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 1hn1_1_B DATA FIRST_RESID 13 DATA SEQUENCE RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR SLNGEWRFAW DATA SEQUENCE FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN VTYPITVNPP DATA SEQUENCE FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL WCNGRWVGYG DATA SEQUENCE QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM WRMSGIFRDV DATA SEQUENCE SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD YLRVTVSLWQ DATA SEQUENCE GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS AEIPNLYRAV DATA SEQUENCE VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR GVNRHEHHPL DATA SEQUENCE HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DRYGLYVVDE DATA SEQUENCE ANIETHGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS VIIWSLGNES DATA SEQUENCE GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM YARVDEDQPF DATA SEQUENCE PAVPKWSIKK WLSLPGETRP LILCEYAHAM GNSLGGFAKY WQAFRQYPRL DATA SEQUENCE QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC MNGLVFADRT DATA SEQUENCE PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL HWMVALDGKP DATA SEQUENCE LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ PNATAWSEAG DATA SEQUENCE HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFCIELG NKRWQFNRQS DATA SEQUENCE GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID PNAWVERWKA DATA SEQUENCE AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS RKTYRIDGSG DATA SEQUENCE QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP QENYPDRLTA DATA SEQUENCE ACFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR GDFQFNISRY DATA SEQUENCE SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS VSAEFQLSAG DATA SEQUENCE RYHYQLVWCQ K 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 13 R HA 0.000 nan 4.340 nan 0.000 0.208 13 R C 0.000 176.114 176.300 -0.310 0.000 0.893 13 R CA 0.000 55.993 56.100 -0.179 0.000 0.921 13 R CB 0.000 30.203 30.300 -0.162 0.000 0.687 14 R N 1.694 121.898 120.500 -0.493 0.000 3.205 14 R HA -0.154 4.198 4.340 0.020 0.000 0.249 14 R C -0.572 175.170 176.300 -0.930 0.000 0.937 14 R CA 0.729 56.047 56.100 -1.303 0.000 0.641 14 R CB -1.400 28.171 30.300 -1.217 0.000 1.114 14 R HN 0.462 nan 8.270 nan 0.000 0.451 15 D N -0.147 119.987 120.400 -0.444 0.000 2.221 15 D HA -0.206 4.446 4.640 0.020 0.000 0.204 15 D C 1.556 177.768 176.300 -0.147 0.000 0.982 15 D CA 1.914 55.679 54.000 -0.392 0.000 0.857 15 D CB -0.110 40.206 40.800 -0.807 0.000 0.934 15 D HN 0.752 nan 8.370 nan 0.000 0.475 16 W N 1.416 122.703 121.300 -0.021 0.000 3.096 16 W HA 0.143 4.814 4.660 0.019 0.000 0.241 