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 1hu9_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 3.974 3.960 0.023 0.000 0.244 9 G C 0.000 175.037 174.900 0.228 0.000 0.946 9 G CA 0.000 45.169 45.100 0.115 0.000 0.502 10 H N -0.438 118.697 119.070 0.108 0.000 2.886 10 H HA 0.489 5.059 4.556 0.023 0.000 0.259 10 H C -1.780 173.641 175.328 0.155 0.000 1.492 10 H CA -0.259 55.864 56.048 0.126 0.000 1.163 10 H CB 1.292 31.143 29.762 0.148 0.000 1.872 10 H HN 0.233 nan 8.280 nan 0.000 0.631 11 K N 2.439 122.630 120.400 -0.348 0.000 2.761 11 K HA 0.315 4.649 4.320 0.023 0.000 0.257 11 K C -1.094 175.482 176.600 -0.040 0.000 1.053 11 K CA -0.333 55.887 56.287 -0.112 0.000 1.035 11 K CB 0.576 32.975 32.500 -0.168 0.000 1.267 11 K HN 0.372 nan 8.250 nan 0.000 0.505 12 I N 3.703 124.409 120.570 0.226 0.000 2.648 12 I HA -0.005 4.178 4.170 0.023 0.000 0.284 12 I C 0.263 176.465 176.117 0.140 0.000 1.153 12 I CA 0.270 61.706 61.300 0.227 0.000 1.426 12 I CB 0.626 38.722 38.000 0.161 0.000 1.381 12 I HN 0.393 nan 8.210 nan 0.000 0.571 13 K N 5.040 125.501 120.400 0.101 0.000 2.262 13 K HA 0.438 4.771 4.320 0.023 0.000 0.282 13 K C 0.089 176.716 176.600 0.045 0.000 1.066 13 K CA -0.265 56.043 56.287 0.034 0.000 0.901 13 K CB 1.294 33.810 32.500 0.027 0.000 1.089 13 K HN 0.798 nan 8.250 nan 0.000 0.476 14 G N 0.811 109.611 108.800 0.001 0.000 2.495 14 G HA2 0.379 4.353 3.960 0.023 0.000 0.318 14 G HA3 0.379 4.353 3.960 0.023 0.000 0.318 14 G C -1.112 173.763 174.900 -0.042 0.000 1.257 14 G CA -0.416 44.702 45.100 0.030 0.000 0.962 14 G HN 0.362 nan 8.290 nan 0.000 0.483 15 T N 0.578 115.118 114.554 -0.024 0.000 2.815 15 T HA 0.489 4.853 4.350 0.023 0.000 0.289 15 T C -0.579 174.098 174.700 -0.037 0.000 1.000 15 T CA -0.408 61.674 62.100 -0.030 0.000 0.958 15 T CB 0.979 69.836 68.868 -0.019 0.000 0.944 15 T HN 0.336 nan 8.240 nan 0.000 0.442 16 V N 6.087 125.979 119.914 -0.036 0.000 2.432 16 V HA 0.513 4.647 4.120 0.023 0.000 0.275 16 V C 0.020 176.112 176.094 -0.003 0.000 1.043 16 V CA -0.548 61.721 62.300 -0.051 0.000 0.925 16 V CB 1.559 33.338 31.823 -0.072 0.000 0.985 16 V HN 0.783 nan 8.190 nan 0.000 0.466 17 V N 6.669 126.563 119.914 -0.034 0.000 2.448 17 V HA 0.593 4.726 4.120 0.023 0.000 0.295 17 V C -0.197 175.872 176.094 -0.043 0.000 1.025 17 V CA -0.433 61.853 62.300 -0.024 0.000 0.859 17 V CB 1.535 33.355 31.823 -0.004 0.000 0.988 17 V HN 0.729 nan 8.190 nan 0.000 0.431 18 L N 2.784 123.981 121.223 -0.044 0.000 2.389 18 L HA 0.806 5.159 4.340 0.023 0.000 0.249 18 L C -1.269 175.608 176.870 0.011 0.000 1.083 18 L CA -0.978 53.837 54.840 -0.041 0.000 0.876 18 L CB 2.470 44.425 42.059 -0.172 0.000 1.489 18 L HN 0.606 nan 8.230 nan 0.000 0.412 19 M N 0.680 120.338 119.600 0.097 0.000 2.386 19 M HA 0.545 5.038 4.480 0.023 0.000 0.293 19 M C -0.732 175.684 176.300 0.193 0.000 1.120 19 M CA -0.435 54.938 55.300 0.122 0.000 0.909 19 M CB 3.212 35.898 32.600 0.143 0.000 1.661 19 M HN 0.586 nan 8.290 nan 0.000 0.452 20 R N 0.955 121.583 120.500 0.214 0.000 2.531 20 R HA 0.235 4.589 4.340 0.023 0.000 0.273 20 R C 1.037 177.534 176.300 0.328 0.000 1.070 20 R CA -0.484 55.816 56.100 0.333 0.000 1.112 20 R CB 0.931 31.424 30.300 0.322 0.000 1.049 20 R HN 0.613 nan 8.270 nan 0.000 0.508 21 K N 1.955 122.598 120.400 0.405 0.000 2.113 21 K HA -0.272 4.061 4.320 0.023 0.000 0.208 21 K C 0.767 177.538 176.600 0.285 0.000 1.047 21 K CA 2.203 58.750 56.287 0.434 0.000 0.928 21 K CB -0.027 32.665 32.500 0.320 0.000 0.716 21 K HN 0.535 nan 8.250 nan 0.000 0.446 22 N N -0.143 118.684 118.700 0.212 0.000 2.149 22 N HA -0.161 4.592 4.740 0.023 0.000 0.188 22 N C 1.644 177.244 175.510 0.150 0.000 1.019 22 N CA 1.361 54.501 53.050 0.150 0.000 0.857 22 N CB -0.032 38.531 38.487 0.127 0.000 0.997 22 N HN -0.039 nan 8.380 nan 0.000 0.426 23 V N 0.640 120.656 119.914 0.169 0.000 2.358 23 V HA -0.113 4.021 4.120 0.023 0.000 0.246 23 V C 1.762 177.963 176.094 0.180 0.000 1.047 23 V CA 1.239 63.628 62.300 0.149 0.000 1.035 23 V CB -0.307 31.590 31.823 0.124 0.000 0.658 23 V HN 0.325 nan 8.190 nan 0.000 0.452 24 L N -0.605 120.757 121.223 0.233 0.000 2.463 24 L HA 0.250 4.603 4.340 0.023 0.000 0.219 24 L C 0.718 177.827 176.870 0.398 0.000 1.088 24 L CA 0.530 55.543 54.840 0.288 0.000 0.849 24 L CB -0.946 41.285 42.059 0.287 0.000 1.012 24 L HN 0.357 nan 8.230 nan 0.000 0.468 25 D N -0.012 120.553 120.400 0.274 0.000 2.383 25 D HA 0.009 4.663 4.640 0.023 0.000 0.252 25 D C 1.290 177.536 176.300 -0.089 0.000 1.166 25 D CA 0.194 54.261 54.000 0.112 0.000 0.879 25 D CB 1.922 42.755 40.800 0.055 0.000 1.164 25 D HN -0.135 nan 8.370 nan 0.000 0.462 26 V N 4.456 124.075 119.914 -0.492 0.000 2.343 26 V HA -0.255 3.879 4.120 0.023 0.000 0.247 26 V C 1.444 177.174 176.094 -0.606 0.000 1.051 26 V CA 2.164 63.791 62.300 -1.123 0.000 1.036 26 V CB -0.613 30.137 31.823 -1.789 0.000 0.654 26 V HN 0.657 nan 8.190 nan 0.000 0.451 27 N N 0.544 119.012 118.700 -0.386 0.000 2.272 27 N HA -0.146 4.608 4.740 0.023 0.000 0.185 27 N C 1.624 177.053 175.510 -0.134 0.000 1.014 27 N CA 1.514 54.432 53.050 -0.220 0.000 0.870 27 N CB -0.146 38.269 38.487 -0.120 0.000 0.975 27 N HN 0.699 nan 8.380 nan 0.000 0.433 28 S N -0.983 114.656 115.700 -0.103 0.000 2.512 28 S HA 0.137 4.621 4.470 0.023 0.000 0.216 28 S C 1.180 175.769 174.600 -0.020 0.000 1.006 28 S CA -0.420 57.757 58.200 -0.037 0.000 0.915 28 S CB 0.580 63.784 63.200 0.006 0.000 0.824 28 S HN 0.071 nan 8.310 nan 0.000 0.497 29 V N 2.528 122.417 119.914 -0.041 0.000 3.342 29 V HA 0.257 4.390 4.120 0.023 0.000 0.322 29 V C 1.687 177.778 176.094 -0.003 0.000 1.370 29 V CA 0.921 63.234 62.300 0.022 0.000 1.170 29 V CB -0.305 31.594 31.823 0.127 0.000 1.101 29 V HN 0.621 nan 8.190 nan 0.000 0.442 30 T N -1.541 112.970 114.554 -0.070 0.000 3.227 30 T HA -0.052 4.312 4.350 0.023 0.000 0.257 30 T C 1.805 176.498 174.700 -0.012 0.000 1.162 30 T CA 1.479 63.539 62.100 -0.065 0.000 1.051 30 T CB -0.054 68.751 68.868 -0.105 0.000 0.953 30 T HN 0.547 nan 8.240 nan 0.000 0.535 31 S N 0.082 115.786 115.700 0.007 0.000 2.441 31 S HA 0.168 4.652 4.470 0.023 0.000 0.224 31 S C 0.653 175.270 174.600 0.028 0.000 1.043 31 S CA 0.373 58.583 58.200 0.017 0.000 0.948 31 S CB 0.077 63.288 63.200 0.019 0.000 0.810 31 S HN 0.464 nan 8.310 nan 0.000 0.504 32 V N -0.264 119.675 119.914 0.042 0.000 2.394 32 V HA 0.899 5.032 4.120 0.023 0.000 0.282 32 V C 0.629 176.758 176.094 0.058 0.000 1.031 32 V CA 0.091 62.420 62.300 0.048 0.000 0.881 32 V CB 0.851 32.706 31.823 0.053 0.000 0.982 32 V HN 0.255 nan 8.190 nan 0.000 0.451 33 G N 2.419 111.246 108.800 0.045 0.000 3.912 33 G HA2 0.261 4.234 3.960 0.023 0.000 0.203 33 G HA3 0.261 4.234 3.960 0.023 0.000 0.203 33 G C 0.760 175.679 174.900 0.030 0.000 1.112 33 G CA 0.476 45.602 45.100 0.044 0.000 0.871 33 G HN 1.138 nan 8.290 nan 0.000 0.549 34 G N 0.664 109.480 108.800 0.027 0.000 2.494 34 G HA2 0.407 4.381 3.960 0.023 0.000 0.216 34 G HA3 0.407 4.381 3.960 0.023 0.000 0.216 34 G C 0.368 175.279 174.900 0.019 0.000 1.140 34 G CA 1.297 46.410 45.100 0.021 0.000 0.801 34 G HN 0.758 nan 8.290 nan 0.000 0.536 35 I N -1.717 118.866 120.570 0.023 0.000 2.752 35 I HA 0.540 4.723 4.170 0.023 0.000 0.290 35 I C -1.562 174.571 176.117 0.026 0.000 1.507 35 I CA -1.488 59.825 61.300 0.021 0.000 1.038 35 I CB 1.340 39.350 38.000 0.016 0.000 1.390 35 I HN -0.226 nan 8.210 nan 0.000 0.435 36 I N 3.043 123.629 120.570 0.026 0.000 2.969 36 I HA 0.782 4.965 4.170 0.023 0.000 0.307 36 I C 1.044 177.177 176.117 0.026 0.000 1.149 36 I CA 0.457 61.776 61.300 0.031 0.000 1.008 36 I CB 1.989 40.014 38.000 0.041 0.000 1.232 36 I HN 0.974 nan 8.210 nan 0.000 0.435 37 G N 4.135 112.952 108.800 0.028 0.000 2.279 37 G HA2 -0.195 3.779 3.960 0.023 0.000 0.223 37 G HA3 -0.195 3.779 3.960 0.023 0.000 0.223 37 G C 0.194 175.105 174.900 0.018 0.000 1.015 37 G CA -0.167 44.948 45.100 0.024 0.000 0.621 37 G HN 0.508 nan 8.290 nan 0.000 0.506 38 Q N -0.737 119.073 119.800 0.017 0.000 2.286 38 Q HA 0.656 5.010 4.340 0.023 0.000 0.250 38 Q C 0.712 176.720 176.000 0.015 0.000 1.021 38 Q CA 0.663 56.474 55.803 0.013 0.000 0.930 38 Q CB 1.545 30.289 28.738 0.010 0.000 1.266 38 Q HN 1.711 nan 8.270 nan 0.000 0.491 39 G N 0.571 109.378 108.800 0.011 0.000 2.618 39 G HA2 -0.106 3.867 3.960 0.023 0.000 0.180 39 G HA3 -0.106 3.867 3.960 0.023 0.000 0.180 39 G C -0.117 174.787 174.900 0.007 0.000 1.092 39 G CA -0.210 44.896 45.100 0.011 0.000 0.856 39 G HN 0.691 nan 8.290 nan 0.000 0.496 40 L N -0.639 120.585 121.223 0.003 0.000 4.696 40 L HA -0.202 4.151 4.340 0.023 0.000 0.425 40 L C 0.560 177.428 176.870 -0.005 0.000 1.115 40 L CA 2.459 57.298 54.840 -0.002 0.000 0.996 40 L CB -1.304 40.752 42.059 -0.003 0.000 2.077 40 L HN 0.975 nan 8.230 nan 0.000 0.792 41 D N -0.432 119.968 120.400 0.000 0.000 2.735 41 D HA -0.191 4.462 4.640 0.023 0.000 0.235 41 D C 0.684 176.980 176.300 -0.006 0.000 1.175 41 D CA 0.926 54.926 54.000 0.000 0.000 0.683 41 D CB -0.804 39.994 40.800 -0.003 0.000 1.008 41 D HN 0.379 nan 8.370 nan 0.000 0.416 42 L N -0.930 120.292 121.223 -0.001 0.000 4.272 42 L HA -0.230 4.123 4.340 0.023 0.000 0.479 42 L C 1.836 178.688 176.870 -0.030 0.000 1.045 42 L CA 0.994 55.829 54.840 -0.007 0.000 0.625 42 L CB -1.168 40.896 42.059 0.008 0.000 1.189 42 L HN 0.423 nan 8.230 nan 0.000 0.704 43 V N -0.690 119.200 119.914 -0.040 0.000 3.330 43 V HA 0.084 4.217 4.120 0.023 0.000 0.273 43 V C 2.006 178.037 176.094 -0.105 0.000 1.179 43 V CA 1.233 63.494 62.300 -0.066 0.000 1.174 43 V CB -0.895 30.893 31.823 -0.058 0.000 0.794 43 V HN 1.088 nan 8.190 nan 0.000 0.527 44 G N 0.733 109.477 108.800 -0.093 0.000 2.900 44 G HA2 -0.426 3.548 3.960 0.023 0.000 0.223 44 G HA3 -0.426 3.548 3.960 0.023 0.000 0.223 44 G C 1.335 176.169 174.900 -0.110 0.000 1.293 44 G CA 1.248 46.270 45.100 -0.131 0.000 0.792 44 G HN 1.283 nan 8.290 nan 0.000 0.527 45 S N 0.399 116.027 115.700 -0.119 0.000 2.365 45 S HA -0.041 4.443 4.470 0.023 0.000 0.221 45 S C 1.536 176.113 174.600 -0.038 0.000 1.037 45 S CA 2.418 60.568 58.200 -0.085 0.000 1.060 45 S CB -1.176 61.974 63.200 -0.083 0.000 0.974 45 S HN 1.853 nan 8.310 nan 0.000 0.427 46 T N 3.206 117.742 114.554 -0.030 0.000 2.933 46 T HA 0.139 4.502 4.350 0.023 0.000 0.306 46 T C 0.383 175.085 174.700 0.003 0.000 1.045 46 T CA 0.404 62.497 62.100 -0.011 0.000 1.143 46 T CB -0.644 68.218 68.868 -0.010 0.000 1.003 46 T HN 0.641 nan 8.240 nan 0.000 0.540 47 L N 4.033 125.262 121.223 0.011 0.000 3.550 47 L HA -0.140 4.213 4.340 0.023 0.000 0.523 47 L C 0.038 176.930 176.870 0.036 0.000 1.312 47 L CA 0.477 55.331 54.840 0.024 0.000 0.864 47 L CB -1.877 40.198 42.059 0.027 0.000 1.592 47 L HN 0.896 nan 8.230 nan 0.000 0.859 48 D N 0.429 120.849 120.400 0.034 0.000 2.368 48 D HA 0.240 4.894 4.640 0.023 0.000 0.268 48 D C 1.562 177.908 176.300 0.077 0.000 1.298 48 D CA 1.132 55.164 54.000 0.053 0.000 0.938 48 D CB 0.685 41.509 40.800 0.040 0.000 1.101 48 D HN 0.509 nan 8.370 nan 0.000 0.509 49 T N 0.118 114.741 114.554 0.116 0.000 3.004 49 T HA 0.088 4.452 4.350 0.023 0.000 0.266 49 T C 1.806 176.641 174.700 0.226 0.000 0.986 49 T CA -0.325 61.853 62.100 0.131 0.000 0.902 49 T CB -0.184 68.758 68.868 0.124 0.000 1.118 49 T HN 0.305 nan 8.240 nan 0.000 0.522 50 L N 1.345 122.744 121.223 0.294 0.000 2.362 50 L HA 0.030 4.383 4.340 0.023 0.000 0.219 50 L C 2.499 179.670 176.870 0.502 0.000 1.134 50 L CA 0.913 56.072 54.840 0.532 0.000 0.807 50 L CB -1.235 41.032 42.059 0.346 0.000 0.927 50 L HN 0.290 nan 8.230 nan 0.000 0.447 51 T N 0.474 115.188 114.554 0.265 0.000 2.929 51 T HA -0.139 4.225 4.350 0.023 0.000 0.271 51 T C 2.110 176.898 174.700 0.147 0.000 1.085 51 T CA 1.132 63.344 62.100 0.187 0.000 1.125 51 T CB -0.083 68.846 68.868 0.102 0.000 0.874 51 T HN 0.491 nan 8.240 nan 0.000 0.494 52 A N 0.965 123.851 122.820 0.110 0.000 1.978 52 A HA -0.044 4.290 4.320 0.023 0.000 0.220 52 A C 1.752 179.249 177.584 -0.145 0.000 1.170 52 A CA 1.308 53.303 52.037 -0.069 0.000 0.636 52 A CB -0.875 17.999 19.000 -0.209 0.000 0.810 52 A HN 0.544 nan 8.150 nan 0.000 0.448 53 F N -0.716 119.200 119.950 -0.056 0.000 2.558 53 F HA 0.165 4.705 4.527 0.022 0.000 0.298 53 F C 0.636 176.349 175.800 -0.145 0.000 1.119 53 F CA -0.221 57.654 58.000 -0.207 0.000 1.451 53 F CB -0.324 38.304 39.000 -0.619 0.000 1.091 53 F HN 0.021 nan 8.300 nan 0.000 0.563 54 L N -0.624 120.677 121.223 0.130 0.000 2.468 54 L HA 0.560 4.913 4.340 0.023 0.000 0.254 54 L C 1.092 177.995 176.870 0.055 0.000 1.171 54 L CA 0.261 55.160 54.840 0.098 0.000 0.809 54 L CB -0.059 42.071 42.059 0.119 0.000 1.155 54 L HN 0.328 nan 8.230 nan 0.000 0.473 55 G N 1.098 109.913 108.800 0.026 0.000 2.496 55 G HA2 -0.216 3.757 3.960 0.023 0.000 0.243 55 G HA3 -0.216 3.757 3.960 0.023 0.000 0.243 55 G C 0.278 175.110 174.900 -0.112 0.000 1.176 55 G CA -0.353 44.716 45.100 -0.052 0.000 0.940 55 G HN 0.442 nan 8.290 nan 0.000 0.573 56 R N 1.028 121.412 120.500 -0.194 0.000 2.752 56 R HA 0.410 4.763 4.340 0.023 0.000 0.279 56 R C 1.922 178.286 176.300 0.107 0.000 1.212 56 R CA 0.816 56.712 56.100 -0.341 0.000 1.169 56 R CB -0.321 29.698 30.300 -0.470 0.000 1.286 56 R HN 0.381 nan 8.270 nan 0.000 0.564 57 S N -0.521 115.334 115.700 0.258 0.000 2.371 57 S HA 0.067 4.550 4.470 0.023 0.000 0.221 57 S C 0.927 175.850 174.600 0.539 0.000 1.036 57 S CA 0.440 58.841 58.200 0.334 0.000 0.965 57 S CB 0.519 63.794 63.200 0.126 0.000 0.845 57 S HN 0.016 nan 8.310 nan 0.000 0.475 58 V N 2.157 122.357 119.914 0.477 0.000 2.686 58 V HA 0.600 4.733 4.120 0.023 0.000 0.306 58 V C -0.738 175.448 176.094 0.153 0.000 1.065 58 V CA -0.820 61.665 62.300 0.308 0.000 0.894 58 V CB 1.904 33.826 31.823 0.166 0.000 1.004 58 V HN 0.371 nan 8.190 nan 0.000 0.424 59 S N 5.079 120.757 115.700 -0.037 0.000 2.500 59 S HA 0.900 5.384 4.470 0.023 0.000 0.301 59 S C -1.206 173.340 174.600 -0.091 0.000 1.092 59 S CA -0.693 57.302 58.200 -0.342 0.000 1.030 59 S CB 1.767 64.495 63.200 -0.786 0.000 1.031 59 S HN 0.387 nan 8.310 nan 0.000 0.483 60 L N 2.123 123.342 121.223 -0.008 0.000 2.334 60 L HA 0.678 5.031 4.340 0.023 0.000 0.273 60 L C -0.151 176.788 176.870 0.116 0.000 1.013 60 L CA -0.238 54.673 54.840 0.119 0.000 0.816 60 L CB 1.839 43.972 42.059 0.124 0.000 1.278 60 L HN 0.917 nan 8.230 nan 0.000 0.431 61 Q N 2.178 122.030 119.800 0.086 0.000 2.269 61 Q HA 0.463 4.817 4.340 0.023 0.000 0.263 61 Q C -1.670 174.301 176.000 -0.048 0.000 0.983 61 Q CA -0.678 55.160 55.803 0.058 0.000 0.777 61 Q CB 1.360 30.203 28.738 0.175 0.000 1.273 61 Q HN 0.393 nan 8.270 nan 0.000 0.440 62 L N 4.702 125.799 121.223 -0.210 0.000 2.426 62 L HA 0.373 4.727 4.340 0.023 0.000 0.271 62 L C 0.021 176.878 176.870 -0.023 0.000 1.169 62 L CA 0.306 54.977 54.840 -0.283 0.000 0.836 62 L CB 0.412 42.057 42.059 -0.691 0.000 1.112 62 L HN 0.710 nan 8.230 nan 0.000 0.465 63 I N 1.487 121.997 120.570 -0.099 0.000 2.389 63 I HA 0.157 4.341 4.170 0.023 0.000 0.288 63 I C 0.488 176.655 176.117 0.085 0.000 0.999 63 I CA -0.330 60.926 61.300 -0.073 0.000 1.129 63 I CB 1.915 39.618 38.000 -0.495 0.000 1.288 63 I HN 0.575 nan 8.210 nan 0.000 0.444 64 S N 4.190 120.052 115.700 0.270 0.000 2.531 64 S HA 0.354 4.838 4.470 0.023 0.000 0.279 64 S C 0.998 175.712 174.600 0.189 0.000 1.305 64 S CA -0.186 58.208 58.200 0.323 0.000 1.058 64 S CB 1.093 64.487 63.200 0.323 0.000 0.899 64 S HN 0.741 nan 8.310 nan 0.000 0.493 65 A N 3.941 126.864 122.820 0.171 0.000 2.275 65 A HA 0.213 4.547 4.320 0.023 0.000 0.212 65 A C 1.565 179.203 177.584 0.090 0.000 1.201 65 A CA 0.612 52.724 52.037 0.125 0.000 0.843 65 A CB -0.141 18.933 19.000 0.123 0.000 0.873 65 A HN 0.803 nan 8.150 nan 0.000 0.492 66 T N -1.587 113.031 114.554 0.106 0.000 2.964 66 T HA 0.205 4.569 4.350 0.023 0.000 0.249 66 T C 0.486 175.220 174.700 0.058 0.000 1.000 66 T CA 0.203 62.343 62.100 0.066 0.000 0.992 66 T CB 0.271 69.176 68.868 0.062 0.000 1.087 66 T HN 0.206 nan 8.240 nan 0.000 0.489 67 K N 2.120 122.566 120.400 0.077 0.000 2.293 67 K HA 0.712 5.045 4.320 0.023 0.000 0.267 67 K C -1.025 175.613 176.600 0.064 0.000 1.010 67 K CA -0.272 56.042 56.287 0.046 0.000 0.875 67 K CB 1.171 33.677 32.500 0.010 0.000 1.106 67 K HN 0.221 nan 8.250 nan 0.000 0.450 68 A N 3.593 126.442 122.820 0.049 0.000 2.317 68 A HA 0.405 4.739 4.320 0.023 0.000 0.327 68 A C -0.383 177.225 177.584 0.041 0.000 1.178 68 A CA -0.782 51.290 52.037 0.059 0.000 0.817 68 A CB 0.471 19.498 19.000 0.045 0.000 1.189 68 A HN 0.879 nan 8.150 nan 0.000 0.489 69 D N 2.265 122.696 120.400 0.051 0.000 2.233 69 D HA 0.346 5.000 4.640 0.023 0.000 0.281 69 D C 1.585 177.898 176.300 0.021 0.000 1.175 69 D CA 0.351 54.372 54.000 0.036 0.000 1.034 69 D CB -0.499 40.331 40.800 0.051 0.000 1.133 69 D HN 0.500 nan 8.370 nan 0.000 0.519 70 A N -0.183 122.648 122.820 0.018 0.000 1.870 70 A HA -0.346 3.988 4.320 0.023 0.000 0.219 70 A C 2.035 179.621 177.584 0.004 0.000 1.224 70 A CA 3.049 55.092 52.037 0.010 0.000 0.650 70 A CB -1.603 17.402 19.000 0.009 0.000 0.836 70 A HN 0.717 nan 8.150 nan 0.000 0.454 71 N N -2.118 116.582 118.700 0.001 0.000 2.174 71 N HA 0.268 5.022 4.740 0.023 0.000 0.191 71 N C 1.117 176.623 175.510 -0.007 0.000 1.059 71 N CA 2.149 55.194 53.050 -0.008 0.000 0.889 71 N CB -0.115 38.360 38.487 -0.020 0.000 1.069 71 N HN 0.408 nan 8.380 nan 0.000 0.461 72 G N -1.073 107.721 108.800 -0.010 0.000 4.189 72 G HA2 0.141 4.115 3.960 0.023 0.000 0.220 72 G HA3 0.141 4.115 3.960 0.023 0.000 0.220 72 G C -0.828 174.077 174.900 0.009 0.000 1.071 72 G CA -0.427 44.672 45.100 -0.002 0.000 0.854 72 G HN 0.156 nan 8.290 nan 0.000 0.426 73 K N 1.270 121.670 120.400 -0.000 0.000 2.205 73 K HA 0.490 4.824 4.320 0.023 0.000 0.279 73 K C 0.971 177.688 176.600 0.194 0.000 1.027 73 K CA -0.238 56.058 56.287 0.015 0.000 0.932 73 K CB 1.710 34.125 32.500 -0.143 0.000 1.032 73 K HN 0.137 nan 8.250 nan 0.000 0.466 74 G N 2.339 111.378 108.800 0.399 0.000 2.464 74 G HA2 -0.135 3.839 3.960 0.023 0.000 0.231 74 G HA3 -0.135 3.839 3.960 0.023 0.000 0.231 74 G C -0.366 174.696 174.900 0.270 0.000 1.267 74 G CA -0.180 45.110 45.100 0.316 0.000 0.863 74 G HN 0.555 nan 8.290 nan 0.000 0.559 75 K N 1.654 122.159 120.400 0.174 0.000 2.339 75 K HA 0.267 4.600 4.320 0.023 0.000 0.286 75 K C 0.624 177.328 176.600 0.173 0.000 1.050 75 K CA -0.451 55.915 56.287 0.132 0.000 0.956 75 K CB 0.246 32.766 32.500 0.034 0.000 0.990 75 K HN 0.471 nan 8.250 nan 0.000 0.475 76 L N 1.549 122.880 121.223 0.181 0.000 2.275 76 L HA 0.563 4.917 4.340 0.023 0.000 0.288 76 L C 0.237 177.232 176.870 0.209 0.000 1.046 76 L CA -0.837 54.132 54.840 0.216 0.000 0.805 76 L CB 1.406 43.607 42.059 0.238 0.000 1.193 76 L HN 0.684 nan 8.230 nan 0.000 0.426 77 G N 3.265 112.264 108.800 0.332 0.000 3.005 77 G HA2 0.295 4.268 3.960 0.023 0.000 0.342 77 G HA3 0.295 4.268 3.960 0.023 0.000 0.342 77 G C -0.398 174.668 174.900 0.277 0.000 1.101 77 G CA -0.446 44.848 45.100 0.323 0.000 1.225 77 G HN 0.609 nan 8.290 nan 0.000 0.462 78 K N -0.359 120.159 120.400 0.197 0.000 6.744 78 K HA -0.156 4.177 4.320 0.023 0.000 0.720 78 K C 0.486 177.198 176.600 0.186 0.000 2.325 78 K CA 0.787 57.184 56.287 0.183 0.000 1.691 78 K CB -0.948 31.666 32.500 0.190 0.000 1.863 78 K HN 1.058 nan 8.250 nan 0.000 0.302 79 A N 4.301 127.206 122.820 0.141 0.000 2.484 79 A HA 0.319 4.653 4.320 0.023 0.000 0.268 79 A C 0.357 177.970 177.584 0.049 0.000 1.114 79 A CA 0.485 52.562 52.037 0.066 0.000 0.780 79 A CB 0.136 19.147 19.000 0.019 0.000 1.061 79 A HN 0.450 nan 8.150 nan 0.000 0.505 80 T N 3.076 117.663 114.554 0.056 0.000 2.855 80 T HA 0.606 4.969 4.350 0.023 0.000 0.281 80 T C -0.449 174.182 174.700 -0.114 0.000 1.007 80 T CA -0.016 62.134 62.100 0.084 0.000 1.009 80 T CB 0.607 69.574 68.868 0.164 0.000 0.983 80 T HN 0.354 nan 8.240 nan 0.000 0.455 81 F N 1.108 121.089 119.950 0.052 0.000 2.408 81 F HA 0.521 5.062 4.527 0.022 0.000 0.325 81 F C 0.274 176.052 175.800 -0.036 0.000 1.082 81 F CA -1.430 56.595 58.000 0.043 0.000 1.032 81 F CB 0.499 39.530 39.000 0.050 0.000 1.259 81 F HN 0.218 nan 8.300 nan 0.000 0.503 82 L N 2.168 123.474 121.223 0.139 0.000 2.462 82 L HA 0.117 4.471 4.340 0.023 0.000 0.272 82 L C 0.065 176.970 176.870 0.058 0.000 1.166 82 L CA 0.280 55.129 54.840 0.015 0.000 0.880 82 L CB -0.279 41.717 42.059 -0.104 0.000 1.142 82 L HN 0.423 nan 8.230 nan 0.000 0.473 83 E N 3.781 123.998 120.200 0.029 0.000 2.255 83 E HA 0.526 4.890 4.350 0.023 0.000 0.245 83 E C -0.135 176.499 176.600 0.057 0.000 0.909 83 E CA 0.043 56.465 56.400 0.036 0.000 0.747 83 E CB 0.938 30.634 29.700 -0.007 0.000 1.215 83 E HN 0.718 nan 8.360 nan 0.000 0.424 84 G N 3.606 112.469 108.800 0.105 0.000 2.716 84 G HA2 -0.216 3.757 3.960 0.023 0.000 0.686 84 G HA3 -0.216 3.757 3.960 0.023 0.000 0.686 84 G C -0.442 174.523 174.900 0.108 0.000 1.337 84 G CA -0.372 44.782 45.100 0.090 0.000 0.829 84 G HN 0.470 nan 8.290 nan 0.000 0.599 85 I N 0.950 121.514 120.570 -0.010 0.000 2.428 85 I HA 0.484 4.667 4.170 0.023 0.000 0.296 85 I C 0.831 176.819 176.117 -0.215 0.000 0.985 85 I CA -0.808 60.347 61.300 -0.242 0.000 1.260 85 I CB 1.601 39.454 38.000 -0.245 0.000 1.389 85 I HN 0.413 nan 8.210 nan 0.000 0.484 86 I N 5.211 125.601 120.570 -0.300 0.000 2.307 86 I HA 0.126 4.309 4.170 0.023 0.000 0.289 86 I C 1.151 177.146 176.117 -0.204 0.000 1.021 86 I CA -0.074 61.109 61.300 -0.196 0.000 1.224 86 I CB 1.353 39.253 38.000 -0.167 0.000 1.376 86 I HN 0.722 nan 8.210 nan 0.000 0.470 87 T N 2.942 117.410 114.554 -0.143 0.000 2.684 87 T HA -0.162 4.201 4.350 0.023 0.000 0.267 87 T C 1.624 176.262 174.700 -0.104 0.000 1.036 87 T CA 1.996 64.024 62.100 -0.119 0.000 1.148 87 T CB 0.138 68.958 68.868 -0.081 0.000 0.863 87 T HN 0.628 nan 8.240 nan 0.000 0.436 88 S N -1.509 114.139 115.700 -0.087 0.000 3.214 88 S HA 0.515 4.999 4.470 0.023 0.000 0.182 88 S C -0.836 173.724 174.600 -0.066 0.000 0.728 88 S CA -0.308 57.850 58.200 -0.069 0.000 0.814 88 S CB -0.169 63.001 63.200 -0.050 0.000 0.859 88 S HN 0.254 nan 8.310 nan 0.000 0.647 89 L N 1.194 122.384 121.223 -0.055 0.000 1.096 89 L HA -0.066 4.287 4.340 0.023 0.000 0.399 89 L C -2.395 174.454 176.870 -0.034 0.000 1.003 89 L CA 0.060 54.872 54.840 -0.046 0.000 1.217 89 L CB -0.787 41.240 42.059 -0.053 0.000 0.817 89 L HN 0.273 nan 8.230 nan 0.000 0.447 90 P HA -0.122 nan 4.420 nan 0.000 0.217 90 P C 0.931 178.220 177.300 -0.018 0.000 1.148 90 P CA 1.930 65.017 63.100 -0.022 0.000 0.834 90 P CB 0.130 31.817 31.700 -0.021 0.000 0.783 91 T N -1.491 113.053 114.554 -0.017 0.000 3.293 91 T HA 0.171 4.535 4.350 0.023 0.000 0.276 91 T C 1.077 175.774 174.700 -0.005 0.000 1.003 91 T CA -0.406 61.689 62.100 -0.008 0.000 0.916 91 T CB -0.730 68.133 68.868 -0.008 0.000 1.134 91 T HN -0.206 nan 8.240 nan 0.000 0.530 92 L N 1.802 123.016 121.223 -0.015 0.000 1.961 92 L HA 0.241 4.595 4.340 0.023 0.000 0.210 92 L C 1.368 178.235 176.870 -0.005 0.000 1.072 92 L CA 2.686 57.514 54.840 -0.020 0.000 0.749 92 L CB -1.515 40.520 42.059 -0.040 0.000 0.889 92 L HN 0.657 nan 8.230 nan 0.000 0.432 93 G N -1.295 107.504 108.800 -0.003 0.000 2.785 93 G HA2 -0.133 3.841 3.960 0.023 0.000 0.685 93 G HA3 -0.133 3.841 3.960 0.023 0.000 0.685 93 G C 0.065 174.971 174.900 0.010 0.000 1.480 93 G CA -0.171 44.935 45.100 0.009 0.000 0.915 93 G HN 0.939 nan 8.290 nan 0.000 0.576 94 A N 0.486 123.317 122.820 0.017 0.000 2.567 94 A HA 0.622 4.955 4.320 0.023 0.000 0.240 94 A C 2.192 179.793 177.584 0.029 0.000 1.053 94 A CA 2.235 54.285 52.037 0.021 0.000 0.755 94 A CB -0.196 18.820 19.000 0.027 0.000 0.978 94 A HN 2.988 nan 8.150 nan 0.000 0.507 95 G N 1.309 110.126 108.800 0.028 0.000 2.212 95 G HA2 -0.260 3.714 3.960 0.023 0.000 0.266 95 G HA3 -0.260 3.714 3.960 0.023 0.000 0.266 95 G C 0.237 175.157 174.900 0.032 0.000 0.978 95 G CA 0.825 45.948 45.100 0.039 0.000 0.632 95 G HN 0.995 nan 8.290 nan 0.000 0.537 96 Q N 0.245 120.053 119.800 0.013 0.000 2.230 96 Q HA 0.653 5.007 4.340 0.023 0.000 0.248 96 Q C -0.578 175.384 176.000 -0.063 0.000 0.915 96 Q CA -0.122 55.677 55.803 -0.006 0.000 0.900 96 Q CB 1.677 30.418 28.738 0.004 0.000 1.229 96 Q HN 0.197 nan 8.270 nan 0.000 0.439 97 S N 0.896 116.534 115.700 -0.103 0.000 2.605 97 S HA 0.633 5.116 4.470 0.023 0.000 0.308 97 S C -1.030 173.377 174.600 -0.321 0.000 1.113 97 S CA -0.726 57.329 58.200 -0.243 0.000 1.049 97 S CB 1.606 64.661 63.200 -0.241 0.000 1.001 97 S HN 0.680 nan 8.310 nan 0.000 0.480 98 A N 2.755 125.312 122.820 -0.439 0.000 2.295 98 A HA 0.926 5.260 4.320 0.023 0.000 0.318 98 A C -1.058 176.104 177.584 -0.703 0.000 1.134 98 A CA -0.401 51.422 52.037 -0.356 0.000 0.827 98 A CB 0.341 19.215 19.000 -0.210 0.000 1.136 98 A HN 0.662 nan 8.150 nan 0.000 0.493 99 F N 0.173 120.025 119.950 -0.164 0.000 2.591 99 F HA 0.420 4.961 4.527 0.022 0.000 0.309 99 F C 0.220 175.938 175.800 -0.136 0.000 1.098 99 F CA -0.631 57.277 58.000 -0.154 0.000 0.937 99 F CB 2.415 41.301 39.000 -0.189 0.000 1.250 99 F HN 0.570 nan 8.300 nan 0.000 0.447 100 K N 2.788 123.214 120.400 0.043 0.000 2.098 100 K HA 0.840 5.174 4.320 0.023 0.000 0.258 100 K C -1.187 175.364 176.600 -0.081 0.000 0.973 100 K CA -0.826 55.439 56.287 -0.037 0.000 0.898 100 K CB 2.671 35.140 32.500 -0.052 0.000 1.057 100 K HN 0.734 nan 8.250 nan 0.000 0.447 101 I N 1.301 121.751 120.570 -0.199 0.000 2.724 101 I HA 0.133 4.317 4.170 0.023 0.000 0.284 101 I C -1.972 173.765 176.117 -0.634 0.000 1.388 101 I CA -0.396 60.667 61.300 -0.396 0.000 1.081 101 I CB 1.499 39.221 38.000 -0.463 0.000 1.368 101 I HN 0.747 nan 8.210 nan 0.000 0.429 102 N N 6.762 125.158 118.700 -0.507 0.000 2.430 102 N HA 0.616 5.370 4.740 0.023 0.000 0.292 102 N C -1.601 173.627 175.510 -0.471 0.000 1.051 102 N CA -0.468 52.341 53.050 -0.402 0.000 0.917 102 N CB 1.283 39.666 38.487 -0.173 0.000 1.164 102 N HN 0.235 nan 8.380 nan 0.000 0.484 103 F N 0.464 120.409 119.950 -0.008 0.000 2.480 103 F HA 0.269 4.809 4.527 0.022 0.000 0.329 103 F C 0.623 176.496 175.800 0.121 0.000 1.091 103 F CA -0.949 57.075 58.000 0.039 0.000 0.972 103 F CB 1.302 40.294 39.000 -0.013 0.000 1.150 103 F HN 0.335 nan 8.300 nan 0.000 0.467 104 E N 3.394 123.803 120.200 0.349 0.000 2.104 104 E HA 0.040 4.404 4.350 0.023 0.000 0.278 104 E C -1.448 175.410 176.600 0.431 0.000 1.127 104 E CA 0.151 56.722 56.400 0.286 0.000 0.897 104 E CB 0.354 30.177 29.700 0.204 0.000 1.043 104 E HN 0.531 nan 8.360 nan 0.000 0.410 105 W N 4.900 126.281 121.300 0.135 0.000 2.957 105 W HA 0.243 4.917 4.660 0.023 0.000 0.336 105 W C -1.135 175.462 176.519 0.130 0.000 1.087 105 W CA -0.828 56.593 57.345 0.127 0.000 1.235 105 W CB 1.488 31.033 29.460 0.142 0.000 1.399 105 W HN 0.433 nan 8.180 nan 0.000 0.480 106 D N 2.031 122.363 120.400 -0.113 0.000 2.387 106 D HA 0.002 4.656 4.640 0.023 0.000 0.251 106 D C 0.594 176.861 176.300 -0.054 0.000 1.141 106 D CA -0.008 53.956 54.000 -0.060 0.000 0.987 106 D CB 1.330 42.056 40.800 -0.124 0.000 1.116 106 D HN 0.426 nan 8.370 nan 0.000 0.491 107 D N -0.159 120.249 120.400 0.014 0.000 2.178 107 D HA -0.049 4.605 4.640 0.023 0.000 0.202 107 D C 1.571 177.861 176.300 -0.017 0.000 0.974 107 D CA 0.779 54.798 54.000 0.032 0.000 0.841 107 D CB -0.026 40.793 40.800 0.032 0.000 0.953 107 D HN 0.474 nan 8.370 nan 0.000 0.478 108 G N -1.148 107.609 108.800 -0.071 0.000 3.383 108 G HA2 0.055 4.029 3.960 0.023 0.000 0.251 108 G HA3 0.055 4.029 3.960 0.023 0.000 0.251 108 G C 0.983 175.784 174.900 -0.164 0.000 1.203 108 G CA -0.136 44.913 45.100 -0.085 0.000 0.852 108 G HN 0.093 nan 8.290 nan 0.000 0.531 109 S N -0.213 115.305 115.700 -0.303 0.000 2.556 109 S HA 0.449 4.932 4.470 0.023 0.000 0.216 109 S C 1.440 175.920 174.600 -0.201 0.000 0.970 109 S CA 0.423 58.293 58.200 -0.550 0.000 0.912 109 S CB 0.364 62.656 63.200 -1.513 0.000 0.790 109 S HN 1.137 nan 8.310 nan 0.000 0.504 110 G N 1.933 110.759 108.800 0.043 0.000 2.681 110 G HA2 -0.186 3.788 3.960 0.023 0.000 0.220 110 G HA3 -0.186 3.788 3.960 0.023 0.000 0.220 110 G C -0.763 174.397 174.900 0.434 0.000 1.353 110 G CA -0.686 44.533 45.100 0.199 0.000 0.872 110 G HN 0.216 nan 8.290 nan 0.000 0.557 111 I N 1.830 122.583 120.570 0.306 0.000 2.336 111 I HA 0.380 4.564 4.170 0.023 0.000 0.292 111 I C -1.951 174.313 176.117 0.246 0.000 0.991 111 I CA -2.272 59.191 61.300 0.271 0.000 1.227 111 I CB 1.058 39.140 38.000 0.136 0.000 1.366 111 I HN 0.180 nan 8.210 nan 0.000 0.466 112 P HA 0.234 nan 4.420 nan 0.000 0.271 112 P C 0.630 178.003 177.300 0.122 0.000 1.218 112 P CA 0.107 63.208 63.100 0.002 0.000 0.780 112 P CB 0.894 32.428 31.700 -0.277 0.000 0.901 113 G N 0.018 108.909 108.800 0.152 0.000 3.430 113 G HA2 0.537 4.511 3.960 0.023 0.000 0.222 113 G HA3 0.537 4.511 3.960 0.023 0.000 0.222 113 G C -0.193 174.855 174.900 0.247 0.000 1.102 113 G CA 0.556 45.758 45.100 0.171 0.000 0.927 113 G HN 0.768 nan 8.290 nan 0.000 0.597 114 A N -0.303 122.655 122.820 0.228 0.000 2.586 114 A HA 0.810 5.143 4.320 0.023 0.000 0.291 114 A C -1.677 175.846 177.584 -0.101 0.000 1.062 114 A CA -0.702 51.361 52.037 0.044 0.000 0.666 114 A CB 0.861 19.582 19.000 -0.464 0.000 1.281 114 A HN 1.257 nan 8.150 nan 0.000 0.421 115 F N -1.598 118.072 119.950 -0.467 0.000 2.645 115 F HA 0.873 5.413 4.527 0.022 0.000 0.310 115 F C -1.855 173.679 175.800 -0.444 0.000 1.102 115 F CA -1.171 56.524 58.000 -0.508 0.000 0.952 115 F