 922 A HA -0.102 4.178 4.320 -0.067 0.000 0.219 922 A C 1.922 179.478 177.584 -0.047 0.000 1.169 922 A CA 2.278 54.273 52.037 -0.071 0.000 0.635 922 A CB -1.395 17.587 19.000 -0.031 0.000 0.810 922 A HN 0.401 nan 8.150 nan 0.000 0.446 923 T N -4.097 110.438 114.554 -0.032 0.000 3.231 923 T HA 0.657 4.967 4.350 -0.067 0.000 0.292 923 T C 0.270 174.964 174.700 -0.011 0.000 1.001 923 T CA 0.317 62.406 62.100 -0.018 0.000 0.920 923 T CB -0.026 68.836 68.868 -0.009 0.000 1.140 923 T HN 0.569 nan 8.240 nan 0.000 0.525 924 A N 1.592 124.406 122.820 -0.010 0.000 2.293 924 A HA 0.775 5.055 4.320 -0.067 0.000 0.302 924 A C 0.243 177.842 177.584 0.024 0.000 1.119 924 A CA -0.899 51.146 52.037 0.013 0.000 0.823 924 A CB 0.778 19.792 19.000 0.024 0.000 1.097 924 A HN 0.375 nan 8.150 nan 0.000 0.491 925 R N 0.483 121.008 120.500 0.043 0.000 2.486 925 R HA 0.652 4.952 4.340 -0.067 0.000 0.286 925 R C -0.571 175.786 176.300 0.095 0.000 0.999 925 R CA -0.126 56.009 56.100 0.058 0.000 0.993 925 R CB 1.323 31.656 30.300 0.054 0.000 1.084 925 R HN 0.918 nan 8.270 nan 0.000 0.487 926 M N -1.212 118.445 119.600 0.095 0.000 2.520 926 M HA 0.445 4.885 4.480 -0.067 0.000 0.280 926 M C -1.159 175.203 176.300 0.103 0.000 1.232 926 M CA -0.848 54.519 55.300 0.113 0.000 0.892 926 M CB 2.388 35.052 32.600 0.106 0.000 1.728 926 M HN 0.168 nan 8.290 nan 0.000 0.475 927 S N 1.338 117.114 115.700 0.127 0.000 2.473 927 S HA 0.777 5.207 4.470 -0.067 0.000 0.307 927 S C -0.789 173.886 174.600 0.126 0.000 1.094 927 S CA -0.702 57.563 58.200 0.108 0.000 1.070 927 S CB 2.086 65.334 63.200 0.080 0.000 1.019 927 S HN 0.507 nan 8.310 nan 0.000 0.480 928 V N 2.397 122.349 119.914 0.063 0.000 2.444 928 V HA 0.849 4.929 4.120 -0.067 0.000 0.294 928 V C -0.152 175.925 176.094 -0.028 0.000 1.022 928 V CA -0.518 61.799 62.300 0.029 0.000 0.850 928 V CB 1.185 33.017 31.823 0.016 0.000 0.992 928 V HN 0.990 nan 8.190 nan 0.000 0.426 929 A N 5.232 128.012 122.820 -0.068 0.000 2.414 929 A HA 0.947 5.227 4.320 -0.067 0.000 0.306 929 A C -0.952 176.357 177.584 -0.459 0.000 1.054 929 A CA -0.703 51.156 52.037 -0.297 0.000 0.724 929 A CB 1.848 20.633 19.000 -0.358 0.000 1.267 929 A HN 0.851 nan 8.150 nan 0.000 0.418 930 M N 2.482 121.748 119.600 -0.555 0.000 2.149 930 M HA 0.766 5.206 4.480 -0.067 0.000 0.342 930 M C -1.963 173.954 176.300 -0.639 0.000 1.068 930 M CA -0.606 54.464 55.300 -0.383 0.000 0.991 930 M CB -0.354 32.172 32.600 -0.124 0.000 1.596 930 M HN 0.495 nan 8.290 nan 0.000 0.439 931 F N 1.650 121.579 119.950 -0.035 0.000 2.618 931 F HA 0.840 5.327 4.527 -0.067 0.000 0.332 931 F C 0.864 176.621 175.800 -0.071 0.000 1.061 931 F CA -1.030 56.897 58.000 -0.121 0.000 0.974 931 F CB 1.732 40.699 39.000 -0.056 0.000 1.310 931 F HN 0.632 nan 8.300 nan 0.000 0.491 932 G N 1.001 109.869 108.800 0.114 0.000 2.322 932 G HA2 0.209 4.128 3.960 -0.067 0.000 0.309 932 G HA3 0.209 4.128 3.960 -0.067 0.000 0.309 932 G C -0.833 174.274 174.900 0.345 0.000 1.121 932 G CA -0.640 44.597 45.100 0.230 0.000 0.886 932 G HN 0.653 nan 8.290 nan 0.000 0.447 933 N N 1.182 120.116 118.700 0.388 0.000 2.415 933 N HA 0.456 5.156 4.740 -0.067 0.000 0.248 933 N C -0.192 175.528 175.510 0.351 0.000 1.271 933 N CA 0.499 53.734 53.050 0.309 0.000 0.913 933 N CB 1.307 39.938 38.487 0.239 0.000 1.129 933 N HN 0.661 nan 8.380 nan 0.000 0.444 934 A N 1.657 124.681 122.820 0.341 0.000 2.601 934 A HA 0.345 4.625 4.320 -0.067 