16 W C 0.860 177.464 176.519 0.142 0.000 1.316 16 W CA -0.208 57.254 57.345 0.196 0.000 1.520 16 W CB -0.129 29.493 29.460 0.271 0.000 1.128 16 W HN -0.175 nan 8.180 nan 0.000 0.707 17 E N 0.592 120.684 120.200 -0.179 0.000 2.758 17 E HA 0.017 4.379 4.350 0.020 0.000 0.215 17 E C -0.662 175.777 176.600 -0.268 0.000 0.985 17 E CA -0.241 56.033 56.400 -0.210 0.000 1.102 17 E CB -0.024 29.470 29.700 -0.343 0.000 1.042 17 E HN 0.081 nan 8.360 nan 0.000 0.480 18 N N 1.051 119.634 118.700 -0.196 0.000 2.531 18 N HA 0.177 4.929 4.740 0.020 0.000 0.268 18 N C -2.164 173.200 175.510 -0.244 0.000 1.023 18 N CA -2.187 50.714 53.050 -0.248 0.000 0.896 18 N CB 1.392 39.736 38.487 -0.239 0.000 1.233 18 N HN -0.256 nan 8.380 nan 0.000 0.512 19 P HA -0.026 nan 4.420 nan 0.000 0.220 19 P C 0.935 177.985 177.300 -0.416 0.000 1.144 19 P CA 0.990 63.714 63.100 -0.628 0.000 0.800 19 P CB 0.167 31.075 31.700 -1.320 0.000 0.772 20 G N -1.351 107.259 108.800 -0.318 0.000 3.042 20 G HA2 0.167 4.139 3.960 0.020 0.000 0.212 20 G HA3 0.167 4.139 3.960 0.020 0.000 0.212 20 G C -0.012 174.807 174.900 -0.135 0.000 1.166 20 G CA 0.118 45.086 45.100 -0.221 0.000 0.767 20 G HN 0.186 nan 8.290 nan 0.000 0.546 21 V N 1.415 121.265 119.914 -0.107 0.000 2.398 21 V HA 0.320 4.452 4.120 0.020 0.000 0.282 21 V C 0.654 176.804 176.094 0.094 0.000 1.014 21 V CA -0.019 62.261 62.300 -0.033 0.000 0.838 21 V CB 1.024 32.789 31.823 -0.095 0.000 1.018 21 V HN 0.263 nan 8.190 nan 0.000 0.432 22 T N 0.016 114.638 114.554 0.114 0.000 3.010 22 T HA 0.381 4.743 4.350 0.020 0.000 0.257 22 T C 0.254 175.050 174.700 0.159 0.000 1.020 22 T CA 0.185 62.383 62.100 0.162 0.000 0.938 22 T CB 0.422 69.323 68.868 0.054 0.000 1.049 22 T HN 0.705 nan 8.240 nan 0.000 0.522 23 Q N 0.608 120.538 119.800 0.216 0.000 2.594 23 Q HA 0.643 4.994 4.340 0.020 0.000 0.278 23 Q C -2.279 173.865 176.000 0.239 0.000 0.961 23 Q CA -0.974 54.950 55.803 0.202 0.000 0.844 23 Q CB 0.664 29.415 28.738 0.022 0.000 1.475 23 Q HN 0.264 nan 8.270 nan 0.000 0.389 24 L N 2.053 123.451 121.223 0.291 0.000 2.406 24 L HA 0.647 4.999 4.340 0.020 0.000 0.272 24 L C -0.568 176.441 176.870 0.232 0.000 0.980 24 L CA -0.860 54.139 54.840 0.264 0.000 0.831 24 L CB 1.676 43.968 42.059 0.389 0.000 1.253 24 L HN 0.803 nan 8.230 nan 0.000 0.406 25 N N 0.642 119.437 118.700 0.158 0.000 2.850 25 N HA -0.196 4.556 4.740 0.020 0.000 0.249 25 N C 0.138 175.754 175.510 0.178 0.000 1.060 25 N CA 0.712 53.850 53.050 0.147 0.000 0.825 25 N CB -0.873 37.653 38.487 0.064 0.000 1.132 25 N HN 0.663 nan 8.380 nan 0.000 0.564 26 R N 1.118 121.614 120.500 -0.007 0.000 2.340 26 R HA 