CB 0.878 39.530 39.000 -0.580 0.000 1.326 115 F HN 0.518 nan 8.300 nan 0.000 0.456 116 Y N 2.443 122.691 120.300 -0.087 0.000 2.457 116 Y HA 0.735 5.299 4.550 0.022 0.000 0.333 116 Y C -0.380 175.565 175.900 0.076 0.000 1.119 116 Y CA -1.559 56.464 58.100 -0.128 0.000 1.143 116 Y CB 1.973 40.380 38.460 -0.088 0.000 1.230 116 Y HN 0.817 nan 8.280 nan 0.000 0.469 117 I N 2.161 122.861 120.570 0.217 0.000 2.619 117 I HA 0.457 4.641 4.170 0.023 0.000 0.292 117 I C -1.628 174.498 176.117 0.014 0.000 1.100 117 I CA -0.774 60.636 61.300 0.182 0.000 1.043 117 I CB 1.597 39.775 38.000 0.296 0.000 1.239 117 I HN 0.539 nan 8.210 nan 0.000 0.420 118 K N 4.796 125.141 120.400 -0.092 0.000 2.345 118 K HA 0.351 4.684 4.320 0.023 0.000 0.255 118 K C -1.166 175.178 176.600 -0.426 0.000 0.934 118 K CA -0.818 55.255 56.287 -0.357 0.000 0.801 118 K CB 1.697 33.835 32.500 -0.603 0.000 1.137 118 K HN 0.431 nan 8.250 nan 0.000 0.424 119 N N 2.883 121.366 118.700 -0.362 0.000 2.511 119 N HA 0.226 4.979 4.740 0.023 0.000 0.249 119 N C -0.819 174.568 175.510 -0.204 0.000 0.971 119 N CA -0.488 52.486 53.050 -0.128 0.000 0.938 119 N CB 0.358 38.838 38.487 -0.011 0.000 1.131 119 N HN 0.386 nan 8.380 nan 0.000 0.505 120 F N 2.003 122.044 119.950 0.151 0.000 2.660 120 F HA 0.296 4.837 4.527 0.023 0.000 0.302 120 F C 1.638 177.476 175.800 0.063 0.000 1.103 120 F CA 0.036 58.099 58.000 0.105 0.000 1.340 120 F CB 0.001 39.077 39.000 0.127 0.000 1.048 120 F HN 0.447 nan 8.300 nan 0.000 0.551 121 M N -0.609 119.099 119.600 0.181 0.000 2.558 121 M HA -0.041 4.453 4.480 0.023 0.000 0.255 121 M C 0.705 177.029 176.300 0.041 0.000 1.113 121 M CA 0.651 56.000 55.300 0.081 0.000 1.097 121 M CB -0.003 32.607 32.600 0.016 0.000 1.426 121 M HN 0.104 nan 8.290 nan 0.000 0.488 122 Q N 0.402 120.229 119.800 0.045 0.000 2.481 122 Q HA -0.144 4.209 4.340 0.023 0.000 0.258 122 Q C -0.767 175.233 176.000 0.000 0.000 0.961 122 Q CA 1.062 56.873 55.803 0.014 0.000 1.121 122 Q CB -2.009 26.735 28.738 0.011 0.000 1.503 122 Q HN 0.456 nan 8.270 nan 0.000 0.544 123 T N 1.014 115.570 114.554 0.003 0.000 3.842 123 T HA 0.139 4.503 4.350 0.023 0.000 0.336 123 T C -0.438 174.274 174.700 0.021 0.000 0.900 123 T CA -0.785 61.316 62.100 0.001 0.000 1.022 123 T CB 1.355 70.237 68.868 0.023 0.000 1.068 123 T HN 0.232 nan 8.240 nan 0.000 0.464 124 E N 3.750 123.867 120.200 -0.138 0.000 2.436 124 E HA 0.287 4.651 4.350 0.023 0.000 0.262 124 E C -0.688 176.038 176.600 0.210 0.000 1.063 124 E CA -0.124 56.153 56.400 -0.205 0.000 0.944 124 E CB 0.492 29.689 29.700 -0.838 0.000 0.950 124 E HN 0.515 nan 8.360 nan 0.000 0.444 125 F N -0.647 119.455 119.950 0.255 0.000 2.629 125 F HA 0.612 5.152 4.527 0.022 0.000 0.316 125 F C -1.303 174.530 175.800 0.055 0.000 1.081 125 F CA -2.002 56.150 58.000 0.252 0.000 0.954 125 F CB 0.899 40.060 39.000 0.270 0.000 1.337 125 F HN 0.279 nan 8.300 nan 0.000 0.474 126 F N 3.889 123.695 119.950 -0.240 0.000 2.350 126 F HA 0.544 5.086 4.527 0.025 0.000 0.365 126 F C -0.623 175.098 175.800 -0.131 0.000 1.122 126 F CA -1.117 56.478 58.000 -0.675 0.000 1.139 126 F CB 0.744 39.057 39.000 -1.145 0.000 1.220 126 F HN 0.596 nan 8.300 nan 0.000 0.499 127 L N 7.474 128.457 121.223 -0.399 0.000 2.410 127 L HA 0.232 4.586 4.340 0.023 0.000 0.273 127 L C 0.012 176.519 176.870 -0.605 0.000 1.144 127 L CA 0.386 55.064 54.840 -0.271 0.000 0.863 127 L CB 1.013 42.909 42.059 -0.272 0.000 1.140 127 L HN 0.632 nan 8.230 nan 0.000 0.463 128 V N 2.776 122.496 119.914 -0.322 0.000 2.484 128 V HA 0.307 4.441 4.120 0.023 0.000 0.236 128 V C 0.766 176.759 176.094 -0.167 0.000 1.062 128 V CA 1.114 63.272 62.300 -0.237 0.000 1.081 128 V CB -0.045 31.764 31.823 -0.023 0.000 0.751 128 V HN 0.931 nan 8.190 nan 0.000 0.484 129 S N -0.628 114.999 115.700 -0.121 0.000 2.643 129 S HA 0.763 5.247 4.470 0.023 0.000 0.270 129 S C -1.561 172.956 174.600 -0.139 0.000 1.166 129 S CA -0.641 57.485 58.200 -0.123 0.000 0.815 129 S CB 2.406 65.589 63.200 -0.029 0.000 1.139 129 S HN 0.300 nan 8.310 nan 0.000 0.472 130 L N 0.558 121.676 121.223 -0.174 0.000 2.493 130 L HA 0.788 5.141 4.340 0.023 0.000 0.265 130 L C -1.317 175.544 176.870 -0.015 0.000 0.954 130 L CA 0.244 54.962 54.840 -0.203 0.000 0.844 130 L CB 2.108 43.803 42.059 -0.607 0.000 1.302 130 L HN 0.968 nan 8.230 nan 0.000 0.405 131 T N 5.555 120.152 114.554 0.071 0.000 2.841 131 T HA 0.692 5.055 4.350 0.023 0.000 0.283 131 T C -0.757 174.011 174.700 0.112 0.000 1.000 131 T CA -0.427 61.799 62.100 0.210 0.000 0.977 131 T CB 1.413 70.425 68.868 0.239 0.000 0.979 131 T HN 0.477 nan 8.240 nan 0.000 0.446 132 L N 2.455 123.756 121.223 0.130 0.000 2.362 132 L HA 0.491 4.845 4.340 0.023 0.000 0.275 132 L C 0.153 177.047 176.870 0.040 0.000 0.998 132 L CA -0.743 54.142 54.840 0.074 0.000 0.820 132 L CB 2.038 44.135 42.059 0.064 0.000 1.270 132 L HN 0.654 nan 8.230 nan 0.000 0.415 133 E N 2.018 122.241 120.200 0.040 0.000 2.373 133 E HA 0.118 4.481 4.350 0.023 0.000 0.233 133 E C -0.590 176.038 176.600 0.045 0.000 1.035 133 E CA -0.471 55.946 56.400 0.028 0.000 0.930 133 E CB 0.739 30.458 29.700 0.033 0.000 1.278 133 E HN 0.470 nan 8.360 nan 0.000 0.452 134 D N 1.056 121.461 120.400 0.009 0.000 2.045 134 D HA -0.174 4.480 4.640 0.023 0.000 0.229 134 D C 0.844 177.159 176.300 0.025 0.000 1.406 134 D CA 1.112 55.121 54.000 0.016 0.000 0.910 134 D CB 0.635 41.420 40.800 -0.025 0.000 1.473 134 D HN 0.271 nan 8.370 nan 0.000 0.554 135 I N -1.569 118.998 120.570 -0.005 0.000 3.818 135 I HA 0.221 4.405 4.170 0.023 0.000 0.242 135 I C -1.339 174.730 176.117 -0.079 0.000 1.111 135 I CA -0.583 60.621 61.300 -0.160 0.000 1.576 135 I CB -1.394 36.455 38.000 -0.251 0.000 1.572 135 I HN 0.285 nan 8.210 nan 0.000 0.450 136 P HA 0.083 nan 4.420 nan 0.000 0.285 136 P C 0.031 177.362 177.300 0.051 0.000 1.282 136 P CA -0.041 63.076 63.100 0.028 0.000 0.778 136 P CB 0.170 31.908 31.700 0.063 0.000 1.222 137 N N -1.294 117.439 118.700 0.055 0.000 2.651 137 N HA -0.154 4.600 4.740 0.023 0.000 0.193 137 N C 0.273 175.851 175.510 0.112 0.000 1.149 137 N CA 0.534 53.620 53.050 0.060 0.000 0.933 137 N CB -0.466 38.048 38.487 0.045 0.000 0.974 137 N HN 0.432 nan 8.380 nan 0.000 0.448 138 H N 0.453 119.527 119.070 0.006 0.000 2.646 138 H HA 0.314 4.884 4.556 0.023 0.000 0.325 138 H C 0.767 176.098 175.328 0.005 0.000 1.075 138 H CA -0.334 55.719 56.048 0.009 0.000 1.421 138 H CB 0.552 30.326 29.762 0.020 0.000 1.461 138 H HN 0.034 nan 8.280 nan 0.000 0.525 139 G N 2.416 111.055 108.800 -0.269 0.000 2.570 139 G HA2 0.122 4.096 3.960 0.023 0.000 0.276 139 G HA3 0.122 4.096 3.960 0.023 0.000 0.276 139 G C -0.422 174.261 174.900 -0.362 0.000 1.346 139 G CA -0.556 44.387 45.100 -0.263 0.000 1.034 139 G HN 0.681 nan 8.290 nan 0.000 0.512 140 S N -0.564 115.019 115.700 -0.195 0.000 2.533 140 S HA 0.211 4.694 4.470 0.023 0.000 0.282 140 S C 0.291 174.806 174.600 -0.142 0.000 1.304 140 S CA 0.000 58.123 58.200 -0.129 0.000 1.063 140 S CB 0.340 63.504 63.200 -0.061 0.000 0.881 140 S HN 0.329 nan 8.310 nan 0.000 0.493 141 I N 2.909 123.425 120.570 -0.090 0.000 2.385 141 I HA 0.312 4.496 4.170 0.023 0.000 0.294 141 I C -0.027 176.114 176.117 0.040 0.000 0.988 141 I CA -0.525 60.724 61.300 -0.085 0.000 1.265 141 I CB 1.077 39.025 38.000 -0.085 0.000 1.388 141 I HN 0.584 nan 8.210 nan 0.000 0.480 142 H N 5.496 124.467 119.070 -0.165 0.000 2.495 142 H HA 0.548 5.117 4.556 0.022 0.000 0.348 142 H C -1.589 173.645 175.328 -0.157 0.000 1.113 142 H CA -0.641 55.378 56.048 -0.047 0.000 1.195 142 H CB 1.195 30.940 29.762 -0.028 0.000 1.521 142 H HN 0.259 nan 8.280 nan 0.000 0.509 143 F N 4.294 123.970 119.950 -0.457 0.000 2.403 143 F HA 0.330 4.870 4.527 0.022 0.000 0.355 143 F C -0.533 175.054 175.800 -0.354 0.000 1.119 143 F CA -0.851 57.017 58.000 -0.219 0.000 1.007 143 F CB 1.263 40.283 39.000 0.032 0.000 1.194 143 F HN 0.215 nan 8.300 nan 0.000 0.443 144 V N 3.587 123.486 119.914 -0.026 0.000 2.385 144 V HA 0.106 4.239 4.120 0.023 0.000 0.269 144 V C 0.247 176.375 176.094 0.057 0.000 1.043 144 V CA -0.214 62.098 62.300 0.020 0.000 0.906 144 V CB 0.580 32.495 31.823 0.153 0.000 0.995 144 V HN 1.066 nan 8.190 nan 0.000 0.467 145 C N 2.449 121.708 119.300 -0.069 0.000 2.664 145 C HA 0.148 4.621 4.460 0.023 0.000 0.285 145 C C 1.243 176.150 174.990 -0.139 0.000 1.386 145 C CA -0.408 58.495 59.018 -0.192 0.000 1.753 145 C CB -0.657 26.682 27.740 -0.669 0.000 2.115 145 C HN 0.933 nan 8.230 nan 0.000 0.577 146 N N 1.595 120.099 118.700 -0.327 0.000 2.688 146 N HA -0.154 4.600 4.740 0.023 0.000 0.258 146 N C -0.479 174.775 175.510 -0.427 0.000 1.016 146 N CA 1.267 54.047 53.050 -0.450 0.000 0.747 146 N CB -0.824 37.747 38.487 0.140 0.000 0.895 146 N HN 0.666 nan 8.380 nan 0.000 0.543 147 S N -0.904 114.360 115.700 -0.727 0.000 2.556 147 S HA 0.601 5.084 4.470 0.023 0.000 0.271 147 S C -1.205 173.239 174.600 -0.259 0.000 1.135 147 S CA -0.808 57.280 58.200 -0.187 0.000 0.858 147 S CB 0.853 64.165 63.200 0.187 0.000 1.114 147 S HN 0.291 nan 8.310 nan 0.000 0.468 148 W N 3.598 124.988 121.300 0.150 0.000 2.311 148 W HA 0.482 5.154 4.660 0.021 0.000 0.310 148 W C -0.126 176.429 176.519 0.059 0.000 1.274 148 W CA -0.673 56.771 57.345 0.164 0.000 1.215 148 W CB 0.653 30.315 29.460 0.337 0.000 1.227 148 W HN 0.348 nan 8.180 nan 0.000 0.523 149 I N 5.312 125.847 120.570 -0.059 0.000 2.330 149 I HA 0.172 4.356 4.170 0.023 0.000 0.286 149 I C -0.427 175.596 176.117 -0.156 0.000 1.025 149 I CA -1.651 59.514 61.300 -0.225 0.000 1.197 149 I CB -0.629 36.924 38.000 -0.744 0.000 1.358 149 I HN 0.339 nan 8.210 nan 0.000 0.467 150 Y N 3.878 124.250 120.300 0.120 0.000 2.392 150 Y HA 0.211 4.774 4.550 0.022 0.000 0.323 150 Y C 1.377 177.379 175.900 0.170 0.000 1.291 150 Y CA -0.220 58.005 58.100 0.210 0.000 1.345 150 Y CB 0.512 39.188 38.460 0.360 0.000 1.320 150 Y HN 0.505 nan 8.280 nan 0.000 0.518 151 N N 0.942 119.747 118.700 0.175 0.000 2.225 151 N HA -0.136 4.617 4.740 0.023 0.000 0.257 151 N C 0.741 176.303 175.510 0.087 0.000 1.252 151 N CA 0.647 53.732 53.050 0.058 0.000 0.833 151 N CB 0.905 39.381 38.487 -0.020 0.000 1.068 151 N HN 0.909 nan 8.380 nan 0.000 0.468 152 A N 4.724 127.545 122.820 0.001 0.000 2.024 152 A HA -0.201 4.133 4.320 0.023 0.000 0.220 152 A C 1.928 179.540 177.584 0.047 0.000 1.164 152 A CA 1.705 53.739 52.037 -0.004 0.000 0.643 152 A CB -0.310 18.524 19.000 -0.277 0.000 0.806 152 A HN 0.895 nan 8.150 nan 0.000 0.451 153 K N -0.296 120.102 120.400 -0.004 0.000 2.418 153 K HA 0.164 4.497 4.320 0.023 0.000 0.195 153 K C 1.207 177.712 176.600 -0.158 0.000 1.035 153 K CA 0.711 56.975 56.287 -0.038 0.000 1.003 153 K CB -0.284 32.202 32.500 -0.023 0.000 0.793 153 K HN 0.448 nan 8.250 nan 0.000 0.494 154 L N 0.073 121.092 121.223 -0.340 0.000 2.554 154 L HA 0.097 4.451 4.340 0.023 0.000 0.226 154 L C 1.180 177.632 176.870 -0.698 0.000 1.137 154 L CA 0.385 54.792 54.840 -0.722 0.000 0.863 154 L CB -0.157 41.105 42.059 -1.327 0.000 0.985 154 L HN 0.060 nan 8.230 nan 0.000 0.451 155 F N -0.690 119.237 119.950 -0.038 0.000 2.500 155 F HA 0.070 4.611 4.527 0.022 0.000 0.285 155 F C 1.947 177.764 175.800 0.027 0.000 1.088 155 F CA 0.260 58.278 58.000 0.031 0.000 1.432 155 F CB 0.130 39.143 39.000 0.022 0.000 1.131 155 F HN -0.060 nan 8.300 nan 0.000 0.582 156 K N -0.518 119.971 120.400 0.148 0.000 3.575 156 K HA -0.302 4.031 4.320 0.023 0.000 0.272 156 K C 1.014 177.661 176.600 0.078 0.000 1.019 156 K CA 1.694 58.035 56.287 0.089 0.000 1.123 156 K CB -1.905 30.640 32.500 0.074 0.000 1.364 156 K HN 0.306 nan 8.250 nan 0.000 0.482 157 S N 0.369 116.133 115.700 0.107 0.000 2.539 157 S HA 0.153 4.636 4.470 0.023 0.000 0.226 157 S C -0.972 173.605 174.600 -0.038 0.000 1.054 157 S CA 0.752 58.982 58.200 0.050 0.000 0.910 157 S CB 0.158 63.411 63.200 0.089 0.000 0.818 157 S HN 0.469 nan 8.310 nan 0.000 0.490 158 D N 1.563 121.942 120.400 -0.034 0.000 7.414 158 D HA -0.084 4.570 4.640 0.023 0.000 0.249 158 D C -0.776 175.452 176.300 -0.121 0.000 2.075 158 D CA 0.340 54.256 54.000 -0.140 0.000 1.907 158 D CB 0.078 40.668 40.800 -0.351 0.000 0.774 158 D HN 0.171 nan 8.370 nan 0.000 0.482 159 R N 1.827 122.199 120.500 -0.213 0.000 2.583 159 R HA 0.345 4.699 4.340 0.023 0.000 0.274 159 R C 0.462 176.586 176.300 -0.294 0.000 0.998 159 R CA 0.185 56.087 56.100 -0.329 0.000 1.081 159 R CB 0.219 30.326 30.300 -0.321 0.000 0.940 159 R HN 0.599 nan 8.270 nan 0.000 0.413 160 I N 2.869 123.044 120.570 -0.659 0.000 2.608 160 I HA 0.457 4.641 4.170 0.023 0.000 0.295 160 I C -1.338 173.941 176.117 -1.398 0.000 1.049 160 I CA -0.920 59.869 61.300 -0.852 0.000 1.063 160 I CB 1.238 38.846 38.000 -0.654 0.000 1.248 160 I HN 0.326 nan 8.210 nan 0.000 0.424 161 F N 6.139 125.438 119.950 -1.083 0.000 2.556 161 F HA 0.530 5.070 4.527 0.023 0.000 0.314 161 F C -0.790 174.594 175.800 -0.694 0.000 1.106 161 F CA -0.495 56.998 58.000 -0.844 0.000 0.911 161 F CB 1.730 40.208 39.000 -0.870 0.000 1.190 161 F HN 0.144 nan 8.300 nan 0.000 0.448 162 F N 1.431 121.444 119.950 0.105 0.000 2.425 162 F HA 0.738 5.278 4.527 0.022 0.000 0.331 162 F C 0.642 176.477 175.800 0.057 0.000 1.085 162 F CA -0.987 57.072 58.000 0.098 0.000 1.028 162 F CB 1.063 40.060 39.000 -0.006 0.000 1.177 162 F HN 0.589 nan 8.300 nan 0.000 0.487 163 A N 1.741 124.516 122.820 -0.075 0.000 2.310 163 A HA 0.135 4.469 4.320 0.023 0.000 0.260 163 A C 1.407 178.834 177.584 -0.261 0.000 1.112 163 A CA -0.109 51.548 52.037 -0.633 0.000 0.804 163 A CB -0.125 18.310 19.000 -0.941 0.000 1.081 163 A HN 0.988 nan 8.150 nan 0.000 0.499 164 N N -0.823 117.709 118.700 -0.279 0.000 2.096 164 N HA -0.204 4.550 4.740 0.023 0.000 0.195 164 N C -0.111 175.283 175.510 -0.193 0.000 1.017 164 N CA 1.388 54.347 53.050 -0.151 0.000 0.870 164 N CB -0.209 38.209 38.487 -0.115 0.000 1.024 164 N HN 0.646 nan 8.380 nan 0.000 0.434 165 Q N 0.666 120.296 119.800 -0.283 0.000 2.262 165 Q HA -0.011 4.343 4.340 0.023 0.000 0.298 165 Q C -0.190 175.404 176.000 -0.675 0.000 1.083 165 Q CA 0.697 56.206 55.803 -0.490 0.000 0.962 165 Q CB 0.818 29.175 28.738 -0.634 0.000 1.104 165 Q HN 0.038 nan 8.270 nan 0.000 0.376 166 T N 3.245 117.485 114.554 -0.523 0.000 2.743 166 T HA 0.492 4.856 4.350 0.023 0.000 0.293 166 T C -1.256 173.175 174.700 -0.450 0.000 0.945 166 T CA -0.420 61.435 62.100 -0.408 0.000 1.030 166 T CB 0.163 68.889 68.868 -0.237 0.000 0.912 166 T HN 0.353 nan 8.240 nan 0.000 0.483 167 Y N 3.689 123.896 120.300 -0.155 0.000 2.409 167 Y HA 0.498 5.062 4.550 0.023 0.000 0.343 167 Y C 0.480 176.227 175.900 -0.255 0.000 0.973 167 Y CA -1.395 56.607 58.100 -0.163 0.000 1.064 167 Y CB 1.281 39.661 38.460 -0.132 0.000 1.207 167 Y HN 0.525 nan 8.280 nan 0.000 0.452 168 L N 5.332 126.500 121.223 -0.092 0.000 2.476 168 L HA 0.092 4.445 4.340 0.023 0.000 0.264 168 L C -0.946 175.859 176.870 -0.107 0.000 1.224 168 L CA -1.393 53.293 54.840 -0.257 0.000 0.821 168 L CB 0.813 42.746 42.059 -0.210 0.000 1.101 168 L HN 0.500 nan 8.230 nan 0.000 0.488 169 P HA -0.167 nan 4.420 nan 0.000 0.224 169 P C 1.101 178.419 177.300 0.030 0.000 1.138 169 P CA 1.016 64.170 63.100 0.090 0.000 0.780 169 P CB 0.186 31.996 31.700 0.182 0.000 0.755 170 S N 0.043 115.738 115.700 -0.009 0.000 2.440 170 S HA -0.128 4.356 4.470 0.023 0.000 0.238 170 S C 0.983 175.552 174.600 -0.053 0.000 1.010 170 S CA 1.029 59.212 58.200 -0.029 0.000 0.972 170 S CB -0.666 62.505 63.200 -0.049 0.000 0.774 170 S HN 0.374 nan 8.310 nan 0.000 0.501 171 E N -1.161 119.003 120.200 -0.060 0.000 3.628 171 E HA -0.224 4.140 4.350 0.023 0.000 0.309 171 E C 0.737 177.214 176.600 -0.205 0.000 0.839 171 E CA 0.533 56.877 56.400 -0.093 0.000 1.123 171 E CB -2.533 27.130 29.700 -0.061 0.000 1.568 171 E HN 0.449 nan 8.360 nan 0.000 0.440 172 T N -0.934 113.469 114.554 -0.252 0.000 1.843 172 T HA -0.279 4.085 4.350 0.023 0.000 0.104 172 T C -1.797 172.683 174.700 -0.366 0.000 1.817 172 T CA 2.004 63.876 62.100 -0.381 0.000 0.783 172 T CB -2.130 66.435 68.868 -0.505 0.000 0.774 172 T HN 0.175 nan 8.240 nan 0.000 0.404 173 P HA 0.228 nan 4.420 nan 0.000 0.253 173 P C 0.438 177.665 177.300 -0.120 0.000 1.159 173 P CA 0.846 63.790 63.100 -0.260 0.000 0.779 173 P CB 0.092 31.651 31.700 -0.234 0.000 0.745 174 A N 7.028 129.802 122.820 -0.077 0.000 1.892 174 A HA -0.166 4.168 4.320 0.023 0.000 0.218 174 A C -0.336 177.256 177.584 0.013 0.000 1.188 174 A CA 1.844 53.861 52.037 -0.034 0.000 0.631 174 A CB -2.257 16.727 19.000 -0.027 0.000 0.822 174 A HN 0.440 nan 8.150 nan 0.000 0.447 175 P HA -0.056 nan 4.420 nan 0.000 0.225 175 P C 0.998 178.434 177.300 0.227 0.000 1.148 175 P CA 0.607 63.778 63.100 0.118 0.000 0.779 175 P CB 0.086 31.860 31.700 0.123 0.000 0.780 176 L N -1.962 119.368 121.223 0.177 0.000 2.513 176 L HA 0.028 4.382 4.340 0.023 0.000 0.222 176 L C 2.117 179.104 176.870 0.195 0.000 1.096 176 L CA 0.780 55.785 54.840 0.275 0.000 0.857 176 L CB -1.083 41.074 42.059 0.162 0.000 1.026 176 L HN -0.192 nan 8.230 nan 0.000 0.469 177 V N -0.045 119.908 119.914 0.064 0.000 2.252 177 V HA -0.374 3.759 4.120 0.023 0.000 0.249 177 V C 2.395 178.500 176.094 0.017 0.000 1.056 177 V CA 1.905 64.212 62.300 0.011 0.000 1.022 177 V CB -0.498 31.312 31.823 -0.021 0.000 0.641 177 V HN 0.428 nan 8.190 nan 0.000 0.445 178 K N -1.541 118.842 120.400 -0.029 0.000 2.283 178 K HA -0.131 4.203 4.320 0.023 0.000 0.202 178 K C 2.006 178.561 176.600 -0.074 0.000 1.048 178 K CA 1.262 57.492 56.287 -0.095 0.000 0.948 178 K CB -0.204 32.186 32.500 -0.185 0.000 0.742 178 K HN 0.521 nan 8.250 nan 0.000 0.458 179 Y N 0.600 120.963 120.300 0.104 0.000 2.337 179 Y HA -0.059 4.504 4.550 0.023 0.000 0.293 179 Y C 2.433 178.474 175.900 0.235 0.000 1.123 179 Y CA 0.883 59.092 58.100 0.182 0.000 1.201 179 Y CB -0.093 38.504 38.460 0.229 0.000 1.011 179 Y HN -0.011 nan 8.280 nan 0.000 0.545 180 R N 1.163 121.803 120.500 0.235 0.000 2.062 180 R HA -0.154 4.199 4.340 0.023 0.000 0.229 180 R C 1.986 178.309 176.300 0.039 0.000 1.128 180 R CA 1.863 57.965 56.100 0.004 0.000 0.960 180 R CB -0.180 30.034 30.300 -0.143 0.000 0.855 180 R HN 0.554 nan 8.270 nan 0.000 0.432 181 E N -0.239 119.990 120.200 0.048 0.000 2.274 181 E HA -0.192 4.171 4.350 0.023 0.000 0.194 181 E C 1.680 178.331 176.600 0.085 0.000 0.996 181 E CA 0.910 57.340 56.400 0.051 0.000 0.840 181 E CB -0.123 29.593 29.700 0.026 0.000 0.772 181 E HN 0.507 nan 8.360 nan 0.000 0.491 182 E N 1.301 121.560 120.200 0.098 0.000 2.047 182 E HA -0.194 4.170 4.350 0.023 0.000 0.191 182 E C 2.183 178.893 176.600 0.184 0.000 0.987 182 E CA 0.817 57.295 56.400 0.130 0.000 0.799 182 E CB 0.100 29.866 29.700 0.111 0.000 0.752 182 E HN 0.210 nan 8.360 nan 0.000 0.449 183 E N 0.284 120.587 120.200 0.173 0.000 2.110 183 E HA -0.177 4.186 4.350 0.023 0.000 0.193 183 E C 2.155 178.808 176.600 0.088 0.000 0.988 183 E CA 0.493 56.972 56.400 0.131 0.000 0.804 183 E CB -0.010 29.782 29.700 0.153 0.000 0.745 183 E HN 0.208 nan 8.360 nan 0.000 0.458 184 L N 0.655 121.925 121.223 0.079 0.000 2.042 184 L HA -0.204 4.150 4.340 0.023 0.000 0.210 184 L C 2.379 179.277 176.870 0.045 0.000 1.076 184 L CA 2.035 56.894 54.840 0.032 0.000 0.749 184 L CB -0.996 41.082 42.059 0.032 0.000 0.893 184 L HN 0.262 nan 8.230 nan 0.000 0.432 185 H N -1.116 117.959 119.070 0.009 0.000 2.423 185 H HA -0.089 4.481 4.556 0.023 0.000 0.297 185 H C 2.024 177.365 175.328 0.022 0.000 1.075 185 H CA 2.100 58.155 56.048 0.013 0.000 1.342 185 H CB -0.039 29.738 29.762 0.025 0.000 1.395 185 H HN 0.479 nan 8.280 nan 0.000 0.530 186 N N -0.674 118.015 118.700 -0.018 0.000 2.270 186 N HA -0.086 4.667 4.740 0.023 0.000 0.181 186 N C 1.113 176.601 175.510 -0.036 0.000 1.016 186 N CA 0.474 53.495 53.050 -0.049 0.000 0.870 186 N CB 0.191 38.706 38.487 0.047 0.000 0.979 186 N HN 0.195 nan 8.380 nan 0.000 0.431 187 L N 1.223 122.444 121.223 -0.003 0.000 2.156 187 L HA -0.031 4.323 4.340 0.023 0.000 0.208 187 L C 2.016 178.904 176.870 0.031 0.000 1.095 187 L CA 1.386 56.262 54.840 0.060 0.000 0.770 187 L CB -0.840 41.243 42.059 0.040 0.000 0.914 187 L HN 0.162 nan 8.230 nan 0.000 0.439 188 R N -0.450 120.006 120.500 -0.073 0.000 2.093 188 R HA 0.056 4.410 4.340 0.023 0.000 0.224 188 R C 1.421 177.662 176.300 -0.099 0.000 1.101 188 R CA 0.717 56.763 56.100 -0.090 0.000 0.979 188 R CB -0.421 29.812 30.300 -0.113 0.000 0.877 188 R HN 0.403 nan 8.270 nan 0.000 0.441 189 G N 2.788 111.485 108.800 -0.172 0.000 2.361 189 G HA2 -0.383 3.591 3.960 0.023 0.000 0.294 189 G HA3 -0.383 3.591 3.960 0.023 0.000 0.294 189 G C -0.240 174.586 174.900 -0.124 0.000 1.004 189 G CA 0.968 45.968 45.100 -0.167 0.000 0.870 189 G HN 0.584 nan 8.290 nan 0.000 0.510 190 D N -2.844 117.494 120.400 -0.104 0.000 5.703 190 D HA 0.103 4.757 4.640 0.023 0.000 0.317 190 D C 1.085 177.357 176.300 -0.046 0.000 2.508 190 D CA 2.439 56.408 54.000 -0.051 0.000 1.333 190 D CB -1.064 39.709 40.800 -0.044 0.000 1.145 190 D HN 1.177 nan 8.370 nan 0.000 1.293 191 G N -0.592 108.190 108.800 -0.030 0.000 4.144 191 G HA2 0.522 4.495 3.960 0.023 0.000 0.297 191 G HA3 0.522 4.495 3.960 0.023 0.000 0.297 191 G C 0.028 174.902 174.900 -0.043 0.000 1.090 191 G CA 0.606 45.687 45.100 -0.031 0.000 0.870 191 G HN 0.773 nan 8.290 nan 0.000 0.532 192 T N -2.747 111.772 114.554 -0.057 0.000 2.930 192 T HA 0.802 5.166 4.350 0.023 0.000 0.290 192 T C 0.286 174.931 174.700 -0.092 0.000 1.052 192 T CA -0.106 61.957 62.100 -0.062 0.000 1.017 192 T CB 2.405 71.246 68.868 -0.044 0.000 1.137 192 T HN 1.661 nan 8.240 nan 0.000 0.511 193 G N 0.506 109.249 108.800 -0.095 0.000 2.712 193 G HA2 -0.025 3.949 3.960 0.023 0.000 0.686 193 G HA3 -0.025 3.949 3.960 0.023 0.000 0.686 193 G C -0.700 174.097 174.900 -0.172 0.000 1.321 193 G CA -0.404 44.621 45.100 -0.125 0.000 0.813 193 G HN 1.078 nan 8.290 nan 0.000 0.599 194 E N 0.526 120.612 120.200 -0.191 0.000 2.259 194 E HA 0.387 4.750 4.350 0.023 0.000 0.281 194 E C 0.492 176.864 176.600 -0.379 0.000 1.027 194 E CA -0.922 55.334 56.400 -0.240 0.000 0.838 194 E CB 0.423 30.012 29.700 -0.185 0.000 1.066 194 E HN 0.401 nan 8.360 nan 0.000 0.401 195 R N 3.487 123.666 120.500 -0.535 0.000 2.389 195 R HA 0.228 4.582 4.340 0.023 0.000 0.295 195 R C -0.138 175.653 176.300 -0.848 0.000 1.075 195 R CA -0.221 55.320 56.100 -0.932 0.000 1.005 195 R CB 0.507 29.773 30.300 -1.724 0.000 0.987 195 R HN 0.394 nan 8.270 nan 0.000 0.452 196 K N 1.881 121.733 120.400 -0.912 0.000 2.123 196 K HA 0.112 4.445 4.320 0.023 0.000 0.248 196 K C 1.015 177.197 176.600 -0.697 0.000 0.969 196 K CA -0.645 55.135 56.287 -0.844 0.000 0.882 196 K CB 1.487 33.200 32.500 -1.310 0.000 1.080 196 K HN 0.566 nan 8.250 nan 0.000 0.441 197 E N 2.043 121.990 120.200 -0.422 0.000 2.147 197 E HA -0.195 4.169 4.350 0.023 0.000 0.199 197 E C 0.806 177.261 176.600 -0.241 0.000 1.005 197 E CA 1.757 58.058 56.400 -0.165 0.000 0.810 197 E CB 0.104 29.792 29.700 -0.021 0.000 0.736 197 E HN 0.679 nan 8.360 nan 0.000 0.460 198 W N 1.240 122.311 121.300 -0.381 0.000 2.800 198 W HA 0.197 4.870 4.660 0.022 0.000 0.249 198 W C 0.155 176.552 176.519 -0.203 0.000 1.294 198 W CA -0.245 56.687 57.345 -0.690 0.000 1.402 198 W CB -0.648 28.218 29.460 -0.990 0.000 1.126 198 W HN -0.085 nan 8.180 nan 0.000 0.652 199 E N 1.495 121.555 120.200 -0.234 0.000 2.373 199 E HA 0.236 4.600 4.350 0.023 0.000 0.263 199 E C -0.169 176.490 176.600 0.098 0.000 1.073 199 E CA -0.240 56.124 56.400 -0.059 0.000 0.894 199 E CB 0.699 30.189 29.700 -0.351 0.000 1.008 199 E HN -0.035 nan 8.360 nan 0.000 0.420 200 R N 1.997 122.562 120.500 0.108 0.000 2.886 200 R HA 0.343 4.697 4.340 0.023 0.000 0.306 200 R C -0.665 175.671 176.300 0.059 0.000 1.300 200 R CA -0.143 55.999 56.100 0.071 0.000 1.441 200 R CB 0.096 30.491 30.300 0.157 0.000 1.328 200 R HN 0.361 nan 8.270 nan 0.000 0.629 201 I N 1.422 121.989 120.570 -0.006 0.000 2.355 201 I HA 0.288 4.472 4.170 0.023 0.000 0.288 201 I C -0.676 175.399 176.117 -0.069 0.000 0.999 201 I CA -0.918 60.380 61.300 -0.003 0.000 1.163 201 I CB 0.911 38.869 38.000 -0.070 0.000 1.316 201 I HN 0.158 nan 8.210 nan 0.000 0.454 202 Y N 4.728 124.994 120.300 -0.056 0.000 2.326 202 Y HA 0.541 5.105 4.550 0.023 0.000 0.337 202 Y C 0.080 175.842 175.900 -0.230 0.000 1.023 202 Y CA -0.298 57.723 58.100 -0.132 0.000 1.143 202 Y CB 0.946 39.318 38.460 -0.148 0.000 1.183 202 Y HN 0.454 nan 8.280 nan 0.000 0.485 203 D N 0.845 121.140 120.400 -0.175 0.000 2.653 203 D HA 0.265 4.919 4.640 0.023 0.000 0.258 203 D C -1.518 174.581 176.300 -0.335 0.000 1.252 203 D CA -0.760 53.075 54.000 -0.274 0.000 0.777 203 D CB 1.402 42.146 40.800 -0.094 0.000 1.339 203 D HN 0.288 nan 8.370 nan 0.000 0.422 204 Y N 0.296 120.587 120.300 -0.015 0.000 2.519 204 Y HA 0.629 5.192 4.550 0.023 0.000 0.324 204 Y C 0.549 176.421 175.900 -0.047 0.000 1.214 204 Y CA -0.446 57.630 58.100 -0.041 0.000 1.260 204 Y CB 1.159 39.587 38.460 -0.054 0.000 1.311 204 Y HN 0.120 nan 8.280 nan 0.000 0.505 205 D N -0.914 119.557 120.400 0.119 0.000 2.694 205 D HA 0.330 4.984 4.640 0.023 0.000 0.260 205 D C -1.415 174.898 176.300 0.022 0.000 1.250 205 D CA -0.459 53.565 54.000 0.040 0.000 0.763 205 D CB 2.028 42.821 40.800 -0.012 0.000 1.311 205 D HN 0.413 nan 8.370 nan 0.000 0.420 206 V N -0.083 119.851 119.914 0.033 0.000 3.170 206 V HA 0.487 4.620 4.120 0.023 0.000 0.309 206 V C -0.054 176.080 176.094 0.067 0.000 1.071 206 V CA -0.274 62.080 62.300 0.090 0.000 1.063 206 V CB 0.570 32.454 31.823 0.101 0.000 1.123 206 V HN 0.479 nan 8.190 nan 0.000 0.464 207 Y N 2.809 123.131 120.300 0.038 0.000 2.594 207 Y HA 0.266 4.829 4.550 0.022 0.000 0.344 207 Y C 1.358 177.245 175.900 -0.020 0.000 1.185 207 Y CA 0.251 58.361 58.100 0.016 0.000 1.565 207 Y CB -0.434 38.024 38.460 -0.003 0.000 1.415 207 Y HN 0.877 nan 8.280 nan 0.000 0.488 208 N N -0.491 118.247 118.700 0.064 0.000 2.241 208 N HA 0.035 4.788 4.740 0.023 0.000 0.238 208 N C -0.375 175.141 175.510 0.011 0.000 1.244 208 N CA -0.124 52.947 53.050 0.036 0.000 0.880 208 N CB 0.503 39.006 38.487 0.027 0.000 1.179 208 N HN 0.359 nan 8.380 nan 0.000 0.513 209 D N -0.053 120.349 120.400 0.004 0.000 2.535 209 D HA 0.069 4.722 4.640 0.023 0.000 0.229 209 D C 0.983 177.280 176.300 -0.006 0.000 1.238 209 D CA -0.348 53.645 54.000 -0.012 0.000 0.824 209 D CB 0.097 40.877 40.800 -0.034 0.000 1.045 209 D HN 0.128 nan 8.370 nan 0.000 0.500 210 L N 0.677 121.904 121.223 0.008 0.000 2.307 210 L HA 0.328 4.682 4.340 0.023 0.000 0.211 210 L C 1.566 178.423 176.870 -0.022 0.000 1.099 210 L CA 0.804 55.638 54.840 -0.011 0.000 0.816 210 L CB -0.175 41.873 42.059 -0.018 0.000 0.952 210 L HN 0.180 nan 8.230 nan 0.000 0.455 211 G N -2.122 106.672 108.800 -0.011 0.000 2.552 211 G HA2 0.385 4.358 3.960 0.023 0.000 0.318 211 G HA3 0.385 4.358 3.960 0.023 0.000 0.318 211 G C -1.278 173.633 174.900 0.018 0.000 1.240 211 G CA -0.187 44.917 45.100 0.006 0.000 1.002 211 G HN -0.046 nan 8.290 nan 0.000 0.493 212 D N -0.335 120.093 120.400 0.048 0.000 2.412 212 D HA 0.376 5.030 4.640 0.023 0.000 0.276 212 D C -1.690 174.638 176.300 0.047 0.000 1.196 212 D CA -1.890 52.123 54.000 0.020 0.000 0.905 212 D CB 1.752 42.532 40.800 -0.033 0.000 1.081 212 D HN -0.062 nan 8.370 nan 0.000 0.502 213 P HA -0.096 nan 4.420 nan 0.000 0.216 213 P C 0.793 178.111 177.300 0.029 0.000 1.150 213 P CA 0.868 63.993 63.100 0.042 0.000 0.837 213 P CB 0.488 32.203 31.700 0.026 0.000 0.786 214 D N -0.703 119.699 120.400 0.004 0.000 2.144 214 D HA -0.147 4.506 4.640 0.023 0.000 0.200 214 D C 1.718 178.006 176.300 -0.021 0.000 0.978 214 D CA 1.125 55.120 54.000 -0.009 0.000 0.833 214 D CB -0.508 40.281 40.800 -0.019 0.000 0.961 214 D HN 0.217 nan 8.370 nan 0.000 0.470 215 K N -0.092 120.275 120.400 -0.056 0.000 2.504 215 K HA 0.113 4.446 4.320 0.023 0.000 0.195 215 K C 0.430 177.011 176.600 -0.031 0.000 1.036 215 K CA 0.460 56.671 56.287 -0.126 0.000 0.984 215 K CB 0.221 32.528 32.500 -0.321 0.000 0.788 215 K HN 0.183 nan 8.250 nan 0.000 0.488 216 G N 0.005 108.852 108.800 0.078 0.000 2.356 216 G HA2 -0.096 3.877 3.960 0.023 0.000 0.300 216 G HA3 -0.096 3.877 3.960 0.023 0.000 0.300 216 G C -0.536 174.445 174.900 0.134 0.000 1.331 216 G CA -0.287 44.912 45.100 0.165 0.000 0.905 216 G HN 0.102 nan 8.290 nan 0.000 0.587 217 E N -0.313 119.941 120.200 0.090 0.000 2.307 217 E HA 0.004 4.367 4.350 0.023 0.000 0.195 217 E C 1.576 178.179 176.600 0.006 0.000 0.975 217 E CA 0.513 56.941 56.400 0.045 0.000 0.878 217 E CB 0.261 29.980 29.700 0.031 0.000 0.845 217 E HN 0.433 nan 8.360 nan 0.000 0.488 218 N N 0.326 119.004 118.700 -0.037 0.000 2.396 218 N HA -0.090 4.664 4.740 0.023 0.000 0.180 218 N C 1.437 176.734 175.510 -0.354 0.000 1.028 218 N CA 0.626 53.557 53.050 -0.198 0.000 0.893 218 N CB 0.114 38.433 38.487 -0.279 0.000 0.967 218 N HN 0.214 nan 8.380 nan 0.000 0.440 219 H N -1.112 117.948 119.070 -0.017 0.000 2.575 219 H HA 0.279 4.849 4.556 0.022 0.000 0.267 219 H C 0.235 175.549 175.328 -0.024 0.000 0.966 219 H CA -0.016 56.017 56.048 -0.025 0.000 1.165 219 H CB 0.336 30.084 29.762 -0.023 0.000 1.433 219 H HN 0.147 nan 8.280 nan 0.000 0.544 220 A N 1.968 124.822 122.820 0.058 0.000 2.371 220 A HA 0.452 4.785 4.320 0.023 0.000 0.257 220 A C 0.379 177.967 177.584 0.008 0.000 1.089 220 A CA -0.248 51.811 52.037 0.036 0.000 0.794 220 A CB 0.746 19.769 19.000 0.038 0.000 1.029 220 A HN 0.147 nan 8.150 nan 0.000 0.488 221 