0.000 0.291 934 A C -1.020 176.818 177.584 0.422 0.000 1.075 934 A CA -0.778 51.476 52.037 0.363 0.000 0.671 934 A CB 0.909 20.066 19.000 0.261 0.000 1.277 934 A HN 0.725 nan 8.150 nan 0.000 0.417 935 E N 0.627 121.017 120.200 0.316 0.000 2.374 935 E HA 0.275 4.585 4.350 -0.067 0.000 0.260 935 E C 1.198 177.792 176.600 -0.009 0.000 1.101 935 E CA 0.299 56.719 56.400 0.034 0.000 0.907 935 E CB 0.785 30.410 29.700 -0.125 0.000 1.014 935 E HN 0.747 nan 8.360 nan 0.000 0.427 936 S N 1.544 117.175 115.700 -0.115 0.000 2.372 936 S HA -0.192 4.238 4.470 -0.067 0.000 0.227 936 S C 1.865 176.447 174.600 -0.030 0.000 1.044 936 S CA 1.136 59.299 58.200 -0.061 0.000 1.050 936 S CB -0.694 62.448 63.200 -0.096 0.000 0.901 936 S HN 0.731 nan 8.310 nan 0.000 0.447 937 G N 0.540 109.309 108.800 -0.052 0.000 2.882 937 G HA2 0.118 4.038 3.960 -0.067 0.000 0.206 937 G HA3 0.118 4.038 3.960 -0.067 0.000 0.206 937 G C 0.987 175.912 174.900 0.042 0.000 1.155 937 G CA 0.121 45.211 45.100 -0.017 0.000 0.800 937 G HN 0.674 nan 8.290 nan 0.000 0.524 938 E N -0.904 119.335 120.200 0.065 0.000 2.473 938 E HA 0.344 4.654 4.350 -0.067 0.000 0.204 938 E C 0.840 177.551 176.600 0.185 0.000 0.994 938 E CA 0.179 56.667 56.400 0.146 0.000 0.945 938 E CB 1.064 30.844 29.700 0.134 0.000 0.990 938 E HN 0.305 nan 8.360 nan 0.000 0.493 939 G N 1.782 110.648 108.800 0.110 0.000 2.378 939 G HA2 0.167 4.087 3.960 -0.067 0.000 0.302 939 G HA3 0.167 4.087 3.960 -0.067 0.000 0.302 939 G C -0.637 174.279 174.900 0.027 0.000 1.669 939 G CA -1.081 44.064 45.100 0.076 0.000 0.920 939 G HN 0.129 nan 8.290 nan 0.000 0.697 940 I N 0.218 120.786 120.570 -0.004 0.000 2.752 940 I HA 0.454 4.584 4.170 -0.067 0.000 0.287 940 I C 1.399 177.488 176.117 -0.048 0.000 1.188 940 I CA 0.858 62.143 61.300 -0.026 0.000 1.427 940 I CB 0.791 38.770 38.000 -0.035 0.000 1.365 940 I HN 1.975 nan 8.210 nan 0.000 0.585 941 G N 4.102 112.872 108.800 -0.050 0.000 2.143 941 G HA2 -0.317 3.603 3.960 -0.067 0.000 0.249 941 G HA3 -0.317 3.603 3.960 -0.067 0.000 0.249 941 G C 0.355 175.219 174.900 -0.060 0.000 0.981 941 G CA 0.156 45.206 45.100 -0.084 0.000 0.665 941 G HN 0.935 nan 8.290 nan 0.000 0.528 942 N N -2.248 116.456 118.700 0.007 0.000 2.758 942 N HA -0.166 4.534 4.740 -0.067 0.000 0.248 942 N C -0.009 175.551 175.510 0.084 0.000 1.076 942 N CA 1.305 54.410 53.050 0.092 0.000 0.696 942 N CB -1.350 37.221 38.487 0.140 0.000 0.979 942 N HN 0.910 nan 8.380 nan 0.000 0.550 943 V N 0.789 120.723 119.914 0.034 0.000 2.409 943 V HA 0.262 4.342 4.120 -0.067 0.000 0.291 943 V C 0.934 177.091 176.094 0.105 0.000 1.020 943 V CA -0.846 61.470 62.300 0.026 0.000 0.848 943 V CB 2.058 33.790 31.823 -0.153 0.000 0.990 943 V HN 0.203 nan 8.190 nan 0.000 0.430 944 R N 7.887 128.510 120.500 0.204 0.000 2.399 944 R HA 0.211 4.511 4.340 -0.067 0.000 0.324 944 R C -2.217 174.233 176.300 0.250 0.000 1.030 944 R CA -1.041 55.206 56.100 0.244 0.000 0.984 944 R CB 0.687 31.136 30.300 0.249 0.000 0.961 944 R HN 0.457 nan 8.270 nan 0.000 0.433 945 P HA -0.012 nan 4.420 nan 0.000 0.272 945 P C -0.804 176.388 177.300 -0.180 0.000 1.230 945 P CA -0.217 62.822 63.100 -0.101 0.000 0.788 945 P CB 1.003 32.552 31.700 -0.251 0.000 0.949 946 V N 2.648 122.323 119.914 -0.399 0.000 2.398 946 V HA 0.306 4.386 4.120 -0.067 0.000 0.286 946 V C -0.114 175.633 176.094 -0.578 0.000 1.026 946 V CA -0.271 61.772 62.300 -0.429 0.000 0.868 946 V CB 0.422 31.851 