0.348 4.700 4.340 0.020 0.000 0.300 26 R C 0.802 176.948 176.300 -0.257 0.000 1.069 26 R CA -0.350 55.488 56.100 -0.438 0.000 0.984 26 R CB 0.485 30.584 30.300 -0.336 0.000 1.003 26 R HN 0.127 nan 8.270 nan 0.000 0.459 27 L N 2.673 123.723 121.223 -0.288 0.000 2.473 27 L HA 0.162 4.514 4.340 0.020 0.000 0.265 27 L C 0.680 177.502 176.870 -0.080 0.000 1.243 27 L CA -0.223 54.549 54.840 -0.114 0.000 0.822 27 L CB 0.313 42.338 42.059 -0.057 0.000 1.101 27 L HN 0.768 nan 8.230 nan 0.000 0.507 28 A N 0.960 123.779 122.820 -0.001 0.000 2.407 28 A HA 0.518 4.850 4.320 0.020 0.000 0.248 28 A C 0.233 177.854 177.584 0.061 0.000 1.082 28 A CA -0.140 51.910 52.037 0.021 0.000 0.785 28 A CB 0.410 19.444 19.000 0.057 0.000 1.020 28 A HN 0.774 nan 8.150 nan 0.000 0.489 29 A N 1.592 124.389 122.820 -0.039 0.000 2.425 29 A HA 0.613 4.945 4.320 0.020 0.000 0.242 29 A C 0.173 177.712 177.584 -0.075 0.000 1.077 29 A CA 0.728 52.674 52.037 -0.152 0.000 0.781 29 A CB -0.254 18.650 19.000 -0.160 0.000 1.020 29 A HN 1.906 nan 8.150 nan 0.000 0.494 30 H N -1.718 117.240 119.070 -0.186 0.000 2.904 30 H HA 0.624 5.192 4.556 0.020 0.000 0.290 30 H C -3.390 171.705 175.328 -0.388 0.000 1.437 30 H CA -1.678 54.207 56.048 -0.272 0.000 1.147 30 H CB 0.269 29.801 29.762 -0.384 0.000 1.824 30 H HN 0.402 nan 8.280 nan 0.000 0.505 31 P HA 0.235 nan 4.420 nan 0.000 0.276 31 P C -2.640 174.461 177.300 -0.331 0.000 1.252 31 P CA -1.771 61.150 63.100 -0.300 0.000 0.802 31 P CB -0.193 31.304 31.700 -0.339 0.000 1.035 32 P HA 0.092 nan 4.420 nan 0.000 0.261 32 P C -0.530 176.878 177.300 0.179 0.000 1.203 32 P CA 0.880 63.966 63.100 -0.023 0.000 0.767 32 P CB -0.234 31.519 31.700 0.087 0.000 0.785 33 F N 1.562 121.651 119.950 0.231 0.000 2.411 33 F HA 0.558 5.097 4.527 0.020 0.000 0.324 33 F C 1.392 177.182 175.800 -0.017 0.000 1.086 33 F CA -0.889 57.193 58.000 0.137 0.000 1.028 33 F CB 1.344 40.370 39.000 0.043 0.000 1.284 33 F HN 0.229 nan 8.300 nan 0.000 0.501 34 A N -0.084 122.784 122.820 0.081 0.000 2.733 34 A HA 0.214 4.546 4.320 0.020 0.000 0.232 34 A C 0.605 177.978 177.584 -0.352 0.000 1.251 34 A CA 0.337 52.166 52.037 -0.348 0.000 1.015 34 A CB -0.309 18.055 19.000 -1.060 0.000 1.291 34 A HN 0.698 nan 8.150 nan 0.000 0.595 35 S N 0.566 116.181 115.700 -0.142 0.000 3.410 35 S HA -0.166 4.316 4.470 0.020 0.000 0.369 35 S C 0.094 174.653 174.600 -0.069 0.000 0.961 35 S CA 0.467 58.598 58.200 -0.115 0.000 1.248 35 S CB -1.499 61.608 63.200 -0.155 0.000 0.914 35 S HN 0.472 nan 8.310 nan 0.000 0.497 36 W N 1.947 123.245 121.300 -0.003 0.000 2.193 36 W HA 0.121 4.793 4.660 0.019 0.000 0.338 36 W C 