R N 1.083 121.583 120.500 -0.002 0.000 2.744 221 R HA 0.477 4.830 4.340 0.023 0.000 0.279 221 R C -2.943 173.342 176.300 -0.026 0.000 0.977 221 R CA -1.845 54.236 56.100 -0.031 0.000 0.906 221 R CB 1.001 31.261 30.300 -0.067 0.000 1.197 221 R HN 0.532 nan 8.270 nan 0.000 0.463 222 P HA -0.026 nan 4.420 nan 0.000 0.266 222 P C -0.263 177.015 177.300 -0.037 0.000 1.195 222 P CA -0.306 62.791 63.100 -0.005 0.000 0.768 222 P CB 0.528 32.194 31.700 -0.057 0.000 0.838 223 V N 5.159 125.105 119.914 0.053 0.000 2.446 223 V HA 0.025 4.159 4.120 0.023 0.000 0.276 223 V C -0.290 175.844 176.094 0.067 0.000 1.030 223 V CA -0.175 62.159 62.300 0.056 0.000 1.033 223 V CB -0.410 31.460 31.823 0.078 0.000 0.993 223 V HN 0.250 nan 8.190 nan 0.000 0.477 224 L N 8.111 129.332 121.223 -0.002 0.000 2.283 224 L HA 0.801 5.155 4.340 0.023 0.000 0.287 224 L C 0.627 177.566 176.870 0.114 0.000 1.073 224 L CA 1.267 56.070 54.840 -0.061 0.000 0.822 224 L CB 0.318 42.087 42.059 -0.484 0.000 1.186 224 L HN 1.051 nan 8.230 nan 0.000 0.436 225 G N 2.068 110.975 108.800 0.178 0.000 2.629 225 G HA2 0.428 4.401 3.960 0.023 0.000 0.686 225 G HA3 0.428 4.401 3.960 0.023 0.000 0.686 225 G C 0.355 175.342 174.900 0.144 0.000 1.232 225 G CA -0.439 44.772 45.100 0.186 0.000 0.803 225 G HN 1.276 nan 8.290 nan 0.000 0.638 226 G N -0.849 108.023 108.800 0.120 0.000 2.159 226 G HA2 0.080 4.054 3.960 0.023 0.000 0.256 226 G HA3 0.080 4.054 3.960 0.023 0.000 0.256 226 G C 0.237 175.189 174.900 0.087 0.000 0.977 226 G CA 1.260 46.411 45.100 0.085 0.000 0.652 226 G HN 2.639 nan 8.290 nan 0.000 0.531 227 N N -1.740 117.028 118.700 0.114 0.000 2.610 227 N HA 0.598 5.352 4.740 0.023 0.000 0.264 227 N C -0.215 175.359 175.510 0.107 0.000 1.348 227 N CA -0.431 52.677 53.050 0.097 0.000 0.819 227 N CB 0.657 39.203 38.487 0.098 0.000 1.521 227 N HN -0.152 nan 8.380 nan 0.000 0.497 228 D N -1.174 119.267 120.400 0.067 0.000 2.333 228 D HA 0.047 4.700 4.640 0.023 0.000 0.208 228 D C 0.835 177.149 176.300 0.025 0.000 0.984 228 D CA 0.885 54.923 54.000 0.064 0.000 0.873 228 D CB 0.190 41.016 40.800 0.043 0.000 0.935 228 D HN 0.619 nan 8.370 nan 0.000 0.521 229 T N -0.174 114.347 114.554 -0.054 0.000 2.770 229 T HA -0.008 4.355 4.350 0.023 0.000 0.258 229 T C 0.310 174.844 174.700 -0.277 0.000 1.039 229 T CA 0.715 62.660 62.100 -0.259 0.000 1.143 229 T CB -0.039 68.555 68.868 -0.456 0.000 0.866 229 T HN 0.015 nan 8.240 nan 0.000 0.428 230 F N 3.072 123.088 119.950 0.111 0.000 2.371 230 F HA 0.376 4.917 4.527 0.023 0.000 0.343 230 F C -2.432 173.465 175.800 0.163 0.000 1.150 230 F CA -3.656 54.415 58.000 0.119 0.000 1.220 230 F CB 0.676 39.707 39.000 0.051 0.000 1.475 230 F HN -0.040 nan 8.300 nan 0.000 0.521 231 P HA 0.186 nan 4.420 nan 0.000 0.274 231 P C -1.167 176.392 177.300 0.432 0.000 1.231 231 P CA -0.016 63.337 63.100 0.423 0.000 0.790 231 P CB 1.825 33.821 31.700 0.493 0.000 0.951 232 Y N 1.103 121.334 120.300 -0.115 0.000 2.624 232 Y HA 0.372 4.936 4.550 0.022 0.000 0.334 232 Y C -2.489 173.040 175.900 -0.618 0.000 1.155 232 Y CA -2.162 55.562 58.100 -0.627 0.000 1.046 232 Y CB 1.771 40.011 38.460 -0.367 0.000 1.316 232 Y HN 0.269 nan 8.280 nan 0.000 0.457 233 P HA 0.231 nan 4.420 nan 0.000 0.272 233 P C -0.694 176.481 177.300 -0.208 0.000 1.240 233 P CA -0.295 62.366 63.100 -0.732 0.000 0.791 233 P CB 0.592 31.782 31.700 -0.850 0.000 0.978 234 R N 1.602 121.989 120.500 -0.189 0.000 2.577 234 R HA 0.448 4.802 4.340 0.023 0.000 0.269 234 R C 0.597 176.935 176.300 0.064 0.000 1.084 234 R CA -0.302 55.811 56.100 0.021 0.000 1.163 234 R CB 0.387 30.700 30.300 0.022 0.000 1.100 234 R HN 0.622 nan 8.270 nan 0.000 0.547 235 R N -1.420 119.071 120.500 -0.015 0.000 2.912 235 R HA 0.549 4.902 4.340 0.023 0.000 0.262 235 R C -0.101 176.141 176.300 -0.097 0.000 1.057 235 R CA -0.793 55.225 56.100 -0.138 0.000 0.981 235 R CB -0.037 29.924 30.300 -0.565 0.000 1.201 235 R HN 0.606 nan 8.270 nan 0.000 0.484 236 G N 0.895 109.631 108.800 -0.107 0.000 2.305 236 G HA2 0.106 4.079 3.960 0.023 0.000 0.243 236 G HA3 0.106 4.079 3.960 0.023 0.000 0.243 236 G C -0.608 174.245 174.900 -0.077 0.000 1.288 236 G CA -0.451 44.589 45.100 -0.101 0.000 0.901 236 G HN 0.591 nan 8.290 nan 0.000 0.516 237 R N 1.416 121.883 120.500 -0.054 0.000 2.401 237 R HA 0.323 4.677 4.340 0.023 0.000 0.299 237 R C 0.209 176.519 176.300 0.017 0.000 1.064 237 R CA 0.021 56.102 56.100 -0.032 0.000 1.000 237 R CB 0.303 30.579 30.300 -0.039 0.000 0.973 237 R HN 0.569 nan 8.270 nan 0.000 0.438 238 T N 0.703 115.252 114.554 -0.009 0.000 2.885 238 T HA 0.429 4.793 4.350 0.023 0.000 0.285 238 T C 0.699 175.337 174.700 -0.104 0.000 1.019 238 T CA -0.822 61.270 62.100 -0.013 0.000 1.010 238 T CB 2.023 70.904 68.868 0.022 0.000 1.022 238 T HN 0.581 nan 8.240 nan 0.000 0.466 239 G N 1.223 109.914 108.800 -0.181 0.000 3.448 239 G HA2 0.198 4.171 3.960 0.023 0.000 0.261 239 G HA3 0.198 4.171 3.960 0.023 0.000 0.261 239 G C 0.496 175.325 174.900 -0.118 0.000 1.173 239 G CA -0.711 44.296 45.100 -0.155 0.000 0.835 239 G HN 0.683 nan 8.290 nan 0.000 0.534 240 R N 0.842 121.285 120.500 -0.095 0.000 2.758 240 R HA 0.126 4.480 4.340 0.023 0.000 0.263 240 R C 0.765 177.029 176.300 -0.059 0.000 1.010 240 R CA 0.196 56.252 56.100 -0.073 0.000 1.114 240 R CB 0.534 30.800 30.300 -0.057 0.000 0.985 240 R HN 0.426 nan 8.270 nan 0.000 0.439 241 K N 3.256 123.625 120.400 -0.051 0.000 2.382 241 K HA 0.175 4.508 4.320 0.023 0.000 0.275 241 K C -2.237 174.344 176.600 -0.032 0.000 1.009 241 K CA -1.366 54.896 56.287 -0.041 0.000 0.970 241 K CB 0.443 32.922 32.500 -0.036 0.000 0.934 241 K HN 0.263 nan 8.250 nan 0.000 0.479 242 P HA -0.044 nan 4.420 nan 0.000 0.270 242 P C -0.381 176.909 177.300 -0.016 0.000 1.223 242 P CA -0.247 62.842 63.100 -0.019 0.000 0.785 242 P CB 0.493 32.184 31.700 -0.014 0.000 0.923 243 T N 1.918 116.465 114.554 -0.011 0.000 2.937 243 T HA 0.022 4.385 4.350 0.023 0.000 0.316 243 T C 1.827 176.523 174.700 -0.006 0.000 1.079 243 T CA 0.094 62.189 62.100 -0.009 0.000 1.131 243 T CB 0.184 69.050 68.868 -0.003 0.000 1.000 243 T HN 0.328 nan 8.240 nan 0.000 0.549 244 R N 1.805 122.300 120.500 -0.007 0.000 2.061 244 R HA -0.002 4.352 4.340 0.023 0.000 0.230 244 R C 2.237 178.537 176.300 -0.000 0.000 1.140 244 R CA 1.187 57.284 56.100 -0.005 0.000 0.940 244 R CB -0.072 30.224 30.300 -0.007 0.000 0.839 244 R HN 0.537 nan 8.270 nan 0.000 0.429 245 K N 0.190 120.592 120.400 0.003 0.000 2.574 245 K HA -0.059 4.274 4.320 0.023 0.000 0.193 245 K C -0.261 176.345 176.600 0.011 0.000 1.035 245 K CA 0.558 56.850 56.287 0.008 0.000 0.982 245 K CB 0.039 32.546 32.500 0.012 0.000 0.795 245 K HN 0.080 nan 8.250 nan 0.000 0.491 246 D N -0.886 119.520 120.400 0.009 0.000 2.764 246 D HA 0.148 4.802 4.640 0.023 0.000 0.227 246 D C -2.491 173.814 176.300 0.008 0.000 1.347 246 D CA -1.982 52.025 54.000 0.012 0.000 0.953 246 D CB 1.995 42.805 40.800 0.017 0.000 1.476 246 D HN -0.309 nan 8.370 nan 0.000 0.585 247 P HA 0.033 nan 4.420 nan 0.000 0.223 247 P C 0.594 177.898 177.300 0.006 0.000 1.151 247 P CA 0.581 63.684 63.100 0.004 0.000 0.787 247 P CB 0.331 32.035 31.700 0.005 0.000 0.788 248 N N -1.436 117.271 118.700 0.012 0.000 2.398 248 N HA 0.065 4.819 4.740 0.023 0.000 0.188 248 N C 0.152 175.671 175.510 0.015 0.000 1.122 248 N CA 0.512 53.572 53.050 0.016 0.000 0.866 248 N CB 0.098 38.600 38.487 0.026 0.000 0.970 248 N HN 0.059 nan 8.380 nan 0.000 0.462 249 S N 0.300 116.006 115.700 0.010 0.000 2.537 249 S HA 0.240 4.724 4.470 0.023 0.000 0.301 249 S C -0.186 174.412 174.600 -0.004 0.000 1.092 249 S CA -0.722 57.482 58.200 0.006 0.000 1.048 249 S CB 2.563 65.768 63.200 0.009 0.000 1.053 249 S HN 0.144 nan 8.310 nan 0.000 0.501 250 E N 1.622 121.816 120.200 -0.010 0.000 2.197 250 E HA 0.343 4.706 4.350 0.023 0.000 0.281 250 E C -0.281 176.306 176.600 -0.021 0.000 0.995 250 E CA -0.617 55.771 56.400 -0.020 0.000 0.808 250 E CB 0.745 30.428 29.700 -0.028 0.000 1.093 250 E HN 0.653 nan 8.360 nan 0.000 0.394 251 S N 4.354 120.039 115.700 -0.024 0.000 2.560 251 S HA 0.154 4.638 4.470 0.023 0.000 0.284 251 S C 0.336 174.920 174.600 -0.028 0.000 1.327 251 S CA -0.644 57.540 58.200 -0.025 0.000 1.055 251 S CB 0.797 63.981 63.200 -0.027 0.000 0.868 251 S HN 0.476 nan 8.310 nan 0.000 0.506 252 R N 1.201 121.684 120.500 -0.028 0.000 2.641 252 R HA 0.422 4.775 4.340 0.023 0.000 0.269 252 R C 0.030 176.313 176.300 -0.029 0.000 1.074 252 R CA -0.085 55.998 56.100 -0.029 0.000 1.133 252 R CB 1.099 31.380 30.300 -0.032 0.000 1.029 252 R HN 0.756 nan 8.270 nan 0.000 0.488 253 S N 0.237 115.921 115.700 -0.027 0.000 2.536 253 S HA 0.112 4.596 4.470 0.023 0.000 0.271 253 S C 0.181 174.769 174.600 -0.020 0.000 1.134 253 S CA -0.789 57.397 58.200 -0.024 0.000 0.897 253 S CB 1.478 64.664 63.200 -0.024 0.000 1.094 253 S HN 0.627 nan 8.310 nan 0.000 0.473 254 N N 2.352 121.041 118.700 -0.018 0.000 2.571 254 N HA 0.100 4.854 4.740 0.023 0.000 0.189 254 N C -0.806 174.699 175.510 -0.008 0.000 1.154 254 N CA 0.715 53.756 53.050 -0.015 0.000 0.907 254 N CB 0.128 38.606 38.487 -0.014 0.000 0.977 254 N HN 0.562 nan 8.380 nan 0.000 0.449 255 D N 0.219 120.615 120.400 -0.006 0.000 2.542 255 D HA 0.147 4.801 4.640 0.023 0.000 0.252 255 D C -0.803 175.499 176.300 0.003 0.000 1.222 255 D CA -0.418 53.584 54.000 0.002 0.000 0.895 255 D CB 2.205 43.009 40.800 0.006 0.000 1.207 255 D HN -0.088 nan 8.370 nan 0.000 0.558 256 V N 1.563 121.479 119.914 0.003 0.000 2.407 256 V HA 0.398 4.532 4.120 0.023 0.000 0.278 256 V C -0.115 175.984 176.094 0.009 0.000 1.037 256 V CA -0.853 61.450 62.300 0.006 0.000 0.900 256 V CB 0.675 32.493 31.823 -0.009 0.000 0.983 256 V HN 0.397 nan 8.190 nan 0.000 0.459 257 Y N 7.114 127.352 120.300 -0.102 0.000 2.411 257 Y HA 0.658 5.221 4.550 0.023 0.000 0.333 257 Y C -0.288 175.530 175.900 -0.137 0.000 1.186 257 Y CA -0.578 57.440 58.100 -0.136 0.000 1.381 257 Y CB 1.054 39.405 38.460 -0.181 0.000 1.273 257 Y HN 0.888 nan 8.280 nan 0.000 0.546 258 L N 4.116 124.614 121.223 -1.208 0.000 2.472 258 L HA 0.677 5.030 4.340 0.023 0.000 0.260 258 L C -3.083 172.976 176.870 -1.351 0.000 0.963 258 L CA -2.669 51.521 54.840 -1.082 0.000 0.829 258 L CB 1.909 43.703 42.059 -0.442 0.000 1.348 258 L HN 0.357 nan 8.230 nan 0.000 0.408 259 P HA 0.054 nan 4.420 nan 0.000 0.262 259 P C -0.702 176.391 177.300 -0.345 0.000 1.182 259 P CA -0.038 62.651 63.100 -0.685 0.000 0.761 259 P CB 0.385 31.469 31.700 -1.027 0.000 0.795 260 R N 3.696 124.103 120.500 -0.153 0.000 2.585 260 R HA 0.034 4.388 4.340 0.023 0.000 0.275 260 R C 0.627 176.994 176.300 0.112 0.000 1.018 260 R CA 1.381 57.479 56.100 -0.004 0.000 1.072 260 R CB -0.695 29.666 30.300 0.101 0.000 0.953 260 R HN 0.569 nan 8.270 nan 0.000 0.419 261 D N 1.488 121.977 120.400 0.149 0.000 1.839 261 D HA -0.144 4.510 4.640 0.023 0.000 0.189 261 D C 0.434 176.668 176.300 -0.110 0.000 1.186 261 D CA 1.196 55.282 54.000 0.145 0.000 1.191 261 D CB -0.749 40.212 40.800 0.268 0.000 1.310 261 D HN 0.637 nan 8.370 nan 0.000 0.607 262 E N 0.307 120.501 120.200 -0.010 0.000 2.371 262 E HA 0.225 4.588 4.350 0.023 0.000 0.194 262 E C 0.874 177.513 176.600 0.065 0.000 1.012 262 E CA 0.809 57.262 56.400 0.088 0.000 0.860 262 E CB 0.183 29.927 29.700 0.074 0.000 0.811 262 E HN 0.442 nan 8.360 nan 0.000 0.502 263 A N 1.367 124.141 122.820 -0.077 0.000 2.366 263 A HA 0.418 4.751 4.320 0.023 0.000 0.322 263 A C -0.690 176.841 177.584 -0.088 0.000 1.397 263 A CA -0.417 51.615 52.037 -0.008 0.000 0.984 263 A CB -0.545 18.425 19.000 -0.051 0.000 1.149 263 A HN -0.092 nan 8.150 nan 0.000 0.540 264 F N 1.952 121.931 119.950 0.048 0.000 2.410 264 F HA 0.500 5.040 4.527 0.021 0.000 0.348 264 F C 1.278 176.906 175.800 -0.287 0.000 1.106 264 F CA 0.221 58.178 58.000 -0.073 0.000 1.163 264 F CB 1.472 40.391 39.000 -0.136 0.000 1.129 264 F HN 0.616 nan 8.300 nan 0.000 0.516 265 G N 2.008 110.719 108.800 -0.147 0.000 2.547 265 G HA2 0.455 4.429 3.960 0.023 0.000 0.291 265 G HA3 0.455 4.429 3.960 0.023 0.000 0.291 265 G C -0.968 173.492 174.900 -0.734 0.000 1.211 265 G CA -0.376 44.605 45.100 -0.198 0.000 0.950 265 G HN 0.645 nan 8.290 nan 0.000 0.504 266 H N -0.742 118.177 119.070 -0.252 0.000 2.985 266 H HA 0.312 4.882 4.556 0.024 0.000 0.360 266 H C 0.107 175.415 175.328 -0.033 0.000 1.221 266 H CA -0.651 55.210 56.048 -0.313 0.000 1.121 266 H CB 2.163 31.470 29.762 -0.759 0.000 1.854 266 H HN 0.248 nan 8.280 nan 0.000 0.551 267 L N 0.384 121.677 121.223 0.117 0.000 2.202 267 L HA 0.122 4.476 4.340 0.023 0.000 0.205 267 L C 0.797 177.758 176.870 0.153 0.000 1.083 267 L CA 1.464 56.380 54.840 0.127 0.000 0.790 267 L CB -0.053 42.054 42.059 0.079 0.000 0.942 267 L HN 0.301 nan 8.230 nan 0.000 0.452 268 K N -1.216 119.259 120.400 0.124 0.000 2.118 268 K HA 0.151 4.484 4.320 0.023 0.000 0.267 268 K C 1.144 177.866 176.600 0.203 0.000 0.991 268 K CA 0.007 56.363 56.287 0.116 0.000 0.916 268 K CB 1.868 34.398 32.500 0.051 0.000 1.041 268 K HN -0.167 nan 8.250 nan 0.000 0.455 269 S N 1.101 116.917 115.700 0.194 0.000 2.368 269 S HA -0.124 4.360 4.470 0.023 0.000 0.224 269 S C 1.639 176.367 174.600 0.213 0.000 1.029 269 S CA 1.915 60.256 58.200 0.235 0.000 0.988 269 S CB -0.113 63.143 63.200 0.093 0.000 0.838 269 S HN 0.722 nan 8.310 nan 0.000 0.462 270 S N 0.161 115.920 115.700 0.098 0.000 2.595 270 S HA 0.014 4.497 4.470 0.023 0.000 0.235 270 S C 0.663 175.260 174.600 -0.005 0.000 0.974 270 S CA 0.775 59.002 58.200 0.045 0.000 0.942 270 S CB -0.306 62.904 63.200 0.018 0.000 0.766 270 S HN 0.459 nan 8.310 nan 0.000 0.536 271 D N 0.226 120.587 120.400 -0.066 0.000 2.379 271 D HA 0.230 4.884 4.640 0.023 0.000 0.208 271 D C -0.459 175.493 176.300 -0.580 0.000 1.065 271 D CA -0.069 53.723 54.000 -0.346 0.000 0.848 271 D CB -0.164 40.344 40.800 -0.487 0.000 0.949 271 D HN 0.457 nan 8.370 nan 0.000 0.509 272 F N 1.705 121.543 119.950 -0.187 0.000 2.659 272 F HA 0.157 4.696 4.527 0.020 0.000 0.360 272 F C 1.697 177.529 175.800 0.053 0.000 1.218 272 F CA -0.148 57.842 58.000 -0.017 0.000 1.317 272 F CB -0.273 38.756 39.000 0.049 0.000 1.697 272 F HN -0.158 nan 8.300 nan 0.000 0.637 273 L N 0.041 121.311 121.223 0.078 0.000 2.046 273 L HA -0.224 4.130 4.340 0.023 0.000 0.208 273 L C 2.666 179.628 176.870 0.154 0.000 1.077 273 L CA 1.793 56.691 54.840 0.096 0.000 0.747 273 L CB -1.078 41.009 42.059 0.048 0.000 0.896 273 L HN 0.511 nan 8.230 nan 0.000 0.432 274 T N -3.303 111.370 114.554 0.198 0.000 2.849 274 T HA -0.293 4.071 4.350 0.023 0.000 0.270 274 T C 1.779 176.598 174.700 0.198 0.000 1.066 274 T CA 1.225 63.439 62.100 0.189 0.000 1.130 274 T CB -0.629 68.366 68.868 0.211 0.000 0.864 274 T HN 0.329 nan 8.240 nan 0.000 0.481 275 Y N 2.249 122.639 120.300 0.151 0.000 2.263 275 Y HA 0.199 4.759 4.550 0.017 0.000 0.292 275 Y C 2.627 178.560 175.900 0.054 0.000 1.130 275 Y CA 0.942 59.105 58.100 0.105 0.000 1.179 275 Y CB -0.766 37.768 38.460 0.125 0.000 0.998 275 Y HN 0.270 nan 8.280 nan 0.000 0.532 276 G N 0.117 109.011 108.800 0.156 0.000 2.421 276 G HA2 -0.250 3.723 3.960 0.023 0.000 0.216 276 G HA3 -0.250 3.723 3.960 0.023 0.000 0.216 276 G C 1.666 176.553 174.900 -0.022 0.000 1.171 276 G CA 1.156 46.271 45.100 0.026 0.000 0.775 276 G HN 0.419 nan 8.290 nan 0.000 0.543 277 L N 0.098 121.332 121.223 0.018 0.000 2.079 277 L HA -0.058 4.296 4.340 0.023 0.000 0.210 277 L C 2.830 179.691 176.870 -0.015 0.000 1.081 277 L CA 1.542 56.394 54.840 0.020 0.000 0.752 277 L CB -0.237 41.848 42.059 0.044 0.000 0.896 277 L HN 0.201 nan 8.230 nan 0.000 0.433 278 K N -0.508 119.859 120.400 -0.055 0.000 2.057 278 K HA -0.144 4.189 4.320 0.023 0.000 0.207 278 K C 2.211 178.736 176.600 -0.125 0.000 1.049 278 K CA 1.570 57.800 56.287 -0.095 0.000 0.931 278 K CB 0.046 32.461 32.500 -0.142 0.000 0.714 278 K HN 0.152 nan 8.250 nan 0.000 0.440 279 S N 0.246 115.836 115.700 -0.184 0.000 2.402 279 S HA -0.084 4.400 4.470 0.023 0.000 0.229 279 S C 1.836 176.425 174.600 -0.019 0.000 1.021 279 S CA 0.877 58.991 58.200 -0.143 0.000 0.974 279 S CB 0.026 63.112 63.200 -0.190 0.000 0.800 279 S HN 0.099 nan 8.310 nan 0.000 0.484 280 V N 2.282 122.209 119.914 0.021 0.000 2.307 280 V HA -0.126 4.008 4.120 0.023 0.000 0.245 280 V C 2.487 178.619 176.094 0.064 0.000 1.045 280 V CA 1.976 64.337 62.300 0.101 0.000 1.024 280 V CB -0.726 31.178 31.823 0.135 0.000 0.651 280 V HN 0.674 nan 8.190 nan 0.000 0.449 281 S N -1.391 114.323 115.700 0.024 0.000 2.561 281 S HA -0.056 4.427 4.470 0.023 0.000 0.225 281 S C 1.598 176.203 174.600 0.008 0.000 0.977 281 S CA 0.703 58.910 58.200 0.012 0.000 0.926 281 S CB 0.010 63.206 63.200 -0.007 0.000 0.769 281 S HN 0.702 nan 8.310 nan 0.000 0.533 282 Q N 0.037 119.836 119.800 -0.003 0.000 2.471 282 Q HA 0.260 4.614 4.340 0.023 0.000 0.241 282 Q C 1.147 177.150 176.000 0.005 0.000 0.886 282 Q CA 0.259 56.056 55.803 -0.010 0.000 0.953 282 Q CB 0.192 28.905 28.738 -0.041 0.000 1.108 282 Q HN 0.456 nan 8.270 nan 0.000 0.575 283 N N -0.292 118.416 118.700 0.014 0.000 2.545 283 N HA 0.003 4.757 4.740 0.023 0.000 0.190 283 N C 1.834 177.383 175.510 0.066 0.000 1.043 283 N CA 0.665 53.734 53.050 0.031 0.000 0.879 283 N CB 0.228 38.728 38.487 0.023 0.000 1.210 283 N HN -0.060 nan 8.380 nan 0.000 0.437 284 V N 2.289 122.262 119.914 0.098 0.000 2.323 284 V HA -0.054 4.080 4.120 0.023 0.000 0.244 284 V C 2.433 178.602 176.094 0.126 0.000 1.041 284 V CA 0.944 63.322 62.300 0.130 0.000 1.025 284 V CB -0.564 31.383 31.823 0.206 0.000 0.656 284 V HN 0.166 nan 8.190 nan 0.000 0.451 285 L N 0.481 121.774 121.223 0.117 0.000 1.970 285 L HA -0.116 4.238 4.340 0.023 0.000 0.212 285 L C -0.005 176.982 176.870 0.194 0.000 1.071 285 L CA 2.257 57.190 54.840 0.155 0.000 0.751 285 L CB -1.249 40.870 42.059 0.100 0.000 0.889 285 L HN 0.296 nan 8.230 nan 0.000 0.432 286 P HA -0.180 nan 4.420 nan 0.000 0.215 286 P C 1.882 179.222 177.300 0.066 0.000 1.153 286 P CA 1.502 64.650 63.100 0.079 0.000 0.853 286 P CB 0.032 31.759 31.700 0.045 0.000 0.788 287 L N -1.889 119.376 121.223 0.069 0.000 2.156 287 L HA -0.113 4.241 4.340 0.023 0.000 0.208 287 L C 2.235 179.147 176.870 0.071 0.000 1.095 287 L CA 0.688 55.557 54.840 0.048 0.000 0.770 287 L CB -0.675 41.407 42.059 0.038 0.000 0.914 287 L HN 0.009 nan 8.230 nan 0.000 0.439 288 L N 0.217 121.529 121.223 0.149 0.000 2.109 288 L HA -0.199 4.155 4.340 0.023 0.000 0.207 288 L C 2.633 179.669 176.870 0.276 0.000 1.086 288 L CA 1.646 56.640 54.840 0.257 0.000 0.760 288 L CB -0.524 41.761 42.059 0.376 0.000 0.910 288 L HN 0.390 nan 8.230 nan 0.000 0.437 289 Q N -2.287 117.571 119.800 0.096 0.000 2.297 289 Q HA -0.082 4.272 4.340 0.023 0.000 0.204 289 Q C 1.763 177.694 176.000 -0.116 0.000 0.962 289 Q CA 1.450 57.074 55.803 -0.299 0.000 0.879 289 Q CB -0.409 28.048 28.738 -0.468 0.000 0.947 289 Q HN 0.402 nan 8.270 nan 0.000 0.462 290 S N 1.277 116.958 115.700 -0.031 0.000 2.406 290 S HA 0.010 4.494 4.470 0.023 0.000 0.228 290 S C 2.005 176.588 174.600 -0.028 0.000 1.020 290 S CA 0.857 59.037 58.200 -0.033 0.000 0.965 290 S CB -0.121 63.062 63.200 -0.029 0.000 0.798 290 S HN 0.601 nan 8.310 nan 0.000 0.488 291 A N -0.169 122.637 122.820 -0.023 0.000 2.168 291 A HA 0.207 4.541 4.320 0.023 0.000 0.215 291 A C 1.513 178.993 177.584 -0.172 0.000 1.152 291 A CA 0.689 52.670 52.037 -0.095 0.000 0.716 291 A CB -0.483 18.431 19.000 -0.143 0.000 0.794 291 A HN 0.482 nan 8.150 nan 0.000 0.465 292 F N -0.616 119.265 119.950 -0.114 0.000 2.505 292 F HA 0.075 4.614 4.527 0.021 0.000 0.289 292 F C 1.466 177.188 175.800 -0.130 0.000 1.101 292 F CA 0.458 58.376 58.000 -0.137 0.000 1.446 292 F CB 0.326 39.171 39.000 -0.259 0.000 1.123 292 F HN 0.129 nan 8.300 nan 0.000 0.564 293 D N 0.574 120.988 120.400 0.024 0.000 2.363 293 D HA -0.018 4.636 4.640 0.023 0.000 0.220 293 D C 1.617 177.913 176.300 -0.006 0.000 0.994 293 D CA 0.546 54.537 54.000 -0.015 0.000 0.890 293 D CB 0.336 41.109 40.800 -0.045 0.000 0.906 293 D HN 0.287 nan 8.370 nan 0.000 0.530 294 L N -0.612 120.610 121.223 -0.002 0.000 2.541 294 L HA 0.207 4.561 4.340 0.023 0.000 0.189 294 L C 0.953 177.826 176.870 0.004 0.000 1.374 294 L CA 0.035 54.884 54.840 0.015 0.000 2.938 294 L CB 0.578 42.666 42.059 0.048 0.000 2.789 294 L HN -0.191 nan 8.230 nan 0.000 1.068 295 N N -2.244 116.465 118.700 0.014 0.000 1.961 295 N HA -0.053 4.701 4.740 0.023 0.000 0.219 295 N C 0.871 176.338 175.510 -0.071 0.000 1.432 295 N CA 0.002 53.026 53.050 -0.043 0.000 0.747 295 N CB 0.265 38.720 38.487 -0.053 0.000 1.121 295 N HN 0.274 nan 8.380 nan 0.000 0.575 296 F N 2.056 121.905 119.950 -0.169 0.000 2.202 296 F HA -0.048 4.494 4.527 0.026 0.000 0.301 296 F C 1.146 176.824 175.800 -0.204 0.000 1.082 296 F CA 1.561 59.463 58.000 -0.163 0.000 1.313 296 F CB 0.378 39.284 39.000 -0.157 0.000 1.024 296 F HN -0.020 nan 8.300 nan 0.000 0.495 297 T N -1.287 113.167 114.554 -0.167 0.000 2.881 297 T HA 0.382 4.746 4.350 0.023 0.000 0.290 297 T C -2.733 171.795 174.700 -0.285 0.000 1.000 297 T CA -2.236 59.701 62.100 -0.271 0.000 0.978 297 T CB 1.847 70.439 68.868 -0.461 0.000 0.997 297 T HN -0.273 nan 8.240 nan 0.000 0.443 298 P HA 0.178 nan 4.420 nan 0.000 0.268 298 P C 0.505 177.817 177.300 0.020 0.000 1.208 298 P CA -0.434 62.629 63.100 -0.063 0.000 0.777 298 P CB 1.093 32.771 31.700 -0.035 0.000 0.875 299 R N 0.382 120.946 120.500 0.107 0.000 2.285 299 R HA -0.018 4.336 4.340 0.023 0.000 0.213 299 R C 0.672 177.017 176.300 0.075 0.000 1.068 299 R CA 1.037 57.278 56.100 0.235 0.000 1.004 299 R CB 0.108 30.491 30.300 0.140 0.000 0.873 299 R HN 0.615 nan 8.270 nan 0.000 0.467 300 E N -0.992 119.203 120.200 -0.009 0.000 2.393 300 E HA 0.291 4.654 4.350 0.023 0.000 0.273 300 E C -1.355 175.197 176.600 -0.081 0.000 0.918 300 E CA -0.717 55.639 56.400 -0.072 0.000 0.773 300 E CB 1.374 31.083 29.700 0.015 0.000 1.275 300 E HN -0.176 nan 8.360 nan 0.000 0.451 301 F N 1.484 121.494 119.950 0.098 0.000 2.399 301 F HA 0.181 4.720 4.527 0.020 0.000 0.342 301 F C 1.253 177.110 175.800 0.096 0.000 1.106 301 F CA 0.067 58.128 58.000 0.102 0.000 1.196 301 F CB 0.753 39.822 39.000 0.114 0.000 1.163 301 F HN 0.457 nan 8.300 nan 0.000 0.547 302 D N -0.188 120.383 120.400 0.284 0.000 2.449 302 D HA 0.065 4.718 4.640 0.023 0.000 0.210 302 D C 0.050 176.437 176.300 0.145 0.000 1.094 302 D CA 0.576 54.678 54.000 0.171 0.000 0.846 302 D CB 0.598 41.462 40.800 0.107 0.000 1.003 302 D HN 0.442 nan 8.370 nan 0.000 0.504 303 S N -1.120 114.695 115.700 0.192 0.000 2.596 303 S HA 0.292 4.775 4.470 0.023 0.000 0.270 303 S C 0.225 174.993 174.600 0.280 0.000 1.155 303 S CA -0.666 57.618 58.200 0.139 0.000 0.827 303 S CB 0.740 63.982 63.200 0.070 0.000 1.130 303 S HN -0.253 nan 8.310 nan 0.000 0.467 304 F N 1.764 121.747 119.950 0.055 0.000 2.171 304 F HA -0.000 4.540 4.527 0.023 0.000 0.300 304 F C 2.078 177.939 175.800 0.102 0.000 1.090 304 F CA 0.923 58.967 58.000 0.073 0.000 1.293 304 F CB -1.082 37.983 39.000 0.108 0.000 1.013 304 F HN 0.651 nan 8.300 nan 0.000 0.486 305 D N -0.054 120.478 120.400 0.220 0.000 2.178 305 D HA -0.215 4.439 4.640 0.023 0.000 0.201 305 D C 2.018 178.378 176.300 0.100 0.000 0.980 305 D CA 1.112 55.168 54.000 0.094 0.000 0.842 305 D CB -0.349 40.472 40.800 0.036 0.000 0.948 305 D HN 0.434 nan 8.370 nan 0.000 0.472 306 E N 0.655 120.930 120.200 0.124 0.000 2.274 306 E HA -0.097 4.267 4.350 0.023 0.000 0.194 306 E C 1.990 178.641 176.600 0.084 0.000 0.996 306 E CA 0.287 56.775 56.400 0.145 0.000 0.840 306 E CB 0.378 30.221 29.700 0.237 0.000 0.772 306 E HN 0.026 nan 8.360 nan 0.000 0.491 307 V N -0.034 119.826 119.914 -0.089 0.000 2.446 307 V HA -0.149 3.985 4.120 0.023 0.000 0.244 307 V C 1.637 177.540 176.094 -0.317 0.000 1.039 307 V CA 1.672 63.717 62.300 -0.426 0.000 1.045 307 V CB -0.547 30.918 31.823 -0.597 0.000 0.681 307 V HN 0.306 nan 8.190 nan 0.000 0.459 308 H N 0.801 119.690 119.070 -0.301 0.000 2.489 308 H HA -0.018 4.551 4.556 0.023 0.000 0.293 308 H C 2.219 177.134 175.328 -0.688 0.000 1.066 308 H CA 1.306 57.043 56.048 -0.519 0.000 1.305 308 H CB -0.421 29.210 29.762 -0.218 0.000 1.386 308 H HN 0.449 nan 8.280 nan 0.000 0.551 309 G N -0.467 108.201 108.800 -0.220 0.000 2.679 309 G HA2 -0.134 3.840 3.960 0.023 0.000 0.212 309 G HA3 -0.134 3.840 3.960 0.023 0.000 0.212 309 G C 1.446 176.271 174.900 -0.125 0.000 1.137 309 G CA 0.076 45.090 45.100 -0.142 0.000 0.787 309 G HN 0.242 nan 8.290 nan 0.000 0.534 310 L N 0.269 121.388 121.223 -0.172 0.000 2.093 310 L HA 0.033 4.387 4.340 0.023 0.000 0.208 310 L C 2.267 179.259 176.870 0.203 0.000 1.085 310 L CA 1.279 56.178 54.840 0.099 0.000 0.755 310 L CB -0.462 41.715 42.059 0.196 0.000 0.904 310 L HN 0.596 nan 8.230 nan 0.000 0.435 311 Y N -4.709 115.689 120.300 0.163 0.000 2.468 311 Y HA 0.407 4.969 4.550 0.019 0.000 0.268 311 Y C 1.790 177.756 175.900 0.110 0.000 1.177 311 Y CA -0.052 58.144 58.100 0.160 0.000 1.265 311 Y CB -0.598 37.947 38.460 0.141 0.000 1.103 311 Y HN -0.057 nan 8.280 nan 0.000 0.522 312 S N 0.546 116.269 115.700 0.037 0.000 2.885 312 S HA 0.224 4.708 4.470 0.023 0.000 0.172 312 S C 2.046 176.674 174.600 0.047 0.000 0.703 312 S CA 0.326 58.554 58.200 0.047 0.000 0.820 312 S CB -0.753 62.444 63.200 -0.005 0.000 0.766 312 S HN 0.522 nan 8.310 nan 0.000 0.605 313 G N 0.299 109.115 108.800 0.027 0.000 2.551 313 G HA2 0.432 4.406 3.960 0.023 0.000 0.216 313 G HA3 0.432 4.406 3.960 0.023 0.000 0.216 313 G C 0.759 175.680 174.900 0.035 0.000 1.137 313 G CA 0.575 45.693 45.100 0.030 0.000 0.798 313 G HN 1.019 nan 8.290 nan 0.000 0.536 314 G N -0.460 108.370 108.800 0.051 0.000 2.632 314 G HA2 -0.186 3.788 3.960 0.023 0.000 0.224 314 G HA3 -0.186 3.788 3.960 0.023 0.000 0.224 314 G C -0.391 174.555 174.900 0.077 0.000 1.341 314 G CA -0.136 45.004 45.100 0.066 0.000 0.880 314 G HN 0.854 nan 8.290 nan 0.000 0.566 315 I N 0.247 120.858 120.570 0.069 0.000 2.355 315 I HA 0.591 4.775 4.170 0.023 0.000 0.288 315 I C 0.270 176.403 176.117 0.027 0.000 0.999 315 I CA -0.971 60.373 61.300 0.074 0.000 1.163 315 I CB 1.031 39.110 38.000 0.131 0.000 1.316 315 I HN 0.611 nan 8.210 nan 0.000 0.454 316 K N 7.469 127.890 120.400 0.034 0.000 2.379 316 K HA 0.487 4.820 4.320 0.023 0.000 0.284 316 K C -1.466 175.166 176.600 0.054 0.000 1.044 316 K CA 0.222 56.534 56.287 0.042 0.000 0.974 316 K CB 0.498 33.035 32.500 0.060 0.000 0.962 316 K HN 0.610 nan 8.250 nan 0.000 0.474 317 L N 5.594 126.824 121.223 0.012 0.000 2.341 317 L HA 0.584 4.938 4.340 0.023 0.000 0.254 317 L C -2.239 174.499 176.870 -0.221 0.000 1.040 317 L CA -2.725 52.068 54.840 -0.080 0.000 0.837 317 L CB 2.296 44.281 42.059 -0.123 0.000 1.425 317 L HN 0.636 nan 8.230 nan 0.000 0.414 318 P HA 0.016 nan 4.420 nan 0.000 0.267 318 P C 0.331 177.456 177.300 -0.290 0.000 1.205 318 P CA 0.050 62.736 63.100 -0.689 0.000 0.765 318 P CB 0.649 31.700 31.700 -1.082 0.000 0.828 319 T N 1.026 115.486 114.554 -0.156 0.000 2.918 319 T HA -0.193 4.170 4.350 0.023 0.000 0.271 319 T C 1.324 175.971 174.700 -0.089 0.000 1.104 319 T CA 1.737 63.786 62.100 -0.086 0.000 1.114 319 T CB -0.646 68.198 68.868 -0.040 0.000 0.855 319 T HN 0.475 nan 8.240 nan 0.000 0.518 320 D N 0.780 121.104 120.400 -0.126 0.000 2.144 320 D HA -0.075 4.578 4.640 0.023 0.000 0.199 320 D C 1.817 178.063 176.300 -0.091 0.000 0.984 320 D CA 0.704 54.643 54.000 -0.101 0.000 0.834 320 D CB -0.084 40.643 40.800 -0.122 0.000 0.955 320 D HN 0.255 nan 8.370 nan 0.000 0.465 321 I N 0.543 121.039 120.570 -0.123 0.000 2.480 321 I HA -0.120 4.063 4.170 0.023 0.000 0.251 321 I C 2.202 178.286 176.117 -0.055 0.000 1.124 321 I CA 0.413 61.660 61.300 -0.088 0.000 1.444 321 I CB -0.893 37.040 38.000 -0.111 0.000 1.098 321 I HN 0.110 nan 8.210 nan 0.000 0.428 322 I N 1.560 122.091 120.570 -0.066 0.000 2.208 322 I HA -0.233 3.951 4.170 0.023 0.000 0.245 322 I C 2.458 178.570 176.117 -0.009 0.000 1.097 322 I CA 1.714 62.991 61.300 -0.038 0.000 1.363 322 I CB -1.267 36.708 38.000 -0.043 0.000 1.051 322 I HN 0.290 nan 8.210 nan 0.000 0.413 323 S N -0.098 115.593 115.700 -0.015 0.000 2.660 323 S HA -0.006 4.477 4.470 0.023 0.000 0.228 323 S C 1.502 176.107 174.600 0.008 0.000 0.966 323 S CA 0.347 58.546 58.200 -0.001 0.000 0.940 323 S CB -0.138 63.058 63.200 -0.008 0.000 0.773 323 S HN 0.475 nan 8.310 nan 0.000 0.535 324 K N 0.835 121.240 120.400 0.010 0.000 2.403 324 K HA 0.366 4.700 4.320 0.023 0.000 0.199 324 K C 1.073 177.703 176.600 0.049 0.000 1.199 324 K CA 0.555 56.854 56.287 0.021 0.000 0.924 324 K CB 0.197 32.701 32.500 0.007 0.000 1.137 324 K HN 0.574 nan 8.250 nan 0.000 0.510 325 I N -1.437 119.171 120.570 0.063 0.000 3.626 325 I HA 0.316 4.499 4.170 0.023 0.000 0.345 325 I C 0.719 176.950 176.117 0.190 0.000 1.502 325 I CA -0.038 61.343 61.300 0.135 0.000 1.135 325 I CB 0.871 38.947 38.000 0.127 0.000 1.456 325 I HN -0.054 nan 8.210 nan 0.000 0.460 326 S N 1.928 117.703 115.700 0.124 0.000 3.265 326 S HA 0.302 4.785 4.470 0.023 0.000 0.259 326 S C -0.930 173.716 174.600 0.077 0.000 1.089 326 S CA 0.292 58.562 58.200 0.118 0.000 0.811 326 S CB -0.236 63.008 63.200 0.074 0.000 0.858 326 S HN 0.395 nan 8.310 nan 0.000 0.452 327 P HA 0.176 nan 4.420 nan 0.000 0.231 327 P C 0.063 177.389 177.300 0.043 0.000 1.168 327 P CA 0.269 63.394 63.100 0.041 0.000 0.779 327 P CB -0.471 31.249 31.700 0.032 0.000 0.844 328 L N 0.638 121.894 121.223 0.054 0.000 2.483 328 L