31.823 -0.657 0.000 0.982 946 V HN 0.446 nan 8.190 nan 0.000 0.443 947 Y N 0.936 121.222 120.300 -0.024 0.000 2.631 947 Y HA 0.446 4.955 4.550 -0.068 0.000 0.328 947 Y C 0.531 176.487 175.900 0.094 0.000 1.118 947 Y CA -1.031 57.130 58.100 0.101 0.000 1.206 947 Y CB 0.669 39.358 38.460 0.382 0.000 1.337 947 Y HN 0.673 nan 8.280 nan 0.000 0.515 948 D N 0.098 120.722 120.400 0.373 0.000 2.506 948 D HA 0.047 4.647 4.640 -0.067 0.000 0.234 948 D C 1.176 177.682 176.300 0.342 0.000 1.143 948 D CA 1.133 55.309 54.000 0.293 0.000 0.871 948 D CB 1.155 42.110 40.800 0.258 0.000 1.190 948 D HN 0.695 nan 8.370 nan 0.000 0.459 949 G N 2.808 111.761 108.800 0.255 0.000 2.552 949 G HA2 -0.234 3.686 3.960 -0.067 0.000 0.216 949 G HA3 -0.234 3.686 3.960 -0.067 0.000 0.216 949 G C 1.462 176.545 174.900 0.305 0.000 1.240 949 G CA 1.399 46.649 45.100 0.249 0.000 0.796 949 G HN 0.694 nan 8.290 nan 0.000 0.568 950 A N -0.098 122.868 122.820 0.244 0.000 1.892 950 A HA -0.146 4.134 4.320 -0.067 0.000 0.218 950 A C 2.264 179.979 177.584 0.218 0.000 1.188 950 A CA 2.121 54.279 52.037 0.202 0.000 0.631 950 A CB -0.897 18.197 19.000 0.158 0.000 0.822 950 A HN 0.602 nan 8.150 nan 0.000 0.447 951 Y N -1.249 119.126 120.300 0.125 0.000 2.114 951 Y HA -0.278 4.232 4.550 -0.067 0.000 0.282 951 Y C 2.168 178.117 175.900 0.082 0.000 1.165 951 Y CA 1.977 60.126 58.100 0.081 0.000 1.148 951 Y CB -0.834 37.682 38.460 0.093 0.000 0.972 951 Y HN 0.524 nan 8.280 nan 0.000 0.504 952 W N 1.406 122.627 121.300 -0.132 0.000 2.355 952 W HA -0.176 4.443 4.660 -0.068 0.000 0.309 952 W C 2.443 178.851 176.519 -0.185 0.000 1.206 952 W CA 2.358 59.559 57.345 -0.239 0.000 1.284 952 W CB -0.493 28.950 29.460 -0.030 0.000 1.145 952 W HN 0.242 nan 8.180 nan 0.000 0.502 953 E N 0.802 121.095 120.200 0.155 0.000 2.118 953 E HA -0.211 4.098 4.350 -0.067 0.000 0.195 953 E C 2.124 178.597 176.600 -0.213 0.000 0.992 953 E CA 2.197 58.580 56.400 -0.030 0.000 0.804 953 E CB -0.839 28.964 29.700 0.172 0.000 0.741 953 E HN 0.218 nan 8.360 nan 0.000 0.458 954 A N 0.285 123.009 122.820 -0.160 0.000 1.978 954 A HA 0.031 4.311 4.320 -0.067 0.000 0.220 954 A C 1.673 179.091 177.584 -0.276 0.000 1.170 954 A CA 1.337 53.272 52.037 -0.170 0.000 0.636 954 A CB -1.302 17.634 19.000 -0.106 0.000 0.810 954 A HN 0.685 nan 8.150 nan 0.000 0.448 955 G N 0.570 109.105 108.800 -0.442 0.000 2.387 955 G HA2 0.022 3.942 3.960 -0.067 0.000 0.270 955 G HA3 0.022 3.942 3.960 -0.067 0.000 0.270 955 G C -0.560 174.112 174.900 -0.380 0.000 0.957 955 G CA 0.474 45.288 45.100 -0.478 0.000 1.352 955 G HN 1.427 nan 8.290 nan 0.000 0.457 956 D N 1.443 121.568 120.400 -0.459 0.000 2.251 956 D HA 0.260 4.860 4.640 -0.067 0.000 0.210 956 D C -1.767 174.285 176.300 -0.413 0.000 1.304 956 D CA -0.870 52.923 54.000 -0.344 0.000 0.912 956 D CB 0.593 41.273 40.800 -0.201 0.000 1.553 956 D HN 0.340 nan 8.370 nan 0.000 0.526 957 P HA 0.250 nan 4.420 nan 0.000 0.274 957 P C 0.853 177.815 177.300 -0.564 0.000 1.264 957 P CA -0.362 62.442 63.100 -0.494 0.000 0.795 957 P CB 0.702 32.074 31.700 -0.546 0.000 1.064 958 A N 0.173 122.799 122.820 -0.324 0.000 1.968 958 A HA -0.104 4.176 4.320 -0.067 0.000 0.217 958 A C 2.057 179.564 177.584 -0.129 0.000 1.169 958 A CA 1.142 53.057 52.037 -0.202 0.000 0.638 958 A CB -1.444 17.536 19.000 -0.034 0.000 0.812 958 A HN 0.806 nan 8.150 nan 0.000 0.446 959 W N -0.481 120.811 121.300 -0.014 0.000 2.465 959 W