1.485 178.000 176.519 -0.007 0.000 1.310 36 W CA -0.478 56.871 57.345 0.008 0.000 1.243 36 W CB 0.287 29.749 29.460 0.002 0.000 1.165 36 W HN 0.412 nan 8.180 nan 0.000 0.566 37 R N 1.720 122.369 120.500 0.248 0.000 2.280 37 R HA -0.008 4.344 4.340 0.020 0.000 0.195 37 R C 0.371 176.749 176.300 0.131 0.000 0.935 37 R CA 0.221 56.411 56.100 0.151 0.000 1.033 37 R CB -0.299 30.054 30.300 0.088 0.000 0.964 37 R HN 0.353 nan 8.270 nan 0.000 0.489 38 N N 0.606 119.400 118.700 0.156 0.000 2.448 38 N HA 0.081 4.833 4.740 0.020 0.000 0.279 38 N C -0.076 175.410 175.510 -0.040 0.000 1.025 38 N CA -0.096 52.987 53.050 0.054 0.000 0.898 38 N CB 1.862 40.374 38.487 0.041 0.000 1.303 38 N HN -0.265 nan 8.380 nan 0.000 0.495 39 S N 2.684 118.344 115.700 -0.067 0.000 2.421 39 S HA -0.255 4.226 4.470 0.020 0.000 0.239 39 S C 1.313 175.752 174.600 -0.268 0.000 1.054 39 S CA 1.877 59.987 58.200 -0.149 0.000 1.035 39 S CB -0.077 63.059 63.200 -0.107 0.000 0.840 39 S HN 0.794 nan 8.310 nan 0.000 0.475 40 E N 0.899 120.965 120.200 -0.224 0.000 2.076 40 E HA -0.091 4.271 4.350 0.020 0.000 0.190 40 E C 2.082 178.493 176.600 -0.315 0.000 0.979 40 E CA 0.871 57.106 56.400 -0.275 0.000 0.807 40 E CB -0.023 29.555 29.700 -0.204 0.000 0.761 40 E HN 0.418 nan 8.360 nan 0.000 0.454 41 E N 0.516 120.561 120.200 -0.257 0.000 2.118 41 E HA -0.245 4.117 4.350 0.020 0.000 0.195 41 E C 1.944 178.054 176.600 -0.816 0.000 0.992 41 E CA 1.021 57.271 56.400 -0.249 0.000 0.804 41 E CB -0.370 29.424 29.700 0.157 0.000 0.741 41 E HN 0.350 nan 8.360 nan 0.000 0.458 42 A N 2.032 124.146 122.820 -1.176 0.000 1.824 42 A HA -0.201 4.131 4.320 0.020 0.000 0.215 42 A C 2.238 179.297 177.584 -0.875 0.000 1.209 42 A CA 1.717 52.841 52.037 -1.522 0.000 0.614 42 A CB -0.798 17.721 19.000 -0.803 0.000 0.852 42 A HN 0.156 nan 8.150 nan 0.000 0.447 43 R N -0.547 119.596 120.500 -0.594 0.000 2.244 43 R HA -0.169 4.183 4.340 0.020 0.000 0.252 43 R C 1.617 177.692 176.300 -0.376 0.000 1.177 43 R CA 2.003 57.799 56.100 -0.508 0.000 1.004 43 R CB -0.338 29.536 30.300 -0.710 0.000 0.873 43 R HN 0.750 nan 8.270 nan 0.000 0.469 44 T N -4.178 110.162 114.554 -0.357 0.000 3.044 44 T HA 0.084 4.446 4.350 0.020 0.000 0.260 44 T C 0.282 174.905 174.700 -0.127 0.000 1.019 44 T CA 0.228 62.205 62.100 -0.205 0.000 0.921 44 T CB 0.413 69.179 68.868 -0.169 0.000 1.053 44 T HN 0.200 nan 8.240 nan 0.000 0.533 45 D N 1.148 121.417 120.400 -0.218 0.000 2.945 45 D HA -0.160 4.492 4.640 0.020 0.000 0.225 45 D C 0.064 176.511 176.300 0.245 0.000 1.158 45 D CA 0.400 54.435 54.000 0.059 0.000 0.805 45 D CB -1.292 39.573 40.800 0.108 0.000 1.098 45 