HA 0.313 4.667 4.340 0.023 0.000 0.276 328 L C -2.276 174.631 176.870 0.061 0.000 1.213 328 L CA -2.212 52.665 54.840 0.061 0.000 0.843 328 L CB -1.977 40.121 42.059 0.066 0.000 1.107 328 L HN -0.121 nan 8.230 nan 0.000 0.487 329 P HA 0.029 nan 4.420 nan 0.000 0.266 329 P C 0.805 178.187 177.300 0.137 0.000 1.195 329 P CA 0.024 63.185 63.100 0.102 0.000 0.768 329 P CB 1.160 32.921 31.700 0.102 0.000 0.838 330 V N 1.134 121.094 119.914 0.076 0.000 0.421 330 V HA -0.318 3.816 4.120 0.023 0.000 0.092 330 V C 2.031 178.086 176.094 -0.064 0.000 2.633 330 V CA 2.208 64.547 62.300 0.064 0.000 3.758 330 V CB -1.870 30.069 31.823 0.194 0.000 1.024 330 V HN 0.451 nan 8.190 nan 0.000 1.077 331 L N 0.763 121.901 121.223 -0.142 0.000 2.240 331 L HA -0.044 4.310 4.340 0.023 0.000 0.211 331 L C 2.503 179.186 176.870 -0.311 0.000 1.106 331 L CA 2.529 57.105 54.840 -0.440 0.000 0.793 331 L CB -1.186 40.558 42.059 -0.525 0.000 0.927 331 L HN 0.858 nan 8.230 nan 0.000 0.446 332 K N -0.419 119.919 120.400 -0.104 0.000 2.442 332 K HA -0.140 4.194 4.320 0.023 0.000 0.198 332 K C 1.212 177.795 176.600 -0.028 0.000 1.044 332 K CA 0.977 57.249 56.287 -0.025 0.000 0.948 332 K CB 0.069 32.572 32.500 0.005 0.000 0.762 332 K HN 0.356 nan 8.250 nan 0.000 0.472 333 E N 0.928 121.088 120.200 -0.067 0.000 2.152 333 E HA 0.015 4.379 4.350 0.023 0.000 0.195 333 E C 2.164 178.729 176.600 -0.059 0.000 0.934 333 E CA 0.225 56.600 56.400 -0.043 0.000 0.869 333 E CB -0.038 29.643 29.700 -0.031 0.000 0.842 333 E HN 0.186 nan 8.360 nan 0.000 0.472 334 I N 1.591 122.076 120.570 -0.141 0.000 2.113 334 I HA -0.137 4.046 4.170 0.023 0.000 0.238 334 I C 1.191 177.311 176.117 0.004 0.000 1.070 334 I CA 0.821 62.041 61.300 -0.133 0.000 1.332 334 I CB -1.301 36.532 38.000 -0.278 0.000 1.044 334 I HN -0.112 nan 8.210 nan 0.000 0.402 335 F N 2.502 122.430 119.950 -0.036 0.000 2.538 335 F HA 0.216 4.743 4.527 0.001 0.000 0.371 335 F C 1.241 176.987 175.800 -0.090 0.000 1.087 335 F CA -0.297 57.648 58.000 -0.091 0.000 1.250 335 F CB -0.401 38.547 39.000 -0.087 0.000 1.110 335 F HN -0.033 nan 8.300 nan 0.000 0.570 336 R N 0.656 121.197 120.500 0.068 0.000 2.573 336 R HA 0.717 5.070 4.340 0.023 0.000 0.272 336 R C -0.019 176.267 176.300 -0.024 0.000 1.009 336 R CA -0.511 55.597 56.100 0.012 0.000 1.059 336 R CB 1.891 32.189 30.300 -0.003 0.000 1.112 336 R HN 0.791 nan 8.270 nan 0.000 0.517 337 T N -1.346 113.206 114.554 -0.004 0.000 2.686 337 T HA 0.042 4.405 4.350 0.023 0.000 0.308 337 T C -0.918 173.785 174.700 0.005 0.000 1.667 337 T CA -0.644 61.449 62.100 -0.011 0.000 0.987 337 T CB 1.448 70.312 68.868 -0.007 0.000 1.652 337 T HN 0.614 nan 8.240 nan 0.000 0.496 338 D N -0.800 119.603 120.400 0.004 0.000 2.597 338 D HA 0.366 5.020 4.640 0.023 0.000 0.261 338 D C 0.977 177.283 176.300 0.010 0.000 1.023 338 D CA 1.512 55.518 54.000 0.011 0.000 0.927 338 D CB 1.160 41.967 40.800 0.012 0.000 1.168 338 D HN 0.833 nan 8.370 nan 0.000 0.491 339 G N 0.692 109.496 108.800 0.007 0.000 2.693 339 G HA2 -0.019 3.955 3.960 0.023 0.000 0.119 339 G HA3 -0.019 3.955 3.960 0.023 0.000 0.119 339 G C -0.965 173.936 174.900 0.003 0.000 1.063 339 G CA -0.267 44.838 45.100 0.007 0.000 1.405 339 G HN 0.139 nan 8.290 nan 0.000 0.626 340 E N 1.878 122.080 120.200 0.005 0.000 2.129 340 E HA 0.437 4.801 4.350 0.023 0.000 0.283 340 E C -0.517 176.085 176.600 0.003 0.000 1.080 340 E CA -0.025 56.377 56.400 0.003 0.000 0.867 340 E CB -0.141 29.564 29.700 0.009 0.000 1.056 340 E HN 0.406 nan 8.360 nan 0.000 0.404 341 Q N 1.761 121.555 119.800 -0.009 0.000 2.455 341 Q HA -0.213 4.141 4.340 0.023 0.000 0.343 341 Q C -0.995 175.002 176.000 -0.004 0.000 1.458 341 Q CA 0.568 56.366 55.803 -0.010 0.000 0.923 341 Q CB -1.679 27.073 28.738 0.022 0.000 1.149 341 Q HN 0.558 nan 8.270 nan 0.000 0.357 342 A N 1.320 124.126 122.820 -0.023 0.000 3.208 342 A HA 0.395 4.729 4.320 0.023 0.000 0.252 342 A C -0.805 176.744 177.584 -0.058 0.000 1.225 342 A CA -0.658 51.366 52.037 -0.022 0.000 0.980 342 A CB 0.592 19.590 19.000 -0.004 0.000 1.414 342 A HN 0.348 nan 8.150 nan 0.000 0.721 343 L N 1.891 123.052 121.223 -0.104 0.000 2.485 343 L HA 0.395 4.749 4.340 0.023 0.000 0.279 343 L C 0.226 176.934 176.870 -0.270 0.000 1.124 343 L CA 0.712 55.418 54.840 -0.223 0.000 0.888 343 L CB -0.294 41.575 42.059 -0.317 0.000 1.217 343 L HN 0.460 nan 8.230 nan 0.000 0.464 344 K N 4.433 124.689 120.400 -0.241 0.000 2.132 344 K HA 0.564 4.898 4.320 0.023 0.000 0.241 344 K C -1.096 175.292 176.600 -0.352 0.000 1.000 344 K CA -0.545 55.648 56.287 -0.157 0.000 0.911 344 K CB 1.115 33.610 32.500 -0.008 0.000 1.093 344 K HN 0.295 nan 8.250 nan 0.000 0.460 345 F N 1.129 121.177 119.950 0.162 0.000 2.551 345 F HA 0.314 4.865 4.527 0.040 0.000 0.316 345 F C -2.152 173.777 175.800 0.216 0.000 1.089 345 F CA -2.457 55.665 58.000 0.203 0.000 0.915 345 F CB 1.775 40.946 39.000 0.285 0.000 1.186 345 F HN 0.309 nan 8.300 nan 0.000 0.456 346 P HA 0.129 nan 4.420 nan 0.000 0.271 346 P C -2.725 174.689 177.300 0.190 0.000 1.216 346 P CA -1.397 61.809 63.100 0.175 0.000 0.776 346 P CB 0.352 32.067 31.700 0.025 0.000 0.881 347 P HA 0.211 nan 4.420 nan 0.000 0.271 347 P C -2.579 174.596 177.300 -0.208 0.000 1.220 347 P CA -1.526 61.370 63.100 -0.339 0.000 0.768 347 P CB -0.644 30.945 31.700 -0.185 0.000 0.848 348 P HA 0.190 nan 4.420 nan 0.000 0.275 348 P C 1.110 178.249 177.300 -0.268 0.000 1.228 348 P CA -0.210 62.747 63.100 -0.239 0.000 0.786 348 P CB 0.560 31.964 31.700 -0.493 0.000 0.927 349 K N 1.288 121.529 120.400 -0.265 0.000 2.360 349 K HA -0.105 4.228 4.320 0.023 0.000 0.201 349 K C 1.597 178.021 176.600 -0.293 0.000 1.046 349 K CA 0.710 56.817 56.287 -0.300 0.000 0.940 349 K CB -0.392 31.837 32.500 -0.451 0.000 0.748 349 K HN 0.183 nan 8.250 nan 0.000 0.465 350 V N 1.934 121.662 119.914 -0.310 0.000 2.594 350 V HA -0.168 3.966 4.120 0.023 0.000 0.253 350 V C 1.604 177.652 176.094 -0.078 0.000 1.069 350 V CA 1.631 63.820 62.300 -0.185 0.000 1.082 350 V CB -0.221 31.513 31.823 -0.148 0.000 0.680 350 V HN 0.367 nan 8.190 nan 0.000 0.469 351 I N -3.093 117.410 120.570 -0.113 0.000 4.154 351 I HA 0.159 4.343 4.170 0.023 0.000 0.334 351 I C 1.803 177.928 176.117 0.014 0.000 1.371 351 I CA 0.406 61.707 61.300 0.001 0.000 1.110 351 I CB -0.699 37.330 38.000 0.049 0.000 1.085 351 I HN 0.262 nan 8.210 nan 0.000 0.398 352 Q N 1.281 121.053 119.800 -0.047 0.000 2.248 352 Q HA -0.101 4.253 4.340 0.023 0.000 0.208 352 Q C 2.107 178.117 176.000 0.017 0.000 0.984 352 Q CA 1.817 57.609 55.803 -0.018 0.000 0.875 352 Q CB 0.293 29.001 28.738 -0.050 0.000 0.910 352 Q HN 0.550 nan 8.270 nan 0.000 0.433 353 V N -1.263 118.663 119.914 0.019 0.000 2.627 353 V HA 0.049 4.182 4.120 0.023 0.000 0.239 353 V C 0.662 176.787 176.094 0.051 0.000 1.077 353 V CA 0.537 62.856 62.300 0.032 0.000 1.103 353 V CB 1.230 33.067 31.823 0.024 0.000 0.802 353 V HN 0.020 nan 8.190 nan 0.000 0.482 354 S N -0.758 114.981 115.700 0.064 0.000 2.532 354 S HA 0.453 4.937 4.470 0.023 0.000 0.299 354 S C 0.120 174.801 174.600 0.136 0.000 1.105 354 S CA -0.625 57.625 58.200 0.083 0.000 1.018 354 S CB 1.723 64.963 63.200 0.068 0.000 1.021 354 S HN 0.219 nan 8.310 nan 0.000 0.483 355 K N 1.785 122.284 120.400 0.166 0.000 2.393 355 K HA 0.173 4.506 4.320 0.023 0.000 0.193 355 K C 1.602 178.407 176.600 0.343 0.000 1.026 355 K CA 0.798 57.261 56.287 0.295 0.000 1.064 355 K CB 0.268 32.934 32.500 0.277 0.000 0.833 355 K HN 0.580 nan 8.250 nan 0.000 0.521 356 S N -1.029 114.770 115.700 0.166 0.000 2.506 356 S HA 0.237 4.721 4.470 0.023 0.000 0.219 356 S C 2.110 176.629 174.600 -0.136 0.000 1.031 356 S CA 0.126 58.331 58.200 0.010 0.000 0.911 356 S CB 0.248 63.431 63.200 -0.028 0.000 0.812 356 S HN 0.128 nan 8.310 nan 0.000 0.497 357 A N 2.871 125.694 122.820 0.006 0.000 2.032 357 A HA -0.110 4.223 4.320 0.023 0.000 0.221 357 A C 1.956 179.543 177.584 0.004 0.000 1.165 357 A CA 1.504 53.544 52.037 0.005 0.000 0.645 357 A CB -1.464 17.577 19.000 0.069 0.000 0.807 357 A HN 0.948 nan 8.150 nan 0.000 0.453 358 W N -1.124 120.187 121.300 0.018 0.000 2.392 358 W HA -0.082 4.592 4.660 0.025 0.000 0.279 358 W C 1.425 177.946 176.519 0.003 0.000 1.225 358 W CA 1.119 58.470 57.345 0.010 0.000 1.233 358 W CB -0.844 28.598 29.460 -0.030 0.000 1.122 358 W HN 0.294 nan 8.180 nan 0.000 0.561 359 M N 1.107 120.102 119.600 -1.008 0.000 2.562 359 M HA 0.006 4.500 4.480 0.023 0.000 0.257 359 M C 1.035 177.113 176.300 -0.370 0.000 1.099 359 M CA 0.843 55.558 55.300 -0.976 0.000 1.099 359 M CB -0.246 31.685 32.600 -1.115 0.000 1.427 359 M HN -0.235 nan 8.290 nan 0.000 0.489 360 T N 0.509 114.947 114.554 -0.193 0.000 2.907 360 T HA -0.009 4.355 4.350 0.023 0.000 0.298 360 T C 0.738 175.478 174.700 0.066 0.000 1.017 360 T CA -0.389 61.685 62.100 -0.043 0.000 1.118 360 T CB 0.735 69.596 68.868 -0.011 0.000 0.948 360 T HN 0.161 nan 8.240 nan 0.000 0.531 361 D N 2.200 122.679 120.400 0.131 0.000 2.149 361 D HA -0.121 4.532 4.640 0.023 0.000 0.198 361 D C 2.043 178.497 176.300 0.257 0.000 0.990 361 D CA 1.489 55.639 54.000 0.250 0.000 0.839 361 D CB 0.064 41.042 40.800 0.297 0.000 0.948 361 D HN 0.886 nan 8.370 nan 0.000 0.460 362 E N 0.581 120.879 120.200 0.163 0.000 2.153 362 E HA -0.209 4.154 4.350 0.023 0.000 0.194 362 E C 1.767 178.434 176.600 0.111 0.000 0.988 362 E CA 0.969 57.443 56.400 0.123 0.000 0.811 362 E CB -0.100 29.651 29.700 0.085 0.000 0.746 362 E HN 0.097 nan 8.360 nan 0.000 0.466 363 E N 0.933 121.211 120.200 0.129 0.000 2.112 363 E HA -0.138 4.225 4.350 0.023 0.000 0.190 363 E C 1.663 178.344 176.600 0.135 0.000 0.979 363 E CA 0.812 57.288 56.400 0.126 0.000 0.814 363 E CB -0.434 29.353 29.700 0.146 0.000 0.762 363 E HN 0.390 nan 8.360 nan 0.000 0.460 364 F N 0.761 120.729 119.950 0.030 0.000 2.126 364 F HA -0.124 4.417 4.527 0.022 0.000 0.299 364 F C 1.944 177.740 175.800 -0.007 0.000 1.096 364 F CA 2.000 60.007 58.000 0.012 0.000 1.255 364 F CB -0.624 38.382 39.000 0.009 0.000 0.997 364 F HN 0.099 nan 8.300 nan 0.000 0.479 365 A N 0.517 123.278 122.820 -0.099 0.000 1.930 365 A HA -0.083 4.251 4.320 0.023 0.000 0.215 365 A C 2.390 179.851 177.584 -0.206 0.000 1.176 365 A CA 1.161 53.067 52.037 -0.218 0.000 0.632 365 A CB -0.803 18.199 19.000 0.003 0.000 0.819 365 A HN 0.466 nan 8.150 nan 0.000 0.445 366 R N 0.163 120.597 120.500 -0.111 0.000 2.120 366 R HA -0.127 4.226 4.340 0.023 0.000 0.234 366 R C 1.499 177.702 176.300 -0.162 0.000 1.123 366 R CA 1.613 57.649 56.100 -0.107 0.000 0.975 366 R CB -0.217 30.073 30.300 -0.017 0.000 0.866 366 R HN 0.631 nan 8.270 nan 0.000 0.446 367 E N -0.200 119.877 120.200 -0.206 0.000 2.478 367 E HA -0.116 4.248 4.350 0.023 0.000 0.198 367 E C 1.582 177.999 176.600 -0.306 0.000 1.046 367 E CA 0.641 56.856 56.400 -0.307 0.000 0.870 367 E CB 0.106 29.582 29.700 -0.374 0.000 0.818 367 E HN 0.464 nan 8.360 nan 0.000 0.527 368 M N -0.306 119.110 119.600 -0.306 0.000 2.506 368 M HA 0.015 4.509 4.480 0.023 0.000 0.260 368 M C 1.648 177.773 176.300 -0.292 0.000 1.104 368 M CA 0.855 55.980 55.300 -0.292 0.000 1.112 368 M CB 0.347 32.753 32.600 -0.323 0.000 1.401 368 M HN 0.121 nan 8.290 nan 0.000 0.473 369 L N -1.467 119.567 121.223 -0.315 0.000 2.577 369 L HA 0.310 4.664 4.340 0.023 0.000 0.225 369 L C 1.820 178.627 176.870 -0.105 0.000 1.053 369 L CA 0.148 54.780 54.840 -0.346 0.000 0.866 369 L CB -0.011 41.737 42.059 -0.517 0.000 1.132 369 L HN 0.122 nan 8.230 nan 0.000 0.486 370 A N -0.097 122.622 122.820 -0.169 0.000 2.571 370 A HA 0.554 4.887 4.320 0.023 0.000 0.274 370 A C 0.887 178.498 177.584 0.045 0.000 1.196 370 A CA 0.260 52.168 52.037 -0.215 0.000 0.957 370 A CB -0.100 18.815 19.000 -0.142 0.000 1.150 370 A HN 0.240 nan 8.150 nan 0.000 0.539 371 G N -1.132 107.577 108.800 -0.152 0.000 2.574 371 G HA2 0.349 4.323 3.960 0.023 0.000 0.248 371 G HA3 0.349 4.323 3.960 0.023 0.000 0.248 371 G C 0.965 175.811 174.900 -0.090 0.000 1.422 371 G CA 0.508 45.361 45.100 -0.413 0.000 1.051 371 G HN 0.310 nan 8.290 nan 0.000 0.560 372 V N -0.145 119.641 119.914 -0.213 0.000 2.809 372 V HA 0.071 4.204 4.120 0.023 0.000 0.256 372 V C 0.590 176.549 176.094 -0.226 0.000 1.080 372 V CA 1.499 63.714 62.300 -0.141 0.000 1.102 372 V CB -0.328 31.323 31.823 -0.286 0.000 0.705 372 V HN 0.516 nan 8.190 nan 0.000 0.475 373 N N 0.215 118.794 118.700 -0.202 0.000 2.762 373 N HA 0.352 5.106 4.740 0.023 0.000 0.252 373 N C -2.461 172.999 175.510 -0.083 0.000 1.269 373 N CA -1.369 51.660 53.050 -0.035 0.000 0.799 373 N CB 1.678 40.182 38.487 0.029 0.000 1.173 373 N HN 0.188 nan 8.380 nan 0.000 0.516 374 P HA 0.305 nan 4.420 nan 0.000 0.269 374 P C -0.077 177.160 177.300 -0.104 0.000 1.478 374 P CA 0.053 63.067 63.100 -0.144 0.000 1.045 374 P CB 0.568 32.175 31.700 -0.154 0.000 1.512 375 N N -0.514 118.131 118.700 -0.091 0.000 2.299 375 N HA 0.112 4.865 4.740 0.023 0.000 0.187 375 N C 1.249 176.810 175.510 0.085 0.000 1.099 375 N CA 0.201 53.265 53.050 0.024 0.000 0.867 375 N CB -0.021 38.495 38.487 0.049 0.000 0.974 375 N HN 0.080 nan 8.380 nan 0.000 0.477 376 L N 0.494 121.740 121.223 0.037 0.000 2.221 376 L HA 0.284 4.638 4.340 0.023 0.000 0.202 376 L C 1.057 177.902 176.870 -0.041 0.000 1.074 376 L CA 0.163 54.991 54.840 -0.021 0.000 0.795 376 L CB -0.523 41.468 42.059 -0.113 0.000 0.960 376 L HN 0.118 nan 8.230 nan 0.000 0.458 377 I N 1.886 122.422 120.570 -0.055 0.000 3.017 377 I HA -0.177 4.007 4.170 0.023 0.000 0.310 377 I C 0.524 176.658 176.117 0.028 0.000 1.220 377 I CA 0.564 61.832 61.300 -0.053 0.000 1.450 377 I CB 0.217 38.120 38.000 -0.163 0.000 1.317 377 I HN 0.355 nan 8.210 nan 0.000 0.570 378 R N 6.003 126.559 120.500 0.093 0.000 2.740 378 R HA 0.444 4.797 4.340 0.023 0.000 0.273 378 R C -1.348 175.126 176.300 0.290 0.000 0.998 378 R CA -0.973 55.219 56.100 0.153 0.000 0.900 378 R CB 0.908 31.256 30.300 0.079 0.000 1.223 378 R HN 0.589 nan 8.270 nan 0.000 0.466 379 C N 3.292 122.774 119.300 0.303 0.000 2.629 379 C HA 0.262 4.735 4.460 0.023 0.000 0.410 379 C C 0.491 175.495 174.990 0.023 0.000 1.339 379 C CA -0.414 58.722 59.018 0.198 0.000 1.810 379 C CB -0.578 27.260 27.740 0.163 0.000 2.549 379 C HN 0.680 nan 8.230 nan 0.000 0.589 380 L N 7.807 128.979 121.223 -0.086 0.000 2.369 380 L HA 0.289 4.642 4.340 0.023 0.000 0.279 380 L C 0.974 177.826 176.870 -0.031 0.000 1.108 380 L CA 0.816 55.638 54.840 -0.029 0.000 0.852 380 L CB 0.284 42.339 42.059 -0.007 0.000 1.169 380 L HN 0.689 nan 8.230 nan 0.000 0.452 381 K N 2.608 123.010 120.400 0.003 0.000 2.172 381 K HA 0.140 4.474 4.320 0.023 0.000 0.203 381 K C 0.142 176.760 176.600 0.030 0.000 1.040 381 K CA 0.711 57.001 56.287 0.005 0.000 0.974 381 K CB -0.012 32.490 32.500 0.004 0.000 0.857 381 K HN 0.839 nan 8.250 nan 0.000 0.464 382 D N -1.014 119.411 120.400 0.042 0.000 2.384 382 D HA 0.263 4.917 4.640 0.023 0.000 0.250 382 D C -0.949 175.433 176.300 0.137 0.000 1.029 382 D CA -0.547 53.493 54.000 0.067 0.000 0.990 382 D CB 1.858 42.673 40.800 0.026 0.000 1.175 382 D HN -0.139 nan 8.370 nan 0.000 0.532 383 F N 0.568 120.497 119.950 -0.034 0.000 2.574 383 F HA 0.362 4.902 4.527 0.023 0.000 0.313 383 F C -2.398 173.378 175.800 -0.039 0.000 1.130 383 F CA -1.364 56.615 58.000 -0.035 0.000 0.936 383 F CB 2.015 40.997 39.000 -0.030 0.000 1.219 383 F HN 0.190 nan 8.300 nan 0.000 0.445 384 P HA 0.408 nan 4.420 nan 0.000 0.278 384 P C -2.969 174.052 177.300 -0.466 0.000 1.258 384 P CA -1.737 60.785 63.100 -0.964 0.000 0.811 384 P CB 0.598 31.819 31.700 -0.797 0.000 1.063 385 P HA 0.073 nan 4.420 nan 0.000 0.266 385 P C -0.047 177.130 177.300 -0.206 0.000 1.195 385 P CA 0.367 63.342 63.100 -0.208 0.000 0.768 385 P CB 0.342 31.949 31.700 -0.155 0.000 0.838 386 R N 0.785 121.197 120.500 -0.147 0.000 2.873 386 R HA 0.757 5.111 4.340 0.023 0.000 0.264 386 R C -0.110 176.124 176.300 -0.110 0.000 1.026 386 R CA -0.900 55.111 56.100 -0.148 0.000 1.002 386 R CB 1.026 31.250 30.300 -0.126 0.000 1.174 386 R HN 0.335 nan 8.270 nan 0.000 0.488 387 S N -0.287 115.342 115.700 -0.118 0.000 2.669 387 S HA 0.148 4.632 4.470 0.023 0.000 0.270 387 S C 0.353 174.922 174.600 -0.052 0.000 1.225 387 S CA -0.532 57.632 58.200 -0.060 0.000 0.991 387 S CB 1.145 64.318 63.200 -0.045 0.000 0.987 387 S HN 0.723 nan 8.310 nan 0.000 0.552 388 K N 1.630 122.031 120.400 0.002 0.000 2.414 388 K HA 0.429 4.762 4.320 0.023 0.000 0.204 388 K C -0.138 176.464 176.600 0.003 0.000 1.026 388 K CA 0.009 56.298 56.287 0.003 0.000 1.108 388 K CB -0.571 31.950 32.500 0.035 0.000 0.855 388 K HN 0.634 nan 8.250 nan 0.000 0.517 389 L N 0.429 121.640 121.223 -0.019 0.000 2.479 389 L HA 0.148 4.501 4.340 0.023 0.000 0.248 389 L C 1.220 178.035 176.870 -0.092 0.000 1.205 389 L CA -0.227 54.600 54.840 -0.021 0.000 0.817 389 L CB 0.283 42.358 42.059 0.028 0.000 1.162 389 L HN 0.254 nan 8.230 nan 0.000 0.486 390 D N -0.357 120.011 120.400 -0.054 0.000 2.206 390 D HA -0.047 4.607 4.640 0.023 0.000 0.272 390 D C 0.702 176.947 176.300 -0.093 0.000 1.196 390 D CA 0.494 54.462 54.000 -0.053 0.000 1.012 390 D CB 0.560 41.353 40.800 -0.011 0.000 1.139 390 D HN 0.567 nan 8.370 nan 0.000 0.522 391 S N -0.077 115.596 115.700 -0.046 0.000 3.009 391 S HA -0.016 4.468 4.470 0.023 0.000 0.243 391 S C 0.558 175.152 174.600 -0.009 0.000 1.012 391 S CA 0.057 58.236 58.200 -0.036 0.000 1.113 391 S CB -0.085 63.108 63.200 -0.012 0.000 0.827 391 S HN 0.237 nan 8.310 nan 0.000 0.495 392 Q N 1.067 120.857 119.800 -0.017 0.000 2.217 392 Q HA 0.372 4.725 4.340 0.023 0.000 0.226 392 Q C -0.179 175.952 176.000 0.218 0.000 0.875 392 Q CA -0.270 55.612 55.803 0.130 0.000 0.974 392 Q CB 0.018 28.935 28.738 0.299 0.000 1.079 392 Q HN 0.411 nan 8.270 nan 0.000 0.463 393 V N 1.948 121.900 119.914 0.064 0.000 5.195 393 V HA -0.317 3.817 4.120 0.023 0.000 0.361 393 V C -0.128 176.168 176.094 0.338 0.000 0.690 393 V CA 1.889 64.263 62.300 0.124 0.000 1.388 393 V CB -1.878 30.009 31.823 0.106 0.000 1.652 393 V HN 0.783 nan 8.190 nan 0.000 0.461 394 Y N 0.151 120.538 120.300 0.146 0.000 3.090 394 Y HA 0.169 4.732 4.550 0.023 0.000 0.356 394 Y C 1.368 177.285 175.900 0.029 0.000 0.921 394 Y CA 0.540 58.728 58.100 0.148 0.000 0.883 394 Y CB -1.028 37.517 38.460 0.142 0.000 1.315 394 Y HN 0.529 nan 8.280 nan 0.000 0.495 395 G N 0.893 109.298 108.800 -0.657 0.000 2.510 395 G HA2 0.021 3.995 3.960 0.023 0.000 0.212 395 G HA3 0.021 3.995 3.960 0.023 0.000 0.212 395 G C 0.932 175.696 174.900 -0.226 0.000 1.151 395 G CA 1.036 45.848 45.100 -0.481 0.000 0.817 395 G HN 0.366 nan 8.290 nan 0.000 0.534 396 D N -0.461 119.834 120.400 -0.175 0.000 2.137 396 D HA -0.010 4.644 4.640 0.023 0.000 0.202 396 D C 1.668 177.973 176.300 0.008 0.000 0.970 396 D CA 0.612 54.574 54.000 -0.063 0.000 0.837 396 D CB -0.348 40.432 40.800 -0.034 0.000 0.981 396 D HN 0.416 nan 8.370 nan 0.000 0.475 397 H N 0.686 119.719 119.070 -0.061 0.000 3.033 397 H HA -0.041 4.529 4.556 0.023 0.000 0.313 397 H C 0.520 175.823 175.328 -0.042 0.000 1.029 397 H CA 2.163 58.198 56.048 -0.022 0.000 1.259 397 H CB 0.466 30.244 29.762 0.027 0.000 1.630 397 H HN 0.229 nan 8.280 nan 0.000 0.830 398 T N -1.881 112.398 114.554 -0.458 0.000 2.655 398 T HA 0.067 4.430 4.350 0.023 0.000 0.242 398 T C -0.645 173.846 174.700 -0.348 0.000 2.144 398 T CA -0.278 61.565 62.100 -0.428 0.000 0.923 398 T CB 0.277 68.850 68.868 -0.492 0.000 2.308 398 T HN 0.471 nan 8.240 nan 0.000 0.359 399 S N -0.323 115.167 115.700 -0.351 0.000 2.549 399 S HA 0.446 4.929 4.470 0.023 0.000 0.297 399 S C -0.011 174.466 174.600 -0.206 0.000 1.115 399 S CA -0.528 57.528 58.200 -0.240 0.000 1.059 399 S CB 1.381 64.428 63.200 -0.255 0.000 1.046 399 S HN 0.606 nan 8.310 nan 0.000 0.506 400 Q N 2.584 122.345 119.800 -0.065 0.000 2.212 400 Q HA 0.241 4.594 4.340 0.023 0.000 0.213 400 Q C -0.254 175.741 176.000 -0.008 0.000 0.874 400 Q CA -0.299 55.509 55.803 0.007 0.000 0.965 400 Q CB 0.064 28.852 28.738 0.083 0.000 1.074 400 Q HN 0.605 nan 8.270 nan 0.000 0.473 401 I N 2.799 123.331 120.570 -0.065 0.000 2.821 401 I HA -0.089 4.095 4.170 0.023 0.000 0.294 401 I C 1.031 177.204 176.117 0.094 0.000 1.210 401 I CA 0.850 62.149 61.300 -0.000 0.000 1.430 401 I CB 0.170 38.138 38.000 -0.054 0.000 1.356 401 I HN 0.202 nan 8.210 nan 0.000 0.563 402 T N 3.700 118.333 114.554 0.132 0.000 2.800 402 T HA 0.025 4.389 4.350 0.023 0.000 0.266 402 T C 1.052 175.894 174.700 0.235 0.000 0.939 402 T CA -0.513 61.687 62.100 0.168 0.000 1.199 402 T CB 0.014 68.972 68.868 0.150 0.000 0.899 402 T HN 0.680 nan 8.240 nan 0.000 0.555 403 K N 1.841 122.401 120.400 0.266 0.000 2.365 403 K HA -0.063 4.270 4.320 0.023 0.000 0.199 403 K C 1.622 178.248 176.600 0.044 0.000 1.045 403 K CA 0.668 57.073 56.287 0.196 0.000 0.962 403 K CB 0.151 32.790 32.500 0.232 0.000 0.759 403 K HN 0.506 nan 8.250 nan 0.000 0.469 404 E N -0.061 120.182 120.200 0.072 0.000 2.358 404 E HA -0.067 4.297 4.350 0.023 0.000 0.195 404 E C -0.053 176.461 176.600 -0.144 0.000 1.010 404 E CA 0.755 57.147 56.400 -0.015 0.000 0.856 404 E CB 0.172 29.904 29.700 0.053 0.000 0.795 404 E HN 0.361 nan 8.360 nan 0.000 0.504 405 H N -0.270 118.795 119.070 -0.008 0.000 2.569 405 H HA 0.334 4.904 4.556 0.023 0.000 0.247 405 H C -0.975 174.336 175.328 -0.027 0.000 1.346 405 H CA -0.446 55.585 56.048 -0.027 0.000 1.502 405 H CB 0.380 30.127 29.762 -0.025 0.000 1.512 405 H HN -0.092 nan 8.280 nan 0.000 0.502 406 L N 1.788 122.998 121.223 -0.022 0.000 2.516 406 L HA 0.174 4.527 4.340 0.023 0.000 0.267 406 L C -0.394 176.377 176.870 -0.166 0.000 0.957 406 L CA -0.217 54.584 54.840 -0.066 0.000 0.860 406 L CB 1.523 43.533 42.059 -0.081 0.000 1.265 406 L HN 0.557 nan 8.230 nan 0.000 0.403 407 E N 3.079 123.164 120.200 -0.192 0.000 3.994 407 E HA -0.144 4.220 4.350 0.023 0.000 0.187 407 E C -2.232 174.266 176.600 -0.171 0.000 1.293 407 E CA -0.117 56.121 56.400 -0.270 0.000 0.951 407 E CB -0.627 28.830 29.700 -0.405 0.000 1.073 407 E HN 0.501 nan 8.360 nan 0.000 0.401 408 P HA -0.118 nan 4.420 nan 0.000 0.197 408 P C 1.051 178.311 177.300 -0.068 0.000 1.043 408 P CA 0.733 63.785 63.100 -0.079 0.000 0.815 408 P CB 0.096 31.756 31.700 -0.066 0.000 0.666 409 N N -0.261 118.413 118.700 -0.043 0.000 2.461 409 N HA -0.029 4.725 4.740 0.023 0.000 0.188 409 N C 0.564 176.070 175.510 -0.007 0.000 1.134 409 N CA 0.491 53.528 53.050 -0.023 0.000 0.878 409 N CB -0.237 38.244 38.487 -0.011 0.000 0.972 409 N HN 0.116 nan 8.380 nan 0.000 0.456 410 L N 1.313 122.528 121.223 -0.013 0.000 2.635 410 L HA 0.262 4.616 4.340 0.023 0.000 0.250 410 L C 0.598 177.455 176.870 -0.022 0.000 1.117 410 L CA -0.275 54.585 54.840 0.034 0.000 0.834 410 L CB 0.345 42.488 42.059 0.139 0.000 1.544 410 L HN 0.063 nan 8.230 nan 0.000 0.511 411 E N 0.446 120.674 120.200 0.047 0.000 3.225 411 E HA -0.170 4.193 4.350 0.023 0.000 0.289 411 E C 0.310 176.864 176.600 -0.076 0.000 0.885 411 E CA 0.813 57.227 56.400 0.022 0.000 0.986 411 E CB 0.143 29.945 29.700 0.169 0.000 0.971 411 E HN 0.736 nan 8.360 nan 0.000 0.508 412 G N 4.008 112.784 108.800 -0.040 0.000 3.562 412 G HA2 0.300 4.273 3.960 0.023 0.000 0.279 412 G HA3 0.300 4.273 3.960 0.023 0.000 0.279 412 G C 0.405 175.268 174.900 -0.061 0.000 1.314 412 G CA -0.296 44.768 45.100 -0.060 0.000 1.189 412 G HN 0.211 nan 8.290 nan 0.000 0.562 413 L N 0.622 121.801 121.223 -0.074 0.000 2.416 413 L HA 0.506 4.859 4.340 0.023 0.000 0.262 413 L C 1.121 177.925 176.870 -0.110 0.000 1.093 413 L CA -0.914 53.888 54.840 -0.064 0.000 0.801 413 L CB 1.405 43.452 42.059 -0.020 0.000 1.191 413 L HN 0.173 nan 8.230 nan 0.000 0.459 414 T N -2.487 112.008 114.554 -0.099 0.000 2.881 414 T HA 0.267 4.630 4.350 0.023 0.000 0.278 414 T C 1.024 175.626 174.700 -0.163 0.000 0.982 414 T CA -0.871 61.151 62.100 -0.129 0.000 0.989 414 T CB 1.502 70.308 68.868 -0.103 0.000 1.058 414 T HN 0.240 nan 8.240 nan 0.000 0.529 415 V N 0.983 120.760 119.914 -0.228 0.000 2.759 415 V HA -0.090 4.044 4.120 0.023 0.000 0.256 415 V C 2.127 178.076 176.094 -0.241 0.000 1.080 415 V CA 1.561 63.667 62.300 -0.325 0.000 1.101 415 V CB -0.804 30.663 31.823 -0.593 0.000 0.698 415 V HN 0.850 nan 8.190 nan 0.000 0.477 416 D N 0.086 120.387 120.400 -0.165 0.000 2.162 416 D HA -0.107 4.547 4.640 0.023 0.000 0.203 416 D C 2.063 178.320 176.300 -0.073 0.000 0.967 416 D CA 1.059 54.997 54.000 -0.103 0.000 0.840 416 D CB 0.180 40.935 40.800 -0.075 0.000 0.972 416 D HN 0.561 nan 8.370 nan 0.000 0.482 417 E N 1.042 121.201 120.200 -0.068 0.000 2.122 417 E HA 0.005 4.369 4.350 0.023 0.000 0.190 417 E C 2.174 178.759 176.600 -0.025 0.000 0.977 417 E CA 0.481 56.858 56.400 -0.039 0.000 0.820 417 E CB 0.060 29.742 29.700 -0.031 0.000 0.770 417 E HN 0.101 nan 8.360 nan 0.000 0.462 418 A N 1.391 124.193 122.820 -0.031 0.000 1.908 418 A HA -0.182 4.151 4.320 0.023 0.000 0.218 418 A C 2.156 179.725 177.584 -0.025 0.000 1.181 418 A CA 1.134 53.183 52.037 0.020 0.000 0.627 418 A CB -0.576 18.439 19.000 0.024 0.000 0.818 418 A HN 0.147 nan 8.150 nan 0.000 0.445 419 I N -0.833 119.699 120.570 -0.064 0.000 2.439 419 I HA -0.234 3.950 4.170 0.023 0.000 0.251 419 I C 2.762 178.846 176.117 -0.055 0.000 1.139 419 I CA 1.458 62.714 61.300 -0.074 0.000 1.438 419 I CB -0.314 37.650 38.000 -0.059 0.000 1.085 419 I HN 0.549 nan 8.210 nan 0.000 0.427 420 Q N 1.269 121.046 119.800 -0.038 0.000 2.079 420 Q HA -0.200 4.153 4.340 0.023 0.000 0.200 420 Q C 1.466 177.455 176.000 -0.019 0.000 0.974 420 Q CA 1.576 57.364 55.803 -0.025 0.000 0.840 420 Q CB 0.085 28.811 28.738 -0.020 0.000 0.898 420 Q HN 0.451 nan 8.270 nan 0.000 0.430 421 N N 0.800 119.491 118.700 -0.014 0.000 2.467 421 N HA 0.001 4.754 4.740 0.023 0.000 0.184 421 N C -0.527 174.975 175.510 -0.014 0.000 1.106 421 N CA 0.453 53.501 53.050 -0.003 0.000 0.892 421 N CB 0.237 38.733 38.487 0.015 0.000 0.969 421 N HN 0.191 nan 8.380 nan 0.000 0.454 422 K N -0.175 120.193 120.400 -0.054 0.000 3.372 422 K HA -0.195 4.139 4.320 0.023 0.000 0.272 422 K C 0.262 176.753 176.600 -0.182 0.000 1.037 422 K CA 0.220 56.437 56.287 -0.117 0.000 0.777 422 K CB -0.918 31.566 32.500 -0.026 0.000 1.347 422 K HN 0.274 nan 8.250 nan 0.000 0.460 423 R N -0.041 120.340 120.500 -0.199 0.000 2.365 423 R HA 0.241 4.595 4.340 0.023 0.000 0.223 423 R C 0.282 176.420 176.300 -0.271 0.000 0.899 423 R CA -0.007 56.000 56.100 -0.155 0.000 1.059 423 R CB 0.485 30.804 30.300 0.033 0.000 1.086 423 R HN 0.144 nan 8.270 nan 0.000 0.522 424 L N 1.273 122.209 121.223 -0.480 0.000 2.307 424 L HA 0.479 4.833 4.340 0.023 0.000 0.284 424 L C -0.833 175.566 176.870 -0.786 0.000 1.023 424 L CA -0.592 54.038 54.840 -0.351 0.000 0.810 424 L CB 1.175 43.184 42.059 -0.084 0.000 1.231 424 L HN -0.140 nan 8.230 nan 0.000 0.423 425 F N 2.998 123.003 119.950 0.093 0.000 2.631 425 F HA 0.693 5.234 4.527 0.023 0.000 0.328 425 F C -0.454 175.384 175.800 0.062 0.000 1.067 425 F CA -0.912 57.117 58.000 0.050 0.000 0.969 425 F CB 1.977 40.976 39.000 -0.001 0.000 1.332 425 F HN 0.160 nan 8.300 nan 0.000 0.490 426 L N 2.140 123.494 121.223 0.217 0.000 2.422 426 L HA 0.591 4.945 4.340 0.023 0.000 0.264 426 L C -2.020 174.885 176.870 0.057 0.000 0.984 426 L CA -0.532 54.381 54.840 0.123 0.000 0.819 426 L CB 2.085 44.191 42.059 0.078 0.000 1.330 426 L HN 0.574 nan 8.230 nan 0.000 0.410 427 L N 4.567 125.807 121.223 0.028 0.000 2.356 427 L HA 0.422 4.776 4.340 0.023 0.000 0.264 427 L C -1.148 175.670 176.870 -0.087 0.000 1.029 427 L CA -0.186 54.614 54.840 -0.067 0.000 0.897 427 L CB 0.935 42.973 42.059 -0.035 0.000 1.256 427 L HN 0.698 nan 8.230 nan 0.000 0.444 428 D N 2.763 123.071 120.400 -0.153 0.000 2.347 428 D HA 0.179 4.832 4.640 0.023 0.000 0.235 428 D C 0.398 176.582 176.300 -0.194 0.000 1.149 428 D CA 0.029 53.976 54.000 -0.088 0.000 0.850 428 D CB 0.612 41.392 40.800 -0.034 0.000 1.061 428 D HN 0.418 nan 8.370 nan 0.000 0.487 429 H N 2.162 121.294 119.070 0.104 0.000 2.567 429 H HA 0.033 4.602 4.556 0.023 0.000 0.267 429 H C 0.803 176.241 175.328 0.183 0.000 1.148 429 H CA -0.083 56.035 56.048 0.117 0.000 1.031 429 H CB 0.388 30.232 29.762 0.137 0.000 1.691 429 H HN 0.614 nan 8.280 nan 0.000 0.588 430 H N 1.030 120.217 119.070 0.194 0.000 2.284 430 H HA -0.092 4.477 4.556 0.023 0.000 0.304 430 H C 1.250 176.687 175.328 0.182 0.000 1.069 430 H CA 2.083 58.238 56.048 0.178 0.000 1.327 430 H CB 0.613 30.465 29.762 0.149 0.000 1.387 430 H HN 0.122 nan 8.280 nan 0.000 0.498 431 D N 0.100 120.697 120.400 0.328 0.000 2.117 431 D HA -0.101 4.552 4.640 0.023 0.000 0.197 431 D C -0.518 175.885 176.300 0.173 0.000 0.987 431 D CA 1.235 55.395 54.000 0.267 0.000 0.829 431 D CB -1.580 39.369 40.800 0.248 0.000 0.961 431 D HN 0.437 nan 8.370 nan 0.000 0.460 432 P HA -0.065 nan 4.420 nan 0.000 0.215 432 P C 1.737 179.013 177.300 -0.040 0.000 1.153 432 P CA 0.703 63.877 63.100 0.124 0.000 0.853 432 P CB 0.156 32.033 31.700 0.295 0.000 0.788 433 I N -2.383 118.186 120.570 -0.001 0.000 2.852 433 I HA -0.106 4.078 4.170 0.023 0.000 0.264 433 I C 1.967 178.066 176.117 -0.030 0.000 1.179 433 I CA 0.565 61.813 61.300 -0.087 0.000 1.480 433 I CB -0.099 37.951 38.000 0.082 0.000 1.111 433 I HN -0.128 nan 8.210 nan 0.000 0.441 434 M N 2.580 122.154 119.600 -0.044 0.000 2.088 434 M HA -0.157 4.337 4.480 0.023 0.000 0.256 434 M C -0.881 175.385 176.300 -0.057 0.000 1.071 434 M CA 2.395 57.636 55.300 -0.099 0.000 1.097 434 M CB -1.688 30.836 32.600 -0.127 0.000 1.315 