HA -0.041 4.588 4.660 -0.052 0.000 0.268 959 W C 1.214 177.772 176.519 0.065 0.000 1.242 959 W CA 0.297 57.734 57.345 0.153 0.000 1.248 959 W CB -0.866 28.640 29.460 0.076 0.000 1.118 959 W HN 0.146 nan 8.180 nan 0.000 0.587 960 I N 2.085 122.323 120.570 -0.553 0.000 2.142 960 I HA -0.256 3.874 4.170 -0.067 0.000 0.240 960 I C 2.543 178.513 176.117 -0.245 0.000 1.078 960 I CA 1.772 62.777 61.300 -0.492 0.000 1.343 960 I CB -1.319 36.140 38.000 -0.901 0.000 1.046 960 I HN 0.015 nan 8.210 nan 0.000 0.405 961 K N 0.553 120.600 120.400 -0.588 0.000 2.296 961 K HA -0.160 4.120 4.320 -0.067 0.000 0.200 961 K C 1.944 178.320 176.600 -0.373 0.000 1.048 961 K CA 0.935 56.618 56.287 -1.005 0.000 0.966 961 K CB 0.207 31.930 32.500 -1.295 0.000 0.754 961 K HN 0.308 nan 8.250 nan 0.000 0.466 962 E N -1.253 118.821 120.200 -0.210 0.000 2.307 962 E HA -0.064 4.246 4.350 -0.067 0.000 0.195 962 E C 0.306 176.645 176.600 -0.436 0.000 0.975 962 E CA 0.323 56.561 56.400 -0.271 0.000 0.878 962 E CB 0.261 29.814 29.700 -0.245 0.000 0.845 962 E HN 0.358 nan 8.360 nan 0.000 0.488 963 W N 0.531 121.884 121.300 0.089 0.000 2.518 963 W HA 0.319 4.954 4.660 -0.042 0.000 0.352 963 W C -0.018 176.485 176.519 -0.026 0.000 0.952 963 W CA -0.672 56.713 57.345 0.067 0.000 1.624 963 W CB 0.951 30.518 29.460 0.180 0.000 1.135 963 W HN -0.242 nan 8.180 nan 0.000 0.540 964 R N -0.249 120.361 120.500 0.183 0.000 2.888 964 R HA 0.491 4.791 4.340 -0.067 0.000 0.264 964 R C -0.973 175.341 176.300 0.023 0.000 1.045 964 R CA -1.275 54.908 56.100 0.139 0.000 0.962 964 R CB 0.399 31.001 30.300 0.502 0.000 1.210 964 R HN -0.245 nan 8.270 nan 0.000 0.479 965 F N -0.467 119.519 119.950 0.060 0.000 2.371 965 F HA 0.628 5.118 4.527 -0.062 0.000 0.329 965 F C 1.327 176.872 175.800 -0.425 0.000 1.107 965 F CA 0.183 58.030 58.000 -0.256 0.000 1.137 965 F CB 1.266 40.060 39.000 -0.343 0.000 1.214 965 F HN 0.554 nan 8.300 nan 0.000 0.536 966 G N -0.942 107.407 108.800 -0.751 0.000 2.680 966 G HA2 0.507 4.427 3.960 -0.067 0.000 0.290 966 G HA3 0.507 4.427 3.960 -0.067 0.000 0.290 966 G C 0.154 174.742 174.900 -0.520 0.000 1.355 966 G CA -0.483 44.158 45.100 -0.765 0.000 0.903 966 G HN 1.189 nan 8.290 nan 0.000 0.474 967 G N -1.892 106.789 108.800 -0.197 0.000 2.159 967 G HA2 0.165 4.085 3.960 -0.067 0.000 0.227 967 G HA3 0.165 4.085 3.960 -0.067 0.000 0.227 967 G C 0.788 175.737 174.900 0.082 0.000 0.986 967 G CA 0.933 46.032 45.100 -0.002 0.000 0.651 967 G HN 1.660 nan 8.290 nan 0.000 0.523 968 G N -0.296 108.414 108.800 -0.149 0.000 2.968 968 G HA2 0.883 4.803 3.960 -0.067 0.000 0.206 968 G HA3 0.883 4.803 3.960 -0.067 0.000 0.206 968 G C 0.236 175.130 174.900 -0.010 0.000 2.051 968 G CA 1.198 46.218 45.100 -0.134 0.000 0.773 968 G HN 1.848 nan 8.290 nan 0.000 0.741 969 A N -2.225 120.468 122.820 -0.213 0.000 2.594 969 A HA 0.778 5.058 4.320 -0.067 0.000 0.296 969 A C -0.026 177.509 177.584 -0.082 0.000 1.061 969 A CA 0.538 52.516 52.037 -0.099 0.000 0.689 969 A CB 0.803 19.645 19.000 -0.264 0.000 1.280 969 A HN 2.518 nan 8.150 nan 0.000 0.406 970 G N -0.968 107.837 108.800 0.009 0.000 2.663 970 G HA2 0.508 4.428 3.960 -0.067 0.000 0.686 970 G HA3 0.508 4.428 3.960 -0.067 0.000 0.686 970 G C -0.314 174.640 174.900 0.091 0.000 1.246 970 G CA 0.124 45.236 45.100 0.021 0.000 0.795 970 G HN 2.375 nan 8.290 nan 0.000 0.627 971 V N -0.542 119.322 119.914 -0.084 0.000 3.113 971 V HA 0.894 4.974 4.120 -0.067 0.000 0.316 971 V C 0.690 176.795 176.094 0.017 0.000 1.125 971 V CA -0.973 61.060 62.300 -0.445 0.000 1.026 971 V CB 1.713 32.970 31.823 -0.943 0.000 1.080 971 V HN 1.785 nan 8.190 nan 0.000 0.444 972 F N 1.838 121.680 119.950 -0.181 0.000 2.545 972 F HA 0.522 5.011 4.527 -0.063 0.000 0.348 972 F C 0.052 175.903 175.800 0.085 0.000 1.163 972 F CA 0.914 58.926 58.000 0.020 0.000 1.331 972 F CB 0.645 39.653 39.000 0.012 0.000 1.138 972 F HN 0.900 nan 8.300 nan 0.000 0.602 973 D N 3.097 122.843 120.400 -1.089 0.000 2.591 973 D HA 0.205 4.805 4.640 -0.067 0.000 0.222 973 D C 0.370 176.078 176.300 -0.987 0.000 1.360 973 D CA -0.135 53.429 54.000 -0.726 0.000 0.967 973 D CB 1.144 41.762 40.800 -0.302 0.000 1.456 973 D HN 0.681 nan 8.370 nan 0.000 0.588 974 G N 1.800 110.210 108.800 -0.649 0.000 2.848 974 G HA2 -0.091 3.829 3.960 -0.067 0.000 0.208 974 G HA3 -0.091 3.829 3.960 -0.067 0.000 0.208 974 G C 1.263 176.106 174.900 -0.096 0.000 1.152 974 G CA 1.195 46.167 45.100 -0.214 0.000 0.789 974 G HN 0.542 nan 8.290 nan 0.000 0.531 975 T N -0.686 113.797 114.554 -0.119 0.000 2.894 975 T HA 0.151 4.461 4.350 -0.067 0.000 0.258 975 T C 1.357 176.017 174.700 -0.067 0.000 1.043 975 T CA 0.435 62.496 62.100 -0.065 0.000 1.141 975 T CB -0.140 68.698 68.868 -0.051 0.000 0.873 975 T HN 0.180 nan 8.240 nan 0.000 0.449 976 I N 0.817 121.330 120.570 -0.094 0.000 2.566 976 I HA 0.457 4.587 4.170 -0.067 0.000 0.303 976 I C -1.870 174.208 176.117 -0.065 0.000 0.983 976 I CA -2.948 58.310 61.300 -0.071 0.000 1.235 976 I CB 0.949 38.907 38.000 -0.069 0.000 1.386 976 I HN -0.119 nan 8.210 nan 0.000 0.494 977 P HA -0.141 nan 4.420 nan 0.000 0.221 977 P C 1.250 178.535 177.300 -0.025 0.000 1.145 977 P CA 1.542 64.624 63.100 -0.030 0.000 0.795 977 P CB 0.125 31.810 31.700 -0.026 0.000 0.775 978 S N -1.225 114.453 115.700 -0.038 0.000 2.496 978 S HA 0.037 4.467 4.470 -0.067 0.000 0.224 978 S C 1.142 175.738 174.600 -0.008 0.000 0.996 978 S CA -0.126 58.055 58.200 -0.032 0.000 0.927 978 S CB -0.586 62.583 63.200 -0.051 0.000 0.774 978 S HN -0.111 nan 8.310 nan 0.000 0.524 979 R N 0.688 121.159 120.500 -0.049 0.000 4.000 979 R HA -0.141 4.159 4.340 -0.067 0.000 0.348 979 R C -0.748 175.568 176.300 0.027 0.000 1.204 979 R CA 1.360 57.395 56.100 -0.107 0.000 0.987 979 R CB -2.809 27.577 30.300 0.143 0.000 1.446 979 R HN 0.659 nan 8.270 nan 0.000 0.555 980 D N -0.370 120.045 120.400 0.025 0.000 2.505 980 D HA 0.250 4.850 4.640 -0.067 0.000 0.249 980 D C 0.871 177.166 176.300 -0.007 0.000 1.082 980 D CA 0.273 54.325 54.000 0.086 0.000 0.839 980 D CB 1.291 42.040 40.800 -0.085 0.000 1.317 980 D HN 0.060 nan 8.370 nan 0.000 0.497 981 T N -0.114 114.446 114.554 0.009 0.000 3.148 981 T HA 0.098 4.408 4.350 -0.067 0.000 0.253 981 T C 0.271 174.947 174.700 -0.040 0.000 1.134 981 T CA -0.076 62.003 62.100 -0.035 0.000 1.051 981 T CB 0.203 69.043 68.868 -0.047 0.000 0.959 981 T HN 0.248 nan 8.240 nan 0.000 0.525 982 D N 1.130 121.498 120.400 -0.054 0.000 2.613 982 D HA 0.217 4.817 4.640 -0.067 0.000 0.230 982 D C 0.329 176.540 176.300 -0.147 0.000 1.365 982 D CA -0.352 53.598 54.000 -0.083 0.000 0.976 982 D CB 1.764 42.519 40.800 -0.075 0.000 1.415 982 D HN 0.139 nan 8.370 nan 0.000 0.589 983 T N -0.159 114.317 114.554 -0.130 0.000 3.129 983 T HA 0.158 4.468 4.350 -0.067 0.000 0.267 983 T C 0.690 175.293 174.700 -0.161 0.000 1.018 983 T CA -0.256 61.749 62.100 -0.158 0.000 0.903 