D HN 0.577 nan 8.370 nan 0.000 0.426 46 R N 0.237 120.847 120.500 0.182 0.000 2.694 46 R HA 0.308 4.660 4.340 0.020 0.000 0.268 46 R C -2.030 174.570 176.300 0.501 0.000 1.061 46 R CA -0.973 55.288 56.100 0.268 0.000 1.133 46 R CB 0.295 30.696 30.300 0.169 0.000 1.020 46 R HN 0.096 nan 8.270 nan 0.000 0.475 47 P HA -0.040 nan 4.420 nan 0.000 0.268 47 P C -0.775 176.597 177.300 0.120 0.000 1.205 47 P CA 0.114 63.330 63.100 0.193 0.000 0.771 47 P CB 0.920 32.690 31.700 0.117 0.000 0.858 48 S N 1.852 117.464 115.700 -0.146 0.000 2.480 48 S HA 0.102 4.584 4.470 0.020 0.000 0.286 48 S C 1.133 175.692 174.600 -0.068 0.000 1.180 48 S CA -0.550 57.487 58.200 -0.272 0.000 1.075 48 S CB 0.306 63.022 63.200 -0.806 0.000 0.996 48 S HN 0.243 nan 8.310 nan 0.000 0.487 49 Q N 3.037 122.852 119.800 0.025 0.000 2.364 49 Q HA -0.078 4.274 4.340 0.020 0.000 0.207 49 Q C 0.960 177.087 176.000 0.212 0.000 0.970 49 Q CA 1.162 57.032 55.803 0.113 0.000 0.888 49 Q CB -0.135 28.680 28.738 0.128 0.000 0.951 49 Q HN 0.755 nan 8.270 nan 0.000 0.469 50 Q N -0.336 119.529 119.800 0.108 0.000 2.403 50 Q HA 0.107 4.459 4.340 0.020 0.000 0.203 50 Q C -0.448 175.648 176.000 0.160 0.000 0.932 50 Q CA 0.131 56.007 55.803 0.121 0.000 0.945 50 Q CB 0.466 29.166 28.738 -0.063 0.000 1.045 50 Q HN 0.009 nan 8.270 nan 0.000 0.511 51 L N 1.263 122.559 121.223 0.122 0.000 2.316 51 L HA 0.399 4.751 4.340 0.020 0.000 0.280 51 L C -0.998 175.948 176.870 0.126 0.000 1.006 51 L CA -0.330 54.565 54.840 0.092 0.000 0.836 51 L CB 1.082 43.121 42.059 -0.033 0.000 1.221 51 L HN -0.030 nan 8.230 nan 0.000 0.418 52 R N 2.581 123.174 120.500 0.154 0.000 2.409 52 R HA 0.381 4.733 4.340 0.020 0.000 0.313 52 R C -0.369 175.952 176.300 0.035 0.000 0.953 52 R CA -0.592 55.560 56.100 0.087 0.000 0.849 52 R CB 1.856 32.192 30.300 0.061 0.000 1.171 52 R HN 0.625 nan 8.270 nan 0.000 0.458 53 S N 3.866 119.582 115.700 0.026 0.000 2.510 53 S HA 0.131 4.613 4.470 0.020 0.000 0.279 53 S C 1.029 175.645 174.600 0.026 0.000 1.284 53 S CA -0.531 57.680 58.200 0.019 0.000 1.059 53 S CB 0.399 63.618 63.200 0.031 0.000 0.901 53 S HN 0.613 nan 8.310 nan 0.000 0.491 54 L N 3.679 124.920 121.223 0.030 0.000 2.629 54 L HA 0.193 4.545 4.340 0.020 0.000 0.230 54 L C -0.034 177.019 176.870 0.304 0.000 1.151 54 L CA -0.186 54.721 54.840 0.111 0.000 0.924 54 L CB -0.818 41.302 42.059 0.102 0.000 1.137 54 L HN 0.584 nan 8.230 nan 0.000 0.457 55 N N 0.860 119.660 118.700 0.166 0.000 2.530 55 N HA 0.578 5.330 4.740 0.020 0.000 0.277 55 N C 0.571 176.205 175.510 0.207 0.000 1.168 55 N CA 0.433 53.583 53.050 0.167 0.000 0.979 55 N CB 1.509 40.026 38.487 