434 M HN 0.063 nan 8.290 nan 0.000 0.406 435 P HA -0.140 nan 4.420 nan 0.000 0.230 435 P C 0.467 177.630 177.300 -0.228 0.000 1.158 435 P CA 1.472 64.528 63.100 -0.074 0.000 0.769 435 P CB -0.259 31.421 31.700 -0.033 0.000 0.807 436 Y N -1.912 118.282 120.300 -0.176 0.000 2.481 436 Y HA 0.160 4.724 4.550 0.023 0.000 0.247 436 Y C 2.103 177.900 175.900 -0.173 0.000 1.151 436 Y CA -0.377 57.571 58.100 -0.254 0.000 1.238 436 Y CB -0.183 38.072 38.460 -0.341 0.000 1.179 436 Y HN -0.220 nan 8.280 nan 0.000 0.524 437 L N 1.509 122.730 121.223 -0.003 0.000 2.042 437 L HA -0.210 4.143 4.340 0.023 0.000 0.210 437 L C 2.617 179.480 176.870 -0.012 0.000 1.076 437 L CA 1.870 56.707 54.840 -0.006 0.000 0.749 437 L CB -0.550 41.472 42.059 -0.062 0.000 0.893 437 L HN 0.252 nan 8.230 nan 0.000 0.432 438 R N -1.135 119.323 120.500 -0.070 0.000 2.120 438 R HA -0.166 4.188 4.340 0.023 0.000 0.234 438 R C 2.260 178.601 176.300 0.068 0.000 1.123 438 R CA 1.493 57.589 56.100 -0.006 0.000 0.975 438 R CB -0.640 29.703 30.300 0.071 0.000 0.866 438 R HN 0.283 nan 8.270 nan 0.000 0.446 439 R N 0.507 121.030 120.500 0.039 0.000 2.093 439 R HA 0.138 4.492 4.340 0.023 0.000 0.224 439 R C 2.348 178.791 176.300 0.238 0.000 1.101 439 R CA 1.170 57.331 56.100 0.101 0.000 0.979 439 R CB -0.144 30.122 30.300 -0.057 0.000 0.877 439 R HN 0.230 nan 8.270 nan 0.000 0.441 440 I N 0.744 121.454 120.570 0.234 0.000 2.315 440 I HA -0.249 3.935 4.170 0.023 0.000 0.248 440 I C 1.173 177.375 176.117 0.142 0.000 1.117 440 I CA 1.354 62.809 61.300 0.259 0.000 1.404 440 I CB -0.201 37.944 38.000 0.241 0.000 1.071 440 I HN 0.239 nan 8.210 nan 0.000 0.419 441 N N 0.497 119.261 118.700 0.107 0.000 2.521 441 N HA 0.028 4.781 4.740 0.023 0.000 0.188 441 N C 1.403 176.954 175.510 0.069 0.000 1.146 441 N CA 0.386 53.479 53.050 0.072 0.000 0.893 441 N CB 0.166 38.737 38.487 0.140 0.000 0.975 441 N HN 0.289 nan 8.380 nan 0.000 0.451 442 A N 0.352 123.225 122.820 0.088 0.000 2.267 442 A HA 0.039 4.372 4.320 0.023 0.000 0.213 442 A C 1.486 179.101 177.584 0.052 0.000 1.192 442 A CA 0.243 52.327 52.037 0.078 0.000 0.851 442 A CB -0.088 18.970 19.000 0.097 0.000 0.881 442 A HN 0.292 nan 8.150 nan 0.000 0.494 443 T N -2.870 111.712 114.554 0.046 0.000 2.946 443 T HA 0.296 4.660 4.350 0.023 0.000 0.295 443 T C 1.235 175.925 174.700 -0.016 0.000 1.143 443 T CA 0.502 62.613 62.100 0.018 0.000 0.944 443 T CB 0.420 69.301 68.868 0.022 0.000 1.800 443 T HN 0.439 nan 8.240 nan 0.000 0.590 444 S N -0.928 114.755 115.700 -0.028 0.000 2.650 444 S HA 0.190 4.674 4.470 0.023 0.000 0.219 444 S C 0.418 174.975 174.600 -0.072 0.000 0.960 444 S CA -0.499 57.672 58.200 -0.049 0.000 0.925 444 S CB -0.846 62.329 63.200 -0.042 0.000 0.775 444 S HN 0.711 nan 8.310 nan 0.000 0.525 445 T N 3.087 117.603 114.554 -0.063 0.000 2.824 445 T HA 0.498 4.862 4.350 0.023 0.000 0.280 445 T C -0.675 173.941 174.700 -0.139 0.000 0.995 445 T CA -0.717 61.340 62.100 -0.072 0.000 1.009 445 T CB 1.253 70.117 68.868 -0.006 0.000 0.955 445 T HN 0.008 nan 8.240 nan 0.000 0.452 446 K N 2.278 122.543 120.400 -0.226 0.000 2.559 446 K HA 0.713 5.047 4.320 0.023 0.000 0.249 446 K C -0.647 175.855 176.600 -0.163 0.000 0.958 446 K CA -0.479 55.523 56.287 -0.477 0.000 0.901 446 K CB 1.844 33.615 32.500 -1.216 0.000 1.124 446 K HN 0.705 nan 8.250 nan 0.000 0.437 447 A N 2.867 125.683 122.820 -0.007 0.000 2.346 447 A HA 0.867 5.201 4.320 0.023 0.000 0.313 447 A C -1.350 176.230 177.584 -0.007 0.000 1.140 447 A CA -0.519 51.584 52.037 0.110 0.000 0.826 447 A CB 0.932 20.032 19.000 0.166 0.000 1.332 447 A HN 0.526 nan 8.150 nan 0.000 0.457 448 Y N -1.217 119.144 120.300 0.101 0.000 2.570 448 Y HA 0.608 5.171 4.550 0.022 0.000 0.345 448 Y C 0.471 176.396 175.900 0.040 0.000 1.014 448 Y CA -0.274 57.826 58.100 0.000 0.000 1.063 448 Y CB 2.255 40.629 38.460 -0.142 0.000 1.272 448 Y HN 0.853 nan 8.280 nan 0.000 0.477 449 A N 1.299 124.220 122.820 0.168 0.000 2.290 449 A HA 0.698 5.032 4.320 0.023 0.000 0.310 449 A C -0.192 177.500 177.584 0.180 0.000 1.202 449 A CA -0.288 51.798 52.037 0.082 0.000 0.837 449 A CB 0.077 18.935 19.000 -0.236 0.000 1.139 449 A HN 0.698 nan 8.150 nan 0.000 0.509 450 T N 0.232 114.934 114.554 0.247 0.000 2.926 450 T HA 0.855 5.218 4.350 0.023 0.000 0.289 450 T C -0.379 174.488 174.700 0.278 0.000 1.054 450 T CA -0.926 61.326 62.100 0.253 0.000 1.015 450 T CB 1.457 70.466 68.868 0.236 0.000 1.167 450 T HN 0.692 nan 8.240 nan 0.000 0.526 451 R N -0.153 120.483 120.500 0.226 0.000 2.566 451 R HA 0.650 5.004 4.340 0.023 0.000 0.271 451 R C -1.502 174.913 176.300 0.192 0.000 1.071 451 R CA -0.775 55.435 56.100 0.183 0.000 0.915 451 R CB 2.345 32.726 30.300 0.135 0.000 1.228 451 R HN 0.879 nan 8.270 nan 0.000 0.449 452 T N 2.851 117.519 114.554 0.190 0.000 3.031 452 T HA 0.447 4.811 4.350 0.023 0.000 0.305 452 T C -1.002 173.832 174.700 0.224 0.000 0.985 452 T CA -0.597 61.649 62.100 0.242 0.000 1.008 452 T CB 0.645 69.706 68.868 0.322 0.000 1.005 452 T HN 0.275 nan 8.240 nan 0.000 0.444 453 I N 5.361 126.079 120.570 0.246 0.000 2.395 453 I HA 0.507 4.690 4.170 0.023 0.000 0.289 453 I C -0.323 175.963 176.117 0.281 0.000 1.023 453 I CA -0.236 61.209 61.300 0.241 0.000 1.350 453 I CB 1.202 39.350 38.000 0.247 0.000 1.409 453 I HN 0.585 nan 8.210 nan 0.000 0.507 454 L N 6.389 127.783 121.223 0.285 0.000 2.341 454 L HA 0.570 4.924 4.340 0.023 0.000 0.267 454 L C -0.850 176.256 176.870 0.392 0.000 1.009 454 L CA -0.552 54.480 54.840 0.320 0.000 0.819 454 L CB 1.583 43.792 42.059 0.251 0.000 1.323 454 L HN 0.357 nan 8.230 nan 0.000 0.425 455 F N 2.235 122.303 119.950 0.197 0.000 2.507 455 F HA 0.613 5.153 4.527 0.023 0.000 0.325 455 F C -0.923 174.989 175.800 0.187 0.000 1.116 455 F CA -1.084 57.013 58.000 0.162 0.000 0.930 455 F CB 1.540 40.596 39.000 0.094 0.000 1.146 455 F HN 0.277 nan 8.300 nan 0.000 0.447 456 L N 6.855 127.772 121.223 -0.509 0.000 2.315 456 L HA 0.366 4.720 4.340 0.023 0.000 0.283 456 L C -0.493 175.813 176.870 -0.939 0.000 1.089 456 L CA 0.151 54.724 54.840 -0.445 0.000 0.833 456 L CB 0.064 42.073 42.059 -0.082 0.000 1.170 456 L HN 0.648 nan 8.230 nan 0.000 0.442 457 K N 3.298 123.411 120.400 -0.478 0.000 2.102 457 K HA 0.239 4.573 4.320 0.023 0.000 0.244 457 K C 0.967 177.477 176.600 -0.150 0.000 1.021 457 K CA -0.113 56.010 56.287 -0.274 0.000 0.913 457 K CB 0.592 33.074 32.500 -0.031 0.000 1.062 457 K HN 0.600 nan 8.250 nan 0.000 0.485 458 N N 0.996 119.669 118.700 -0.045 0.000 2.223 458 N HA -0.181 4.572 4.740 0.023 0.000 0.185 458 N C 0.521 176.023 175.510 -0.013 0.000 1.016 458 N CA 1.446 54.486 53.050 -0.016 0.000 0.863 458 N CB -0.033 38.467 38.487 0.022 0.000 0.983 458 N HN 0.569 nan 8.380 nan 0.000 0.429 459 D N -0.930 119.466 120.400 -0.007 0.000 2.352 459 D HA 0.102 4.755 4.640 0.023 0.000 0.232 459 D C 1.329 177.623 176.300 -0.011 0.000 1.055 459 D CA 0.590 54.590 54.000 -0.000 0.000 0.891 459 D CB -0.314 40.493 40.800 0.012 0.000 0.897 459 D HN 0.256 nan 8.370 nan 0.000 0.529 460 G N -0.097 108.684 108.800 -0.031 0.000 2.268 460 G HA2 -0.298 3.675 3.960 0.023 0.000 0.240 460 G HA3 -0.298 3.675 3.960 0.023 0.000 0.240 460 G C 0.611 175.479 174.900 -0.052 0.000 1.010 460 G CA 0.491 45.568 45.100 -0.039 0.000 0.618 460 G HN 0.837 nan 8.290 nan 0.000 0.516 461 T N -0.412 114.120 114.554 -0.037 0.000 2.868 461 T HA 0.672 5.035 4.350 0.023 0.000 0.292 461 T C 0.271 174.943 174.700 -0.046 0.000 1.028 461 T CA -0.300 61.781 62.100 -0.031 0.000 1.059 461 T CB 2.272 71.143 68.868 0.006 0.000 0.991 461 T HN 0.754 nan 8.240 nan 0.000 0.531 462 L N 1.263 122.462 121.223 -0.040 0.000 2.360 462 L HA 0.659 5.013 4.340 0.023 0.000 0.271 462 L C 0.314 177.229 176.870 0.074 0.000 1.057 462 L CA -0.469 54.360 54.840 -0.019 0.000 0.803 462 L CB 1.275 43.285 42.059 -0.083 0.000 1.207 462 L HN 0.888 nan 8.230 nan 0.000 0.445 463 R N 4.447 125.040 120.500 0.155 0.000 2.512 463 R HA 0.416 4.769 4.340 0.023 0.000 0.291 463 R C -2.829 173.657 176.300 0.310 0.000 1.097 463 R CA -1.552 54.688 56.100 0.233 0.000 0.940 463 R CB 2.121 32.563 30.300 0.237 0.000 1.198 463 R HN 0.375 nan 8.270 nan 0.000 0.429 464 P HA 0.025 nan 4.420 nan 0.000 0.271 464 P C -0.073 177.475 177.300 0.412 0.000 1.233 464 P CA -0.255 63.134 63.100 0.483 0.000 0.764 464 P CB 1.066 33.203 31.700 0.727 0.000 0.825 465 L N 3.293 124.719 121.223 0.338 0.000 2.316 465 L HA 0.369 4.722 4.340 0.023 0.000 0.207 465 L C 1.128 178.118 176.870 0.200 0.000 1.070 465 L CA 1.030 55.995 54.840 0.207 0.000 0.820 465 L CB -0.651 41.505 42.059 0.161 0.000 0.992 465 L HN 0.498 nan 8.230 nan 0.000 0.466 466 A N -0.918 122.100 122.820 0.329 0.000 2.577 466 A HA 0.660 4.994 4.320 0.023 0.000 0.297 466 A C -1.390 176.438 177.584 0.406 0.000 1.060 466 A CA -0.337 51.906 52.037 0.344 0.000 0.697 466 A CB 1.010 20.144 19.000 0.223 0.000 1.281 466 A HN -0.050 nan 8.150 nan 0.000 0.402 467 I N 1.374 122.217 120.570 0.455 0.000 2.436 467 I HA 0.380 4.564 4.170 0.023 0.000 0.289 467 I C -0.094 176.203 176.117 0.300 0.000 1.010 467 I CA -0.244 61.256 61.300 0.334 0.000 1.098 467 I CB 2.030 40.160 38.000 0.218 0.000 1.266 467 I HN 0.816 nan 8.210 nan 0.000 0.434 468 E N 7.717 128.045 120.200 0.212 0.000 2.113 468 E HA 0.414 4.778 4.350 0.023 0.000 0.273 468 E C -1.390 175.288 176.600 0.131 0.000 0.924 468 E CA -0.615 55.886 56.400 0.168 0.000 0.764 468 E CB 1.118 30.891 29.700 0.121 0.000 1.104 468 E HN 0.553 nan 8.360 nan 0.000 0.406 469 L N 3.811 125.080 121.223 0.076 0.000 2.255 469 L HA 0.326 4.680 4.340 0.023 0.000 0.289 469 L C -0.233 176.635 176.870 -0.004 0.000 1.046 469 L CA -0.468 54.280 54.840 -0.153 0.000 0.816 469 L CB 1.362 42.982 42.059 -0.731 0.000 1.197 469 L HN 0.448 nan 8.230 nan 0.000 0.427 470 S N 4.096 119.878 115.700 0.137 0.000 2.537 470 S HA 0.737 5.221 4.470 0.023 0.000 0.301 470 S C -0.228 174.447 174.600 0.124 0.000 1.092 470 S CA -0.573 57.711 58.200 0.140 0.000 1.048 470 S CB 2.195 65.532 63.200 0.229 0.000 1.053 470 S HN 0.369 nan 8.310 nan 0.000 0.501 471 L N 3.119 124.364 121.223 0.036 0.000 2.279 471 L HA 0.658 5.012 4.340 0.023 0.000 0.262 471 L C -2.191 174.630 176.870 -0.080 0.000 1.019 471 L CA -2.391 52.420 54.840 -0.047 0.000 0.823 471 L CB 2.323 44.332 42.059 -0.084 0.000 1.358 471 L HN 0.415 nan 8.230 nan 0.000 0.432 472 P HA 0.139 nan 4.420 nan 0.000 0.284 472 P C -0.927 176.218 177.300 -0.258 0.000 1.287 472 P CA -0.297 62.605 63.100 -0.330 0.000 0.824 472 P CB 0.399 31.756 31.700 -0.571 0.000 1.180 473 H N -1.631 117.425 119.070 -0.023 0.000 1.736 473 H HA -0.109 4.461 4.556 0.023 0.000 0.327 473 H C -1.734 173.578 175.328 -0.028 0.000 0.823 473 H CA -0.826 55.213 56.048 -0.015 0.000 1.082 473 H CB -1.712 28.042 29.762 -0.013 0.000 1.537 473 H HN 0.241 nan 8.280 nan 0.000 0.284 474 P HA 0.010 nan 4.420 nan 0.000 0.266 474 P C -0.317 176.945 177.300 -0.063 0.000 1.419 474 P CA 0.295 63.360 63.100 -0.057 0.000 1.112 474 P CB 0.283 31.850 31.700 -0.222 0.000 1.438 475 Q N 0.968 120.745 119.800 -0.038 0.000 2.479 475 Q HA -0.136 4.217 4.340 0.023 0.000 0.282 475 Q C 0.646 176.622 176.000 -0.041 0.000 1.279 475 Q CA 0.813 56.580 55.803 -0.060 0.000 0.815 475 Q CB -2.006 26.684 28.738 -0.080 0.000 1.204 475 Q HN 0.782 nan 8.270 nan 0.000 0.444 476 G N -1.020 107.765 108.800 -0.024 0.000 2.680 476 G HA2 0.320 4.294 3.960 0.023 0.000 0.092 476 G HA3 0.320 4.294 3.960 0.023 0.000 0.092 476 G C -0.458 174.464 174.900 0.036 0.000 1.097 476 G CA 0.600 45.695 45.100 -0.007 0.000 1.368 476 G HN 0.182 nan 8.290 nan 0.000 0.619 477 D N -1.895 118.574 120.400 0.116 0.000 3.633 477 D HA -0.025 4.628 4.640 0.023 0.000 0.526 477 D C 0.203 176.587 176.300 0.140 0.000 0.373 477 D CA 0.345 54.446 54.000 0.168 0.000 0.958 477 D CB -0.546 40.330 40.800 0.127 0.000 1.418 477 D HN 0.375 nan 8.370 nan 0.000 0.228 478 Q N 0.531 120.391 119.800 0.100 0.000 2.235 478 Q HA 0.532 4.885 4.340 0.023 0.000 0.250 478 Q C -0.247 175.814 176.000 0.102 0.000 0.909 478 Q CA 0.155 56.017 55.803 0.099 0.000 0.910 478 Q CB 1.749 30.521 28.738 0.056 0.000 1.223 478 Q HN 0.147 nan 8.270 nan 0.000 0.432 479 S N 0.554 116.332 115.700 0.130 0.000 3.667 479 S HA -0.149 4.335 4.470 0.023 0.000 0.405 479 S C -0.475 174.200 174.600 0.124 0.000 0.913 479 S CA 0.333 58.602 58.200 0.116 0.000 1.288 479 S CB -1.126 62.105 63.200 0.051 0.000 0.905 479 S HN 0.889 nan 8.310 nan 0.000 0.550 480 G N 0.591 109.506 108.800 0.191 0.000 2.687 480 G HA2 0.849 4.823 3.960 0.023 0.000 0.301 480 G HA3 0.849 4.823 3.960 0.023 0.000 0.301 480 G C -0.378 174.510 174.900 -0.021 0.000 1.416 480 G CA 0.055 45.215 45.100 0.099 0.000 1.005 480 G HN 1.619 nan 8.290 nan 0.000 0.509 481 A N 1.970 124.795 122.820 0.008 0.000 1.959 481 A HA 0.312 4.646 4.320 0.023 0.000 0.239 481 A C -0.796 176.885 177.584 0.161 0.000 1.707 481 A CA -0.695 51.331 52.037 -0.018 0.000 1.784 481 A CB -0.673 18.332 19.000 0.009 0.000 0.844 481 A HN 1.328 nan 8.150 nan 0.000 0.888 482 F N 2.903 122.839 119.950 -0.023 0.000 2.604 482 F HA 0.397 4.937 4.527 0.023 0.000 0.337 482 F C 0.402 176.224 175.800 0.038 0.000 1.294 482 F CA 0.089 58.090 58.000 0.002 0.000 1.066 482 F CB -0.589 38.397 39.000 -0.022 0.000 1.391 482 F HN 0.356 nan 8.300 nan 0.000 0.652 483 S N 4.503 120.286 115.700 0.138 0.000 2.646 483 S HA 0.672 5.155 4.470 0.023 0.000 0.276 483 S C -0.620 173.932 174.600 -0.080 0.000 1.222 483 S CA -0.655 57.560 58.200 0.024 0.000 1.014 483 S CB 1.821 65.073 63.200 0.086 0.000 0.991 483 S HN 0.576 nan 8.310 nan 0.000 0.533 484 Q N 0.547 120.297 119.800 -0.083 0.000 2.309 484 Q HA 0.561 4.915 4.340 0.023 0.000 0.273 484 Q C -1.576 174.347 176.000 -0.128 0.000 1.040 484 Q CA -0.553 55.147 55.803 -0.172 0.000 0.834 484 Q CB 2.429 31.082 28.738 -0.142 0.000 1.345 484 Q HN 0.479 nan 8.270 nan 0.000 0.414 485 V N 3.035 122.774 119.914 -0.293 0.000 2.378 485 V HA 0.684 4.818 4.120 0.023 0.000 0.288 485 V C -1.666 174.230 176.094 -0.329 0.000 1.016 485 V CA -0.319 61.901 62.300 -0.133 0.000 0.840 485 V CB 0.307 32.110 31.823 -0.034 0.000 0.994 485 V HN 0.628 nan 8.190 nan 0.000 0.431 486 F N 6.273 126.280 119.950 0.096 0.000 2.422 486 F HA 0.690 5.231 4.527 0.023 0.000 0.333 486 F C 0.217 176.158 175.800 0.234 0.000 1.095 486 F CA -0.776 57.323 58.000 0.166 0.000 1.038 486 F CB 1.628 40.768 39.000 0.233 0.000 1.156 486 F HN 0.314 nan 8.300 nan 0.000 0.483 487 L N 3.738 125.057 121.223 0.159 0.000 2.322 487 L HA 0.554 4.908 4.340 0.023 0.000 0.269 487 L C -2.311 174.080 176.870 -0.799 0.000 1.012 487 L CA -2.270 52.439 54.840 -0.218 0.000 0.815 487 L CB 1.981 43.927 42.059 -0.187 0.000 1.295 487 L HN 0.337 nan 8.230 nan 0.000 0.438 488 P HA 0.226 nan 4.420 nan 0.000 0.271 488 P C -1.251 175.565 177.300 -0.807 0.000 1.216 488 P CA -0.097 61.882 63.100 -1.868 0.000 0.771 488 P CB 1.363 32.338 31.700 -1.209 0.000 0.864 489 A N 2.405 124.851 122.820 -0.624 0.000 2.549 489 A HA 0.438 4.772 4.320 0.023 0.000 0.297 489 A C 0.422 177.931 177.584 -0.124 0.000 1.061 489 A CA -0.572 51.321 52.037 -0.239 0.000 0.690 489 A CB 1.161 20.092 19.000 -0.115 0.000 1.287 489 A HN 0.604 nan 8.150 nan 0.000 0.402 490 D N 0.502 120.859 120.400 -0.071 0.000 2.398 490 D HA 0.084 4.737 4.640 0.023 0.000 0.210 490 D C 0.127 176.418 176.300 -0.017 0.000 1.094 490 D CA 0.571 54.553 54.000 -0.030 0.000 0.839 490 D CB 0.559 41.341 40.800 -0.031 0.000 0.963 490 D HN 0.777 nan 8.370 nan 0.000 0.506 491 E N -0.554 119.637 120.200 -0.015 0.000 2.423 491 E HA 0.452 4.816 4.350 0.023 0.000 0.280 491 E C 0.002 176.601 176.600 -0.002 0.000 1.030 491 E CA -0.931 55.463 56.400 -0.010 0.000 0.812 491 E CB 1.630 31.323 29.700 -0.012 0.000 1.313 491 E HN 0.003 nan 8.360 nan 0.000 0.456 492 G N -0.212 108.586 108.800 -0.004 0.000 2.877 492 G HA2 -0.255 3.719 3.960 0.023 0.000 0.279 492 G HA3 -0.255 3.719 3.960 0.023 0.000 0.279 492 G C 0.732 175.630 174.900 -0.004 0.000 1.431 492 G CA -0.201 44.900 45.100 0.002 0.000 0.883 492 G HN 0.930 nan 8.290 nan 0.000 0.547 493 V N -0.162 119.742 119.914 -0.015 0.000 2.527 493 V HA -0.230 3.904 4.120 0.023 0.000 0.255 493 V C 2.618 178.698 176.094 -0.023 0.000 1.081 493 V CA 3.148 65.400 62.300 -0.080 0.000 1.092 493 V CB -0.954 30.761 31.823 -0.180 0.000 0.673 493 V HN 0.781 nan 8.190 nan 0.000 0.470 494 E N 1.623 121.850 120.200 0.044 0.000 2.153 494 E HA -0.161 4.202 4.350 0.023 0.000 0.194 494 E C 2.360 179.026 176.600 0.110 0.000 0.988 494 E CA 1.530 57.984 56.400 0.090 0.000 0.811 494 E CB -0.476 29.262 29.700 0.064 0.000 0.746 494 E HN 0.831 nan 8.360 nan 0.000 0.466 495 S N -0.520 115.224 115.700 0.074 0.000 2.425 495 S HA 0.024 4.508 4.470 0.023 0.000 0.225 495 S C 2.055 176.724 174.600 0.115 0.000 1.024 495 S CA 0.691 58.958 58.200 0.111 0.000 0.951 495 S CB -0.097 63.133 63.200 0.050 0.000 0.796 495 S HN 0.065 nan 8.310 nan 0.000 0.498 496 S N 1.791 117.519 115.700 0.047 0.000 2.406 496 S HA 0.205 4.688 4.470 0.023 0.000 0.228 496 S C 1.703 176.335 174.600 0.054 0.000 1.020 496 S CA 0.935 59.150 58.200 0.025 0.000 0.965 496 S CB -0.435 62.747 63.200 -0.029 0.000 0.798 496 S HN 0.490 nan 8.310 nan 0.000 0.488 497 I N 0.384 120.998 120.570 0.072 0.000 2.202 497 I HA -0.183 4.000 4.170 0.023 0.000 0.242 497 I C 2.337 178.532 176.117 0.130 0.000 1.091 497 I CA 1.112 62.471 61.300 0.098 0.000 1.368 497 I CB -0.294 37.810 38.000 0.174 0.000 1.058 497 I HN 0.516 nan 8.210 nan 0.000 0.410 498 W N 1.656 122.951 121.300 -0.007 0.000 2.358 498 W HA -0.271 4.403 4.660 0.023 0.000 0.303 498 W C 2.334 178.806 176.519 -0.078 0.000 1.208 498 W CA 1.054 58.380 57.345 -0.031 0.000 1.274 498 W CB -0.085 29.364 29.460 -0.018 0.000 1.138 498 W HN 0.145 nan 8.180 nan 0.000 0.515 499 L N 1.198 122.394 121.223 -0.045 0.000 2.046 499 L HA -0.210 4.144 4.340 0.023 0.000 0.208 499 L C 2.283 179.116 176.870 -0.062 0.000 1.077 499 L CA 1.732 56.491 54.840 -0.135 0.000 0.747 499 L CB -1.270 40.766 42.059 -0.038 0.000 0.896 499 L HN -0.079 nan 8.230 nan 0.000 0.432 500 L N -0.240 120.976 121.223 -0.011 0.000 2.141 500 L HA -0.048 4.306 4.340 0.023 0.000 0.209 500 L C 2.658 179.390 176.870 -0.231 0.000 1.094 500 L CA 1.787 56.572 54.840 -0.091 0.000 0.763 500 L CB -1.557 40.485 42.059 -0.028 0.000 0.908 500 L HN 0.352 nan 8.230 nan 0.000 0.437 501 A N -0.861 121.821 122.820 -0.231 0.000 1.933 501 A HA -0.222 4.112 4.320 0.023 0.000 0.218 501 A C 2.356 179.733 177.584 -0.345 0.000 1.175 501 A CA 1.621 53.492 52.037 -0.276 0.000 0.628 501 A CB -0.357 18.418 19.000 -0.375 0.000 0.814 501 A HN 0.382 nan 8.150 nan 0.000 0.444 502 K N -0.427 119.627 120.400 -0.577 0.000 2.103 502 K HA 0.039 4.373 4.320 0.023 0.000 0.204 502 K C 2.232 178.701 176.600 -0.218 0.000 1.052 502 K CA 0.892 56.810 56.287 -0.615 0.000 0.945 502 K CB -0.270 31.619 32.500 -1.019 0.000 0.722 502 K HN 0.426 nan 8.250 nan 0.000 0.443 503 A N 0.576 123.278 122.820 -0.196 0.000 2.019 503 A HA -0.170 4.163 4.320 0.023 0.000 0.219 503 A C 1.677 179.117 177.584 -0.241 0.000 1.164 503 A CA 1.263 53.183 52.037 -0.195 0.000 0.644 503 A CB -0.564 18.228 19.000 -0.346 0.000 0.805 503 A HN 0.248 nan 8.150 nan 0.000 0.449 504 Y N -0.678 119.579 120.300 -0.071 0.000 2.263 504 Y HA -0.085 4.479 4.550 0.023 0.000 0.292 504 Y C 2.580 178.496 175.900 0.027 0.000 1.130 504 Y CA 1.068 59.163 58.100 -0.009 0.000 1.179 504 Y CB -0.586 37.850 38.460 -0.040 0.000 0.998 504 Y HN 0.093 nan 8.280 nan 0.000 0.532 505 V N -1.146 118.867 119.914 0.165 0.000 2.358 505 V HA -0.234 3.900 4.120 0.023 0.000 0.246 505 V C 2.198 178.372 176.094 0.135 0.000 1.047 505 V CA 1.567 63.984 62.300 0.195 0.000 1.035 505 V CB -0.811 31.186 31.823 0.289 0.000 0.658 505 V HN 0.204 nan 8.190 nan 0.000 0.452 506 V N -0.361 119.630 119.914 0.127 0.000 2.427 506 V HA -0.187 3.947 4.120 0.023 0.000 0.248 506 V C 2.413 178.507 176.094 0.001 0.000 1.051 506 V CA 1.602 63.947 62.300 0.073 0.000 1.048 506 V CB -0.365 31.511 31.823 0.090 0.000 0.666 506 V HN 0.412 nan 8.190 nan 0.000 0.456 507 V N 0.681 120.592 119.914 -0.006 0.000 2.490 507 V HA -0.293 3.841 4.120 0.023 0.000 0.250 507 V C 2.077 178.165 176.094 -0.009 0.000 1.061 507 V CA 2.416 64.708 62.300 -0.014 0.000 1.064 507 V CB -1.027 30.797 31.823 0.003 0.000 0.670 507 V HN 0.639 nan 8.190 nan 0.000 0.461 508 N N -0.145 118.540 118.700 -0.025 0.000 2.171 508 N HA -0.185 4.569 4.740 0.023 0.000 0.184 508 N C 1.674 176.965 175.510 -0.365 0.000 1.021 508 N CA 1.395 54.368 53.050 -0.129 0.000 0.854 508 N CB -0.112 38.265 38.487 -0.182 0.000 0.994 508 N HN 0.553 nan 8.380 nan 0.000 0.426 509 D N -0.078 120.104 120.400 -0.364 0.000 2.117 509 D HA -0.038 4.616 4.640 0.023 0.000 0.198 509 D C 1.735 178.062 176.300 0.045 0.000 0.982 509 D CA 0.967 54.883 54.000 -0.139 0.000 0.828 509 D CB 0.164 41.002 40.800 0.062 0.000 0.967 509 D HN 0.013 nan 8.370 nan 0.000 0.464 510 S N -0.876 114.833 115.700 0.015 0.000 2.368 510 S HA -0.195 4.288 4.470 0.023 0.000 0.225 510 S C 2.131 176.776 174.600 0.075 0.000 1.030 510 S CA 0.920 59.175 58.200 0.091 0.000 0.999 510 S CB -0.462 62.806 63.200 0.113 0.000 0.844 510 S HN 0.540 nan 8.310 nan 0.000 0.459 511 C N 0.366 119.622 119.300 -0.073 0.000 2.475 511 C HA 0.043 4.517 4.460 0.023 0.000 0.279 511 C C 2.289 176.823 174.990 -0.760 0.000 1.322 511 C CA 0.247 59.001 59.018 -0.440 0.000 1.734 511 C CB -1.335 26.023 27.740 -0.637 0.000 2.005 511 C HN 0.682 nan 8.230 nan 0.000 0.495 512 Y N 0.357 120.360 120.300 -0.495 0.000 2.200 512 Y HA -0.167 4.396 4.550 0.023 0.000 0.290 512 Y C 2.714 178.568 175.900 -0.077 0.000 1.137 512 Y CA 2.372 60.344 58.100 -0.214 0.000 1.163 512 Y CB -0.863 37.724 38.460 0.211 0.000 0.988 512 Y HN 0.552 nan 8.280 nan 0.000 0.518 513 H N -0.340 118.718 119.070 -0.020 0.000 2.293 513 H HA -0.197 4.372 4.556 0.022 0.000 0.300 513 H C 2.068 177.323 175.328 -0.122 0.000 1.082 513 H CA 2.031 58.069 56.048 -0.016 0.000 1.308 513 H CB -0.124 29.654 29.762 0.027 0.000 1.375 513 H HN 0.373 nan 8.280 nan 0.000 0.495 514 Q N 0.453 120.053 119.800 -0.334 0.000 2.030 514 Q HA -0.090 4.264 4.340 0.023 0.000 0.204 514 Q C 2.475 178.247 176.000 -0.380 0.000 0.986 514 Q CA 1.426 56.955 55.803 -0.457 0.000 0.843 514 Q CB -0.265 27.907 28.738 -0.942 0.000 0.904 514 Q HN 0.399 nan 8.270 nan 0.000 0.420 515 L N -0.948 120.011 121.223 -0.441 0.000 2.131 515 L HA 0.002 4.355 4.340 0.023 0.000 0.206 515 L C 2.070 178.894 176.870 -0.076 0.000 1.087 515 L CA 0.856 55.562 54.840 -0.223 0.000 0.767 515 L CB -0.840 41.086 42.059 -0.221 0.000 0.917 515 L HN 0.149 nan 8.230 nan 0.000 0.441 516 V N -1.414 118.337 119.914 -0.272 0.000 2.543 516 V HA -0.022 4.112 4.120 0.023 0.000 0.232 516 V C 2.371 178.379 176.094 -0.144 0.000 1.087 516 V CA 1.074 63.227 62.300 -0.244 0.000 1.113 516 V CB -0.435 31.003 31.823 -0.643 0.000 0.779 516 V HN 0.244 nan 8.190 nan 0.000 0.495 517 S N -0.489 115.116 115.700 -0.158 0.000 2.389 517 S HA -0.311 4.173 4.470 0.023 0.000 0.231 517 S C 1.778 176.378 174.600 -0.001 0.000 1.052 517 S CA 2.487 60.690 58.200 0.004 0.000 1.053 517 S CB -0.509 62.742 63.200 0.086 0.000 0.886 517 S HN 0.752 nan 8.310 nan 0.000 0.456 518 H N -1.099 117.825 119.070 -0.243 0.000 2.283 518 H HA -0.013 4.556 4.556 0.022 0.000 0.320 518 H C 2.214 177.595 175.328 0.088 0.000 1.074 518 H CA 0.596 56.564 56.048 -0.134 0.000 1.476 518 H CB -0.505 29.049 29.762 -0.346 0.000 1.465 518 H HN 0.519 nan 8.280 nan 0.000 0.573 519 W N 1.665 122.687 121.300 -0.463 0.000 2.332 519 W HA -0.239 4.435 4.660 0.022 0.000 0.321 519 W C 2.025 178.446 176.519 -0.164 0.000 1.219 519 W CA 1.396 58.502 57.345 -0.399 0.000 1.277 519 W CB -0.561 28.681 29.460 -0.362 0.000 1.161 519 W HN 0.353 nan 8.180 nan 0.000 0.476 520 L N 1.967 123.041 121.223 -0.249 0.000 1.973 520 L HA -0.128 4.226 4.340 0.023 0.000 0.208 520 L C 1.902 178.611 176.870 -0.268 0.000 1.073 520 L CA 2.477 57.097 54.840 -0.367 0.000 0.746 520 L CB -1.483 40.513 42.059 -0.105 0.000 0.891 520 L HN -0.023 nan 8.230 nan 0.000 0.433 521 N N -1.999 116.667 118.700 -0.058 0.000 2.609 521 N HA -0.101 4.653 4.740 0.023 0.000 0.190 521 N C 0.589 176.154 175.510 0.092 0.000 1.157 521 N CA 0.790 53.900 53.050 0.101 0.000 0.918 521 N CB 0.146 38.755 38.487 0.202 0.000 0.978 521 N HN 0.443 nan 8.380 nan 0.000 0.448 522 T N -1.503 113.037 114.554 -0.025 0.000 3.431 522 T HA 0.084 4.448 4.350 0.023 0.000 0.207 522 T C 1.230 175.826 174.700 -0.174 0.000 0.979 522 T CA -0.271 61.814 62.100 -0.025 0.000 1.141 522 T CB -0.130 68.802 68.868 0.108 0.000 1.278 522 T HN 0.096 nan 8.240 nan 0.000 0.334 523 H N 1.404 120.283 119.070 -0.317 0.000 2.265 523 H HA -0.049 4.521 4.556 0.022 0.000 0.295 523 H C 2.419 177.379 175.328 -0.614 0.000 1.084 523 H CA 1.848 57.621 56.048 -0.459 0.000 1.261 523 H CB -0.431 28.990 29.762 -0.568 0.000 1.360 523 H HN 0.388 nan 8.280 nan 0.000 0.487 524 A N 0.636 122.930 122.820 -0.877 0.000 1.858 524 A HA -0.113 4.221 4.320 0.023 0.000 0.216 524 A C 2.866 180.188 177.584 -0.436 0.000 1.190 524 A CA 1.650 53.197 52.037 -0.815 0.000 0.617 524 A CB -0.997 17.285 19.000 -1.196 0.000 0.827 524 A HN 0.219 nan 8.150 nan 0.000 0.443 525 V N -0.436 119.278 119.914 -0.334 0.000 2.392 525 V HA -0.218 3.916 4.120 0.023 0.000 0.249 525 V C 2.555 178.848 176.094 0.331 0.000 1.059 525 V CA 2.037 64.321 62.300 -0.026 0.000 1.051 525 V CB -0.386 31.426 31.823 -0.017 0.000 0.658 525 V HN 0.372 nan 8.190 nan 0.000 0.455 526 V N -0.472 119.562 119.914 0.199 0.000 2.548 526 V HA -0.215 3.919 4.120 0.023 0.000 0.249 526 V C 2.365 178.613 176.094 0.256 0.000 1.055 526 V CA 1.946 64.428 62.300 0.303 0.000 1.065 526 V CB -0.387 31.502 31.823 0.109 0.000 0.681 526 V HN 0.674 nan 8.190 nan 0.000 0.462 527 E N 0.382 120.623 120.200 0.068 0.000 2.097 527 E HA -0.237 4.127 4.350 0.023 0.000 0.196 527 E C -0.397 176.220 176.600 0.030 0.000 1.000 527 E CA 1.812 58.217 56.400 0.010 0.000 0.804 527 E CB -0.660 29.026 29.700 -0.023 0.000 0.740 527 E HN 0.489 nan 8.360 nan 0.000 0.454 528 P HA -0.113 nan 4.420 nan 0.000 0.218 528 P C 0.550 177.859 177.300 0.015 0.000 1.149 528 P CA 1.108 64.214 63.100 0.010 0.000 0.817 528 P CB -0.086 31.465 31.700 -0.250 0.000 0.785 529 F N -0.884 119.113 119.950 0.078 0.000 2.146 529 F HA -0.112 4.429 4.527 0.022 0.000 0.298 529 F C 2.243 177.973 175.800 -0.116 0.000 1.096 529 F CA 1.070 59.120 58.000 0.084 0.000 1.275 529 F CB -1.086 38.041 39.000 0.212 0.000 1.008 529 F HN -0.176 nan 8.300 nan 0.000 0.480 530 I N -0.009 120.422 120.570 -0.231 0.000 2.208 530 I HA -0.309 3.874 4.170 0.023 0.000 0.245 530 I C 2.224 178.205 176.117 -0.227 0.000 1.097 530 I CA 1.546 62.468 61.300 -0.631 0.000 1.363 530 I CB -0.573 37.100 38.000 -0.545 0.000 1.051 530 I HN 0.105 nan 8.210 nan 0.000 0.413 531 I N 0.794 121.304 120.570 -0.100 0.000 2.315 531 I HA -0.226 3.958 4.170 0.023 0.000 0.248 531 I C 2.798 178.850 176.117 -0.108 0.000 1.117 531 I CA 1.214 62.439 61.300 -0.125 0.000 1.404 531 I CB -0.461 37.335 38.000 -0.339 0.000 1.071 531 I HN 0.158 nan 8.210 nan 0.000 0.419 532 A N 0.414 123.273 122.820 0.065 0.000 1.898 532 A HA -0.173 4.160 4.320 0.023 0.000 0.216 532 A C 2.399 180.083 177.584 0.166 0.000 1.181 532 A CA 2.313 54.463 52.037 0.188 0.000 0.620 532 A CB -1.061 18.039 19.000 0.167 0.000 0.819 532 A HN 0.356 nan 8.150 nan 0.000 0.442 533 T N 0.585 115.232 114.554 0.155 0.000 2.674 533 T HA -0.160 4.204 4.350 0.023 0.000 0.265 533 T C 1.770 176.560 174.700 0.149 0.000 1.039 533 T CA 1.935 64.164 62.100 0.214 0.000 1.150 533 T CB -0.530 68.550 68.868 0.352 0.000 0.864 533 T HN 0.660 nan 8.240 nan 0.000 0.427 534 N N 0.270 118.942 118.700 -0.047 0.000 2.244 534 N HA 0.009 4.763 4.740 0.023 0.000 0.183 534 N C 2.027 177.394 175.510 -0.239 0.000 1.016 534 N CA 0.682 53.599 53.050 -0.222 0.000 0.866 534 N CB -0.032 37.844 38.487 -1.018 0.000 0.980 534 N HN 0.266 nan 8.380 nan 0.000 0.430 535 R N -0.823 119.532 120.500 -0.242 0.000 2.153 535 R HA 0.055 4.409 4.340 0.023 0.000 0.218 535 R C 0.893 176.884 176.300 -0.515 0.000 1.072 535 R CA 0.892 56.789 56.100 -0.339 0.000 0.990 535 R CB 0.126 30.204 30.300 -0.369 0.000 0.889 535 R HN 0.444 nan 8.270 nan 0.000 0.452 536 H N -1.915 117.175 119.070 0.034 0.000 3.205 536 H HA 0.177 4.747 4.556 0.023 0.000 0.252 536 H C -0.413 174.931 175.328 0.027 0.000 1.015 536 H CA -0.098 55.975 56.048 0.042 0.000 1.192 536 H CB 0.821 30.616 29.762 0.054 0.000 1.474 536 H HN -0.073 nan 8.280 nan 0.000 0.484 537 L N 1.994 123.298 121.223 0.136 0.000 2.265 537 L HA 0.219 4.573 4.340 0.023 0.000 0.289 537 L C 0.711 177.596 176.870 0.025 0.000 1.033 537 L CA -0.213 54.667 54.840 0.067 0.000 0.814 537 L CB 1.511 43.642 42.059 0.119 0.000 1.203 537 L HN -0.034 nan 8.230 nan 0.000 0.423 538 S N 1.875 117.545 115.700 -0.050 0.000 2.568 538 S HA 0.125 4.608 4.470 0.023 0.000 0.282 538 S C 1.679 175.972 174.600 -0.512 0.000 1.338 538 S CA -0.286 57.780 58.200 -0.223 0.000 1.045 538 S CB 0.774 63.868 63.200 -0.178 0.000 0.873 538 S HN 0.482 nan 8.310 nan 0.000 0.516 539 V N 4.244 123.692 119.914 -0.777 0.000 2.527 539 V HA -0.120 4.013 4.120 0.023 0.000 0.255 539 V C 2.018 177.855 176.094 -0.429 0.000 1.081 539 V CA 1.977 63.645 62.300 -1.053 0.000 1.092 539 V CB -1.278 30.270 31.823 -0.459 0.000 0.673 539 V HN 0.698 nan 8.190 nan 0.000 0.470 540 V N -0.227 119.511 119.914 -0.293 0.000 2.809 540 V HA -0.053 4.080 4.120 0.023 0.000 0.256 540 V C 1.493 177.540 176.094 -0.080 