983 T CB 0.245 69.047 68.868 -0.109 0.000 1.067 983 T HN 0.027 nan 8.240 nan 0.000 0.549 984 D N 3.020 123.325 120.400 -0.159 0.000 2.178 984 D HA -0.037 4.563 4.640 -0.067 0.000 0.202 984 D C 0.730 176.896 176.300 -0.223 0.000 0.974 984 D CA 0.943 54.891 54.000 -0.087 0.000 0.841 984 D CB -0.147 40.692 40.800 0.065 0.000 0.953 984 D HN 0.724 nan 8.370 nan 0.000 0.478 985 D N 1.073 121.075 120.400 -0.664 0.000 2.256 985 D HA 0.120 4.720 4.640 -0.067 0.000 0.250 985 D C -2.443 173.596 176.300 -0.436 0.000 1.093 985 D CA -1.739 51.600 54.000 -1.101 0.000 0.882 985 D CB 1.154 40.900 40.800 -1.757 0.000 1.185 985 D HN 0.028 nan 8.370 nan 0.000 0.437 986 P HA 0.073 nan 4.420 nan 0.000 0.272 986 P C -0.233 177.089 177.300 0.038 0.000 1.223 986 P CA -0.272 62.816 63.100 -0.020 0.000 0.784 986 P CB 0.891 32.616 31.700 0.042 0.000 0.923 987 N N -0.133 118.616 118.700 0.082 0.000 2.280 987 N HA 0.126 4.825 4.740 -0.067 0.000 0.192 987 N C 0.382 175.976 175.510 0.140 0.000 1.109 987 N CA -0.374 52.715 53.050 0.065 0.000 0.855 987 N CB 0.222 38.731 38.487 0.035 0.000 0.974 987 N HN 0.490 nan 8.380 nan 0.000 0.482 988 A N 0.580 123.465 122.820 0.110 0.000 2.409 988 A HA 0.214 4.494 4.320 -0.067 0.000 0.262 988 A C 0.790 178.192 177.584 -0.303 0.000 1.113 988 A CA -0.255 51.572 52.037 -0.350 0.000 0.790 988 A CB 0.435 19.130 19.000 -0.508 0.000 1.046 988 A HN 0.149 nan 8.150 nan 0.000 0.496 989 L N 1.507 122.481 121.223 -0.414 0.000 2.418 989 L HA 0.153 4.453 4.340 -0.067 0.000 0.218 989 L C 0.482 177.227 176.870 -0.208 0.000 1.125 989 L CA 1.405 56.058 54.840 -0.312 0.000 0.835 989 L CB -0.367 41.459 42.059 -0.389 0.000 0.953 989 L HN 0.902 nan 8.230 nan 0.000 0.454 990 D N -1.504 118.757 120.400 -0.233 0.000 2.842 990 D HA 0.288 4.888 4.640 -0.067 0.000 0.248 990 D C -0.943 175.246 176.300 -0.186 0.000 1.140 990 D CA -0.242 53.658 54.000 -0.166 0.000 0.728 990 D CB 1.191 41.945 40.800 -0.077 0.000 1.595 990 D HN -0.184 nan 8.370 nan 0.000 0.450 991 V N -1.979 117.851 119.914 -0.140 0.000 3.119 991 V HA 0.839 4.919 4.120 -0.067 0.000 0.311 991 V C -1.321 174.732 176.094 -0.068 0.000 1.259 991 V CA -0.941 61.287 62.300 -0.119 0.000 1.067 991 V CB 1.488 33.243 31.823 -0.113 0.000 1.123 991 V HN 0.491 nan 8.190 nan 0.000 0.463 992 L N 1.657 122.852 121.223 -0.046 0.000 2.325 992 L HA 0.885 5.185 4.340 -0.067 0.000 0.278 992 L C 0.015 176.873 176.870 -0.021 0.000 1.023 992 L CA -0.128 54.696 54.840 -0.026 0.000 0.811 992 L CB 1.632 43.684 42.059 -0.012 0.000 1.249 992 L HN 0.931 nan 8.230 nan 0.000 0.431 993 V N -1.017 118.886 119.914 -0.018 0.000 3.141 993 V HA 1.069 5.149 4.120 -0.067 0.000 0.312 993 V C -0.029 176.061 176.094 -0.008 0.000 1.157 993 V CA -0.472 61.819 62.300 -0.014 0.000 1.041 993 V CB 1.410 33.220 31.823 -0.021 0.000 1.071 993 V HN 0.741 nan 8.190 nan 0.000 0.441 994 G N -0.119 108.678 108.800 -0.004 0.000 2.705 994 G HA2 0.576 4.496 3.960 -0.067 0.000 0.299 994 G HA3 0.576 4.496 3.960 -0.067 0.000 0.299 994 G C -0.507 174.391 174.900 -0.003 0.000 1.315 994 G CA -0.914 44.186 45.100 -0.000 0.000 1.045 994 G HN 0.915 nan 8.290 nan 0.000 0.517 995 E N -0.773 119.426 120.200 -0.002 0.000 2.467 995 E HA 0.277 4.587 4.350 -0.067 0.000 0.264 995 E C 1.290 177.887 176.600 -0.004 0.000 1.020 995 E CA 1.095 57.492 56.400 -0.004 0.000 0.945 995 E CB 0.398 30.097 29.700 -0.002 0.000 0.942 995 E HN 1.026 nan 8.360 nan 0.000 0.449 996 G N 1.785 110.582 