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 1n8q_1_A DATA FIRST_RESID 9 DATA SEQUENCE GHKIKGTVVL MRKNVLDVNS VTSVGGIIGQ GLDLVGSTLD TLTAFLGRSV DATA SEQUENCE SLQLISATKA DANGKGKLGK ATFLEGIITS LPTLGAGQSA FKINFEWDDG DATA SEQUENCE SGIPGAFYIK NFMQTEFFLV SLTLEDIPNH GSIHFVCNSW IYNAKLFKSD DATA SEQUENCE RIFFANQTYL PSETPAPLVK YREEELHNLR GDGTGERKEW ERIYDYDVYN DATA SEQUENCE DLGDPDKGEN HARPVLGGND TFPYPRRGRT GRKPTRKDPN SESRSNDVYL DATA SEQUENCE PRDEAFGHLK SSDFLTYGLK SVSQNVLPLL QSAFDLNFTP REFDSFDEVH DATA SEQUENCE GLYSGGIKLP TDIISKISPL PVLKEIFRTD GEQALKFPPP KVIQVSKSAW DATA SEQUENCE MTDEEFAREM LAGVNPNLIR CLKDFPPRSK LDSQVYGDHT SQITKEHLEP DATA SEQUENCE NLEGLTVDEA IQNKRLFLLD HHDPIMPYLR RINATSTKAY ATRTILFLKN DATA SEQUENCE DGTLRPLAIE LSLPHPQGDQ SGAFSQVFLP ADEGVESSIW LLAKAYVVVN DATA SEQUENCE DSCYHQLVSH WLNTHAVVEP FIIATNRHLS VVHPIYKLLH PHYRDTMNIN DATA SEQUENCE GLARLSLVND GGVIEQTFLW GRYSVEMSAV VYKDWVFTDQ ALPADLIKRG DATA SEQUENCE MAIEDPSCPH GIRLVIEDYP YTVDGLEIWD AIKTWVHEYV FLYYKSDDTL DATA SEQUENCE REDPELQACW KELVEVGHGD KKNEPWWPKM QTREELVEAC AIIIWTASAL DATA SEQUENCE HAAVNFGQYP YGGLILNRPT LSRRFMPEKG SAEYEELRKN PQKAYLKTIT DATA SEQUENCE PKFQTLIDLS VIEILSRHAS DEVYLGERDN PNWTSDTRAL EAFKRFGNKL DATA SEQUENCE AQIENKLSER NNDEKLRNRC GPVQMPYTLL LPSSKEGLTF RGIPNSISI 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 9 G HA2 0.000 nan 3.960 nan 0.000 0.244 9 G HA3 0.000 3.971 3.960 0.018 0.000 0.244 9 G C 0.000 175.019 174.900 0.199 0.000 0.946 9 G CA 0.000 45.164 45.100 0.106 0.000 0.502 10 H N -0.349 118.785 119.070 0.108 0.000 3.042 10 H HA 0.644 5.211 4.556 0.018 0.000 0.346 10 H C -1.296 174.119 175.328 0.144 0.000 1.294 10 H CA -0.675 55.444 56.048 0.117 0.000 1.141 10 H CB 1.916 31.758 29.762 0.134 0.000 1.872 10 H HN 0.440 nan 8.280 nan 0.000 0.541 11 K N 2.932 123.037 120.400 -0.492 0.000 2.240 11 K HA 0.399 4.730 4.320 0.018 0.000 0.271 11 K C -0.390 176.007 176.600 -0.338 0.000 1.018 11 K CA -0.491 55.625 56.287 -0.284 0.000 0.874 11 K CB 0.814 33.193 32.500 -0.202 0.000 1.098 11 K HN 0.414 nan 8.250 nan 0.000 0.458 12 I N 3.850 124.411 120.570 -0.014 0.000 2.395 12 I HA 0.108 4.288 4.170 0.018 0.000 0.289 12 I C -0.104 176.055 176.117 0.069 0.000 1.023 12 I CA -0.540 60.793 61.300 0.055 0.000 1.350 12 I CB 1.116 39.144 38.000 0.047 0.000 1.409 12 I HN 0.330 nan 8.210 nan 0.000 0.507 13 K N 4.500 124.917 120.400 0.029 0.000 2.248 13 K HA 0.441 4.772 4.320 0.018 0.000 0.281 13 K C 0.045 176.661 176.600 0.026 0.000 1.054 13 K CA -0.156 56.136 56.287 0.009 0.000 0.903 13 K CB 1.529 34.019 32.500 -0.016 0.000 1.077 13 K HN 0.732 nan 8.250 nan 0.000 0.474 14 G N 1.301 110.122 108.800 0.035 0.000 2.388 14 G HA2 0.430 4.401 3.960 0.018 0.000 0.330 14 G HA3 0.430 4.401 3.960 0.018 0.000 0.330 14 G C -0.855 174.024 174.900 -0.034 0.000 1.142 14 G CA -0.423 44.701 45.100 0.041 0.000 0.908 14 G HN 0.429 nan 8.290 nan 0.000 0.473 15 T N 1.185 115.709 114.554 -0.049 0.000 2.809 15 T HA 0.453 4.814 4.350 0.018 0.000 0.284 15 T C -0.393 174.272 174.700 -0.059 0.000 0.992 15 T CA -0.274 61.796 62.100 -0.051 0.000 0.957 15 T CB 1.635 70.472 68.868 -0.051 0.000 0.942 15 T HN 0.302 nan 8.240 nan 0.000 0.439 16 V N 4.354 124.247 119.914 -0.035 0.000 2.398 16 V HA 0.496 4.627 4.120 0.018 0.000 0.286 16 V C -0.144 175.952 176.094 0.004 0.000 1.026 16 V CA -0.661 61.618 62.300 -0.035 0.000 0.868 16 V CB 1.767 33.579 31.823 -0.018 0.000 0.982 16 V HN 0.667 nan 8.190 nan 0.000 0.443 17 V N 6.777 126.679 119.914 -0.020 0.000 2.459 17 V HA 0.639 4.770 4.120 0.018 0.000 0.295 17 V C -0.314 175.770 176.094 -0.018 0.000 1.029 17 V CA -0.429 61.860 62.300 -0.019 0.000 0.874 17 V CB 1.548 33.360 31.823 -0.019 0.000 0.985 17 V HN 0.788 nan 8.190 nan 0.000 0.438 18 L N 3.109 124.325 121.223 -0.012 0.000 2.341 18 L HA 0.853 5.204 4.340 0.018 0.000 0.254 18 L C -0.744 176.139 176.870 0.021 0.000 1.040 18 L CA -0.894 53.944 54.840 -0.004 0.000 0.837 18 L CB 2.113 44.121 42.059 -0.085 0.000 1.425 18 L HN 0.493 nan 8.230 nan 0.000 0.414 19 M N 0.584 120.246 119.600 0.104 0.000 2.393 19 M HA 0.591 5.082 4.480 0.018 0.000 0.316 19 M C -0.470 175.925 176.300 0.157 0.000 1.087 19 M CA -0.515 54.845 55.300 0.100 0.000 0.937 19 M CB 2.382 35.049 32.600 0.111 0.000 1.668 19 M HN 0.591 nan 8.290 nan 0.000 0.438 20 R N 0.942 121.537 120.500 0.157 0.000 2.641 20 R HA 0.073 4.424 4.340 0.018 0.000 0.269 20 R C 1.081 177.570 176.300 0.315 0.000 1.074 20 R CA -0.168 56.101 56.100 0.281 0.000 1.133 20 R CB 0.698 31.146 30.300 0.247 0.000 1.029 20 R HN 0.531 nan 8.270 nan 0.000 0.488 21 K N 1.995 122.640 120.400 0.408 0.000 2.097 21 K HA -0.126 4.205 4.320 0.018 0.000 0.205 21 K C 0.866 177.651 176.600 0.307 0.000 1.050 21 K CA 1.697 58.269 56.287 0.474 0.000 0.938 21 K CB 0.045 32.784 32.500 0.398 0.000 0.718 21 K HN 0.502 nan 8.250 nan 0.000 0.442 22 N N 0.254 119.087 118.700 0.222 0.000 2.443 22 N HA -0.118 4.633 4.740 0.018 0.000 0.184 22 N C 1.297 176.895 175.510 0.147 0.000 1.037 22 N CA 1.147 54.289 53.050 0.153 0.000 0.896 22 N CB 0.155 38.719 38.487 0.128 0.000 0.959 22 N HN 0.071 nan 8.380 nan 0.000 0.442 23 V N 0.621 120.637 119.914 0.169 0.000 3.174 23 V HA 0.104 4.235 4.120 0.018 0.000 0.254 23 V C 1.756 177.949 176.094 0.165 0.000 1.120 23 V CA 0.662 63.045 62.300 0.139 0.000 1.114 23 V CB 0.182 32.072 31.823 0.112 0.000 0.756 23 V HN 0.199 nan 8.190 nan 0.000 0.467 24 L N -0.933 120.423 121.223 0.221 0.000 2.817 24 L HA 0.330 4.681 4.340 0.018 0.000 0.248 24 L C 0.218 177.319 176.870 0.385 0.000 1.133 24 L CA 0.029 55.033 54.840 0.273 0.000 0.935 24 L CB 0.641 42.859 42.059 0.265 0.000 1.266 24 L HN 0.242 nan 8.230 nan 0.000 0.535 25 D N -0.473 120.078 120.400 0.251 0.000 2.210 25 D HA 0.077 4.728 4.640 0.018 0.000 0.249 25 D C 0.940 177.153 176.300 -0.145 0.000 1.078 25 D CA -0.029 54.029 54.000 0.097 0.000 0.875 25 D CB 2.309 43.127 40.800 0.031 0.000 1.175 25 D HN -0.203 nan 8.370 nan 0.000 0.440 26 V N 4.736 124.290 119.914 -0.600 0.000 2.324 26 V HA -0.249 3.882 4.120 0.018 0.000 0.250 26 V C 1.529 177.273 176.094 -0.583 0.000 1.060 26 V CA 1.965 63.565 62.300 -1.166 0.000 1.042 26 V CB -0.490 30.280 31.823 -1.754 0.000 0.650 26 V HN 0.601 nan 8.190 nan 0.000 0.450 27 N N 0.016 118.505 118.700 -0.353 0.000 2.166 27 N HA -0.116 4.635 4.740 0.018 0.000 0.186 27 N C 1.919 177.362 175.510 -0.112 0.000 1.019 27 N CA 1.809 54.745 53.050 -0.190 0.000 0.856 27 N CB -0.265 38.162 38.487 -0.099 0.000 0.993 27 N HN 0.516 nan 8.380 nan 0.000 0.426 28 S N 0.494 116.147 115.700 -0.079 0.000 2.395 28 S HA 0.023 4.504 4.470 0.018 0.000 0.225 28 S C 2.006 176.598 174.600 -0.013 0.000 1.027 28 S CA 0.196 58.385 58.200 -0.018 0.000 0.965 28 S CB -0.018 63.198 63.200 0.027 0.000 0.812 28 S HN 0.047 nan 8.310 nan 0.000 0.482 29 V N 3.143 123.039 119.914 -0.030 0.000 3.573 29 V HA -0.063 4.068 4.120 0.018 0.000 0.270 29 V C 2.457 178.555 176.094 0.007 0.000 1.221 29 V CA 1.521 63.838 62.300 0.028 0.000 1.163 29 V CB -1.045 30.859 31.823 0.135 0.000 0.847 29 V HN 0.766 nan 8.190 nan 0.000 0.468 30 T N -1.622 112.899 114.554 -0.056 0.000 2.778 30 T HA -0.213 4.148 4.350 0.018 0.000 0.269 30 T C 1.748 176.455 174.700 0.012 0.000 1.050 30 T CA 1.717 63.798 62.100 -0.030 0.000 1.137 30 T CB -0.558 68.280 68.868 -0.049 0.000 0.860 30 T HN 0.641 nan 8.240 nan 0.000 0.468 31 S N 0.058 115.767 115.700 0.016 0.000 2.701 31 S HA 0.334 4.815 4.470 0.018 0.000 0.220 31 S C 0.220 174.842 174.600 0.037 0.000 0.954 31 S CA -0.666 57.550 58.200 0.027 0.000 0.936 31 S CB -0.290 62.924 63.200 0.023 0.000 0.777 31 S HN 0.330 nan 8.310 nan 0.000 0.518 32 V N 1.021 120.965 119.914 0.049 0.000 2.445 32 V HA 0.708 4.839 4.120 0.018 0.000 0.283 32 V C 0.568 176.708 176.094 0.075 0.000 1.014 32 V CA -0.031 62.306 62.300 0.061 0.000 0.852 32 V CB 0.907 32.772 31.823 0.069 0.000 1.021 32 V HN 0.433 nan 8.190 nan 0.000 0.435 33 G N 2.775 111.613 108.800 0.064 0.000 4.247 33 G HA2 0.423 4.394 3.960 0.018 0.000 0.231 33 G HA3 0.423 4.394 3.960 0.018 0.000 0.231 33 G C 0.285 175.217 174.900 0.054 0.000 1.079 33 G CA 0.450 45.591 45.100 0.069 0.000 0.850 33 G HN 0.949 nan 8.290 nan 0.000 0.435 34 G N 0.995 109.822 108.800 0.044 0.000 2.626 34 G HA2 0.520 4.491 3.960 0.018 0.000 0.304 34 G HA3 0.520 4.491 3.960 0.018 0.000 0.304 34 G C 0.156 175.075 174.900 0.031 0.000 1.385 34 G CA -0.741 44.380 45.100 0.035 0.000 0.957 34 G HN 0.516 nan 8.290 nan 0.000 0.504 35 I N 2.685 123.272 120.570 0.029 0.000 6.364 35 I HA -0.215 3.966 4.170 0.018 0.000 0.126 35 I C 0.378 176.512 176.117 0.029 0.000 1.442 35 I CA 0.257 61.572 61.300 0.026 0.000 2.500 35 I CB -1.560 36.452 38.000 0.020 0.000 2.730 35 I HN 0.333 nan 8.210 nan 0.000 0.290 36 I N 3.366 123.956 120.570 0.034 0.000 4.584 36 I HA 0.344 4.525 4.170 0.018 0.000 0.194 36 I C 1.958 178.094 176.117 0.032 0.000 1.597 36 I CA 1.073 62.396 61.300 0.038 0.000 1.068 36 I CB -0.302 37.728 38.000 0.050 0.000 1.773 36 I HN 0.755 nan 8.210 nan 0.000 0.765 37 G N 1.115 109.935 108.800 0.034 0.000 2.380 37 G HA2 -0.271 3.700 3.960 0.018 0.000 0.298 37 G HA3 -0.271 3.700 3.960 0.018 0.000 0.298 37 G C 0.127 175.042 174.900 0.024 0.000 0.989 37 G CA 1.177 46.294 45.100 0.029 0.000 0.836 37 G HN 0.597 nan 8.290 nan 0.000 0.511 38 Q N -2.716 117.099 119.800 0.026 0.000 2.814 38 Q HA 0.609 4.960 4.340 0.018 0.000 0.322 38 Q C 0.193 176.206 176.000 0.022 0.000 0.861 38 Q CA 0.546 56.362 55.803 0.021 0.000 0.773 38 Q CB 1.431 30.181 28.738 0.020 0.000 1.423 38 Q HN 1.683 nan 8.270 nan 0.000 0.495 39 G N 0.830 109.640 108.800 0.018 0.000 2.953 39 G HA2 -0.087 3.884 3.960 0.018 0.000 0.203 39 G HA3 -0.087 3.884 3.960 0.018 0.000 0.203 39 G C -0.311 174.596 174.900 0.012 0.000 1.094 39 G CA -0.186 44.925 45.100 0.018 0.000 1.016 39 G HN 0.925 nan 8.290 nan 0.000 0.535 40 L N -0.559 120.668 121.223 0.008 0.000 3.678 40 L HA -0.226 4.125 4.340 0.018 0.000 0.425 40 L C 1.103 177.972 176.870 -0.001 0.000 1.240 40 L CA 1.018 55.859 54.840 0.003 0.000 0.876 40 L CB -1.287 40.773 42.059 0.001 0.000 1.766 40 L HN 1.140 nan 8.230 nan 0.000 0.917 41 D N 0.126 120.527 120.400 0.002 0.000 4.262 41 D HA -0.172 4.479 4.640 0.018 0.000 0.186 41 D C 0.430 176.726 176.300 -0.005 0.000 1.090 41 D CA 0.239 54.241 54.000 0.003 0.000 0.711 41 D CB 0.624 41.427 40.800 0.004 0.000 1.194 41 D HN 0.102 nan 8.370 nan 0.000 0.627 42 L N 3.785 125.008 121.223 -0.001 0.000 2.894 42 L HA -0.089 4.262 4.340 0.018 0.000 0.286 42 L C 1.820 178.670 176.870 -0.033 0.000 1.077 42 L CA 0.475 55.309 54.840 -0.010 0.000 1.070 42 L CB -0.951 41.110 42.059 0.002 0.000 1.470 42 L HN 0.648 nan 8.230 nan 0.000 0.452 43 V N 0.789 120.677 119.914 -0.044 0.000 2.951 43 V HA 0.309 4.440 4.120 0.018 0.000 0.255 43 V C 1.264 177.292 176.094 -0.111 0.000 1.088 43 V CA 0.745 63.002 62.300 -0.072 0.000 1.109 43 V CB -0.219 31.566 31.823 -0.063 0.000 0.724 43 V HN 0.990 nan 8.190 nan 0.000 0.471 44 G N 0.843 109.588 108.800 -0.090 0.000 2.526 44 G HA2 0.008 3.979 3.960 0.018 0.000 0.225 44 G HA3 0.008 3.979 3.960 0.018 0.000 0.225 44 G C 0.019 174.868 174.900 -0.085 0.000 1.120 44 G CA 0.269 45.304 45.100 -0.109 0.000 0.904 44 G HN 1.949 nan 8.290 nan 0.000 0.498 45 S N -1.681 113.991 115.700 -0.046 0.000 2.325 45 S HA 0.725 5.206 4.470 0.018 0.000 0.228 45 S C -0.133 174.460 174.600 -0.012 0.000 0.942 45 S CA 0.435 58.617 58.200 -0.030 0.000 1.070 45 S CB 1.487 64.660 63.200 -0.044 0.000 1.232 45 S HN 1.747 nan 8.310 nan 0.000 0.405 46 T N 1.350 115.906 114.554 0.002 0.000 5.075 46 T HA -0.062 4.299 4.350 0.018 0.000 0.268 46 T C 0.658 175.368 174.700 0.018 0.000 2.128 46 T CA 0.663 62.768 62.100 0.008 0.000 3.428 46 T CB -1.418 67.453 68.868 0.004 0.000 0.464 46 T HN 0.392 nan 8.240 nan 0.000 0.786 47 L N 1.669 122.906 121.223 0.022 0.000 2.068 47 L HA 0.295 4.646 4.340 0.018 0.000 0.204 47 L C 0.868 177.765 176.870 0.044 0.000 1.076 47 L CA 1.227 56.087 54.840 0.033 0.000 0.753 47 L CB -0.249 41.832 42.059 0.036 0.000 0.910 47 L HN 0.472 nan 8.230 nan 0.000 0.439 48 D N 1.315 121.742 120.400 0.046 0.000 3.478 48 D HA -0.168 4.483 4.640 0.018 0.000 0.219 48 D C 0.266 176.619 176.300 0.088 0.000 1.143 48 D CA 0.870 54.905 54.000 0.058 0.000 1.047 48 D CB 0.234 41.057 40.800 0.039 0.000 0.820 48 D HN 0.457 nan 8.370 nan 0.000 0.393 49 T N 0.669 115.303 114.554 0.133 0.000 3.248 49 T HA 0.238 4.599 4.350 0.018 0.000 0.271 49 T C 1.861 176.732 174.700 0.284 0.000 1.005 49 T CA -0.627 61.576 62.100 0.172 0.000 0.902 49 T CB 0.292 69.267 68.868 0.180 0.000 1.102 49 T HN 0.360 nan 8.240 nan 0.000 0.548 50 L N 0.760 122.131 121.223 0.247 0.000 2.341 50 L HA 0.030 4.381 4.340 0.018 0.000 0.214 50 L C 2.533 179.646 176.870 0.405 0.000 1.115 50 L CA 0.997 56.041 54.840 0.341 0.000 0.820 50 L CB -0.851 41.287 42.059 0.132 0.000 0.944 50 L HN 0.380 nan 8.230 nan 0.000 0.452 51 T N 0.431 115.130 114.554 0.242 0.000 2.803 51 T HA -0.169 4.192 4.350 0.018 0.000 0.269 51 T C 1.947 176.741 174.700 0.157 0.000 1.052 51 T CA 1.278 63.483 62.100 0.175 0.000 1.136 51 T CB -0.071 68.858 68.868 0.102 0.000 0.864 51 T HN 0.441 nan 8.240 nan 0.000 0.467 52 A N 0.496 123.405 122.820 0.148 0.000 2.070 52 A HA 0.010 4.341 4.320 0.018 0.000 0.220 52 A C 1.675 179.202 177.584 -0.094 0.000 1.159 52 A CA 1.102 53.138 52.037 -0.002 0.000 0.656 52 A CB -0.838 18.107 19.000 -0.092 0.000 0.800 52 A HN 0.534 nan 8.150 nan 0.000 0.453 53 F N -1.494 118.423 119.950 -0.054 0.000 2.811 53 F HA 0.131 4.668 4.527 0.017 0.000 0.301 53 F C 1.653 177.346 175.800 -0.179 0.000 1.151 53 F CA 0.193 58.065 58.000 -0.213 0.000 1.412 53 F CB 0.134 38.804 39.000 -0.550 0.000 1.113 53 F HN 0.130 nan 8.300 nan 0.000 0.579 54 L N -0.764 120.513 121.223 0.090 0.000 2.253 54 L HA 0.254 4.605 4.340 0.018 0.000 0.205 54 L C 2.324 179.218 176.870 0.040 0.000 1.078 54 L CA 1.131 56.018 54.840 0.078 0.000 0.805 54 L CB -1.308 40.817 42.059 0.109 0.000 0.963 54 L HN 0.091 nan 8.230 nan 0.000 0.459 55 G N -0.960 107.839 108.800 -0.002 0.000 2.629 55 G HA2 -0.071 3.899 3.960 0.018 0.000 0.213 55 G HA3 -0.071 3.899 3.960 0.018 0.000 0.213 55 G C 0.787 175.583 174.900 -0.173 0.000 1.425 55 G CA -0.102 44.954 45.100 -0.074 0.000 0.929 55 G HN 0.076 nan 8.290 nan 0.000 0.527 56 R N 0.588 120.951 120.500 -0.229 0.000 2.903 56 R HA 0.472 4.823 4.340 0.018 0.000 0.363 56 R C 0.677 176.968 176.300 -0.015 0.000 1.161 56 R CA -0.102 55.707 56.100 -0.483 0.000 1.109 56 R CB 0.684 30.664 30.300 -0.532 0.000 1.399 56 R HN 0.278 nan 8.270 nan 0.000 0.587 57 S N -0.880 114.970 115.700 0.249 0.000 2.566 57 S HA 0.204 4.685 4.470 0.018 0.000 0.234 57 S C 0.551 175.448 174.600 0.496 0.000 1.075 57 S CA 0.283 58.666 58.200 0.304 0.000 0.926 57 S CB 1.009 64.256 63.200 0.077 0.000 0.811 57 S HN 0.028 nan 8.310 nan 0.000 0.518 58 V N 2.580 122.774 119.914 0.466 0.000 2.569 58 V HA 0.598 4.729 4.120 0.018 0.000 0.301 58 V C -0.679 175.478 176.094 0.105 0.000 1.044 58 V CA -0.825 61.638 62.300 0.270 0.000 0.874 58 V CB 1.643 33.540 31.823 0.124 0.000 1.002 58 V HN 0.365 nan 8.190 nan 0.000 0.424 59 S N 5.620 121.270 115.700 -0.083 0.000 2.503 59 S HA 0.908 5.389 4.470 0.018 0.000 0.301 59 S C -1.166 173.363 174.600 -0.118 0.000 1.087 59 S CA -0.633 57.311 58.200 -0.428 0.000 1.042 59 S CB 1.777 64.576 63.200 -0.669 0.000 1.043 59 S HN 0.425 nan 8.310 nan 0.000 0.489 60 L N 2.147 123.337 121.223 -0.055 0.000 2.362 60 L HA 0.640 4.991 4.340 0.018 0.000 0.271 60 L C -0.349 176.659 176.870 0.230 0.000 1.002 60 L CA -0.169 54.763 54.840 0.154 0.000 0.818 60 L CB 2.124 44.291 42.059 0.179 0.000 1.298 60 L HN 0.918 nan 8.230 nan 0.000 0.420 61 Q N 2.472 122.408 119.800 0.226 0.000 2.295 61 Q HA 0.472 4.823 4.340 0.018 0.000 0.259 61 Q C -1.601 174.435 176.000 0.061 0.000 0.966 61 Q CA -0.771 55.143 55.803 0.184 0.000 0.763 61 Q CB 1.493 30.363 28.738 0.220 0.000 1.283 61 Q HN 0.420 nan 8.270 nan 0.000 0.445 62 L N 4.125 125.287 121.223 -0.102 0.000 2.439 62 L HA 0.383 4.734 4.340 0.018 0.000 0.269 62 L C -0.380 176.460 176.870 -0.050 0.000 1.179 62 L CA 0.532 55.203 54.840 -0.282 0.000 0.828 62 L CB 0.914 42.545 42.059 -0.713 0.000 1.106 62 L HN 0.646 nan 8.230 nan 0.000 0.467 63 I N 1.455 121.949 120.570 -0.128 0.000 2.447 63 I HA 0.197 4.378 4.170 0.018 0.000 0.287 63 I C 0.059 176.210 176.117 0.057 0.000 1.023 63 I CA -0.417 60.822 61.300 -0.100 0.000 1.083 63 I CB 1.898 39.587 38.000 -0.517 0.000 1.245 63 I HN 0.502 nan 8.210 nan 0.000 0.434 64 S N 3.793 119.652 115.700 0.266 0.000 2.549 64 S HA 0.316 4.797 4.470 0.018 0.000 0.283 64 S C 1.115 175.812 174.600 0.162 0.000 1.320 64 S CA 0.087 58.479 58.200 0.321 0.000 1.058 64 S CB 1.137 64.503 63.200 0.277 0.000 0.882 64 S HN 0.736 nan 8.310 nan 0.000 0.498 65 A N 3.398 126.308 122.820 0.150 0.000 2.081 65 A HA 0.106 4.437 4.320 0.018 0.000 0.214 65 A C 1.914 179.543 177.584 0.076 0.000 1.158 65 A CA 1.201 53.301 52.037 0.105 0.000 0.724 65 A CB -0.426 18.636 19.000 0.103 0.000 0.826 65 A HN 0.938 nan 8.150 nan 0.000 0.463 66 T N -4.611 109.994 114.554 0.085 0.000 2.975 66 T HA 0.350 4.711 4.350 0.018 0.000 0.257 66 T C 0.240 174.962 174.700 0.038 0.000 1.003 66 T CA -0.033 62.095 62.100 0.047 0.000 0.932 66 T CB 0.169 69.057 68.868 0.033 0.000 1.087 66 T HN 0.048 nan 8.240 nan 0.000 0.512 67 K N 1.613 122.044 120.400 0.050 0.000 2.413 67 K HA 0.823 5.154 4.320 0.018 0.000 0.257 67 K C -0.684 175.937 176.600 0.035 0.000 0.946 67 K CA -0.311 55.988 56.287 0.020 0.000 0.823 67 K CB 1.855 34.342 32.500 -0.020 0.000 1.109 67 K HN 0.367 nan 8.250 nan 0.000 0.427 68 A N 2.238 125.075 122.820 0.028 0.000 2.269 68 A HA 0.584 4.915 4.320 0.018 0.000 0.327 68 A C -0.432 177.169 177.584 0.027 0.000 1.112 68 A CA -0.531 51.531 52.037 0.042 0.000 0.865 68 A CB 0.454 19.473 19.000 0.032 0.000 1.227 68 A HN 0.811 nan 8.150 nan 0.000 0.498 69 D N -0.445 119.977 120.400 0.036 0.000 2.539 69 D HA 0.509 5.160 4.640 0.018 0.000 0.280 69 D C 1.253 177.560 176.300 0.012 0.000 1.208 69 D CA 0.204 54.218 54.000 0.024 0.000 1.088 69 D CB 0.105 40.927 40.800 0.036 0.000 1.149 69 D HN 0.472 nan 8.370 nan 0.000 0.596 70 A N -0.470 122.355 122.820 0.008 0.000 1.873 70 A HA -0.214 4.117 4.320 0.018 0.000 0.218 70 A C 1.569 179.153 177.584 -0.002 0.000 1.193 70 A CA 1.568 53.607 52.037 0.002 0.000 0.629 70 A CB -0.824 18.177 19.000 0.003 0.000 0.826 70 A HN 0.589 nan 8.150 nan 0.000 0.447 71 N N -0.837 117.861 118.700 -0.003 0.000 2.839 71 N HA 0.316 5.067 4.740 0.018 0.000 0.314 71 N C 0.893 176.390 175.510 -0.022 0.000 1.449 71 N CA 0.872 53.914 53.050 -0.013 0.000 1.050 71 N CB 0.326 38.803 38.487 -0.017 0.000 1.364 71 N HN 0.612 nan 8.380 nan 0.000 0.512 72 G N 0.446 109.239 108.800 -0.013 0.000 2.320 72 G HA2 -0.282 3.689 3.960 0.018 0.000 0.242 72 G HA3 -0.282 3.689 3.960 0.018 0.000 0.242 72 G C 0.312 175.207 174.900 -0.008 0.000 1.033 72 G CA -0.040 45.050 45.100 -0.015 0.000 0.620 72 G HN 0.400 nan 8.290 nan 0.000 0.517 73 K N 1.407 121.794 120.400 -0.021 0.000 2.218 73 K HA 0.487 4.818 4.320 0.018 0.000 0.276 73 K C 1.087 177.778 176.600 0.151 0.000 1.022 73 K CA -0.009 56.267 56.287 -0.018 0.000 0.946 73 K CB 0.923 33.333 32.500 -0.151 0.000 1.000 73 K HN 0.401 nan 8.250 nan 0.000 0.468 74 G N 2.696 111.710 108.800 0.357 0.000 2.178 74 G HA2 -0.148 3.823 3.960 0.018 0.000 0.244 74 G HA3 -0.148 3.823 3.960 0.018 0.000 0.244 74 G C -0.218 174.829 174.900 0.246 0.000 1.213 74 G CA -0.011 45.273 45.100 0.307 0.000 0.912 74 G HN 0.555 nan 8.290 nan 0.000 0.474 75 K N 1.550 122.035 120.400 0.141 0.000 2.472 75 K HA 0.074 4.405 4.320 0.018 0.000 0.280 75 K C 0.132 176.809 176.600 0.128 0.000 1.028 75 K CA -0.319 56.025 56.287 0.095 0.000 1.045 75 K CB 0.164 32.663 32.500 -0.001 0.000 0.902 75 K HN 0.246 nan 8.250 nan 0.000 0.478 76 L N 3.716 125.021 121.223 0.137 0.000 2.305 76 L HA 0.262 4.613 4.340 0.018 0.000 0.281 76 L C 1.024 177.993 176.870 0.165 0.000 1.085 76 L CA 0.453 55.394 54.840 0.168 0.000 0.813 76 L CB 1.390 43.564 42.059 0.191 0.000 1.157 76 L HN 0.806 nan 8.230 nan 0.000 0.436 77 G N 2.350 111.311 108.800 0.268 0.000 2.494 77 G HA2 0.299 4.270 3.960 0.018 0.000 0.270 77 G HA3 0.299 4.270 3.960 0.018 0.000 0.270 77 G C -0.536 174.495 174.900 0.218 0.000 1.423 77 G CA -0.622 44.656 45.100 0.297 0.000 1.055 77 G HN 0.505 nan 8.290 nan 0.000 0.536 78 K N 0.064 120.603 120.400 0.231 0.000 2.172 78 K HA 0.528 4.859 4.320 0.018 0.000 0.276 78 K C 0.228 176.937 176.600 0.182 0.000 1.013 78 K CA -0.267 56.128 56.287 0.180 0.000 0.913 78 K CB 1.625 34.220 32.500 0.158 0.000 1.055 78 K HN 0.518 nan 8.250 nan 0.000 0.461 79 A N 2.731 125.629 122.820 0.130 0.000 2.522 79 A HA 0.139 4.470 4.320 0.018 0.000 0.256 79 A C -0.276 177.299 177.584 -0.016 0.000 1.086 79 A CA 0.329 52.396 52.037 0.051 0.000 0.763 79 A CB -0.124 18.892 19.000 0.026 0.000 1.024 79 A HN 0.622 nan 8.150 nan 0.000 0.502 80 T N 2.691 117.187 114.554 -0.097 0.000 2.863 80 T HA 0.619 4.980 4.350 0.018 0.000 0.285 80 T C -0.659 173.868 174.700 -0.289 0.000 1.009 80 T CA -0.067 61.968 62.100 -0.109 0.000 0.989 80 T CB 0.767 69.545 68.868 -0.150 0.000 1.004 80 T HN 0.363 nan 8.240 nan 0.000 0.455 81 F N 1.228 121.151 119.950 -0.044 0.000 2.483 81 F HA 0.533 5.071 4.527 0.018 0.000 0.329 81 F C 0.061 175.805 175.800 -0.094 0.000 1.064 81 F CA -1.346 56.636 58.000 -0.029 0.000 0.986 81 F CB 0.720 39.720 39.000 -0.000 0.000 1.218 81 F HN 0.198 nan 8.300 nan 0.000 0.484 82 L N 2.254 123.531 121.223 0.090 0.000 2.513 82 L HA 0.017 4.368 4.340 0.018 0.000 0.272 82 L C 1.272 178.166 176.870 0.040 0.000 1.187 82 L CA 0.360 55.195 54.840 -0.009 0.000 0.895 82 L CB 0.060 42.057 42.059 -0.102 0.000 1.147 82 L HN 0.717 nan 8.230 nan 0.000 0.483 83 E N 2.040 122.247 120.200 0.013 0.000 2.460 83 E HA 0.365 4.725 4.350 0.018 0.000 0.200 83 E C 0.643 177.271 176.600 0.047 0.000 1.011 83 E CA 0.341 56.754 56.400 0.022 0.000 0.912 83 E CB 0.644 30.333 29.700 -0.018 0.000 0.953 83 E HN 0.618 nan 8.360 nan 0.000 0.494 84 G N 0.950 109.804 108.800 0.090 0.000 2.601 84 G HA2 0.462 4.433 3.960 0.018 0.000 0.291 84 G HA3 0.462 4.433 3.960 0.018 0.000 0.291 84 G C -1.542 173.422 174.900 0.107 0.000 1.456 84 G CA -1.016 44.135 45.100 0.085 0.000 0.804 84 G HN 0.040 nan 8.290 nan 0.000 0.499 85 I N 0.741 121.319 120.570 0.012 0.000 2.365 85 I HA 0.354 4.535 4.170 0.018 0.000 0.291 85 I C 0.009 176.011 176.117 -0.191 0.000 1.004 85 I CA -0.447 60.739 61.300 -0.190 0.000 1.311 85 I CB 1.483 39.383 38.000 -0.167 0.000 1.401 85 I HN 0.212 nan 8.210 nan 0.000 0.491 86 I N 5.756 126.160 120.570 -0.276 0.000 2.304 86 I HA 0.097 4.278 4.170 0.018 0.000 0.291 86 I C 1.259 177.251 176.117 -0.209 0.000 1.018 86 I CA -0.068 61.117 61.300 -0.193 0.000 1.260 86 I CB 1.499 39.399 38.000 -0.168 0.000 1.390 86 I HN 0.711 nan 8.210 nan 0.000 0.475 87 T N 1.000 115.468 114.554 -0.144 0.000 2.995 87 T HA -0.001 4.360 4.350 0.018 0.000 0.269 87 T C 0.732 175.368 174.700 -0.108 0.000 1.091 87 T CA 0.192 62.216 62.100 -0.127 0.000 1.128 87 T CB 0.087 68.903 68.868 -0.087 0.000 0.891 87 T HN 0.477 nan 8.240 nan 0.000 0.492 88 S N -0.336 115.307 115.700 -0.095 0.000 2.542 88 S HA 0.633 5.114 4.470 0.018 0.000 0.276 88 S C -2.309 172.253 174.600 -0.063 0.000 1.148 88 S CA -0.824 57.333 58.200 -0.071 0.000 0.886 88 S CB 1.332 64.501 63.200 -0.052 0.000 1.109 88 S HN 0.147 nan 8.310 nan 0.000 0.458 89 L N 4.095 125.287 121.223 -0.052 0.000 2.466 89 L HA 0.599 4.950 4.340 0.018 0.000 0.258 89 L C -1.949 174.906 176.870 -0.025 0.000 0.973 89 L CA -1.662 53.155 54.840 -0.039 0.000 0.826 89 L CB 1.631 43.664 42.059 -0.042 0.000 1.372 89 L HN 0.433 nan 8.230 nan 0.000 0.409 90 P HA 0.003 nan 4.420 nan 0.000 0.230 90 P C 0.902 178.200 177.300 -0.002 0.000 1.158 90 P CA 0.828 63.924 63.100 -0.008 0.000 0.769 90 P CB 0.431 32.129 31.700 -0.004 0.000 0.807 91 T N -1.821 112.732 114.554 -0.001 0.000 3.085 91 T HA 0.233 4.594 4.350 0.018 0.000 0.264 91 T C 1.230 175.933 174.700 0.004 0.000 1.019 91 T CA -0.298 61.807 62.100 0.008 0.000 0.910 91 T CB -0.431 68.448 68.868 0.019 0.000 1.059 91 T HN -0.102 nan 8.240 nan 0.000 0.542 92 L N 1.301 122.518 121.223 -0.010 0.000 1.933 92 L HA 0.143 4.494 4.340 0.018 0.000 0.220 92 L C 1.381 178.247 176.870 -0.007 0.000 1.078 92 L CA 1.707 56.536 54.840 -0.019 0.000 0.773 92 L CB -0.735 41.300 42.059 -0.040 0.000 0.890 92 L HN 0.562 nan 8.230 nan 0.000 0.434 93 G N -1.893 106.904 108.800 -0.004 0.000 2.712 93 G HA2 -0.040 3.931 3.960 0.018 0.000 0.686 93 G HA3 -0.040 3.931 3.960 0.018 0.000 0.686 93 G C -0.394 174.510 174.900 0.006 0.000 1.321 93 G CA -0.521 44.583 45.100 0.007 0.000 0.813 93 G HN 0.748 nan 8.290 nan 0.000 0.599 94 A N 0.366 123.195 122.820 0.014 0.000 2.450 94 A HA 0.755 5.086 4.320 0.018 0.000 0.255 94 A C 1.931 179.526 177.584 0.019 0.000 1.096 94 A CA 1.836 53.883 52.037 0.015 0.000 0.778 94 A CB 0.236 19.249 19.000 0.023 0.000 1.031 94 A HN 2.970 nan 8.150 nan 0.000 0.494 95 G N 1.395 110.205 108.800 0.016 0.000 2.179 95 G HA2 -0.222 3.749 3.960 0.018 0.000 0.260 95 G HA3 -0.222 3.749 3.960 0.018 0.000 0.260 95 G C 0.180 175.087 174.900 0.013 0.000 0.977 95 G CA 0.647 45.761 45.100 0.023 0.000 0.641 95 G HN 0.924 nan 8.290 nan 0.000 0.533 96 Q N 0.021 119.819 119.800 -0.005 0.000 2.205 96 Q HA 0.721 5.072 4.340 0.018 0.000 0.249 96 Q C -0.442 175.512 176.000 -0.077 0.000 0.948 96 Q CA -0.250 55.541 55.803 -0.021 0.000 0.895 96 Q CB 1.761 30.493 28.738 -0.010 0.000 1.249 96 Q HN 0.203 nan 8.270 nan 0.000 0.458 97 S N 0.062 115.691 115.700 -0.117 0.000 2.541 97 S HA 0.774 5.255 4.470 0.018 0.000 0.280 97 S C -1.446 172.966 174.600 -0.314 0.000 1.112 97 S CA -0.741 57.309 58.200 -0.250 0.000 0.925 97 S CB 1.852 64.893 63.200 -0.265 0.000 1.067 97 S HN 0.671 nan 8.310 nan 0.000 0.479 98 A N 1.962 124.471 122.820 -0.517 0.000 2.374 98 A HA 0.945 5.276 4.320 0.018 0.000 0.317 98 A C -1.593 175.530 177.584 -0.768 0.000 1.094 98 A CA -0.528 51.259 52.037 -0.415 0.000 0.765 98 A CB 0.710 19.564 19.000 -0.243 0.000 1.268 98 A HN 0.616 nan 8.150 nan 0.000 0.438 99 F N 0.544 120.405 119.950 -0.148 0.000 2.569 99 F HA 0.447 4.984 4.527 0.018 0.000 0.312 99 F C 0.154 175.881 175.800 -0.121 0.000 1.109 99 F CA -0.564 57.354 58.000 -0.137 0.000 0.919 99 F CB 2.515 41.420 39.000 -0.159 0.000 1.211 99 F HN 0.590 nan 8.300 nan 0.000 0.446 100 K N 3.279 123.709 120.400 0.050 0.000 2.156 100 K HA 0.815 5.146 4.320 0.018 0.000 0.271 100 K C -1.192 175.380 176.600 -0.047 0.000 0.995 100 K CA -0.665 55.611 56.287 -0.019 0.000 0.890 100 K CB 2.662 35.138 32.500 -0.040 0.000 1.073 100 K HN 0.737 nan 8.250 nan 0.000 0.454 101 I N 1.532 122.021 120.570 -0.135 0.000 2.656 101 I HA 0.273 4.454 4.170 0.018 0.000 0.292 101 I C -1.827 174.052 176.117 -0.397 0.000 1.144 101 I CA -0.799 60.324 61.300 -0.295 0.000 1.038 101 I CB 2.081 39.835 38.000 -0.410 0.000 1.244 101 I HN 0.785 nan 8.210 nan 0.000 0.420 102 N N 6.441 124.898 118.700 -0.405 0.000 2.342 102 N HA 0.537 5.288 4.740 0.018 0.000 0.293 102 N C -1.747 173.542 175.510 -0.368 0.000 1.026 102 N CA -0.500 52.371 53.050 -0.299 0.000 0.857 102 N CB 1.623 40.023 38.487 -0.145 0.000 1.256 102 N HN 0.273 nan 8.380 nan 0.000 0.484 103 F N 0.804 120.723 119.950 -0.051 0.000 2.458 103 F HA 0.271 4.808 4.527 0.018 0.000 0.336 103 F C 0.798 176.638 175.800 0.068 0.000 1.114 103 F CA -0.770 57.227 58.000 -0.004 0.000 0.987 103 F CB 1.269 40.234 39.000 -0.059 0.000 1.130 103 F HN 0.259 nan 8.300 nan 0.000 0.458 104 E N 3.795 124.166 120.200 0.285 0.000 2.299 104 E HA 0.032 4.393 4.350 0.018 0.000 0.272 104 E C -1.052 175.801 176.600 0.423 0.000 1.043 104 E CA 0.089 56.644 56.400 0.258 0.000 0.895 104 E CB 0.879 30.682 29.700 0.172 0.000 1.011 104 E HN 0.552 nan 8.360 nan 0.000 0.432 105 W N 3.419 124.781 121.300 0.104 0.000 3.296 105 W HA 0.135 4.806 4.660 0.019 0.000 0.314 105 W C -1.689 174.896 176.519 0.110 0.000 1.238 105 W CA -0.636 56.767 57.345 0.097 0.000 1.193 105 W CB 1.834 31.351 29.460 0.096 0.000 1.383 105 W HN 0.519 nan 8.180 nan 0.000 0.545 106 D N 1.251 121.567 120.400 -0.140 0.000 2.533 106 D HA 0.259 4.910 4.640 0.018 0.000 0.247 106 D C -0.829 175.426 176.300 -0.075 0.000 1.056 106 D CA -0.538 53.446 54.000 -0.028 0.000 1.054 106 D CB 0.940 41.708 40.800 -0.055 0.000 1.400 106 D HN 0.036 nan 8.370 nan 0.000 0.533 107 D N -0.330 120.070 120.400 0.000 0.000 2.417 107 D HA 0.401 5.052 4.640 0.018 0.000 0.250 107 D C 1.149 177.407 176.300 -0.071 0.000 1.166 107 D CA 0.825 54.817 54.000 -0.013 0.000 0.881 107 D CB 1.263 42.063 40.800 -0.000 0.000 1.164 107 D HN 0.744 nan 8.370 nan 0.000 0.467 108 G N 1.540 110.285 108.800 -0.092 0.000 2.380 108 G HA2 -0.250 3.721 3.960 0.018 0.000 0.197 108 G HA3 -0.250 3.721 3.960 0.018 0.000 0.197 108 G C 1.136 175.920 174.900 -0.193 0.000 1.001 108 G CA 0.071 45.101 45.100 -0.116 0.000 0.668 108 G HN 0.454 nan 8.290 nan 0.000 0.483 109 S N 0.420 115.914 115.700 -0.342 0.000 2.502 109 S HA 0.480 4.961 4.470 0.018 0.000 0.215 109 S C 1.726 176.195 174.600 -0.218 0.000 1.009 109 S CA 1.456 59.325 58.200 -0.552 0.000 0.908 109 S CB 0.559 62.892 63.200 -1.444 0.000 0.801 109 S HN 2.198 nan 8.310 nan 0.000 0.505 110 G N 1.966 110.750 108.800 -0.027 0.000 2.498 110 G HA2 -0.247 3.724 3.960 0.018 0.000 0.251 110 G HA3 -0.247 3.724 3.960 0.018 0.000 0.251 110 G C -0.460 174.696 174.900 0.426 0.000 1.170 110 G CA -0.187 45.006 45.100 0.156 0.000 0.944 110 G HN 0.372 nan 8.290 nan 0.000 0.567 111 I N 2.576 123.320 120.570 0.291 0.000 2.378 111 I HA 0.388 4.569 4.170 0.018 0.000 0.291 111 I C -2.274 173.961 176.117 0.197 0.000 0.992 