0.048 0.000 1.141 55 N HN 0.209 nan 8.380 nan 0.000 0.459 56 G N 0.237 109.189 108.800 0.252 0.000 2.403 56 G HA2 0.001 3.973 3.960 0.020 0.000 0.223 56 G HA3 0.001 3.973 3.960 0.020 0.000 0.223 56 G C -1.710 173.397 174.900 0.344 0.000 1.287 56 G CA -0.821 44.417 45.100 0.230 0.000 0.982 56 G HN 0.507 nan 8.290 nan 0.000 0.471 57 E N -0.395 119.977 120.200 0.287 0.000 2.338 57 E HA 0.485 4.847 4.350 0.020 0.000 0.272 57 E C -1.179 175.684 176.600 0.438 0.000 1.029 57 E CA -0.082 56.496 56.400 0.298 0.000 0.872 57 E CB 1.296 31.092 29.700 0.160 0.000 1.015 57 E HN 0.385 nan 8.360 nan 0.000 0.417 58 W N 1.025 122.399 121.300 0.122 0.000 2.975 58 W HA 0.363 5.035 4.660 0.020 0.000 0.342 58 W C 0.095 176.722 176.519 0.181 0.000 1.168 58 W CA -0.784 56.666 57.345 0.176 0.000 1.141 58 W CB 1.109 30.726 29.460 0.262 0.000 1.445 58 W HN 0.205 nan 8.180 nan 0.000 0.560 59 R N 1.553 122.289 120.500 0.393 0.000 2.457 59 R HA 0.634 4.985 4.340 0.020 0.000 0.284 59 R C -1.367 175.180 176.300 0.411 0.000 1.024 59 R CA -0.784 55.506 56.100 0.317 0.000 1.025 59 R CB 1.014 31.443 30.300 0.215 0.000 1.063 59 R HN 0.527 nan 8.270 nan 0.000 0.493 60 F N -0.036 119.950 119.950 0.060 0.000 2.672 60 F HA 0.549 5.088 4.527 0.020 0.000 0.311 60 F C -1.845 173.822 175.800 -0.221 0.000 1.113 60 F CA -0.498 57.418 58.000 -0.140 0.000 0.996 60 F CB 1.551 40.346 39.000 -0.341 0.000 1.286 60 F HN 0.630 nan 8.300 nan 0.000 0.441 61 A N 3.666 125.584 122.820 -1.504 0.000 2.587 61 A HA 0.709 5.041 4.320 0.020 0.000 0.293 61 A C -2.554 174.136 177.584 -1.490 0.000 1.087 61 A CA -0.621 50.708 52.037 -1.181 0.000 0.692 61 A CB 1.138 19.802 19.000 -0.559 0.000 1.291 61 A HN 1.009 nan 8.150 nan 0.000 0.407 62 W N 0.796 121.275 121.300 -1.368 0.000 2.689 62 W HA 0.790 5.462 4.660 0.020 0.000 0.340 62 W C -2.077 173.677 176.519 -1.275 0.000 1.060 62 W CA -0.506 56.186 57.345 -1.088 0.000 1.218 62 W CB 1.651 30.691 29.460 -0.700 0.000 1.410 62 W HN 0.488 nan 8.180 nan 0.000 0.528 63 F N 5.271 124.652 119.950 -0.949 0.000 2.588 63 F HA 0.293 4.831 4.527 0.020 0.000 0.314 63 F C -1.523 173.556 175.800 -1.202 0.000 1.134 63 F CA -2.355 55.204 58.000 -0.734 0.000 0.961 63 F CB 1.505 40.202 39.000 -0.505 0.000 1.239 63 F HN 0.156 nan 8.300 nan 0.000 0.448 64 P HA -0.018 nan 4.420 nan 0.000 0.223 64 P C -0.057 177.115 177.300 -0.213 0.000 1.144 64 P CA 1.250 64.062 63.100 -0.479 0.000 0.783 64 P CB 0.462 32.170 31.700 0.012 0.000 0.771 65 A N -1.405 121.317 122.820 -0.163 0.000 2.612 65 A HA 0.567 4.899 4.320 0.020 0.000 0.293 65 A C -2.445 175.067 177.584 -0.120 0.000 1.075 65 A CA -1.127 50.866 52.037 -0.074 