108.800 -0.006 0.000 2.245 996 G HA2 -0.340 3.580 3.960 -0.067 0.000 0.264 996 G HA3 -0.340 3.580 3.960 -0.067 0.000 0.264 996 G C 0.166 175.060 174.900 -0.010 0.000 0.985 996 G CA 0.973 46.069 45.100 -0.007 0.000 0.625 996 G HN 0.618 nan 8.290 nan 0.000 0.536 997 Q N -0.480 119.313 119.800 -0.011 0.000 2.297 997 Q HA 0.748 5.048 4.340 -0.067 0.000 0.269 997 Q C -0.750 175.238 176.000 -0.020 0.000 1.051 997 Q CA -0.284 55.510 55.803 -0.016 0.000 0.869 997 Q CB 2.219 30.948 28.738 -0.015 0.000 1.346 997 Q HN 0.354 nan 8.270 nan 0.000 0.457 998 T N -0.896 113.643 114.554 -0.025 0.000 2.893 998 T HA 0.105 4.415 4.350 -0.067 0.000 0.291 998 T C 0.406 175.083 174.700 -0.037 0.000 1.028 998 T CA -0.468 61.614 62.100 -0.030 0.000 0.995 998 T CB 1.941 70.791 68.868 -0.031 0.000 1.051 998 T HN 0.823 nan 8.240 nan 0.000 0.470 999 Q N 2.859 122.633 119.800 -0.043 0.000 2.224 999 Q HA -0.007 4.293 4.340 -0.067 0.000 0.203 999 Q C 2.039 178.000 176.000 -0.066 0.000 0.970 999 Q CA 1.713 57.482 55.803 -0.057 0.000 0.865 999 Q CB -0.334 28.365 28.738 -0.065 0.000 0.922 999 Q HN 0.857 nan 8.270 nan 0.000 0.445 1000 A N 0.590 123.374 122.820 -0.060 0.000 1.898 1000 A HA -0.086 4.194 4.320 -0.067 0.000 0.216 1000 A C 2.219 179.767 177.584 -0.059 0.000 1.181 1000 A CA 1.601 53.599 52.037 -0.065 0.000 0.620 1000 A CB -0.845 18.122 19.000 -0.055 0.000 0.819 1000 A HN 0.543 nan 8.150 nan 0.000 0.442 1001 A N -0.859 121.931 122.820 -0.049 0.000 1.874 1001 A HA 0.076 4.356 4.320 -0.067 0.000 0.214 1001 A C 2.294 179.856 177.584 -0.037 0.000 1.189 1001 A CA 1.490 53.500 52.037 -0.045 0.000 0.615 1001 A CB -1.139 17.838 19.000 -0.038 0.000 0.830 1001 A HN 0.873 nan 8.150 nan 0.000 0.443 1002 V N -0.675 119.218 119.914 -0.034 0.000 2.469 1002 V HA -0.136 3.944 4.120 -0.067 0.000 0.251 1002 V C 1.742 177.827 176.094 -0.014 0.000 1.064 1002 V CA 1.984 64.268 62.300 -0.027 0.000 1.066 1002 V CB -0.335 31.469 31.823 -0.032 0.000 0.667 1002 V HN 0.381 nan 8.190 nan 0.000 0.461 1003 L N 0.507 121.717 121.223 -0.021 0.000 2.653 1003 L HA 0.376 4.676 4.340 -0.067 0.000 0.231 1003 L C 0.592 177.513 176.870 0.085 0.000 1.153 1003 L CA 0.388 55.233 54.840 0.009 0.000 0.933 1003 L CB -0.349 41.670 42.059 -0.068 0.000 1.175 1003 L HN 0.305 nan 8.230 nan 0.000 0.473 1004 D N -0.198 120.214 120.400 0.020 0.000 2.435 1004 D HA -0.069 4.531 4.640 -0.067 0.000 0.230 1004 D C 1.175 177.460 176.300 -0.024 0.000 1.215 1004 D CA -0.264 53.702 54.000 -0.057 0.000 0.947 1004 D CB 0.326 41.062 40.800 -0.107 0.000 1.048 1004 D HN 0.288 nan 8.370 nan 0.000 0.512 1005 W N 3.864 125.156 121.300 -0.014 0.000 2.519 1005 W HA -0.029 4.592 4.660 -0.065 0.000 0.266 1005 W C 1.024 177.544 176.519 0.001 0.000 1.253 1005 W CA -0.226 57.118 57.345 -0.001 0.000 1.274 1005 W CB -0.761 28.710 29.460 0.018 0.000 1.114 1005 W HN 0.285 nan 8.180 nan 0.000 0.596 1006 R N 1.089 121.237 120.500 -0.587 0.000 2.189 1006 R HA 0.021 4.321 4.340 -0.067 0.000 0.223 1006 R C 2.389 178.565 176.300 -0.207 0.000 1.092 1006 R CA 1.483 57.284 56.100 -0.498 0.000 0.989 1006 R CB -0.442 29.478 30.300 -0.632 0.000 0.876 1006 R HN 0.161 nan 8.270 nan 0.000 0.457 1007 A N 0.488 123.220 122.820 -0.147 0.000 2.267 1007 A HA 0.344 4.624 4.320 -0.067 0.000 0.213 1007 A C 0.629 178.196 177.584 -0.028 0.000 1.192 1007 A CA 0.625 52.614 52.037 -0.079 0.000 0.851 1007 A CB 0.664 19.618 19.000 -0.076 0.000 0.881 1007 A HN 0.337 nan 8.150 