111 I CA -2.088 59.330 61.300 0.197 0.000 1.154 111 I CB 2.365 40.355 38.000 -0.016 0.000 1.315 111 I HN 0.179 nan 8.210 nan 0.000 0.448 112 P HA 0.127 nan 4.420 nan 0.000 0.269 112 P C 0.523 177.869 177.300 0.077 0.000 1.209 112 P CA 0.052 63.105 63.100 -0.079 0.000 0.776 112 P CB 0.839 32.283 31.700 -0.427 0.000 0.876 113 G N 0.317 109.189 108.800 0.120 0.000 3.581 113 G HA2 0.542 4.513 3.960 0.018 0.000 0.248 113 G HA3 0.542 4.513 3.960 0.018 0.000 0.248 113 G C -0.120 174.930 174.900 0.249 0.000 1.037 113 G CA 0.482 45.686 45.100 0.173 0.000 0.902 113 G HN 0.771 nan 8.290 nan 0.000 0.512 114 A N -0.216 122.706 122.820 0.170 0.000 2.586 114 A HA 0.834 5.165 4.320 0.018 0.000 0.290 114 A C -1.769 175.724 177.584 -0.151 0.000 1.086 114 A CA -0.775 51.229 52.037 -0.056 0.000 0.665 114 A CB 0.917 19.543 19.000 -0.624 0.000 1.279 114 A HN 1.190 nan 8.150 nan 0.000 0.423 115 F N -1.754 117.908 119.950 -0.480 0.000 2.641 115 F HA 0.812 5.350 4.527 0.018 0.000 0.308 115 F C -1.847 173.737 175.800 -0.360 0.000 1.105 115 F CA -1.125 56.599 58.000 -0.462 0.000 0.964 115 F CB 0.807 39.507 39.000 -0.499 0.000 1.294 115 F HN 0.506 nan 8.300 nan 0.000 0.442 116 Y N 3.148 123.367 120.300 -0.134 0.000 2.352 116 Y HA 0.681 5.242 4.550 0.018 0.000 0.326 116 Y C -0.110 175.821 175.900 0.051 0.000 1.166 116 Y CA -1.442 56.564 58.100 -0.157 0.000 1.182 116 Y CB 1.667 40.066 38.460 -0.101 0.000 1.216 116 Y HN 0.793 nan 8.280 nan 0.000 0.474 117 I N 2.665 123.343 120.570 0.180 0.000 2.582 117 I HA 0.448 4.629 4.170 0.018 0.000 0.292 117 I C -1.541 174.573 176.117 -0.005 0.000 1.066 117 I CA -0.847 60.560 61.300 0.180 0.000 1.053 117 I CB 1.424 39.621 38.000 0.328 0.000 1.241 117 I HN 0.564 nan 8.210 nan 0.000 0.421 118 K N 5.034 125.382 120.400 -0.087 0.000 2.376 118 K HA 0.339 4.670 4.320 0.018 0.000 0.257 118 K C -1.008 175.381 176.600 -0.352 0.000 0.939 118 K CA -0.822 55.275 56.287 -0.316 0.000 0.809 118 K CB 1.554 33.730 32.500 -0.541 0.000 1.121 118 K HN 0.393 nan 8.250 nan 0.000 0.425 119 N N 2.668 121.194 118.700 -0.289 0.000 2.439 119 N HA 0.180 4.931 4.740 0.018 0.000 0.249 119 N C -0.702 174.657 175.510 -0.253 0.000 1.003 119 N CA -0.439 52.548 53.050 -0.105 0.000 0.942 119 N CB 0.334 38.809 38.487 -0.019 0.000 1.115 119 N HN 0.435 nan 8.380 nan 0.000 0.505 120 F N 1.806 121.838 119.950 0.137 0.000 2.693 120 F HA 0.299 4.837 4.527 0.018 0.000 0.303 120 F C 1.560 177.390 175.800 0.049 0.000 1.097 120 F CA 0.078 58.134 58.000 0.093 0.000 1.330 120 F CB 0.083 39.150 39.000 0.112 0.000 1.067 120 F HN 0.456 nan 8.300 nan 0.000 0.565 121 M N -0.099 119.590 119.600 0.148 0.000 2.568 121 M HA 0.011 4.502 4.480 0.018 0.000 0.226 121 M C 1.447 177.761 176.300 0.024 0.000 1.148 121 M CA 0.635 55.964 55.300 0.049 0.000 1.007 121 M CB 0.035 32.599 32.600 -0.059 0.000 1.651 121 M HN 0.414 nan 8.290 nan 0.000 0.488 122 Q N -0.535 119.292 119.800 0.046 0.000 3.303 122 Q HA -0.198 4.153 4.340 0.018 0.000 0.206 122 Q C -0.413 175.602 176.000 0.025 0.000 2.771 122 Q CA 1.998 57.819 55.803 0.029 0.000 0.261 122 Q CB -1.279 27.470 28.738 0.019 0.000 0.203 122 Q HN 0.402 nan 8.270 nan 0.000 0.468 123 T N 3.367 117.936 114.554 0.025 0.000 2.806 123 T HA 0.277 4.638 4.350 0.018 0.000 0.290 123 T C -0.343 174.391 174.700 0.058 0.000 0.966 123 T CA -0.044 62.080 62.100 0.039 0.000 1.060 123 T CB 1.230 70.133 68.868 0.059 0.000 0.927 123 T HN 0.359 nan 8.240 nan 0.000 0.485 124 E N 3.651 123.817 120.200 -0.056 0.000 2.404 124 E HA 0.201 4.561 4.350 0.018 0.000 0.261 124 E C -0.648 176.098 176.600 0.244 0.000 1.074 124 E CA -0.296 56.014 56.400 -0.150 0.000 0.917 124 E CB 0.441 29.666 29.700 -0.792 0.000 0.965 124 E HN 0.545 nan 8.360 nan 0.000 0.433 125 F N -0.367 119.739 119.950 0.259 0.000 2.620 125 F HA 0.658 5.195 4.527 0.017 0.000 0.320 125 F C -1.375 174.492 175.800 0.111 0.000 1.069 125 F CA -1.993 56.184 58.000 0.295 0.000 0.953 125 F CB 1.000 40.188 39.000 0.312 0.000 1.322 125 F HN 0.302 nan 8.300 nan 0.000 0.479 126 F N 3.528 123.371 119.950 -0.178 0.000 2.385 126 F HA 0.607 5.146 4.527 0.021 0.000 0.360 126 F C -1.006 174.700 175.800 -0.157 0.000 1.122 126 F CA -1.170 56.424 58.000 -0.677 0.000 1.090 126 F CB 1.146 39.380 39.000 -1.276 0.000 1.150 126 F HN 0.627 nan 8.300 nan 0.000 0.472 127 L N 7.472 128.346 121.223 -0.581 0.000 2.305 127 L HA 0.384 4.735 4.340 0.018 0.000 0.281 127 L C -0.269 176.224 176.870 -0.629 0.000 1.085 127 L CA 0.164 54.799 54.840 -0.341 0.000 0.813 127 L CB 1.351 43.233 42.059 -0.294 0.000 1.157 127 L HN 0.649 nan 8.230 nan 0.000 0.436 128 V N 2.570 122.295 119.914 -0.315 0.000 2.627 128 V HA 0.325 4.456 4.120 0.018 0.000 0.239 128 V C 0.643 176.652 176.094 -0.141 0.000 1.077 128 V CA 1.080 63.245 62.300 -0.224 0.000 1.103 128 V CB 0.196 32.002 31.823 -0.029 0.000 0.802 128 V HN 0.933 nan 8.190 nan 0.000 0.482 129 S N -0.702 114.948 115.700 -0.083 0.000 2.611 129 S HA 0.688 5.169 4.470 0.018 0.000 0.268 129 S C -1.632 172.955 174.600 -0.022 0.000 1.156 129 S CA -0.618 57.578 58.200 -0.007 0.000 0.817 129 S CB 2.285 65.519 63.200 0.056 0.000 1.122 129 S HN 0.209 nan 8.310 nan 0.000 0.466 130 L N 0.815 122.055 121.223 0.028 0.000 2.386 130 L HA 0.843 5.194 4.340 0.018 0.000 0.271 130 L C -0.990 175.921 176.870 0.067 0.000 0.993 130 L CA 0.196 54.974 54.840 -0.104 0.000 0.819 130 L CB 2.164 43.873 42.059 -0.584 0.000 1.294 130 L HN 0.949 nan 8.230 nan 0.000 0.414 131 T N 5.806 120.338 114.554 -0.037 0.000 2.812 131 T HA 0.604 4.965 4.350 0.018 0.000 0.282 131 T C -0.628 174.012 174.700 -0.100 0.000 0.990 131 T CA -0.306 61.728 62.100 -0.109 0.000 0.960 131 T CB 0.896 69.653 68.868 -0.186 0.000 0.948 131 T HN 0.441 nan 8.240 nan 0.000 0.438 132 L N 4.259 125.432 121.223 -0.084 0.000 2.307 132 L HA 0.635 4.986 4.340 0.018 0.000 0.284 132 L C 0.474 177.292 176.870 -0.087 0.000 1.023 132 L CA -0.731 54.068 54.840 -0.070 0.000 0.810 132 L CB 1.268 43.292 42.059 -0.058 0.000 1.231 132 L HN 0.727 nan 8.230 nan 0.000 0.423 133 E N 1.041 121.213 120.200 -0.047 0.000 2.431 133 E HA 0.318 4.679 4.350 0.018 0.000 0.268 133 E C -1.063 175.556 176.600 0.032 0.000 0.953 133 E CA -0.875 55.509 56.400 -0.026 0.000 0.810 133 E CB 1.537 31.217 29.700 -0.032 0.000 1.369 133 E HN 0.413 nan 8.360 nan 0.000 0.440 134 D N -0.087 120.351 120.400 0.063 0.000 2.718 134 D HA -0.140 4.510 4.640 0.018 0.000 0.242 134 D C -1.216 175.210 176.300 0.211 0.000 1.123 134 D CA 0.601 54.691 54.000 0.150 0.000 0.690 134 D CB -1.396 39.515 40.800 0.185 0.000 1.059 134 D HN 0.470 nan 8.370 nan 0.000 0.429 135 I N 0.056 120.708 120.570 0.136 0.000 2.328 135 I HA 0.377 4.558 4.170 0.018 0.000 0.287 135 I C -1.911 174.278 176.117 0.120 0.000 1.012 135 I CA -2.073 59.320 61.300 0.155 0.000 1.195 135 I CB 1.421 39.521 38.000 0.167 0.000 1.350 135 I HN -0.135 nan 8.210 nan 0.000 0.464 136 P HA -0.003 nan 4.420 nan 0.000 0.260 136 P C 0.219 177.557 177.300 0.064 0.000 1.185 136 P CA 0.463 63.574 63.100 0.019 0.000 0.763 136 P CB 0.222 31.892 31.700 -0.050 0.000 0.776 137 N N 0.206 118.943 118.700 0.061 0.000 2.708 137 N HA -0.253 4.497 4.740 0.018 0.000 0.251 137 N C -0.383 175.214 175.510 0.146 0.000 1.123 137 N CA 0.981 54.077 53.050 0.076 0.000 0.739 137 N CB -1.311 37.206 38.487 0.050 0.000 1.113 137 N HN 0.620 nan 8.380 nan 0.000 0.561 138 H N -1.504 117.576 119.070 0.017 0.000 2.690 138 H HA 0.538 5.105 4.556 0.018 0.000 0.368 138 H C 0.784 176.120 175.328 0.014 0.000 1.150 138 H CA -0.436 55.623 56.048 0.018 0.000 1.174 138 H CB 1.178 30.954 29.762 0.025 0.000 1.684 138 H HN 0.188 nan 8.280 nan 0.000 0.538 139 G N 1.335 109.897 108.800 -0.397 0.000 2.653 139 G HA2 0.072 4.043 3.960 0.018 0.000 0.265 139 G HA3 0.072 4.043 3.960 0.018 0.000 0.265 139 G C -0.404 174.306 174.900 -0.317 0.000 1.237 139 G CA -0.518 44.404 45.100 -0.297 0.000 0.946 139 G HN 0.554 nan 8.290 nan 0.000 0.522 140 S N -0.946 114.658 115.700 -0.160 0.000 2.560 140 S HA 0.198 4.679 4.470 0.018 0.000 0.284 140 S C 0.288 174.784 174.600 -0.173 0.000 1.327 140 S CA 0.075 58.181 58.200 -0.156 0.000 1.055 140 S CB 0.288 63.406 63.200 -0.138 0.000 0.868 140 S HN 0.322 nan 8.310 nan 0.000 0.506 141 I N 3.036 123.489 120.570 -0.195 0.000 2.354 141 I HA 0.332 4.513 4.170 0.018 0.000 0.292 141 I C -0.585 175.376 176.117 -0.260 0.000 0.989 141 I CA -0.605 60.593 61.300 -0.169 0.000 1.188 141 I CB 1.182 39.116 38.000 -0.110 0.000 1.342 141 I HN 0.597 nan 8.210 nan 0.000 0.457 142 H N 5.454 124.397 119.070 -0.212 0.000 2.492 142 H HA 0.565 5.132 4.556 0.018 0.000 0.345 142 H C -1.287 173.893 175.328 -0.247 0.000 1.136 142 H CA -0.328 55.660 56.048 -0.101 0.000 1.202 142 H CB 1.422 31.141 29.762 -0.072 0.000 1.524 142 H HN 0.281 nan 8.280 nan 0.000 0.506 143 F N 1.512 121.536 119.950 0.124 0.000 2.477 143 F HA 0.385 4.922 4.527 0.018 0.000 0.335 143 F C -0.494 175.376 175.800 0.117 0.000 1.130 143 F CA -0.912 57.181 58.000 0.155 0.000 0.948 143 F CB 1.386 40.542 39.000 0.259 0.000 1.154 143 F HN 0.209 nan 8.300 nan 0.000 0.439 144 V N 3.223 123.280 119.914 0.238 0.000 2.370 144 V HA 0.202 4.333 4.120 0.018 0.000 0.279 144 V C -0.049 176.119 176.094 0.123 0.000 1.029 144 V CA -0.198 62.199 62.300 0.163 0.000 0.870 144 V CB 1.030 32.952 31.823 0.165 0.000 0.984 144 V HN 1.109 nan 8.190 nan 0.000 0.451 145 C N 2.080 121.363 119.300 -0.028 0.000 2.370 145 C HA 0.200 4.671 4.460 0.018 0.000 0.348 145 C C 1.141 176.020 174.990 -0.186 0.000 1.477 145 C CA -0.429 58.452 59.018 -0.229 0.000 2.302 145 C CB -0.477 26.826 27.740 -0.728 0.000 2.220 145 C HN 0.929 nan 8.230 nan 0.000 0.625 146 N N 1.612 120.108 118.700 -0.340 0.000 2.688 146 N HA -0.155 4.596 4.740 0.018 0.000 0.258 146 N C -0.475 174.765 175.510 -0.450 0.000 1.016 146 N CA 1.240 54.041 53.050 -0.416 0.000 0.747 146 N CB -0.879 37.681 38.487 0.123 0.000 0.895 146 N HN 0.622 nan 8.380 nan 0.000 0.543 147 S N -0.911 114.315 115.700 -0.791 0.000 2.546 147 S HA 0.566 5.047 4.470 0.018 0.000 0.274 147 S C -1.005 173.390 174.600 -0.341 0.000 1.121 147 S CA -0.777 57.271 58.200 -0.252 0.000 0.887 147 S CB 0.830 64.123 63.200 0.155 0.000 1.094 147 S HN 0.299 nan 8.310 nan 0.000 0.474 148 W N 4.035 125.406 121.300 0.120 0.000 2.266 148 W HA 0.443 5.113 4.660 0.017 0.000 0.317 148 W C -0.090 176.449 176.519 0.032 0.000 1.310 148 W CA -0.616 56.809 57.345 0.133 0.000 1.207 148 W CB 0.568 30.209 29.460 0.302 0.000 1.199 148 W HN 0.339 nan 8.180 nan 0.000 0.544 149 I N 5.447 125.979 120.570 -0.063 0.000 2.359 149 I HA 0.174 4.355 4.170 0.018 0.000 0.284 149 I C -0.385 175.629 176.117 -0.172 0.000 1.018 149 I CA -1.692 59.485 61.300 -0.206 0.000 1.173 149 I CB -0.606 37.007 38.000 -0.644 0.000 1.326 149 I HN 0.346 nan 8.210 nan 0.000 0.462 150 Y N 3.720 124.088 120.300 0.114 0.000 2.340 150 Y HA 0.169 4.730 4.550 0.018 0.000 0.327 150 Y C 1.470 177.458 175.900 0.146 0.000 1.321 150 Y CA -0.064 58.152 58.100 0.193 0.000 1.433 150 Y CB 0.437 39.093 38.460 0.326 0.000 1.373 150 Y HN 0.503 nan 8.280 nan 0.000 0.538 151 N N 0.827 119.648 118.700 0.201 0.000 2.357 151 N HA -0.110 4.641 4.740 0.018 0.000 0.257 151 N C 0.676 176.255 175.510 0.115 0.000 1.250 151 N CA 0.548 53.643 53.050 0.075 0.000 0.862 151 N CB 0.905 39.397 38.487 0.008 0.000 1.066 151 N HN 0.889 nan 8.380 nan 0.000 0.468 152 A N 4.992 127.810 122.820 -0.003 0.000 2.024 152 A HA -0.178 4.153 4.320 0.018 0.000 0.220 152 A C 2.100 179.722 177.584 0.064 0.000 1.164 152 A CA 1.370 53.403 52.037 -0.006 0.000 0.643 152 A CB -0.199 18.606 19.000 -0.325 0.000 0.806 152 A HN 0.851 nan 8.150 nan 0.000 0.451 153 K N -0.453 119.954 120.400 0.011 0.000 2.097 153 K HA -0.022 4.309 4.320 0.018 0.000 0.206 153 K C 1.490 177.995 176.600 -0.157 0.000 1.049 153 K CA 1.214 57.480 56.287 -0.036 0.000 0.933 153 K CB -0.338 32.131 32.500 -0.052 0.000 0.717 153 K HN 0.497 nan 8.250 nan 0.000 0.442 154 L N -0.025 120.993 121.223 -0.342 0.000 2.549 154 L HA -0.128 4.223 4.340 0.018 0.000 0.230 154 L C 1.427 177.798 176.870 -0.832 0.000 1.162 154 L CA 0.755 55.100 54.840 -0.826 0.000 0.834 154 L CB -0.201 41.009 42.059 -1.415 0.000 0.947 154 L HN 0.144 nan 8.230 nan 0.000 0.452 155 F N -0.060 119.811 119.950 -0.133 0.000 2.399 155 F HA 0.077 4.615 4.527 0.018 0.000 0.282 155 F C 0.696 176.497 175.800 0.001 0.000 1.027 155 F CA -0.299 57.679 58.000 -0.036 0.000 1.333 155 F CB 0.322 39.299 39.000 -0.037 0.000 1.132 155 F HN -0.048 nan 8.300 nan 0.000 0.590 156 K N 2.281 122.764 120.400 0.137 0.000 6.236 156 K HA -0.202 4.129 4.320 0.018 0.000 0.607 156 K C -0.339 176.320 176.600 0.097 0.000 1.570 156 K CA 0.502 56.842 56.287 0.088 0.000 1.551 156 K CB -2.099 30.436 32.500 0.059 0.000 1.812 156 K HN 0.850 nan 8.250 nan 0.000 0.338 157 S N 0.554 116.275 115.700 0.035 0.000 2.966 157 S HA -0.097 4.384 4.470 0.018 0.000 0.857 157 S C -0.508 174.045 174.600 -0.078 0.000 0.947 157 S CA 0.359 58.542 58.200 -0.027 0.000 1.385 157 S CB -0.323 62.894 63.200 0.029 0.000 0.990 157 S HN 0.701 nan 8.310 nan 0.000 0.243 158 D N 2.884 123.125 120.400 -0.264 0.000 2.339 158 D HA 0.322 4.973 4.640 0.018 0.000 0.245 158 D C 0.822 176.990 176.300 -0.220 0.000 1.115 158 D CA -0.315 53.502 54.000 -0.305 0.000 0.917 158 D CB 0.445 40.935 40.800 -0.517 0.000 1.192 158 D HN 0.507 nan 8.370 nan 0.000 0.428 159 R N 1.265 121.577 120.500 -0.312 0.000 2.502 159 R HA 0.204 4.555 4.340 0.018 0.000 0.292 159 R C 0.067 176.108 176.300 -0.432 0.000 0.998 159 R CA 0.098 55.946 56.100 -0.420 0.000 1.056 159 R CB -0.116 29.951 30.300 -0.389 0.000 0.939 159 R HN 0.506 nan 8.270 nan 0.000 0.411 160 I N 3.316 123.452 120.570 -0.723 0.000 2.569 160 I HA 0.477 4.658 4.170 0.018 0.000 0.296 160 I C -1.298 173.990 176.117 -1.381 0.000 1.028 160 I CA -0.982 59.808 61.300 -0.850 0.000 1.082 160 I CB 1.235 38.907 38.000 -0.547 0.000 1.264 160 I HN 0.310 nan 8.210 nan 0.000 0.429 161 F N 5.964 125.382 119.950 -0.886 0.000 2.565 161 F HA 0.518 5.056 4.527 0.018 0.000 0.313 161 F C -0.727 174.756 175.800 -0.527 0.000 1.091 161 F CA -0.495 57.123 58.000 -0.637 0.000 0.915 161 F CB 1.781 40.314 39.000 -0.778 0.000 1.208 161 F HN 0.155 nan 8.300 nan 0.000 0.453 162 F N 1.195 121.251 119.950 0.176 0.000 2.483 162 F HA 0.753 5.291 4.527 0.018 0.000 0.329 162 F C 0.589 176.517 175.800 0.215 0.000 1.064 162 F CA -1.038 57.069 58.000 0.180 0.000 0.986 162 F CB 1.211 40.246 39.000 0.059 0.000 1.218 162 F HN 0.592 nan 8.300 nan 0.000 0.484 163 A N 1.548 124.447 122.820 0.132 0.000 2.386 163 A HA 0.118 4.449 4.320 0.018 0.000 0.246 163 A C 1.273 178.768 177.584 -0.149 0.000 1.089 163 A CA -0.264 51.504 52.037 -0.450 0.000 0.790 163 A CB -0.076 18.578 19.000 -0.577 0.000 1.042 163 A HN 0.908 nan 8.150 nan 0.000 0.497 164 N N -0.489 118.082 118.700 -0.215 0.000 2.202 164 N HA -0.195 4.556 4.740 0.018 0.000 0.197 164 N C 0.226 175.628 175.510 -0.179 0.000 0.995 164 N CA 1.783 54.748 53.050 -0.142 0.000 0.894 164 N CB -0.483 37.911 38.487 -0.156 0.000 1.010 164 N HN 0.673 nan 8.380 nan 0.000 0.453 165 Q N -0.301 119.353 119.800 -0.243 0.000 2.297 165 Q HA 0.135 4.486 4.340 0.018 0.000 0.267 165 Q C 0.028 175.677 176.000 -0.586 0.000 1.006 165 Q CA 0.055 55.596 55.803 -0.437 0.000 0.896 165 Q CB 0.955 29.357 28.738 -0.560 0.000 1.186 165 Q HN 0.237 nan 8.270 nan 0.000 0.392 166 T N 0.692 114.951 114.554 -0.492 0.000 2.817 166 T HA 0.507 4.868 4.350 0.018 0.000 0.293 166 T C -0.945 173.445 174.700 -0.516 0.000 0.964 166 T CA -0.389 61.463 62.100 -0.414 0.000 1.085 166 T CB 0.334 69.040 68.868 -0.270 0.000 0.921 166 T HN 0.361 nan 8.240 nan 0.000 0.502 167 Y N 2.480 122.668 120.300 -0.186 0.000 2.386 167 Y HA 0.447 5.008 4.550 0.018 0.000 0.334 167 Y C 0.294 176.015 175.900 -0.298 0.000 1.002 167 Y CA -1.438 56.549 58.100 -0.189 0.000 1.068 167 Y CB 1.481 39.856 38.460 -0.141 0.000 1.203 167 Y HN 0.668 nan 8.280 nan 0.000 0.443 168 L N 5.227 126.349 121.223 -0.169 0.000 2.499 168 L HA 0.095 4.446 4.340 0.018 0.000 0.281 168 L C -1.687 175.113 176.870 -0.117 0.000 1.234 168 L CA -1.419 53.246 54.840 -0.293 0.000 0.839 168 L CB 0.566 42.467 42.059 -0.263 0.000 1.104 168 L HN 0.457 nan 8.230 nan 0.000 0.500 169 P HA 0.011 nan 4.420 nan 0.000 0.237 169 P C 0.615 177.920 177.300 0.008 0.000 1.723 169 P CA -0.045 63.068 63.100 0.021 0.000 0.882 169 P CB -0.122 31.650 31.700 0.121 0.000 1.810 170 S N -0.740 114.946 115.700 -0.023 0.000 2.607 170 S HA -0.056 4.425 4.470 0.018 0.000 0.224 170 S C 0.824 175.393 174.600 -0.052 0.000 0.969 170 S CA 0.092 58.276 58.200 -0.027 0.000 0.927 170 S CB -0.820 62.361 63.200 -0.032 0.000 0.772 170 S HN 0.298 nan 8.310 nan 0.000 0.533 171 E N -0.486 119.675 120.200 -0.066 0.000 3.828 171 E HA -0.184 4.177 4.350 0.018 0.000 0.329 171 E C 0.622 177.106 176.600 -0.194 0.000 0.788 171 E CA 0.598 56.945 56.400 -0.087 0.000 1.266 171 E CB -2.789 26.881 29.700 -0.050 0.000 1.643 171 E HN 0.594 nan 8.360 nan 0.000 0.409 172 T N -0.075 114.321 114.554 -0.264 0.000 1.696 172 T HA -0.255 4.106 4.350 0.018 0.000 0.110 172 T C -1.793 172.694 174.700 -0.354 0.000 1.926 172 T CA 2.012 63.876 62.100 -0.393 0.000 0.857 172 T CB -1.803 66.708 68.868 -0.596 0.000 0.808 172 T HN 0.146 nan 8.240 nan 0.000 0.389 173 P HA 0.372 nan 4.420 nan 0.000 0.266 173 P C 0.344 177.579 177.300 -0.108 0.000 1.215 173 P CA 0.591 63.553 63.100 -0.231 0.000 0.763 173 P CB 0.373 31.955 31.700 -0.196 0.000 0.806 174 A N 7.058 129.836 122.820 -0.070 0.000 1.903 174 A HA -0.174 4.157 4.320 0.018 0.000 0.219 174 A C -0.371 177.217 177.584 0.007 0.000 1.191 174 A CA 1.920 53.937 52.037 -0.033 0.000 0.638 174 A CB -2.395 16.589 19.000 -0.027 0.000 0.823 174 A HN 0.459 nan 8.150 nan 0.000 0.451 175 P HA -0.064 nan 4.420 nan 0.000 0.228 175 P C 0.909 178.332 177.300 0.204 0.000 1.151 175 P CA 0.657 63.816 63.100 0.099 0.000 0.770 175 P CB 0.093 31.856 31.700 0.104 0.000 0.786 176 L N -2.198 119.127 121.223 0.171 0.000 2.556 176 L HA 0.053 4.404 4.340 0.018 0.000 0.226 176 L C 2.051 179.055 176.870 0.223 0.000 1.089 176 L CA 0.668 55.687 54.840 0.298 0.000 0.864 176 L CB -0.958 41.221 42.059 0.199 0.000 1.067 176 L HN -0.211 nan 8.230 nan 0.000 0.477 177 V N 0.017 119.976 119.914 0.076 0.000 2.278 177 V HA -0.378 3.753 4.120 0.018 0.000 0.251 177 V C 2.449 178.559 176.094 0.027 0.000 1.062 177 V CA 1.882 64.195 62.300 0.021 0.000 1.038 177 V CB -0.619 31.195 31.823 -0.015 0.000 0.646 177 V HN 0.441 nan 8.190 nan 0.000 0.447 178 K N -1.403 118.986 120.400 -0.018 0.000 2.155 178 K HA -0.125 4.206 4.320 0.018 0.000 0.203 178 K C 2.137 178.707 176.600 -0.050 0.000 1.052 178 K CA 1.434 57.667 56.287 -0.089 0.000 0.948 178 K CB -0.284 32.095 32.500 -0.201 0.000 0.728 178 K HN 0.498 nan 8.250 nan 0.000 0.448 179 Y N 1.151 121.513 120.300 0.102 0.000 2.242 179 Y HA -0.139 4.422 4.550 0.018 0.000 0.291 179 Y C 2.552 178.618 175.900 0.277 0.000 1.137 179 Y CA 1.132 59.333 58.100 0.168 0.000 1.181 179 Y CB -0.305 38.251 38.460 0.159 0.000 0.989 179 Y HN 0.025 nan 8.280 nan 0.000 0.527 180 R N 0.610 121.315 120.500 0.342 0.000 2.073 180 R HA -0.188 4.163 4.340 0.018 0.000 0.234 180 R C 1.977 178.318 176.300 0.068 0.000 1.134 180 R CA 1.916 58.062 56.100 0.078 0.000 0.952 180 R CB -0.198 30.049 30.300 -0.088 0.000 0.850 180 R HN 0.371 nan 8.270 nan 0.000 0.433 181 E N -0.069 120.171 120.200 0.067 0.000 2.072 181 E HA -0.216 4.145 4.350 0.018 0.000 0.191 181 E C 1.866 178.519 176.600 0.088 0.000 0.985 181 E CA 1.362 57.794 56.400 0.054 0.000 0.801 181 E CB 0.051 29.762 29.700 0.019 0.000 0.750 181 E HN 0.413 nan 8.360 nan 0.000 0.452 182 E N 0.570 120.832 120.200 0.104 0.000 2.106 182 E HA -0.199 4.162 4.350 0.018 0.000 0.192 182 E C 1.965 178.675 176.600 0.183 0.000 0.984 182 E CA 0.692 57.177 56.400 0.141 0.000 0.806 182 E CB 0.161 29.933 29.700 0.121 0.000 0.750 182 E HN 0.155 nan 8.360 nan 0.000 0.458 183 E N 0.079 120.383 120.200 0.172 0.000 2.152 183 E HA -0.142 4.219 4.350 0.018 0.000 0.192 183 E C 1.998 178.654 176.600 0.093 0.000 0.983 183 E CA 0.270 56.752 56.400 0.137 0.000 0.818 183 E CB 0.156 29.949 29.700 0.156 0.000 0.758 183 E HN 0.225 nan 8.360 nan 0.000 0.467 184 L N 0.563 121.834 121.223 0.079 0.000 2.083 184 L HA -0.175 4.176 4.340 0.018 0.000 0.209 184 L C 2.292 179.196 176.870 0.058 0.000 1.083 184 L CA 1.809 56.671 54.840 0.035 0.000 0.752 184 L CB -1.193 40.881 42.059 0.026 0.000 0.899 184 L HN 0.268 nan 8.230 nan 0.000 0.433 185 H N -0.612 118.461 119.070 0.006 0.000 2.357 185 H HA -0.078 4.490 4.556 0.019 0.000 0.301 185 H C 1.988 177.331 175.328 0.025 0.000 1.082 185 H CA 1.754 57.809 56.048 0.010 0.000 1.342 185 H CB 0.171 29.947 29.762 0.022 0.000 1.389 185 H HN 0.265 nan 8.280 nan 0.000 0.511 186 N N 0.062 118.762 118.700 0.001 0.000 2.244 186 N HA -0.106 4.645 4.740 0.018 0.000 0.183 186 N C 1.585 177.092 175.510 -0.006 0.000 1.016 186 N CA 0.622 53.651 53.050 -0.037 0.000 0.866 186 N CB -0.136 38.384 38.487 0.056 0.000 0.980 186 N HN 0.286 nan 8.380 nan 0.000 0.430 187 L N 1.337 122.581 121.223 0.034 0.000 2.217 187 L HA 0.017 4.368 4.340 0.018 0.000 0.211 187 L C 2.130 179.045 176.870 0.075 0.000 1.107 187 L CA 1.135 56.037 54.840 0.103 0.000 0.783 187 L CB -0.649 41.462 42.059 0.087 0.000 0.919 187 L HN 0.103 nan 8.230 nan 0.000 0.442 188 R N -0.926 119.557 120.500 -0.028 0.000 2.073 188 R HA 0.043 4.394 4.340 0.018 0.000 0.229 188 R C 1.610 177.875 176.300 -0.058 0.000 1.120 188 R CA 0.947 57.015 56.100 -0.052 0.000 0.967 188 R CB -0.292 29.960 30.300 -0.081 0.000 0.862 188 R HN 0.433 nan 8.270 nan 0.000 0.436 189 G N 1.142 109.875 108.800 -0.111 0.000 2.179 189 G HA2 -0.419 3.551 3.960 0.018 0.000 0.260 189 G HA3 -0.419 3.551 3.960 0.018 0.000 0.260 189 G C 0.413 175.249 174.900 -0.107 0.000 0.977 189 G CA 1.624 46.657 45.100 -0.112 0.000 0.641 189 G HN 0.588 nan 8.290 nan 0.000 0.533 190 D N -3.737 116.611 120.400 -0.086 0.000 2.074 190 D HA 0.056 4.707 4.640 0.018 0.000 0.214 190 D C 2.193 178.476 176.300 -0.029 0.000 1.279 190 D CA 3.146 57.116 54.000 -0.050 0.000 1.539 190 D CB -1.297 39.471 40.800 -0.053 0.000 1.415 190 D HN 2.234 nan 8.370 nan 0.000 0.630 191 G N -0.659 108.115 108.800 -0.043 0.000 2.184 191 G HA2 0.012 3.983 3.960 0.018 0.000 0.206 191 G HA3 0.012 3.983 3.960 0.018 0.000 0.206 191 G C 0.392 175.266 174.900 -0.044 0.000 0.995 191 G CA 1.041 46.124 45.100 -0.029 0.000 0.651 191 G HN 1.459 nan 8.290 nan 0.000 0.511 192 T N -2.025 112.493 114.554 -0.061 0.000 2.916 192 T HA 0.917 5.278 4.350 0.018 0.000 0.292 192 T C 0.362 175.001 174.700 -0.101 0.000 1.064 192 T CA 0.267 62.326 62.100 -0.068 0.000 1.011 192 T CB 2.408 71.247 68.868 -0.049 0.000 1.152 192 T HN 2.316 nan 8.240 nan 0.000 0.510 193 G N 0.536 109.272 108.800 -0.107 0.000 2.697 193 G HA2 0.058 4.029 3.960 0.018 0.000 0.686 193 G HA3 0.058 4.029 3.960 0.018 0.000 0.686 193 G C -0.788 174.001 174.900 -0.185 0.000 1.179 193 G CA -0.552 44.466 45.100 -0.137 0.000 0.765 193 G HN 1.064 nan 8.290 nan 0.000 0.649 194 E N 1.246 121.333 120.200 -0.187 0.000 2.257 194 E HA 0.320 4.681 4.350 0.018 0.000 0.278 194 E C 0.755 177.139 176.600 -0.360 0.000 1.049 194 E CA -0.763 55.497 56.400 -0.234 0.000 0.876 194 E CB 0.406 30.002 29.700 -0.174 0.000 1.035 194 E HN 0.410 nan 8.360 nan 0.000 0.419 195 R N 3.680 123.871 120.500 -0.516 0.000 2.537 195 R HA 0.186 4.537 4.340 0.018 0.000 0.280 195 R C -0.155 175.719 176.300 -0.709 0.000 1.058 195 R CA -0.034 55.543 56.100 -0.872 0.000 1.057 195 R CB 0.408 29.689 30.300 -1.699 0.000 0.973 195 R HN 0.414 nan 8.270 nan 0.000 0.438 196 K N 1.701 121.639 120.400 -0.770 0.000 2.281 196 K HA 0.133 4.464 4.320 0.018 0.000 0.242 196 K C 0.901 177.123 176.600 -0.629 0.000 0.971 196 K CA -0.753 55.103 56.287 -0.718 0.000 0.834 196 K CB 1.530 33.375 32.500 -1.091 0.000 1.181 196 K HN 0.560 nan 8.250 nan 0.000 0.435 197 E N 1.780 121.706 120.200 -0.456 0.000 2.147 197 E HA -0.188 4.173 4.350 0.018 0.000 0.199 197 E C 0.450 176.847 176.600 -0.338 0.000 1.005 197 E CA 1.772 58.024 56.400 -0.247 0.000 0.810 197 E CB 0.137 29.786 29.700 -0.085 0.000 0.736 197 E HN 0.680 nan 8.360 nan 0.000 0.460 198 W N 0.838 121.882 121.300 -0.425 0.000 3.256 198 W HA 0.333 5.004 4.660 0.017 0.000 0.269 198 W C 0.028 176.395 176.519 -0.253 0.000 1.310 198 W CA -0.462 56.421 57.345 -0.770 0.000 1.673 198 W CB -0.424 28.390 29.460 -1.076 0.000 1.115 198 W HN -0.097 nan 8.180 nan 0.000 0.686 199 E N 1.300 121.353 120.200 -0.244 0.000 2.283 199 E HA 0.338 4.699 4.350 0.018 0.000 0.267 199 E C -0.148 176.510 176.600 0.096 0.000 1.045 199 E CA -0.619 55.738 56.400 -0.071 0.000 0.884 199 E CB 1.152 30.648 29.700 -0.341 0.000 1.106 199 E HN -0.100 nan 8.360 nan 0.000 0.408 200 R N 1.828 122.403 120.500 0.126 0.000 2.795 200 R HA 0.354 4.705 4.340 0.018 0.000 0.320 200 R C -0.752 175.599 176.300 0.084 0.000 1.223 200 R CA -0.130 56.032 56.100 0.102 0.000 1.305 200 R CB 0.183 30.609 30.300 0.210 0.000 1.318 200 R HN 0.362 nan 8.270 nan 0.000 0.636 201 I N 1.116 121.699 120.570 0.022 0.000 2.362 201 I HA 0.309 4.490 4.170 0.018 0.000 0.289 201 I C -0.793 175.289 176.117 -0.057 0.000 0.994 201 I CA -0.902 60.413 61.300 0.025 0.000 1.158 201 I CB 1.238 39.206 38.000 -0.053 0.000 1.315 201 I HN 0.130 nan 8.210 nan 0.000 0.451 202 Y N 4.781 125.071 120.300 -0.016 0.000 2.331 202 Y HA 0.511 5.072 4.550 0.018 0.000 0.338 202 Y C -0.015 175.774 175.900 -0.185 0.000 0.976 202 Y CA -0.331 57.719 58.100 -0.084 0.000 1.137 202 Y CB 1.137 39.536 38.460 -0.102 0.000 1.172 202 Y HN 0.467 nan 8.280 nan 0.000 0.478 203 D N 0.828 121.149 120.400 -0.132 0.000 2.692 203 D HA 0.344 4.994 4.640 0.018 0.000 0.303 203 D C -1.721 174.388 176.300 -0.318 0.000 1.278 203 D CA -0.759 53.099 54.000 -0.236 0.000 0.852 203 D CB 1.467 42.223 40.800 -0.073 0.000 1.375 203 D HN 0.292 nan 8.370 nan 0.000 0.453 204 Y N 0.193 120.484 120.300 -0.016 0.000 2.509 204 Y HA 0.580 5.141 4.550 0.019 0.000 0.341 204 Y C 0.203 176.075 175.900 -0.047 0.000 1.038 204 Y CA -0.599 57.477 58.100 -0.041 0.000 1.089 204 Y CB 1.831 40.260 38.460 -0.052 0.000 1.241 204 Y HN 0.099 nan 8.280 nan 0.000 0.468 205 D N -0.144 120.319 120.400 0.106 0.000 2.599 205 D HA 0.428 5.079 4.640 0.018 0.000 0.252 205 D C -1.165 175.152 176.300 0.028 0.000 1.232 205 D CA -0.440 53.585 54.000 0.041 0.000 0.819 205 D CB 2.426 43.219 40.800 -0.012 0.000 1.401 205 D HN 0.371 nan 8.370 nan 0.000 0.429 206 V N -0.349 119.592 119.914 0.046 0.000 3.336 206 V HA 0.455 4.586 4.120 0.018 0.000 0.304 206 V C -0.189 175.956 176.094 0.086 0.000 1.073 206 V CA -0.198 62.171 62.300 0.114 0.000 1.074 206 V CB 0.427 32.324 31.823 0.122 0.000 1.161 206 V HN 0.468 nan 8.190 nan 0.000 0.460 207 Y N 2.188 122.521 120.300 0.055 0.000 2.691 207 Y HA 0.325 4.886 4.550 0.018 0.000 0.338 207 Y C 1.219 177.108 175.900 -0.018 0.000 1.148 207 Y CA -0.004 58.113 58.100 0.027 0.000 1.430 207 Y CB -0.253 38.216 38.460 0.015 0.000 1.303 207 Y HN 0.864 nan 8.280 nan 0.000 0.499 208 N N -0.787 117.960 118.700 0.079 0.000 2.197 208 N HA 0.013 4.764 4.740 0.018 0.000 0.228 208 N C -0.115 175.404 175.510 0.016 0.000 1.212 208 N CA -0.085 52.990 53.050 0.041 0.000 0.883 208 N CB 0.478 38.984 38.487 0.032 0.000 1.107 208 N HN 0.354 nan 8.380 nan 0.000 0.519 209 D N -0.149 120.258 120.400 0.012 0.000 2.479 209 D HA 0.041 4.692 4.640 0.018 0.000 0.218 209 D C 0.946 177.245 176.300 -0.003 0.000 1.177 209 D CA -0.295 53.700 54.000 -0.008 0.000 0.830 209 D CB 0.195 40.976 40.800 -0.031 0.000 1.014 209 D HN 0.111 nan 8.370 nan 0.000 0.503 210 L N 0.746 121.974 121.223 0.008 0.000 2.354 210 L HA 0.365 4.716 4.340 0.018 0.000 0.212 210 L C 1.486 178.342 176.870 -0.024 0.000 1.091 210 L CA 0.503 55.336 54.840 -0.012 0.000 0.828 210 L CB -0.384 41.662 42.059 -0.022 0.000 0.973 210 L HN 0.131 nan 8.230 nan 0.000 0.461 211 G N -1.763 107.028 108.800 -0.015 0.000 2.531 211 G HA2 0.371 4.342 3.960 0.018 0.000 0.313 211 G HA3 0.371 4.342 3.960 0.018 0.000 0.313 211 G C -1.128 173.777 174.900 0.010 0.000 1.238 211 G CA -0.122 44.977 45.100 -0.002 0.000 0.994 211 G HN 0.021 nan 8.290 nan 0.000 0.493 212 D N -0.510 119.911 120.400 0.035 0.000 2.552 212 D HA 0.322 4.973 4.640 0.018 0.000 0.285 212 D C -1.782 174.530 176.300 0.019 0.000 1.206 212 D CA -1.578 52.426 54.000 0.007 0.000 0.826 212 D CB 1.532 42.312 40.800 -0.033 0.000 1.179 212 D HN -0.000 nan 8.370 nan 0.000 0.508 213 P HA 0.020 nan 4.420 nan 0.000 0.229 213 P C 0.783 178.090 177.300 0.012 0.000 1.160 213 P CA 0.477 63.596 63.100 0.031 0.000 0.777 213 P CB 0.601 32.315 31.700 0.023 0.000 0.814 214 D N -0.130 120.263 120.400 -0.012 0.000 2.219 214 D HA -0.111 4.540 4.640 0.018 0.000 0.205 214 D C 1.792 178.065 176.300 -0.045 0.000 0.970 214 D CA 1.048 55.033 54.000 -0.025 0.000 0.851 214 D CB -0.260 40.522 40.800 -0.032 0.000 0.943 214 D HN 0.188 nan 8.370 nan 0.000 0.488 215 K N -0.503 119.845 120.400 -0.087 0.000 2.288 215 K HA 0.139 4.470 4.320 0.018 0.000 0.201 215 K C 0.747 177.313 176.600 -0.057 0.000 1.048 215 K CA 0.575 56.761 56.287 -0.168 0.000 0.956 215 K CB 0.400 32.629 32.500 -0.452 0.000 0.746 215 K HN 0.196 nan 8.250 nan 0.000 0.461 216 G N -0.456 108.370 108.800 0.044 0.000 2.356 216 G HA2 -0.111 3.860 3.960 0.018 0.000 0.288 216 G HA3 -0.111 3.860 3.960 0.018 0.000 0.288 216 G C -0.544 174.427 174.900 0.119 0.000 1.302 216 G CA -0.146 45.021 45.100 0.111 0.000 0.887 216 G HN 0.065 nan 8.290 nan 0.000 0.521 217 E N 0.120 120.372 120.200 0.086 0.000 2.216 217 E HA -0.068 4.293 4.350 0.018 0.000 0.192 217 E C 1.621 178.238 176.600 0.028 0.000 0.973 217 E CA 1.053 57.483 56.400 0.051 0.000 0.851 217 E