0.000 1.080 540 V CA 1.176 63.370 62.300 -0.176 0.000 1.102 540 V CB -1.100 30.576 31.823 -0.245 0.000 0.705 540 V HN 0.747 nan 8.190 nan 0.000 0.475 541 H N 2.022 121.024 119.070 -0.112 0.000 2.928 541 H HA 0.056 4.626 4.556 0.023 0.000 0.338 541 H C -1.042 174.284 175.328 -0.004 0.000 1.047 541 H CA -1.095 54.932 56.048 -0.033 0.000 1.435 541 H CB 1.280 31.068 29.762 0.044 0.000 1.428 541 H HN 0.033 nan 8.280 nan 0.000 0.590 542 P HA -0.223 nan 4.420 nan 0.000 0.216 542 P C 1.257 178.718 177.300 0.267 0.000 1.150 542 P CA 1.153 64.131 63.100 -0.204 0.000 0.837 542 P CB 0.364 31.423 31.700 -1.069 0.000 0.786 543 I N -1.546 119.340 120.570 0.526 0.000 2.439 543 I HA -0.183 4.001 4.170 0.023 0.000 0.251 543 I C 2.599 178.843 176.117 0.213 0.000 1.139 543 I CA 0.864 62.374 61.300 0.349 0.000 1.438 543 I CB -1.741 36.462 38.000 0.338 0.000 1.085 543 I HN -0.080 nan 8.210 nan 0.000 0.427 544 Y N 2.546 122.942 120.300 0.160 0.000 2.145 544 Y HA -0.244 4.320 4.550 0.023 0.000 0.286 544 Y C 2.467 178.409 175.900 0.071 0.000 1.145 544 Y CA 1.887 60.047 58.100 0.099 0.000 1.148 544 Y CB -0.148 38.365 38.460 0.088 0.000 0.981 544 Y HN 0.059 nan 8.280 nan 0.000 0.507 545 K N -0.473 120.109 120.400 0.304 0.000 2.211 545 K HA -0.124 4.210 4.320 0.023 0.000 0.203 545 K C 1.861 178.425 176.600 -0.060 0.000 1.050 545 K CA 1.187 57.605 56.287 0.217 0.000 0.945 545 K CB -0.253 32.508 32.500 0.436 0.000 0.732 545 K HN 0.316 nan 8.250 nan 0.000 0.451 546 L N 0.628 121.744 121.223 -0.178 0.000 2.131 546 L HA -0.067 4.286 4.340 0.023 0.000 0.206 546 L C 1.712 178.434 176.870 -0.247 0.000 1.087 546 L CA 1.389 55.962 54.840 -0.446 0.000 0.767 546 L CB -0.121 41.516 42.059 -0.704 0.000 0.917 546 L HN -0.000 nan 8.230 nan 0.000 0.441 547 L N -0.954 120.129 121.223 -0.233 0.000 2.127 547 L HA -0.095 4.259 4.340 0.023 0.000 0.203 547 L C 2.531 179.044 176.870 -0.594 0.000 1.080 547 L CA 1.513 56.141 54.840 -0.355 0.000 0.768 547 L CB -1.396 40.463 42.059 -0.333 0.000 0.924 547 L HN 0.427 nan 8.230 nan 0.000 0.444 548 H N 0.479 119.189 119.070 -0.599 0.000 2.292 548 H HA -0.200 4.369 4.556 0.023 0.000 0.292 548 H C -0.526 174.585 175.328 -0.363 0.000 1.100 548 H CA 2.646 58.405 56.048 -0.482 0.000 1.238 548 H CB -0.757 28.805 29.762 -0.334 0.000 1.355 548 H HN 0.199 nan 8.280 nan 0.000 0.484 549 P HA -0.135 nan 4.420 nan 0.000 0.219 549 P C 0.715 177.664 177.300 -0.585 0.000 1.146 549 P CA 1.350 64.143 63.100 -0.512 0.000 0.808 549 P CB -0.179 31.133 31.700 -0.646 0.000 0.779 550 H N -3.102 115.784 119.070 -0.306 0.000 2.536 550 H HA 0.129 4.698 4.556 0.023 0.000 0.276 550 H C 0.487 175.777 175.328 -0.063 0.000 1.019 550 H CA 0.575 56.498 56.048 -0.207 0.000 1.159 550 H CB 0.024 29.667 29.762 -0.199 0.000 1.373 550 H HN 0.271 nan 8.280 nan 0.000 0.584 551 Y N 0.192 120.421 120.300 -0.118 0.000 2.426 551 Y HA 0.139 4.703 4.550 0.022 0.000 0.249 551 Y C 1.411 177.234 175.900 -0.129 0.000 1.103 551 Y CA -0.864 57.176 58.100 -0.100 0.000 1.256 551 Y CB 0.207 38.603 38.460 -0.106 0.000 1.208 551 Y HN -0.012 nan 8.280 nan 0.000 0.519 552 R N 2.309 122.746 120.500 -0.105 0.000 2.526 552 R HA -0.162 4.192 4.340 0.023 0.000 0.319 552 R C -0.137 176.037 176.300 -0.211 0.000 0.888 552 R CA 1.025 56.937 56.100 -0.313 0.000 1.127 552 R CB -0.305 29.636 30.300 -0.598 0.000 0.888 552 R HN 0.302 nan 8.270 nan 0.000 0.410 553 D N 1.891 122.311 120.400 0.033 0.000 3.077 553 D HA -0.176 4.478 4.640 0.023 0.000 0.217 553 D C 0.478 176.850 176.300 0.121 0.000 1.162 553 D CA 1.976 56.088 54.000 0.187 0.000 0.943 553 D CB -0.610 40.241 40.800 0.085 0.000 1.122 553 D HN 0.753 nan 8.370 nan 0.000 0.413 554 T N -0.994 113.608 114.554 0.080 0.000 2.770 554 T HA -0.052 4.312 4.350 0.023 0.000 0.263 554 T C 2.096 176.845 174.700 0.082 0.000 1.039 554 T CA 1.292 63.418 62.100 0.044 0.000 1.142 554 T CB -0.129 68.738 68.868 -0.002 0.000 0.868 554 T HN 0.290 nan 8.240 nan 0.000 0.435 555 M N 1.400 121.043 119.600 0.073 0.000 2.279 555 M HA -0.077 4.417 4.480 0.023 0.000 0.264 555 M C 2.337 178.668 176.300 0.052 0.000 1.062 555 M CA 1.042 56.368 55.300 0.043 0.000 1.099 555 M CB -0.426 32.176 32.600 0.002 0.000 1.394 555 M HN 0.312 nan 8.290 nan 0.000 0.426 556 N N 0.673 119.428 118.700 0.091 0.000 2.250 556 N HA -0.107 4.647 4.740 0.023 0.000 0.181 556 N C 1.697 177.283 175.510 0.128 0.000 1.017 556 N CA 0.688 53.797 53.050 0.098 0.000 0.866 556 N CB 0.301 38.877 38.487 0.148 0.000 0.985 556 N HN 0.248 nan 8.380 nan 0.000 0.429 557 I N 1.743 122.410 120.570 0.161 0.000 2.500 557 I HA -0.116 4.068 4.170 0.023 0.000 0.252 557 I C 1.051 177.294 176.117 0.210 0.000 1.142 557 I CA 0.987 62.403 61.300 0.193 0.000 1.451 557 I CB -0.760 37.385 38.000 0.240 0.000 1.093 557 I HN 0.123 nan 8.210 nan 0.000 0.430 558 N N 1.133 119.974 118.700 0.235 0.000 2.216 558 N HA -0.058 4.695 4.740 0.023 0.000 0.183 558 N C 1.895 177.526 175.510 0.201 0.000 1.017 558 N CA 1.300 54.530 53.050 0.300 0.000 0.861 558 N CB -0.703 37.942 38.487 0.263 0.000 0.986 558 N HN 0.395 nan 8.380 nan 0.000 0.428 559 G N 1.117 109.983 108.800 0.109 0.000 2.422 559 G HA2 -0.197 3.777 3.960 0.023 0.000 0.218 559 G HA3 -0.197 3.777 3.960 0.023 0.000 0.218 559 G C 1.562 176.489 174.900 0.045 0.000 1.146 559 G CA 0.664 45.793 45.100 0.049 0.000 0.769 559 G HN 0.309 nan 8.290 nan 0.000 0.547 560 L N 1.071 122.331 121.223 0.062 0.000 2.056 560 L HA 0.265 4.618 4.340 0.023 0.000 0.207 560 L C 2.972 179.844 176.870 0.004 0.000 1.078 560 L CA 2.135 56.998 54.840 0.039 0.000 0.749 560 L CB -0.592 41.504 42.059 0.062 0.000 0.901 560 L HN 0.183 nan 8.230 nan 0.000 0.433 561 A N -0.035 122.790 122.820 0.007 0.000 1.908 561 A HA -0.204 4.129 4.320 0.023 0.000 0.218 561 A C 2.410 179.905 177.584 -0.148 0.000 1.181 561 A CA 1.802 53.771 52.037 -0.113 0.000 0.627 561 A CB -0.596 18.305 19.000 -0.164 0.000 0.818 561 A HN 0.537 nan 8.150 nan 0.000 0.445 562 R N -1.382 119.095 120.500 -0.037 0.000 2.148 562 R HA -0.039 4.314 4.340 0.023 0.000 0.227 562 R C 1.989 178.263 176.300 -0.043 0.000 1.103 562 R CA 1.271 57.358 56.100 -0.023 0.000 0.983 562 R CB -0.412 29.907 30.300 0.031 0.000 0.874 562 R HN 0.506 nan 8.270 nan 0.000 0.451 563 L N 0.145 121.347 121.223 -0.035 0.000 2.162 563 L HA -0.031 4.323 4.340 0.023 0.000 0.205 563 L C 1.465 178.308 176.870 -0.045 0.000 1.086 563 L CA 1.695 56.514 54.840 -0.034 0.000 0.778 563 L CB 0.272 42.319 42.059 -0.020 0.000 0.928 563 L HN 0.104 nan 8.230 nan 0.000 0.446 564 S N -3.908 111.757 115.700 -0.057 0.000 2.904 564 S HA 0.214 4.698 4.470 0.023 0.000 0.260 564 S C 0.877 175.430 174.600 -0.080 0.000 1.000 564 S CA -0.360 57.805 58.200 -0.058 0.000 1.274 564 S CB 0.019 63.196 63.200 -0.040 0.000 1.196 564 S HN 0.125 nan 8.310 nan 0.000 0.678 565 L N 0.675 121.821 121.223 -0.128 0.000 2.435 565 L HA 0.538 4.892 4.340 0.023 0.000 0.195 565 L C 1.724 178.447 176.870 -0.247 0.000 1.072 565 L CA 0.929 55.666 54.840 -0.172 0.000 0.833 565 L CB -0.264 41.668 42.059 -0.212 0.000 1.081 565 L HN 0.346 nan 8.230 nan 0.000 0.485 566 V N 1.717 121.422 119.914 -0.349 0.000 3.177 566 V HA 0.208 4.341 4.120 0.023 0.000 0.342 566 V C 0.306 176.245 176.094 -0.257 0.000 1.379 566 V CA -0.267 61.783 62.300 -0.416 0.000 1.191 566 V CB -0.839 30.501 31.823 -0.805 0.000 1.167 566 V HN 0.532 nan 8.190 nan 0.000 0.471 567 N N -0.607 117.992 118.700 -0.169 0.000 2.447 567 N HA 0.045 4.798 4.740 0.023 0.000 0.271 567 N C 1.013 176.474 175.510 -0.082 0.000 1.226 567 N CA 0.317 53.304 53.050 -0.105 0.000 0.980 567 N CB 0.704 39.148 38.487 -0.072 0.000 1.206 567 N HN 0.114 nan 8.380 nan 0.000 0.558 568 D N -0.325 120.046 120.400 -0.047 0.000 2.242 568 D HA -0.185 4.469 4.640 0.023 0.000 0.190 568 D C 1.181 177.474 176.300 -0.011 0.000 1.012 568 D CA 2.544 56.534 54.000 -0.017 0.000 0.875 568 D CB -0.583 40.248 40.800 0.050 0.000 0.922 568 D HN 0.787 nan 8.370 nan 0.000 0.448 569 G N -1.478 107.324 108.800 0.003 0.000 3.735 569 G HA2 0.447 4.421 3.960 0.023 0.000 0.283 569 G HA3 0.447 4.421 3.960 0.023 0.000 0.283 569 G C 0.622 175.512 174.900 -0.016 0.000 1.007 569 G CA 0.103 45.206 45.100 0.005 0.000 0.821 569 G HN 0.503 nan 8.290 nan 0.000 0.505 570 G N 0.156 108.932 108.800 -0.041 0.000 2.750 570 G HA2 0.271 4.245 3.960 0.023 0.000 0.250 570 G HA3 0.271 4.245 3.960 0.023 0.000 0.250 570 G C 1.559 176.432 174.900 -0.044 0.000 1.230 570 G CA 0.444 45.513 45.100 -0.051 0.000 0.883 570 G HN 0.687 nan 8.290 nan 0.000 0.573 571 V N -0.929 118.959 119.914 -0.042 0.000 2.469 571 V HA -0.159 3.975 4.120 0.023 0.000 0.251 571 V C 2.477 178.583 176.094 0.020 0.000 1.064 571 V CA 1.343 63.625 62.300 -0.029 0.000 1.066 571 V CB -0.747 31.064 31.823 -0.020 0.000 0.667 571 V HN 0.506 nan 8.190 nan 0.000 0.461 572 I N 1.038 121.618 120.570 0.017 0.000 2.202 572 I HA -0.120 4.064 4.170 0.023 0.000 0.242 572 I C 2.825 179.006 176.117 0.106 0.000 1.091 572 I CA 1.489 62.848 61.300 0.098 0.000 1.368 572 I CB -1.427 36.498 38.000 -0.125 0.000 1.058 572 I HN 0.461 nan 8.210 nan 0.000 0.410 573 E N 0.269 120.465 120.200 -0.005 0.000 2.106 573 E HA -0.216 4.148 4.350 0.023 0.000 0.192 573 E C 2.012 178.601 176.600 -0.019 0.000 0.984 573 E CA 0.875 57.261 56.400 -0.022 0.000 0.806 573 E CB -0.126 29.532 29.700 -0.069 0.000 0.750 573 E HN 0.608 nan 8.360 nan 0.000 0.458 574 Q N -0.384 119.399 119.800 -0.029 0.000 2.378 574 Q HA -0.015 4.339 4.340 0.023 0.000 0.205 574 Q C 1.162 177.095 176.000 -0.111 0.000 0.954 574 Q CA 0.982 56.752 55.803 -0.056 0.000 0.901 574 Q CB 0.511 29.217 28.738 -0.053 0.000 0.981 574 Q HN 0.178 nan 8.270 nan 0.000 0.483 575 T N -1.009 113.469 114.554 -0.126 0.000 2.959 575 T HA 0.186 4.549 4.350 0.023 0.000 0.254 575 T C -0.153 174.207 174.700 -0.567 0.000 1.003 575 T CA -0.020 61.870 62.100 -0.351 0.000 0.950 575 T CB 0.316 68.912 68.868 -0.454 0.000 1.090 575 T HN -0.052 nan 8.240 nan 0.000 0.503 576 F N 0.920 120.799 119.950 -0.118 0.000 2.480 576 F HA 0.488 5.028 4.527 0.022 0.000 0.329 576 F C 1.052 176.806 175.800 -0.077 0.000 1.091 576 F CA -1.433 56.489 58.000 -0.131 0.000 0.972 576 F CB 1.227 40.113 39.000 -0.191 0.000 1.150 576 F HN -0.203 nan 8.300 nan 0.000 0.467 577 L N 2.501 123.776 121.223 0.087 0.000 2.030 577 L HA -0.273 4.080 4.340 0.023 0.000 0.222 577 L C 1.712 178.764 176.870 0.303 0.000 1.082 577 L CA 2.122 57.049 54.840 0.145 0.000 0.785 577 L CB -0.552 41.601 42.059 0.156 0.000 0.895 577 L HN 0.669 nan 8.230 nan 0.000 0.439 578 W N 0.560 121.919 121.300 0.098 0.000 2.632 578 W HA 0.175 4.849 4.660 0.024 0.000 0.248 578 W C 1.881 178.424 176.519 0.041 0.000 1.259 578 W CA 0.892 58.285 57.345 0.081 0.000 1.288 578 W CB -2.017 27.463 29.460 0.034 0.000 1.136 578 W HN 0.488 nan 8.180 nan 0.000 0.640 579 G N 1.942 110.858 108.800 0.194 0.000 2.684 579 G HA2 -0.442 3.532 3.960 0.023 0.000 0.332 579 G HA3 -0.442 3.532 3.960 0.023 0.000 0.332 579 G C 1.324 176.166 174.900 -0.097 0.000 1.306 579 G CA 1.909 47.018 45.100 0.016 0.000 1.002 579 G HN 0.423 nan 8.290 nan 0.000 0.545 580 R N -0.149 120.161 120.500 -0.317 0.000 2.316 580 R HA 0.152 4.506 4.340 0.023 0.000 0.202 580 R C 1.491 177.561 176.300 -0.383 0.000 1.029 580 R CA 1.793 57.658 56.100 -0.392 0.000 1.018 580 R CB -0.187 29.820 30.300 -0.488 0.000 0.888 580 R HN 0.578 nan 8.270 nan 0.000 0.471 581 Y N 0.417 120.687 120.300 -0.051 0.000 2.571 581 Y HA 0.381 4.945 4.550 0.023 0.000 0.275 581 Y C 1.732 177.526 175.900 -0.177 0.000 1.179 581 Y CA -0.741 57.248 58.100 -0.185 0.000 1.242 581 Y CB 0.483 38.756 38.460 -0.312 0.000 1.126 581 Y HN -0.010 nan 8.280 nan 0.000 0.524 582 S N 0.141 115.883 115.700 0.071 0.000 2.351 582 S HA -0.164 4.320 4.470 0.023 0.000 0.220 582 S C 2.131 176.783 174.600 0.086 0.000 1.035 582 S CA 2.017 60.327 58.200 0.184 0.000 1.031 582 S CB -0.475 62.764 63.200 0.065 0.000 0.928 582 S HN 0.309 nan 8.310 nan 0.000 0.433 583 V N 2.855 122.709 119.914 -0.099 0.000 2.453 583 V HA -0.163 3.971 4.120 0.023 0.000 0.247 583 V C 2.443 178.374 176.094 -0.272 0.000 1.048 583 V CA 1.869 64.057 62.300 -0.186 0.000 1.049 583 V CB -1.157 30.482 31.823 -0.307 0.000 0.672 583 V HN 0.679 nan 8.190 nan 0.000 0.457 584 E N 0.604 120.585 120.200 -0.365 0.000 2.110 584 E HA -0.234 4.129 4.350 0.023 0.000 0.193 584 E C 2.158 178.579 176.600 -0.299 0.000 0.988 584 E CA 1.542 57.583 56.400 -0.599 0.000 0.804 584 E CB -0.441 28.746 29.700 -0.854 0.000 0.745 584 E HN 0.510 nan 8.360 nan 0.000 0.458 585 M N 1.745 121.181 119.600 -0.272 0.000 2.213 585 M HA -0.115 4.379 4.480 0.023 0.000 0.263 585 M C 2.498 178.798 176.300 0.000 0.000 1.062 585 M CA 1.800 56.928 55.300 -0.288 0.000 1.105 585 M CB -0.260 31.903 32.600 -0.729 0.000 1.385 585 M HN 0.280 nan 8.290 nan 0.000 0.417 586 S N 0.132 115.923 115.700 0.152 0.000 2.453 586 S HA 0.046 4.529 4.470 0.023 0.000 0.231 586 S C 1.930 176.771 174.600 0.401 0.000 1.005 586 S CA 0.697 59.086 58.200 0.315 0.000 0.949 586 S CB -0.338 63.082 63.200 0.368 0.000 0.774 586 S HN 0.429 nan 8.310 nan 0.000 0.510 587 A N 1.268 124.285 122.820 0.328 0.000 2.016 587 A HA 0.236 4.569 4.320 0.023 0.000 0.217 587 A C 2.245 180.122 177.584 0.488 0.000 1.162 587 A CA 1.064 53.392 52.037 0.485 0.000 0.662 587 A CB -0.747 18.390 19.000 0.228 0.000 0.812 587 A HN 0.427 nan 8.150 nan 0.000 0.450 588 V N -0.321 119.832 119.914 0.398 0.000 2.548 588 V HA -0.165 3.969 4.120 0.023 0.000 0.249 588 V C 2.447 178.718 176.094 0.295 0.000 1.055 588 V CA 1.813 64.316 62.300 0.338 0.000 1.065 588 V CB -0.291 31.707 31.823 0.292 0.000 0.681 588 V HN 0.381 nan 8.190 nan 0.000 0.462 589 V N -1.108 118.990 119.914 0.307 0.000 2.591 589 V HA -0.196 3.938 4.120 0.023 0.000 0.249 589 V C 2.172 178.468 176.094 0.338 0.000 1.053 589 V CA 1.547 64.033 62.300 0.311 0.000 1.068 589 V CB -0.839 31.182 31.823 0.329 0.000 0.689 589 V HN 0.638 nan 8.190 nan 0.000 0.462 590 Y N 1.561 122.004 120.300 0.238 0.000 2.315 590 Y HA -0.255 4.308 4.550 0.023 0.000 0.288 590 Y C 2.371 178.445 175.900 0.290 0.000 1.154 590 Y CA 1.569 59.794 58.100 0.207 0.000 1.229 590 Y CB -0.296 38.237 38.460 0.123 0.000 0.980 590 Y HN 0.179 nan 8.280 nan 0.000 0.540 591 K N -0.075 120.465 120.400 0.233 0.000 2.074 591 K HA -0.217 4.116 4.320 0.023 0.000 0.209 591 K C 1.482 178.151 176.600 0.116 0.000 1.048 591 K CA 1.846 58.225 56.287 0.152 0.000 0.926 591 K CB -0.210 32.401 32.500 0.185 0.000 0.713 591 K HN 0.450 nan 8.250 nan 0.000 0.444 592 D N -0.919 119.569 120.400 0.147 0.000 2.340 592 D HA -0.075 4.578 4.640 0.023 0.000 0.220 592 D C -0.039 176.312 176.300 0.084 0.000 1.039 592 D CA 0.099 54.168 54.000 0.115 0.000 0.866 592 D CB 0.091 40.967 40.800 0.128 0.000 0.913 592 D HN 0.212 nan 8.370 nan 0.000 0.523 593 W N 2.522 123.750 121.300 -0.121 0.000 2.303 593 W HA 0.169 4.842 4.660 0.023 0.000 0.318 593 W C -0.319 175.986 176.519 -0.357 0.000 1.362 593 W CA -0.269 56.965 57.345 -0.185 0.000 1.234 593 W CB 0.637 30.015 29.460 -0.137 0.000 1.248 593 W HN -0.324 nan 8.180 nan 0.000 0.546 594 V N 9.298 128.535 119.914 -1.129 0.000 2.443 594 V HA 0.262 4.396 4.120 0.023 0.000 0.293 594 V C 0.479 175.330 176.094 -2.072 0.000 1.021 594 V CA -0.874 60.263 62.300 -1.938 0.000 0.848 594 V CB 0.829 31.643 31.823 -1.682 0.000 0.998 594 V HN 0.763 nan 8.190 nan 0.000 0.424 595 F N 4.984 123.407 119.950 -2.544 0.000 2.045 595 F HA -0.231 4.309 4.527 0.022 0.000 0.297 595 F C 2.474 177.806 175.800 -0.779 0.000 1.114 595 F CA 3.382 60.519 58.000 -1.438 0.000 1.207 595 F CB -0.535 38.038 39.000 -0.711 0.000 0.964 595 F HN 0.760 nan 8.300 nan 0.000 0.486 596 T N -2.612 111.555 114.554 -0.645 0.000 2.946 596 T HA -0.183 4.180 4.350 0.023 0.000 0.271 596 T C 1.383 175.779 174.700 -0.505 0.000 1.104 596 T CA 1.441 63.263 62.100 -0.462 0.000 1.114 596 T CB -0.547 68.193 68.868 -0.214 0.000 0.867 596 T HN 0.271 nan 8.240 nan 0.000 0.513 597 D N 0.747 120.772 120.400 -0.625 0.000 2.340 597 D HA 0.053 4.706 4.640 0.023 0.000 0.220 597 D C 1.893 177.937 176.300 -0.428 0.000 1.039 597 D CA 0.196 53.904 54.000 -0.486 0.000 0.866 597 D CB 0.092 40.610 40.800 -0.471 0.000 0.913 597 D HN 0.376 nan 8.370 nan 0.000 0.523 598 Q N 0.184 119.698 119.800 -0.477 0.000 2.398 598 Q HA 0.150 4.504 4.340 0.023 0.000 0.204 598 Q C 0.691 176.518 176.000 -0.288 0.000 0.932 598 Q CA 0.057 55.695 55.803 -0.276 0.000 0.916 598 Q CB 0.082 28.699 28.738 -0.203 0.000 1.024 598 Q HN 0.133 nan 8.270 nan 0.000 0.504 599 A N 1.242 123.750 122.820 -0.520 0.000 2.477 599 A HA 0.087 4.421 4.320 0.023 0.000 0.246 599 A C 1.227 178.126 177.584 -1.142 0.000 1.078 599 A CA -0.254 51.185 52.037 -0.996 0.000 0.770 599 A CB 0.199 18.719 19.000 -0.799 0.000 1.011 599 A HN 0.251 nan 8.150 nan 0.000 0.494 600 L N 4.036 124.177 121.223 -1.804 0.000 2.013 600 L HA -0.076 4.278 4.340 0.023 0.000 0.212 600 L C -0.786 175.555 176.870 -0.882 0.000 1.073 600 L CA 2.662 56.746 54.840 -1.259 0.000 0.753 600 L CB -1.346 39.769 42.059 -1.573 0.000 0.890 600 L HN 0.540 nan 8.230 nan 0.000 0.432 601 P HA -0.130 nan 4.420 nan 0.000 0.215 601 P C 1.587 178.658 177.300 -0.382 0.000 1.157 601 P CA 2.033 64.809 63.100 -0.540 0.000 0.863 601 P CB -0.211 31.229 31.700 -0.434 0.000 0.787 602 A N -0.124 122.449 122.820 -0.411 0.000 1.877 602 A HA -0.271 4.063 4.320 0.023 0.000 0.216 602 A C 2.206 179.637 177.584 -0.256 0.000 1.186 602 A CA 2.350 54.209 52.037 -0.296 0.000 0.620 602 A CB -1.749 17.062 19.000 -0.314 0.000 0.822 602 A HN 0.198 nan 8.150 nan 0.000 0.443 603 D N -0.760 119.464 120.400 -0.293 0.000 2.092 603 D HA -0.169 4.485 4.640 0.023 0.000 0.193 603 D C 1.749 177.977 176.300 -0.120 0.000 0.994 603 D CA 1.306 55.195 54.000 -0.184 0.000 0.828 603 D CB -0.157 40.557 40.800 -0.142 0.000 0.963 603 D HN 0.153 nan 8.370 nan 0.000 0.450 604 L N 0.617 121.750 121.223 -0.151 0.000 2.013 604 L HA -0.147 4.207 4.340 0.023 0.000 0.212 604 L C 2.450 179.286 176.870 -0.056 0.000 1.073 604 L CA 1.415 56.199 54.840 -0.092 0.000 0.753 604 L CB -0.991 40.972 42.059 -0.161 0.000 0.890 604 L HN 0.342 nan 8.230 nan 0.000 0.432 605 I N -0.966 119.549 120.570 -0.092 0.000 2.252 605 I HA -0.322 3.862 4.170 0.023 0.000 0.245 605 I C 2.540 178.629 176.117 -0.047 0.000 1.102 605 I CA 1.105 62.367 61.300 -0.063 0.000 1.385 605 I CB -0.336 37.613 38.000 -0.085 0.000 1.064 605 I HN 0.285 nan 8.210 nan 0.000 0.414 606 K N 1.337 121.694 120.400 -0.071 0.000 2.103 606 K HA -0.169 4.165 4.320 0.023 0.000 0.207 606 K C 1.852 178.438 176.600 -0.023 0.000 1.048 606 K CA 1.521 57.771 56.287 -0.062 0.000 0.930 606 K CB 0.022 32.465 32.500 -0.096 0.000 0.716 606 K HN 0.237 nan 8.250 nan 0.000 0.444 607 R N -0.961 119.537 120.500 -0.002 0.000 2.334 607 R HA 0.097 4.450 4.340 0.023 0.000 0.220 607 R C 0.825 177.165 176.300 0.067 0.000 0.917 607 R CA 0.480 56.602 56.100 0.036 0.000 1.073 607 R CB 0.493 30.827 30.300 0.057 0.000 1.056 607 R HN 0.440 nan 8.270 nan 0.000 0.506 608 G N 0.911 109.740 108.800 0.048 0.000 2.168 608 G HA2 -0.287 3.687 3.960 0.023 0.000 0.257 608 G HA3 -0.287 3.687 3.960 0.023 0.000 0.257 608 G C 0.867 175.839 174.900 0.120 0.000 0.997 608 G CA 0.389 45.530 45.100 0.069 0.000 0.708 608 G HN 0.159 nan 8.290 nan 0.000 0.520 609 M N -0.313 119.357 119.600 0.117 0.000 2.506 609 M HA 0.457 4.951 4.480 0.023 0.000 0.260 609 M C 1.262 177.621 176.300 0.099 0.000 1.104 609 M CA 1.106 56.497 55.300 0.151 0.000 1.112 609 M CB -0.556 32.159 32.600 0.192 0.000 1.401 609 M HN 0.958 nan 8.290 nan 0.000 0.473 610 A N 1.123 123.970 122.820 0.044 0.000 2.515 610 A HA 0.798 5.131 4.320 0.023 0.000 0.298 610 A C -0.627 176.959 177.584 0.004 0.000 1.059 610 A CA -0.847 51.197 52.037 0.012 0.000 0.698 610 A CB 1.804 20.782 19.000 -0.037 0.000 1.289 610 A HN 0.328 nan 8.150 nan 0.000 0.404 611 I N -1.703 118.870 120.570 0.005 0.000 2.740 611 I HA 0.636 4.819 4.170 0.023 0.000 0.303 611 I C -0.299 175.812 176.117 -0.009 0.000 1.044 611 I CA -0.649 60.650 61.300 -0.000 0.000 1.064 611 I CB 1.973 39.979 38.000 0.009 0.000 1.249 611 I HN 0.668 nan 8.210 nan 0.000 0.433 612 E N 3.226 123.419 120.200 -0.013 0.000 2.324 612 E HA 0.118 4.482 4.350 0.023 0.000 0.271 612 E C -1.145 175.451 176.600 -0.007 0.000 1.028 612 E CA 0.325 56.717 56.400 -0.014 0.000 0.890 612 E CB 0.614 30.304 29.700 -0.016 0.000 1.004 612 E HN 0.465 nan 8.360 nan 0.000 0.431 613 D N 5.069 125.465 120.400 -0.006 0.000 2.365 613 D HA 0.097 4.751 4.640 0.023 0.000 0.235 613 D C -2.035 174.261 176.300 -0.008 0.000 1.368 613 D CA -1.824 52.173 54.000 -0.005 0.000 1.001 613 D CB 1.392 42.190 40.800 -0.003 0.000 1.364 613 D HN 0.139 nan 8.370 nan 0.000 0.577 614 P HA -0.133 nan 4.420 nan 0.000 0.217 614 P C 1.234 178.524 177.300 -0.018 0.000 1.148 614 P CA 0.692 63.785 63.100 -0.012 0.000 0.828 614 P CB 0.501 32.195 31.700 -0.010 0.000 0.783 615 S N -0.652 115.038 115.700 -0.017 0.000 2.382 615 S HA -0.087 4.397 4.470 0.023 0.000 0.228 615 S C 1.451 176.033 174.600 -0.030 0.000 1.027 615 S CA 0.476 58.663 58.200 -0.021 0.000 0.991 615 S CB -1.063 62.127 63.200 -0.016 0.000 0.823 615 S HN 0.347 nan 8.310 nan 0.000 0.469 616 C N 2.958 122.241 119.300 -0.027 0.000 2.679 616 C HA 0.158 4.631 4.460 0.023 0.000 0.417 616 C C -0.890 174.056 174.990 -0.073 0.000 1.302 616 C CA -1.663 57.331 59.018 -0.039 0.000 1.973 616 C CB 0.254 27.984 27.740 -0.017 0.000 2.715 616 C HN 0.297 nan 8.230 nan 0.000 0.628 617 P HA -0.137 nan 4.420 nan 0.000 0.216 617 P C 0.259 177.335 177.300 -0.373 0.000 1.154 617 P CA 1.909 64.836 63.100 -0.288 0.000 0.865 617 P CB -0.047 31.410 31.700 -0.404 0.000 0.789 618 H N -3.404 115.657 119.070 -0.016 0.000 2.528 618 H HA 0.431 5.001 4.556 0.023 0.000 0.282 618 H C 1.209 176.527 175.328 -0.017 0.000 1.097 618 H CA 0.295 56.337 56.048 -0.011 0.000 1.121 618 H CB -0.052 29.703 29.762 -0.012 0.000 1.590 618 H HN 0.064 nan 8.280 nan 0.000 0.553 619 G N 1.411 110.236 108.800 0.041 0.000 2.148 619 G HA2 -0.277 3.697 3.960 0.023 0.000 0.254 619 G HA3 -0.277 3.697 3.960 0.023 0.000 0.254 619 G C 0.192 175.098 174.900 0.011 0.000 0.981 619 G CA 0.564 45.675 45.100 0.019 0.000 0.670 619 G HN 0.530 nan 8.290 nan 0.000 0.528 620 I N -3.921 116.659 120.570 0.017 0.000 2.752 620 I HA 0.763 4.946 4.170 0.023 0.000 0.295 620 I C -0.470 175.650 176.117 0.005 0.000 1.219 620 I CA -1.604 59.696 61.300 -0.001 0.000 1.030 620 I CB 2.035 40.020 38.000 -0.027 0.000 1.259 620 I HN -0.065 nan 8.210 nan 0.000 0.423 621 R N 5.574 126.075 120.500 0.002 0.000 2.229 621 R HA 0.555 4.909 4.340 0.023 0.000 0.328 621 R C -1.257 175.053 176.300 0.016 0.000 1.009 621 R CA -0.728 55.378 56.100 0.010 0.000 0.864 621 R CB 1.238 31.544 30.300 0.010 0.000 1.085 621 R HN 0.813 nan 8.270 nan 0.000 0.453 622 L N 4.942 126.178 121.223 0.021 0.000 2.360 622 L HA 0.086 4.439 4.340 0.023 0.000 0.276 622 L C 1.889 178.794 176.870 0.058 0.000 1.121 622 L CA -0.204 54.656 54.840 0.034 0.000 0.845 622 L CB 1.558 43.635 42.059 0.029 0.000 1.143 622 L HN 0.451 nan 8.230 nan 0.000 0.452 623 V N 5.824 125.791 119.914 0.088 0.000 2.407 623 V HA -0.099 4.035 4.120 0.023 0.000 0.248 623 V C 0.855 177.015 176.094 0.110 0.000 1.055 623 V CA 1.493 63.870 62.300 0.127 0.000 1.049 623 V CB 0.088 32.042 31.823 0.218 0.000 0.662 623 V HN 0.508 nan 8.190 nan 0.000 0.455 624 I N 0.133 120.738 120.570 0.058 0.000 2.382 624 I HA 0.260 4.444 4.170 0.023 0.000 0.285 624 I C 0.925 177.069 176.117 0.046 0.000 1.007 624 I CA -0.183 61.108 61.300 -0.014 0.000 1.142 624 I CB 1.698 39.575 38.000 -0.204 0.000 1.289 624 I HN 0.176 nan 8.210 nan 0.000 0.453 625 E N 3.139 123.358 120.200 0.032 0.000 2.152 625 E HA -0.137 4.227 4.350 0.023 0.000 0.192 625 E C -0.092 176.540 176.600 0.052 0.000 0.983 625 E CA 1.018 57.443 56.400 0.042 0.000 0.818 625 E CB 0.093 29.809 29.700 0.028 0.000 0.758 625 E HN 0.700 nan 8.360 nan 0.000 0.467 626 D N 0.563 120.983 120.400 0.032 0.000 3.032 626 D HA -0.064 4.590 4.640 0.023 0.000 0.241 626 D C -0.628 175.706 176.300 0.056 0.000 1.196 626 D CA 0.096 54.115 54.000 0.031 0.000 0.927 626 D CB -0.274 40.525 40.800 -0.001 0.000 1.129 626 D HN 0.053 nan 8.370 nan 0.000 0.458 627 Y N 0.885 121.140 120.300 -0.074 0.000 2.854 627 Y HA 0.300 4.864 4.550 0.022 0.000 0.330 627 Y C -2.009 173.840 175.900 -0.084 0.000 1.037 627 Y CA -3.639 54.405 58.100 -0.094 0.000 1.263 627 Y CB 0.748 39.152 38.460 -0.093 0.000 1.120 627 Y HN -0.006 nan 8.280 nan 0.000 0.532 628 P HA -0.337 nan 4.420 nan 0.000 0.216 628 P C 1.369 178.631 177.300 -0.062 0.000 1.167 628 P CA 2.275 65.334 63.100 -0.068 0.000 0.933 628 P CB -0.169 31.278 31.700 -0.421 0.000 0.793 629 Y N 0.034 120.196 120.300 -0.230 0.000 2.114 629 Y HA -0.269 4.295 4.550 0.023 0.000 0.282 629 Y C 2.209 178.032 175.900 -0.129 0.000 1.165 629 Y CA 2.466 60.536 58.100 -0.050 0.000 1.148 629 Y CB -1.333 37.154 38.460 0.046 0.000 0.972 629 Y HN -0.080 nan 8.280 nan 0.000 0.504 630 T N -0.027 114.133 114.554 -0.658 0.000 2.701 630 T HA -0.159 4.205 4.350 0.023 0.000 0.263 630 T C 2.088 176.537 174.700 -0.418 0.000 1.040 630 T CA 1.952 63.586 62.100 -0.777 0.000 1.147 630 T CB -0.823 67.396 68.868 -1.083 0.000 0.865 630 T HN 0.215 nan 8.240 nan 0.000 0.426 631 V N 2.259 122.028 119.914 -0.241 0.000 2.282 631 V HA -0.222 3.912 4.120 0.023 0.000 0.249 631 V C 2.318 178.377 176.094 -0.058 0.000 1.057 631 V CA 2.017 64.262 62.300 -0.091 0.000 1.032 631 V CB -0.696 31.126 31.823 -0.002 0.000 0.645 631 V HN 0.413 nan 8.190 nan 0.000 0.447 632 D N 0.668 121.061 120.400 -0.012 0.000 2.097 632 D HA -0.066 4.588 4.640 0.023 0.000 0.197 632 D C 2.233 178.544 176.300 0.017 0.000 0.984 632 D CA 1.578 55.608 54.000 0.051 0.000 0.826 632 D CB -0.805 40.098 40.800 0.173 0.000 0.973 632 D HN 0.447 nan 8.370 nan 0.000 0.460 633 G N 0.455 109.226 108.800 -0.048 0.000 2.448 633 G HA2 -0.199 3.774 3.960 0.023 0.000 0.219 633 G HA3 -0.199 3.774 3.960 0.023 0.000 0.219 633 G C 1.482 176.338 174.900 -0.074 0.000 1.127 633 G CA 0.218 45.347 45.100 0.048 0.000 0.766 633 G HN 0.146 nan 8.290 nan 0.000 0.552 634 L N 0.670 121.734 121.223 -0.264 0.000 2.083 634 L HA 0.032 4.386 4.340 0.023 0.000 0.209 634 L C 2.666 179.286 176.870 -0.416 0.000 1.083 634 L CA 1.271 55.860 54.840 -0.418 0.000 0.752 634 L CB -0.482 41.243 42.059 -0.557 0.000 0.899 634 L HN 0.180 nan 8.230 nan 0.000 0.433 635 E N -0.534 119.534 120.200 -0.219 0.000 2.047 635 E HA -0.160 4.203 4.350 0.023 0.000 0.191 635 E C 2.373 179.007 176.600 0.057 0.000 0.987 635 E CA 1.286 57.672 56.400 -0.024 0.000 0.799 635 E CB -0.179 29.558 29.700 0.062 0.000 0.752 635 E HN 0.477 nan 8.360 nan 0.000 0.449 636 I N 0.592 121.232 120.570 0.117 0.000 2.353 636 I HA -0.199 3.985 4.170 0.023 0.000 0.248 636 I C 2.520 178.799 176.117 0.271 0.000 1.119 636 I CA 0.745 62.176 61.300 0.218 0.000 1.417 636 I CB -0.280 37.895 38.000 0.292 0.000 1.078 636 I HN 0.252 nan 8.210 nan 0.000 0.421 637 W N 2.573 123.897 121.300 0.039 0.000 2.355 637 W HA -0.254 4.420 4.660 0.022 0.000 0.309 637 W C 1.795 178.277 176.519 -0.062 0.000 1.206 637 W CA 1.804 59.069 57.345 -0.134 0.000 1.284 637 W CB -0.348 28.733 29.460 -0.631 0.000 1.145 637 W HN 0.156 nan 8.180 nan 0.000 0.502 638 D N 0.563 120.870 120.400 -0.156 0.000 2.144 638 D HA -0.113 4.540 4.640 0.023 0.000 0.199 638 D C 2.443 178.705 176.300 -0.064 0.000 0.984 638 D CA 2.094 56.011 54.000 -0.139 0.000 0.834 638 D CB -0.614 40.225 40.800 0.066 0.000 0.955 638 D HN 0.161 nan 8.370 nan 0.000 0.465 639 A N 0.296 123.153 122.820 0.062 0.000 1.902 639 A HA -0.136 4.198 4.320 0.023 0.000 0.217 639 A C 2.307 180.049 177.584 0.263 0.000 1.181 639 A CA 0.911 53.080 52.037 0.220 0.000 0.623 639 A CB -0.657 18.513 19.000 0.283 0.000 0.818 639 A HN 0.230 nan 8.150 nan 0.000 0.443 640 I N -0.875 119.771 120.570 0.128 0.000 2.252 640 I HA -0.228 3.955 4.170 0.023 0.000 0.245 640 I C 2.560 178.548 176.117 -0.216 0.000 1.102 640 I CA 1.182 62.478 61.300 -0.008 0.000 1.385 640 I CB -0.280 37.685 38.000 -0.058 0.000 1.064 640 I HN 0.194 nan 8.210 nan 0.000 0.414 641 K N 0.652 120.802 120.400 -0.417 0.000 2.009 641 K HA -0.147 4.187 4.320 0.023 0.000 0.210 641 K C 2.158 178.674 176.600 -0.141 0.000 1.049 641 K CA 1.989 58.042 56.287 -0.390 0.000 0.929 641 K CB -0.580 31.637 32.500 -0.472 0.000 0.714 641 K HN 0.292 nan 8.250 nan 0.000 0.440 642 T N 0.903 115.420 114.554 -0.062 0.000 2.720 642 T HA -0.183 4.180 4.350 0.023 0.000 0.268 642 T C 1.414 176.194 174.700 0.134 0.000 1.037 642 T CA 1.415 63.534 62.100 0.031 0.000 1.144 642 T CB -0.390 68.522 68.868 0.074 0.000 0.864 642 T HN 0.526 nan 8.240 nan 0.000 0.444 643 W N 1.784 123.031 121.300 -0.088 0.000 2.355 643 W HA -0.174 4.500 4.660 0.023 0.000 0.309 643 W C 1.692 178.186 176.519 -0.042 0.000 1.206 643 W CA 0.614 57.871 57.345 -0.147 0.000 1.284 643 W CB -0.437 28.609 29.460 -0.689 0.000 1.145 643 W HN 0.050 nan 8.180 nan 0.000 0.502 644 V N 0.798 120.446 119.914 -0.444 0.000 2.427 644 V HA -0.318 3.816 4.120 0.023 0.000 0.248 644 V C 2.294 178.320 176.094 -0.112 0.000 1.051 644 V CA 2.483 64.497 62.300 -0.478 0.000 1.048 644 V CB -1.450 30.172 31.823 -0.336 0.000 0.666 644 V HN 0.311 nan 8.190 nan 0.000 0.456 645 H N 0.412 119.432 119.070 -0.083 0.000 2.321 645 H HA -0.155 4.414 4.556 0.023 0.000 0.300 645 H C 2.373 177.755 175.328 0.090 0.000 1.087 645 H CA 2.169 58.230 56.048 0.023 0.000 1.319 645 H CB 0.112 29.805 29.762 -0.116 0.000 1.379 645 H HN 0.477 nan 8.280 nan 0.000 0.501 646 E N -0.681 