nan 0.000 0.494 1008 G N -1.584 107.220 108.800 0.007 0.000 2.405 1008 G HA2 0.450 4.370 3.960 -0.067 0.000 0.303 1008 G HA3 0.450 4.370 3.960 -0.067 0.000 0.303 1008 G C -1.137 173.815 174.900 0.087 0.000 1.644 1008 G CA 0.342 45.463 45.100 0.036 0.000 0.899 1008 G HN 0.757 nan 8.290 nan 0.000 0.667 1009 S N 1.366 117.118 115.700 0.087 0.000 2.540 1009 S HA 0.859 5.289 4.470 -0.067 0.000 0.275 1009 S C -2.376 172.258 174.600 0.056 0.000 1.123 1009 S CA -0.839 57.422 58.200 0.103 0.000 0.907 1009 S CB 1.833 65.126 63.200 0.156 0.000 1.081 1009 S HN 0.807 nan 8.310 nan 0.000 0.476 1010 P HA 0.344 nan 4.420 nan 0.000 0.274 1010 P C 0.019 177.347 177.300 0.047 0.000 1.246 1010 P CA -0.559 62.568 63.100 0.044 0.000 0.795 1010 P CB 0.305 32.014 31.700 0.015 0.000 1.006 1011 V N -0.718 119.233 119.914 0.061 0.000 3.096 1011 V HA 0.173 4.253 4.120 -0.067 0.000 0.306 1011 V C 0.213 176.310 176.094 0.006 0.000 1.088 1011 V CA -0.606 61.722 62.300 0.048 0.000 1.129 1011 V CB 0.909 32.773 31.823 0.067 0.000 1.014 1011 V HN 0.411 nan 8.190 nan 0.000 0.486 1012 V N 4.720 124.628 119.914 -0.011 0.000 2.304 1012 V HA 0.459 4.539 4.120 -0.067 0.000 0.278 1012 V C -0.061 176.006 176.094 -0.044 0.000 1.018 1012 V CA -0.357 61.920 62.300 -0.038 0.000 0.814 1012 V CB 1.299 33.092 31.823 -0.049 0.000 1.021 1012 V HN 0.879 nan 8.190 nan 0.000 0.440 1013 V N 10.698 130.580 119.914 -0.054 0.000 2.508 1013 V HA 0.302 4.382 4.120 -0.067 0.000 0.281 1013 V C -1.723 174.346 176.094 -0.043 0.000 1.041 1013 V CA -1.221 61.049 62.300 -0.049 0.000 1.016 1013 V CB 1.243 33.033 31.823 -0.055 0.000 0.984 1013 V HN 0.801 nan 8.190 nan 0.000 0.478 1014 P HA 0.069 nan 4.420 nan 0.000 0.268 1014 P C -0.669 176.649 177.300 0.030 0.000 1.205 1014 P CA -0.440 62.658 63.100 -0.003 0.000 0.771 1014 P CB 0.689 32.390 31.700 0.001 0.000 0.858 1015 M N 4.483 124.130 119.600 0.077 0.000 2.080 1015 M HA 0.303 4.743 4.480 -0.067 0.000 0.350 1015 M C -0.960 175.403 176.300 0.105 0.000 1.173 1015 M CA -0.694 54.682 55.300 0.127 0.000 1.052 1015 M CB -0.353 32.401 32.600 0.257 0.000 1.577 1015 M HN 0.153 nan 8.290 nan 0.000 0.455 1016 L N 2.890 124.155 121.223 0.071 0.000 2.257 1016 L HA 1.136 5.436 4.340 -0.067 0.000 0.257 1016 L C 0.073 176.964 176.870 0.035 0.000 1.033 1016 L CA -0.836 54.032 54.840 0.047 0.000 0.835 1016 L CB 0.790 42.867 42.059 0.030 0.000 1.398 1016 L HN 0.590 nan 8.230 nan 0.000 0.429 1017 G N -0.035 108.775 108.800 0.017 0.000 2.432 1017 G HA2 0.635 4.555 3.960 -0.067 0.000 0.331 1017 G HA3 0.635 4.555 3.960 -0.067 0.000 0.331 1017 G C -1.185 173.706 174.900 -0.015 0.000 1.170 1017 G CA -0.762 44.340 45.100 0.002 0.000 0.943 1017 G HN 0.420 nan 8.290 nan 0.000 0.483 1018 L N 1.291 122.494 121.223 -0.033 0.000 2.410 1018 L HA 0.242 4.542 4.340 -0.067 0.000 0.273 1018 L C 0.320 177.157 176.870 -0.056 0.000 1.152 1018 L CA -0.252 54.553 54.840 -0.059 0.000 0.855 1018 L CB 1.097 43.097 42.059 -0.100 0.000 1.129 1018 L HN 0.340 nan 8.230 nan 0.000 0.463 1019 Q N 5.508 125.274 119.800 -0.055 0.000 2.274 1019 Q HA 0.387 4.687 4.340 -0.067 0.000 0.256 1019 Q C -1.944 174.020 176.000 -0.061 0.000 0.927 1019 Q CA -1.913 53.862 55.803 -0.047 0.000 0.939 1019 Q CB 0.918 29.635 28.738 -0.035 0.000 1.201 1019 Q HN 0.410 nan 8.270 nan 0.000 0.426 1020 P HA 0.000 nan 4.420 nan 0.000 0.216 1020 P CA 0.000 63.066 63.100 -0.056 0.000 0.800 1020 P CB 0.000 31.677 31.700 -0.038 0.000 0.726