CB -0.283 29.438 29.700 0.035 0.000 0.804 217 E HN 0.574 nan 8.360 nan 0.000 0.477 218 N N 1.239 119.936 118.700 -0.004 0.000 2.515 218 N HA -0.148 4.602 4.740 0.018 0.000 0.185 218 N C 0.991 176.347 175.510 -0.256 0.000 1.109 218 N CA 0.607 53.584 53.050 -0.122 0.000 0.903 218 N CB -0.423 37.971 38.487 -0.156 0.000 0.969 218 N HN 0.288 nan 8.380 nan 0.000 0.450 219 H N -0.286 118.767 119.070 -0.028 0.000 2.551 219 H HA 0.326 4.892 4.556 0.018 0.000 0.271 219 H C 0.532 175.838 175.328 -0.036 0.000 0.984 219 H CA -0.015 56.011 56.048 -0.037 0.000 1.164 219 H CB 0.617 30.360 29.762 -0.031 0.000 1.437 219 H HN 0.279 nan 8.280 nan 0.000 0.550 220 A N 1.920 124.775 122.820 0.059 0.000 2.371 220 A HA 0.430 4.760 4.320 0.018 0.000 0.257 220 A C 0.370 177.952 177.584 -0.003 0.000 1.089 220 A CA -0.160 51.896 52.037 0.031 0.000 0.794 220 A CB 0.676 19.696 19.000 0.034 0.000 1.029 220 A HN 0.145 nan 8.150 nan 0.000 0.488 221 R N 1.262 121.754 120.500 -0.013 0.000 2.725 221 R HA 0.527 4.878 4.340 0.018 0.000 0.277 221 R C -2.885 173.389 176.300 -0.044 0.000 0.987 221 R CA -1.829 54.240 56.100 -0.051 0.000 0.901 221 R CB 1.402 31.651 30.300 -0.085 0.000 1.207 221 R HN 0.679 nan 8.270 nan 0.000 0.463 222 P HA 0.124 nan 4.420 nan 0.000 0.271 222 P C -0.150 177.117 177.300 -0.055 0.000 1.218 222 P CA -0.398 62.686 63.100 -0.027 0.000 0.780 222 P CB 0.645 32.322 31.700 -0.038 0.000 0.901 223 V N 3.450 123.388 119.914 0.040 0.000 2.599 223 V HA -0.049 4.082 4.120 0.018 0.000 0.300 223 V C 0.635 176.763 176.094 0.056 0.000 1.034 223 V CA 0.304 62.635 62.300 0.052 0.000 1.115 223 V CB -0.010 31.863 31.823 0.083 0.000 0.934 223 V HN 0.349 nan 8.190 nan 0.000 0.485 224 L N 4.995 126.223 121.223 0.007 0.000 2.305 224 L HA 0.886 5.237 4.340 0.018 0.000 0.284 224 L C 0.415 177.365 176.870 0.134 0.000 1.013 224 L CA 0.667 55.474 54.840 -0.055 0.000 0.819 224 L CB 0.706 42.469 42.059 -0.494 0.000 1.227 224 L HN 1.002 nan 8.230 nan 0.000 0.417 225 G N 2.062 110.989 108.800 0.212 0.000 2.650 225 G HA2 0.440 4.411 3.960 0.018 0.000 0.686 225 G HA3 0.440 4.411 3.960 0.018 0.000 0.686 225 G C 0.385 175.390 174.900 0.174 0.000 1.205 225 G CA -0.349 44.890 45.100 0.231 0.000 0.781 225 G HN 1.405 nan 8.290 nan 0.000 0.648 226 G N -0.687 108.203 108.800 0.149 0.000 2.155 226 G HA2 0.059 4.029 3.960 0.018 0.000 0.257 226 G HA3 0.059 4.029 3.960 0.018 0.000 0.257 226 G C 0.303 175.266 174.900 0.105 0.000 0.983 226 G CA 1.399 46.562 45.100 0.106 0.000 0.676 226 G HN 2.637 nan 8.290 nan 0.000 0.528 227 N N -2.075 116.705 118.700 0.133 0.000 2.647 227 N HA 0.618 5.369 4.740 0.018 0.000 0.266 227 N C -0.044 175.538 175.510 0.120 0.000 1.373 227 N CA -0.335 52.781 53.050 0.110 0.000 0.807 227 N CB 0.564 39.115 38.487 0.107 0.000 1.513 227 N HN -0.170 nan 8.380 nan 0.000 0.505 228 D N -1.116 119.329 120.400 0.076 0.000 2.216 228 D HA 0.040 4.691 4.640 0.018 0.000 0.208 228 D C 1.097 177.426 176.300 0.048 0.000 0.960 228 D CA 1.233 55.277 54.000 0.073 0.000 0.861 228 D CB 0.035 40.861 40.800 0.042 0.000 0.985 228 D HN 0.648 nan 8.370 nan 0.000 0.493 229 T N -0.153 114.376 114.554 -0.042 0.000 2.708 229 T HA -0.100 4.261 4.350 0.018 0.000 0.266 229 T C 0.311 174.879 174.700 -0.221 0.000 1.037 229 T CA 0.896 62.858 62.100 -0.229 0.000 1.146 229 T CB -0.127 68.472 68.868 -0.448 0.000 0.865 229 T HN 0.030 nan 8.240 nan 0.000 0.435 230 F N 2.576 122.600 119.950 0.124 0.000 2.449 230 F HA 0.366 4.904 4.527 0.019 0.000 0.329 230 F C -2.408 173.505 175.800 0.189 0.000 1.245 230 F CA -3.688 54.393 58.000 0.134 0.000 1.193 230 F CB 0.584 39.621 39.000 0.060 0.000 1.425 230 F HN -0.052 nan 8.300 nan 0.000 0.544 231 P HA 0.120 nan 4.420 nan 0.000 0.272 231 P C -1.092 176.522 177.300 0.525 0.000 1.223 231 P CA 0.124 63.504 63.100 0.466 0.000 0.784 231 P CB 1.582 33.598 31.700 0.527 0.000 0.923 232 Y N 0.825 121.148 120.300 0.038 0.000 2.592 232 Y HA 0.327 4.888 4.550 0.018 0.000 0.334 232 Y C -2.426 173.216 175.900 -0.431 0.000 1.136 232 Y CA -2.292 55.536 58.100 -0.455 0.000 1.042 232 Y CB 1.838 40.148 38.460 -0.249 0.000 1.325 232 Y HN 0.263 nan 8.280 nan 0.000 0.457 233 P HA 0.146 nan 4.420 nan 0.000 0.269 233 P C -0.512 176.721 177.300 -0.113 0.000 1.217 233 P CA -0.042 62.743 63.100 -0.525 0.000 0.783 233 P CB 0.728 32.020 31.700 -0.679 0.000 0.898 234 R N 1.557 121.990 120.500 -0.111 0.000 2.583 234 R HA 0.406 4.757 4.340 0.018 0.000 0.268 234 R C 0.845 177.188 176.300 0.073 0.000 1.101 234 R CA -0.330 55.808 56.100 0.063 0.000 1.180 234 R CB 0.317 30.662 30.300 0.074 0.000 1.128 234 R HN 0.652 nan 8.270 nan 0.000 0.568 235 R N -1.477 119.008 120.500 -0.025 0.000 2.930 235 R HA 0.523 4.874 4.340 0.018 0.000 0.257 235 R C -0.083 176.162 176.300 -0.090 0.000 1.107 235 R CA -0.802 55.217 56.100 -0.135 0.000 0.999 235 R CB -0.132 29.877 30.300 -0.485 0.000 1.209 235 R HN 0.612 nan 8.270 nan 0.000 0.486 236 G N 0.990 109.732 108.800 -0.097 0.000 2.254 236 G HA2 0.042 4.013 3.960 0.018 0.000 0.253 236 G HA3 0.042 4.013 3.960 0.018 0.000 0.253 236 G C -0.436 174.431 174.900 -0.055 0.000 1.246 236 G CA -0.318 44.732 45.100 -0.082 0.000 0.946 236 G HN 0.532 nan 8.290 nan 0.000 0.474 237 R N 1.847 122.319 120.500 -0.048 0.000 2.502 237 R HA 0.184 4.535 4.340 0.018 0.000 0.292 237 R C -0.291 175.993 176.300 -0.026 0.000 0.998 237 R CA 0.389 56.463 56.100 -0.043 0.000 1.056 237 R CB 0.243 30.511 30.300 -0.054 0.000 0.939 237 R HN 0.384 nan 8.270 nan 0.000 0.411 238 T N 2.528 117.051 114.554 -0.051 0.000 2.848 238 T HA 0.442 4.803 4.350 0.018 0.000 0.285 238 T C -0.093 174.535 174.700 -0.120 0.000 0.995 238 T CA -0.506 61.546 62.100 -0.079 0.000 0.970 238 T CB 1.426 70.298 68.868 0.007 0.000 0.976 238 T HN 0.709 nan 8.240 nan 0.000 0.441 239 G N 4.005 112.699 108.800 -0.178 0.000 4.637 239 G HA2 0.306 4.277 3.960 0.018 0.000 0.308 239 G HA3 0.306 4.277 3.960 0.018 0.000 0.308 239 G C 0.272 175.099 174.900 -0.122 0.000 1.377 239 G CA -0.480 44.537 45.100 -0.139 0.000 1.176 239 G HN 0.594 nan 8.290 nan 0.000 0.601 240 R N 0.585 121.026 120.500 -0.098 0.000 2.774 240 R HA 0.252 4.602 4.340 0.018 0.000 0.269 240 R C 0.712 176.975 176.300 -0.063 0.000 1.068 240 R CA -0.314 55.738 56.100 -0.080 0.000 1.180 240 R CB 0.792 31.055 30.300 -0.062 0.000 1.077 240 R HN 0.474 nan 8.270 nan 0.000 0.513 241 K N 1.942 122.309 120.400 -0.054 0.000 2.355 241 K HA 0.172 4.503 4.320 0.018 0.000 0.270 241 K C -2.256 174.324 176.600 -0.034 0.000 1.003 241 K CA -1.324 54.937 56.287 -0.043 0.000 0.957 241 K CB 0.346 32.823 32.500 -0.038 0.000 0.939 241 K HN 0.257 nan 8.250 nan 0.000 0.482 242 P HA -0.022 nan 4.420 nan 0.000 0.274 242 P C -0.289 177.000 177.300 -0.018 0.000 1.246 242 P CA -0.371 62.717 63.100 -0.021 0.000 0.795 242 P CB 0.693 32.384 31.700 -0.015 0.000 1.006 243 T N 1.363 115.909 114.554 -0.014 0.000 2.856 243 T HA 0.036 4.397 4.350 0.018 0.000 0.306 243 T C 1.806 176.500 174.700 -0.010 0.000 1.062 243 T CA -0.309 61.783 62.100 -0.013 0.000 1.083 243 T CB 0.139 69.001 68.868 -0.009 0.000 0.984 243 T HN 0.263 nan 8.240 nan 0.000 0.542 244 R N 2.199 122.693 120.500 -0.011 0.000 2.075 244 R HA 0.038 4.389 4.340 0.018 0.000 0.232 244 R C 2.162 178.460 176.300 -0.004 0.000 1.126 244 R CA 1.330 57.425 56.100 -0.009 0.000 0.963 244 R CB -0.203 30.091 30.300 -0.010 0.000 0.858 244 R HN 0.590 nan 8.270 nan 0.000 0.435 245 K N 0.307 120.706 120.400 -0.001 0.000 2.365 245 K HA -0.033 4.298 4.320 0.018 0.000 0.197 245 K C -0.190 176.414 176.600 0.008 0.000 1.042 245 K CA 0.457 56.747 56.287 0.004 0.000 0.987 245 K CB 0.168 32.672 32.500 0.007 0.000 0.779 245 K HN 0.030 nan 8.250 nan 0.000 0.484 246 D N -0.463 119.940 120.400 0.006 0.000 2.478 246 D HA 0.160 4.811 4.640 0.018 0.000 0.240 246 D C -2.373 173.931 176.300 0.006 0.000 1.364 246 D CA -1.972 52.034 54.000 0.010 0.000 0.987 246 D CB 1.843 42.653 40.800 0.015 0.000 1.328 246 D HN -0.291 nan 8.370 nan 0.000 0.584 247 P HA -0.063 nan 4.420 nan 0.000 0.220 247 P C 0.185 177.489 177.300 0.005 0.000 1.144 247 P CA 1.060 64.162 63.100 0.003 0.000 0.800 247 P CB 0.187 31.890 31.700 0.005 0.000 0.772 248 N N -2.020 116.687 118.700 0.012 0.000 2.336 248 N HA 0.049 4.800 4.740 0.018 0.000 0.189 248 N C -0.003 175.516 175.510 0.016 0.000 1.113 248 N CA 0.171 53.230 53.050 0.017 0.000 0.858 248 N CB 0.143 38.646 38.487 0.027 0.000 0.970 248 N HN -0.036 nan 8.380 nan 0.000 0.471 249 S N 0.297 116.003 115.700 0.010 0.000 2.509 249 S HA 0.186 4.667 4.470 0.018 0.000 0.297 249 S C -0.431 174.167 174.600 -0.004 0.000 1.118 249 S CA -0.750 57.454 58.200 0.006 0.000 1.074 249 S CB 2.008 65.213 63.200 0.008 0.000 1.038 249 S HN 0.150 nan 8.310 nan 0.000 0.498 250 E N 1.872 122.066 120.200 -0.009 0.000 2.249 250 E HA 0.304 4.665 4.350 0.018 0.000 0.280 250 E C -0.129 176.458 176.600 -0.021 0.000 1.016 250 E CA -0.567 55.821 56.400 -0.020 0.000 0.830 250 E CB 0.717 30.401 29.700 -0.028 0.000 1.081 250 E HN 0.667 nan 8.360 nan 0.000 0.395 251 S N 4.346 120.031 115.700 -0.025 0.000 2.579 251 S HA 0.196 4.677 4.470 0.018 0.000 0.275 251 S C 0.329 174.912 174.600 -0.029 0.000 1.345 251 S CA -0.679 57.505 58.200 -0.026 0.000 1.031 251 S CB 0.923 64.106 63.200 -0.028 0.000 0.892 251 S HN 0.467 nan 8.310 nan 0.000 0.529 252 R N 0.932 121.415 120.500 -0.029 0.000 2.582 252 R HA 0.519 4.870 4.340 0.018 0.000 0.271 252 R C -0.060 176.223 176.300 -0.029 0.000 1.078 252 R CA -0.207 55.876 56.100 -0.029 0.000 1.127 252 R CB 1.308 31.589 30.300 -0.032 0.000 1.038 252 R HN 0.757 nan 8.270 nan 0.000 0.500 253 S N 0.081 115.766 115.700 -0.025 0.000 2.541 253 S HA 0.178 4.659 4.470 0.018 0.000 0.271 253 S C 0.209 174.799 174.600 -0.017 0.000 1.133 253 S CA -0.775 57.411 58.200 -0.022 0.000 0.876 253 S CB 1.407 64.594 63.200 -0.023 0.000 1.105 253 S HN 0.569 nan 8.310 nan 0.000 0.470 254 N N 1.827 120.518 118.700 -0.015 0.000 2.459 254 N HA 0.056 4.807 4.740 0.018 0.000 0.181 254 N C -0.708 174.801 175.510 -0.003 0.000 1.046 254 N CA 0.910 53.954 53.050 -0.011 0.000 0.904 254 N CB 0.034 38.515 38.487 -0.011 0.000 0.964 254 N HN 0.622 nan 8.380 nan 0.000 0.444 255 D N 0.318 120.718 120.400 -0.001 0.000 2.481 255 D HA 0.123 4.774 4.640 0.018 0.000 0.246 255 D C -0.560 175.744 176.300 0.007 0.000 1.109 255 D CA -0.336 53.669 54.000 0.008 0.000 0.845 255 D CB 2.821 43.627 40.800 0.009 0.000 1.160 255 D HN -0.185 nan 8.370 nan 0.000 0.534 256 V N 3.027 122.948 119.914 0.012 0.000 2.435 256 V HA 0.361 4.492 4.120 0.018 0.000 0.290 256 V C -0.731 175.379 176.094 0.026 0.000 1.030 256 V CA -0.650 61.661 62.300 0.018 0.000 0.881 256 V CB 1.176 33.004 31.823 0.008 0.000 0.983 256 V HN 0.472 nan 8.190 nan 0.000 0.445 257 Y N 7.512 127.755 120.300 -0.096 0.000 2.497 257 Y HA 0.550 5.111 4.550 0.019 0.000 0.334 257 Y C -0.316 175.512 175.900 -0.120 0.000 1.199 257 Y CA 0.132 58.154 58.100 -0.130 0.000 1.425 257 Y CB 0.740 39.093 38.460 -0.179 0.000 1.291 257 Y HN 0.870 nan 8.280 nan 0.000 0.562 258 L N 4.369 125.064 121.223 -0.879 0.000 2.393 258 L HA 0.727 5.078 4.340 0.018 0.000 0.260 258 L C -2.963 173.052 176.870 -1.425 0.000 1.002 258 L CA -2.877 51.377 54.840 -0.976 0.000 0.818 258 L CB 1.741 43.573 42.059 -0.378 0.000 1.369 258 L HN 0.338 nan 8.230 nan 0.000 0.412 259 P HA 0.121 nan 4.420 nan 0.000 0.263 259 P C -0.873 176.210 177.300 -0.361 0.000 1.195 259 P CA -0.098 62.540 63.100 -0.771 0.000 0.762 259 P CB 0.494 31.552 31.700 -1.070 0.000 0.799 260 R N 3.602 123.999 120.500 -0.172 0.000 2.537 260 R HA 0.144 4.495 4.340 0.018 0.000 0.280 260 R C 0.449 176.850 176.300 0.168 0.000 1.058 260 R CA 1.047 57.157 56.100 0.016 0.000 1.057 260 R CB -0.534 29.830 30.300 0.106 0.000 0.973 260 R HN 0.538 nan 8.270 nan 0.000 0.438 261 D N 1.628 122.168 120.400 0.235 0.000 2.010 261 D HA -0.143 4.508 4.640 0.018 0.000 0.171 261 D C 0.372 176.761 176.300 0.148 0.000 1.074 261 D CA 1.203 55.354 54.000 0.251 0.000 1.063 261 D CB -0.734 40.260 40.800 0.324 0.000 1.181 261 D HN 0.668 nan 8.370 nan 0.000 0.551 262 E N 0.348 120.647 120.200 0.164 0.000 2.371 262 E HA 0.217 4.578 4.350 0.018 0.000 0.194 262 E C 0.984 177.733 176.600 0.248 0.000 1.012 262 E CA 0.855 57.395 56.400 0.234 0.000 0.860 262 E CB 0.209 29.998 29.700 0.149 0.000 0.811 262 E HN 0.459 nan 8.360 nan 0.000 0.502 263 A N 1.342 124.237 122.820 0.125 0.000 2.260 263 A HA 0.446 4.777 4.320 0.018 0.000 0.312 263 A C -0.722 176.941 177.584 0.131 0.000 1.321 263 A CA -0.415 51.716 52.037 0.158 0.000 0.928 263 A CB -0.253 18.788 19.000 0.068 0.000 1.158 263 A HN -0.082 nan 8.150 nan 0.000 0.542 264 F N 1.901 121.886 119.950 0.058 0.000 2.394 264 F HA 0.521 5.058 4.527 0.017 0.000 0.340 264 F C 1.238 176.886 175.800 -0.253 0.000 1.105 264 F CA 0.306 58.263 58.000 -0.072 0.000 1.124 264 F CB 1.701 40.610 39.000 -0.152 0.000 1.145 264 F HN 0.661 nan 8.300 nan 0.000 0.505 265 G N 1.764 110.472 108.800 -0.152 0.000 2.557 265 G HA2 0.443 4.414 3.960 0.018 0.000 0.292 265 G HA3 0.443 4.414 3.960 0.018 0.000 0.292 265 G C -1.104 173.329 174.900 -0.778 0.000 1.237 265 G CA -0.350 44.632 45.100 -0.197 0.000 0.978 265 G HN 0.639 nan 8.290 nan 0.000 0.498 266 H N -0.600 118.291 119.070 -0.299 0.000 2.961 266 H HA 0.249 4.817 4.556 0.019 0.000 0.371 266 H C 0.096 175.399 175.328 -0.042 0.000 1.190 266 H CA -0.722 55.125 56.048 -0.335 0.000 1.138 266 H CB 2.156 31.468 29.762 -0.750 0.000 1.816 266 H HN 0.188 nan 8.280 nan 0.000 0.551 267 L N 0.565 121.854 121.223 0.111 0.000 2.270 267 L HA 0.099 4.450 4.340 0.018 0.000 0.210 267 L C 0.829 177.798 176.870 0.165 0.000 1.104 267 L CA 1.232 56.149 54.840 0.129 0.000 0.804 267 L CB -0.439 41.666 42.059 0.078 0.000 0.937 267 L HN 0.406 nan 8.230 nan 0.000 0.450 268 K N 0.366 120.858 120.400 0.153 0.000 2.265 268 K HA 0.243 4.574 4.320 0.018 0.000 0.267 268 K C 0.123 176.860 176.600 0.227 0.000 0.994 268 K CA -0.237 56.136 56.287 0.142 0.000 0.860 268 K CB 1.106 33.650 32.500 0.074 0.000 1.099 268 K HN 0.082 nan 8.250 nan 0.000 0.448 269 S N 2.792 118.639 115.700 0.245 0.000 2.549 269 S HA 0.210 4.691 4.470 0.018 0.000 0.279 269 S C 0.497 175.198 174.600 0.169 0.000 1.321 269 S CA 0.365 58.734 58.200 0.281 0.000 1.054 269 S CB 0.969 64.250 63.200 0.135 0.000 0.899 269 S HN 1.229 nan 8.310 nan 0.000 0.497 270 S N 0.587 116.390 115.700 0.170 0.000 1.732 270 S HA -0.163 4.318 4.470 0.018 0.000 0.248 270 S C 0.215 174.829 174.600 0.023 0.000 1.076 270 S CA 0.522 58.775 58.200 0.087 0.000 1.222 270 S CB -2.218 61.016 63.200 0.056 0.000 1.485 270 S HN 0.669 nan 8.310 nan 0.000 0.552 271 D N 0.520 120.895 120.400 -0.043 0.000 2.360 271 D HA 0.381 5.032 4.640 0.018 0.000 0.210 271 D C -0.033 175.911 176.300 -0.593 0.000 1.047 271 D CA 0.065 53.874 54.000 -0.317 0.000 0.854 271 D CB -0.201 40.358 40.800 -0.401 0.000 0.936 271 D HN 0.566 nan 8.370 nan 0.000 0.514 272 F N 1.495 121.327 119.950 -0.196 0.000 2.661 272 F HA 0.172 4.709 4.527 0.018 0.000 0.356 272 F C 1.621 177.457 175.800 0.060 0.000 1.244 272 F CA -0.132 57.847 58.000 -0.036 0.000 1.290 272 F CB -0.110 38.923 39.000 0.055 0.000 1.677 272 F HN -0.156 nan 8.300 nan 0.000 0.649 273 L N 0.115 121.395 121.223 0.094 0.000 2.109 273 L HA -0.156 4.195 4.340 0.018 0.000 0.207 273 L C 2.626 179.600 176.870 0.173 0.000 1.086 273 L CA 1.516 56.426 54.840 0.115 0.000 0.760 273 L CB -0.795 41.298 42.059 0.057 0.000 0.910 273 L HN 0.503 nan 8.230 nan 0.000 0.437 274 T N -3.185 111.497 114.554 0.213 0.000 2.833 274 T HA -0.293 4.068 4.350 0.018 0.000 0.269 274 T C 1.828 176.660 174.700 0.220 0.000 1.054 274 T CA 1.118 63.341 62.100 0.205 0.000 1.135 274 T CB -0.662 68.335 68.868 0.217 0.000 0.869 274 T HN 0.305 nan 8.240 nan 0.000 0.466 275 Y N 2.335 122.742 120.300 0.178 0.000 2.224 275 Y HA 0.118 4.674 4.550 0.010 0.000 0.289 275 Y C 2.622 178.587 175.900 0.108 0.000 1.146 275 Y CA 1.120 59.305 58.100 0.142 0.000 1.182 275 Y CB -0.753 37.804 38.460 0.162 0.000 0.983 275 Y HN 0.300 nan 8.280 nan 0.000 0.524 276 G N -0.094 108.851 108.800 0.241 0.000 2.408 276 G HA2 -0.218 3.753 3.960 0.018 0.000 0.217 276 G HA3 -0.218 3.753 3.960 0.018 0.000 0.217 276 G C 1.684 176.623 174.900 0.065 0.000 1.150 276 G CA 0.948 46.130 45.100 0.137 0.000 0.776 276 G HN 0.428 nan 8.290 nan 0.000 0.542 277 L N -0.012 121.250 121.223 0.066 0.000 2.017 277 L HA -0.059 4.292 4.340 0.018 0.000 0.208 277 L C 2.883 179.758 176.870 0.009 0.000 1.073 277 L CA 1.502 56.369 54.840 0.045 0.000 0.745 277 L CB -0.303 41.792 42.059 0.059 0.000 0.894 277 L HN 0.205 nan 8.230 nan 0.000 0.432 278 K N -0.388 119.995 120.400 -0.028 0.000 2.103 278 K HA -0.183 4.148 4.320 0.018 0.000 0.207 278 K C 2.183 178.713 176.600 -0.117 0.000 1.048 278 K CA 1.743 57.980 56.287 -0.084 0.000 0.930 278 K CB 0.047 32.463 32.500 -0.140 0.000 0.716 278 K HN 0.179 nan 8.250 nan 0.000 0.444 279 S N 0.266 115.875 115.700 -0.151 0.000 2.383 279 S HA -0.090 4.391 4.470 0.018 0.000 0.227 279 S C 1.887 176.488 174.600 0.001 0.000 1.026 279 S CA 1.071 59.210 58.200 -0.101 0.000 0.981 279 S CB -0.025 63.126 63.200 -0.081 0.000 0.818 279 S HN 0.116 nan 8.310 nan 0.000 0.472 280 V N 1.235 121.177 119.914 0.047 0.000 2.407 280 V HA -0.140 3.991 4.120 0.018 0.000 0.248 280 V C 2.567 178.693 176.094 0.054 0.000 1.055 280 V CA 1.956 64.313 62.300 0.094 0.000 1.049 280 V CB -0.753 31.151 31.823 0.134 0.000 0.662 280 V HN 0.567 nan 8.190 nan 0.000 0.455 281 S N -0.808 114.906 115.700 0.023 0.000 2.355 281 S HA -0.228 4.253 4.470 0.018 0.000 0.222 281 S C 2.004 176.610 174.600 0.010 0.000 1.031 281 S CA 1.849 60.057 58.200 0.012 0.000 0.993 281 S CB -0.101 63.096 63.200 -0.005 0.000 0.859 281 S HN 0.706 nan 8.310 nan 0.000 0.453 282 Q N -0.058 119.737 119.800 -0.009 0.000 2.123 282 Q HA 0.126 4.477 4.340 0.018 0.000 0.196 282 Q C 1.837 177.836 176.000 -0.001 0.000 0.958 282 Q CA 1.021 56.816 55.803 -0.013 0.000 0.841 282 Q CB -0.078 28.636 28.738 -0.039 0.000 0.915 282 Q HN 0.514 nan 8.270 nan 0.000 0.455 283 N N -0.411 118.289 118.700 -0.001 0.000 2.436 283 N HA -0.009 4.741 4.740 0.018 0.000 0.178 283 N C 1.857 177.382 175.510 0.024 0.000 1.026 283 N CA 0.715 53.769 53.050 0.007 0.000 0.880 283 N CB 0.336 38.823 38.487 0.001 0.000 1.061 283 N HN -0.010 nan 8.380 nan 0.000 0.434 284 V N 2.031 121.967 119.914 0.037 0.000 2.379 284 V HA -0.080 4.051 4.120 0.018 0.000 0.243 284 V C 2.395 178.536 176.094 0.078 0.000 1.035 284 V CA 0.740 63.066 62.300 0.044 0.000 1.035 284 V CB -0.510 31.351 31.823 0.064 0.000 0.673 284 V HN 0.140 nan 8.190 nan 0.000 0.457 285 L N 1.921 123.198 121.223 0.089 0.000 1.970 285 L HA -0.052 4.299 4.340 0.018 0.000 0.212 285 L C -0.209 176.761 176.870 0.167 0.000 1.071 285 L CA 2.632 57.553 54.840 0.135 0.000 0.751 285 L CB -2.205 39.914 42.059 0.099 0.000 0.889 285 L HN 0.235 nan 8.230 nan 0.000 0.432 286 P HA -0.151 nan 4.420 nan 0.000 0.218 286 P C 2.155 179.497 177.300 0.070 0.000 1.148 286 P CA 1.354 64.499 63.100 0.075 0.000 0.822 286 P CB -0.065 31.660 31.700 0.040 0.000 0.784 287 L N -1.667 119.599 121.223 0.071 0.000 2.027 287 L HA -0.145 4.206 4.340 0.018 0.000 0.206 287 L C 2.216 179.148 176.870 0.105 0.000 1.074 287 L CA 1.509 56.387 54.840 0.063 0.000 0.745 287 L CB -1.021 41.062 42.059 0.040 0.000 0.898 287 L HN -0.098 nan 8.230 nan 0.000 0.433 288 L N -0.935 120.393 121.223 0.175 0.000 2.109 288 L HA -0.182 4.168 4.340 0.018 0.000 0.207 288 L C 2.501 179.615 176.870 0.407 0.000 1.086 288 L CA 1.533 56.551 54.840 0.297 0.000 0.760 288 L CB -0.633 41.634 42.059 0.346 0.000 0.910 288 L HN 0.380 nan 8.230 nan 0.000 0.437 289 Q N -1.316 118.664 119.800 0.300 0.000 2.170 289 Q HA -0.198 4.153 4.340 0.018 0.000 0.203 289 Q C 2.112 178.084 176.000 -0.045 0.000 0.976 289 Q CA 1.786 57.542 55.803 -0.079 0.000 0.858 289 Q CB 0.066 28.743 28.738 -0.102 0.000 0.907 289 Q HN 0.479 nan 8.270 nan 0.000 0.433 290 S N 0.102 115.813 115.700 0.018 0.000 2.382 290 S HA -0.120 4.361 4.470 0.018 0.000 0.228 290 S C 1.847 176.429 174.600 -0.030 0.000 1.027 290 S CA 0.948 59.140 58.200 -0.013 0.000 0.991 290 S CB -0.200 62.999 63.200 -0.001 0.000 0.823 290 S HN 0.574 nan 8.310 nan 0.000 0.469 291 A N -0.056 122.769 122.820 0.007 0.000 2.066 291 A HA 0.118 4.449 4.320 0.018 0.000 0.218 291 A C 1.653 179.097 177.584 -0.234 0.000 1.157 291 A CA 0.887 52.868 52.037 -0.093 0.000 0.670 291 A CB -0.521 18.439 19.000 -0.067 0.000 0.804 291 A HN 0.490 nan 8.150 nan 0.000 0.453 292 F N -0.063 119.800 119.950 -0.144 0.000 2.374 292 F HA 0.032 4.568 4.527 0.016 0.000 0.291 292 F C 1.455 177.132 175.800 -0.205 0.000 1.084 292 F CA 0.807 58.695 58.000 -0.187 0.000 1.413 292 F CB 0.094 38.923 39.000 -0.285 0.000 1.099 292 F HN 0.125 nan 8.300 nan 0.000 0.534 293 D N 0.512 120.882 120.400 -0.049 0.000 2.371 293 D HA -0.053 4.598 4.640 0.018 0.000 0.221 293 D C 1.804 178.035 176.300 -0.115 0.000 0.986 293 D CA 0.498 54.444 54.000 -0.091 0.000 0.899 293 D CB -0.021 40.720 40.800 -0.099 0.000 0.902 293 D HN 0.301 nan 8.370 nan 0.000 0.530 294 L N -0.704 120.425 121.223 -0.156 0.000 2.415 294 L HA 0.151 4.502 4.340 0.018 0.000 0.194 294 L C 1.122 177.820 176.870 -0.287 0.000 1.256 294 L CA 0.651 55.343 54.840 -0.247 0.000 1.974 294 L CB 0.308 42.177 42.059 -0.316 0.000 1.753 294 L HN -0.170 nan 8.230 nan 0.000 0.948 295 N N -3.379 115.091 118.700 -0.385 0.000 2.416 295 N HA -0.048 4.703 4.740 0.018 0.000 0.326 295 N C 0.918 176.256 175.510 -0.287 0.000 0.742 295 N CA 0.090 52.915 53.050 -0.375 0.000 0.558 295 N CB -0.276 37.900 38.487 -0.518 0.000 2.406 295 N HN 0.225 nan 8.380 nan 0.000 1.113 296 F N 1.725 121.565 119.950 -0.184 0.000 2.546 296 F HA 0.208 4.747 4.527 0.019 0.000 0.298 296 F C 0.553 176.234 175.800 -0.198 0.000 1.120 296 F CA 1.016 58.919 58.000 -0.162 0.000 1.456 296 F CB -0.698 38.222 39.000 -0.133 0.000 1.088 296 F HN -0.052 nan 8.300 nan 0.000 0.572 297 T N -1.955 112.497 114.554 -0.170 0.000 2.893 297 T HA 0.506 4.867 4.350 0.018 0.000 0.291 297 T C -2.782 171.785 174.700 -0.221 0.000 1.028 297 T CA -2.400 59.568 62.100 -0.220 0.000 0.995 297 T CB 2.158 70.795 68.868 -0.385 0.000 1.051 297 T HN -0.380 nan 8.240 nan 0.000 0.470 298 P HA 0.344 nan 4.420 nan 0.000 0.269 298 P C 0.370 177.680 177.300 0.016 0.000 1.209 298 P CA -0.511 62.565 63.100 -0.039 0.000 0.776 298 P CB 0.722 32.420 31.700 -0.004 0.000 0.876 299 R N 0.602 121.152 120.500 0.083 0.000 2.276 299 R HA 0.068 4.419 4.340 0.018 0.000 0.203 299 R C 0.444 176.785 176.300 0.069 0.000 1.017 299 R CA 0.781 57.023 56.100 0.238 0.000 1.010 299 R CB 0.183 30.584 30.300 0.167 0.000 0.900 299 R HN 0.563 nan 8.270 nan 0.000 0.469 300 E N -0.165 120.029 120.200 -0.011 0.000 2.340 300 E HA 0.185 4.546 4.350 0.018 0.000 0.273 300 E C -1.029 175.538 176.600 -0.055 0.000 0.891 300 E CA -0.810 55.553 56.400 -0.063 0.000 0.757 300 E CB 1.565 31.276 29.700 0.019 0.000 1.231 300 E HN -0.150 nan 8.360 nan 0.000 0.439 301 F N 1.434 121.435 119.950 0.085 0.000 2.471 301 F HA 0.075 4.612 4.527 0.016 0.000 0.353 301 F C 1.557 177.413 175.800 0.093 0.000 1.113 301 F CA 0.271 58.324 58.000 0.087 0.000 1.262 301 F CB 0.468 39.519 39.000 0.085 0.000 1.146 301 F HN 0.351 nan 8.300 nan 0.000 0.578 302 D N -0.417 120.162 120.400 0.297 0.000 2.454 302 D HA 0.062 4.713 4.640 0.018 0.000 0.219 302 D C 0.257 176.659 176.300 0.171 0.000 1.081 302 D CA 0.617 54.730 54.000 0.188 0.000 0.867 302 D CB 0.493 41.369 40.800 0.126 0.000 1.054 302 D HN 0.441 nan 8.370 nan 0.000 0.500 303 S N -1.169 114.655 115.700 0.207 0.000 2.685 303 S HA 0.359 4.840 4.470 0.018 0.000 0.282 303 S C 0.300 175.084 174.600 0.307 0.000 1.159 303 S CA -0.640 57.667 58.200 0.179 0.000 0.833 303 S CB 0.906 64.174 63.200 0.112 0.000 1.151 303 S HN -0.236 nan 8.310 nan 0.000 0.485 304 F N 1.507 121.497 119.950 0.067 0.000 2.259 304 F HA 0.075 4.613 4.527 0.019 0.000 0.298 304 F C 1.748 177.645 175.800 0.162 0.000 1.088 304 F CA 0.660 58.715 58.000 0.091 0.000 1.358 304 F CB -1.421 37.665 39.000 0.143 0.000 1.040 304 F HN 0.636 nan 8.300 nan 0.000 0.505 305 D N -0.131 120.453 120.400 0.308 0.000 2.123 305 D HA -0.206 4.445 4.640 0.018 0.000 0.196 305 D C 2.104 178.504 176.300 0.167 0.000 0.992 305 D CA 1.419 55.545 54.000 0.211 0.000 0.833 305 D CB -0.253 40.623 40.800 0.126 0.000 0.954 305 D HN 0.308 nan 8.370 nan 0.000 0.455 306 E N -0.001 120.287 120.200 0.147 0.000 2.153 306 E HA -0.154 4.206 4.350 0.018 0.000 0.194 306 E C 1.813 178.416 176.600 0.006 0.000 0.988 306 E CA 0.667 57.156 56.400 0.149 0.000 0.811 306 E CB 0.233 30.100 29.700 0.278 0.000 0.746 306 E HN 0.125 nan 8.360 nan 0.000 0.466 307 V N 0.450 120.208 119.914 -0.259 0.000 2.453 307 V HA -0.206 3.925 4.120 0.018 0.000 0.247 307 V C 2.073 177.896 176.094 -0.451 0.000 1.048 307 V CA 1.605 63.524 62.300 -0.635 0.000 1.049 307 V CB -0.606 30.733 31.823 -0.808 0.000 0.672 307 V HN 0.393 nan 8.190 nan 0.000 0.457 308 H N 0.684 119.668 119.070 -0.143 0.000 2.457 308 H HA -0.034 4.533 4.556 0.018 0.000 0.294 308 H C 2.413 177.700 175.328 -0.069 0.000 1.064 308 H CA 1.419 57.459 56.048 -0.014 0.000 1.330 308 H CB -0.266 29.546 29.762 0.084 0.000 1.395 308 H HN 0.510 nan 8.280 nan 0.000 0.541 309 G N 0.937 109.752 108.800 0.025 0.000 2.498 309 G HA2 -0.180 3.791 3.960 0.018 0.000 0.219 309 G HA3 -0.180 3.791 3.960 0.018 0.000 0.219 309 G C 1.664 176.526 174.900 -0.063 0.000 1.119 309 G CA 0.039 45.151 45.100 0.020 0.000 0.766 309 G HN 0.178 nan 8.290 nan 0.000 0.552 310 L N -0.191 120.866 121.223 -0.277 0.000 2.127 310 L HA -0.031 4.320 4.340 0.018 0.000 0.211 310 L C 1.934 178.651 176.870 -0.256 0.000 1.089 310 L CA 1.138 55.774 54.840 -0.339 0.000 0.757 310 L CB -0.820 40.774 42.059 -0.774 0.000 0.899 310 L HN 0.533 nan 8.230 nan 0.000 0.434 311 Y N -3.529 116.868 120.300 0.162 0.000 2.467 311 Y HA 0.281 4.840 4.550 0.016 0.000 0.250 311 Y C 1.959 177.930 175.900 0.119 0.000 1.155 311 Y CA -0.176 58.017 58.100 0.155 0.000 1.249 311 Y CB 0.033 38.567 38.460 0.124 0.000 1.146 311 Y HN -0.058 nan 8.280 nan 0.000 0.524 312 S N 0.066 115.868 115.700 0.170 0.000 2.836 312 S HA 0.166 4.647 4.470 0.018 0.000 0.164 312 S C 2.090 176.746 174.600 0.094 0.000 0.714 312 S CA 0.422 58.700 58.200 0.130 0.000 0.906 312 S CB -0.715 62.552 63.200 0.111 0.000 0.702 312 S HN 0.434 nan 8.310 nan 0.000 0.571 313 G N 0.240 109.083 108.800 0.072 0.000 2.712 313 G HA2 0.434 4.405 3.960 0.018 0.000 0.212 313 G HA3 0.434 4.405 3.960 0.018 0.000 0.212 313 G C 0.735 175.665 174.900 0.051 0.000 1.142 313 G CA 0.525 45.657 45.100 0.054 0.000 0.789 313 G HN 1.033 nan 8.290 nan 0.000 0.535 314 G N -0.306 108.531 108.800 0.063 0.000 2.741 314 G HA2 -0.191 3.780 3.960 0.018 0.000 0.222 314 G HA3 -0.191 3.780 3.960 0.018 0.000 0.222 314 G C -0.242 174.704 174.900 0.077 0.000 1.364 314 G CA -0.158 44.986 45.100 0.074 0.000 0.866 314 G HN 0.899 nan 8.290 nan 0.000 0.555 315 I N -0.213 120.415 120.570 0.097 0.000 2.377 315 I HA 0.671 4.852 4.170 0.018 0.000 0.293 315 I C -0.066 176.077 176.117 0.043 0.000 0.987 315 I CA -1.057 60.298 61.300 0.093 0.000 1.185 315 I CB 1.158 39.252 38.000 0.156 0.000 1.341 315 I HN 0.497 nan 8.210 nan 0.000 0.455 316 K N 7.552 127.965 120.400 0.021 0.000 2.349 316 K HA 0.481 4.812 4.320 0.018 0.000 0.288 316 K C -0.832 175.751 176.600 -0.028 0.000 1.058 316 K CA 0.051 56.330 56.287 -0.013 0.000 0.953 316 K CB 0.912 33.398 32.500 -0.024 0.000 0.997 316 K HN 0.523 nan 8.250 nan 0.000 0.477 317 L N 4.594 125.791 121.223 -0.044 0.000 2.303 317 L HA 0.618 4.969 4.340 0.018 0.000 0.266 317 L C -2.030 174.778 176.870 -0.103 0.000 1.011 317 L CA -2.392 52.421 54.840 -0.044 0.000 0.818 317 L CB 1.829 43.870 42.059 -0.031 0.000 1.326 317 L HN 0.529 nan 8.230 nan 0.000 0.435 318 P HA 0.166 nan 4.420 nan 0.000 0.276 318 P C 0.122 177.359 177.300 -0.106 0.000 1.261 318 P CA -0.347 62.631 63.100 -0.203 0.000 0.800 318 P CB 0.850 32.403 31.700 -0.246 0.000 1.066 319 T N -0.105 114.385 114.554 -0.107 0.000 2.652 319 T HA -0.147 4.214 4.350 0.018 0.000 0.267 319 T C 1.208 175.882 174.700 -0.042 0.000 1.039 319 T CA 2.056 64.115 62.100 -0.067 0.000 1.153 319 T CB -0.881 67.950 68.868 -0.062 0.000 0.863 319 T HN 0.589 nan 8.240 nan 0.000 0.428 320 D N 0.898 121.281 120.400 -0.029 0.000 2.312 320 D HA 0.000 4.651 4.640 0.018 0.000 0.211 320 D C 2.026 178.323 176.300 -0.004 0.000 0.964 320 D CA 0.461 54.454 54.000 -0.011 0.000 0.877 320 D CB -0.208 40.593 40.800 0.001 0.000 0.924 320 D HN 0.367 nan 8.370 nan 0.000 0.515 321 I N 0.752 121.322 120.570 -0.000 0.000 2.277 321 I HA -0.099 4.081 4.170 0.018 0.000 0.243 321 I C 2.496 178.596 176.117 -0.028 0.000 1.094 321 I CA 0.491 61.791 61.300 0.001 0.000 1.393 321 I CB -0.010 38.006 38.000 0.026 0.000 1.078 321 I HN -0.045 nan 8.210 nan 0.000 0.417 322 I N 0.337 120.881 120.570 -0.042 0.000 2.928 322 I HA -0.160 4.021 4.170 0.018 0.000 0.266 322 I C 1.967 178.051 176.117 -0.056 0.000 1.234 322 I CA 0.948 62.208 61.300 -0.066 0.000 1.483 322 I CB 0.158 38.116 38.000 -0.070 0.000 1.097 322 I HN 0.125 nan 8.210 nan 0.000 0.455 323 S N 0.342 116.020 115.700 -0.037 0.000 2.527 323 S HA 0.017 4.498 4.470 0.018 0.000 0.222 323 S C 1.568 176.156 174.600 -0.020 0.000 0.985 323 S CA 0.396 58.580 58.200 -0.026 0.000 0.921 323 S CB 0.071 63.259 63.200 -0.019 0.000 0.772 323 S HN 0.388 nan 8.310 nan 0.000 0.529 324 K N 1.058 121.444 120.400 -0.023 0.000 2.374 324 K HA 0.281 4.612 4.320 0.018 0.000 0.196 324 K C 1.474 178.059 176.600 -0.024 0.000 1.023 324 K CA 0.269 56.547 56.287 -0.015 0.000 1.103 324 K CB 0.200 32.695 32.500 -0.008 0.000 0.848 324 K HN 0.496 nan 8.250 nan 0.000 0.528 325 I N -4.571 