119.654 120.200 0.226 0.000 2.085 646 E HA -0.251 4.112 4.350 0.023 0.000 0.194 646 E C 1.881 178.581 176.600 0.166 0.000 0.994 646 E CA 1.278 57.803 56.400 0.209 0.000 0.801 646 E CB -0.237 29.613 29.700 0.251 0.000 0.743 646 E HN 0.553 nan 8.360 nan 0.000 0.453 647 Y N 1.126 121.381 120.300 -0.074 0.000 2.145 647 Y HA -0.244 4.320 4.550 0.023 0.000 0.286 647 Y C 2.182 178.131 175.900 0.082 0.000 1.145 647 Y CA 1.208 59.241 58.100 -0.112 0.000 1.148 647 Y CB -0.235 37.855 38.460 -0.616 0.000 0.981 647 Y HN -0.184 nan 8.280 nan 0.000 0.507 648 V N -0.414 119.666 119.914 0.276 0.000 2.261 648 V HA -0.311 3.823 4.120 0.023 0.000 0.246 648 V C 1.877 178.079 176.094 0.179 0.000 1.047 648 V CA 2.009 64.479 62.300 0.283 0.000 1.015 648 V CB -0.953 30.980 31.823 0.184 0.000 0.642 648 V HN 0.307 nan 8.190 nan 0.000 0.446 649 F N -0.464 119.453 119.950 -0.056 0.000 2.773 649 F HA -0.003 4.537 4.527 0.022 0.000 0.299 649 F C 1.652 177.392 175.800 -0.100 0.000 1.204 649 F CA 0.511 58.468 58.000 -0.070 0.000 1.454 649 F CB -0.516 38.402 39.000 -0.137 0.000 1.117 649 F HN 0.112 nan 8.300 nan 0.000 0.590 650 L N -2.019 119.174 121.223 -0.051 0.000 2.408 650 L HA 0.022 4.375 4.340 0.023 0.000 0.215 650 L C 1.204 177.695 176.870 -0.631 0.000 1.081 650 L CA 1.529 56.164 54.840 -0.341 0.000 0.840 650 L CB -0.347 41.421 42.059 -0.484 0.000 1.002 650 L HN 0.097 nan 8.230 nan 0.000 0.468 651 Y N -2.963 117.170 120.300 -0.279 0.000 2.535 651 Y HA 0.222 4.786 4.550 0.023 0.000 0.264 651 Y C -0.094 175.480 175.900 -0.544 0.000 1.087 651 Y CA -0.447 57.391 58.100 -0.437 0.000 1.285 651 Y CB 0.170 38.282 38.460 -0.581 0.000 1.200 651 Y HN -0.119 nan 8.280 nan 0.000 0.514 652 Y N 1.454 121.710 120.300 -0.072 0.000 2.434 652 Y HA 0.264 4.827 4.550 0.022 0.000 0.341 652 Y C 1.055 176.846 175.900 -0.181 0.000 0.965 652 Y CA -1.249 56.763 58.100 -0.146 0.000 1.205 652 Y CB 0.877 39.199 38.460 -0.231 0.000 1.121 652 Y HN -0.059 nan 8.280 nan 0.000 0.507 653 K N 1.366 121.764 120.400 -0.004 0.000 2.057 653 K HA -0.044 4.289 4.320 0.023 0.000 0.206 653 K C 0.449 177.043 176.600 -0.010 0.000 1.050 653 K CA 1.340 57.617 56.287 -0.016 0.000 0.935 653 K CB 0.105 32.595 32.500 -0.017 0.000 0.715 653 K HN 0.639 nan 8.250 nan 0.000 0.439 654 S N -0.962 114.734 115.700 -0.006 0.000 2.671 654 S HA 0.220 4.703 4.470 0.023 0.000 0.277 654 S C -0.223 174.350 174.600 -0.045 0.000 1.165 654 S CA -0.962 57.226 58.200 -0.020 0.000 0.822 654 S CB 1.431 64.630 63.200 -0.002 0.000 1.150 654 S HN -0.100 nan 8.310 nan 0.000 0.479 655 D N 0.768 121.134 120.400 -0.055 0.000 2.264 655 D HA -0.027 4.626 4.640 0.023 0.000 0.208 655 D C 0.905 177.169 176.300 -0.059 0.000 0.966 655 D CA 1.004 54.954 54.000 -0.083 0.000 0.864 655 D CB -0.188 40.576 40.800 -0.060 0.000 0.933 655 D HN 0.571 nan 8.370 nan 0.000 0.499 656 D N -0.045 120.340 120.400 -0.024 0.000 2.224 656 D HA -0.088 4.566 4.640 0.023 0.000 0.205 656 D C 2.029 178.337 176.300 0.013 0.000 0.965 656 D CA 1.169 55.165 54.000 -0.008 0.000 0.852 656 D CB 0.100 40.900 40.800 0.000 0.000 0.947 656 D HN 0.319 nan 8.370 nan 0.000 0.494 657 T N -0.445 114.133 114.554 0.040 0.000 2.962 657 T HA -0.074 4.289 4.350 0.023 0.000 0.270 657 T C 2.107 176.908 174.700 0.168 0.000 1.088 657 T CA 0.309 62.473 62.100 0.107 0.000 1.127 657 T CB -0.242 68.709 68.868 0.140 0.000 0.883 657 T HN 0.098 nan 8.240 nan 0.000 0.493 658 L N 0.191 121.429 121.223 0.026 0.000 2.068 658 L HA 0.161 4.515 4.340 0.023 0.000 0.204 658 L C 3.021 179.848 176.870 -0.071 0.000 1.076 658 L CA 0.847 55.586 54.840 -0.168 0.000 0.753 658 L CB -0.131 41.678 42.059 -0.417 0.000 0.910 658 L HN 0.091 nan 8.230 nan 0.000 0.439 659 R N -0.168 120.301 120.500 -0.053 0.000 2.148 659 R HA -0.143 4.211 4.340 0.023 0.000 0.227 659 R C 1.823 178.127 176.300 0.008 0.000 1.103 659 R CA 1.323 57.407 56.100 -0.027 0.000 0.983 659 R CB -0.185 30.100 30.300 -0.025 0.000 0.874 659 R HN 0.526 nan 8.270 nan 0.000 0.451 660 E N 0.556 120.774 120.200 0.028 0.000 2.371 660 E HA -0.074 4.290 4.350 0.023 0.000 0.194 660 E C 0.065 176.705 176.600 0.066 0.000 1.012 660 E CA -0.008 56.416 56.400 0.041 0.000 0.860 660 E CB 0.101 29.825 29.700 0.041 0.000 0.811 660 E HN 0.144 nan 8.360 nan 0.000 0.502 661 D N 1.765 122.225 120.400 0.100 0.000 2.348 661 D HA -0.022 4.631 4.640 0.023 0.000 0.259 661 D C -1.364 175.003 176.300 0.113 0.000 1.296 661 D CA -1.875 52.217 54.000 0.153 0.000 0.931 661 D CB 1.037 41.996 40.800 0.265 0.000 1.067 661 D HN -0.003 nan 8.370 nan 0.000 0.503 662 P HA -0.137 nan 4.420 nan 0.000 0.217 662 P C 0.932 178.277 177.300 0.076 0.000 1.150 662 P CA 0.986 64.127 63.100 0.069 0.000 0.832 662 P CB 0.543 32.279 31.700 0.060 0.000 0.787 663 E N -0.438 119.832 120.200 0.117 0.000 2.072 663 E HA -0.129 4.235 4.350 0.023 0.000 0.191 663 E C 2.130 178.766 176.600 0.060 0.000 0.985 663 E CA 0.600 57.063 56.400 0.106 0.000 0.801 663 E CB -0.565 29.213 29.700 0.130 0.000 0.750 663 E HN 0.106 nan 8.360 nan 0.000 0.452 664 L N 1.278 122.545 121.223 0.075 0.000 2.093 664 L HA -0.185 4.169 4.340 0.023 0.000 0.208 664 L C 2.124 179.038 176.870 0.073 0.000 1.085 664 L CA 1.623 56.497 54.840 0.057 0.000 0.755 664 L CB -0.183 41.936 42.059 0.100 0.000 0.904 664 L HN 0.001 nan 8.230 nan 0.000 0.435 665 Q N -0.191 119.640 119.800 0.053 0.000 2.046 665 Q HA -0.062 4.292 4.340 0.023 0.000 0.200 665 Q C 2.353 178.354 176.000 0.003 0.000 0.975 665 Q CA 1.702 57.531 55.803 0.043 0.000 0.836 665 Q CB -0.819 27.933 28.738 0.023 0.000 0.896 665 Q HN 0.630 nan 8.270 nan 0.000 0.428 666 A N 0.524 123.300 122.820 -0.074 0.000 1.972 666 A HA -0.184 4.150 4.320 0.023 0.000 0.219 666 A C 2.497 179.837 177.584 -0.407 0.000 1.169 666 A CA 1.467 53.341 52.037 -0.272 0.000 0.635 666 A CB -1.105 17.694 19.000 -0.335 0.000 0.810 666 A HN 0.511 nan 8.150 nan 0.000 0.446 667 C N -1.410 117.805 119.300 -0.142 0.000 2.436 667 C HA -0.123 4.350 4.460 0.023 0.000 0.277 667 C C 2.456 177.496 174.990 0.084 0.000 1.241 667 C CA 1.279 60.325 59.018 0.046 0.000 1.721 667 C CB -1.370 26.479 27.740 0.182 0.000 2.043 667 C HN 0.754 nan 8.230 nan 0.000 0.472 668 W N 1.325 122.578 121.300 -0.079 0.000 2.358 668 W HA -0.114 4.560 4.660 0.022 0.000 0.303 668 W C 2.567 178.966 176.519 -0.199 0.000 1.208 668 W CA 1.843 59.126 57.345 -0.105 0.000 1.274 668 W CB -0.471 28.952 29.460 -0.061 0.000 1.138 668 W HN 0.444 nan 8.180 nan 0.000 0.515 669 K N 0.728 121.080 120.400 -0.081 0.000 2.009 669 K HA -0.285 4.048 4.320 0.023 0.000 0.210 669 K C 2.040 178.453 176.600 -0.311 0.000 1.049 669 K CA 2.061 58.226 56.287 -0.202 0.000 0.929 669 K CB -0.579 31.846 32.500 -0.125 0.000 0.714 669 K HN 0.090 nan 8.250 nan 0.000 0.440 670 E N 0.674 120.721 120.200 -0.256 0.000 2.150 670 E HA -0.184 4.180 4.350 0.023 0.000 0.193 670 E C 2.120 178.505 176.600 -0.358 0.000 0.985 670 E CA 0.607 56.872 56.400 -0.224 0.000 0.814 670 E CB -0.011 29.670 29.700 -0.032 0.000 0.752 670 E HN 0.365 nan 8.360 nan 0.000 0.466 671 L N 0.145 121.113 121.223 -0.425 0.000 2.005 671 L HA -0.160 4.194 4.340 0.023 0.000 0.207 671 L C 2.288 178.661 176.870 -0.829 0.000 1.072 671 L CA 1.074 55.547 54.840 -0.612 0.000 0.744 671 L CB -0.152 41.461 42.059 -0.743 0.000 0.895 671 L HN 0.055 nan 8.230 nan 0.000 0.433 672 V N 0.076 119.340 119.914 -1.083 0.000 2.307 672 V HA -0.252 3.882 4.120 0.023 0.000 0.245 672 V C 2.300 177.968 176.094 -0.711 0.000 1.045 672 V CA 2.117 63.658 62.300 -1.264 0.000 1.024 672 V CB -0.582 30.381 31.823 -1.434 0.000 0.651 672 V HN 0.480 nan 8.190 nan 0.000 0.449 673 E N -0.638 119.246 120.200 -0.526 0.000 2.285 673 E HA -0.067 4.297 4.350 0.023 0.000 0.194 673 E C 1.791 178.202 176.600 -0.316 0.000 0.997 673 E CA 1.039 57.231 56.400 -0.346 0.000 0.845 673 E CB 0.270 29.812 29.700 -0.262 0.000 0.782 673 E HN 0.518 nan 8.360 nan 0.000 0.491 674 V N -1.001 118.659 119.914 -0.423 0.000 3.134 674 V HA 0.107 4.241 4.120 0.023 0.000 0.222 674 V C 2.158 177.860 176.094 -0.653 0.000 1.247 674 V CA 0.824 62.813 62.300 -0.518 0.000 1.281 674 V CB -0.716 30.712 31.823 -0.658 0.000 1.169 674 V HN 0.281 nan 8.190 nan 0.000 0.512 675 G N 0.089 108.399 108.800 -0.817 0.000 2.513 675 G HA2 -0.248 3.725 3.960 0.023 0.000 0.219 675 G HA3 -0.248 3.725 3.960 0.023 0.000 0.219 675 G C 1.005 175.614 174.900 -0.485 0.000 1.160 675 G CA 1.334 46.045 45.100 -0.649 0.000 0.767 675 G HN 0.609 nan 8.290 nan 0.000 0.571 676 H N 0.080 118.957 119.070 -0.321 0.000 2.534 676 H HA 0.262 4.831 4.556 0.023 0.000 0.250 676 H C 2.004 177.314 175.328 -0.030 0.000 1.256 676 H CA 0.187 56.206 56.048 -0.048 0.000 1.000 676 H CB 0.439 30.311 29.762 0.183 0.000 1.801 676 H HN 0.318 nan 8.280 nan 0.000 0.569 677 G N 0.360 109.112 108.800 -0.081 0.000 2.499 677 G HA2 -0.240 3.734 3.960 0.023 0.000 0.221 677 G HA3 -0.240 3.734 3.960 0.023 0.000 0.221 677 G C 1.108 176.028 174.900 0.034 0.000 1.109 677 G CA 0.472 45.523 45.100 -0.081 0.000 0.749 677 G HN 0.326 nan 8.290 nan 0.000 0.568 678 D N 0.040 120.527 120.400 0.146 0.000 2.347 678 D HA 0.036 4.689 4.640 0.023 0.000 0.215 678 D C 1.744 178.176 176.300 0.221 0.000 0.976 678 D CA 0.721 54.840 54.000 0.197 0.000 0.884 678 D CB 0.148 41.123 40.800 0.293 0.000 0.915 678 D HN 0.331 nan 8.370 nan 0.000 0.526 679 K N 0.348 120.910 120.400 0.270 0.000 2.537 679 K HA 0.091 4.424 4.320 0.023 0.000 0.206 679 K C 1.465 178.200 176.600 0.225 0.000 1.041 679 K CA -0.120 56.340 56.287 0.290 0.000 1.090 679 K CB 0.793 33.591 32.500 0.497 0.000 0.833 679 K HN 0.048 nan 8.250 nan 0.000 0.493 680 K N 0.031 120.457 120.400 0.042 0.000 2.152 680 K HA -0.156 4.178 4.320 0.023 0.000 0.206 680 K C 0.740 177.288 176.600 -0.087 0.000 1.048 680 K CA 1.809 58.021 56.287 -0.125 0.000 0.933 680 K CB -0.224 32.189 32.500 -0.144 0.000 0.721 680 K HN 0.082 nan 8.250 nan 0.000 0.447 681 N N 0.838 119.521 118.700 -0.028 0.000 2.322 681 N HA 0.015 4.769 4.740 0.023 0.000 0.194 681 N C -0.772 174.697 175.510 -0.068 0.000 1.126 681 N CA -0.236 52.792 53.050 -0.036 0.000 0.845 681 N CB 0.320 38.795 38.487 -0.020 0.000 0.976 681 N HN 0.143 nan 8.380 nan 0.000 0.475 682 E N 1.638 121.762 120.200 -0.126 0.000 2.376 682 E HA 0.005 4.368 4.350 0.023 0.000 0.266 682 E C -1.331 175.000 176.600 -0.448 0.000 1.009 682 E CA -1.801 54.314 56.400 -0.475 0.000 0.902 682 E CB 0.614 29.569 29.700 -1.242 0.000 0.972 682 E HN 0.211 nan 8.360 nan 0.000 0.439 683 P HA -0.094 nan 4.420 nan 0.000 0.226 683 P C 0.962 178.240 177.300 -0.037 0.000 1.153 683 P CA 0.915 63.946 63.100 -0.115 0.000 0.777 683 P CB 0.015 31.704 31.700 -0.019 0.000 0.794 684 W N -2.109 119.194 121.300 0.005 0.000 3.139 684 W HA 0.147 4.821 4.660 0.023 0.000 0.260 684 W C -0.133 176.406 176.519 0.034 0.000 1.312 684 W CA -1.042 56.280 57.345 -0.039 0.000 1.606 684 W CB -1.442 27.924 29.460 -0.158 0.000 1.118 684 W HN -0.213 nan 8.180 nan 0.000 0.675 685 W N 4.116 125.490 121.300 0.123 0.000 2.264 685 W HA 0.163 4.836 4.660 0.022 0.000 0.331 685 W C -1.769 174.967 176.519 0.362 0.000 1.364 685 W CA -1.279 56.238 57.345 0.287 0.000 1.253 685 W CB -0.129 29.337 29.460 0.011 0.000 1.215 685 W HN -0.371 nan 8.180 nan 0.000 0.561 686 P HA 0.024 nan 4.420 nan 0.000 0.271 686 P C -0.604 176.924 177.300 0.380 0.000 1.218 686 P CA -0.113 63.257 63.100 0.451 0.000 0.780 686 P CB 0.608 32.515 31.700 0.346 0.000 0.901 687 K N 2.899 123.401 120.400 0.171 0.000 2.211 687 K HA 0.321 4.654 4.320 0.023 0.000 0.275 687 K C 0.040 176.592 176.600 -0.080 0.000 1.024 687 K CA -0.593 55.756 56.287 0.104 0.000 0.887 687 K CB 0.947 33.498 32.500 0.084 0.000 1.084 687 K HN 0.405 nan 8.250 nan 0.000 0.463 688 M N 4.488 123.977 119.600 -0.185 0.000 3.254 688 M HA 0.007 4.501 4.480 0.023 0.000 0.257 688 M C 0.640 176.848 176.300 -0.154 0.000 1.490 688 M CA 0.564 55.695 55.300 -0.282 0.000 1.620 688 M CB -0.266 32.130 32.600 -0.340 0.000 1.157 688 M HN 0.395 nan 8.290 nan 0.000 0.541 689 Q N -0.611 119.115 119.800 -0.123 0.000 2.471 689 Q HA 0.233 4.587 4.340 0.023 0.000 0.259 689 Q C 0.297 176.236 176.000 -0.102 0.000 0.850 689 Q CA 0.726 56.477 55.803 -0.085 0.000 0.981 689 Q CB 0.733 29.448 28.738 -0.037 0.000 1.180 689 Q HN 0.366 nan 8.270 nan 0.000 0.571 690 T N 0.665 115.158 114.554 -0.103 0.000 2.945 690 T HA 0.373 4.737 4.350 0.023 0.000 0.286 690 T C 0.995 175.597 174.700 -0.164 0.000 1.025 690 T CA -0.501 61.541 62.100 -0.096 0.000 1.039 690 T CB 1.808 70.657 68.868 -0.032 0.000 1.068 690 T HN -0.018 nan 8.240 nan 0.000 0.497 691 R N 0.539 120.919 120.500 -0.199 0.000 2.148 691 R HA -0.033 4.321 4.340 0.023 0.000 0.223 691 R C 1.845 178.077 176.300 -0.114 0.000 1.088 691 R CA 0.779 56.681 56.100 -0.328 0.000 0.985 691 R CB 0.035 29.924 30.300 -0.685 0.000 0.880 691 R HN 0.472 nan 8.270 nan 0.000 0.451 692 E N 0.871 121.100 120.200 0.048 0.000 2.347 692 E HA -0.122 4.241 4.350 0.023 0.000 0.196 692 E C 1.117 177.752 176.600 0.060 0.000 1.008 692 E CA 1.021 57.504 56.400 0.138 0.000 0.852 692 E CB 0.196 30.000 29.700 0.172 0.000 0.783 692 E HN 0.306 nan 8.360 nan 0.000 0.505 693 E N -0.764 119.429 120.200 -0.013 0.000 2.122 693 E HA -0.086 4.277 4.350 0.023 0.000 0.190 693 E C 1.693 178.239 176.600 -0.090 0.000 0.977 693 E CA 0.430 56.810 56.400 -0.033 0.000 0.820 693 E CB 0.016 29.675 29.700 -0.067 0.000 0.770 693 E HN 0.174 nan 8.360 nan 0.000 0.462 694 L N 0.631 121.764 121.223 -0.150 0.000 2.156 694 L HA -0.094 4.260 4.340 0.023 0.000 0.208 694 L C 2.026 178.860 176.870 -0.060 0.000 1.095 694 L CA 1.196 55.932 54.840 -0.172 0.000 0.770 694 L CB -0.092 41.820 42.059 -0.246 0.000 0.914 694 L HN -0.077 nan 8.230 nan 0.000 0.439 695 V N -0.416 119.493 119.914 -0.008 0.000 2.358 695 V HA -0.217 3.916 4.120 0.023 0.000 0.246 695 V C 2.603 178.713 176.094 0.025 0.000 1.047 695 V CA 1.697 64.016 62.300 0.033 0.000 1.035 695 V CB -0.496 31.404 31.823 0.128 0.000 0.658 695 V HN 0.472 nan 8.190 nan 0.000 0.452 696 E N 0.807 121.043 120.200 0.059 0.000 2.047 696 E HA -0.156 4.208 4.350 0.023 0.000 0.191 696 E C 2.177 178.855 176.600 0.130 0.000 0.987 696 E CA 1.675 58.132 56.400 0.095 0.000 0.799 696 E CB -0.549 29.217 29.700 0.110 0.000 0.752 696 E HN 0.479 nan 8.360 nan 0.000 0.449 697 A N -0.111 122.814 122.820 0.175 0.000 1.883 697 A HA -0.230 4.104 4.320 0.023 0.000 0.217 697 A C 2.601 180.374 177.584 0.315 0.000 1.186 697 A CA 1.685 53.957 52.037 0.392 0.000 0.624 697 A CB -1.107 18.028 19.000 0.224 0.000 0.822 697 A HN 0.508 nan 8.150 nan 0.000 0.444 698 C N -1.162 118.219 119.300 0.135 0.000 2.440 698 C HA 0.115 4.588 4.460 0.023 0.000 0.278 698 C C 3.312 178.296 174.990 -0.011 0.000 1.295 698 C CA 0.626 59.678 59.018 0.056 0.000 1.738 698 C CB -1.322 26.399 27.740 -0.033 0.000 1.987 698 C HN 0.702 nan 8.230 nan 0.000 0.492 699 A N 0.480 123.274 122.820 -0.044 0.000 1.933 699 A HA -0.100 4.234 4.320 0.023 0.000 0.218 699 A C 1.986 179.616 177.584 0.076 0.000 1.175 699 A CA 1.494 53.439 52.037 -0.154 0.000 0.628 699 A CB -0.537 18.235 19.000 -0.379 0.000 0.814 699 A HN 0.598 nan 8.150 nan 0.000 0.444 700 I N -0.371 120.311 120.570 0.187 0.000 2.202 700 I HA -0.246 3.938 4.170 0.023 0.000 0.242 700 I C 2.296 178.535 176.117 0.202 0.000 1.091 700 I CA 1.242 62.673 61.300 0.217 0.000 1.368 700 I CB -0.340 37.498 38.000 -0.269 0.000 1.058 700 I HN 0.297 nan 8.210 nan 0.000 0.410 701 I N 0.774 121.422 120.570 0.130 0.000 2.163 701 I HA -0.323 3.860 4.170 0.023 0.000 0.243 701 I C 2.472 178.606 176.117 0.027 0.000 1.085 701 I CA 1.771 63.093 61.300 0.038 0.000 1.347 701 I CB -0.287 37.705 38.000 -0.013 0.000 1.044 701 I HN 0.166 nan 8.210 nan 0.000 0.408 702 I N -0.245 120.303 120.570 -0.036 0.000 2.252 702 I HA -0.317 3.866 4.170 0.023 0.000 0.245 702 I C 2.497 178.630 176.117 0.026 0.000 1.102 702 I CA 1.373 62.554 61.300 -0.199 0.000 1.385 702 I CB -0.544 37.235 38.000 -0.369 0.000 1.064 702 I HN 0.537 nan 8.210 nan 0.000 0.414 703 W N 2.210 123.534 121.300 0.040 0.000 2.338 703 W HA -0.246 4.428 4.660 0.024 0.000 0.304 703 W C 2.214 178.833 176.519 0.167 0.000 1.212 703 W CA 2.092 59.546 57.345 0.182 0.000 1.264 703 W CB -0.421 29.294 29.460 0.425 0.000 1.142 703 W HN 0.094 nan 8.180 nan 0.000 0.512 704 T N 1.436 116.024 114.554 0.056 0.000 2.737 704 T HA -0.131 4.233 4.350 0.023 0.000 0.265 704 T C 2.076 176.753 174.700 -0.038 0.000 1.038 704 T CA 2.236 64.324 62.100 -0.021 0.000 1.144 704 T CB -0.740 68.209 68.868 0.135 0.000 0.866 704 T HN 0.238 nan 8.240 nan 0.000 0.434 705 A N 1.310 124.133 122.820 0.004 0.000 2.015 705 A HA -0.007 4.326 4.320 0.023 0.000 0.219 705 A C 2.389 179.993 177.584 0.033 0.000 1.163 705 A CA 1.837 53.881 52.037 0.013 0.000 0.646 705 A CB -0.419 18.632 19.000 0.085 0.000 0.806 705 A HN 0.596 nan 8.150 nan 0.000 0.448 706 S N -1.188 114.527 115.700 0.024 0.000 2.860 706 S HA 0.460 4.944 4.470 0.023 0.000 0.181 706 S C 2.123 176.721 174.600 -0.004 0.000 0.763 706 S CA 0.707 58.950 58.200 0.071 0.000 0.829 706 S CB -0.794 62.489 63.200 0.138 0.000 0.793 706 S HN 0.782 nan 8.310 nan 0.000 0.614 707 A N 1.035 123.753 122.820 -0.169 0.000 2.015 707 A HA 0.183 4.517 4.320 0.023 0.000 0.219 707 A C 2.207 179.487 177.584 -0.506 0.000 1.163 707 A CA 1.386 53.226 52.037 -0.328 0.000 0.646 707 A CB -0.873 17.900 19.000 -0.379 0.000 0.806 707 A HN 0.521 nan 8.150 nan 0.000 0.448 708 L N -0.954 119.826 121.223 -0.737 0.000 2.044 708 L HA -0.102 4.251 4.340 0.023 0.000 0.205 708 L C 2.374 179.199 176.870 -0.076 0.000 1.075 708 L CA 2.459 57.044 54.840 -0.425 0.000 0.747 708 L CB -0.798 41.011 42.059 -0.416 0.000 0.903 708 L HN 0.631 nan 8.230 nan 0.000 0.435 709 H N -0.475 118.530 119.070 -0.109 0.000 2.387 709 H HA -0.108 4.461 4.556 0.022 0.000 0.299 709 H C 1.859 177.195 175.328 0.014 0.000 1.090 709 H CA 1.439 57.475 56.048 -0.020 0.000 1.332 709 H CB 0.330 30.070 29.762 -0.036 0.000 1.386 709 H HN 0.458 nan 8.280 nan 0.000 0.516 710 A N 1.272 124.155 122.820 0.105 0.000 1.877 710 A HA -0.072 4.261 4.320 0.023 0.000 0.216 710 A C 2.682 180.372 177.584 0.176 0.000 1.186 710 A CA 1.763 53.977 52.037 0.295 0.000 0.620 710 A CB -1.114 18.074 19.000 0.313 0.000 0.822 710 A HN 0.550 nan 8.150 nan 0.000 0.443 711 A N -1.121 121.766 122.820 0.112 0.000 2.070 711 A HA 0.110 4.444 4.320 0.023 0.000 0.220 711 A C 2.106 179.747 177.584 0.095 0.000 1.159 711 A CA 1.726 53.860 52.037 0.163 0.000 0.656 711 A CB -0.460 18.736 19.000 0.328 0.000 0.800 711 A HN 0.376 nan 8.150 nan 0.000 0.453 712 V N -0.606 119.308 119.914 -0.000 0.000 2.795 712 V HA -0.076 4.057 4.120 0.023 0.000 0.243 712 V C 2.093 178.114 176.094 -0.122 0.000 1.069 712 V CA 1.727 64.036 62.300 0.014 0.000 1.089 712 V CB -0.449 31.381 31.823 0.012 0.000 0.756 712 V HN 0.742 nan 8.190 nan 0.000 0.471 713 N N -0.782 117.621 118.700 -0.496 0.000 2.336 713 N HA -0.017 4.737 4.740 0.023 0.000 0.177 713 N C 1.486 176.621 175.510 -0.625 0.000 1.018 713 N CA 0.626 53.198 53.050 -0.797 0.000 0.878 713 N CB 0.081 37.746 38.487 -1.369 0.000 0.997 713 N HN 0.366 nan 8.380 nan 0.000 0.433 714 F N -0.213 119.672 119.950 -0.108 0.000 2.748 714 F HA 0.252 4.791 4.527 0.021 0.000 0.299 714 F C 2.059 177.934 175.800 0.126 0.000 1.154 714 F CA 0.296 58.279 58.000 -0.028 0.000 1.446 714 F CB 0.077 39.042 39.000 -0.059 0.000 1.112 714 F HN 0.044 nan 8.300 nan 0.000 0.584 715 G N -1.302 107.680 108.800 0.303 0.000 3.233 715 G HA2 0.025 3.999 3.960 0.023 0.000 0.234 715 G HA3 0.025 3.999 3.960 0.023 0.000 0.234 715 G C 1.311 176.387 174.900 0.294 0.000 1.137 715 G CA -0.121 45.267 45.100 0.480 0.000 0.763 715 G HN 0.226 nan 8.290 nan 0.000 0.549 716 Q N -0.512 119.379 119.800 0.152 0.000 2.030 716 Q HA -0.199 4.154 4.340 0.023 0.000 0.204 716 Q C 1.910 177.957 176.000 0.079 0.000 0.986 716 Q CA 1.562 57.414 55.803 0.082 0.000 0.843 716 Q CB -0.182 28.576 28.738 0.034 0.000 0.904 716 Q HN 0.632 nan 8.270 nan 0.000 0.420 717 Y N 0.622 120.920 120.300 -0.004 0.000 2.243 717 Y HA -0.063 4.503 4.550 0.026 0.000 0.293 717 Y C -0.923 174.910 175.900 -0.112 0.000 1.124 717 Y CA 0.911 58.980 58.100 -0.052 0.000 1.159 717 Y CB -0.598 37.845 38.460 -0.030 0.000 1.008 717 Y HN 0.079 nan 8.280 nan 0.000 0.527 718 P HA -0.187 nan 4.420 nan 0.000 0.217 718 P C 0.603 177.663 177.300 -0.401 0.000 1.148 718 P CA 1.913 64.866 63.100 -0.246 0.000 0.828 718 P CB -0.096 31.346 31.700 -0.429 0.000 0.783 719 Y N -1.915 118.276 120.300 -0.181 0.000 2.464 719 Y HA 0.299 4.864 4.550 0.023 0.000 0.288 719 Y C 2.495 178.244 175.900 -0.253 0.000 1.133 719 Y CA 1.125 59.114 58.100 -0.184 0.000 1.223 719 Y CB -0.935 37.470 38.460 -0.091 0.000 1.187 719 Y HN -0.148 nan 8.280 nan 0.000 0.539 720 G N -1.056 107.688 108.800 -0.093 0.000 3.189 720 G HA2 0.130 4.103 3.960 0.023 0.000 0.225 720 G HA3 0.130 4.103 3.960 0.023 0.000 0.225 720 G C 1.679 176.323 174.900 -0.427 0.000 1.159 720 G CA 0.509 45.477 45.100 -0.219 0.000 0.763 720 G HN 0.457 nan 8.290 nan 0.000 0.549 721 G N 0.052 108.438 108.800 -0.690 0.000 2.534 721 G HA2 0.039 4.013 3.960 0.023 0.000 0.217 721 G HA3 0.039 4.013 3.960 0.023 0.000 0.217 721 G C 0.635 175.064 174.900 -0.786 0.000 1.128 721 G CA -0.073 44.286 45.100 -1.235 0.000 0.784 721 G HN 0.397 nan 8.290 nan 0.000 0.542 722 L N 1.694 122.552 121.223 -0.608 0.000 2.297 722 L HA 0.357 4.710 4.340 0.023 0.000 0.277 722 L C 1.360 177.897 176.870 -0.555 0.000 1.040 722 L CA -0.752 53.746 54.840 -0.570 0.000 0.867 722 L CB 0.967 42.661 42.059 -0.608 0.000 1.244 722 L HN 0.026 nan 8.230 nan 0.000 0.433 723 I N 3.741 124.018 120.570 -0.488 0.000 2.381 723 I HA -0.298 3.885 4.170 0.023 0.000 0.255 723 I C 1.689 177.541 176.117 -0.442 0.000 1.140 723 I CA 1.650 62.704 61.300 -0.409 0.000 1.404 723 I CB 0.082 37.884 38.000 -0.331 0.000 1.075 723 I HN 0.614 nan 8.210 nan 0.000 0.433 724 L N 0.335 121.177 121.223 -0.634 0.000 2.083 724 L HA -0.207 4.147 4.340 0.023 0.000 0.209 724 L C 2.285 178.571 176.870 -0.973 0.000 1.083 724 L CA 1.780 56.148 54.840 -0.786 0.000 0.752 724 L CB -1.429 39.833 42.059 -1.329 0.000 0.899 724 L HN 0.470 nan 8.230 nan 0.000 0.433 725 N N -0.242 117.858 118.700 -1.000 0.000 2.290 725 N HA -0.081 4.673 4.740 0.023 0.000 0.179 725 N C 0.275 175.662 175.510 -0.205 0.000 1.016 725 N CA 0.540 53.259 53.050 -0.551 0.000 0.871 725 N CB 0.362 38.583 38.487 -0.443 0.000 0.987 725 N HN 0.112 nan 8.380 nan 0.000 0.431 726 R N 1.309 121.660 120.500 -0.248 0.000 2.629 726 R HA 0.375 4.728 4.340 0.023 0.000 0.277 726 R C -2.594 173.597 176.300 -0.183 0.000 1.637 726 R CA -1.614 54.391 56.100 -0.158 0.000 1.663 726 R CB 1.275 31.491 30.300 -0.141 0.000 1.228 726 R HN 0.314 nan 8.270 nan 0.000 0.632 727 P HA 0.060 nan 4.420 nan 0.000 0.271 727 P C 0.684 177.872 177.300 -0.187 0.000 1.218 727 P CA 0.105 63.081 63.100 -0.207 0.000 0.780 727 P CB 1.053 32.621 31.700 -0.221 0.000 0.901 728 T N -0.028 114.372 114.554 -0.257 0.000 3.054 728 T HA 0.343 4.707 4.350 0.023 0.000 0.255 728 T C 0.381 174.932 174.700 -0.247 0.000 1.035 728 T CA -0.050 61.865 62.100 -0.308 0.000 0.941 728 T CB -0.117 68.308 68.868 -0.737 0.000 1.026 728 T HN 0.314 nan 8.240 nan 0.000 0.533 729 L N 0.363 121.466 121.223 -0.200 0.000 2.466 729 L HA 0.664 5.018 4.340 0.023 0.000 0.258 729 L C -1.539 175.262 176.870 -0.116 0.000 0.973 729 L CA -0.610 54.148 54.840 -0.137 0.000 0.826 729 L CB 2.431 44.390 42.059 -0.166 0.000 1.372 729 L HN -0.034 nan 8.230 nan 0.000 0.409 730 S N 2.047 117.716 115.700 -0.051 0.000 2.498 730 S HA 0.506 4.990 4.470 0.023 0.000 0.317 730 S C 0.310 174.885 174.600 -0.041 0.000 1.090 730 S CA -0.608 57.575 58.200 -0.028 0.000 1.089 730 S CB 1.758 65.046 63.200 0.146 0.000 0.997 730 S HN 0.659 nan 8.310 nan 0.000 0.470 731 R N 1.512 121.969 120.500 -0.071 0.000 2.335 731 R HA 0.294 4.647 4.340 0.023 0.000 0.210 731 R C 0.291 176.518 176.300 -0.123 0.000 0.892 731 R CA 0.298 56.341 56.100 -0.095 0.000 1.048 731 R CB 0.567 30.820 30.300 -0.079 0.000 1.067 731 R HN 0.430 nan 8.270 nan 0.000 0.524 732 R N -0.690 119.771 120.500 -0.065 0.000 2.836 732 R HA 0.364 4.717 4.340 0.023 0.000 0.269 732 R C -1.225 175.142 176.300 0.111 0.000 1.010 732 R CA -0.780 55.294 56.100 -0.043 0.000 0.930 732 R CB 1.334 31.664 30.300 0.049 0.000 1.218 732 R HN -0.190 nan 8.270 nan 0.000 0.473 733 F N 0.808 120.848 119.950 0.151 0.000 2.380 733 F HA 0.388 4.929 4.527 0.023 0.000 0.319 733 F C 0.761 176.716 175.800 0.258 0.000 1.113 733 F CA -1.207 56.882 58.000 0.150 0.000 1.056 733 F CB 0.684 39.703 39.000 0.032 0.000 1.289 733 F HN 0.286 nan 8.300 nan 0.000 0.515 734 M N 3.779 123.672 119.600 0.489 0.000 2.390 734 M HA 0.181 4.675 4.480 0.023 0.000 0.353 734 M C -2.260 174.207 176.300 0.279 0.000 1.623 734 M CA -1.577 53.901 55.300 0.297 0.000 1.065 734 M CB -0.438 32.198 32.600 0.059 0.000 2.025 734 M HN 0.148 nan 8.290 nan 0.000 0.461 735 P HA -0.116 nan 4.420 nan 0.000 0.259 735 P C -0.795 176.693 177.300 0.313 0.000 1.163 735 P CA 0.434 63.688 63.100 0.256 0.000 0.760 735 P CB 0.249 32.073 31.700 0.207 0.000 0.762 736 E N 3.337 123.692 120.200 0.257 0.000 2.351 736 E HA -0.063 4.301 4.350 0.023 0.000 0.266 736 E C 1.151 177.853 176.600 0.169 0.000 1.031 736 E CA -0.046 56.474 56.400 0.198 0.000 0.911 736 E CB 0.805 30.590 29.700 0.142 0.000 0.986 736 E HN 0.331 nan 8.360 nan 0.000 0.446 737 K N 3.017 123.443 120.400 0.042 0.000 2.227 737 K HA -0.237 4.097 4.320 0.023 0.000 0.208 737 K C 1.444 177.645 176.600 -0.665 0.000 1.045 737 K CA 2.020 58.027 56.287 -0.467 0.000 0.931 737 K CB -0.411 31.907 32.500 -0.302 0.000 0.721 737 K HN 0.456 nan 8.250 nan 0.000 0.469 738 G N -0.740 107.927 108.800 -0.222 0.000 2.848 738 G HA2 0.101 4.074 3.960 0.023 0.000 0.213 738 G HA3 0.101 4.074 3.960 0.023 0.000 0.213 738 G C 0.008 174.908 174.900 0.000 0.000 1.101 738 G CA -0.244 44.776 45.100 -0.133 0.000 0.778 738 G HN 0.267 nan 8.290 nan 0.000 0.536 739 S N 0.150 115.885 115.700 0.057 0.000 2.592 739 S HA 0.358 4.841 4.470 0.023 0.000 0.256 739 S C 1.880 176.558 174.600 0.129 0.000 1.369 739 S CA 0.109 58.367 58.200 0.097 0.000 0.984 739 S CB 1.127 64.396 63.200 0.116 0.000 0.919 739 S HN 0.437 nan 8.310 nan 0.000 0.576 740 A N 0.664 123.547 122.820 0.106 0.000 2.121 740 A HA -0.069 4.265 4.320 0.023 0.000 0.218 740 A C 1.888 179.542 177.584 0.116 0.000 1.154 740 A CA 0.887 52.984 52.037 0.100 0.000 0.679 740 A CB -0.393 18.651 19.000 0.074 0.000 0.795 740 A HN 0.725 nan 8.150 nan 0.000 0.458 741 E N -0.949 119.333 120.200 0.137 0.000 2.046 741 E HA -0.190 4.173 4.350 0.023 0.000 0.190 741 E C 1.753 178.448 176.600 0.158 0.000 0.982 741 E CA 1.302 57.784 56.400 0.137 0.000 0.800 741 E CB -0.737 29.055 29.700 0.154 0.000 0.756 741 E HN 0.778 nan 8.360 nan 0.000 0.449 742 Y N 1.846 122.191 120.300 0.075 0.000 2.274 742 Y HA -0.209 4.355 4.550 0.023 0.000 0.290 742 Y C 2.316 178.251 175.900 0.058 0.000 1.145 742 Y CA 1.843 59.987 58.100 0.074 0.000 1.203 742 Y CB 0.184 38.688 38.460 0.074 0.000 0.984 742 Y HN -0.018 nan 8.280 nan 0.000 0.533 743 E N 0.470 120.807 120.200 0.228 0.000 2.274 743 E HA -0.167 4.196 4.350 0.023 0.000 0.194 743 E C 1.969 178.606 176.600 0.062 0.000 0.996 743 E CA 1.091 57.576 56.400 0.142 0.000 0.840 743 E CB -0.197 29.578 29.700 0.125 0.000 0.772 743 E HN 0.662 nan 8.360 nan 0.000 0.491 744 E N -0.311 119.920 120.200 0.052 0.000 2.158 744 E HA -0.098 4.266 4.350 0.023 0.000 0.191 744 E C 1.947 178.542 176.600 -0.009 0.000 0.982 744 E CA 0.416 56.832 56.400 0.026 0.000 0.823 744 E CB -0.028 29.695 29.700 0.039 0.000 0.766 744 E HN 0.307 nan 8.360 nan 0.000 0.468 745 L N 0.520 121.716 121.223 -0.046 0.000 2.083 745 L HA -0.161 4.193 4.340 0.023 0.000 0.209 745 L C 2.747 179.560 176.870 -0.095 0.000 1.083 745 L CA 1.153 55.937 54.840 -0.093 0.000 0.752 745 L CB -0.205 41.730 42.059 -0.208 0.000 0.899 745 L HN 0.132 nan 8.230 nan 0.000 0.433 746 R N -0.595 119.853 120.500 -0.087 0.000 2.075 746 R HA -0.139 4.214 4.340 0.023 0.000 0.232 746 R C 2.240 178.524 176.300 -0.027 0.000 1.126 746 R CA 0.996 57.067 56.100 -0.048 0.000 0.963 746 R CB -0.084 30.216 30.300 0.000 0.000 0.858 746 R HN 0.129 nan 8.270 nan 0.000 0.435 747 K N 0.374 120.765 120.400 -0.015 0.000 1.991 747 K HA -0.002 4.331 4.320 0.023 0.000 0.208 747 K C 0.785 177.368 176.600 -0.028 0.000 1.038 747 K CA 1.063 57.343 56.287 -0.012 0.000 0.943 747 K CB -0.089 32.413 32.500 0.003 0.000 0.736 747 K HN -0.081 nan 8.250 nan 0.000 0.440 748 N N 0.469 119.152 118.700 -0.029 0.000 2.904 748 N HA 0.188 4.941 4.740 0.023 0.000 0.257 748 N C -2.337 173.140 175.510 -0.056 0.000 1.363 748 N CA -1.994 51.029 53.050 -0.046 0.000 0.856 748 N CB 0.991 39.460 38.487 -0.029 0.000 1.166 748 N HN -0.092 nan 8.380 nan 0.000 0.499 749 P HA -0.183 nan 4.420 nan 0.000 0.218 749 P C 1.013 178.256 177.300 -0.095 0.000 1.148 749 P CA 1.176 64.234 63.100 -0.070 0.000 0.822 749 P CB 0.737 32.384 31.700 -0.087 0.000 0.784 750 Q N 0.156 119.799 119.800 -0.262 0.000 2.030 750 Q HA -0.198 4.155 4.340 0.023 0.000 0.204 750 Q C 2.370 178.310 176.000 -0.101 0.000 0.986 750 Q CA 1.757 57.256 55.803 -0.506 0.000 0.843 750 Q CB -0.389 27.924 28.738 -0.708 0.000 0.904 750 Q HN 0.105 nan 8.270 nan 0.000 0.420 751 K N 0.754 121.132 120.400 -0.036 0.000 2.211 751 K HA -0.069 4.264 4.320 0.023 0.000 0.203 751 K C 1.698 178.350 176.600 0.086 0.000 1.050 751 K CA 1.228 57.550 56.287 0.059 0.000 0.945 751 K CB -0.295 32.227 32.500 0.037 0.000 0.732 751 K HN 0.190 nan 8.250 nan 0.000 0.451 