115.968 120.570 -0.052 0.000 4.139 325 I HA 0.159 4.340 4.170 0.018 0.000 0.320 325 I C 1.476 177.558 176.117 -0.058 0.000 1.290 325 I CA 0.110 61.361 61.300 -0.082 0.000 1.253 325 I CB 0.479 38.362 38.000 -0.196 0.000 1.122 325 I HN -0.205 nan 8.210 nan 0.000 0.421 326 S N 2.310 117.982 115.700 -0.046 0.000 2.399 326 S HA 0.022 4.503 4.470 0.018 0.000 0.231 326 S C -0.788 173.823 174.600 0.018 0.000 1.022 326 S CA 1.732 59.924 58.200 -0.013 0.000 0.983 326 S CB -0.877 62.313 63.200 -0.017 0.000 0.803 326 S HN 0.535 nan 8.310 nan 0.000 0.480 327 P HA 0.318 nan 4.420 nan 0.000 0.278 327 P C -0.877 176.453 177.300 0.050 0.000 1.502 327 P CA -0.117 63.003 63.100 0.033 0.000 1.114 327 P CB -0.284 31.430 31.700 0.023 0.000 1.541 328 L N -0.485 120.776 121.223 0.062 0.000 2.331 328 L HA 0.494 4.845 4.340 0.018 0.000 0.278 328 L C -2.328 174.615 176.870 0.122 0.000 1.106 328 L CA -2.267 52.626 54.840 0.089 0.000 0.824 328 L CB -1.178 40.933 42.059 0.087 0.000 1.142 328 L HN -0.250 nan 8.230 nan 0.000 0.443 329 P HA 0.020 nan 4.420 nan 0.000 0.263 329 P C 0.852 178.278 177.300 0.209 0.000 1.175 329 P CA 0.304 63.494 63.100 0.150 0.000 0.761 329 P CB 0.656 32.449 31.700 0.155 0.000 0.794 330 V N 1.102 121.114 119.914 0.162 0.000 0.481 330 V HA -0.339 3.792 4.120 0.018 0.000 0.092 330 V C 1.898 178.076 176.094 0.139 0.000 2.400 330 V CA 2.186 64.587 62.300 0.167 0.000 3.646 330 V CB -1.985 29.982 31.823 0.240 0.000 0.927 330 V HN 0.394 nan 8.190 nan 0.000 0.973 331 L N 0.948 122.277 121.223 0.177 0.000 2.275 331 L HA -0.076 4.275 4.340 0.018 0.000 0.215 331 L C 2.284 179.310 176.870 0.259 0.000 1.119 331 L CA 2.615 57.593 54.840 0.230 0.000 0.790 331 L CB -0.656 41.627 42.059 0.374 0.000 0.919 331 L HN 0.826 nan 8.230 nan 0.000 0.443 332 K N -1.116 119.389 120.400 0.174 0.000 2.439 332 K HA -0.047 4.284 4.320 0.018 0.000 0.197 332 K C 1.379 178.035 176.600 0.094 0.000 1.041 332 K CA 0.969 57.336 56.287 0.134 0.000 0.970 332 K CB -0.212 32.342 32.500 0.090 0.000 0.773 332 K HN 0.285 nan 8.250 nan 0.000 0.479 333 E N 0.534 120.779 120.200 0.075 0.000 2.340 333 E HA 0.007 4.368 4.350 0.018 0.000 0.194 333 E C 1.684 178.284 176.600 0.000 0.000 0.996 333 E CA 0.776 57.200 56.400 0.040 0.000 0.869 333 E CB 0.108 29.833 29.700 0.042 0.000 0.835 333 E HN 0.549 nan 8.360 nan 0.000 0.493 334 I N -1.766 118.782 120.570 -0.037 0.000 4.057 334 I HA 0.180 4.361 4.170 0.018 0.000 0.334 334 I C -0.165 175.771 176.117 -0.302 0.000 1.308 334 I CA -0.006 61.194 61.300 -0.166 0.000 1.125 334 I CB 0.396 38.274 38.000 -0.203 0.000 1.034 334 I HN -0.293 nan 8.210 nan 0.000 0.401 335 F N 2.061 121.977 119.950 -0.056 0.000 2.425 335 F HA 0.603 5.134 4.527 0.007 0.000 0.331 335 F C 0.859 176.600 175.800 -0.099 0.000 1.085 335 F CA -0.503 57.429 58.000 -0.114 0.000 1.028 335 F CB 0.987 39.920 39.000 -0.113 0.000 1.177 335 F HN -0.176 nan 8.300 nan 0.000 0.487 336 R N 0.345 120.894 120.500 0.082 0.000 2.608 336 R HA 0.800 5.151 4.340 0.018 0.000 0.255 336 R C -0.918 175.389 176.300 0.013 0.000 1.086 336 R CA -0.885 55.233 56.100 0.030 0.000 1.125 336 R CB 1.317 31.621 30.300 0.007 0.000 1.193 336 R HN 0.558 nan 8.270 nan 0.000 0.553 337 T N 0.168 114.725 114.554 0.004 0.000 3.097 337 T HA 0.095 4.456 4.350 0.018 0.000 0.332 337 T C -1.820 172.879 174.700 -0.003 0.000 1.269 337 T CA -0.677 61.416 62.100 -0.011 0.000 1.076 337 T CB 1.729 70.590 68.868 -0.011 0.000 1.209 337 T HN 0.484 nan 8.240 nan 0.000 0.474 338 D N 1.894 122.290 120.400 -0.007 0.000 2.485 338 D HA 0.573 5.224 4.640 0.018 0.000 0.229 338 D C 1.110 177.405 176.300 -0.009 0.000 1.101 338 D CA 1.310 55.309 54.000 -0.002 0.000 0.906 338 D CB 0.154 40.956 40.800 0.005 0.000 1.019 338 D HN 0.866 nan 8.370 nan 0.000 0.516 339 G N 3.880 112.675 108.800 -0.008 0.000 2.687 339 G HA2 -0.302 3.669 3.960 0.018 0.000 0.303 339 G HA3 -0.302 3.669 3.960 0.018 0.000 0.303 339 G C 0.238 175.126 174.900 -0.020 0.000 1.209 339 G CA 0.528 45.620 45.100 -0.012 0.000 0.968 339 G HN 0.594 nan 8.290 nan 0.000 0.549 340 E N 0.490 120.674 120.200 -0.028 0.000 4.170 340 E HA 0.399 4.760 4.350 0.018 0.000 0.199 340 E C 0.637 177.207 176.600 -0.049 0.000 1.080 340 E CA 0.506 56.884 56.400 -0.037 0.000 1.446 340 E CB 0.075 29.755 29.700 -0.034 0.000 1.170 340 E HN 0.871 nan 8.360 nan 0.000 0.429 341 Q N -0.684 119.088 119.800 -0.048 0.000 1.982 341 Q HA 0.364 4.715 4.340 0.018 0.000 0.208 341 Q C 0.082 176.054 176.000 -0.047 0.000 0.751 341 Q CA -0.150 55.618 55.803 -0.058 0.000 0.914 341 Q CB 1.040 29.735 28.738 -0.071 0.000 1.207 341 Q HN 0.147 nan 8.270 nan 0.000 0.433 342 A N 1.968 124.766 122.820 -0.038 0.000 2.258 342 A HA 0.578 4.909 4.320 0.018 0.000 0.316 342 A C -0.964 176.592 177.584 -0.047 0.000 1.279 342 A CA -0.547 51.474 52.037 -0.027 0.000 0.876 342 A CB 0.801 19.796 19.000 -0.010 0.000 1.170 342 A HN 0.276 nan 8.150 nan 0.000 0.520 343 L N 2.666 123.855 121.223 -0.057 0.000 2.281 343 L HA 0.499 4.850 4.340 0.018 0.000 0.285 343 L C 0.114 176.911 176.870 -0.121 0.000 1.074 343 L CA 0.382 55.147 54.840 -0.125 0.000 0.817 343 L CB 0.586 42.551 42.059 -0.156 0.000 1.168 343 L HN 0.694 nan 8.230 nan 0.000 0.434 344 K N 3.874 124.163 120.400 -0.184 0.000 2.340 344 K HA 0.591 4.922 4.320 0.018 0.000 0.244 344 K C -1.639 174.792 176.600 -0.283 0.000 0.973 344 K CA -0.691 55.536 56.287 -0.100 0.000 0.828 344 K CB 1.401 33.903 32.500 0.004 0.000 1.226 344 K HN 0.441 nan 8.250 nan 0.000 0.437 345 F N 2.324 122.402 119.950 0.213 0.000 2.551 345 F HA 0.383 4.929 4.527 0.031 0.000 0.316 345 F C -1.962 174.055 175.800 0.361 0.000 1.089 345 F CA -2.187 55.998 58.000 0.308 0.000 0.915 345 F CB 1.768 41.031 39.000 0.439 0.000 1.186 345 F HN 0.371 nan 8.300 nan 0.000 0.456 346 P HA 0.139 nan 4.420 nan 0.000 0.271 346 P C -2.757 174.681 177.300 0.230 0.000 1.216 346 P CA -1.431 61.801 63.100 0.220 0.000 0.776 346 P CB 0.159 31.888 31.700 0.048 0.000 0.881 347 P HA 0.168 nan 4.420 nan 0.000 0.271 347 P C -2.185 174.986 177.300 -0.214 0.000 1.226 347 P CA -1.322 61.620 63.100 -0.262 0.000 0.765 347 P CB -0.848 30.793 31.700 -0.100 0.000 0.835 348 P HA 0.053 nan 4.420 nan 0.000 0.271 348 P C 0.818 177.940 177.300 -0.297 0.000 1.216 348 P CA -0.134 62.769 63.100 -0.328 0.000 0.776 348 P CB 1.099 32.404 31.700 -0.658 0.000 0.881 349 K N 1.951 122.183 120.400 -0.281 0.000 2.160 349 K HA -0.121 4.210 4.320 0.018 0.000 0.206 349 K C 1.713 178.126 176.600 -0.311 0.000 1.047 349 K CA 1.001 57.103 56.287 -0.308 0.000 0.930 349 K CB -0.404 31.827 32.500 -0.448 0.000 0.720 349 K HN 0.142 nan 8.250 nan 0.000 0.450 350 V N 1.791 121.491 119.914 -0.356 0.000 2.546 350 V HA -0.216 3.915 4.120 0.018 0.000 0.254 350 V C 1.561 177.596 176.094 -0.098 0.000 1.076 350 V CA 2.084 64.252 62.300 -0.220 0.000 1.087 350 V CB -0.298 31.419 31.823 -0.176 0.000 0.674 350 V HN 0.436 nan 8.190 nan 0.000 0.470 351 I N -3.537 116.958 120.570 -0.125 0.000 3.974 351 I HA 0.249 4.430 4.170 0.018 0.000 0.334 351 I C 1.700 177.803 176.117 -0.023 0.000 1.437 351 I CA 0.417 61.705 61.300 -0.020 0.000 1.113 351 I CB 0.083 38.104 38.000 0.035 0.000 1.063 351 I HN 0.070 nan 8.210 nan 0.000 0.400 352 Q N 0.826 120.587 119.800 -0.065 0.000 2.230 352 Q HA -0.006 4.344 4.340 0.018 0.000 0.202 352 Q C 1.934 177.924 176.000 -0.016 0.000 0.963 352 Q CA 1.329 57.105 55.803 -0.045 0.000 0.866 352 Q CB 0.341 29.039 28.738 -0.068 0.000 0.931 352 Q HN 0.603 nan 8.270 nan 0.000 0.452 353 V N -1.262 118.645 119.914 -0.012 0.000 2.690 353 V HA 0.063 4.194 4.120 0.018 0.000 0.240 353 V C 0.673 176.775 176.094 0.014 0.000 1.078 353 V CA 0.470 62.772 62.300 0.002 0.000 1.102 353 V CB 1.190 33.014 31.823 0.002 0.000 0.800 353 V HN -0.006 nan 8.190 nan 0.000 0.479 354 S N -0.889 114.827 115.700 0.026 0.000 2.594 354 S HA 0.410 4.891 4.470 0.018 0.000 0.296 354 S C 0.358 175.006 174.600 0.080 0.000 1.124 354 S CA -0.654 57.569 58.200 0.039 0.000 1.011 354 S CB 1.867 65.088 63.200 0.034 0.000 1.016 354 S HN 0.247 nan 8.310 nan 0.000 0.485 355 K N 1.909 122.351 120.400 0.071 0.000 2.211 355 K HA -0.013 4.318 4.320 0.018 0.000 0.203 355 K C 1.584 178.327 176.600 0.238 0.000 1.050 355 K CA 1.565 57.929 56.287 0.128 0.000 0.945 355 K CB 0.072 32.538 32.500 -0.057 0.000 0.732 355 K HN 0.681 nan 8.250 nan 0.000 0.451 356 S N -1.360 114.397 115.700 0.095 0.000 2.559 356 S HA 0.256 4.737 4.470 0.018 0.000 0.226 356 S C 1.723 176.201 174.600 -0.203 0.000 1.000 356 S CA 0.011 58.178 58.200 -0.055 0.000 0.948 356 S CB 0.907 64.058 63.200 -0.081 0.000 0.870 356 S HN 0.172 nan 8.310 nan 0.000 0.497 357 A N 2.346 125.147 122.820 -0.031 0.000 2.121 357 A HA 0.035 4.366 4.320 0.018 0.000 0.218 357 A C 1.873 179.460 177.584 0.004 0.000 1.154 357 A CA 0.971 52.994 52.037 -0.024 0.000 0.679 357 A CB -1.209 17.817 19.000 0.042 0.000 0.795 357 A HN 0.927 nan 8.150 nan 0.000 0.458 358 W N -1.219 120.092 121.300 0.018 0.000 2.392 358 W HA -0.085 4.587 4.660 0.020 0.000 0.279 358 W C 1.404 177.939 176.519 0.027 0.000 1.225 358 W CA 0.994 58.354 57.345 0.024 0.000 1.233 358 W CB -0.884 28.569 29.460 -0.011 0.000 1.122 358 W HN 0.265 nan 8.180 nan 0.000 0.561 359 M N 1.171 120.201 119.600 -0.950 0.000 2.630 359 M HA -0.011 4.480 4.480 0.018 0.000 0.254 359 M C 0.706 176.819 176.300 -0.312 0.000 1.092 359 M CA 0.936 55.690 55.300 -0.911 0.000 1.087 359 M CB -0.276 31.679 32.600 -1.076 0.000 1.453 359 M HN -0.255 nan 8.290 nan 0.000 0.509 360 T N 0.603 115.068 114.554 -0.148 0.000 2.907 360 T HA 0.002 4.363 4.350 0.018 0.000 0.298 360 T C 0.629 175.393 174.700 0.107 0.000 1.017 360 T CA -0.469 61.622 62.100 -0.016 0.000 1.118 360 T CB 0.870 69.733 68.868 -0.009 0.000 0.948 360 T HN 0.161 nan 8.240 nan 0.000 0.531 361 D N 2.800 123.297 120.400 0.163 0.000 2.144 361 D HA -0.073 4.578 4.640 0.018 0.000 0.199 361 D C 1.915 178.382 176.300 0.279 0.000 0.984 361 D CA 1.270 55.442 54.000 0.288 0.000 0.834 361 D CB 0.134 41.111 40.800 0.295 0.000 0.955 361 D HN 0.634 nan 8.370 nan 0.000 0.465 362 E N 0.516 120.819 120.200 0.172 0.000 2.058 362 E HA -0.201 4.160 4.350 0.018 0.000 0.194 362 E C 1.931 178.604 176.600 0.122 0.000 0.997 362 E CA 1.218 57.694 56.400 0.126 0.000 0.801 362 E CB -0.135 29.615 29.700 0.083 0.000 0.746 362 E HN 0.175 nan 8.360 nan 0.000 0.450 363 E N 0.115 120.399 120.200 0.139 0.000 2.072 363 E HA -0.158 4.203 4.350 0.018 0.000 0.191 363 E C 1.666 178.361 176.600 0.158 0.000 0.985 363 E CA 0.741 57.227 56.400 0.142 0.000 0.801 363 E CB -0.353 29.446 29.700 0.165 0.000 0.750 363 E HN 0.283 nan 8.360 nan 0.000 0.452 364 F N 0.805 120.795 119.950 0.067 0.000 2.091 364 F HA -0.197 4.340 4.527 0.018 0.000 0.299 364 F C 2.028 177.846 175.800 0.030 0.000 1.103 364 F CA 2.094 60.127 58.000 0.054 0.000 1.228 364 F CB -0.784 38.255 39.000 0.066 0.000 0.984 364 F HN 0.106 nan 8.300 nan 0.000 0.477 365 A N 0.302 123.104 122.820 -0.030 0.000 1.929 365 A HA -0.136 4.195 4.320 0.018 0.000 0.216 365 A C 2.402 179.883 177.584 -0.172 0.000 1.176 365 A CA 1.361 53.305 52.037 -0.155 0.000 0.628 365 A CB -0.817 18.200 19.000 0.029 0.000 0.816 365 A HN 0.467 nan 8.150 nan 0.000 0.444 366 R N 0.051 120.500 120.500 -0.085 0.000 2.120 366 R HA -0.117 4.234 4.340 0.018 0.000 0.234 366 R C 1.573 177.796 176.300 -0.128 0.000 1.123 366 R CA 1.499 57.548 56.100 -0.084 0.000 0.975 366 R CB -0.202 30.097 30.300 -0.001 0.000 0.866 366 R HN 0.655 nan 8.270 nan 0.000 0.446 367 E N -0.163 119.935 120.200 -0.170 0.000 2.409 367 E HA -0.141 4.219 4.350 0.018 0.000 0.198 367 E C 1.651 178.088 176.600 -0.272 0.000 1.024 367 E CA 0.788 57.027 56.400 -0.268 0.000 0.861 367 E CB 0.061 29.568 29.700 -0.322 0.000 0.788 367 E HN 0.446 nan 8.360 nan 0.000 0.521 368 M N -0.177 119.258 119.600 -0.275 0.000 2.506 368 M HA -0.008 4.483 4.480 0.018 0.000 0.260 368 M C 1.628 177.784 176.300 -0.239 0.000 1.104 368 M CA 0.903 56.050 55.300 -0.255 0.000 1.112 368 M CB 0.288 32.717 32.600 -0.286 0.000 1.401 368 M HN 0.104 nan 8.290 nan 0.000 0.473 369 L N -1.475 119.605 121.223 -0.238 0.000 2.575 369 L HA 0.309 4.660 4.340 0.018 0.000 0.228 369 L C 1.573 178.440 176.870 -0.004 0.000 1.075 369 L CA 0.058 54.779 54.840 -0.198 0.000 0.867 369 L CB 0.123 41.990 42.059 -0.320 0.000 1.097 369 L HN 0.161 nan 8.230 nan 0.000 0.485 370 A N -0.429 122.341 122.820 -0.083 0.000 2.665 370 A HA 0.558 4.889 4.320 0.018 0.000 0.268 370 A C 0.730 178.402 177.584 0.147 0.000 1.044 370 A CA 0.286 52.270 52.037 -0.089 0.000 0.993 370 A CB -0.100 18.839 19.000 -0.101 0.000 1.229 370 A HN 0.216 nan 8.150 nan 0.000 0.576 371 G N -0.999 107.726 108.800 -0.126 0.000 2.695 371 G HA2 0.388 4.359 3.960 0.018 0.000 0.213 371 G HA3 0.388 4.359 3.960 0.018 0.000 0.213 371 G C 0.937 175.714 174.900 -0.205 0.000 1.406 371 G CA 0.545 45.318 45.100 -0.545 0.000 1.049 371 G HN 0.382 nan 8.290 nan 0.000 0.573 372 V N -0.058 119.653 119.914 -0.337 0.000 2.809 372 V HA 0.069 4.200 4.120 0.018 0.000 0.256 372 V C 0.696 176.598 176.094 -0.320 0.000 1.080 372 V CA 1.591 63.743 62.300 -0.248 0.000 1.102 372 V CB -0.258 31.345 31.823 -0.367 0.000 0.705 372 V HN 0.530 nan 8.190 nan 0.000 0.475 373 N N 0.169 118.723 118.700 -0.243 0.000 2.791 373 N HA 0.327 5.078 4.740 0.018 0.000 0.265 373 N C -2.367 173.098 175.510 -0.075 0.000 1.580 373 N CA -1.356 51.651 53.050 -0.072 0.000 0.809 373 N CB 1.512 39.997 38.487 -0.003 0.000 1.178 373 N HN 0.215 nan 8.380 nan 0.000 0.499 374 P HA 0.237 nan 4.420 nan 0.000 0.263 374 P C -0.168 177.101 177.300 -0.052 0.000 1.448 374 P CA 0.246 63.274 63.100 -0.120 0.000 0.983 374 P CB 0.212 31.823 31.700 -0.147 0.000 1.481 375 N N -0.756 117.909 118.700 -0.059 0.000 2.220 375 N HA 0.098 4.849 4.740 0.018 0.000 0.195 375 N C 1.171 176.743 175.510 0.104 0.000 1.123 375 N CA -0.128 52.944 53.050 0.037 0.000 0.874 375 N CB 0.280 38.792 38.487 0.041 0.000 0.995 375 N HN -0.052 nan 8.380 nan 0.000 0.498 376 L N 0.974 122.228 121.223 0.051 0.000 2.388 376 L HA 0.376 4.727 4.340 0.018 0.000 0.209 376 L C 0.601 177.454 176.870 -0.029 0.000 1.061 376 L CA 0.261 55.098 54.840 -0.005 0.000 0.834 376 L CB 0.047 42.051 42.059 -0.091 0.000 1.029 376 L HN 0.060 nan 8.230 nan 0.000 0.473 377 I N 1.996 122.545 120.570 -0.035 0.000 2.996 377 I HA -0.109 4.072 4.170 0.018 0.000 0.311 377 I C 0.286 176.433 176.117 0.051 0.000 1.219 377 I CA 0.545 61.827 61.300 -0.029 0.000 1.452 377 I CB 0.053 37.975 38.000 -0.130 0.000 1.319 377 I HN 0.387 nan 8.210 nan 0.000 0.564 378 R N 6.365 126.925 120.500 0.099 0.000 2.837 378 R HA 0.518 4.869 4.340 0.018 0.000 0.271 378 R C -1.351 175.087 176.300 0.230 0.000 0.993 378 R CA -0.978 55.208 56.100 0.142 0.000 0.931 378 R CB 1.112 31.454 30.300 0.069 0.000 1.206 378 R HN 0.604 nan 8.270 nan 0.000 0.474 379 C N 2.733 122.142 119.300 0.183 0.000 2.514 379 C HA 0.366 4.837 4.460 0.018 0.000 0.392 379 C C 0.204 175.146 174.990 -0.080 0.000 1.294 379 C CA -0.596 58.413 59.018 -0.015 0.000 1.957 379 C CB -0.139 27.599 27.740 -0.003 0.000 2.541 379 C HN 0.657 nan 8.230 nan 0.000 0.569 380 L N 7.276 128.397 121.223 -0.169 0.000 2.369 380 L HA 0.303 4.654 4.340 0.018 0.000 0.279 380 L C 1.071 177.912 176.870 -0.048 0.000 1.108 380 L CA 0.738 55.544 54.840 -0.057 0.000 0.852 380 L CB 0.470 42.520 42.059 -0.016 0.000 1.169 380 L HN 0.723 nan 8.230 nan 0.000 0.452 381 K N 2.077 122.473 120.400 -0.008 0.000 2.168 381 K HA 0.153 4.484 4.320 0.018 0.000 0.201 381 K C 0.018 176.634 176.600 0.026 0.000 1.049 381 K CA 0.694 56.979 56.287 -0.004 0.000 0.974 381 K CB 0.104 32.603 32.500 -0.002 0.000 0.792 381 K HN 0.806 nan 8.250 nan 0.000 0.463 382 D N -1.916 118.515 120.400 0.052 0.000 2.592 382 D HA 0.445 5.096 4.640 0.018 0.000 0.263 382 D C -1.189 175.204 176.300 0.155 0.000 1.132 382 D CA -0.722 53.331 54.000 0.088 0.000 0.996 382 D CB 1.149 41.975 40.800 0.043 0.000 1.442 382 D HN -0.110 nan 8.370 nan 0.000 0.486 383 F N 0.373 120.311 119.950 -0.021 0.000 2.574 383 F HA 0.520 5.058 4.527 0.018 0.000 0.313 383 F C -2.293 173.502 175.800 -0.008 0.000 1.130 383 F CA -1.420 56.572 58.000 -0.014 0.000 0.936 383 F CB 1.531 40.523 39.000 -0.014 0.000 1.219 383 F HN 0.343 nan 8.300 nan 0.000 0.445 384 P HA 0.419 nan 4.420 nan 0.000 0.302 384 P C -2.960 174.007 177.300 -0.556 0.000 1.301 384 P CA -0.977 61.363 63.100 -1.268 0.000 0.745 384 P CB -0.064 31.230 31.700 -0.677 0.000 1.331 385 P HA 0.448 nan 4.420 nan 0.000 0.284 385 P C -0.817 176.403 177.300 -0.133 0.000 1.287 385 P CA -0.541 62.462 63.100 -0.161 0.000 0.824 385 P CB 0.686 32.336 31.700 -0.083 0.000 1.180 386 R N -1.414 119.034 120.500 -0.086 0.000 2.888 386 R HA 0.833 5.184 4.340 0.018 0.000 0.266 386 R C -0.527 175.747 176.300 -0.043 0.000 1.020 386 R CA -0.762 55.295 56.100 -0.072 0.000 0.963 386 R CB 0.605 30.867 30.300 -0.063 0.000 1.197 386 R HN 0.299 nan 8.270 nan 0.000 0.481 387 S N -0.484 115.206 115.700 -0.016 0.000 2.638 387 S HA 0.377 4.858 4.470 0.018 0.000 0.298 387 S C -0.143 174.490 174.600 0.054 0.000 1.111 387 S CA -0.817 57.413 58.200 0.050 0.000 1.027 387 S CB 0.992 64.293 63.200 0.169 0.000 1.064 387 S HN 0.589 nan 8.310 nan 0.000 0.525 388 K N 1.953 122.408 120.400 0.091 0.000 2.387 388 K HA 0.261 4.592 4.320 0.018 0.000 0.198 388 K C -0.274 176.376 176.600 0.084 0.000 1.022 388 K CA -0.151 56.179 56.287 0.072 0.000 1.128 388 K CB -0.262 32.285 32.500 0.078 0.000 0.853 388 K HN 0.386 nan 8.250 nan 0.000 0.523 389 L N 1.684 122.979 121.223 0.120 0.000 2.452 389 L HA 0.014 4.365 4.340 0.018 0.000 0.267 389 L C 1.791 178.665 176.870 0.008 0.000 1.188 389 L CA 0.491 55.399 54.840 0.113 0.000 0.821 389 L CB 0.522 42.735 42.059 0.256 0.000 1.102 389 L HN 0.136 nan 8.230 nan 0.000 0.470 390 D N 1.040 121.443 120.400 0.005 0.000 2.119 390 D HA -0.136 4.515 4.640 0.018 0.000 0.199 390 D C 0.582 176.847 176.300 -0.057 0.000 0.987 390 D CA 2.088 56.077 54.000 -0.019 0.000 0.858 390 D CB 0.614 41.409 40.800 -0.008 0.000 1.008 390 D HN 0.568 nan 8.370 nan 0.000 0.450 391 S N -0.539 115.114 115.700 -0.078 0.000 2.941 391 S HA 0.338 4.819 4.470 0.018 0.000 0.248 391 S C -0.475 174.056 174.600 -0.115 0.000 0.962 391 S CA -0.787 57.362 58.200 -0.086 0.000 1.092 391 S CB 0.821 63.992 63.200 -0.048 0.000 1.113 391 S HN 0.030 nan 8.310 nan 0.000 0.512 392 Q N 1.285 120.951 119.800 -0.224 0.000 2.257 392 Q HA 0.526 4.877 4.340 0.018 0.000 0.262 392 Q C 0.486 176.289 176.000 -0.328 0.000 0.997 392 Q CA -0.722 54.926 55.803 -0.258 0.000 0.873 392 Q CB 1.872 30.408 28.738 -0.337 0.000 1.312 392 Q HN 0.397 nan 8.270 nan 0.000 0.450 393 V N -0.125 119.707 119.914 -0.136 0.000 3.164 393 V HA 0.152 4.283 4.120 0.018 0.000 0.388 393 V C -0.116 176.016 176.094 0.063 0.000 1.279 393 V CA 0.224 62.514 62.300 -0.017 0.000 1.426 393 V CB -1.622 30.234 31.823 0.055 0.000 1.330 393 V HN 0.876 nan 8.190 nan 0.000 0.511 394 Y N -1.111 119.247 120.300 0.097 0.000 2.442 394 Y HA 0.713 5.274 4.550 0.018 0.000 0.250 394 Y C 1.904 177.802 175.900 -0.003 0.000 1.113 394 Y CA 0.290 58.423 58.100 0.054 0.000 1.273 394 Y CB -0.132 38.371 38.460 0.071 0.000 1.138 394 Y HN 0.196 nan 8.280 nan 0.000 0.522 395 G N 0.437 109.048 108.800 -0.315 0.000 2.662 395 G HA2 -0.050 3.921 3.960 0.018 0.000 0.207 395 G HA3 -0.050 3.921 3.960 0.018 0.000 0.207 395 G C 0.835 175.658 174.900 -0.129 0.000 1.154 395 G CA 0.494 45.487 45.100 -0.178 0.000 0.837 395 G HN 0.188 nan 8.290 nan 0.000 0.580 396 D N 0.288 120.597 120.400 -0.153 0.000 2.263 396 D HA -0.013 4.638 4.640 0.018 0.000 0.208 396 D C 0.750 176.969 176.300 -0.134 0.000 0.971 396 D CA 0.896 54.833 54.000 -0.105 0.000 0.867 396 D CB -0.017 40.759 40.800 -0.040 0.000 0.929 396 D HN 0.369 nan 8.370 nan 0.000 0.492 397 H N -0.179 118.849 119.070 -0.071 0.000 2.767 397 H HA 0.131 4.698 4.556 0.018 0.000 0.235 397 H C -0.018 175.297 175.328 -0.022 0.000 1.256 397 H CA 0.408 56.435 56.048 -0.036 0.000 0.957 397 H CB 0.346 30.095 29.762 -0.022 0.000 2.117 397 H HN 0.105 nan 8.280 nan 0.000 0.602 398 T N -1.638 112.925 114.554 0.015 0.000 0.541 398 T HA -0.238 4.123 4.350 0.018 0.000 0.774 398 T C 0.498 175.188 174.700 -0.017 0.000 0.992 398 T CA 0.558 62.642 62.100 -0.027 0.000 4.077 398 T CB -0.638 68.177 68.868 -0.088 0.000 2.303 398 T HN 0.347 nan 8.240 nan 0.000 0.398 399 S N 0.367 116.012 115.700 -0.091 0.000 2.573 399 S HA 0.187 4.668 4.470 0.018 0.000 0.277 399 S C 1.174 175.732 174.600 -0.070 0.000 1.346 399 S CA 0.166 58.310 58.200 -0.092 0.000 1.034 399 S CB 0.341 63.465 63.200 -0.127 0.000 0.879 399 S HN 0.693 nan 8.310 nan 0.000 0.528 400 Q N 1.889 121.666 119.800 -0.039 0.000 2.220 400 Q HA 0.218 4.569 4.340 0.018 0.000 0.205 400 Q C -0.407 175.606 176.000 0.023 0.000 0.865 400 Q CA -0.254 55.541 55.803 -0.014 0.000 0.960 400 Q CB 0.191 28.918 28.738 -0.018 0.000 1.097 400 Q HN 0.603 nan 8.270 nan 0.000 0.493 401 I N 2.933 123.501 120.570 -0.003 0.000 2.587 401 I HA -0.002 4.179 4.170 0.018 0.000 0.284 401 I C 1.152 177.355 176.117 0.144 0.000 1.134 401 I CA 0.683 62.038 61.300 0.091 0.000 1.410 401 I CB -0.149 37.881 38.000 0.050 0.000 1.392 401 I HN 0.057 nan 8.210 nan 0.000 0.545 402 T N 3.060 117.827 114.554 0.354 0.000 2.923 402 T HA 0.380 4.741 4.350 0.018 0.000 0.281 402 T C 0.988 175.874 174.700 0.310 0.000 0.995 402 T CA -0.795 61.438 62.100 0.222 0.000 0.985 402 T CB 1.637 70.522 68.868 0.027 0.000 1.114 402 T HN 0.573 nan 8.240 nan 0.000 0.548 403 K N 0.167 120.718 120.400 0.252 0.000 2.288 403 K HA -0.030 4.301 4.320 0.018 0.000 0.201 403 K C 1.706 178.311 176.600 0.007 0.000 1.048 403 K CA 1.395 57.756 56.287 0.123 0.000 0.956 403 K CB -0.387 32.133 32.500 0.034 0.000 0.746 403 K HN 0.828 nan 8.250 nan 0.000 0.461 404 E N 0.100 120.274 120.200 -0.042 0.000 2.478 404 E HA -0.098 4.263 4.350 0.018 0.000 0.194 404 E C 1.006 177.548 176.600 -0.096 0.000 1.045 404 E CA 0.214 56.557 56.400 -0.094 0.000 0.868 404 E CB -0.311 29.313 29.700 -0.127 0.000 0.885 404 E HN 0.363 nan 8.360 nan 0.000 0.505 405 H N 1.172 120.248 119.070 0.010 0.000 2.457 405 H HA 0.070 4.637 4.556 0.018 0.000 0.294 405 H C 0.966 176.286 175.328 -0.013 0.000 1.064 405 H CA 0.875 56.925 56.048 0.004 0.000 1.330 405 H CB 0.228 30.011 29.762 0.035 0.000 1.395 405 H HN 0.199 nan 8.280 nan 0.000 0.541 406 L N 2.257 123.531 121.223 0.086 0.000 2.956 406 L HA 0.205 4.556 4.340 0.018 0.000 0.232 406 L C -0.258 176.545 176.870 -0.112 0.000 1.291 406 L CA -0.271 54.561 54.840 -0.012 0.000 1.122 406 L CB 0.082 42.132 42.059 -0.015 0.000 1.461 406 L HN 0.138 nan 8.230 nan 0.000 0.470 407 E N -0.862 119.280 120.200 -0.096 0.000 2.873 407 E HA 0.426 4.787 4.350 0.018 0.000 0.232 407 E C -2.384 174.152 176.600 -0.107 0.000 1.123 407 E CA -1.254 55.069 56.400 -0.128 0.000 0.809 407 E CB 1.119 30.755 29.700 -0.108 0.000 1.366 407 E HN 0.098 nan 8.360 nan 0.000 0.400 408 P HA 0.146 nan 4.420 nan 0.000 0.193 408 P C 0.384 177.644 177.300 -0.067 0.000 1.119 408 P CA 0.304 63.352 63.100 -0.087 0.000 0.798 408 P CB 0.219 31.868 31.700 -0.085 0.000 0.698 409 N N -1.359 117.312 118.700 -0.048 0.000 2.166 409 N HA 0.020 4.771 4.740 0.018 0.000 0.222 409 N C 1.330 176.840 175.510 -0.000 0.000 1.282 409 N CA -0.100 52.935 53.050 -0.025 0.000 0.890 409 N CB 0.142 38.619 38.487 -0.017 0.000 1.114 409 N HN -0.033 nan 8.380 nan 0.000 0.494 410 L N 1.573 122.810 121.223 0.024 0.000 1.925 410 L HA -0.001 4.350 4.340 0.018 0.000 0.215 410 L C 2.179 179.102 176.870 0.089 0.000 1.082 410 L CA 2.060 56.958 54.840 0.098 0.000 0.764 410 L CB -0.560 41.650 42.059 0.252 0.000 0.887 410 L HN 0.209 nan 8.230 nan 0.000 0.432 411 E N -1.072 119.177 120.200 0.081 0.000 2.083 411 E HA 0.078 4.439 4.350 0.018 0.000 0.193 411 E C 1.083 177.683 176.600 -0.001 0.000 0.950 411 E CA 1.006 57.452 56.400 0.076 0.000 0.849 411 E CB 0.305 30.113 29.700 0.181 0.000 0.827 411 E HN 0.616 nan 8.360 nan 0.000 0.465 412 G N 1.606 110.367 108.800 -0.066 0.000 2.142 412 G HA2 -0.224 3.747 3.960 0.018 0.000 0.225 412 G HA3 -0.224 3.747 3.960 0.018 0.000 0.225 412 G C 0.212 175.076 174.900 -0.059 0.000 1.015 412 G CA 0.497 45.556 45.100 -0.068 0.000 0.716 412 G HN 0.147 nan 8.290 nan 0.000 0.508 413 L N 1.000 122.184 121.223 -0.065 0.000 2.472 413 L HA 0.482 4.833 4.340 0.018 0.000 0.260 413 L C 1.773 178.584 176.870 -0.098 0.000 1.209 413 L CA 0.106 54.915 54.840 -0.052 0.000 0.817 413 L CB 0.344 42.398 42.059 -0.008 0.000 1.106 413 L HN 0.442 nan 8.230 nan 0.000 0.479 414 T N -2.003 112.499 114.554 -0.086 0.000 2.788 414 T HA 0.168 4.529 4.350 0.018 0.000 0.287 414 T C 1.209 175.812 174.700 -0.162 0.000 1.007 414 T CA -0.909 61.121 62.100 -0.117 0.000 1.005 414 T CB 1.255 70.067 68.868 -0.093 0.000 1.012 414 T HN 0.260 nan 8.240 nan 0.000 0.530 415 V N 0.914 120.689 119.914 -0.232 0.000 2.332 415 V HA -0.148 3.983 4.120 0.018 0.000 0.248 415 V C 2.631 178.549 176.094 -0.293 0.000 1.055 415 V CA 2.380 64.461 62.300 -0.364 0.000 1.038 415 V CB -0.984 30.447 31.823 -0.653 0.000 0.651 415 V HN 1.043 nan 8.190 nan 0.000 0.450 416 D N -0.107 120.165 120.400 -0.213 0.000 2.144 416 D HA -0.189 4.462 4.640 0.018 0.000 0.199 416 D C 2.176 178.425 176.300 -0.085 0.000 0.984 416 D CA 1.451 55.373 54.000 -0.130 0.000 0.834 416 D CB -0.037 40.712 40.800 -0.086 0.000 0.955 416 D HN 0.553 nan 8.370 nan 0.000 0.465 417 E N -0.646 119.511 120.200 -0.073 0.000 2.152 417 E HA 0.001 4.362 4.350 0.018 0.000 0.192 417 E C 2.006 178.597 176.600 -0.016 0.000 0.983 417 E CA 0.730 57.108 56.400 -0.036 0.000 0.818 417 E CB -0.009 29.677 29.700 -0.025 0.000 0.758 417 E HN 0.312 nan 8.360 nan 0.000 0.467 418 A N 0.957 123.765 122.820 -0.019 0.000 1.929 418 A HA -0.113 4.218 4.320 0.018 0.000 0.216 418 A C 2.095 179.667 177.584 -0.019 0.000 1.176 418 A CA 0.761 52.827 52.037 0.048 0.000 0.628 418 A CB -0.366 18.696 19.000 0.105 0.000 0.816 418 A HN 0.127 nan 8.150 nan 0.000 0.444 419 I N -0.868 119.660 120.570 -0.071 0.000 2.202 419 I HA -0.273 3.907 4.170 0.018 0.000 0.242 419 I C 2.756 178.837 176.117 -0.060 0.000 1.091 419 I CA 1.404 62.655 61.300 -0.082 0.000 1.368 419 I CB -0.717 37.236 38.000 -0.077 0.000 1.058 419 I HN 0.456 nan 8.210 nan 0.000 0.410 420 Q N 0.908 120.683 119.800 -0.042 0.000 2.077 420 Q HA -0.211 4.140 4.340 0.018 0.000 0.206 420 Q C 1.156 177.143 176.000 -0.021 0.000 0.989 420 Q CA 1.563 57.350 55.803 -0.027 0.000 0.853 420 Q CB -0.044 28.681 28.738 -0.021 0.000 0.907 420 Q HN 0.491 nan 8.270 nan 0.000 0.418 421 N N 0.733 119.425 118.700 -0.014 0.000 2.322 421 N HA -0.010 4.741 4.740 0.018 0.000 0.216 421 N C -0.794 174.709 175.510 -0.012 0.000 1.144 421 N CA 0.248 53.296 53.050 -0.003 0.000 0.830 421 N CB 0.627 39.123 38.487 0.014 0.000 1.034 421 N HN 0.097 nan 8.380 nan 0.000 0.484 422 K N 0.164 120.535 120.400 -0.049 0.000 3.156 422 K HA -0.226 4.105 4.320 0.018 0.000 0.266 422 K C 0.460 176.974 176.600 -0.144 0.000 0.966 422 K CA 0.410 56.634 56.287 -0.106 0.000 0.719 422 K CB -1.795 30.695 32.500 -0.017 0.000 1.333 422 K HN 0.469 nan 8.250 nan 0.000 0.468 423 R N -0.391 120.022 120.500 -0.145 0.000 2.365 423 R HA 0.278 4.629 4.340 0.018 0.000 0.223 423 R C 0.611 176.854 176.300 -0.096 0.000 0.899 423 R CA -0.120 55.947 56.100 -0.056 0.000 1.059 423 R CB 0.510 30.820 30.300 0.015 0.000 1.086 423 R HN 0.101 nan 8.270 nan 0.000 0.522 424 L N 1.352 122.381 121.223 -0.324 0.000 2.295 424 L HA 0.454 4.805 4.340 0.018 0.000 0.285 424 L C -0.863 175.614 176.870 -0.655 0.000 1.035 424 L CA -0.529 54.182 54.840 -0.215 0.000 0.806 424 L CB 1.056 43.090 42.059 -0.042 0.000 1.214 424 L HN -0.143 nan 8.230 nan 0.000 0.426 425 F N 3.151 123.159 119.950 0.096 0.000 2.593 425 F HA 0.621 5.159 4.527 0.019 0.000 0.320 425 F C -0.472 175.366 175.800 0.064 0.000 1.060 425 F CA -0.814 57.215 58.000 0.050 0.000 0.940 425 F CB 2.016 41.014 39.000 -0.004 0.000 1.268 425 F HN 0.145 nan 8.300 nan 0.000 0.475 426 L N 2.817 124.160 121.223 0.199 0.000 2.386 426 L HA 0.584 4.935 4.340 0.018 0.000 0.271 426 L C -1.793 175.120 176.870 0.071 0.000 0.993 426 L CA -0.518 54.395 54.840 0.122 0.000 0.819 426 L CB 1.872 43.977 42.059 0.075 0.000 1.294 426 L HN 0.598 nan 8.230 nan 0.000 0.414 427 L N 4.701 125.955 121.223 0.051 0.000 2.301 427 L HA 0.431 4.782 4.340 0.018 0.000 0.278 427 L C -1.187 175.648 176.870 -0.058 0.000 1.022 427 L CA -0.257 54.562 54.840 -0.034 0.000 0.854 427 L CB 1.066 43.130 42.059 0.008 0.000 1.226 427 L HN 0.654 nan 8.230 nan 0.000 0.429 428 D N 3.513 123.816 120.400 -0.162 0.000 2.392 428 D HA 0.206 4.857 4.640 0.018 0.000 0.228 428 D C 0.014 176.170 176.300 -0.241 0.000 1.074 428 D CA -0.177 53.765 54.000 -0.097 0.000 0.838 428 D CB 0.726 41.503 40.800 -0.039 0.000 1.067 428 D HN 0.486 nan 8.370 nan 0.000 0.511 429 H N 2.342 121.467 119.070 0.091 0.000 2.492 429 H HA 0.048 4.615 4.556 0.018 0.000 0.264 429 H C 0.614 176.040 175.328 0.163 0.000 1.150 429 H CA -0.100 56.013 56.048 0.107 0.000 0.962 429 H CB 0.436 30.276 29.762 0.131 0.000 1.766 429 H HN 0.612 nan 8.280 nan 0.000 0.589 430 H N 0.580 119.736 119.070 0.144 0.000 2.306 430 H HA -0.055 4.512 4.556 0.018 0.000 0.307 430 H C 1.273 176.661 175.328 0.102 0.000 1.061 430 H CA 1.451 57.560 56.048 0.102 0.000 1.359 430 H CB 0.736 30.528 29.762 0.050 0.000 1.407 430 H HN 0.111 nan 8.280 nan 0.000 0.517 431 D N 0.349 120.929 120.400 0.300 0.000 2.097 431 D HA -0.093 4.558 4.640 0.018 0.000 0.197 431 D C -0.549 175.857 176.300 0.176 0.000 0.984 431 D CA 1.118 55.270 54.000 0.254 0.000 0.826 431 D CB -1.566 39.383 40.800 0.249 0.000 0.973 431 D HN 0.439 nan 8.370 nan 0.000 0.460 432 P HA -0.044 nan 4.420 nan 0.000 0.217 432 P C 1.759 179.050 177.300 -0.016 0.000 1.150 432 P CA 0.643 63.818 63.100 0.125 0.000 0.832 432 P CB 0.156 32.004 31.700 0.247 0.000 0.787 433 I N -2.314 118.260 120.570 0.008 0.000 2.852 433 I HA -0.102 4.079 4.170 0.018 0.000 0.264 433 I C 1.949 178.055 176.117 -0.018 0.000 1.179 433 I CA 0.554 61.815 61.300 -0.066 0.000 1.480 433 I CB -0.107 37.943 38.000 0.083 0.000 1.111 433 I HN -0.134 nan 8.210 nan 0.000 0.441 434 M N 2.284 121.857 119.600 -0.045 0.000 2.088 434 M HA -0.146 4.345 4.480 0.018 0.000 0.256 434 M C -0.914 175.373 176.300 -0.022 0.000 1.071 434 M CA 2.304 57.549 55.300 -0.091 0.000 1.097 434 M CB -2.047 30.469 32.600 -0.139 0.000 1.315 434 M HN 0.020 nan 8.290 nan 0.000 0.406 435 P HA -0.069 nan 4.420 nan 0.000 0.230 435 P C 0.530 177.662 177.300 -0.280 0.000 1.158 435 P CA 1.232 64.273 63.100 -0.098 0.000 0.769 435 P CB -0.236 31.392 31.700 -0.119 0.000 0.807 436 Y N -2.350 117.861 120.300 -0.148 0.000 2.444 436 Y HA 0.159 4.720 4.550 0.019 0.000 0.249 436 Y C 1.867 177.656 175.900 -0.185 0.000 1.134 436 Y CA -0.288 57.666 58.100 -0.243 0.000 1.261 436 Y CB -0.208 38.057 38.460 -0.324 0.000 1.143 436 Y HN -0.204 nan 8.280 nan 0.000 0.523 437 L N 0.527 121.746 121.223 -0.007 0.000 2.079 437 L HA -0.214 4.137 4.340 0.018 0.000 0.210 437 L C 2.509 179.366 176.870 -0.022 0.000 1.081 437 L CA 1.751 56.586 54.840 -0.008 0.000 0.752 437 L CB -0.476 41.553 42.059 -0.050 0.000 0.896 437 L HN 0.105 nan 8.230 nan 0.000 0.433 438 R N -0.972 119.491 120.500 -0.062 0.000 2.081 438 R HA -0.128 4.223 4.340 0.018 0.000 0.235 438 R C 2.429 178.726 176.300 -0.006 0.000 1.131 438 R CA 1.381 57.450 56.100 -0.053 0.000 0.960 438 R CB -0.101 30.173 30.300 -0.043 0.000 0.856 438 R HN 0.266 nan 8.270 nan 0.000 0.436 439 R N -0.154 120.331 120.500 -0.024 0.000 2.066 439 R HA -0.055 4.296 4.340 0.018 0.000 0.232 439 R C 2.336 178.719 176.300 0.139 0.000 1.131 439 R CA 1.735 57.849 56.100 0.025 0.000 0.955 439 R CB -0.363 29.850 30.300 -0.144 0.000 0.851 439 R HN 0.271 nan 8.270 nan 0.000 0.432 440 I N 1.389 122.039 120.570 0.134 0.000 2.208 440 I HA -0.283 3.898 4.170 0.018 0.000 0.245 440 I C 1.296 177.474 176.117 0.101 0.000 1.097 440 I CA 1.175 62.590 61.300 0.190 0.000 1.363 440 I CB -0.265 37.848 38.000 0.188 0.000 1.051 440 I HN 0.171 nan 8.210 nan 0.000 0.413 441 N N 0.771 119.506 118.700 0.058 0.000 2.461 441 N HA 0.045 4.796 4.740 0.018 0.000 0.188 441 N C 1.441 176.957 175.510 0.011 0.000 1.134 441 N CA 0.796 53.856 53.050 0.017 0.000 0.878 441 N CB 0.124 38.661 38.487 0.083 0.000 0.972 441 N HN 0.291 nan 8.380 nan 0.000 0.456 442 A N -0.359 122.484 122.820 0.038 0.000 2.218 442 A HA 0.127 4.458 4.320 0.018 0.000 0.209 442 A C 1.167 178.768 177.584 0.029 0.000 1.168 442 A CA 0.385 52.443 52.037 0.035 0.000 0.804 442 A CB -0.013 19.016 19.000 0.050 0.000 0.834 442 A HN 0.094 nan 8.150 nan 0.000 0.482 443 T N -0.595 113.979 114.554 0.033 0.000 2.880 443 T HA 0.283 4.644 4.350 0.018 0.000 0.279 443 T C 1.643 176.330 174.700 -0.021 0.000 0.990 443 T CA 0.173 62.283 62.100 0.016 0.000 0.938 443 T CB 1.137 70.031 68.868 0.044 0.000 1.206 443 T HN 0.337 nan 8.240 nan 0.000 0.573 444 S N 0.051 115.734 115.700 -0.029 0.000 2.440 444 S HA -0.076 4.405 4.470 0.018 0.000 0.240 444 S C 1.013 175.572 174.600 -0.068 0.000 1.014 444 S CA 0.756 58.927 58.200 -0.049 0.000 0.980 444 S CB -0.660 62.515 63.200 -0.042 0.000 0.775 444 S HN 0.656 nan 8.310 nan 0.000 0.499 445 T N 3.215 117.739 114.554 -0.050 0.000 2.910 445 T HA 0.358 4.719 4.350 0.018 0.000 0.293 445 T C -0.076 174.543 174.700 -0.136 0.000 1.015 445 T CA -0.257 61.808 62.100 -0.057 0.000 1.094 445 T CB 0.619 69.493 68.868 0.010 0.000 0.968 445 T HN 0.056 nan 8.240 nan 0.000 0.521 446 K N 1.826 122.102 120.400 -0.208 0.000 2.463 446 K HA 0.736 5.067 4.320 0.018 0.000 0.255 446 K C -0.818 175.664 176.600 -0.196 0.000 0.942 446 K CA -0.589 55.431 56.287 -0.446 0.000 0.814 446 K CB 2.229 34.133 32.500 -0.994 0.000 1.122 446 K HN 0.696 nan 8.250 nan 0.000 0.425 447 A N 2.921 125.698 122.820 -0.072 0.000 2.527 447 A HA 0.829 5.160 4.320 0.018 0.000 0.293 447 A C -1.709 175.826 177.584 -0.081 0.000 1.117 447 A CA -0.651 51.415 52.037 0.049 0.000 0.723 447 A CB 1.126 20.208 19.000 0.135 0.000 1.313 447 A HN 0.544 nan 8.150 nan 0.000 0.411 448 Y N -0.379 119.978 120.300 0.096 0.000 2.524 448 Y HA 0.627 5.188 4.550 0.018 0.000 0.344 448 Y C 0.641 176.567 175.900 0.043 0.000 1.012 448 Y CA -0.300 57.813 58.100 0.022 0.000 1.068 448 Y CB 2.203 40.616 38.460 -0.079 0.000 1.249 448 Y HN 0.878 nan 8.280 nan 0.000 0.468 449 A N 1.484 124.385 122.820 0.136 0.000 2.320 449 A HA 0.615 4.946 4.320 0.018 0.000 0.287 449 A C -0.067 177.595 177.584 0.129 0.000 1.181 449 A CA -0.252 51.806 52.037 0.034 0.000 0.831 449 A CB -0.207 18.596 19.000 -0.329 0.000 1.102 449 A HN 0.705 nan 8.150 nan 0.000 0.513 450 T N 0.608 115.287 114.554 0.209 0.000 2.924 450 T HA 0.796 5.157 4.350 0.018 0.000 0.291 450 T C -0.393 174.461 174.700 0.257 0.000 1.045 450 T CA -0.893 61.346 62.100 0.230 0.000 1.015 450 T CB 1.414 70.422 68.868 0.233 0.000 1.103 450 T HN 0.678 nan 8.240 nan 0.000 0.496 451 R N 0.479 121.107 120.500 0.213 0.000 2.628 451 R HA 0.693 5.044 4.340 0.018 0.000 0.288 451 R C -0.882 175.527 176.300 0.182 0.000 0.980 451 R CA -0.829 55.379 56.100 0.179 0.000 0.891 451 R CB 2.324 32.702 30.300 0.130 0.000 1.188 451 R HN 0.886 nan 8.270 nan 0.000 0.450 452 T N 1.855 116.521 114.554 0.187 0.000 2.893 452 T HA 0.628 4.989 4.350 0.018 0.000 0.291 452 T C -0.804 174.020 174.700 0.207 0.000 1.028 452 T CA -0.597 61.638 62.100 0.225 0.000 0.995 452 T CB 1.045 70.100 68.868 0.311 0.000 1.051 452 T HN 0.315 nan 8.240 nan 0.000 0.470 453 I N 3.794 124.506 120.570 0.236 0.000 2.441 453 I HA 0.588 4.769 4.170 0.018 0.000 0.295 453 I C -0.829 175.451 176.117 0.272 0.000 0.994 453 I CA -0.525 60.915 61.300 0.233 0.000 1.144 453 I CB 1.753 39.889 38.000 0.227 0.000 1.314 453 I HN 0.572 nan 8.210 nan 0.000 0.445 454 L N 6.090 127.486 121.223 0.288 0.000 2.370 454 L HA 0.580 4.931 4.340 0.018 0.000 0.266 454 L C -1.028 176.091 176.870 0.415 0.000 1.002 454 L CA -0.478 54.554 54.840 0.320 0.000 0.818 454 L CB 1.839 44.046 42.059 0.247 0.000 1.325 454 L HN 0.402 nan 8.230 nan 0.000 0.418 455 F N 2.267 122.335 119.950 0.197 0.000 2.529 455 F HA 0.612 5.150 4.527 0.018 0.000 0.320 455 F C -0.874 175.030 175.800 0.174 0.000 1.118 455 F CA -1.111 56.996 58.000 0.177 0.000 0.915 455 F CB 1.590 40.651 39.000 0.102 0.000 1.161 455 F HN 0.332 nan 8.300 nan 0.000 0.445 456 L N 7.227 128.237 121.223 -0.354 0.000 2.325 456 L HA 0.332 4.683 4.340 0.018 0.000 0.284 456 L C -0.403 175.998 176.870 -0.782 0.000 1.089 456 L CA 0.080 54.690 54.840 -0.382 0.000 0.836 456 L CB 0.106 42.093 42.059 -0.120 0.000 1.184 456 L HN 0.601 nan 8.230 nan 0.000 0.444 457 K N 3.380 123.545 120.400 -0.392 0.000 2.149 457 K HA 0.112 4.443 4.320 0.018 0.000 0.245 457 K C 0.803 177.305 176.600 -0.163 0.000 1.024 457 K CA -0.143 56.006 56.287 -0.231 0.000 0.899 457 K CB 0.448 32.928 32.500 -0.034 0.000 1.038 457 K HN 0.550 nan 8.250 nan 0.000 0.496 458 N N 1.188 119.847 118.700 -0.069 0.000 2.396 458 N HA -0.140 4.611 4.740 0.018 0.000 0.180 458 N C 0.593 176.085 175.510 -0.029 0.000 1.028 458 N CA 1.107 54.134 53.050 -0.039 0.000 0.893 458 N CB -0.014 38.475 38.487 0.002 0.000 0.967 458 N HN 0.537 nan 8.380 nan 0.000 0.440 459 D N -1.189 119.196 120.400 -0.023 0.000 2.349 459 D HA 0.106 4.757 4.640 0.018 0.000 0.224 459 D C 1.204 177.488 176.300 -0.027 0.000 1.029 459 D CA 0.536 54.526 54.000 -0.016 0.000 0.879 459 D CB -0.460 40.338 40.800 -0.003 0.000 0.906 459 D HN 0.166 nan 8.370 nan 0.000 0.528 460 G N -0.090 108.680 108.800 -0.050 0.000 2.176 460 G HA2 -0.259 3.712 3.960 0.018 0.000 0.253 460 G HA3 -0.259 3.712 3.960 0.018 0.000 0.253 460 G C 0.456 175.314 174.900 -0.070 0.000 0.979 460 G CA 0.603 45.667 45.100 -0.060 0.000 0.641 460 G HN 0.820 nan 8.290 nan 0.000 0.530 461 T N -1.633 112.886 114.554 -0.059 0.000 2.927 461 T HA 0.771 5.132 4.350 0.018 0.000 0.281 461 T C -0.097 174.563 174.700 -0.067 0.000 0.998 461 T CA -0.844 61.224 62.100 -0.054 0.000 1.019 461 T CB 2.626 71.486 68.868 -0.013 0.000 1.061 461 T HN 0.638 nan 8.240 nan 0.000 0.518 462 L N 1.699 122.886 121.223 -0.060 0.000 2.322 462 L HA 0.717 5.068 4.340 0.018 0.000 0.279 462 L C -0.027 176.879 176.870 0.060 0.000 1.036 462 L CA -0.526 54.292 54.840 -0.038 0.000 0.807 462 L CB 1.414 43.405 42.059 -0.113 0.000 1.226 462 L HN 1.013 nan 8.230 nan 0.000 0.433 463 R N 4.103 124.688 120.500 0.140 0.000 2.673 463 R HA 0.719 5.070 4.340 0.018 0.000 0.281 463 R C -2.938 173.532 176.300 0.283 0.000 0.991 463 R CA -1.673 54.552 56.100 0.209 0.000 0.896 463 R CB 1.350 31.762 30.300 0.187 0.000 1.201 463 R HN 0.293 nan 8.270 nan 0.000 0.457 464 P HA 0.089 nan 4.420 nan 0.000 0.275 464 P C -0.611 176.898 177.300 0.349 0.000 1.227 464 P CA -0.433 62.941 63.100 0.456 0.000 0.781 464 P CB 1.196 33.331 31.700 0.726 0.000 0.906 465 L N 2.166 123.572 121.223 0.305 0.000 2.609 465 L HA 0.474 4.825 4.340 0.018 0.000 0.230 465 L C 0.794 177.759 176.870 0.159 0.000 1.064 465 L CA 0.667 55.606 54.840 0.164 0.000 0.873 465 L CB -0.166 41.977 42.059 0.141 0.000 1.139 465 L HN 0.524 nan 8.230 nan 0.000 0.490 466 A N -0.479 122.514 122.820 0.289 0.000 2.540 466 A HA 0.676 5.007 4.320 0.018 0.000 0.297 466 A C -1.445 176.343 177.584 0.339 0.000 1.056 466 A CA -0.248 51.948 52.037 0.265 0.000 0.700 466 A CB 1.018 20.097 19.000 0.132 0.000 1.280 466 A HN -0.046 nan 8.150 nan 0.000 0.398 467 I N 1.447 122.237 120.570 0.366 0.000 2.418 467 I HA 0.345 4.526 4.170 0.018 0.000 0.287 467 I C -0.069 176.173 176.117 0.209 0.000 1.008 467 I CA -0.232 61.228 61.300 0.267 0.000 1.104 467 I CB 2.010 40.113 38.000 0.173 0.000 1.264 467 I HN 0.825 nan 8.210 nan 0.000 0.438 468 E N 7.478 127.764 120.200 0.144 0.000 2.115 468 E HA 0.422 4.783 4.350 0.018 0.000 0.282 468 E C -1.331 175.333 176.600 0.106 0.000 0.987 468 E CA -0.584 55.872 56.400 0.092 0.000 0.797 468 E CB 0.986 30.727 29.700 0.069 0.000 1.086 468 E HN 0.511 nan 8.360 nan 0.000 0.397 469 L N 3.661 124.926 121.223 0.071 0.000 2.265 469 L HA 0.360 4.711 4.340 0.018 0.000 0.289 469 L C -0.169 176.746 176.870 0.075 0.000 1.033 469 L CA -0.516 54.300 54.840 -0.039 0.000 0.814 469 L CB 1.507 43.284 42.059 -0.470 0.000 1.203 469 L HN 0.429 nan 8.230 nan 0.000 0.423 470 S N 3.847 119.648 115.700 0.169 0.000 2.537 470 S HA 0.753 5.234 4.470 0.018 0.000 0.301 470 S C -0.359 174.338 174.600 0.161 0.000 1.092 470 S CA -0.524 57.765 58.200 0.148 0.000 1.048 470 S CB 2.005 65.282 63.200 0.130 0.000 1.053 470 S HN 0.371 nan 8.310 nan 0.000 0.501 471 L N 3.093 124.402 121.223 0.144 0.000 2.333 471 L HA 0.608 4.959 4.340 0.018 0.000 0.263 471 L C -2.500 174.364 176.870 -0.010 0.000 1.014 471 L CA -2.525 52.340 54.840 0.041 0.000 0.820 471 L CB 2.614 44.713 42.059 0.067 0.000 1.352 471 L HN 0.395 nan 8.230 nan 0.000 0.421 472 P HA 0.260 nan 4.420 nan 0.000 0.298 472 P C -1.385 175.685 177.300 -0.384 0.000 1.365 472 P CA -0.255 62.729 63.100 -0.194 0.000 0.835 472 P CB 0.443 31.962 31.700 -0.303 0.000 0.948 473 H N 2.185 121.297 119.070 0.069 0.000 3.025 473 H HA -0.130 4.437 4.556 0.018 0.000 0.306 473 H C -2.142 173.149 175.328 -0.062 0.000 0.903 473 H CA -0.302 55.765 56.048 0.032 0.000 0.966 473 H CB -2.576 27.212 29.762 0.043 0.000 1.577 473 H HN 0.278 nan 8.280 nan 0.000 0.333 474 P HA -0.134 nan 4.420 nan 0.000 0.215 474 P C -0.073 177.225 177.300 -0.005 0.000 1.157 474 P CA 2.182 65.186 63.100 -0.160 0.000 0.868 474 P CB 0.271 31.790 31.700 -0.302 0.000 0.788 475 Q N -1.442 118.384 119.800 0.044 0.000 2.342 475 Q HA 0.647 4.998 4.340 0.018 0.000 0.267 475 Q C 0.396 176.432 176.000 0.060 0.000 1.038 475 Q CA -0.480 55.357 55.803 0.056 0.000 0.832 475 Q CB 1.905 30.651 28.738 0.013 0.000 1.323 475 Q HN 0.176 nan 8.270 nan 0.000 0.448 476 G N 0.864 109.629 108.800 -0.059 0.000 2.395 476 G HA2 -0.003 3.967 3.960 0.018 0.000 0.201 476 G HA3 -0.003 3.967 3.960 0.018 0.000 0.201 476 G C -0.397 174.064 174.900 -0.731 0.000 1.206 476 G CA 0.255 45.221 45.100 -0.224 0.000 1.210 476 G HN 0.710 nan 8.290 nan 0.000 0.557 477 D N -2.135 117.974 120.400 -0.485 0.000 1.422 477 D HA -0.007 4.644 4.640 0.018 0.000 0.858 477 D C 0.678 176.941 176.300 -0.061 0.000 0.332 477 D CA 0.841 54.618 54.000 -0.371 0.000 1.358 477 D CB -0.683 39.920 40.800 -0.329 0.000 1.120 477 D HN 0.584 nan 8.370 nan 0.000 0.376 478 Q N 0.553 120.309 119.800 -0.073 0.000 2.443 478 Q HA 0.472 4.823 4.340 0.018 0.000 0.232 478 Q C 0.277 176.285 176.000 0.012 0.000 1.026 478 Q CA 1.003 56.791 55.803 -0.026 0.000 0.924 478 Q CB 1.025 29.741 28.738 -0.037 0.000 1.256 478 Q HN 0.210 nan 8.270 nan 0.000 0.519 479 S N -1.128 114.585 115.700 0.022 0.000 2.765 479 S HA -0.213 4.268 4.470 0.018 0.000 0.266 479 S C 0.569 175.240 174.600 0.119 0.000 1.302 479 S CA 0.582 58.812 58.200 0.051 0.000 1.274 479 S CB -1.956 61.272 63.200 0.048 0.000 1.559 479 S HN 1.364 nan 8.310 nan 0.000 0.658 480 G N 1.100 110.005 108.800 0.174 0.000 2.512 480 G HA2 0.255 4.226 3.960 0.018 0.000 0.240 480 G HA3 0.255 4.226 3.960 0.018 0.000 0.240 480 G C -0.161 175.037 174.900 0.497 0.000 1.246 480 G CA 0.065 45.377 45.100 0.354 0.000 0.919 480 G HN 1.851 nan 8.290 nan 0.000 0.577 481 A N -0.452 122.680 122.820 0.519 0.000 2.289 481 A HA 0.663 4.994 4.320 0.018 0.000 0.298 481 A C -0.403 177.328 177.584 0.244 0.000 1.208 481 A CA -0.041 52.184 52.037 0.312 0.000 0.845 481 A CB 0.554 19.683 19.000 0.214 0.000 1.125 481 A HN 1.740 nan 8.150 nan 0.000 0.517 482 F N 3.586 123.581 119.950 0.075 0.000 2.404 482 F HA 0.442 4.980 4.527 0.018 0.000 0.359 482 F C 0.205 176.026 175.800 0.037 0.000 1.134 482 F CA 0.492 58.515 58.000 0.039 0.000 1.160 482 F CB 0.514 39.516 39.000 0.004 0.000 1.186 482 F HN 0.435 nan 8.300 nan 0.000 0.526 483 S N 4.990 120.480 115.700 -0.349 0.000 2.536 483 S HA 0.515 4.996 4.470 0.018 0.000 0.298 483 S C -0.977 173.394 174.600 -0.383 0.000 1.083 483 S CA -0.815 57.245 58.200 -0.234 0.000 0.995 483 S CB 2.019 65.166 63.200 -0.087 0.000 1.058 483 S HN 0.636 nan 8.310 nan 0.000 0.488 484 Q N 1.058 120.707 119.800 -0.251 0.000 2.377 484 Q HA 0.701 5.052 4.340 0.018 0.000 0.271 484 Q C -1.051 174.755 176.000 -0.324 0.000 1.077 484 Q CA -0.899 54.710 55.803 -0.324 0.000 0.820 484 Q CB 2.416 30.999 28.738 -0.260 0.000 1.347 484 Q HN 0.559 nan 8.270 nan 0.000 0.444 485 V N 0.298 119.910 119.914 -0.503 0.000 2.628 485 V HA 0.750 4.881 4.120 0.018 0.000 0.306 485 V C -1.614 174.090 176.094 -0.649 0.000 1.045 485 V CA -0.388 61.649 62.300 -0.439 0.000 0.905 485 V CB 1.065 32.625 31.823 -0.437 0.000 0.997 485 V HN 0.652 nan 8.190 nan 0.000 0.436 486 F N 4.715 124.662 119.950 -0.005 0.000 2.577 486 F HA 0.853 5.391 4.527 0.019 0.000 0.318 486 F C -0.513 175.419 175.800 0.220 0.000 1.065 486 F CA -0.896 57.184 58.000 0.134 0.000 0.929 486 F CB 2.139 41.272 39.000 0.221 0.000 1.237 486 F HN 0.389 nan 8.300 nan 0.000 0.468 487 L N 2.692 124.092 121.223 0.295 0.000 2.370 487 L HA 0.630 4.980 4.340 0.018 0.000 0.266 487 L C -2.448 174.078 176.870 -0.574 0.000 1.002 487 L CA -2.892 51.894 54.840 -0.090 0.000 0.818 487 L CB 1.732 43.756 42.059 -0.059 0.000 1.325 487 L HN 0.253 nan 8.230 nan 0.000 0.418 488 P HA 0.370 nan 4.420 nan 0.000 0.266 488 P C -1.338 175.503 177.300 -0.764 0.000 1.195 488 P CA -0.111 61.947 63.100 -1.736 0.000 0.768 488 P CB 0.683 31.736 31.700 -1.078 0.000 0.838 489 A N 2.153 124.609 122.820 -0.607 0.000 2.520 489 A HA 0.395 4.726 4.320 0.018 0.000 0.298 489 A C 0.219 177.720 177.584 -0.137 0.000 1.051 489 A CA -0.341 51.558 52.037 -0.230 0.000 0.690 489 A CB 1.159 20.110 19.000 -0.083 0.000 1.281 489 A HN 0.400 nan 8.150 nan 0.000 0.402 490 D N 0.381 120.726 120.400 -0.090 0.000 2.271 490 D HA 0.071 4.722 4.640 0.018 0.000 0.206 490 D C 0.641 176.924 176.300 -0.029 0.000 0.967 490 D CA 1.621 55.589 54.000 -0.054 0.000 0.867 490 D CB 0.445 41.214 40.800 -0.050 0.000 0.960 490 D HN 0.730 nan 8.370 nan 0.000 0.509 491 E N -1.524 118.663 120.200 -0.022 0.000 2.454 491 E HA 0.488 4.849 4.350 0.018 0.000 0.279 491 E C 0.261 176.860 176.600 -0.003 0.000 1.029 491 E CA -0.706 55.686 56.400 -0.014 0.000 0.831 491 E CB 1.300 30.990 29.700 -0.017 0.000 1.405 491 E HN 0.038 nan 8.360 nan 0.000 0.463 492 G N -0.104 108.692 108.800 -0.006 0.000 2.642 492 G HA2 -0.282 3.689 3.960 0.018 0.000 0.231 492 G HA3 -0.282 3.689 3.960 0.018 0.000 0.231 492 G C 0.574 175.472 174.900 -0.003 0.000 1.338 492 G CA 0.091 45.192 45.100 0.001 0.000 0.883 492 G HN 1.015 nan 8.290 nan 0.000 0.570 493 V N 0.480 120.393 119.914 -0.001 0.000 2.667 493 V HA 0.025 4.156 4.120 0.018 0.000 0.252 493 V C 2.585 178.685 176.094 0.010 0.000 1.065 493 V CA 3.058 65.330 62.300 -0.046 0.000 1.083 493 V CB -0.556 31.188 31.823 -0.131 0.000 0.692 493 V HN 0.742 nan 8.190 nan 0.000 0.468 494 E N 1.009 121.252 120.200 0.072 0.000 2.160 494 E HA -0.196 4.165 4.350 0.018 0.000 0.195 494 E C 2.365 179.046 176.600 0.134 0.000 0.991 494 E CA 1.708 58.182 56.400 0.123 0.000 0.810 494 E CB -0.387 29.374 29.700 0.102 0.000 0.742 494 E HN 0.829 nan 8.360 nan 0.000 0.466 495 S N -0.544 115.208 115.700 0.087 0.000 2.387 495 S HA -0.058 4.423 4.470 0.018 0.000 0.226 495 S C 2.145 176.819 174.600 0.124 0.000 1.026 495 S CA 1.074 59.346 58.200 0.120 0.000 0.972 495 S CB -0.196 63.035 63.200 0.052 0.000 0.814 495 S HN 0.071 nan 8.310 nan 0.000 0.477 496 S N 1.543 117.272 115.700 0.049 0.000 2.383 496 S HA 0.125 4.606 4.470 0.018 0.000 0.227 496 S C 1.808 176.428 174.600 0.033 0.000 1.026 496 S CA 1.057 59.267 58.200 0.016 0.000 0.981 496 S CB -0.429 62.750 63.200 -0.035 0.000 0.818 496 S HN 0.466 nan 8.310 nan 0.000 0.472 497 I N 0.647 121.249 120.570 0.053 0.000 2.179 497 I HA -0.218 3.963 4.170 0.018 0.000 0.242 497 I C 2.233 178.366 176.117 0.027 0.000 1.088 497 I CA 1.250 62.579 61.300 0.049 0.000 1.357 497 I CB -0.985 37.105 38.000 0.150 0.000 1.051 497 I HN 0.604 nan 8.210 nan 0.000 0.409 498 W N 1.622 122.888 121.300 -0.056 0.000 2.374 498 W HA -0.237 4.435 4.660 0.019 0.000 0.288 498 W C 2.296 178.747 176.519 -0.112 0.000 1.218 498 W CA 0.784 58.086 57.345 -0.072 0.000 1.245 498 W CB -0.063 29.377 29.460 -0.033 0.000 1.126 498 W HN 0.099 nan 8.180 nan 0.000 0.545 499 L N 1.023 122.164 121.223 -0.137 0.000 2.109 499 L HA -0.104 4.246 4.340 0.018 0.000 0.207 499 L C 2.269 179.061 176.870 -0.130 0.000 1.086 499 L CA 1.579 56.294 54.840 -0.209 0.000 0.760 499 L CB -1.191 40.828 42.059 -0.068 0.000 0.910 499 L HN -0.111 nan 8.230 nan 0.000 0.437 500 L N -0.149 121.021 121.223 -0.088 0.000 2.056 500 L HA -0.074 4.277 4.340 0.018 0.000 0.207 500 L C 2.662 179.324 176.870 -0.346 0.000 1.078 500 L CA 1.829 56.557 54.840 -0.187 0.000 0.749 500 L CB -1.239 40.755 42.059 -0.108 0.000 0.901 500 L HN 0.320 nan 8.230 nan 0.000 0.433 501 A N -0.870 121.749 122.820 -0.336 0.000 1.940 501 A HA -0.257 4.074 4.320 0.018 0.000 0.219 501 A C 2.372 179.719 177.584 -0.394 0.000 1.176 501 A CA 1.860 53.688 52.037 -0.349 0.000 0.631 501 A CB -0.427 18.282 19.000 -0.485 0.000 0.814 501 A HN 0.383 nan 8.150 nan 0.000 0.446 502 K N -0.609 119.399 120.400 -0.654 0.000 2.097 502 K HA 0.001 4.332 4.320 0.018 0.000 0.205 502 K C 2.341 178.781 176.600 -0.268 0.000 1.050 502 K CA 0.925 56.798 56.287 -0.690 0.000 0.938 502 K CB -0.301 31.549 32.500 -1.083 0.000 0.718 502 K HN 0.443 nan 8.250 nan 0.000 0.442 503 A N 0.756 123.435 122.820 -0.235 0.000 1.908 503 A HA -0.194 4.137 4.320 0.018 0.000 0.218 503 A C 1.830 179.282 177.584 -0.219 0.000 1.181 503 A CA 1.424 53.331 52.037 -0.217 0.000 0.627 503 A CB -0.765 17.992 19.000 -0.405 0.000 0.818 503 A HN 0.272 nan 8.150 nan 0.000 0.445 504 Y N -0.379 119.880 120.300 -0.069 0.000 2.293 504 Y HA -0.113 4.448 4.550 0.019 0.000 0.291 504 Y C 2.560 178.484 175.900 0.041 0.000 1.137 504 Y CA 0.988 59.096 58.100 0.014 0.000 1.202 504 Y CB -0.732 37.748 38.460 0.033 0.000 0.990 504 Y HN 0.099 nan 8.280 nan 0.000 0.537 505 V N -1.198 118.814 119.914 0.163 0.000 2.307 505 V HA -0.240 3.891 4.120 0.018 0.000 0.245 505 V C 2.203 178.367 176.094 0.117 0.000 1.045 505 V CA 1.632 64.041 62.300 0.181 0.000 1.024 505 V CB -0.816 31.173 31.823 0.277 0.000 0.651 505 V HN 0.213 nan 8.190 nan 0.000 0.449 506 V N -0.614 119.373 119.914 0.123 0.000 2.427 506 V HA -0.177 3.954 4.120 0.018 0.000 0.248 506 V C 2.414 178.508 176.094 -0.001 0.000 1.051 506 V CA 1.454 63.801 62.300 0.078 0.000 1.048 506 V CB -0.196 31.694 31.823 0.110 0.000 0.666 506 V HN 0.386 nan 8.190 nan 0.000 0.456 507 V N 0.706 120.617 119.914 -0.005 0.000 2.287 507 V HA -0.337 3.794 4.120 0.018 0.000 0.248 507 V C 2.157 178.247 176.094 -0.007 0.000 1.053 507 V CA 2.613 64.908 62.300 -0.008 0.000 1.027 507 V CB -0.896 30.936 31.823 0.014 0.000 0.646 507 V HN 0.655 nan 8.190 nan 0.000 0.447 508 N N -0.325 118.365 118.700 -0.015 0.000 2.084 508 N HA -0.237 4.513 4.740 0.018 0.000 0.190 508 N C 1.669 176.968 175.510 -0.351 0.000 1.030 508 N CA 1.635 54.617 53.050 -0.113 0.000 0.849 508 N CB -0.169 38.197 38.487 -0.201 0.000 1.012 508 N HN 0.560 nan 8.380 nan 0.000 0.423 509 D N 0.111 120.254 120.400 -0.429 0.000 2.117 509 D HA -0.044 4.607 4.640 0.018 0.000 0.197 509 D C 1.827 178.143 176.300 0.026 0.000 0.987 509 D CA 0.938 54.804 54.000 -0.225 0.000 0.829 509 D CB 0.121 40.916 40.800 -0.009 0.000 0.961 509 D HN 0.000 nan 8.370 nan 0.000 0.460 510 S N -0.963 114.745 115.700 0.013 0.000 2.370 510 S HA -0.201 4.280 4.470 0.018 0.000 0.226 510 S C 2.129 176.787 174.600 0.097 0.000 1.033 510 S CA 0.936 59.198 58.200 0.103 0.000 1.011 510 S CB -0.490 62.779 63.200 0.115 0.000 0.852 510 S HN 0.529 nan 8.310 nan 0.000 0.457 511 C N 0.228 119.484 119.300 -0.074 0.000 2.500 511 C HA 0.019 4.490 4.460 0.018 0.000 0.279 511 C C 2.277 176.847 174.990 -0.700 0.000 1.288 511 C CA 0.338 59.080 59.018 -0.460 0.000 1.710 511 C CB -1.357 25.936 27.740 -0.744 0.000 2.052 511 C HN 0.683 nan 8.230 nan 0.000 0.488 512 Y N 0.576 120.599 120.300 -0.461 0.000 2.114 512 Y HA -0.260 4.301 4.550 0.018 0.000 0.282 512 Y C 2.722 178.609 175.900 -0.022 0.000 1.165 512 Y CA 2.499 60.538 58.100 -0.101 0.000 1.148 512 Y CB -0.888 37.752 38.460 0.300 0.000 0.972 512 Y HN 0.559 nan 8.280 nan 0.000 0.504 513 H N -0.523 118.607 119.070 0.100 0.000 2.352 513 H HA -0.211 4.355 4.556 0.018 0.000 0.299 513 H C 2.086 177.375 175.328 -0.066 0.000 1.097 513 H CA 1.987 58.068 56.048 0.056 0.000 1.311 513 H CB -0.003 29.792 29.762 0.055 0.000 1.377 513 H HN 0.418 nan 8.280 nan 0.000 0.504 514 Q N 0.292 119.892 119.800 -0.334 0.000 2.046 514 Q HA -0.058 4.293 4.340 0.018 0.000 0.200 514 Q C 2.383 178.183 176.000 -0.333 0.000 0.975 514 Q CA 1.154 56.678 55.803 -0.465 0.000 0.836 514 Q CB -0.127 28.064 28.738 -0.911 0.000 0.896 514 Q HN 0.373 nan 8.270 nan 0.000 0.428 515 L N -0.798 120.200 121.223 -0.375 0.000 2.209 515 L HA 0.034 4.385 4.340 0.018 0.000 0.207 515 L C 1.915 178.771 176.870 -0.023 0.000 1.094 515 L CA 0.835 55.579 54.840 -0.160 0.000 0.790 515 L CB -0.441 41.512 42.059 -0.178 0.000 0.932 515 L HN 0.172 nan 8.230 nan 0.000 0.447 516 V N -2.212 117.578 119.914 -0.207 0.000 2.735 516 V HA 0.039 4.170 4.120 0.018 0.000 0.234 516 V C 2.321 178.334 176.094 -0.135 0.000 1.121 516 V CA 0.858 63.023 62.300 -0.224 0.000 1.160 516 V CB 0.139 31.561 31.823 -0.669 0.000 0.908 516 V HN 0.192 nan 8.190 nan 0.000 0.495 517 S N -0.847 114.770 115.700 -0.138 0.000 2.382 517 S HA -0.195 4.286 4.470 0.018 0.000 0.228 517 S C 1.749 176.354 174.600 0.009 0.000 1.027 517 S CA 1.915 60.126 58.200 0.018 0.000 0.991 517 S CB -0.311 62.968 63.200 0.132 0.000 0.823 517 S HN 0.703 nan 8.310 nan 0.000 0.469 518 H N -1.080 117.850 119.070 -0.234 0.000 2.300 518 H HA -0.002 4.565 4.556 0.018 0.000 0.322 518 H C 2.155 177.531 175.328 0.081 0.000 1.088 518 H CA 0.600 56.584 56.048 -0.108 0.000 1.532 518 H CB -0.514 29.065 29.762 -0.305 0.000 1.488 518 H HN 0.491 nan 8.280 nan 0.000 0.607 519 W N 1.614 122.726 121.300 -0.313 0.000 2.329 519 W HA -0.248 4.423 4.660 0.018 0.000 0.324 519 W C 2.178 178.603 176.519 -0.156 0.000 1.222 519 W CA 1.389 58.539 57.345 -0.325 0.000 1.270 519 W CB -0.666 28.628 29.460 -0.278 0.000 1.167 519 W HN 0.340 nan 8.180 nan 0.000 0.467 520 L N 1.979 123.013 121.223 -0.315 0.000 1.970 520 L HA -0.225 4.126 4.340 0.018 0.000 0.212 520 L C 2.003 178.670 176.870 -0.337 0.000 1.071 520 L CA 2.645 57.231 54.840 -0.422 0.000 0.751 520 L CB -1.473 40.507 42.059 -0.132 0.000 0.889 520 L HN 0.041 nan 8.230 nan 0.000 0.432 521 N N -2.179 116.453 118.700 -0.114 0.000 2.494 521 N HA -0.093 4.658 4.740 0.018 0.000 0.182 521 N C 0.988 176.532 175.510 0.056 0.000 1.076 521 N CA 1.001 54.079 53.050 0.047 0.000 0.908 521 N CB 0.159 38.755 38.487 0.182 0.000 0.967 521 N HN 0.651 nan 8.380 nan 0.000 0.449 522 T N -2.746 111.785 114.554 -0.039 0.000 3.478 522 T HA 0.063 4.424 4.350 0.018 0.000 0.223 522 T C 1.530 176.122 174.700 -0.181 0.000 0.958 522 T CA -0.148 61.931 62.100 -0.036 0.000 1.324 522 T CB -0.372 68.530 68.868 0.056 0.000 1.262 522 T HN 0.018 nan 8.240 nan 0.000 0.379 523 H N 1.888 120.744 119.070 -0.358 0.000 2.255 523 H HA -0.117 4.449 4.556 0.018 0.000 0.290 523 H C 2.663 177.628 175.328 -0.605 0.000 1.087 523 H CA 2.140 57.899 56.048 -0.482 0.000 1.213 523 H CB -0.555 28.854 29.762 -0.588 0.000 1.349 523 H HN 0.572 nan 8.280 nan 0.000 0.487 524 A N 0.482 122.803 122.820 -0.832 0.000 1.897 524 A HA -0.050 4.281 4.320 0.018 0.000 0.215 524 A C 2.792 180.123 177.584 -0.422 0.000 1.181 524 A CA 1.302 52.877 52.037 -0.771 0.000 0.620 524 A CB -0.739 17.580 19.000 -1.136 0.000 0.821 524 A HN 0.223 nan 8.150 nan 0.000 0.443 525 V N -0.448 119.260 119.914 -0.344 0.000 2.548 525 V HA -0.152 3.979 4.120 0.018 0.000 0.249 525 V C 2.507 178.772 176.094 0.286 0.000 1.055 525 V CA 1.680 63.937 62.300 -0.072 0.000 1.065 525 V CB -0.026 31.679 31.823 -0.196 0.000 0.681 525 V HN 0.357 nan 8.190 nan 0.000 0.462 526 V N -0.269 119.744 119.914 0.166 0.000 2.453 526 V HA -0.234 3.897 4.120 0.018 0.000 0.247 526 V C 2.357 178.572 176.094 0.202 0.000 1.048 526 V CA 2.083 64.546 62.300 0.271 0.000 1.049 526 V CB -0.412 31.471 31.823 0.101 0.000 0.672 526 V HN 0.681 nan 8.190 nan 0.000 0.457 527 E N 0.477 120.692 120.200 0.025 0.000 2.086 527 E HA -0.255 4.106 4.350 0.018 0.000 0.200 527 E C -0.408 176.175 176.600 -0.027 0.000 1.012 527 E CA 2.173 58.558 56.400 -0.025 0.000 0.812 527 E CB -0.792 28.886 29.700 -0.037 0.000 0.743 527 E HN 0.483 nan 8.360 nan 0.000 0.453 528 P HA -0.118 nan 4.420 nan 0.000 0.220 528 P C 0.563 177.809 177.300 -0.090 0.000 1.148 528 P CA 1.092 64.146 63.100 -0.077 0.000 0.803 528 P CB -0.109 31.375 31.700 -0.361 0.000 0.782 529 F N -0.966 118.986 119.950 0.004 0.000 2.234 529 F HA -0.072 4.465 4.527 0.018 0.000 0.299 529 F C 2.217 177.898 175.800 -0.199 0.000 1.087 529 F CA 1.042 59.058 58.000 0.026 0.000 1.340 529 F CB -0.944 38.155 39.000 0.166 0.000 1.031 529 F HN -0.162 nan 8.300 nan 0.000 0.500 530 I N -0.398 119.998 120.570 -0.289 0.000 2.252 530 I HA -0.263 3.918 4.170 0.018 0.000 0.245 530 I C 2.167 178.148 176.117 -0.226 0.000 1.102 530 I CA 1.264 62.194 61.300 -0.616 0.000 1.385 530 I CB -0.435 37.256 38.000 -0.514 0.000 1.064 530 I HN 0.076 nan 8.210 nan 0.000 0.414 531 I N 0.889 121.385 120.570 -0.123 0.000 2.202 531 I HA -0.232 3.948 4.170 0.018 0.000 0.242 531 I C 2.860 178.910 176.117 -0.112 0.000 1.091 531 I CA 1.298 62.514 61.300 -0.139 0.000 1.368 531 I CB -0.528 37.255 38.000 -0.361 0.000 1.058 531 I HN 0.138 nan 8.210 nan 0.000 0.410 532 A N 0.574 123.416 122.820 0.038 0.000 1.883 532 A HA -0.233 4.098 4.320 0.018 0.000 0.217 532 A C 2.398 180.080 177.584 0.163 0.000 1.186 532 A CA 2.646 54.785 52.037 0.171 0.000 0.624 532 A CB -1.252 17.827 19.000 0.131 0.000 0.822 532 A HN 0.407 nan 8.150 nan 0.000 0.444 533 T N 0.493 115.136 114.554 0.149 0.000 2.635 533 T HA -0.185 4.176 4.350 0.018 0.000 0.267 533 T C 1.759 176.558 174.700 0.165 0.000 1.040 533 T CA 2.011 64.236 62.100 0.208 0.000 1.156 533 T CB -0.551 68.509 68.868 0.320 0.000 0.863 533 T HN 0.676 nan 8.240 nan 0.000 0.430 534 N N 0.287 118.970 118.700 -0.028 0.000 2.244 534 N HA 0.026 4.777 4.740 0.018 0.000 0.183 534 N C 2.010 177.394 175.510 -0.210 0.000 1.016 534 N CA 0.645 53.576 53.050 -0.199 0.000 0.866 534 N CB -0.065 37.834 38.487 -0.980 0.000 0.980 534 N HN 0.304 nan 8.380 nan 0.000 0.430 535 R N -0.742 119.644 120.500 -0.191 0.000 2.148 535 R HA 0.042 4.393 4.340 0.018 0.000 0.223 535 R C 0.878 176.947 176.300 -0.384 0.000 1.088 535 R CA 0.932 56.882 56.100 -0.250 0.000 0.985 535 R CB 0.044 30.184 30.300 -0.266 0.000 0.880 535 R HN 0.438 nan 8.270 nan 0.000 0.451 536 H N -1.872 117.220 119.070 0.037 0.000 3.457 536 H HA 0.204 4.771 4.556 0.018 0.000 0.255 536 H C -0.508 174.841 175.328 0.035 0.000 1.082 536 H CA -0.089 55.988 56.048 0.047 0.000 1.189 536 H CB 0.949 30.746 29.762 0.059 0.000 1.511 536 H HN -0.076 nan 8.280 nan 0.000 0.527 537 L N 1.557 122.863 121.223 0.137 0.000 2.305 537 L HA 0.254 4.605 4.340 0.018 0.000 0.284 537 L C 0.629 177.511 176.870 0.021 0.000 1.013 537 L CA -0.340 54.547 54.840 0.079 0.000 0.819 537 L CB 1.720 43.855 42.059 0.128 0.000 1.227 537 L HN -0.061 nan 8.230 nan 0.000 0.417 538 S N 1.560 117.238 115.700 -0.036 0.000 2.568 538 S HA 0.133 4.614 4.470 0.018 0.000 0.282 538 S C 1.661 175.987 174.600 -0.457 0.000 1.338 538 S CA -0.229 57.845 58.200 -0.210 0.000 1.045 538 S CB 0.771 63.859 63.200 -0.186 