752 A N -0.533 122.326 122.820 0.066 0.000 1.930 752 A HA -0.134 4.199 4.320 0.023 0.000 0.217 752 A C 2.141 179.794 177.584 0.116 0.000 1.175 752 A CA 1.367 53.449 52.037 0.074 0.000 0.627 752 A CB -0.837 18.193 19.000 0.050 0.000 0.815 752 A HN 0.518 nan 8.150 nan 0.000 0.443 753 Y N -0.161 120.177 120.300 0.062 0.000 2.263 753 Y HA -0.067 4.496 4.550 0.022 0.000 0.292 753 Y C 1.874 177.859 175.900 0.141 0.000 1.130 753 Y CA 1.095 59.272 58.100 0.128 0.000 1.179 753 Y CB 0.025 38.674 38.460 0.315 0.000 0.998 753 Y HN 0.178 nan 8.280 nan 0.000 0.532 754 L N 0.537 121.939 121.223 0.298 0.000 2.141 754 L HA -0.157 4.197 4.340 0.023 0.000 0.209 754 L C 1.899 178.819 176.870 0.084 0.000 1.094 754 L CA 1.671 56.643 54.840 0.221 0.000 0.763 754 L CB -1.065 41.179 42.059 0.308 0.000 0.908 754 L HN 0.228 nan 8.230 nan 0.000 0.437 755 K N -1.513 118.919 120.400 0.054 0.000 2.418 755 K HA -0.001 4.333 4.320 0.023 0.000 0.195 755 K C 1.822 178.399 176.600 -0.038 0.000 1.035 755 K CA 0.786 57.084 56.287 0.017 0.000 1.003 755 K CB 0.089 32.608 32.500 0.031 0.000 0.793 755 K HN 0.243 nan 8.250 nan 0.000 0.494 756 T N 1.491 115.986 114.554 -0.099 0.000 2.939 756 T HA 0.074 4.437 4.350 0.023 0.000 0.254 756 T C 1.234 175.794 174.700 -0.233 0.000 1.041 756 T CA 0.411 62.410 62.100 -0.167 0.000 1.142 756 T CB -0.075 68.630 68.868 -0.271 0.000 0.874 756 T HN 0.237 nan 8.240 nan 0.000 0.452 757 I N 0.081 120.473 120.570 -0.298 0.000 3.562 757 I HA 0.384 4.568 4.170 0.023 0.000 0.285 757 I C -0.057 175.964 176.117 -0.161 0.000 1.211 757 I CA -1.025 60.106 61.300 -0.281 0.000 0.887 757 I CB 0.059 37.832 38.000 -0.378 0.000 1.581 757 I HN -0.188 nan 8.210 nan 0.000 0.735 758 T N 3.722 118.177 114.554 -0.165 0.000 2.905 758 T HA 0.107 4.470 4.350 0.023 0.000 0.299 758 T C -2.057 172.607 174.700 -0.060 0.000 1.024 758 T CA -0.345 61.671 62.100 -0.140 0.000 1.151 758 T CB -0.522 68.229 68.868 -0.195 0.000 0.987 758 T HN 0.524 nan 8.240 nan 0.000 0.535 759 P HA 0.113 nan 4.420 nan 0.000 0.274 759 P C 0.866 178.134 177.300 -0.054 0.000 1.260 759 P CA -0.522 62.554 63.100 -0.041 0.000 0.793 759 P CB 0.974 32.633 31.700 -0.068 0.000 1.048 760 K N -0.064 120.244 120.400 -0.154 0.000 2.026 760 K HA -0.176 4.157 4.320 0.023 0.000 0.208 760 K C 1.988 178.431 176.600 -0.261 0.000 1.048 760 K CA 1.320 57.413 56.287 -0.324 0.000 0.929 760 K CB -0.557 31.598 32.500 -0.575 0.000 0.713 760 K HN 0.269 nan 8.250 nan 0.000 0.439 761 F N 2.094 121.651 119.950 -0.655 0.000 2.075 761 F HA -0.190 4.349 4.527 0.020 0.000 0.297 761 F C 2.038 177.608 175.800 -0.383 0.000 1.113 761 F CA 1.684 59.187 58.000 -0.828 0.000 1.218 761 F CB -0.524 37.890 39.000 -0.977 0.000 0.984 761 F HN 0.088 nan 8.300 nan 0.000 0.472 762 Q N -0.188 119.334 119.800 -0.463 0.000 2.226 762 Q HA -0.115 4.239 4.340 0.023 0.000 0.204 762 Q C 2.168 177.945 176.000 -0.372 0.000 0.975 762 Q CA 2.047 57.563 55.803 -0.478 0.000 0.866 762 Q CB -0.912 27.641 28.738 -0.307 0.000 0.915 762 Q HN 0.380 nan 8.270 nan 0.000 0.440 763 T N 0.184 114.590 114.554 -0.246 0.000 2.821 763 T HA -0.028 4.336 4.350 0.023 0.000 0.267 763 T C 1.588 176.167 174.700 -0.201 0.000 1.046 763 T CA 0.741 62.739 62.100 -0.170 0.000 1.139 763 T CB -0.102 68.791 68.868 0.041 0.000 0.871 763 T HN 0.188 nan 8.240 nan 0.000 0.454 764 L N 0.154 121.275 121.223 -0.170 0.000 2.217 764 L HA 0.078 4.432 4.340 0.023 0.000 0.211 764 L C 2.230 179.027 176.870 -0.121 0.000 1.107 764 L CA 0.885 55.674 54.840 -0.085 0.000 0.783 764 L CB -0.429 41.682 42.059 0.086 0.000 0.919 764 L HN 0.282 nan 8.230 nan 0.000 0.442 765 I N -0.483 119.914 120.570 -0.289 0.000 2.333 765 I HA -0.228 3.955 4.170 0.023 0.000 0.246 765 I C 2.137 178.166 176.117 -0.147 0.000 1.106 765 I CA 1.105 62.258 61.300 -0.245 0.000 1.411 765 I CB -0.235 37.515 38.000 -0.418 0.000 1.082 765 I HN 0.214 nan 8.210 nan 0.000 0.420 766 D N 1.179 121.455 120.400 -0.207 0.000 2.097 766 D HA -0.186 4.468 4.640 0.023 0.000 0.195 766 D C 2.071 178.315 176.300 -0.094 0.000 0.989 766 D CA 1.455 55.356 54.000 -0.164 0.000 0.827 766 D CB 0.066 40.707 40.800 -0.265 0.000 0.966 766 D HN 0.007 nan 8.370 nan 0.000 0.456 767 L N 0.236 121.354 121.223 -0.175 0.000 2.083 767 L HA -0.102 4.251 4.340 0.023 0.000 0.209 767 L C 2.557 179.493 176.870 0.111 0.000 1.083 767 L CA 1.313 56.054 54.840 -0.166 0.000 0.752 767 L CB -0.742 40.897 42.059 -0.700 0.000 0.899 767 L HN 0.002 nan 8.230 nan 0.000 0.433 768 S N -1.364 114.438 115.700 0.168 0.000 2.355 768 S HA -0.132 4.352 4.470 0.023 0.000 0.222 768 S C 2.035 176.783 174.600 0.246 0.000 1.031 768 S CA 1.308 59.727 58.200 0.365 0.000 0.993 768 S CB -0.254 63.153 63.200 0.344 0.000 0.859 768 S HN 0.213 nan 8.310 nan 0.000 0.453 769 V N 3.027 123.028 119.914 0.144 0.000 2.307 769 V HA -0.121 4.013 4.120 0.023 0.000 0.245 769 V C 2.139 178.303 176.094 0.116 0.000 1.045 769 V CA 1.749 64.116 62.300 0.112 0.000 1.024 769 V CB -0.772 31.096 31.823 0.074 0.000 0.651 769 V HN 0.661 nan 8.190 nan 0.000 0.449 770 I N -2.033 118.615 120.570 0.130 0.000 3.176 770 I HA -0.055 4.129 4.170 0.023 0.000 0.275 770 I C 2.098 178.329 176.117 0.190 0.000 1.298 770 I CA 1.450 62.835 61.300 0.142 0.000 1.445 770 I CB -0.413 37.666 38.000 0.132 0.000 1.075 770 I HN 0.309 nan 8.210 nan 0.000 0.482 771 E N 1.728 122.045 120.200 0.195 0.000 2.112 771 E HA -0.085 4.279 4.350 0.023 0.000 0.190 771 E C 2.222 178.828 176.600 0.010 0.000 0.979 771 E CA 0.968 57.387 56.400 0.031 0.000 0.814 771 E CB 0.099 29.806 29.700 0.012 0.000 0.762 771 E HN 0.661 nan 8.360 nan 0.000 0.460 772 I N 0.644 121.250 120.570 0.061 0.000 2.233 772 I HA -0.240 3.944 4.170 0.023 0.000 0.243 772 I C 2.158 178.304 176.117 0.049 0.000 1.093 772 I CA 0.387 61.713 61.300 0.044 0.000 1.380 772 I CB -0.124 37.908 38.000 0.053 0.000 1.067 772 I HN 0.139 nan 8.210 nan 0.000 0.413 773 L N 0.430 121.683 121.223 0.050 0.000 2.079 773 L HA -0.187 4.167 4.340 0.023 0.000 0.210 773 L C 2.338 179.170 176.870 -0.062 0.000 1.081 773 L CA 1.729 56.577 54.840 0.013 0.000 0.752 773 L CB -0.938 41.123 42.059 0.005 0.000 0.896 773 L HN 0.120 nan 8.230 nan 0.000 0.433 774 S N -1.458 114.242 115.700 -0.001 0.000 2.631 774 S HA 0.072 4.556 4.470 0.023 0.000 0.217 774 S C 0.919 175.622 174.600 0.171 0.000 0.958 774 S CA -0.118 58.123 58.200 0.069 0.000 0.920 774 S CB -0.214 63.063 63.200 0.128 0.000 0.776 774 S HN 0.282 nan 8.310 nan 0.000 0.517 775 R N 1.637 122.199 120.500 0.103 0.000 2.474 775 R HA 0.241 4.594 4.340 0.023 0.000 0.295 775 R C -0.922 175.412 176.300 0.057 0.000 0.980 775 R CA -0.510 55.627 56.100 0.062 0.000 0.934 775 R CB 0.490 30.812 30.300 0.037 0.000 1.101 775 R HN 0.236 nan 8.270 nan 0.000 0.469 776 H N 1.716 120.854 119.070 0.112 0.000 2.489 776 H HA 0.265 4.834 4.556 0.022 0.000 0.322 776 H C -0.074 175.267 175.328 0.022 0.000 1.091 776 H CA -0.225 55.855 56.048 0.053 0.000 1.291 776 H CB 1.722 31.493 29.762 0.015 0.000 1.436 776 H HN 0.732 nan 8.280 nan 0.000 0.480 777 A N 2.070 124.954 122.820 0.106 0.000 2.366 777 A HA 0.096 4.430 4.320 0.023 0.000 0.249 777 A C 1.470 179.071 177.584 0.028 0.000 1.084 777 A CA 0.173 52.210 52.037 -0.001 0.000 0.794 777 A CB 0.221 19.157 19.000 -0.106 0.000 1.034 777 A HN 0.840 nan 8.150 nan 0.000 0.491 778 S N -0.194 115.507 115.700 0.001 0.000 2.453 778 S HA -0.098 4.386 4.470 0.023 0.000 0.231 778 S C 0.565 175.184 174.600 0.032 0.000 1.005 778 S CA 1.122 59.338 58.200 0.026 0.000 0.949 778 S CB -0.280 62.930 63.200 0.016 0.000 0.774 778 S HN 0.786 nan 8.310 nan 0.000 0.510 779 D N 0.619 121.029 120.400 0.016 0.000 2.491 779 D HA 0.234 4.888 4.640 0.023 0.000 0.228 779 D C 0.002 176.294 176.300 -0.012 0.000 1.183 779 D CA -0.474 53.544 54.000 0.029 0.000 0.827 779 D CB -0.394 40.446 40.800 0.067 0.000 0.989 779 D HN 0.404 nan 8.370 nan 0.000 0.494 780 E N 0.275 120.441 120.200 -0.056 0.000 2.344 780 E HA 0.203 4.566 4.350 0.023 0.000 0.270 780 E C -0.734 175.690 176.600 -0.293 0.000 1.021 780 E CA -0.423 55.833 56.400 -0.240 0.000 0.887 780 E CB 1.052 30.499 29.700 -0.422 0.000 0.997 780 E HN -0.030 nan 8.360 nan 0.000 0.429 781 V N 6.459 126.188 119.914 -0.309 0.000 2.348 781 V HA 0.206 4.339 4.120 0.023 0.000 0.270 781 V C -0.537 175.394 176.094 -0.271 0.000 1.037 781 V CA -0.572 61.615 62.300 -0.188 0.000 0.872 781 V CB -0.274 31.461 31.823 -0.147 0.000 1.002 781 V HN 0.595 nan 8.190 nan 0.000 0.464 782 Y N 2.975 123.226 120.300 -0.082 0.000 2.316 782 Y HA 0.276 4.839 4.550 0.021 0.000 0.324 782 Y C 1.035 176.901 175.900 -0.058 0.000 1.267 782 Y CA -0.536 57.513 58.100 -0.084 0.000 1.311 782 Y CB 0.835 39.213 38.460 -0.137 0.000 1.267 782 Y HN 0.476 nan 8.280 nan 0.000 0.516 783 L N 1.909 123.215 121.223 0.140 0.000 2.129 783 L HA -0.049 4.304 4.340 0.023 0.000 0.212 783 L C 1.804 178.650 176.870 -0.039 0.000 1.087 783 L CA 1.611 56.523 54.840 0.120 0.000 0.757 783 L CB -1.006 41.136 42.059 0.138 0.000 0.896 783 L HN 0.882 nan 8.230 nan 0.000 0.434 784 G N 0.629 109.368 108.800 -0.102 0.000 2.554 784 G HA2 -0.042 3.932 3.960 0.023 0.000 0.280 784 G HA3 -0.042 3.932 3.960 0.023 0.000 0.280 784 G C 0.711 175.424 174.900 -0.312 0.000 0.635 784 G CA 0.534 45.478 45.100 -0.260 0.000 2.103 784 G HN 0.785 nan 8.290 nan 0.000 0.551 785 E N -0.477 119.446 120.200 -0.463 0.000 2.670 785 E HA -0.315 4.048 4.350 0.023 0.000 0.257 785 E C 0.372 176.813 176.600 -0.264 0.000 1.186 785 E CA 0.968 56.970 56.400 -0.664 0.000 0.734 785 E CB -1.433 27.621 29.700 -1.076 0.000 1.325 785 E HN 0.644 nan 8.360 nan 0.000 0.426 786 R N 0.557 121.054 120.500 -0.005 0.000 2.390 786 R HA 0.394 4.747 4.340 0.023 0.000 0.291 786 R C -0.196 176.197 176.300 0.155 0.000 1.070 786 R CA 0.375 56.520 56.100 0.075 0.000 1.014 786 R CB 0.902 31.229 30.300 0.046 0.000 1.007 786 R HN 0.249 nan 8.270 nan 0.000 0.466 787 D N -0.641 119.848 120.400 0.148 0.000 3.374 787 D HA 0.282 4.936 4.640 0.023 0.000 0.259 787 D C 0.217 176.554 176.300 0.062 0.000 1.376 787 D CA -0.522 53.481 54.000 0.005 0.000 1.030 787 D CB 1.055 41.792 40.800 -0.106 0.000 1.281 787 D HN 0.322 nan 8.370 nan 0.000 0.637 788 N N -1.255 117.509 118.700 0.106 0.000 2.909 788 N HA 0.291 5.044 4.740 0.023 0.000 0.243 788 N C -1.636 173.994 175.510 0.200 0.000 1.018 788 N CA 0.407 53.546 53.050 0.148 0.000 1.068 788 N CB -0.306 38.276 38.487 0.158 0.000 1.651 788 N HN 0.317 nan 8.380 nan 0.000 0.509 789 P HA 0.312 nan 4.420 nan 0.000 0.532 789 P C -0.935 176.543 177.300 0.297 0.000 0.564 789 P CA 0.210 63.460 63.100 0.250 0.000 2.495 789 P CB 0.618 32.444 31.700 0.209 0.000 1.138 790 N N 0.995 119.849 118.700 0.255 0.000 2.914 790 N HA 0.145 4.898 4.740 0.023 0.000 0.304 790 N C 0.767 176.401 175.510 0.207 0.000 1.727 790 N CA -0.516 52.623 53.050 0.148 0.000 0.986 790 N CB -0.266 38.243 38.487 0.037 0.000 1.297 790 N HN 0.404 nan 8.380 nan 0.000 0.490 791 W N -0.648 120.724 121.300 0.120 0.000 2.421 791 W HA 0.070 4.744 4.660 0.023 0.000 0.270 791 W C -0.265 176.305 176.519 0.085 0.000 1.233 791 W CA 0.305 57.713 57.345 0.106 0.000 1.226 791 W CB -0.554 28.956 29.460 0.083 0.000 1.121 791 W HN 0.117 nan 8.180 nan 0.000 0.579 792 T N -0.040 114.272 114.554 -0.403 0.000 2.889 792 T HA 0.269 4.632 4.350 0.023 0.000 0.315 792 T C 0.692 175.193 174.700 -0.332 0.000 1.291 792 T CA 0.146 62.016 62.100 -0.383 0.000 1.028 792 T CB 1.472 69.993 68.868 -0.577 0.000 1.235 792 T HN -0.037 nan 8.240 nan 0.000 0.491 793 S N 1.458 117.027 115.700 -0.219 0.000 2.548 793 S HA 0.152 4.636 4.470 0.023 0.000 0.215 793 S C 0.478 174.987 174.600 -0.152 0.000 0.976 793 S CA -0.112 57.990 58.200 -0.163 0.000 0.908 793 S CB -0.017 63.107 63.200 -0.126 0.000 0.781 793 S HN 0.694 nan 8.310 nan 0.000 0.519 794 D N 2.454 122.750 120.400 -0.173 0.000 2.348 794 D HA 0.181 4.835 4.640 0.023 0.000 0.259 794 D C 0.710 176.933 176.300 -0.130 0.000 1.296 794 D CA 0.289 54.213 54.000 -0.126 0.000 0.931 794 D CB 0.953 41.715 40.800 -0.063 0.000 1.067 794 D HN 0.095 nan 8.370 nan 0.000 0.503 795 T N 3.960 118.458 114.554 -0.093 0.000 2.803 795 T HA -0.160 4.203 4.350 0.023 0.000 0.269 795 T C 1.874 176.559 174.700 -0.025 0.000 1.052 795 T CA 1.098 63.163 62.100 -0.059 0.000 1.136 795 T CB 0.141 68.983 68.868 -0.044 0.000 0.864 795 T HN 0.461 nan 8.240 nan 0.000 0.467 796 R N 1.071 121.545 120.500 -0.043 0.000 2.075 796 R HA 0.083 4.436 4.340 0.023 0.000 0.232 796 R C 2.788 179.122 176.300 0.057 0.000 1.126 796 R CA 1.262 57.352 56.100 -0.018 0.000 0.963 796 R CB -0.415 29.830 30.300 -0.092 0.000 0.858 796 R HN 0.322 nan 8.270 nan 0.000 0.435 797 A N 1.133 123.980 122.820 0.046 0.000 1.898 797 A HA -0.111 4.223 4.320 0.023 0.000 0.216 797 A C 1.993 179.792 177.584 0.359 0.000 1.181 797 A CA 1.017 53.191 52.037 0.229 0.000 0.620 797 A CB -0.317 18.783 19.000 0.165 0.000 0.819 797 A HN 0.082 nan 8.150 nan 0.000 0.442 798 L N -0.305 121.000 121.223 0.137 0.000 2.083 798 L HA -0.132 4.222 4.340 0.023 0.000 0.209 798 L C 2.350 179.396 176.870 0.293 0.000 1.083 798 L CA 2.199 57.163 54.840 0.205 0.000 0.752 798 L CB -1.071 41.006 42.059 0.031 0.000 0.899 798 L HN 0.444 nan 8.230 nan 0.000 0.433 799 E N -0.798 119.525 120.200 0.206 0.000 2.107 799 E HA -0.062 4.301 4.350 0.023 0.000 0.191 799 E C 2.236 178.983 176.600 0.245 0.000 0.982 799 E CA 1.095 57.602 56.400 0.178 0.000 0.809 799 E CB -0.140 29.628 29.700 0.113 0.000 0.756 799 E HN 0.386 nan 8.360 nan 0.000 0.459 800 A N -0.247 122.784 122.820 0.353 0.000 1.969 800 A HA -0.133 4.201 4.320 0.023 0.000 0.218 800 A C 1.989 179.891 177.584 0.531 0.000 1.169 800 A CA 0.992 53.312 52.037 0.471 0.000 0.635 800 A CB -0.677 18.686 19.000 0.604 0.000 0.810 800 A HN 0.382 nan 8.150 nan 0.000 0.445 801 F N 0.472 120.601 119.950 0.298 0.000 2.206 801 F HA 0.005 4.545 4.527 0.022 0.000 0.298 801 F C 2.058 177.871 175.800 0.023 0.000 1.090 801 F CA 1.327 59.310 58.000 -0.029 0.000 1.323 801 F CB -0.051 39.085 39.000 0.226 0.000 1.028 801 F HN 0.015 nan 8.300 nan 0.000 0.492 802 K N 0.296 120.722 120.400 0.044 0.000 2.097 802 K HA -0.130 4.204 4.320 0.023 0.000 0.205 802 K C 2.329 178.884 176.600 -0.075 0.000 1.050 802 K CA 0.899 57.134 56.287 -0.087 0.000 0.938 802 K CB -0.440 32.064 32.500 0.007 0.000 0.718 802 K HN 0.247 nan 8.250 nan 0.000 0.442 803 R N -0.406 120.119 120.500 0.042 0.000 2.096 803 R HA -0.126 4.227 4.340 0.023 0.000 0.235 803 R C 2.207 178.551 176.300 0.075 0.000 1.127 803 R CA 1.143 57.285 56.100 0.069 0.000 0.968 803 R CB -0.276 30.111 30.300 0.145 0.000 0.861 803 R HN 0.087 nan 8.270 nan 0.000 0.440 804 F N 0.311 120.183 119.950 -0.131 0.000 2.075 804 F HA -0.042 4.498 4.527 0.023 0.000 0.297 804 F C 2.058 177.698 175.800 -0.267 0.000 1.113 804 F CA 1.841 59.717 58.000 -0.207 0.000 1.218 804 F CB -1.048 37.663 39.000 -0.482 0.000 0.984 804 F HN 0.024 nan 8.300 nan 0.000 0.472 805 G N 0.209 108.687 108.800 -0.537 0.000 2.432 805 G HA2 -0.345 3.628 3.960 0.023 0.000 0.219 805 G HA3 -0.345 3.628 3.960 0.023 0.000 0.219 805 G C 1.702 176.386 174.900 -0.360 0.000 1.135 805 G CA 0.836 45.582 45.100 -0.591 0.000 0.767 805 G HN 0.493 nan 8.290 nan 0.000 0.550 806 N N 1.411 119.973 118.700 -0.230 0.000 2.142 806 N HA -0.111 4.643 4.740 0.023 0.000 0.186 806 N C 2.203 177.640 175.510 -0.121 0.000 1.023 806 N CA 1.512 54.477 53.050 -0.142 0.000 0.852 806 N CB -0.152 38.288 38.487 -0.079 0.000 0.998 806 N HN 0.482 nan 8.380 nan 0.000 0.424 807 K N -0.075 120.265 120.400 -0.100 0.000 2.288 807 K HA -0.069 4.265 4.320 0.023 0.000 0.201 807 K C 1.875 178.411 176.600 -0.106 0.000 1.048 807 K CA 0.440 56.692 56.287 -0.058 0.000 0.956 807 K CB -0.064 32.452 32.500 0.027 0.000 0.746 807 K HN 0.063 nan 8.250 nan 0.000 0.461 808 L N 1.840 122.927 121.223 -0.227 0.000 2.072 808 L HA 0.031 4.385 4.340 0.023 0.000 0.205 808 L C 2.625 179.385 176.870 -0.183 0.000 1.079 808 L CA 1.721 56.409 54.840 -0.253 0.000 0.752 808 L CB -1.033 40.750 42.059 -0.459 0.000 0.906 808 L HN 0.287 nan 8.230 nan 0.000 0.436 809 A N -1.316 121.391 122.820 -0.187 0.000 1.972 809 A HA -0.246 4.087 4.320 0.023 0.000 0.219 809 A C 2.178 179.701 177.584 -0.101 0.000 1.169 809 A CA 1.637 53.587 52.037 -0.145 0.000 0.635 809 A CB -0.399 18.517 19.000 -0.141 0.000 0.810 809 A HN 0.577 nan 8.150 nan 0.000 0.446 810 Q N -0.862 118.887 119.800 -0.084 0.000 2.137 810 Q HA -0.018 4.335 4.340 0.023 0.000 0.198 810 Q C 1.903 177.879 176.000 -0.040 0.000 0.960 810 Q CA 0.822 56.593 55.803 -0.053 0.000 0.847 810 Q CB -0.158 28.558 28.738 -0.037 0.000 0.915 810 Q HN 0.557 nan 8.270 nan 0.000 0.448 811 I N 1.265 121.809 120.570 -0.043 0.000 2.226 811 I HA -0.254 3.930 4.170 0.023 0.000 0.245 811 I C 2.282 178.382 176.117 -0.029 0.000 1.100 811 I CA 1.458 62.746 61.300 -0.020 0.000 1.374 811 I CB -0.990 37.002 38.000 -0.014 0.000 1.057 811 I HN 0.332 nan 8.210 nan 0.000 0.413 812 E N 1.386 121.550 120.200 -0.059 0.000 2.033 812 E HA -0.277 4.086 4.350 0.023 0.000 0.199 812 E C 1.925 178.496 176.600 -0.049 0.000 1.011 812 E CA 2.200 58.560 56.400 -0.068 0.000 0.815 812 E CB -0.082 29.558 29.700 -0.100 0.000 0.755 812 E HN 0.503 nan 8.360 nan 0.000 0.451 813 N N 0.115 118.787 118.700 -0.047 0.000 2.104 813 N HA -0.174 4.579 4.740 0.023 0.000 0.190 813 N C 1.702 177.202 175.510 -0.016 0.000 1.024 813 N CA 1.095 54.124 53.050 -0.034 0.000 0.853 813 N CB -0.045 38.421 38.487 -0.034 0.000 1.008 813 N HN -0.004 nan 8.380 nan 0.000 0.424 814 K N 0.747 121.141 120.400 -0.011 0.000 2.063 814 K HA -0.102 4.232 4.320 0.023 0.000 0.208 814 K C 1.552 178.162 176.600 0.017 0.000 1.048 814 K CA 1.105 57.395 56.287 0.006 0.000 0.928 814 K CB -0.296 32.212 32.500 0.013 0.000 0.713 814 K HN 0.119 nan 8.250 nan 0.000 0.442 815 L N 0.935 122.166 121.223 0.014 0.000 2.093 815 L HA -0.039 4.314 4.340 0.023 0.000 0.208 815 L C 2.358 179.244 176.870 0.026 0.000 1.085 815 L CA 1.338 56.196 54.840 0.029 0.000 0.755 815 L CB -0.991 41.078 42.059 0.017 0.000 0.904 815 L HN 0.032 nan 8.230 nan 0.000 0.435 816 S N -0.246 115.457 115.700 0.005 0.000 2.399 816 S HA -0.197 4.286 4.470 0.023 0.000 0.231 816 S C 1.753 176.362 174.600 0.016 0.000 1.022 816 S CA 1.300 59.502 58.200 0.004 0.000 0.983 816 S CB -0.170 63.021 63.200 -0.014 0.000 0.803 816 S HN 0.712 nan 8.310 nan 0.000 0.480 817 E N 1.091 121.300 120.200 0.016 0.000 2.285 817 E HA 0.018 4.381 4.350 0.023 0.000 0.194 817 E C 1.944 178.562 176.600 0.031 0.000 0.997 817 E CA 0.445 56.857 56.400 0.019 0.000 0.845 817 E CB -0.138 29.570 29.700 0.013 0.000 0.782 817 E HN 0.311 nan 8.360 nan 0.000 0.491 818 R N 0.694 121.218 120.500 0.041 0.000 2.090 818 R HA 0.038 4.392 4.340 0.023 0.000 0.228 818 R C 1.752 178.091 176.300 0.066 0.000 1.110 818 R CA 1.557 57.690 56.100 0.055 0.000 0.973 818 R CB -0.288 30.054 30.300 0.069 0.000 0.869 818 R HN 0.350 nan 8.270 nan 0.000 0.440 819 N N 0.277 119.019 118.700 0.070 0.000 2.459 819 N HA -0.084 4.670 4.740 0.023 0.000 0.181 819 N C 0.717 176.264 175.510 0.061 0.000 1.046 819 N CA 0.657 53.755 53.050 0.080 0.000 0.904 819 N CB -0.002 38.533 38.487 0.081 0.000 0.964 819 N HN 0.310 nan 8.380 nan 0.000 0.444 820 N N 0.079 118.806 118.700 0.046 0.000 2.280 820 N HA -0.019 4.734 4.740 0.023 0.000 0.192 820 N C -0.717 174.813 175.510 0.034 0.000 1.109 820 N CA -0.101 52.970 53.050 0.036 0.000 0.855 820 N CB 0.458 38.960 38.487 0.026 0.000 0.974 820 N HN 0.079 nan 8.380 nan 0.000 0.482 821 D N 1.177 121.601 120.400 0.039 0.000 2.380 821 D HA 0.020 4.674 4.640 0.023 0.000 0.230 821 D C 0.467 176.789 176.300 0.037 0.000 1.154 821 D CA -0.251 53.769 54.000 0.034 0.000 0.859 821 D CB 0.940 41.761 40.800 0.035 0.000 1.045 821 D HN 0.166 nan 8.370 nan 0.000 0.495 822 E N 2.633 122.852 120.200 0.032 0.000 2.472 822 E HA -0.111 4.253 4.350 0.023 0.000 0.200 822 E C 1.068 177.686 176.600 0.030 0.000 1.046 822 E CA 0.943 57.362 56.400 0.032 0.000 0.871 822 E CB -0.066 29.651 29.700 0.028 0.000 0.806 822 E HN 0.415 nan 8.360 nan 0.000 0.533 823 K N 0.289 120.705 120.400 0.028 0.000 2.305 823 K HA 0.161 4.494 4.320 0.023 0.000 0.199 823 K C 0.338 176.954 176.600 0.026 0.000 1.047 823 K CA 0.319 56.620 56.287 0.024 0.000 0.976 823 K CB 0.191 32.703 32.500 0.020 0.000 0.765 823 K HN 0.186 nan 8.250 nan 0.000 0.474 824 L N 2.062 123.306 121.223 0.034 0.000 2.719 824 L HA 0.220 4.574 4.340 0.023 0.000 0.236 824 L C 0.692 177.590 176.870 0.046 0.000 1.285 824 L CA -0.392 54.472 54.840 0.039 0.000 1.222 824 L CB 0.182 42.271 42.059 0.049 0.000 1.493 824 L HN -0.084 nan 8.230 nan 0.000 0.415 825 R N 0.292 120.816 120.500 0.039 0.000 2.328 825 R HA 0.029 4.383 4.340 0.023 0.000 0.200 825 R C 0.922 177.252 176.300 0.050 0.000 0.983 825 R CA 0.142 56.270 56.100 0.047 0.000 1.062 825 R CB -0.215 30.111 30.300 0.043 0.000 0.956 825 R HN 0.449 nan 8.270 nan 0.000 0.479 826 N N 0.571 119.294 118.700 0.038 0.000 2.467 826 N HA -0.008 4.745 4.740 0.023 0.000 0.184 826 N C 1.287 176.833 175.510 0.059 0.000 1.106 826 N CA 0.400 53.465 53.050 0.025 0.000 0.892 826 N CB 0.119 38.596 38.487 -0.017 0.000 0.969 826 N HN 0.233 nan 8.380 nan 0.000 0.454 827 R N -1.002 119.553 120.500 0.090 0.000 2.200 827 R HA 0.158 4.512 4.340 0.023 0.000 0.208 827 R C 1.186 177.607 176.300 0.201 0.000 1.033 827 R CA 0.612 56.805 56.100 0.155 0.000 1.000 827 R CB 0.154 30.545 30.300 0.152 0.000 0.906 827 R HN 0.239 nan 8.270 nan 0.000 0.462 828 C N -1.413 117.976 119.300 0.149 0.000 2.374 828 C HA 0.420 4.893 4.460 0.023 0.000 0.412 828 C C 1.101 176.169 174.990 0.130 0.000 1.421 828 C CA 0.356 59.461 59.018 0.144 0.000 2.484 828 C CB 0.159 27.963 27.740 0.105 0.000 2.598 828 C HN 0.713 nan 8.230 nan 0.000 0.584 829 G N 1.887 110.747 108.800 0.100 0.000 2.828 829 G HA2 -0.153 3.821 3.960 0.023 0.000 0.463 829 G HA3 -0.153 3.821 3.960 0.023 0.000 0.463 829 G C -1.821 173.127 174.900 0.080 0.000 1.394 829 G CA 0.015 45.169 45.100 0.090 0.000 0.862 829 G HN 0.190 nan 8.290 nan 0.000 0.540 830 P HA -0.036 nan 4.420 nan 0.000 0.225 830 P C 1.728 179.068 177.300 0.066 0.000 1.148 830 P CA 1.524 64.661 63.100 0.061 0.000 0.779 830 P CB 0.109 31.841 31.700 0.053 0.000 0.780 831 V N -0.848 119.117 119.914 0.085 0.000 3.380 831 V HA -0.013 4.120 4.120 0.023 0.000 0.268 831 V C 0.584 176.710 176.094 0.054 0.000 1.168 831 V CA 0.939 63.288 62.300 0.082 0.000 1.156 831 V CB -1.537 30.354 31.823 0.114 0.000 0.785 831 V HN 0.060 nan 8.190 nan 0.000 0.487 832 Q N 0.165 120.002 119.800 0.062 0.000 2.453 832 Q HA -0.217 4.137 4.340 0.023 0.000 0.330 832 Q C -0.183 175.841 176.000 0.041 0.000 1.417 832 Q CA 1.406 57.241 55.803 0.053 0.000 0.902 832 Q CB -1.336 27.426 28.738 0.040 0.000 1.154 832 Q HN 0.716 nan 8.270 nan 0.000 0.395 833 M N 1.046 120.684 119.600 0.064 0.000 2.066 833 M HA 0.360 4.853 4.480 0.023 0.000 0.264 833 M C -2.409 174.005 176.300 0.190 0.000 0.886 833 M CA -1.976 53.347 55.300 0.038 0.000 0.810 833 M CB 1.363 33.916 32.600 -0.079 0.000 1.451 833 M HN -0.123 nan 8.290 nan 0.000 0.373 834 P HA -0.131 nan 4.420 nan 0.000 0.261 834 P C -1.364 176.159 177.300 0.372 0.000 1.183 834 P CA 0.290 63.534 63.100 0.239 0.000 0.761 834 P CB 0.045 31.839 31.700 0.155 0.000 0.785 835 Y N 3.481 123.916 120.300 0.226 0.000 2.730 835 Y HA 0.036 4.600 4.550 0.023 0.000 0.354 835 Y C 1.015 176.927 175.900 0.019 0.000 1.139 835 Y CA 1.039 59.245 58.100 0.178 0.000 1.516 835 Y CB -0.304 38.255 38.460 0.165 0.000 1.204 835 Y HN 0.314 nan 8.280 nan 0.000 0.520 836 T N 6.174 120.432 114.554 -0.493 0.000 3.040 836 T HA 0.019 4.383 4.350 0.023 0.000 0.266 836 T C 1.492 175.776 174.700 -0.693 0.000 1.005 836 T CA -0.192 61.641 62.100 -0.445 0.000 0.906 836 T CB 0.066 68.833 68.868 -0.168 0.000 1.082 836 T HN 0.415 nan 8.240 nan 0.000 0.531 837 L N 1.163 121.670 121.223 -1.192 0.000 2.187 837 L HA 0.072 4.426 4.340 0.023 0.000 0.213 837 L C 1.474 178.092 176.870 -0.421 0.000 1.100 837 L CA 1.398 55.722 54.840 -0.860 0.000 0.765 837 L CB -0.543 40.985 42.059 -0.886 0.000 0.904 837 L HN 0.245 nan 8.230 nan 0.000 0.437 838 L N -0.975 120.009 121.223 -0.398 0.000 2.653 838 L HA 0.172 4.525 4.340 0.023 0.000 0.231 838 L C 0.119 176.933 176.870 -0.093 0.000 1.153 838 L CA -0.133 54.640 54.840 -0.112 0.000 0.933 838 L CB -0.543 41.550 42.059 0.057 0.000 1.175 838 L HN -0.010 nan 8.230 nan 0.000 0.473 839 L N 0.765 121.891 121.223 -0.161 0.000 2.367 839 L HA 0.192 4.545 4.340 0.023 0.000 0.275 839 L C -1.087 175.701 176.870 -0.137 0.000 1.129 839 L CA -0.935 53.822 54.840 -0.138 0.000 0.839 839 L CB 0.351 42.312 42.059 -0.164 0.000 1.133 839 L HN -0.036 nan 8.230 nan 0.000 0.453 840 P HA -0.091 nan 4.420 nan 0.000 0.215 840 P C -0.117 177.050 177.300 -0.221 0.000 1.157 840 P CA 0.891 63.918 63.100 -0.121 0.000 0.868 840 P CB 0.168 31.784 31.700 -0.140 0.000 0.788 841 S N -1.827 113.668 115.700 -0.341 0.000 2.617 841 S HA 0.633 5.117 4.470 0.023 0.000 0.283 841 S C -0.072 174.134 174.600 -0.657 0.000 1.189 841 S CA -0.422 57.412 58.200 -0.609 0.000 1.036 841 S CB 1.392 64.318 63.200 -0.457 0.000 1.014 841 S HN 0.030 nan 8.310 nan 0.000 0.522 842 S N -0.076 115.033 115.700 -0.985 0.000 2.588 842 S HA 0.429 4.912 4.470 0.023 0.000 0.269 842 S C 0.316 174.576 174.600 -0.566 0.000 1.157 842 S CA -0.675 57.110 58.200 -0.691 0.000 0.824 842 S CB 1.270 63.998 63.200 -0.788 0.000 1.126 842 S HN 0.954 nan 8.310 nan 0.000 0.464 843 K N 1.456 121.679 120.400 -0.294 0.000 2.056 843 K HA 0.425 4.759 4.320 0.023 0.000 0.205 843 K C 0.419 176.982 176.600 -0.062 0.000 1.035 843 K CA 0.139 56.331 56.287 -0.158 0.000 0.955 843 K CB 0.082 32.524 32.500 -0.097 0.000 0.769 843 K HN 0.650 nan 8.250 nan 0.000 0.447 844 E N -0.818 119.375 120.200 -0.011 0.000 2.356 844 E HA 0.263 4.626 4.350 0.023 0.000 0.279 844 E C -0.840 175.821 176.600 0.102 0.000 1.204 844 E CA 0.054 56.503 56.400 0.082 0.000 0.943 844 E CB 0.517 30.247 29.700 0.051 0.000 1.184 844 E HN 0.499 nan 8.360 nan 0.000 0.420 845 G N 1.003 109.882 108.800 0.132 0.000 2.568 845 G HA2 -0.202 3.772 3.960 0.023 0.000 0.222 845 G HA3 -0.202 3.772 3.960 0.023 0.000 0.222 845 G C -0.771 174.194 174.900 0.109 0.000 1.321 845 G CA -0.277 44.876 45.100 0.088 0.000 0.893 845 G HN 0.659 nan 8.290 nan 0.000 0.569 846 L N 2.182 123.440 121.223 0.058 0.000 2.391 846 L HA 0.465 4.818 4.340 0.023 0.000 0.249 846 L C 0.945 177.879 176.870 0.107 0.000 1.308 846 L CA 0.533 55.409 54.840 0.060 0.000 1.209 846 L CB -0.548 41.498 42.059 -0.022 0.000 1.401 846 L HN 0.601 nan 8.230 nan 0.000 0.416 847 T N 1.736 116.395 114.554 0.175 0.000 2.743 847 T HA 0.147 4.510 4.350 0.023 0.000 0.292 847 T C 0.233 175.069 174.700 0.226 0.000 0.972 847 T CA -0.270 61.934 62.100 0.173 0.000 0.967 847 T CB 0.534 69.482 68.868 0.133 0.000 0.926 847 T HN 0.160 nan 8.240 nan 0.000 0.459 848 F N 6.196 126.157 119.950 0.019 0.000 2.665 848 F HA 0.221 4.761 4.527 0.022 0.000 0.360 848 F C 0.943 176.726 175.800 -0.027 0.000 1.168 848 F CA -0.727 57.274 58.000 0.002 0.000 1.366 848 F CB -0.933 38.035 39.000 -0.054 0.000 1.592 848 F HN 0.580 nan 8.300 nan 0.000 0.610 849 R N -0.520 119.945 120.500 -0.058 0.000 2.780 849 R HA 0.619 4.973 4.340 0.023 0.000 0.280 849 R C -0.623 175.601 176.300 -0.126 0.000 1.016 849 R CA -0.775 55.218 56.100 -0.177 0.000 0.854 849 R CB 0.558 30.748 30.300 -0.183 0.000 1.293 849 R HN 0.491 nan 8.270 nan 0.000 0.483 850 G N 0.713 109.397 108.800 -0.192 0.000 3.338 850 G HA2 0.032 4.006 3.960 0.023 0.000 0.686 850 G HA3 0.032 4.006 3.960 0.023 0.000 0.686 850 G C -0.866 174.044 174.900 0.016 0.000 1.053 850 G CA -0.462 44.525 45.100 -0.189 0.000 0.852 850 G HN 0.543 nan 8.290 nan 0.000 0.545 851 I N 4.296 124.945 120.570 0.132 0.000 2.388 851 I HA 0.250 4.433 4.170 0.023 0.000 0.281 851 I C -2.099 174.129 176.117 0.184 0.000 1.046 851 I CA -2.169 59.224 61.300 0.155 0.000 1.187 851 I CB 1.859 39.919 38.000 0.100 0.000 1.351 851 I HN 0.166 nan 8.210 nan 0.000 0.472 852 P HA 0.135 nan 4.420 nan 0.000 0.272 852 P C 0.358 177.680 177.300 0.036 0.000 1.230 852 P CA -0.230 62.819 63.100 -0.086 0.000 0.788 852 P CB 0.687 32.356 31.700 -0.052 0.000 0.949 853 N N -0.600 118.086 118.700 -0.024 0.000 2.289 853 N HA -0.060 4.693 4.740 0.023 0.000 0.184 853 N C 0.650 176.238 175.510 0.129 0.000 1.016 853 N CA 1.059 54.140 53.050 0.051 0.000 0.872 853 N CB -0.147 38.208 38.487 -0.220 0.000 0.973 853 N HN 0.535 nan 8.380 nan 0.000 0.433 854 S N -1.217 114.488 115.700 0.008 0.000 2.720 854 S HA 0.525 5.008 4.470 0.023 0.000 0.287 854 S C -0.472 174.082 174.600 -0.077 0.000 1.168 854 S CA -0.889 57.307 58.200 -0.006 0.000 0.832 854 S CB 1.210 64.374 63.200 -0.061 0.000 1.166 854 S HN -0.008 nan 8.310 nan 0.000 0.493 855 I N 3.036 123.482 120.570 -0.208 0.000 2.293 855 I HA 0.176 4.360 4.170 0.023 0.000 0.299 855 I C 1.024 176.972 176.117 -0.281 0.000 1.153 855 I CA -0.170 60.801 61.300 -0.548 0.000 1.302 855 I CB 0.556 38.079 38.000 -0.796 0.000 1.460 855 I HN 0.819 nan 8.210 nan 0.000 0.552 856 S N 5.005 120.638 115.700 -0.112 0.000 2.539 856 S HA 0.364 4.848 4.470 0.023 0.000 0.221 856 S C 0.131 174.805 174.600 0.122 0.000 0.987 856 S CA -0.255 57.953 58.200 0.014 0.000 0.929 856 S CB 0.323 63.524 63.200 0.001 0.000 0.832 856 S HN 0.467 nan 8.310 nan 0.000 0.492 857 I N 0.000 120.688 120.570 0.196 0.000 2.984 857 I HA 0.000 4.184 4.170 0.023 0.000 0.288 857 I CA 0.000 61.457 61.300 0.262 0.000 1.566 857 I CB 0.000 38.119 38.000 0.198 0.000 1.214 857 I HN 0.000 nan 8.210 nan 0.000 0.494