0.000 0.873 538 S HN 0.494 nan 8.310 nan 0.000 0.516 539 V N 4.004 123.484 119.914 -0.723 0.000 2.546 539 V HA -0.096 4.035 4.120 0.018 0.000 0.254 539 V C 1.915 177.792 176.094 -0.362 0.000 1.076 539 V CA 1.880 63.617 62.300 -0.938 0.000 1.087 539 V CB -1.135 30.430 31.823 -0.430 0.000 0.674 539 V HN 0.666 nan 8.190 nan 0.000 0.470 540 V N -0.309 119.443 119.914 -0.270 0.000 3.129 540 V HA 0.032 4.163 4.120 0.018 0.000 0.259 540 V C 1.416 177.475 176.094 -0.058 0.000 1.116 540 V CA 0.852 63.061 62.300 -0.153 0.000 1.127 540 V CB -0.942 30.727 31.823 -0.256 0.000 0.742 540 V HN 0.757 nan 8.190 nan 0.000 0.474 541 H N 1.412 120.430 119.070 -0.087 0.000 2.928 541 H HA 0.071 4.638 4.556 0.018 0.000 0.338 541 H C -1.210 174.111 175.328 -0.011 0.000 1.047 541 H CA -1.116 54.914 56.048 -0.030 0.000 1.435 541 H CB 1.360 31.151 29.762 0.048 0.000 1.428 541 H HN 0.028 nan 8.280 nan 0.000 0.590 542 P HA -0.234 nan 4.420 nan 0.000 0.216 542 P C 1.247 178.731 177.300 0.308 0.000 1.150 542 P CA 1.182 64.169 63.100 -0.189 0.000 0.843 542 P CB 0.276 31.362 31.700 -1.023 0.000 0.787 543 I N -2.072 118.825 120.570 0.546 0.000 2.439 543 I HA -0.181 4.000 4.170 0.018 0.000 0.251 543 I C 2.494 178.749 176.117 0.231 0.000 1.139 543 I CA 0.840 62.361 61.300 0.369 0.000 1.438 543 I CB -1.699 36.494 38.000 0.323 0.000 1.085 543 I HN -0.075 nan 8.210 nan 0.000 0.427 544 Y N 2.577 122.970 120.300 0.156 0.000 2.114 544 Y HA -0.290 4.271 4.550 0.018 0.000 0.282 544 Y C 2.564 178.517 175.900 0.089 0.000 1.165 544 Y CA 2.033 60.199 58.100 0.109 0.000 1.148 544 Y CB -0.120 38.394 38.460 0.090 0.000 0.972 544 Y HN 0.069 nan 8.280 nan 0.000 0.504 545 K N -0.474 120.122 120.400 0.326 0.000 2.148 545 K HA -0.163 4.168 4.320 0.018 0.000 0.204 545 K C 1.942 178.501 176.600 -0.069 0.000 1.050 545 K CA 1.335 57.762 56.287 0.233 0.000 0.942 545 K CB -0.407 32.377 32.500 0.473 0.000 0.724 545 K HN 0.312 nan 8.250 nan 0.000 0.446 546 L N 0.855 121.987 121.223 -0.151 0.000 2.046 546 L HA -0.151 4.200 4.340 0.018 0.000 0.208 546 L C 1.795 178.522 176.870 -0.238 0.000 1.077 546 L CA 1.600 56.184 54.840 -0.427 0.000 0.747 546 L CB -0.186 41.501 42.059 -0.619 0.000 0.896 546 L HN 0.042 nan 8.230 nan 0.000 0.432 547 L N -1.226 119.865 121.223 -0.220 0.000 2.249 547 L HA -0.069 4.282 4.340 0.018 0.000 0.207 547 L C 2.487 178.966 176.870 -0.653 0.000 1.090 547 L CA 1.379 56.016 54.840 -0.338 0.000 0.802 547 L CB -1.271 40.623 42.059 -0.275 0.000 0.947 547 L HN 0.453 nan 8.230 nan 0.000 0.453 548 H N 0.923 119.616 119.070 -0.628 0.000 2.321 548 H HA -0.151 4.416 4.556 0.019 0.000 0.295 548 H C -0.671 174.401 175.328 -0.427 0.000 1.102 548 H CA 2.234 57.948 56.048 -0.557 0.000 1.266 548 H CB -0.472 29.052 29.762 -0.396 0.000 1.363 548 H HN 0.203 nan 8.280 nan 0.000 0.492 549 P HA -0.112 nan 4.420 nan 0.000 0.222 549 P C 0.856 177.779 177.300 -0.628 0.000 1.147 549 P CA 1.266 64.009 63.100 -0.595 0.000 0.790 549 P CB -0.263 31.035 31.700 -0.670 0.000 0.780 550 H N -2.483 116.381 119.070 -0.343 0.000 2.556 550 H HA 0.050 4.617 4.556 0.018 0.000 0.268 550 H C 0.579 175.852 175.328 -0.092 0.000 0.996 550 H CA 0.745 56.651 56.048 -0.237 0.000 1.157 550 H CB -0.139 29.490 29.762 -0.222 0.000 1.355 550 H HN 0.252 nan 8.280 nan 0.000 0.597 551 Y N 0.204 120.433 120.300 -0.119 0.000 2.467 551 Y HA 0.167 4.728 4.550 0.018 0.000 0.250 551 Y C 1.329 177.150 175.900 -0.131 0.000 1.155 551 Y CA -0.863 57.183 58.100 -0.091 0.000 1.249 551 Y CB 0.039 38.464 38.460 -0.059 0.000 1.146 551 Y HN -0.055 nan 8.280 nan 0.000 0.524 552 R N 1.977 122.410 120.500 -0.112 0.000 2.473 552 R HA -0.055 4.296 4.340 0.018 0.000 0.315 552 R C -0.113 176.045 176.300 -0.237 0.000 0.972 552 R CA 0.906 56.827 56.100 -0.299 0.000 1.047 552 R CB -0.243 29.715 30.300 -0.570 0.000 0.932 552 R HN 0.272 nan 8.270 nan 0.000 0.411 553 D N 1.630 121.981 120.400 -0.081 0.000 2.911 553 D HA -0.152 4.499 4.640 0.018 0.000 0.199 553 D C 0.515 176.858 176.300 0.072 0.000 1.041 553 D CA 1.966 56.001 54.000 0.059 0.000 1.013 553 D CB -0.790 39.991 40.800 -0.033 0.000 1.093 553 D HN 0.731 nan 8.370 nan 0.000 0.431 554 T N -0.684 113.893 114.554 0.039 0.000 2.777 554 T HA -0.061 4.300 4.350 0.018 0.000 0.266 554 T C 2.099 176.833 174.700 0.056 0.000 1.040 554 T CA 1.425 63.531 62.100 0.009 0.000 1.141 554 T CB -0.132 68.719 68.868 -0.029 0.000 0.868 554 T HN 0.313 nan 8.240 nan 0.000 0.444 555 M N 1.106 120.745 119.600 0.064 0.000 2.229 555 M HA -0.070 4.421 4.480 0.018 0.000 0.264 555 M C 2.331 178.669 176.300 0.063 0.000 1.063 555 M CA 1.105 56.434 55.300 0.049 0.000 1.114 555 M CB -0.536 32.077 32.600 0.020 0.000 1.387 555 M HN 0.343 nan 8.290 nan 0.000 0.420 556 N N 0.819 119.575 118.700 0.092 0.000 2.039 556 N HA -0.195 4.556 4.740 0.018 0.000 0.193 556 N C 1.696 177.288 175.510 0.136 0.000 1.044 556 N CA 1.226 54.343 53.050 0.113 0.000 0.847 556 N CB 0.040 38.624 38.487 0.162 0.000 1.030 556 N HN 0.149 nan 8.380 nan 0.000 0.422 557 I N 1.759 122.425 120.570 0.160 0.000 2.394 557 I HA -0.155 4.026 4.170 0.018 0.000 0.251 557 I C 1.385 177.644 176.117 0.236 0.000 1.136 557 I CA 1.294 62.714 61.300 0.199 0.000 1.425 557 I CB -0.456 37.684 38.000 0.234 0.000 1.079 557 I HN 0.172 nan 8.210 nan 0.000 0.425 558 N N 0.963 119.816 118.700 0.256 0.000 2.188 558 N HA -0.074 4.677 4.740 0.018 0.000 0.184 558 N C 1.914 177.559 175.510 0.225 0.000 1.018 558 N CA 1.409 54.654 53.050 0.325 0.000 0.858 558 N CB -0.935 37.718 38.487 0.277 0.000 0.989 558 N HN 0.527 nan 8.380 nan 0.000 0.426 559 G N 0.671 109.549 108.800 0.129 0.000 2.403 559 G HA2 -0.152 3.819 3.960 0.018 0.000 0.216 559 G HA3 -0.152 3.819 3.960 0.018 0.000 0.216 559 G C 1.550 176.488 174.900 0.063 0.000 1.154 559 G CA 0.364 45.507 45.100 0.071 0.000 0.784 559 G HN 0.277 nan 8.290 nan 0.000 0.538 560 L N 1.244 122.515 121.223 0.080 0.000 2.093 560 L HA 0.214 4.565 4.340 0.018 0.000 0.208 560 L C 3.001 179.887 176.870 0.027 0.000 1.085 560 L CA 2.054 56.929 54.840 0.059 0.000 0.755 560 L CB -0.530 41.580 42.059 0.085 0.000 0.904 560 L HN 0.200 nan 8.230 nan 0.000 0.435 561 A N -0.096 122.747 122.820 0.039 0.000 1.908 561 A HA -0.233 4.098 4.320 0.018 0.000 0.218 561 A C 2.403 179.908 177.584 -0.132 0.000 1.181 561 A CA 1.894 53.880 52.037 -0.084 0.000 0.627 561 A CB -0.607 18.310 19.000 -0.139 0.000 0.818 561 A HN 0.527 nan 8.150 nan 0.000 0.445 562 R N -1.290 119.195 120.500 -0.026 0.000 2.096 562 R HA -0.113 4.238 4.340 0.018 0.000 0.235 562 R C 2.081 178.360 176.300 -0.035 0.000 1.127 562 R CA 1.469 57.560 56.100 -0.015 0.000 0.968 562 R CB -0.520 29.803 30.300 0.038 0.000 0.861 562 R HN 0.527 nan 8.270 nan 0.000 0.440 563 L N -0.381 120.828 121.223 -0.024 0.000 2.131 563 L HA 0.023 4.374 4.340 0.018 0.000 0.206 563 L C 1.504 178.351 176.870 -0.038 0.000 1.087 563 L CA 1.802 56.627 54.840 -0.025 0.000 0.767 563 L CB 0.255 42.307 42.059 -0.011 0.000 0.917 563 L HN -0.094 nan 8.230 nan 0.000 0.441 564 S N -2.065 113.607 115.700 -0.048 0.000 2.628 564 S HA 0.255 4.736 4.470 0.018 0.000 0.246 564 S C 1.196 175.755 174.600 -0.069 0.000 1.062 564 S CA -0.257 57.915 58.200 -0.046 0.000 1.028 564 S CB 0.487 63.670 63.200 -0.028 0.000 0.985 564 S HN 0.138 nan 8.310 nan 0.000 0.551 565 L N 0.160 121.314 121.223 -0.116 0.000 2.433 565 L HA 0.431 4.782 4.340 0.018 0.000 0.200 565 L C 1.479 178.215 176.870 -0.223 0.000 1.059 565 L CA 1.084 55.829 54.840 -0.157 0.000 0.835 565 L CB -0.396 41.543 42.059 -0.201 0.000 1.076 565 L HN 0.170 nan 8.230 nan 0.000 0.481 566 V N 0.794 120.530 119.914 -0.297 0.000 3.380 566 V HA 0.182 4.312 4.120 0.018 0.000 0.307 566 V C 0.377 176.327 176.094 -0.240 0.000 1.434 566 V CA -0.249 61.822 62.300 -0.381 0.000 1.075 566 V CB -0.159 31.213 31.823 -0.751 0.000 0.954 566 V HN 0.503 nan 8.190 nan 0.000 0.444 567 N N -0.073 118.532 118.700 -0.159 0.000 2.379 567 N HA 0.018 4.769 4.740 0.018 0.000 0.260 567 N C 1.004 176.465 175.510 -0.082 0.000 1.254 567 N CA 0.446 53.436 53.050 -0.100 0.000 0.958 567 N CB 0.833 39.280 38.487 -0.065 0.000 1.208 567 N HN 0.182 nan 8.380 nan 0.000 0.532 568 D N -0.329 120.041 120.400 -0.050 0.000 2.133 568 D HA -0.136 4.515 4.640 0.018 0.000 0.192 568 D C 1.426 177.720 176.300 -0.009 0.000 1.001 568 D CA 2.039 56.022 54.000 -0.028 0.000 0.844 568 D CB -0.560 40.258 40.800 0.031 0.000 0.944 568 D HN 0.746 nan 8.370 nan 0.000 0.447 569 G N -1.162 107.648 108.800 0.016 0.000 3.337 569 G HA2 0.403 4.374 3.960 0.018 0.000 0.246 569 G HA3 0.403 4.374 3.960 0.018 0.000 0.246 569 G C 0.655 175.552 174.900 -0.005 0.000 1.131 569 G CA 0.038 45.150 45.100 0.020 0.000 0.773 569 G HN 0.469 nan 8.290 nan 0.000 0.544 570 G N -0.299 108.483 108.800 -0.030 0.000 2.553 570 G HA2 0.296 4.267 3.960 0.018 0.000 0.278 570 G HA3 0.296 4.267 3.960 0.018 0.000 0.278 570 G C 1.216 176.098 174.900 -0.031 0.000 1.349 570 G CA 0.131 45.210 45.100 -0.036 0.000 1.037 570 G HN -0.003 nan 8.290 nan 0.000 0.508 571 V N 0.289 120.185 119.914 -0.030 0.000 2.287 571 V HA -0.163 3.968 4.120 0.018 0.000 0.248 571 V C 2.797 178.910 176.094 0.032 0.000 1.053 571 V CA 1.257 63.551 62.300 -0.009 0.000 1.027 571 V CB -0.523 31.297 31.823 -0.004 0.000 0.646 571 V HN 0.503 nan 8.190 nan 0.000 0.447 572 I N -0.081 120.495 120.570 0.009 0.000 2.252 572 I HA -0.165 4.016 4.170 0.018 0.000 0.245 572 I C 2.507 178.677 176.117 0.088 0.000 1.102 572 I CA 1.412 62.753 61.300 0.069 0.000 1.385 572 I CB -1.308 36.596 38.000 -0.160 0.000 1.064 572 I HN 0.467 nan 8.210 nan 0.000 0.414 573 E N 0.419 120.615 120.200 -0.008 0.000 2.110 573 E HA -0.221 4.140 4.350 0.018 0.000 0.193 573 E C 2.021 178.619 176.600 -0.003 0.000 0.988 573 E CA 0.927 57.315 56.400 -0.020 0.000 0.804 573 E CB -0.077 29.581 29.700 -0.070 0.000 0.745 573 E HN 0.610 nan 8.360 nan 0.000 0.458 574 Q N -0.562 119.237 119.800 -0.002 0.000 2.389 574 Q HA 0.005 4.356 4.340 0.018 0.000 0.204 574 Q C 1.383 177.354 176.000 -0.049 0.000 0.944 574 Q CA 0.896 56.690 55.803 -0.015 0.000 0.908 574 Q CB 0.566 29.301 28.738 -0.004 0.000 1.002 574 Q HN 0.134 nan 8.270 nan 0.000 0.493 575 T N -0.593 113.938 114.554 -0.039 0.000 3.018 575 T HA 0.169 4.530 4.350 0.018 0.000 0.246 575 T C -0.015 174.474 174.700 -0.352 0.000 1.026 575 T CA 0.216 62.185 62.100 -0.218 0.000 1.081 575 T CB 0.278 68.996 68.868 -0.251 0.000 0.970 575 T HN -0.034 nan 8.240 nan 0.000 0.475 576 F N 0.248 120.133 119.950 -0.109 0.000 2.541 576 F HA 0.469 5.006 4.527 0.017 0.000 0.331 576 F C 0.991 176.740 175.800 -0.085 0.000 1.057 576 F CA -1.194 56.728 58.000 -0.130 0.000 0.975 576 F CB 1.057 39.941 39.000 -0.193 0.000 1.246 576 F HN -0.205 nan 8.300 nan 0.000 0.484 577 L N 1.190 122.478 121.223 0.109 0.000 2.042 577 L HA -0.176 4.175 4.340 0.018 0.000 0.210 577 L C 1.599 178.643 176.870 0.290 0.000 1.076 577 L CA 1.957 56.877 54.840 0.133 0.000 0.749 577 L CB -0.497 41.636 42.059 0.123 0.000 0.893 577 L HN 0.605 nan 8.230 nan 0.000 0.432 578 W N 0.299 121.662 121.300 0.106 0.000 2.699 578 W HA 0.331 5.002 4.660 0.019 0.000 0.249 578 W C 1.788 178.345 176.519 0.062 0.000 1.280 578 W CA 0.752 58.151 57.345 0.090 0.000 1.345 578 W CB -1.656 27.827 29.460 0.038 0.000 1.128 578 W HN 0.423 nan 8.180 nan 0.000 0.642 579 G N 1.689 110.615 108.800 0.210 0.000 2.561 579 G HA2 -0.427 3.544 3.960 0.018 0.000 0.289 579 G HA3 -0.427 3.544 3.960 0.018 0.000 0.289 579 G C 1.210 176.065 174.900 -0.075 0.000 1.169 579 G CA 1.201 46.331 45.100 0.050 0.000 0.980 579 G HN 0.366 nan 8.290 nan 0.000 0.550 580 R N 0.083 120.413 120.500 -0.284 0.000 2.316 580 R HA 0.201 4.552 4.340 0.018 0.000 0.202 580 R C 1.781 177.780 176.300 -0.503 0.000 1.029 580 R CA 1.964 57.804 56.100 -0.433 0.000 1.018 580 R CB -0.216 29.749 30.300 -0.558 0.000 0.888 580 R HN 0.582 nan 8.270 nan 0.000 0.471 581 Y N 0.619 120.883 120.300 -0.061 0.000 2.457 581 Y HA 0.329 4.890 4.550 0.019 0.000 0.263 581 Y C 2.008 177.797 175.900 -0.185 0.000 1.164 581 Y CA -0.338 57.641 58.100 -0.201 0.000 1.274 581 Y CB 0.496 38.748 38.460 -0.348 0.000 1.097 581 Y HN 0.027 nan 8.280 nan 0.000 0.523 582 S N 0.083 115.827 115.700 0.075 0.000 2.359 582 S HA -0.193 4.288 4.470 0.018 0.000 0.223 582 S C 2.145 176.810 174.600 0.107 0.000 1.039 582 S CA 2.004 60.333 58.200 0.215 0.000 1.042 582 S CB -0.653 62.590 63.200 0.072 0.000 0.915 582 S HN 0.295 nan 8.310 nan 0.000 0.439 583 V N 2.740 122.600 119.914 -0.090 0.000 2.379 583 V HA -0.149 3.982 4.120 0.018 0.000 0.245 583 V C 2.569 178.510 176.094 -0.256 0.000 1.044 583 V CA 1.813 64.009 62.300 -0.173 0.000 1.036 583 V CB -0.975 30.673 31.823 -0.291 0.000 0.664 583 V HN 0.689 nan 8.190 nan 0.000 0.453 584 E N 0.480 120.463 120.200 -0.362 0.000 2.153 584 E HA -0.249 4.112 4.350 0.018 0.000 0.194 584 E C 2.113 178.580 176.600 -0.221 0.000 0.988 584 E CA 1.602 57.670 56.400 -0.553 0.000 0.811 584 E CB -0.384 28.792 29.700 -0.873 0.000 0.746 584 E HN 0.543 nan 8.360 nan 0.000 0.466 585 M N 1.623 121.087 119.600 -0.227 0.000 2.229 585 M HA -0.104 4.387 4.480 0.018 0.000 0.264 585 M C 2.539 178.844 176.300 0.008 0.000 1.063 585 M CA 1.773 56.917 55.300 -0.260 0.000 1.114 585 M CB -0.110 32.033 32.600 -0.760 0.000 1.387 585 M HN 0.261 nan 8.290 nan 0.000 0.420 586 S N 0.305 116.100 115.700 0.158 0.000 2.428 586 S HA 0.038 4.519 4.470 0.018 0.000 0.230 586 S C 2.011 176.842 174.600 0.385 0.000 1.014 586 S CA 0.706 59.088 58.200 0.304 0.000 0.957 586 S CB -0.414 63.001 63.200 0.359 0.000 0.784 586 S HN 0.417 nan 8.310 nan 0.000 0.499 587 A N 1.661 124.679 122.820 0.329 0.000 1.930 587 A HA 0.114 4.445 4.320 0.018 0.000 0.217 587 A C 2.339 180.211 177.584 0.480 0.000 1.175 587 A CA 1.434 53.752 52.037 0.467 0.000 0.627 587 A CB -1.046 18.100 19.000 0.243 0.000 0.815 587 A HN 0.442 nan 8.150 nan 0.000 0.443 588 V N -0.278 119.874 119.914 0.397 0.000 2.332 588 V HA -0.237 3.894 4.120 0.018 0.000 0.248 588 V C 2.520 178.795 176.094 0.302 0.000 1.055 588 V CA 2.062 64.564 62.300 0.337 0.000 1.038 588 V CB -0.771 31.228 31.823 0.292 0.000 0.651 588 V HN 0.379 nan 8.190 nan 0.000 0.450 589 V N -1.155 118.941 119.914 0.303 0.000 2.548 589 V HA -0.241 3.890 4.120 0.018 0.000 0.249 589 V C 2.200 178.497 176.094 0.340 0.000 1.055 589 V CA 1.891 64.375 62.300 0.306 0.000 1.065 589 V CB -0.845 31.159 31.823 0.303 0.000 0.681 589 V HN 0.642 nan 8.190 nan 0.000 0.462 590 Y N 1.536 121.983 120.300 0.245 0.000 2.298 590 Y HA -0.267 4.294 4.550 0.019 0.000 0.287 590 Y C 2.370 178.451 175.900 0.302 0.000 1.164 590 Y CA 1.584 59.829 58.100 0.241 0.000 1.229 590 Y CB -0.300 38.255 38.460 0.159 0.000 0.977 590 Y HN 0.205 nan 8.280 nan 0.000 0.538 591 K N -0.338 120.211 120.400 0.249 0.000 2.173 591 K HA -0.210 4.121 4.320 0.018 0.000 0.207 591 K C 0.974 177.641 176.600 0.111 0.000 1.046 591 K CA 1.684 58.064 56.287 0.155 0.000 0.929 591 K CB -0.152 32.458 32.500 0.183 0.000 0.720 591 K HN 0.397 nan 8.250 nan 0.000 0.453 592 D N -1.162 119.320 120.400 0.137 0.000 2.349 592 D HA -0.033 4.618 4.640 0.018 0.000 0.214 592 D C -0.144 176.190 176.300 0.057 0.000 1.063 592 D CA -0.045 54.015 54.000 0.100 0.000 0.847 592 D CB -0.081 40.791 40.800 0.120 0.000 0.933 592 D HN 0.182 nan 8.370 nan 0.000 0.513 593 W N 2.592 123.808 121.300 -0.140 0.000 2.308 593 W HA 0.213 4.884 4.660 0.019 0.000 0.324 593 W C -0.237 176.053 176.519 -0.383 0.000 1.387 593 W CA -0.367 56.859 57.345 -0.198 0.000 1.250 593 W CB 0.582 29.946 29.460 -0.161 0.000 1.257 593 W HN -0.280 nan 8.180 nan 0.000 0.554 594 V N 9.030 128.242 119.914 -1.170 0.000 2.531 594 V HA 0.295 4.426 4.120 0.018 0.000 0.301 594 V C 0.400 175.294 176.094 -2.000 0.000 1.034 594 V CA -0.864 60.263 62.300 -1.954 0.000 0.865 594 V CB 1.108 31.748 31.823 -1.972 0.000 0.995 594 V HN 0.721 nan 8.190 nan 0.000 0.424 595 F N 4.772 123.332 119.950 -2.316 0.000 2.063 595 F HA -0.172 4.366 4.527 0.018 0.000 0.298 595 F C 2.338 177.748 175.800 -0.650 0.000 1.109 595 F CA 3.186 60.418 58.000 -1.280 0.000 1.212 595 F CB -0.365 38.309 39.000 -0.543 0.000 0.973 595 F HN 0.759 nan 8.300 nan 0.000 0.480 596 T N -3.039 111.123 114.554 -0.654 0.000 3.035 596 T HA -0.098 4.263 4.350 0.018 0.000 0.268 596 T C 1.377 175.779 174.700 -0.497 0.000 1.109 596 T CA 1.140 62.952 62.100 -0.481 0.000 1.119 596 T CB -0.508 68.234 68.868 -0.210 0.000 0.900 596 T HN 0.181 nan 8.240 nan 0.000 0.503 597 D N 1.209 121.250 120.400 -0.599 0.000 2.363 597 D HA 0.013 4.664 4.640 0.018 0.000 0.220 597 D C 2.084 178.143 176.300 -0.401 0.000 0.994 597 D CA 0.363 54.081 54.000 -0.470 0.000 0.890 597 D CB -0.050 40.469 40.800 -0.469 0.000 0.906 597 D HN 0.412 nan 8.370 nan 0.000 0.530 598 Q N 0.215 119.753 119.800 -0.437 0.000 2.389 598 Q HA 0.138 4.489 4.340 0.018 0.000 0.204 598 Q C 0.705 176.547 176.000 -0.263 0.000 0.944 598 Q CA 0.081 55.752 55.803 -0.220 0.000 0.908 598 Q CB -0.088 28.590 28.738 -0.100 0.000 1.002 598 Q HN 0.142 nan 8.270 nan 0.000 0.493 599 A N 1.651 124.184 122.820 -0.480 0.000 2.548 599 A HA 0.012 4.343 4.320 0.018 0.000 0.247 599 A C 1.281 178.192 177.584 -1.121 0.000 1.067 599 A CA -0.128 51.381 52.037 -0.880 0.000 0.757 599 A CB 0.054 18.646 19.000 -0.680 0.000 0.996 599 A HN 0.299 nan 8.150 nan 0.000 0.504 600 L N 4.499 124.658 121.223 -1.774 0.000 2.013 600 L HA -0.101 4.250 4.340 0.018 0.000 0.212 600 L C -0.743 175.592 176.870 -0.893 0.000 1.073 600 L CA 2.771 56.856 54.840 -1.259 0.000 0.753 600 L CB -1.112 40.045 42.059 -1.503 0.000 0.890 600 L HN 0.545 nan 8.230 nan 0.000 0.432 601 P HA -0.121 nan 4.420 nan 0.000 0.217 601 P C 1.525 178.589 177.300 -0.393 0.000 1.150 601 P CA 1.909 64.673 63.100 -0.560 0.000 0.832 601 P CB -0.199 31.219 31.700 -0.469 0.000 0.787 602 A N -0.070 122.492 122.820 -0.430 0.000 1.902 602 A HA -0.249 4.082 4.320 0.018 0.000 0.217 602 A C 2.200 179.633 177.584 -0.253 0.000 1.181 602 A CA 2.215 54.071 52.037 -0.303 0.000 0.623 602 A CB -1.660 17.147 19.000 -0.321 0.000 0.818 602 A HN 0.172 nan 8.150 nan 0.000 0.443 603 D N -0.633 119.598 120.400 -0.281 0.000 2.104 603 D HA -0.158 4.493 4.640 0.018 0.000 0.194 603 D C 1.707 177.947 176.300 -0.100 0.000 0.994 603 D CA 1.194 55.093 54.000 -0.167 0.000 0.830 603 D CB -0.165 40.559 40.800 -0.126 0.000 0.959 603 D HN 0.166 nan 8.370 nan 0.000 0.452 604 L N 0.473 121.616 121.223 -0.134 0.000 2.042 604 L HA -0.089 4.262 4.340 0.018 0.000 0.210 604 L C 2.392 179.238 176.870 -0.040 0.000 1.076 604 L CA 1.318 56.115 54.840 -0.072 0.000 0.749 604 L CB -0.846 41.124 42.059 -0.149 0.000 0.893 604 L HN 0.291 nan 8.230 nan 0.000 0.432 605 I N -0.946 119.574 120.570 -0.083 0.000 2.202 605 I HA -0.306 3.875 4.170 0.018 0.000 0.242 605 I C 2.529 178.620 176.117 -0.044 0.000 1.091 605 I CA 1.135 62.400 61.300 -0.059 0.000 1.368 605 I CB -0.399 37.552 38.000 -0.082 0.000 1.058 605 I HN 0.247 nan 8.210 nan 0.000 0.410 606 K N 1.418 121.779 120.400 -0.066 0.000 2.103 606 K HA -0.173 4.158 4.320 0.018 0.000 0.207 606 K C 1.918 178.507 176.600 -0.019 0.000 1.048 606 K CA 1.551 57.804 56.287 -0.056 0.000 0.930 606 K CB 0.018 32.464 32.500 -0.089 0.000 0.716 606 K HN 0.240 nan 8.250 nan 0.000 0.444 607 R N -1.044 119.459 120.500 0.006 0.000 2.334 607 R HA 0.090 4.441 4.340 0.018 0.000 0.220 607 R C 0.873 177.213 176.300 0.067 0.000 0.917 607 R CA 0.513 56.638 56.100 0.043 0.000 1.073 607 R CB 0.493 30.837 30.300 0.073 0.000 1.056 607 R HN 0.451 nan 8.270 nan 0.000 0.506 608 G N 0.751 109.579 108.800 0.047 0.000 2.153 608 G HA2 -0.265 3.706 3.960 0.018 0.000 0.252 608 G HA3 -0.265 3.706 3.960 0.018 0.000 0.252 608 G C 0.782 175.750 174.900 0.114 0.000 0.994 608 G CA 0.309 45.444 45.100 0.059 0.000 0.698 608 G HN 0.149 nan 8.290 nan 0.000 0.521 609 M N -0.307 119.372 119.600 0.133 0.000 2.502 609 M HA 0.533 5.024 4.480 0.018 0.000 0.243 609 M C 1.115 177.493 176.300 0.129 0.000 1.130 609 M CA 0.935 56.350 55.300 0.192 0.000 1.055 609 M CB -0.329 32.427 32.600 0.259 0.000 1.457 609 M HN 0.970 nan 8.290 nan 0.000 0.488 610 A N 1.177 124.036 122.820 0.064 0.000 2.594 610 A HA 0.853 5.184 4.320 0.018 0.000 0.291 610 A C -0.751 176.840 177.584 0.011 0.000 1.105 610 A CA -0.833 51.219 52.037 0.026 0.000 0.694 610 A CB 1.869 20.855 19.000 -0.023 0.000 1.291 610 A HN 0.316 nan 8.150 nan 0.000 0.410 611 I N -2.036 118.537 120.570 0.005 0.000 2.892 611 I HA 0.622 4.803 4.170 0.018 0.000 0.306 611 I C -0.333 175.778 176.117 -0.011 0.000 1.078 611 I CA -0.805 60.493 61.300 -0.003 0.000 1.032 611 I CB 1.886 39.889 38.000 0.005 0.000 1.229 611 I HN 0.542 nan 8.210 nan 0.000 0.435 612 E N 2.776 122.967 120.200 -0.015 0.000 2.384 612 E HA 0.120 4.480 4.350 0.018 0.000 0.266 612 E C -1.133 175.462 176.600 -0.008 0.000 1.012 612 E CA 0.605 56.996 56.400 -0.015 0.000 0.901 612 E CB 0.767 30.457 29.700 -0.016 0.000 0.967 612 E HN 0.531 nan 8.360 nan 0.000 0.435 613 D N 3.776 124.172 120.400 -0.007 0.000 2.369 613 D HA 0.075 4.726 4.640 0.018 0.000 0.212 613 D C -2.173 174.124 176.300 -0.006 0.000 1.326 613 D CA -1.244 52.754 54.000 -0.004 0.000 0.933 613 D CB 1.399 42.198 40.800 -0.001 0.000 1.516 613 D HN 0.075 nan 8.370 nan 0.000 0.557 614 P HA -0.100 nan 4.420 nan 0.000 0.223 614 P C 1.075 178.365 177.300 -0.016 0.000 1.151 614 P CA 0.659 63.752 63.100 -0.011 0.000 0.787 614 P CB 0.253 31.947 31.700 -0.011 0.000 0.788 615 S N -1.993 113.698 115.700 -0.014 0.000 2.527 615 S HA 0.012 4.492 4.470 0.018 0.000 0.222 615 S C 1.030 175.616 174.600 -0.023 0.000 0.985 615 S CA -0.226 57.963 58.200 -0.018 0.000 0.921 615 S CB -1.257 61.935 63.200 -0.014 0.000 0.772 615 S HN 0.059 nan 8.310 nan 0.000 0.529 616 C N 3.218 122.507 119.300 -0.019 0.000 2.466 616 C HA 0.435 4.906 4.460 0.018 0.000 0.379 616 C C -0.540 174.423 174.990 -0.046 0.000 1.251 616 C CA -1.211 57.795 59.018 -0.019 0.000 2.263 616 C CB 0.871 28.612 27.740 0.002 0.000 2.511 616 C HN 0.316 nan 8.230 nan 0.000 0.573 617 P HA -0.176 nan 4.420 nan 0.000 0.219 617 P C 0.291 177.378 177.300 -0.355 0.000 1.158 617 P CA 1.832 64.792 63.100 -0.234 0.000 0.895 617 P CB -0.015 31.523 31.700 -0.271 0.000 0.792 618 H N -3.323 115.739 119.070 -0.013 0.000 2.469 618 H HA 0.478 5.045 4.556 0.018 0.000 0.286 618 H C 1.307 176.628 175.328 -0.011 0.000 1.106 618 H CA 0.374 56.419 56.048 -0.004 0.000 1.055 618 H CB -0.228 29.536 29.762 0.003 0.000 1.618 618 H HN 0.126 nan 8.280 nan 0.000 0.559 619 G N 1.055 109.882 108.800 0.045 0.000 2.184 619 G HA2 -0.294 3.677 3.960 0.018 0.000 0.264 619 G HA3 -0.294 3.677 3.960 0.018 0.000 0.264 619 G C 0.343 175.251 174.900 0.014 0.000 0.975 619 G CA 0.614 45.727 45.100 0.022 0.000 0.642 619 G HN 0.565 nan 8.290 nan 0.000 0.536 620 I N -3.234 117.350 120.570 0.023 0.000 2.934 620 I HA 0.871 5.052 4.170 0.018 0.000 0.306 620 I C -0.395 175.727 176.117 0.010 0.000 1.110 620 I CA -1.752 59.547 61.300 -0.001 0.000 1.019 620 I CB 2.110 40.089 38.000 -0.036 0.000 1.227 620 I HN 0.060 nan 8.210 nan 0.000 0.434 621 R N 4.510 125.013 120.500 0.004 0.000 2.514 621 R HA 0.646 4.997 4.340 0.018 0.000 0.301 621 R C -1.670 174.640 176.300 0.017 0.000 0.962 621 R CA -0.732 55.375 56.100 0.013 0.000 0.882 621 R CB 1.672 31.980 30.300 0.012 0.000 1.143 621 R HN 0.796 nan 8.270 nan 0.000 0.452 622 L N 4.859 126.096 121.223 0.025 0.000 2.260 622 L HA 0.302 4.652 4.340 0.018 0.000 0.289 622 L C -0.187 176.720 176.870 0.061 0.000 1.057 622 L CA -0.854 54.011 54.840 0.041 0.000 0.811 622 L CB 1.673 43.752 42.059 0.034 0.000 1.184 622 L HN 0.399 nan 8.230 nan 0.000 0.429 623 V N 6.232 126.200 119.914 0.090 0.000 2.521 623 V HA 0.134 4.265 4.120 0.018 0.000 0.286 623 V C 0.570 176.731 176.094 0.112 0.000 1.034 623 V CA -0.118 62.258 62.300 0.128 0.000 1.045 623 V CB 0.445 32.378 31.823 0.184 0.000 0.974 623 V HN 0.630 nan 8.190 nan 0.000 0.480 624 I N 3.600 124.204 120.570 0.056 0.000 7.815 624 I HA -0.214 3.967 4.170 0.018 0.000 0.126 624 I C 1.155 177.289 176.117 0.027 0.000 1.845 624 I CA 0.279 61.558 61.300 -0.035 0.000 2.040 624 I CB -0.655 37.208 38.000 -0.228 0.000 3.716 624 I HN 0.705 nan 8.210 nan 0.000 0.170 625 E N 3.183 123.391 120.200 0.013 0.000 2.046 625 E HA -0.164 4.197 4.350 0.018 0.000 0.190 625 E C 0.970 177.588 176.600 0.031 0.000 0.982 625 E CA 1.055 57.469 56.400 0.024 0.000 0.800 625 E CB 0.200 29.907 29.700 0.013 0.000 0.756 625 E HN 0.608 nan 8.360 nan 0.000 0.449 626 D N 0.048 120.456 120.400 0.013 0.000 2.619 626 D HA -0.063 4.588 4.640 0.018 0.000 0.224 626 D C -1.530 174.795 176.300 0.042 0.000 1.133 626 D CA -0.043 53.967 54.000 0.015 0.000 1.017 626 D CB -0.338 40.458 40.800 -0.007 0.000 1.077 626 D HN 0.067 nan 8.370 nan 0.000 0.503 627 Y N 3.034 123.276 120.300 -0.098 0.000 2.712 627 Y HA 0.385 4.945 4.550 0.018 0.000 0.328 627 Y C -2.134 173.691 175.900 -0.125 0.000 0.995 627 Y CA -3.067 54.964 58.100 -0.115 0.000 1.283 627 Y CB 1.453 39.852 38.460 -0.102 0.000 1.092 627 Y HN 0.091 nan 8.280 nan 0.000 0.519 628 P HA -0.215 nan 4.420 nan 0.000 0.215 628 P C 1.424 178.578 177.300 -0.245 0.000 1.153 628 P CA 1.560 64.538 63.100 -0.203 0.000 0.853 628 P CB -0.051 31.359 31.700 -0.483 0.000 0.788 629 Y N 0.200 120.293 120.300 -0.344 0.000 2.165 629 Y HA -0.216 4.345 4.550 0.018 0.000 0.286 629 Y C 2.129 177.926 175.900 -0.171 0.000 1.155 629 Y CA 2.082 60.120 58.100 -0.103 0.000 1.164 629 Y CB -1.200 37.275 38.460 0.025 0.000 0.978 629 Y HN -0.116 nan 8.280 nan 0.000 0.513 630 T N -0.517 113.606 114.554 -0.719 0.000 2.851 630 T HA -0.078 4.283 4.350 0.018 0.000 0.262 630 T C 1.994 176.409 174.700 -0.474 0.000 1.043 630 T CA 1.431 63.030 62.100 -0.835 0.000 1.140 630 T CB -0.447 67.671 68.868 -1.250 0.000 0.872 630 T HN 0.198 nan 8.240 nan 0.000 0.446 631 V N 1.862 121.600 119.914 -0.294 0.000 2.379 631 V HA -0.107 4.024 4.120 0.018 0.000 0.245 631 V C 2.215 178.235 176.094 -0.122 0.000 1.044 631 V CA 1.587 63.791 62.300 -0.159 0.000 1.036 631 V CB -0.502 31.286 31.823 -0.059 0.000 0.664 631 V HN 0.380 nan 8.190 nan 0.000 0.453 632 D N 1.015 121.373 120.400 -0.069 0.000 2.097 632 D HA -0.076 4.575 4.640 0.018 0.000 0.197 632 D C 2.254 178.544 176.300 -0.017 0.000 0.984 632 D CA 1.587 55.594 54.000 0.011 0.000 0.826 632 D CB -0.750 40.140 40.800 0.151 0.000 0.973 632 D HN 0.423 nan 8.370 nan 0.000 0.460 633 G N 0.720 109.461 108.800 -0.099 0.000 2.442 633 G HA2 -0.219 3.751 3.960 0.018 0.000 0.219 633 G HA3 -0.219 3.751 3.960 0.018 0.000 0.219 633 G C 1.500 176.366 174.900 -0.058 0.000 1.141 633 G CA 0.287 45.392 45.100 0.008 0.000 0.763 633 G HN 0.154 nan 8.290 nan 0.000 0.554 634 L N 0.830 121.893 121.223 -0.267 0.000 2.131 634 L HA -0.010 4.341 4.340 0.018 0.000 0.210 634 L C 2.720 179.364 176.870 -0.376 0.000 1.092 634 L CA 1.314 55.914 54.840 -0.399 0.000 0.759 634 L CB -0.584 41.106 42.059 -0.615 0.000 0.903 634 L HN 0.221 nan 8.230 nan 0.000 0.435 635 E N -0.652 119.424 120.200 -0.206 0.000 2.072 635 E HA -0.171 4.190 4.350 0.018 0.000 0.191 635 E C 2.378 179.033 176.600 0.091 0.000 0.985 635 E CA 1.223 57.633 56.400 0.017 0.000 0.801 635 E CB -0.211 29.527 29.700 0.062 0.000 0.750 635 E HN 0.464 nan 8.360 nan 0.000 0.452 636 I N 0.655 121.303 120.570 0.131 0.000 2.353 636 I HA -0.180 4.001 4.170 0.018 0.000 0.248 636 I C 2.442 178.732 176.117 0.288 0.000 1.119 636 I CA 0.678 62.112 61.300 0.222 0.000 1.417 636 I CB -0.203 37.967 38.000 0.282 0.000 1.078 636 I HN 0.234 nan 8.210 nan 0.000 0.421 637 W N 2.234 123.576 121.300 0.070 0.000 2.355 637 W HA -0.251 4.419 4.660 0.018 0.000 0.309 637 W C 1.753 178.262 176.519 -0.016 0.000 1.206 637 W CA 1.893 59.182 57.345 -0.094 0.000 1.284 637 W CB -0.352 28.793 29.460 -0.526 0.000 1.145 637 W HN 0.148 nan 8.180 nan 0.000 0.502 638 D N 0.478 120.841 120.400 -0.062 0.000 2.117 638 D HA -0.111 4.540 4.640 0.018 0.000 0.197 638 D C 2.493 178.787 176.300 -0.011 0.000 0.987 638 D CA 2.259 56.230 54.000 -0.048 0.000 0.829 638 D CB -0.566 40.350 40.800 0.193 0.000 0.961 638 D HN 0.133 nan 8.370 nan 0.000 0.460 639 A N 0.226 123.104 122.820 0.097 0.000 1.902 639 A HA -0.152 4.179 4.320 0.018 0.000 0.217 639 A C 2.282 180.053 177.584 0.313 0.000 1.181 639 A CA 0.990 53.161 52.037 0.223 0.000 0.623 639 A CB -0.747 18.393 19.000 0.232 0.000 0.818 639 A HN 0.221 nan 8.150 nan 0.000 0.443 640 I N -0.678 120.025 120.570 0.222 0.000 2.127 640 I HA -0.286 3.895 4.170 0.018 0.000 0.241 640 I C 2.555 178.578 176.117 -0.157 0.000 1.075 640 I CA 1.990 63.334 61.300 0.075 0.000 1.334 640 I CB -0.227 37.794 38.000 0.035 0.000 1.040 640 I HN 0.298 nan 8.210 nan 0.000 0.405 641 K N 0.818 120.983 120.400 -0.392 0.000 2.032 641 K HA -0.176 4.155 4.320 0.018 0.000 0.209 641 K C 1.984 178.498 176.600 -0.144 0.000 1.048 641 K CA 2.199 58.242 56.287 -0.406 0.000 0.927 641 K CB -0.490 31.657 32.500 -0.588 0.000 0.712 641 K HN 0.229 nan 8.250 nan 0.000 0.441 642 T N 0.390 114.908 114.554 -0.061 0.000 2.708 642 T HA -0.186 4.175 4.350 0.018 0.000 0.266 642 T C 1.304 176.084 174.700 0.135 0.000 1.037 642 T CA 1.369 63.488 62.100 0.031 0.000 1.146 642 T CB -0.585 68.322 68.868 0.064 0.000 0.865 642 T HN 0.529 nan 8.240 nan 0.000 0.435 643 W N 1.877 123.133 121.300 -0.073 0.000 2.317 643 W HA -0.246 4.425 4.660 0.018 0.000 0.318 643 W C 1.826 178.320 176.519 -0.042 0.000 1.227 643 W CA 0.940 58.199 57.345 -0.144 0.000 1.269 643 W CB -0.625 28.416 29.460 -0.698 0.000 1.155 643 W HN 0.047 nan 8.180 nan 0.000 0.484 644 V N 0.739 120.417 119.914 -0.394 0.000 2.343 644 V HA -0.346 3.785 4.120 0.018 0.000 0.247 644 V C 2.326 178.367 176.094 -0.089 0.000 1.051 644 V CA 2.546 64.587 62.300 -0.432 0.000 1.036 644 V CB -1.462 30.178 31.823 -0.305 0.000 0.654 644 V HN 0.350 nan 8.190 nan 0.000 0.451 645 H N 0.373 119.400 119.070 -0.072 0.000 2.319 645 H HA -0.173 4.393 4.556 0.018 0.000 0.299 645 H C 2.350 177.732 175.328 0.091 0.000 1.092 645 H CA 2.225 58.288 56.048 0.024 0.000 1.302 645 H CB 0.104 29.806 29.762 -0.101 0.000 1.373 645 H HN 0.517 nan 8.280 nan 0.000 0.497 646 E N -0.747 119.590 120.200 0.228 0.000 2.077 646 E HA -0.236 4.125 4.350 0.018 0.000 0.193 646 E C 1.869 178.563 176.600 0.157 0.000 0.989 646 E CA 1.178 57.703 56.400 0.208 0.000 0.800 646 E CB -0.256 29.589 29.700 0.241 0.000 0.746 646 E HN 0.554 nan 8.360 nan 0.000 0.452 647 Y N 1.445 121.702 120.300 -0.072 0.000 2.089 647 Y HA -0.271 4.290 4.550 0.019 0.000 0.282 647 Y C 2.345 178.313 175.900 0.113 0.000 1.139 647 Y CA 1.353 59.401 58.100 -0.086 0.000 1.123 647 Y CB -0.393 37.748 38.460 -0.531 0.000 0.980 647 Y HN -0.206 nan 8.280 nan 0.000 0.493 648 V N -0.181 119.905 119.914 0.286 0.000 2.278 648 V HA -0.355 3.776 4.120 0.018 0.000 0.251 648 V C 2.057 178.254 176.094 0.172 0.000 1.062 648 V CA 2.240 64.713 62.300 0.287 0.000 1.038 648 V CB -0.866 31.070 31.823 0.189 0.000 0.646 648 V HN 0.371 nan 8.190 nan 0.000 0.447 649 F N -1.336 118.568 119.950 -0.077 0.000 2.661 649 F HA 0.049 4.587 4.527 0.018 0.000 0.298 649 F C 1.837 177.555 175.800 -0.136 0.000 1.137 649 F CA 0.317 58.257 58.000 -0.101 0.000 1.454 649 F CB -0.404 38.491 39.000 -0.175 0.000 1.103 649 F HN 0.088 nan 8.300 nan 0.000 0.577 650 L N -1.445 119.711 121.223 -0.113 0.000 2.131 650 L HA -0.202 4.149 4.340 0.018 0.000 0.210 650 L C 1.599 178.088 176.870 -0.635 0.000 1.092 650 L CA 1.916 56.490 54.840 -0.443 0.000 0.759 650 L CB -0.985 40.602 42.059 -0.786 0.000 0.903 650 L HN 0.155 nan 8.230 nan 0.000 0.435 651 Y N -3.699 116.453 120.300 -0.248 0.000 2.558 651 Y HA 0.142 4.703 4.550 0.018 0.000 0.273 651 Y C 0.182 175.802 175.900 -0.466 0.000 1.100 651 Y CA -0.564 57.293 58.100 -0.405 0.000 1.276 651 Y CB 0.032 38.149 38.460 -0.572 0.000 1.196 651 Y HN -0.108 nan 8.280 nan 0.000 0.527 652 Y N 1.346 121.588 120.300 -0.097 0.000 2.385 652 Y HA 0.262 4.822 4.550 0.018 0.000 0.341 652 Y C 1.063 176.843 175.900 -0.199 0.000 0.965 652 Y CA -1.109 56.900 58.100 -0.153 0.000 1.180 652 Y CB 0.971 39.299 38.460 -0.220 0.000 1.139 652 Y HN -0.074 nan 8.280 nan 0.000 0.502 653 K N 1.356 121.752 120.400 -0.007 0.000 2.211 653 K HA -0.031 4.300 4.320 0.018 0.000 0.203 653 K C 0.270 176.857 176.600 -0.022 0.000 1.050 653 K CA 1.082 57.355 56.287 -0.024 0.000 0.945 653 K CB 0.119 32.608 32.500 -0.018 0.000 0.732 653 K HN 0.667 nan 8.250 nan 0.000 0.451 654 S N -1.345 114.342 115.700 -0.022 0.000 2.643 654 S HA 0.184 4.665 4.470 0.018 0.000 0.270 654 S C -0.335 174.230 174.600 -0.058 0.000 1.166 654 S CA -0.972 57.210 58.200 -0.031 0.000 0.815 654 S CB 1.181 64.379 63.200 -0.003 0.000 1.139 654 S HN -0.143 nan 8.310 nan 0.000 0.472 655 D N 0.803 121.167 120.400 -0.059 0.000 2.219 655 D HA -0.035 4.616 4.640 0.018 0.000 0.205 655 D C 0.967 177.236 176.300 -0.052 0.000 0.970 655 D CA 1.114 55.067 54.000 -0.079 0.000 0.851 655 D CB -0.271 40.498 40.800 -0.052 0.000 0.943 655 D HN 0.532 nan 8.370 nan 0.000 0.488 656 D N -0.075 120.315 120.400 -0.018 0.000 2.144 656 D HA -0.093 4.558 4.640 0.018 0.000 0.199 656 D C 1.851 178.164 176.300 0.021 0.000 0.984 656 D CA 0.952 54.953 54.000 0.000 0.000 0.834 656 D CB -0.254 40.551 40.800 0.008 0.000 0.955 656 D HN 0.133 nan 8.370 nan 0.000 0.465 657 T N 0.926 115.509 114.554 0.047 0.000 2.867 657 T HA -0.087 4.274 4.350 0.018 0.000 0.268 657 T C 1.982 176.800 174.700 0.196 0.000 1.057 657 T CA 0.398 62.568 62.100 0.117 0.000 1.136 657 T CB -0.087 68.865 68.868 0.141 0.000 0.874 657 T HN 0.132 nan 8.240 nan 0.000 0.466 658 L N 0.507 121.769 121.223 0.064 0.000 2.131 658 L HA 0.086 4.436 4.340 0.018 0.000 0.206 658 L C 2.530 179.367 176.870 -0.056 0.000 1.087 658 L CA 1.194 55.950 54.840 -0.140 0.000 0.767 658 L CB -0.128 41.633 42.059 -0.497 0.000 0.917 658 L HN 0.025 nan 8.230 nan 0.000 0.441 659 R N -0.299 120.180 120.500 -0.036 0.000 2.189 659 R HA -0.151 4.200 4.340 0.018 0.000 0.223 659 R C 1.817 178.129 176.300 0.021 0.000 1.092 659 R CA 1.337 57.429 56.100 -0.013 0.000 0.989 659 R CB -0.145 30.147 30.300 -0.013 0.000 0.876 659 R HN 0.490 nan 8.270 nan 0.000 0.457 660 E N 0.583 120.810 120.200 0.044 0.000 2.385 660 E HA -0.066 4.295 4.350 0.018 0.000 0.194 660 E C -0.088 176.559 176.600 0.079 0.000 1.013 660 E CA -0.092 56.340 56.400 0.054 0.000 0.866 660 E CB 0.276 30.009 29.700 0.055 0.000 0.832 660 E HN 0.068 nan 8.360 nan 0.000 0.500 661 D N 0.851 121.323 120.400 0.120 0.000 2.342 661 D HA -0.020 4.631 4.640 0.018 0.000 0.260 661 D C -1.640 174.740 176.300 0.133 0.000 1.278 661 D CA -1.950 52.153 54.000 0.172 0.000 0.910 661 D CB 1.283 42.269 40.800 0.309 0.000 1.079 661 D HN 0.013 nan 8.370 nan 0.000 0.496 662 P HA -0.058 nan 4.420 nan 0.000 0.222 662 P C 0.908 178.265 177.300 0.093 0.000 1.153 662 P CA 0.783 63.932 63.100 0.083 0.000 0.798 662 P CB 0.613 32.354 31.700 0.069 0.000 0.796 663 E N -0.127 120.156 120.200 0.137 0.000 2.046 663 E HA -0.074 4.287 4.350 0.018 0.000 0.190 663 E C 2.110 178.756 176.600 0.077 0.000 0.982 663 E CA 0.477 56.955 56.400 0.130 0.000 0.800 663 E CB -0.564 29.234 29.700 0.163 0.000 0.756 663 E HN 0.100 nan 8.360 nan 0.000 0.449 664 L N 1.252 122.527 121.223 0.087 0.000 2.046 664 L HA -0.227 4.124 4.340 0.018 0.000 0.208 664 L C 2.228 179.147 176.870 0.082 0.000 1.077 664 L CA 1.603 56.481 54.840 0.064 0.000 0.747 664 L CB -0.371 41.754 42.059 0.110 0.000 0.896 664 L HN 0.215 nan 8.230 nan 0.000 0.432 665 Q N -0.355 119.484 119.800 0.066 0.000 2.124 665 Q HA -0.124 4.227 4.340 0.018 0.000 0.202 665 Q C 2.211 178.219 176.000 0.013 0.000 0.977 665 Q CA 1.706 57.541 55.803 0.053 0.000 0.850 665 Q CB -0.422 28.337 28.738 0.035 0.000 0.901 665 Q HN 0.598 nan 8.270 nan 0.000 0.429 666 A N 0.226 123.011 122.820 -0.058 0.000 1.897 666 A HA -0.155 4.176 4.320 0.018 0.000 0.215 666 A C 2.498 179.846 177.584 -0.394 0.000 1.181 666 A CA 1.282 53.162 52.037 -0.260 0.000 0.620 666 A CB -1.155 17.658 19.000 -0.311 0.000 0.821 666 A HN 0.502 nan 8.150 nan 0.000 0.443 667 C N -1.233 117.979 119.300 -0.146 0.000 2.393 667 C HA -0.173 4.298 4.460 0.018 0.000 0.276 667 C C 2.476 177.500 174.990 0.057 0.000 1.215 667 C CA 1.413 60.450 59.018 0.031 0.000 1.743 667 C CB -1.382 26.462 27.740 0.174 0.000 2.044 667 C HN 0.743 nan 8.230 nan 0.000 0.464 668 W N 1.108 122.350 121.300 -0.096 0.000 2.388 668 W HA -0.077 4.594 4.660 0.018 0.000 0.294 668 W C 2.576 178.976 176.519 -0.198 0.000 1.212 668 W CA 1.678 58.957 57.345 -0.110 0.000 1.271 668 W CB -0.459 28.966 29.460 -0.057 0.000 1.126 668 W HN 0.453 nan 8.180 nan 0.000 0.535 669 K N 0.857 121.202 120.400 -0.092 0.000 2.057 669 K HA -0.260 4.071 4.320 0.018 0.000 0.207 669 K C 1.992 178.400 176.600 -0.320 0.000 1.049 669 K CA 1.878 58.038 56.287 -0.212 0.000 0.931 669 K CB -0.471 31.951 32.500 -0.130 0.000 0.714 669 K HN 0.087 nan 8.250 nan 0.000 0.440 670 E N 0.512 120.544 120.200 -0.281 0.000 2.152 670 E HA -0.143 4.218 4.350 0.018 0.000 0.192 670 E C 2.062 178.439 176.600 -0.373 0.000 0.983 670 E CA 0.259 56.508 56.400 -0.252 0.000 0.818 670 E CB 0.050 29.707 29.700 -0.072 0.000 0.758 670 E HN 0.278 nan 8.360 nan 0.000 0.467 671 L N 1.000 121.965 121.223 -0.431 0.000 1.989 671 L HA -0.175 4.176 4.340 0.018 0.000 0.211 671 L C 2.290 178.656 176.870 -0.840 0.000 1.071 671 L CA 1.586 56.038 54.840 -0.647 0.000 0.749 671 L CB -0.742 40.816 42.059 -0.835 0.000 0.890 671 L HN 0.128 nan 8.230 nan 0.000 0.431 672 V N 0.061 119.335 119.914 -1.067 0.000 2.358 672 V HA -0.229 3.901 4.120 0.018 0.000 0.246 672 V C 2.337 177.998 176.094 -0.721 0.000 1.047 672 V CA 1.816 63.360 62.300 -1.259 0.000 1.035 672 V CB -0.404 30.566 31.823 -1.423 0.000 0.658 672 V HN 0.470 nan 8.190 nan 0.000 0.452 673 E N -1.022 118.861 120.200 -0.527 0.000 2.400 673 E HA 0.015 4.376 4.350 0.018 0.000 0.195 673 E C 1.645 178.060 176.600 -0.310 0.000 1.012 673 E CA 0.526 56.717 56.400 -0.347 0.000 0.875 673 E CB 0.647 30.189 29.700 -0.263 0.000 0.859 673 E HN 0.485 nan 8.360 nan 0.000 0.498 674 V N -1.100 118.562 119.914 -0.420 0.000 3.278 674 V HA 0.115 4.246 4.120 0.018 0.000 0.215 674 V C 2.082 177.804 176.094 -0.620 0.000 1.287 674 V CA 0.877 62.872 62.300 -0.509 0.000 1.302 674 V CB -0.422 31.003 31.823 -0.665 0.000 1.228 674 V HN 0.273 nan 8.190 nan 0.000 0.523 675 G N -0.394 107.942 108.800 -0.773 0.000 2.422 675 G HA2 -0.195 3.776 3.960 0.018 0.000 0.218 675 G HA3 -0.195 3.776 3.960 0.018 0.000 0.218 675 G C 1.025 175.622 174.900 -0.505 0.000 1.146 675 G CA 0.935 45.664 45.100 -0.619 0.000 0.769 675 G HN 0.573 nan 8.290 nan 0.000 0.547 676 H N 0.008 118.916 119.070 -0.270 0.000 2.505 676 H HA 0.256 4.822 4.556 0.018 0.000 0.260 676 H C 2.060 177.408 175.328 0.034 0.000 1.168 676 H CA 0.145 56.197 56.048 0.005 0.000 0.945 676 H CB 0.446 30.345 29.762 0.228 0.000 1.800 676 H HN 0.299 nan 8.280 nan 0.000 0.586 677 G N 0.187 108.968 108.800 -0.031 0.000 2.498 677 G HA2 -0.202 3.769 3.960 0.018 0.000 0.219 677 G HA3 -0.202 3.769 3.960 0.018 0.000 0.219 677 G C 1.131 176.064 174.900 0.056 0.000 1.119 677 G CA 0.298 45.362 45.100 -0.060 0.000 0.766 677 G HN 0.304 nan 8.290 nan 0.000 0.552 678 D N 0.196 120.699 120.400 0.171 0.000 2.348 678 D HA 0.007 4.658 4.640 0.018 0.000 0.216 678 D C 1.682 178.123 176.300 0.235 0.000 0.970 678 D CA 0.742 54.871 54.000 0.215 0.000 0.889 678 D CB 0.137 41.125 40.800 0.314 0.000 0.912 678 D HN 0.308 nan 8.370 nan 0.000 0.524 679 K N 0.487 121.067 120.400 0.300 0.000 2.514 679 K HA 0.080 4.411 4.320 0.018 0.000 0.207 679 K C 1.552 178.319 176.600 0.278 0.000 1.035 679 K CA -0.147 56.326 56.287 0.310 0.000 1.113 679 K CB 0.608 33.414 32.500 0.511 0.000 0.846 679 K HN 0.059 nan 8.250 nan 0.000 0.491 680 K N -0.450 120.010 120.400 0.101 0.000 2.280 680 K HA -0.108 4.223 4.320 0.018 0.000 0.202 680 K C 0.669 177.245 176.600 -0.039 0.000 1.047 680 K CA 1.567 57.818 56.287 -0.061 0.000 0.942 680 K CB -0.078 32.349 32.500 -0.122 0.000 0.739 680 K HN 0.080 nan 8.250 nan 0.000 0.457 681 N N 0.769 119.466 118.700 -0.005 0.000 2.230 681 N HA 0.025 4.776 4.740 0.018 0.000 0.202 681 N C -0.763 174.705 175.510 -0.072 0.000 1.119 681 N CA -0.294 52.740 53.050 -0.027 0.000 0.851 681 N CB 0.425 38.903 38.487 -0.016 0.000 0.990 681 N HN 0.157 nan 8.380 nan 0.000 0.497 682 E N 1.685 121.791 120.200 -0.157 0.000 2.360 682 E HA 0.017 4.378 4.350 0.018 0.000 0.269 682 E C -1.502 174.802 176.600 -0.493 0.000 1.022 682 E CA -1.349 54.757 56.400 -0.491 0.000 0.887 682 E CB 0.872 29.907 29.700 -1.109 0.000 0.990 682 E HN 0.198 nan 8.360 nan 0.000 0.426 683 P HA -0.058 nan 4.420 nan 0.000 0.241 683 P C 0.880 178.158 177.300 -0.038 0.000 1.191 683 P CA 0.702 63.733 63.100 -0.116 0.000 0.771 683 P CB -0.002 31.687 31.700 -0.017 0.000 0.929 684 W N -2.299 118.997 121.300 -0.008 0.000 3.256 684 W HA 0.184 4.855 4.660 0.018 0.000 0.269 684 W C -0.276 176.258 176.519 0.025 0.000 1.310 684 W CA -1.031 56.288 57.345 -0.043 0.000 1.673 684 W CB -1.345 28.019 29.460 -0.159 0.000 1.115 684 W HN -0.211 nan 8.180 nan 0.000 0.686 685 W N 4.694 126.081 121.300 0.145 0.000 2.264 685 W HA 0.147 4.817 4.660 0.018 0.000 0.331 685 W C -1.591 175.144 176.519 0.360 0.000 1.364 685 W CA -1.461 56.073 57.345 0.315 0.000 1.253 685 W CB -0.093 29.407 29.460 0.066 0.000 1.215 685 W HN -0.356 nan 8.180 nan 0.000 0.561 686 P HA 0.004 nan 4.420 nan 0.000 0.266 686 P C -0.267 177.295 177.300 0.436 0.000 1.195 686 P CA 0.078 63.451 63.100 0.455 0.000 0.768 686 P CB 0.655 32.564 31.700 0.349 0.000 0.838 687 K N 1.729 122.266 120.400 0.230 0.000 2.127 687 K HA 0.425 4.756 4.320 0.018 0.000 0.240 687 K C 0.373 176.967 176.600 -0.010 0.000 1.024 687 K CA -0.644 55.745 56.287 0.171 0.000 0.918 687 K CB 0.489 33.062 32.500 0.122 0.000 1.108 687 K HN 0.384 nan 8.250 nan 0.000 0.485 688 M N 2.691 122.254 119.600 -0.062 0.000 2.999 688 M HA 0.103 4.594 4.480 0.018 0.000 0.206 688 M C -0.217 176.010 176.300 -0.123 0.000 1.111 688 M CA 0.212 55.386 55.300 -0.211 0.000 0.946 688 M CB 0.770 33.178 32.600 -0.320 0.000 1.330 688 M HN 0.393 nan 8.290 nan 0.000 0.533 689 Q N -0.330 119.423 119.800 -0.078 0.000 2.179 689 Q HA 0.296 4.647 4.340 0.018 0.000 0.213 689 Q C -0.189 175.770 176.000 -0.069 0.000 0.833 689 Q CA 0.221 55.992 55.803 -0.055 0.000 0.990 689 Q CB 1.598 30.328 28.738 -0.013 0.000 1.132 689 Q HN 0.338 nan 8.270 nan 0.000 0.493 690 T N -0.724 113.769 114.554 -0.102 0.000 3.097 690 T HA 0.304 4.665 4.350 0.018 0.000 0.332 690 T C 0.593 175.208 174.700 -0.142 0.000 1.269 690 T CA -0.543 61.504 62.100 -0.088 0.000 1.076 690 T CB 1.677 70.530 68.868 -0.025 0.000 1.209 690 T HN -0.026 nan 8.240 nan 0.000 0.474 691 R N 1.033 121.429 120.500 -0.175 0.000 2.096 691 R HA -0.084 4.267 4.340 0.018 0.000 0.235 691 R C 1.721 177.990 176.300 -0.051 0.000 1.127 691 R CA 1.304 57.248 56.100 -0.260 0.000 0.968 691 R CB 0.020 29.987 30.300 -0.555 0.000 0.861 691 R HN 0.524 nan 8.270 nan 0.000 0.440 692 E N 0.748 120.995 120.200 0.080 0.000 2.118 692 E HA -0.194 4.167 4.350 0.018 0.000 0.195 692 E C 1.576 178.213 176.600 0.063 0.000 0.992 692 E CA 1.360 57.841 56.400 0.136 0.000 0.804 692 E CB 0.065 29.848 29.700 0.139 0.000 0.741 692 E HN 0.359 nan 8.360 nan 0.000 0.458 693 E N -0.581 119.620 120.200 0.002 0.000 2.152 693 E HA -0.141 4.220 4.350 0.018 0.000 0.192 693 E C 1.905 178.455 176.600 -0.085 0.000 0.983 693 E CA 0.547 56.935 56.400 -0.021 0.000 0.818 693 E CB -0.047 29.623 29.700 -0.051 0.000 0.758 693 E HN 0.139 nan 8.360 nan 0.000 0.467 694 L N 0.614 121.751 121.223 -0.144 0.000 2.056 694 L HA -0.128 4.222 4.340 0.018 0.000 0.207 694 L C 2.127 178.964 176.870 -0.055 0.000 1.078 694 L CA 1.257 55.995 54.840 -0.169 0.000 0.749 694 L CB -0.237 41.678 42.059 -0.239 0.000 0.901 694 L HN -0.070 nan 8.230 nan 0.000 0.433 695 V N -0.163 119.749 119.914 -0.003 0.000 2.287 695 V HA -0.309 3.822 4.120 0.018 0.000 0.248 695 V C 2.625 178.737 176.094 0.030 0.000 1.053 695 V CA 2.021 64.343 62.300 0.036 0.000 1.027 695 V CB -0.668 31.226 31.823 0.117 0.000 0.646 695 V HN 0.546 nan 8.190 nan 0.000 0.447 696 E N 0.392 120.632 120.200 0.065 0.000 2.051 696 E HA -0.166 4.195 4.350 0.018 0.000 0.192 696 E C 2.155 178.842 176.600 0.145 0.000 0.991 696 E CA 1.546 58.009 56.400 0.105 0.000 0.799 696 E CB -0.470 29.303 29.700 0.123 0.000 0.748 696 E HN 0.516 nan 8.360 nan 0.000 0.449 697 A N -0.081 122.855 122.820 0.194 0.000 1.877 697 A HA -0.213 4.117 4.320 0.018 0.000 0.216 697 A C 2.539 180.330 177.584 0.345 0.000 1.186 697 A CA 1.584 53.876 52.037 0.425 0.000 0.620 697 A CB -1.028 18.116 19.000 0.240 0.000 0.822 697 A HN 0.527 nan 8.150 nan 0.000 0.443 698 C N -1.049 118.341 119.300 0.150 0.000 2.446 698 C HA 0.094 4.565 4.460 0.018 0.000 0.277 698 C C 3.316 178.316 174.990 0.016 0.000 1.275 698 C CA 0.611 59.676 59.018 0.079 0.000 1.727 698 C CB -1.390 26.345 27.740 -0.009 0.000 2.010 698 C HN 0.706 nan 8.230 nan 0.000 0.486 699 A N 0.746 123.545 122.820 -0.035 0.000 1.908 699 A HA -0.166 4.165 4.320 0.018 0.000 0.218 699 A C 1.992 179.615 177.584 0.064 0.000 1.181 699 A CA 1.811 53.759 52.037 -0.148 0.000 0.627 699 A CB -0.624 18.131 19.000 -0.408 0.000 0.818 699 A HN 0.610 nan 8.150 nan 0.000 0.445 700 I N -0.514 120.165 120.570 0.182 0.000 2.179 700 I HA -0.268 3.913 4.170 0.018 0.000 0.242 700 I C 2.319 178.580 176.117 0.239 0.000 1.088 700 I CA 1.374 62.803 61.300 0.215 0.000 1.357 700 I CB -0.374 37.472 38.000 -0.257 0.000 1.051 700 I HN 0.310 nan 8.210 nan 0.000 0.409 701 I N 0.741 121.424 120.570 0.189 0.000 2.127 701 I HA -0.324 3.857 4.170 0.018 0.000 0.241 701 I C 2.463 178.627 176.117 0.080 0.000 1.075 701 I CA 1.804 63.161 61.300 0.096 0.000 1.334 701 I CB -0.336 37.685 38.000 0.036 0.000 1.040 701 I HN 0.127 nan 8.210 nan 0.000 0.405 702 I N -0.285 120.282 120.570 -0.004 0.000 2.226 702 I HA -0.334 3.847 4.170 0.018 0.000 0.245 702 I C 2.480 178.620 176.117 0.038 0.000 1.100 702 I CA 1.484 62.678 61.300 -0.177 0.000 1.374 702 I CB -0.583 37.188 38.000 -0.381 0.000 1.057 702 I HN 0.546 nan 8.210 nan 0.000 0.413 703 W N 2.289 123.608 121.300 0.031 0.000 2.318 703 W HA -0.278 4.394 4.660 0.020 0.000 0.313 703 W C 2.310 178.930 176.519 0.168 0.000 1.221 703 W CA 2.281 59.725 57.345 0.164 0.000 1.266 703 W CB -0.474 29.198 29.460 0.354 0.000 1.150 703 W HN 0.111 nan 8.180 nan 0.000 0.496 704 T N 1.446 116.093 114.554 0.154 0.000 2.684 704 T HA -0.174 4.187 4.350 0.018 0.000 0.267 704 T C 2.041 176.738 174.700 -0.005 0.000 1.036 704 T CA 2.408 64.537 62.100 0.048 0.000 1.148 704 T CB -0.811 68.172 68.868 0.192 0.000 0.863 704 T HN 0.262 nan 8.240 nan 0.000 0.436 705 A N 1.145 123.985 122.820 0.033 0.000 2.014 705 A HA 0.014 4.345 4.320 0.018 0.000 0.218 705 A C 2.406 180.021 177.584 0.051 0.000 1.163 705 A CA 1.819 53.875 52.037 0.032 0.000 0.652 705 A CB -0.413 18.646 19.000 0.099 0.000 0.808 705 A HN 0.591 nan 8.150 nan 0.000 0.449 706 S N -1.292 114.426 115.700 0.030 0.000 2.860 706 S HA 0.470 4.951 4.470 0.018 0.000 0.181 706 S C 2.105 176.706 174.600 0.001 0.000 0.763 706 S CA 0.797 59.043 58.200 0.076 0.000 0.829 706 S CB -0.710 62.563 63.200 0.122 0.000 0.793 706 S HN 0.750 nan 8.310 nan 0.000 0.614 707 A N 1.078 123.790 122.820 -0.181 0.000 1.970 707 A HA 0.284 4.615 4.320 0.018 0.000 0.216 707 A C 2.227 179.538 177.584 -0.455 0.000 1.170 707 A CA 1.213 53.072 52.037 -0.296 0.000 0.645 707 A CB -0.912 17.894 19.000 -0.323 0.000 0.816 707 A HN 0.557 nan 8.150 nan 0.000 0.447 708 L N -0.618 120.121 121.223 -0.807 0.000 2.027 708 L HA -0.177 4.174 4.340 0.018 0.000 0.206 708 L C 2.370 179.196 176.870 -0.072 0.000 1.074 708 L CA 2.637 57.191 54.840 -0.476 0.000 0.745 708 L CB -0.805 40.953 42.059 -0.502 0.000 0.898 708 L HN 0.632 nan 8.230 nan 0.000 0.433 709 H N -0.477 118.536 119.070 -0.094 0.000 2.353 709 H HA -0.144 4.422 4.556 0.017 0.000 0.300 709 H C 1.939 177.335 175.328 0.112 0.000 1.090 709 H CA 1.480 57.550 56.048 0.037 0.000 1.327 709 H CB 0.236 30.008 29.762 0.017 0.000 1.383 709 H HN 0.492 nan 8.280 nan 0.000 0.508 710 A N 1.390 124.307 122.820 0.161 0.000 1.865 710 A HA -0.172 4.158 4.320 0.018 0.000 0.217 710 A C 2.714 180.405 177.584 0.178 0.000 1.191 710 A CA 2.156 54.386 52.037 0.321 0.000 0.623 710 A CB -1.254 17.924 19.000 0.297 0.000 0.826 710 A HN 0.588 nan 8.150 nan 0.000 0.444 711 A N -1.300 121.584 122.820 0.107 0.000 1.972 711 A HA 0.046 4.377 4.320 0.018 0.000 0.219 711 A C 2.105 179.747 177.584 0.096 0.000 1.169 711 A CA 1.840 53.961 52.037 0.139 0.000 0.635 711 A CB -0.558 18.616 19.000 0.291 0.000 0.810 711 A HN 0.476 nan 8.150 nan 0.000 0.446 712 V N -0.335 119.610 119.914 0.052 0.000 3.471 712 V HA -0.022 4.109 4.120 0.018 0.000 0.258 712 V C 1.933 178.057 176.094 0.050 0.000 1.192 712 V CA 1.662 64.038 62.300 0.126 0.000 1.116 712 V CB -0.177 31.731 31.823 0.141 0.000 0.792 712 V HN 0.743 nan 8.190 nan 0.000 0.459 713 N N -0.364 118.192 118.700 -0.240 0.000 2.499 713 N HA 0.065 4.816 4.740 0.018 0.000 0.182 713 N C 1.176 176.397 175.510 -0.483 0.000 1.034 713 N CA 0.762 53.470 53.050 -0.571 0.000 0.882 713 N CB 0.012 37.799 38.487 -1.167 0.000 1.125 713 N HN 0.300 nan 8.380 nan 0.000 0.436 714 F N -0.221 119.681 119.950 -0.081 0.000 2.797 714 F HA 0.395 4.931 4.527 0.016 0.000 0.302 714 F C 1.937 177.797 175.800 0.099 0.000 1.130 714 F CA 0.228 58.203 58.000 -0.043 0.000 1.387 714 F CB 0.237 39.179 39.000 -0.097 0.000 1.107 714 F HN 0.133 nan 8.300 nan 0.000 0.577 715 G N -1.138 107.818 108.800 0.260 0.000 3.088 715 G HA2 0.001 3.972 3.960 0.018 0.000 0.217 715 G HA3 0.001 3.972 3.960 0.018 0.000 0.217 715 G C 1.323 176.397 174.900 0.290 0.000 1.159 715 G CA -0.076 45.306 45.100 0.470 0.000 0.760 715 G HN 0.257 nan 8.290 nan 0.000 0.550 716 Q N -0.567 119.311 119.800 0.130 0.000 2.050 716 Q HA -0.158 4.193 4.340 0.018 0.000 0.202 716 Q C 1.952 177.997 176.000 0.076 0.000 0.980 716 Q CA 1.350 57.193 55.803 0.066 0.000 0.840 716 Q CB -0.190 28.552 28.738 0.006 0.000 0.898 716 Q HN 0.612 nan 8.270 nan 0.000 0.424 717 Y N 1.014 121.305 120.300 -0.016 0.000 2.206 717 Y HA -0.072 4.491 4.550 0.022 0.000 0.292 717 Y C -0.906 174.926 175.900 -0.112 0.000 1.123 717 Y CA 1.002 59.069 58.100 -0.056 0.000 1.142 717 Y CB -0.665 37.769 38.460 -0.044 0.000 1.006 717 Y HN 0.073 nan 8.280 nan 0.000 0.518 718 P HA -0.192 nan 4.420 nan 0.000 0.217 718 P C 0.678 177.705 177.300 -0.454 0.000 1.148 718 P CA 1.928 64.848 63.100 -0.301 0.000 0.828 718 P CB -0.132 31.265 31.700 -0.505 0.000 0.783 719 Y N -1.617 118.555 120.300 -0.213 0.000 2.396 719 Y HA 0.285 4.846 4.550 0.019 0.000 0.292 719 Y C 2.563 178.302 175.900 -0.269 0.000 1.128 719 Y CA 1.312 59.289 58.100 -0.205 0.000 1.194 719 Y CB -0.910 37.488 38.460 -0.104 0.000 1.124 719 Y HN -0.121 nan 8.280 nan 0.000 0.543 720 G N -1.229 107.509 108.800 -0.104 0.000 3.126 720 G HA2 0.122 4.093 3.960 0.018 0.000 0.224 720 G HA3 0.122 4.093 3.960 0.018 0.000 0.224 720 G C 1.673 176.339 174.900 -0.389 0.000 1.142 720 G CA 0.467 45.438 45.100 -0.216 0.000 0.759 720 G HN 0.442 nan 8.290 nan 0.000 0.550 721 G N 0.039 108.442 108.800 -0.661 0.000 2.679 721 G HA2 0.071 4.042 3.960 0.018 0.000 0.212 721 G HA3 0.071 4.042 3.960 0.018 0.000 0.212 721 G C 0.526 175.013 174.900 -0.688 0.000 1.137 721 G CA -0.091 44.348 45.100 -1.101 0.000 0.787 721 G HN 0.372 nan 8.290 nan 0.000 0.534 722 L N 1.505 122.393 121.223 -0.558 0.000 2.262 722 L HA 0.357 4.708 4.340 0.018 0.000 0.288 722 L C 1.170 177.740 176.870 -0.501 0.000 1.035 722 L CA -0.726 53.816 54.840 -0.497 0.000 0.820 722 L CB 1.370 43.075 42.059 -0.590 0.000 1.204 722 L HN 0.015 nan 8.230 nan 0.000 0.424 723 I N 4.290 124.594 120.570 -0.443 0.000 2.700 723 I HA -0.226 3.955 4.170 0.018 0.000 0.261 723 I C 1.626 177.484 176.117 -0.432 0.000 1.219 723 I CA 1.296 62.365 61.300 -0.385 0.000 1.463 723 I CB 0.092 37.911 38.000 -0.300 0.000 1.092 723 I HN 0.608 nan 8.210 nan 0.000 0.452 724 L N 0.113 120.954 121.223 -0.636 0.000 2.156 724 L HA -0.118 4.233 4.340 0.018 0.000 0.208 724 L C 2.199 178.481 176.870 -0.980 0.000 1.095 724 L CA 1.511 55.877 54.840 -0.790 0.000 0.770 724 L CB -1.451 39.835 42.059 -1.287 0.000 0.914 724 L HN 0.436 nan 8.230 nan 0.000 0.439 725 N N -0.174 117.945 118.700 -0.968 0.000 2.336 725 N HA -0.046 4.705 4.740 0.018 0.000 0.177 725 N C 0.351 175.732 175.510 -0.216 0.000 1.018 725 N CA 0.387 53.102 53.050 -0.559 0.000 0.878 725 N CB 0.414 38.629 38.487 -0.453 0.000 0.997 725 N HN 0.156 nan 8.380 nan 0.000 0.433 726 R N 1.660 122.011 120.500 -0.249 0.000 2.564 726 R HA 0.362 4.713 4.340 0.018 0.000 0.282 726 R C -2.577 173.609 176.300 -0.189 0.000 1.573 726 R CA -1.487 54.517 56.100 -0.160 0.000 1.588 726 R CB 1.579 31.797 30.300 -0.136 0.000 1.154 726 R HN 0.291 nan 8.270 nan 0.000 0.606 727 P HA 0.023 nan 4.420 nan 0.000 0.269 727 P C 0.720 177.899 177.300 -0.201 0.000 1.215 727 P CA 0.194 63.166 63.100 -0.213 0.000 0.780 727 P CB 0.932 32.498 31.700 -0.225 0.000 0.898 728 T N -1.252 113.138 114.554 -0.274 0.000 2.990 728 T HA 0.348 4.709 4.350 0.018 0.000 0.250 728 T C 0.572 175.135 174.700 -0.228 0.000 1.041 728 T CA 0.080 61.968 62.100 -0.352 0.000 1.010 728 T CB -0.332 68.043 68.868 -0.821 0.000 1.003 728 T HN 0.405 nan 8.240 nan 0.000 0.499 729 L N -0.663 120.450 121.223 -0.184 0.000 2.540 729 L HA 0.931 5.282 4.340 0.018 0.000 0.256 729 L C -1.051 175.768 176.870 -0.085 0.000 1.001 729 L CA -1.280 53.502 54.840 -0.098 0.000 0.843 729 L CB 1.820 43.819 42.059 -0.100 0.000 1.436 729 L HN 0.080 nan 8.230 nan 0.000 0.410 730 S N -0.100 115.589 115.700 -0.018 0.000 2.526 730 S HA 0.831 5.312 4.470 0.018 0.000 0.293 730 S C -0.192 174.401 174.600 -0.011 0.000 1.092 730 S CA -0.754 57.445 58.200 -0.002 0.000 0.980 730 S CB 1.949 65.238 63.200 0.149 0.000 1.048 730 S HN 0.921 nan 8.310 nan 0.000 0.483 731 R N 0.801 121.279 120.500 -0.038 0.000 2.566 731 R HA 0.449 4.800 4.340 0.018 0.000 0.388 731 R C 0.101 176.333 176.300 -0.112 0.000 0.989 731 R CA -0.602 55.446 56.100 -0.086 0.000 1.164 731 R CB 0.498 30.753 30.300 -0.074 0.000 1.459 731 R HN 0.429 nan 8.270 nan 0.000 0.553 732 R N 0.422 120.891 120.500 -0.052 0.000 2.740 732 R HA 0.401 4.752 4.340 0.018 0.000 0.273 732 R C -1.237 175.120 176.300 0.094 0.000 0.998 732 R CA -0.829 55.251 56.100 -0.034 0.000 0.900 732 R CB 1.564 31.903 30.300 0.065 0.000 1.223 732 R HN -0.157 nan 8.270 nan 0.000 0.466 733 F N 1.064 121.100 119.950 0.143 0.000 2.368 733 F HA 0.352 4.890 4.527 0.019 0.000 0.315 733 F C 1.041 177.019 175.800 0.296 0.000 1.145 733 F CA -0.975 57.123 58.000 0.164 0.000 1.095 733 F CB 0.468 39.507 39.000 0.066 0.000 1.286 733 F HN 0.341 nan 8.300 nan 0.000 0.530 734 M N 4.772 124.713 119.600 0.570 0.000 2.284 734 M HA 0.147 4.638 4.480 0.018 0.000 0.351 734 M C -2.154 174.348 176.300 0.336 0.000 1.443 734 M CA -1.190 54.338 55.300 0.380 0.000 1.031 734 M CB -0.134 32.598 32.600 0.220 0.000 1.893 734 M HN 0.140 nan 8.290 nan 0.000 0.456 735 P HA -0.004 nan 4.420 nan 0.000 0.263 735 P C -1.322 176.199 177.300 0.368 0.000 1.195 735 P CA 0.171 63.462 63.100 0.318 0.000 0.762 735 P CB 0.115 32.000 31.700 0.308 0.000 0.799 736 E N 3.082 123.440 120.200 0.263 0.000 2.212 736 E HA 0.229 4.590 4.350 0.018 0.000 0.270 736 E C 0.269 176.843 176.600 -0.043 0.000 0.956 736 E CA -0.840 55.648 56.400 0.146 0.000 0.825 736 E CB 1.079 30.859 29.700 0.133 0.000 1.167 736 E HN 0.238 nan 8.360 nan 0.000 0.400 737 K N 1.152 121.412 120.400 -0.233 0.000 2.026 737 K HA -0.282 4.049 4.320 0.018 0.000 0.145 737 K C 0.744 177.089 176.600 -0.425 0.000 0.872 737 K CA 2.003 58.092 56.287 -0.330 0.000 0.349 737 K CB -1.416 31.011 32.500 -0.122 0.000 0.715 737 K HN 0.753 nan 8.250 nan 0.000 0.815 738 G N 1.127 109.830 108.800 -0.161 0.000 4.486 738 G HA2 0.348 4.319 3.960 0.018 0.000 0.306 738 G HA3 0.348 4.319 3.960 0.018 0.000 0.306 738 G C -0.415 174.500 174.900 0.025 0.000 1.331 738 G CA -0.098 44.964 45.100 -0.065 0.000 1.113 738 G HN 0.238 nan 8.290 nan 0.000 0.594 739 S N -0.464 115.278 115.700 0.069 0.000 2.614 739 S HA 0.482 4.963 4.470 0.018 0.000 0.265 739 S C 1.768 176.454 174.600 0.143 0.000 1.303 739 S CA 0.169 58.441 58.200 0.119 0.000 1.000 739 S CB 1.137 64.435 63.200 0.163 0.000 0.935 739 S HN 0.531 nan 8.310 nan 0.000 0.551 740 A N 1.530 124.418 122.820 0.113 0.000 2.119 740 A HA 0.007 4.338 4.320 0.018 0.000 0.216 740 A C 1.800 179.450 177.584 0.111 0.000 1.152 740 A CA 0.771 52.869 52.037 0.101 0.000 0.708 740 A CB -0.286 18.758 19.000 0.073 0.000 0.805 740 A HN 0.842 nan 8.150 nan 0.000 0.460 741 E N -1.404 118.877 120.200 0.135 0.000 2.190 741 E HA -0.136 4.225 4.350 0.018 0.000 0.191 741 E C 1.733 178.422 176.600 0.148 0.000 0.978 741 E CA 0.825 57.301 56.400 0.128 0.000 0.839 741 E CB -0.737 29.042 29.700 0.131 0.000 0.787 741 E HN 0.661 nan 8.360 nan 0.000 0.473 742 Y N 2.244 122.590 120.300 0.076 0.000 2.165 742 Y HA -0.217 4.344 4.550 0.019 0.000 0.286 742 Y C 2.394 178.330 175.900 0.060 0.000 1.155 742 Y CA 2.182 60.328 58.100 0.076 0.000 1.164 742 Y CB 0.104 38.611 38.460 0.079 0.000 0.978 742 Y HN 0.005 nan 8.280 nan 0.000 0.513 743 E N 0.369 120.685 120.200 0.193 0.000 2.107 743 E HA -0.196 4.165 4.350 0.018 0.000 0.191 743 E C 2.147 178.764 176.600 0.027 0.000 0.982 743 E CA 1.358 57.821 56.400 0.105 0.000 0.809 743 E CB -0.277 29.493 29.700 0.118 0.000 0.756 743 E HN 0.613 nan 8.360 nan 0.000 0.459 744 E N -0.008 120.213 120.200 0.035 0.000 2.110 744 E HA -0.186 4.175 4.350 0.018 0.000 0.193 744 E C 2.038 178.624 176.600 -0.022 0.000 0.988 744 E CA 0.758 57.167 56.400 0.015 0.000 0.804 744 E CB -0.144 29.577 29.700 0.035 0.000 0.745 744 E HN 0.314 nan 8.360 nan 0.000 0.458 745 L N 0.704 121.891 121.223 -0.059 0.000 2.131 745 L HA -0.168 4.183 4.340 0.018 0.000 0.210 745 L C 2.769 179.551 176.870 -0.146 0.000 1.092 745 L CA 1.214 55.985 54.840 -0.115 0.000 0.759 745 L CB -0.321 41.617 42.059 -0.201 0.000 0.903 745 L HN 0.200 nan 8.230 nan 0.000 0.435 746 R N -0.197 120.209 120.500 -0.158 0.000 2.066 746 R HA -0.140 4.211 4.340 0.018 0.000 0.232 746 R C 2.190 178.453 176.300 -0.061 0.000 1.131 746 R CA 1.169 57.204 56.100 -0.108 0.000 0.955 746 R CB 0.150 30.409 30.300 -0.068 0.000 0.851 746 R HN 0.253 nan 8.270 nan 0.000 0.432 747 K N -0.618 119.758 120.400 -0.040 0.000 2.211 747 K HA 0.010 4.341 4.320 0.018 0.000 0.201 747 K C 0.472 177.050 176.600 -0.037 0.000 1.052 747 K CA 0.453 56.724 56.287 -0.028 0.000 0.973 747 K CB 0.119 32.614 32.500 -0.009 0.000 0.766 747 K HN 0.035 nan 8.250 nan 0.000 0.466 748 N N 0.679 119.354 118.700 -0.041 0.000 2.726 748 N HA 0.126 4.877 4.740 0.018 0.000 0.253 748 N C -2.373 173.101 175.510 -0.059 0.000 1.530 748 N CA -1.531 51.489 53.050 -0.049 0.000 0.772 748 N CB 1.169 39.642 38.487 -0.023 0.000 1.220 748 N HN -0.190 nan 8.380 nan 0.000 0.508 749 P HA -0.067 nan 4.420 nan 0.000 0.225 749 P C 0.949 178.189 177.300 -0.100 0.000 1.156 749 P CA 0.917 63.968 63.100 -0.082 0.000 0.787 749 P CB 0.739 32.375 31.700 -0.106 0.000 0.802 750 Q N 0.092 119.748 119.800 -0.241 0.000 2.079 750 Q HA -0.161 4.190 4.340 0.018 0.000 0.200 750 Q C 2.251 178.249 176.000 -0.003 0.000 0.974 750 Q CA 1.377 56.933 55.803 -0.411 0.000 0.840 750 Q CB -0.283 28.038 28.738 -0.696 0.000 0.898 750 Q HN 0.069 nan 8.270 nan 0.000 0.430 751 K N 1.021 121.430 120.400 0.015 0.000 2.097 751 K HA -0.049 4.282 4.320 0.018 0.000 0.205 751 K C 1.764 178.428 176.600 0.106 0.000 1.050 751 K CA 1.301 57.640 56.287 0.086 0.000 0.938 751 K CB -0.402 32.129 32.500 0.053 0.000 0.718 751 K HN 0.159 nan 8.250 nan 0.000 0.442 752 A N -0.399 122.470 122.820 0.082 0.000 1.902 752 A HA -0.166 4.165 4.320 0.018 0.000 0.217 752 A C 2.206 179.866 177.584 0.126 0.000 1.181 752 A CA 1.562 53.651 52.037 0.087 0.000 0.623 752 A CB -0.995 18.039 19.000 0.056 0.000 0.818 752 A HN 0.492 nan 8.150 nan 0.000 0.443 753 Y N -0.161 120.176 120.300 0.063 0.000 2.145 753 Y HA -0.190 4.371 4.550 0.018 0.000 0.286 753 Y C 2.042 178.010 175.900 0.114 0.000 1.145 753 Y CA 1.760 59.925 58.100 0.108 0.000 1.148 753 Y CB -0.196 38.427 38.460 0.272 0.000 0.981 753 Y HN 0.214 nan 8.280 nan 0.000 0.507 754 L N 0.751 122.169 121.223 0.324 0.000 2.083 754 L HA -0.203 4.148 4.340 0.018 0.000 0.209 754 L C 2.178 179.108 176.870 0.100 0.000 1.083 754 L CA 1.713 56.694 54.840 0.236 0.000 0.752 754 L CB -1.004 41.241 42.059 0.310 0.000 0.899 754 L HN 0.196 nan 8.230 nan 0.000 0.433 755 K N -1.475 118.971 120.400 0.076 0.000 2.288 755 K HA -0.067 4.264 4.320 0.018 0.000 0.201 755 K C 1.821 178.410 176.600 -0.017 0.000 1.048 755 K CA 1.199 57.506 56.287 0.033 0.000 0.956 755 K CB 0.060 32.587 32.500 0.045 0.000 0.746 755 K HN 0.337 nan 8.250 nan 0.000 0.461 756 T N 1.557 116.069 114.554 -0.069 0.000 2.896 756 T HA 0.017 4.378 4.350 0.018 0.000 0.263 756 T C 1.281 175.874 174.700 -0.179 0.000 1.050 756 T CA 0.632 62.655 62.100 -0.127 0.000 1.140 756 T CB -0.080 68.647 68.868 -0.235 0.000 0.877 756 T HN 0.246 nan 8.240 nan 0.000 0.457 757 I N -0.391 120.039 120.570 -0.234 0.000 3.502 757 I HA 0.395 4.576 4.170 0.018 0.000 0.302 757 I C 0.026 176.061 176.117 -0.136 0.000 1.170 757 I CA -1.113 60.046 61.300 -0.234 0.000 0.953 757 I CB -0.045 37.751 38.000 -0.340 0.000 1.475 757 I HN -0.232 nan 8.210 nan 0.000 0.657 758 T N 3.335 117.799 114.554 -0.150 0.000 2.765 758 T HA 0.060 4.421 4.350 0.018 0.000 0.275 758 T C -2.180 172.478 174.700 -0.069 0.000 1.007 758 T CA -0.186 61.833 62.100 -0.135 0.000 1.175 758 T CB -0.736 68.021 68.868 -0.186 0.000 0.993 758 T HN 0.474 nan 8.240 nan 0.000 0.510 759 P HA 0.172 nan 4.420 nan 0.000 0.273 759 P C 0.972 178.205 177.300 -0.111 0.000 1.250 759 P CA -0.673 62.388 63.100 -0.064 0.000 0.793 759 P CB 0.705 32.359 31.700 -0.077 0.000 1.011 760 K N 0.638 120.898 120.400 -0.234 0.000 2.063 760 K HA -0.204 4.127 4.320 0.018 0.000 0.208 760 K C 1.825 178.224 176.600 -0.335 0.000 1.048 760 K CA 1.555 57.562 56.287 -0.467 0.000 0.928 760 K CB -0.579 31.452 32.500 -0.782 0.000 0.713 760 K HN 0.356 nan 8.250 nan 0.000 0.442 761 F N 1.790 121.346 119.950 -0.656 0.000 2.134 761 F HA -0.169 4.368 4.527 0.016 0.000 0.299 761 F C 2.017 177.575 175.800 -0.404 0.000 1.097 761 F CA 1.613 59.091 58.000 -0.870 0.000 1.264 761 F CB -0.235 38.033 39.000 -1.220 0.000 1.001 761 F HN 0.092 nan 8.300 nan 0.000 0.479 762 Q N -0.244 119.249 119.800 -0.510 0.000 2.297 762 Q HA -0.072 4.279 4.340 0.018 0.000 0.204 762 Q C 2.156 177.926 176.000 -0.383 0.000 0.962 762 Q CA 1.780 57.288 55.803 -0.492 0.000 0.879 762 Q CB -0.518 28.058 28.738 -0.271 0.000 0.947 762 Q HN 0.354 nan 8.270 nan 0.000 0.462 763 T N 0.553 114.942 114.554 -0.275 0.000 2.708 763 T HA -0.110 4.251 4.350 0.018 0.000 0.266 763 T C 1.607 176.173 174.700 -0.223 0.000 1.037 763 T CA 1.007 62.992 62.100 -0.193 0.000 1.146 763 T CB -0.216 68.657 68.868 0.008 0.000 0.865 763 T HN 0.208 nan 8.240 nan 0.000 0.435 764 L N 0.284 121.379 121.223 -0.215 0.000 2.083 764 L HA -0.046 4.305 4.340 0.018 0.000 0.209 764 L C 2.432 179.244 176.870 -0.096 0.000 1.083 764 L CA 1.085 55.859 54.840 -0.110 0.000 0.752 764 L CB -0.646 41.433 42.059 0.034 0.000 0.899 764 L HN 0.287 nan 8.230 nan 0.000 0.433 765 I N -0.015 120.387 120.570 -0.281 0.000 2.163 765 I HA -0.295 3.886 4.170 0.018 0.000 0.240 765 I C 2.298 178.345 176.117 -0.116 0.000 1.081 765 I CA 1.619 62.789 61.300 -0.218 0.000 1.353 765 I CB -0.369 37.400 38.000 -0.385 0.000 1.054 765 I HN 0.289 nan 8.210 nan 0.000 0.407 766 D N 1.029 121.320 120.400 -0.181 0.000 2.104 766 D HA -0.196 4.455 4.640 0.018 0.000 0.194 766 D C 2.028 178.288 176.300 -0.066 0.000 0.994 766 D CA 1.528 55.440 54.000 -0.147 0.000 0.830 766 D CB 0.058 40.702 40.800 -0.259 0.000 0.959 766 D HN 0.021 nan 8.370 nan 0.000 0.452 767 L N 0.245 121.404 121.223 -0.106 0.000 2.056 767 L HA -0.050 4.301 4.340 0.018 0.000 0.207 767 L C 2.604 179.572 176.870 0.164 0.000 1.078 767 L CA 1.299 56.114 54.840 -0.043 0.000 0.749 767 L CB -0.880 40.922 42.059 -0.429 0.000 0.901 767 L HN -0.006 nan 8.230 nan 0.000 0.433 768 S N -1.242 114.591 115.700 0.222 0.000 2.382 768 S HA -0.126 4.355 4.470 0.018 0.000 0.228 768 S C 2.048 176.714 174.600 0.110 0.000 1.027 768 S CA 1.196 59.567 58.200 0.286 0.000 0.991 768 S CB -0.211 63.232 63.200 0.404 0.000 0.823 768 S HN 0.217 nan 8.310 nan 0.000 0.469 769 V N 2.730 122.697 119.914 0.088 0.000 2.346 769 V HA -0.059 4.072 4.120 0.018 0.000 0.244 769 V C 2.139 178.267 176.094 0.057 0.000 1.037 769 V CA 1.528 63.864 62.300 0.060 0.000 1.029 769 V CB -0.647 31.209 31.823 0.055 0.000 0.663 769 V HN 0.646 nan 8.190 nan 0.000 0.454 770 I N -1.662 118.959 120.570 0.086 0.000 2.830 770 I HA -0.106 4.075 4.170 0.018 0.000 0.263 770 I C 2.167 178.353 176.117 0.115 0.000 1.230 770 I CA 1.613 62.973 61.300 0.099 0.000 1.480 770 I CB -0.468 37.602 38.000 0.117 0.000 1.095 770 I HN 0.326 nan 8.210 nan 0.000 0.455 771 E N 1.678 121.924 120.200 0.076 0.000 2.150 771 E HA -0.150 4.211 4.350 0.018 0.000 0.193 771 E C 2.204 178.722 176.600 -0.137 0.000 0.985 771 E CA 1.224 57.515 56.400 -0.182 0.000 0.814 771 E CB 0.020 29.519 29.700 -0.334 0.000 0.752 771 E HN 0.677 nan 8.360 nan 0.000 0.466 772 I N 0.649 121.175 120.570 -0.072 0.000 2.277 772 I HA -0.244 3.937 4.170 0.018 0.000 0.243 772 I C 2.310 178.425 176.117 -0.003 0.000 1.094 772 I CA 0.600 61.873 61.300 -0.044 0.000 1.393 772 I CB -0.158 37.830 38.000 -0.020 0.000 1.078 772 I HN 0.133 nan 8.210 nan 0.000 0.417 773 L N 0.122 121.345 121.223 0.000 0.000 2.127 773 L HA -0.196 4.155 4.340 0.018 0.000 0.211 773 L C 2.084 178.882 176.870 -0.120 0.000 1.089 773 L CA 1.196 56.019 54.840 -0.027 0.000 0.757 773 L CB -0.576 41.457 42.059 -0.044 0.000 0.899 773 L HN 0.202 nan 8.230 nan 0.000 0.434 774 S N -1.012 114.655 115.700 -0.056 0.000 2.631 774 S HA 0.129 4.610 4.470 0.018 0.000 0.217 774 S C 0.623 175.305 174.600 0.136 0.000 0.958 774 S CA 0.006 58.213 58.200 0.011 0.000 0.920 774 S CB -0.081 63.170 63.200 0.085 0.000 0.776 774 S HN 0.287 nan 8.310 nan 0.000 0.517 775 R N 1.510 122.064 120.500 0.090 0.000 2.474 775 R HA 0.369 4.720 4.340 0.018 0.000 0.295 775 R C -0.734 175.631 176.300 0.109 0.000 0.980 775 R CA -0.581 55.554 56.100 0.058 0.000 0.934 775 R CB 0.665 30.978 30.300 0.023 0.000 1.101 775 R HN 0.286 nan 8.270 nan 0.000 0.469 776 H N 0.837 119.994 119.070 0.145 0.000 2.489 776 H HA 0.257 4.824 4.556 0.018 0.000 0.322 776 H C 0.020 175.368 175.328 0.033 0.000 1.091 776 H CA -0.496 55.598 56.048 0.076 0.000 1.291 776 H CB 1.680 31.458 29.762 0.026 0.000 1.436 776 H HN 0.701 nan 8.280 nan 0.000 0.480 777 A N 2.026 124.918 122.820 0.119 0.000 2.406 777 A HA 0.078 4.409 4.320 0.018 0.000 0.243 777 A C 1.448 179.044 177.584 0.019 0.000 1.082 777 A CA 0.250 52.289 52.037 0.004 0.000 0.786 777 A CB 0.156 19.095 19.000 -0.100 0.000 1.029 777 A HN 0.840 nan 8.150 nan 0.000 0.495 778 S N -0.209 115.491 115.700 0.001 0.000 2.515 778 S HA -0.081 4.400 4.470 0.018 0.000 0.231 778 S C 0.478 175.087 174.600 0.015 0.000 0.987 778 S CA 1.069 59.283 58.200 0.023 0.000 0.936 778 S CB -0.246 62.967 63.200 0.022 0.000 0.766 778 S HN 0.784 nan 8.310 nan 0.000 0.528 779 D N 0.220 120.617 120.400 -0.006 0.000 2.501 779 D HA 0.234 4.885 4.640 0.018 0.000 0.226 779 D C 0.039 176.298 176.300 -0.069 0.000 1.198 779 D CA -0.508 53.490 54.000 -0.002 0.000 0.830 779 D CB -0.472 40.359 40.800 0.051 0.000 1.014 779 D HN 0.410 nan 8.370 nan 0.000 0.496 780 E N 0.236 120.347 120.200 -0.149 0.000 2.442 780 E HA 0.179 4.540 4.350 0.018 0.000 0.262 780 E C -0.758 175.558 176.600 -0.473 0.000 1.004 780 E CA -0.143 56.036 56.400 -0.369 0.000 0.928 780 E CB 0.902 30.242 29.700 -0.601 0.000 0.937 780 E HN -0.047 nan 8.360 nan 0.000 0.446 781 V N 5.853 125.485 119.914 -0.470 0.000 2.357 781 V HA 0.250 4.381 4.120 0.018 0.000 0.284 781 V C -0.746 175.116 176.094 -0.386 0.000 1.018 781 V CA -0.597 61.511 62.300 -0.319 0.000 0.841 781 V CB 0.198 31.898 31.823 -0.205 0.000 0.991 781 V HN 0.606 nan 8.190 nan 0.000 0.437 782 Y N 2.767 123.007 120.300 -0.099 0.000 2.374 782 Y HA 0.327 4.888 4.550 0.017 0.000 0.322 782 Y C 1.031 176.895 175.900 -0.060 0.000 1.275 782 Y CA -0.491 57.544 58.100 -0.108 0.000 1.307 782 Y CB 1.129 39.490 38.460 -0.165 0.000 1.282 782 Y HN 0.495 nan 8.280 nan 0.000 0.509 783 L N 2.059 123.370 121.223 0.147 0.000 1.990 783 L HA -0.092 4.259 4.340 0.018 0.000 0.213 783 L C 1.844 178.667 176.870 -0.078 0.000 1.072 783 L CA 1.979 56.883 54.840 0.107 0.000 0.755 783 L CB -1.163 40.959 42.059 0.104 0.000 0.889 783 L HN 0.914 nan 8.230 nan 0.000 0.432 784 G N 0.514 109.238 108.800 -0.126 0.000 2.306 784 G HA2 -0.251 3.720 3.960 0.018 0.000 0.287 784 G HA3 -0.251 3.720 3.960 0.018 0.000 0.287 784 G C 0.579 175.332 174.900 -0.244 0.000 0.578 784 G CA 0.780 45.743 45.100 -0.229 0.000 2.068 784 G HN 0.639 nan 8.290 nan 0.000 0.535 785 E N -0.879 119.054 120.200 -0.444 0.000 2.202 785 E HA -0.250 4.111 4.350 0.018 0.000 0.214 785 E C 0.520 177.080 176.600 -0.065 0.000 1.303 785 E CA 0.624 56.693 56.400 -0.553 0.000 0.714 785 E CB -0.467 28.830 29.700 -0.672 0.000 1.130 785 E HN 0.695 nan 8.360 nan 0.000 0.356 786 R N 0.697 121.290 120.500 0.156 0.000 2.589 786 R HA 0.445 4.796 4.340 0.018 0.000 0.293 786 R C -0.444 175.971 176.300 0.192 0.000 0.963 786 R CA -0.756 55.463 56.100 0.199 0.000 0.905 786 R CB 1.452 31.805 30.300 0.089 0.000 1.144 786 R HN 0.074 nan 8.270 nan 0.000 0.459 787 D N -0.202 120.267 120.400 0.115 0.000 2.566 787 D HA 0.184 4.834 4.640 0.018 0.000 0.254 787 D C 0.195 176.506 176.300 0.018 0.000 1.090 787 D CA -0.615 53.347 54.000 -0.063 0.000 1.034 787 D CB 1.941 42.613 40.800 -0.214 0.000 1.434 787 D HN 0.417 nan 8.370 nan 0.000 0.509 788 N N -0.200 118.509 118.700 0.016 0.000 2.054 788 N HA -0.040 4.711 4.740 0.018 0.000 0.193 788 N C -1.086 174.497 175.510 0.121 0.000 1.066 788 N CA 1.415 54.514 53.050 0.082 0.000 0.853 788 N CB -0.140 38.423 38.487 0.126 0.000 1.048 788 N HN 0.394 nan 8.380 nan 0.000 0.431 789 P HA 0.314 nan 4.420 nan 0.000 0.173 789 P C -0.831 176.584 177.300 0.192 0.000 0.930 789 P CA 0.495 63.689 63.100 0.157 0.000 0.917 789 P CB 0.911 32.699 31.700 0.145 0.000 0.756 790 N N -0.468 118.359 118.700 0.212 0.000 2.820 790 N HA 0.063 4.813 4.740 0.018 0.000 0.209 790 N C 0.489 176.031 175.510 0.053 0.000 1.406 790 N CA -0.220 52.893 53.050 0.106 0.000 0.916 790 N CB 0.096 38.567 38.487 -0.026 0.000 1.532 790 N HN 0.317 nan 8.380 nan 0.000 0.559 791 W N 0.102 121.404 121.300 0.003 0.000 2.387 791 W HA 0.049 4.720 4.660 0.018 0.000 0.272 791 W C -0.087 176.444 176.519 0.021 0.000 1.224 791 W CA 0.585 57.944 57.345 0.023 0.000 1.210 791 W CB -0.510 28.957 29.460 0.011 0.000 1.125 791 W HN 0.158 nan 8.180 nan 0.000 0.572 792 T N -0.079 114.130 114.554 -0.575 0.000 2.894 792 T HA 0.294 4.655 4.350 0.018 0.000 0.309 792 T C 0.661 175.099 174.700 -0.437 0.000 1.208 792 T CA 0.137 61.938 62.100 -0.498 0.000 1.016 792 T CB 1.494 69.943 68.868 -0.699 0.000 1.192 792 T HN -0.028 nan 8.240 nan 0.000 0.491 793 S N 1.454 116.975 115.700 -0.299 0.000 2.556 793 S HA 0.171 4.652 4.470 0.018 0.000 0.216 793 S C 0.417 174.894 174.600 -0.205 0.000 0.970 793 S CA -0.167 57.888 58.200 -0.242 0.000 0.912 793 S CB -0.068 63.021 63.200 -0.185 0.000 0.790 793 S HN 0.710 nan 8.310 nan 0.000 0.504 794 D N 3.461 123.733 120.400 -0.213 0.000 2.349 794 D HA 0.091 4.742 4.640 0.018 0.000 0.266 794 D C 1.453 177.667 176.300 -0.144 0.000 1.293 794 D CA 0.531 54.441 54.000 -0.150 0.000 0.926 794 D CB 1.357 42.103 40.800 -0.089 0.000 1.090 794 D HN 0.371 nan 8.370 nan 0.000 0.502 795 T N 1.760 116.252 114.554 -0.103 0.000 2.995 795 T HA -0.097 4.264 4.350 0.018 0.000 0.269 795 T C 1.705 176.393 174.700 -0.019 0.000 1.091 795 T CA 0.619 62.679 62.100 -0.066 0.000 1.128 795 T CB 0.030 68.867 68.868 -0.052 0.000 0.891 795 T HN 0.346 nan 8.240 nan 0.000 0.492 796 R N 1.402 121.881 120.500 -0.035 0.000 2.092 796 R HA 0.291 4.642 4.340 0.018 0.000 0.231 796 R C 2.913 179.261 176.300 0.081 0.000 1.119 796 R CA 1.183 57.279 56.100 -0.006 0.000 0.970 796 R CB -0.606 29.645 30.300 -0.082 0.000 0.864 796 R HN 0.503 nan 8.270 nan 0.000 0.440 797 A N 0.955 123.827 122.820 0.087 0.000 1.929 797 A HA -0.060 4.271 4.320 0.018 0.000 0.216 797 A C 1.919 179.780 177.584 0.461 0.000 1.176 797 A CA 0.872 53.110 52.037 0.334 0.000 0.628 797 A CB -0.205 19.000 19.000 0.341 0.000 0.816 797 A HN 0.068 nan 8.150 nan 0.000 0.444 798 L N 0.275 121.619 121.223 0.201 0.000 2.056 798 L HA -0.111 4.240 4.340 0.018 0.000 0.207 798 L C 2.437 179.484 176.870 0.294 0.000 1.078 798 L CA 1.673 56.660 54.840 0.244 0.000 0.749 798 L CB -1.227 40.859 42.059 0.045 0.000 0.901 798 L HN 0.425 nan 8.230 nan 0.000 0.433 799 E N -0.512 119.809 120.200 0.201 0.000 2.072 799 E HA -0.141 4.219 4.350 0.018 0.000 0.191 799 E C 2.207 178.945 176.600 0.230 0.000 0.985 799 E CA 1.266 57.767 56.400 0.168 0.000 0.801 799 E CB -0.102 29.661 29.700 0.106 0.000 0.750 799 E HN 0.434 nan 8.360 nan 0.000 0.452 800 A N 1.004 124.027 122.820 0.338 0.000 1.930 800 A HA -0.164 4.167 4.320 0.018 0.000 0.217 800 A C 2.001 179.879 177.584 0.491 0.000 1.175 800 A CA 1.007 53.317 52.037 0.455 0.000 0.627 800 A CB -0.711 18.645 19.000 0.593 0.000 0.815 800 A HN 0.247 nan 8.150 nan 0.000 0.443 801 F N 0.755 120.903 119.950 0.330 0.000 2.171 801 F HA -0.101 4.437 4.527 0.018 0.000 0.300 801 F C 2.067 177.869 175.800 0.004 0.000 1.090 801 F CA 1.981 59.920 58.000 -0.102 0.000 1.293 801 F CB -0.216 38.861 39.000 0.128 0.000 1.013 801 F HN 0.178 nan 8.300 nan 0.000 0.486 802 K N 0.534 120.958 120.400 0.039 0.000 2.032 802 K HA -0.177 4.154 4.320 0.018 0.000 0.209 802 K C 2.292 178.832 176.600 -0.100 0.000 1.048 802 K CA 1.654 57.898 56.287 -0.071 0.000 0.927 802 K CB -0.288 32.234 32.500 0.036 0.000 0.712 802 K HN 0.170 nan 8.250 nan 0.000 0.441 803 R N -1.070 119.436 120.500 0.010 0.000 2.096 803 R HA -0.109 4.242 4.340 0.018 0.000 0.235 803 R C 2.186 178.498 176.300 0.020 0.000 1.127 803 R CA 1.364 57.482 56.100 0.031 0.000 0.968 803 R CB -0.418 29.948 30.300 0.112 0.000 0.861 803 R HN 0.237 nan 8.270 nan 0.000 0.440 804 F N 0.642 120.468 119.950 -0.207 0.000 2.095 804 F HA -0.083 4.455 4.527 0.018 0.000 0.298 804 F C 2.076 177.657 175.800 -0.364 0.000 1.104 804 F CA 1.795 59.613 58.000 -0.303 0.000 1.232 804 F CB -0.832 37.795 39.000 -0.622 0.000 0.987 804 F HN -0.028 nan 8.300 nan 0.000 0.475 805 G N -0.067 108.371 108.800 -0.602 0.000 2.421 805 G HA2 -0.244 3.727 3.960 0.018 0.000 0.217 805 G HA3 -0.244 3.727 3.960 0.018 0.000 0.217 805 G C 1.521 176.207 174.900 -0.357 0.000 1.143 805 G CA 0.696 45.433 45.100 -0.605 0.000 0.784 805 G HN 0.341 nan 8.290 nan 0.000 0.541 806 N N 0.657 119.216 118.700 -0.235 0.000 2.166 806 N HA -0.070 4.681 4.740 0.018 0.000 0.186 806 N C 1.956 177.387 175.510 -0.132 0.000 1.019 806 N CA 0.936 53.896 53.050 -0.150 0.000 0.856 806 N CB -0.256 38.176 38.487 -0.093 0.000 0.993 806 N HN 0.382 nan 8.380 nan 0.000 0.426 807 K N 0.373 120.698 120.400 -0.125 0.000 2.057 807 K HA -0.071 4.260 4.320 0.018 0.000 0.207 807 K C 1.647 178.163 176.600 -0.140 0.000 1.049 807 K CA 0.739 56.973 56.287 -0.089 0.000 0.931 807 K CB 0.005 32.493 32.500 -0.020 0.000 0.714 807 K HN -0.057 nan 8.250 nan 0.000 0.440 808 L N 0.832 121.894 121.223 -0.267 0.000 2.046 808 L HA -0.105 4.246 4.340 0.018 0.000 0.208 808 L C 2.392 179.143 176.870 -0.199 0.000 1.077 808 L CA 1.953 56.623 54.840 -0.283 0.000 0.747 808 L CB -1.188 40.587 42.059 -0.472 0.000 0.896 808 L HN 0.231 nan 8.230 nan 0.000 0.432 809 A N -0.965 121.739 122.820 -0.193 0.000 1.930 809 A HA -0.242 4.089 4.320 0.018 0.000 0.217 809 A C 2.261 179.783 177.584 -0.104 0.000 1.175 809 A CA 1.559 53.508 52.037 -0.147 0.000 0.627 809 A CB -0.528 18.388 19.000 -0.140 0.000 0.815 809 A HN 0.607 nan 8.150 nan 0.000 0.443 810 Q N -0.352 119.394 119.800 -0.091 0.000 2.123 810 Q HA -0.091 4.260 4.340 0.018 0.000 0.199 810 Q C 1.882 177.854 176.000 -0.047 0.000 0.966 810 Q CA 1.518 57.285 55.803 -0.060 0.000 0.845 810 Q CB -0.295 28.414 28.738 -0.048 0.000 0.907 810 Q HN 0.621 nan 8.270 nan 0.000 0.439 811 I N 1.325 121.864 120.570 -0.053 0.000 2.252 811 I HA -0.254 3.927 4.170 0.018 0.000 0.245 811 I C 2.572 178.665 176.117 -0.039 0.000 1.102 811 I CA 1.577 62.858 61.300 -0.031 0.000 1.385 811 I CB -0.246 37.739 38.000 -0.026 0.000 1.064 811 I HN 0.413 nan 8.210 nan 0.000 0.414 812 E N 1.299 121.457 120.200 -0.069 0.000 2.097 812 E HA -0.280 4.081 4.350 0.018 0.000 0.196 812 E C 1.805 178.373 176.600 -0.053 0.000 1.000 812 E CA 1.942 58.297 56.400 -0.075 0.000 0.804 812 E CB -0.114 29.521 29.700 -0.109 0.000 0.740 812 E HN 0.560 nan 8.360 nan 0.000 0.454 813 N N 0.035 118.706 118.700 -0.049 0.000 2.142 813 N HA -0.156 4.595 4.740 0.018 0.000 0.186 813 N C 1.883 177.382 175.510 -0.018 0.000 1.023 813 N CA 0.848 53.878 53.050 -0.035 0.000 0.852 813 N CB -0.074 38.392 38.487 -0.035 0.000 0.998 813 N HN 0.059 nan 8.380 nan 0.000 0.424 814 K N 0.773 121.166 120.400 -0.012 0.000 2.097 814 K HA -0.127 4.204 4.320 0.018 0.000 0.206 814 K C 1.577 178.185 176.600 0.013 0.000 1.049 814 K CA 0.972 57.261 56.287 0.004 0.000 0.933 814 K CB 0.071 32.578 32.500 0.012 0.000 0.717 814 K HN 0.049 nan 8.250 nan 0.000 0.442 815 L N 0.779 122.008 121.223 0.010 0.000 2.072 815 L HA -0.057 4.294 4.340 0.018 0.000 0.205 815 L C 2.319 179.203 176.870 0.024 0.000 1.079 815 L CA 1.409 56.264 54.840 0.025 0.000 0.752 815 L CB -0.884 41.186 42.059 0.017 0.000 0.906 815 L HN 0.051 nan 8.230 nan 0.000 0.436 816 S N -0.658 115.043 115.700 0.003 0.000 2.370 816 S HA -0.222 4.259 4.470 0.018 0.000 0.226 816 S C 1.866 176.475 174.600 0.014 0.000 1.033 816 S CA 1.228 59.430 58.200 0.004 0.000 1.011 816 S CB -0.228 62.964 63.200 -0.014 0.000 0.852 816 S HN 0.463 nan 8.310 nan 0.000 0.457 817 E N 0.792 120.999 120.200 0.011 0.000 2.085 817 E HA -0.154 4.207 4.350 0.018 0.000 0.194 817 E C 2.389 179.003 176.600 0.025 0.000 0.994 817 E CA 0.910 57.318 56.400 0.014 0.000 0.801 817 E CB -0.092 29.614 29.700 0.010 0.000 0.743 817 E HN 0.409 nan 8.360 nan 0.000 0.453 818 R N 0.307 120.827 120.500 0.034 0.000 2.096 818 R HA -0.093 4.258 4.340 0.018 0.000 0.235 818 R C 1.923 178.256 176.300 0.056 0.000 1.127 818 R CA 1.321 57.448 56.100 0.045 0.000 0.968 818 R CB -0.330 30.003 30.300 0.055 0.000 0.861 818 R HN 0.247 nan 8.270 nan 0.000 0.440 819 N N 0.360 119.098 118.700 0.063 0.000 2.381 819 N HA -0.109 4.642 4.740 0.018 0.000 0.182 819 N C 0.789 176.332 175.510 0.055 0.000 1.025 819 N CA 0.745 53.839 53.050 0.074 0.000 0.888 819 N CB -0.028 38.506 38.487 0.078 0.000 0.965 819 N HN 0.193 nan 8.380 nan 0.000 0.438 820 N N 0.218 118.942 118.700 0.039 0.000 2.322 820 N HA -0.012 4.738 4.740 0.018 0.000 0.194 820 N C -0.922 174.604 175.510 0.027 0.000 1.126 820 N CA 0.151 53.219 53.050 0.030 0.000 0.845 820 N CB 0.362 38.861 38.487 0.021 0.000 0.976 820 N HN 0.126 nan 8.380 nan 0.000 0.475 821 D N 0.900 121.318 120.400 0.031 0.000 2.347 821 D HA -0.014 4.637 4.640 0.018 0.000 0.235 821 D C 1.125 177.442 176.300 0.028 0.000 1.149 821 D CA -0.169 53.846 54.000 0.026 0.000 0.850 821 D CB 0.793 41.608 40.800 0.026 0.000 1.061 821 D HN 0.214 nan 8.370 nan 0.000 0.487 822 E N 4.311 124.525 120.200 0.023 0.000 2.153 822 E HA -0.228 4.133 4.350 0.018 0.000 0.194 822 E C 0.844 177.456 176.600 0.020 0.000 0.988 822 E CA 1.018 57.431 56.400 0.022 0.000 0.811 822 E CB -0.171 29.539 29.700 0.017 0.000 0.746 822 E HN 0.490 nan 8.360 nan 0.000 0.466 823 K N 0.584 120.995 120.400 0.017 0.000 2.209 823 K HA 0.047 4.378 4.320 0.018 0.000 0.204 823 K C 1.140 177.749 176.600 0.016 0.000 1.048 823 K CA 0.662 56.958 56.287 0.014 0.000 0.940 823 K CB -0.126 32.381 32.500 0.012 0.000 0.729 823 K HN 0.149 nan 8.250 nan 0.000 0.451 824 L N 2.175 123.411 121.223 0.022 0.000 2.423 824 L HA 0.176 4.527 4.340 0.018 0.000 0.249 824 L C 1.481 178.369 176.870 0.030 0.000 1.276 824 L CA -0.398 54.457 54.840 0.024 0.000 1.199 824 L CB 0.065 42.143 42.059 0.032 0.000 1.407 824 L HN 0.079 nan 8.230 nan 0.000 0.410 825 R N 1.182 121.696 120.500 0.023 0.000 2.127 825 R HA -0.128 4.223 4.340 0.018 0.000 0.238 825 R C 1.245 177.565 176.300 0.033 0.000 1.134 825 R CA 1.058 57.175 56.100 0.028 0.000 0.975 825 R CB 0.135 30.447 30.300 0.019 0.000 0.865 825 R HN 0.618 nan 8.270 nan 0.000 0.447 826 N N 0.483 119.194 118.700 0.019 0.000 2.512 826 N HA -0.072 4.679 4.740 0.018 0.000 0.183 826 N C 1.379 176.914 175.510 0.042 0.000 1.073 826 N CA 0.544 53.601 53.050 0.013 0.000 0.911 826 N CB -0.093 38.377 38.487 -0.028 0.000 0.964 826 N HN 0.256 nan 8.380 nan 0.000 0.447 827 R N -0.784 119.755 120.500 0.065 0.000 2.236 827 R HA 0.148 4.499 4.340 0.018 0.000 0.208 827 R C 1.152 177.558 176.300 0.178 0.000 1.036 827 R CA 0.538 56.711 56.100 0.121 0.000 1.001 827 R CB 0.193 30.562 30.300 0.116 0.000 0.896 827 R HN 0.247 nan 8.270 nan 0.000 0.464 828 C N -1.746 117.633 119.300 0.132 0.000 2.485 828 C HA 0.413 4.883 4.460 0.018 0.000 0.445 828 C C 1.079 176.140 174.990 0.118 0.000 1.404 828 C CA 0.306 59.402 59.018 0.131 0.000 2.577 828 C CB 0.264 28.060 27.740 0.093 0.000 2.780 828 C HN 0.703 nan 8.230 nan 0.000 0.574 829 G N 1.920 110.775 108.800 0.091 0.000 2.782 829 G HA2 -0.154 3.817 3.960 0.018 0.000 0.228 829 G HA3 -0.154 3.817 3.960 0.018 0.000 0.228 829 G C -2.017 172.924 174.900 0.069 0.000 1.372 829 G CA 0.049 45.199 45.100 0.083 0.000 0.862 829 G HN 0.172 nan 8.290 nan 0.000 0.547 830 P HA 0.061 nan 4.420 nan 0.000 0.230 830 P C 1.509 178.841 177.300 0.053 0.000 1.158 830 P CA 1.250 64.381 63.100 0.051 0.000 0.769 830 P CB 0.176 31.904 31.700 0.046 0.000 0.807 831 V N -0.103 119.854 119.914 0.071 0.000 3.608 831 V HA -0.013 4.118 4.120 0.018 0.000 0.269 831 V C 0.746 176.862 176.094 0.036 0.000 1.245 831 V CA 0.427 62.767 62.300 0.067 0.000 1.138 831 V CB -1.280 30.608 31.823 0.110 0.000 0.841 831 V HN 0.255 nan 8.190 nan 0.000 0.451 832 Q N -0.322 119.506 119.800 0.046 0.000 2.443 832 Q HA -0.267 4.084 4.340 0.018 0.000 0.337 832 Q C 0.079 176.093 176.000 0.024 0.000 1.401 832 Q CA 0.743 56.569 55.803 0.038 0.000 0.943 832 Q CB -1.439 27.314 28.738 0.025 0.000 1.177 832 Q HN 0.559 nan 8.270 nan 0.000 0.394 833 M N 1.139 120.765 119.600 0.044 0.000 2.182 833 M HA 0.294 4.785 4.480 0.018 0.000 0.285 833 M C -2.482 173.916 176.300 0.162 0.000 0.956 833 M CA -1.916 53.393 55.300 0.015 0.000 0.878 833 M CB 1.296 33.841 32.600 -0.091 0.000 1.373 833 M HN -0.135 nan 8.290 nan 0.000 0.393 834 P HA -0.147 nan 4.420 nan 0.000 0.261 834 P C -1.383 176.128 177.300 0.353 0.000 1.173 834 P CA 0.360 63.592 63.100 0.219 0.000 0.760 834 P CB 0.074 31.859 31.700 0.143 0.000 0.783 835 Y N 3.752 124.176 120.300 0.208 0.000 2.680 835 Y HA 0.107 4.669 4.550 0.019 0.000 0.356 835 Y C 1.199 177.115 175.900 0.027 0.000 1.122 835 Y CA 0.608 58.815 58.100 0.178 0.000 1.509 835 Y CB -0.207 38.347 38.460 0.157 0.000 1.245 835 Y HN 0.360 nan 8.280 nan 0.000 0.513 836 T N 1.892 116.212 114.554 -0.389 0.000 3.040 836 T HA 0.025 4.386 4.350 0.018 0.000 0.266 836 T C 1.363 175.702 174.700 -0.602 0.000 1.005 836 T CA -0.167 61.715 62.100 -0.362 0.000 0.906 836 T CB -0.000 68.766 68.868 -0.170 0.000 1.082 836 T HN 0.452 nan 8.240 nan 0.000 0.531 837 L N 0.751 121.332 121.223 -1.070 0.000 2.261 837 L HA 0.192 4.543 4.340 0.018 0.000 0.216 837 L C 1.416 178.047 176.870 -0.398 0.000 1.114 837 L CA 1.062 55.408 54.840 -0.822 0.000 0.777 837 L CB -0.812 40.666 42.059 -0.967 0.000 0.910 837 L HN 0.329 nan 8.230 nan 0.000 0.440 838 L N -1.036 119.985 121.223 -0.338 0.000 2.769 838 L HA 0.213 4.564 4.340 0.018 0.000 0.240 838 L C -0.024 176.788 176.870 -0.097 0.000 1.163 838 L CA -0.293 54.484 54.840 -0.104 0.000 0.962 838 L CB -0.374 41.713 42.059 0.047 0.000 1.258 838 L HN -0.024 nan 8.230 nan 0.000 0.513 839 L N 1.498 122.626 121.223 -0.160 0.000 2.418 839 L HA 0.175 4.526 4.340 0.018 0.000 0.274 839 L C -1.044 175.722 176.870 -0.174 0.000 1.135 839 L CA -0.811 53.940 54.840 -0.149 0.000 0.870 839 L CB 0.269 42.230 42.059 -0.163 0.000 1.154 839 L HN -0.031 nan 8.230 nan 0.000 0.462 840 P HA -0.060 nan 4.420 nan 0.000 0.217 840 P C 0.134 177.248 177.300 -0.310 0.000 1.150 840 P CA 0.922 63.918 63.100 -0.173 0.000 0.832 840 P CB 0.340 31.935 31.700 -0.175 0.000 0.787 841 S N -1.285 114.179 115.700 -0.393 0.000 2.654 841 S HA 0.564 5.045 4.470 0.018 0.000 0.283 841 S C -0.052 174.116 174.600 -0.720 0.000 1.180 841 S CA -0.248 57.570 58.200 -0.637 0.000 1.021 841 S CB 0.988 63.940 63.200 -0.415 0.000 1.018 841 S HN -0.044 nan 8.310 nan 0.000 0.532 842 S N 0.109 115.191 115.700 -1.029 0.000 2.588 842 S HA 0.361 4.842 4.470 0.018 0.000 0.269 842 S C 0.256 174.576 174.600 -0.466 0.000 1.157 842 S CA -0.694 57.109 58.200 -0.662 0.000 0.824 842 S CB 1.154 63.958 63.200 -0.660 0.000 1.126 842 S HN 0.719 nan 8.310 nan 0.000 0.464 843 K N 1.940 122.216 120.400 -0.208 0.000 2.166 843 K HA 0.254 4.585 4.320 0.018 0.000 0.201 843 K C 0.082 176.684 176.600 0.003 0.000 1.052 843 K CA 1.263 57.495 56.287 -0.092 0.000 0.969 843 K CB -0.060 32.404 32.500 -0.061 0.000 0.761 843 K HN 0.776 nan 8.250 nan 0.000 0.459 844 E N -1.639 118.597 120.200 0.060 0.000 4.651 844 E HA 0.172 4.533 4.350 0.018 0.000 0.436 844 E C -0.631 176.032 176.600 0.105 0.000 1.180 844 E CA 0.220 56.687 56.400 0.113 0.000 2.014 844 E CB -0.469 29.270 29.700 0.064 0.000 0.945 844 E HN 0.509 nan 8.360 nan 0.000 0.428 845 G N 2.101 110.972 108.800 0.117 0.000 2.451 845 G HA2 -0.119 3.852 3.960 0.018 0.000 0.208 845 G HA3 -0.119 3.852 3.960 0.018 0.000 0.208 845 G C -1.176 173.751 174.900 0.047 0.000 1.248 845 G CA -0.368 44.766 45.100 0.057 0.000 0.989 845 G HN 0.728 nan 8.290 nan 0.000 0.559 846 L N 2.316 123.547 121.223 0.013 0.000 2.387 846 L HA 0.587 4.938 4.340 0.018 0.000 0.267 846 L C 0.485 177.389 176.870 0.056 0.000 1.197 846 L CA 0.615 55.461 54.840 0.009 0.000 1.070 846 L CB -0.765 41.258 42.059 -0.059 0.000 1.349 846 L HN 0.650 nan 8.230 nan 0.000 0.422 847 T N 3.536 118.142 114.554 0.087 0.000 2.829 847 T HA 0.231 4.592 4.350 0.018 0.000 0.280 847 T C 0.023 174.826 174.700 0.172 0.000 0.999 847 T CA -0.236 61.936 62.100 0.120 0.000 0.983 847 T CB 1.079 70.045 68.868 0.163 0.000 0.968 847 T HN 0.264 nan 8.240 nan 0.000 0.446 848 F N 6.233 126.178 119.950 -0.008 0.000 2.974 848 F HA 0.392 4.930 4.527 0.017 0.000 0.292 848 F C 0.679 176.456 175.800 -0.038 0.000 1.209 848 F CA -0.863 57.127 58.000 -0.017 0.000 1.366 848 F CB -0.477 38.481 39.000 -0.069 0.000 1.033 848 F HN 0.502 nan 8.300 nan 0.000 0.516 849 R N -0.690 119.774 120.500 -0.059 0.000 2.733 849 R HA 0.740 5.091 4.340 0.018 0.000 0.272 849 R C -0.741 175.504 176.300 -0.092 0.000 1.029 849 R CA -0.877 55.128 56.100 -0.159 0.000 0.888 849 R CB 1.085 31.289 30.300 -0.159 0.000 1.251 849 R HN 0.329 nan 8.270 nan 0.000 0.464 850 G N 1.125 109.799 108.800 -0.208 0.000 3.444 850 G HA2 0.035 4.006 3.960 0.018 0.000 0.685 850 G HA3 0.035 4.006 3.960 0.018 0.000 0.685 850 G C -0.944 173.900 174.900 -0.092 0.000 1.145 850 G CA -0.680 44.228 45.100 -0.319 0.000 0.973 850 G HN 0.515 nan 8.290 nan 0.000 0.525 851 I N 4.318 124.906 120.570 0.030 0.000 2.337 851 I HA 0.268 4.449 4.170 0.018 0.000 0.285 851 I C -2.038 174.214 176.117 0.225 0.000 1.041 851 I CA -2.262 59.114 61.300 0.127 0.000 1.199 851 I CB 1.970 40.012 38.000 0.070 0.000 1.370 851 I HN 0.173 nan 8.210 nan 0.000 0.470 852 P HA 0.120 nan 4.420 nan 0.000 0.272 852 P C 0.355 177.694 177.300 0.066 0.000 1.223 852 P CA -0.235 62.850 63.100 -0.026 0.000 0.784 852 P CB 0.638 32.362 31.700 0.040 0.000 0.923 853 N N -0.415 118.288 118.700 0.005 0.000 2.272 853 N HA -0.089 4.662 4.740 0.018 0.000 0.185 853 N C 0.665 176.284 175.510 0.181 0.000 1.014 853 N CA 1.229 54.345 53.050 0.109 0.000 0.870 853 N CB -0.186 38.204 38.487 -0.161 0.000 0.975 853 N HN 0.560 nan 8.380 nan 0.000 0.433 854 S N -1.223 114.502 115.700 0.040 0.000 2.661 854 S HA 0.539 5.020 4.470 0.018 0.000 0.285 854 S C -0.441 174.126 174.600 -0.056 0.000 1.138 854 S CA -0.918 57.286 58.200 0.007 0.000 0.855 854 S CB 1.409 64.563 63.200 -0.077 0.000 1.136 854 S HN 0.002 nan 8.310 nan 0.000 0.484 855 I N 3.058 123.516 120.570 -0.187 0.000 2.329 855 I HA 0.165 4.346 4.170 0.018 0.000 0.295 855 I C 1.028 176.985 176.117 -0.266 0.000 1.109 855 I CA -0.098 60.901 61.300 -0.503 0.000 1.297 855 I CB 0.759 38.287 38.000 -0.787 0.000 1.433 855 I HN 0.850 nan 8.210 nan 0.000 0.509 856 S N 5.326 120.968 115.700 -0.097 0.000 2.540 856 S HA 0.359 4.840 4.470 0.018 0.000 0.222 856 S C 0.127 174.790 174.600 0.104 0.000 1.008 856 S CA -0.273 57.928 58.200 0.002 0.000 0.939 856 S CB 0.368 63.574 63.200 0.010 0.000 0.865 856 S HN 0.466 nan 8.310 nan 0.000 0.499 857 I N 0.000 120.674 120.570 0.173 0.000 2.984 857 I HA 0.000 4.181 4.170 0.018 0.000 0.288 857 I CA 0.000 61.453 61.300 0.256 0.000 1.566 857 I CB 0.000 38.140 38.000 0.233 0.000 1.214 857 I HN 0.000 nan 8.210 nan 0.000 0.494