0.000 0.680 65 A CB 0.754 19.775 19.000 0.034 0.000 1.279 65 A HN -0.270 nan 8.150 nan 0.000 0.411 66 P HA 0.018 nan 4.420 nan 0.000 0.224 66 P C 0.622 177.843 177.300 -0.131 0.000 1.157 66 P CA 1.101 64.091 63.100 -0.184 0.000 0.799 66 P CB 0.252 31.811 31.700 -0.235 0.000 0.809 67 E N 0.742 120.928 120.200 -0.022 0.000 2.267 67 E HA -0.103 4.259 4.350 0.020 0.000 0.197 67 E C 1.956 178.522 176.600 -0.057 0.000 0.998 67 E CA 1.352 57.753 56.400 0.002 0.000 0.830 67 E CB -1.121 28.613 29.700 0.055 0.000 0.751 67 E HN 0.242 nan 8.360 nan 0.000 0.491 68 A N 0.407 123.172 122.820 -0.092 0.000 2.238 68 A HA 0.107 4.439 4.320 0.020 0.000 0.208 68 A C 0.650 178.066 177.584 -0.280 0.000 1.177 68 A CA -0.131 51.855 52.037 -0.085 0.000 0.804 68 A CB 0.140 19.160 19.000 0.033 0.000 0.823 68 A HN 0.044 nan 8.150 nan 0.000 0.482 69 V N 2.535 122.161 119.914 -0.480 0.000 2.530 69 V HA 0.231 4.363 4.120 0.020 0.000 0.282 69 V C -2.196 173.658 176.094 -0.400 0.000 1.048 69 V CA -1.562 60.258 62.300 -0.800 0.000 0.997 69 V CB 0.778 32.042 31.823 -0.933 0.000 0.987 69 V HN 0.327 nan 8.190 nan 0.000 0.477 70 P HA 0.282 nan 4.420 nan 0.000 0.282 70 P C 0.164 177.428 177.300 -0.060 0.000 1.274 70 P CA -0.404 62.622 63.100 -0.123 0.000 0.770 70 P CB 1.256 32.935 31.700 -0.036 0.000 0.867 71 E N 1.877 122.037 120.200 -0.066 0.000 2.114 71 E HA -0.274 4.088 4.350 0.020 0.000 0.199 71 E C 2.054 178.614 176.600 -0.066 0.000 1.008 71 E CA 2.271 58.624 56.400 -0.078 0.000 0.810 71 E CB -1.157 28.499 29.700 -0.074 0.000 0.739 71 E HN 0.616 nan 8.360 nan 0.000 0.456 72 S N 0.443 116.126 115.700 -0.028 0.000 2.393 72 S HA -0.361 4.121 4.470 0.020 0.000 0.234 72 S C 1.791 176.366 174.600 -0.042 0.000 1.064 72 S CA 1.456 59.642 58.200 -0.024 0.000 1.088 72 S CB -1.320 61.890 63.200 0.018 0.000 0.939 72 S HN 0.571 nan 8.310 nan 0.000 0.448 73 W N 2.721 123.924 121.300 -0.161 0.000 2.257 73 W HA -0.253 4.418 4.660 0.020 0.000 0.325 73 W C 1.985 178.381 176.519 -0.205 0.000 1.296 73 W CA 2.164 59.402 57.345 -0.179 0.000 1.297 73 W CB -0.699 28.625 29.460 -0.227 0.000 1.131 73 W HN 0.342 nan 8.180 nan 0.000 0.492 74 L N -0.144 120.729 121.223 -0.583 0.000 2.191 74 L HA -0.180 4.172 4.340 0.020 0.000 0.212 74 L C 2.306 178.891 176.870 -0.475 0.000 1.103 74 L CA 1.504 55.883 54.840 -0.768 0.000 0.769 74 L CB -0.941 40.738 42.059 -0.633 0.000 0.908 74 L HN 0.084 nan 8.230 nan 0.000 0.438 75 E N -0.915 119.098 120.200 -0.311 0.000 2.290 75 E HA 0.047 4.409 4.350 0.020 0.000 0.197 75 E C 0.445 176.947 176.600 -0.164 0.000 0.948 75 E CA 0.451 56.736 56.400 -0.191 0.000 0.895 75 E CB 0.905 30.534 29.700 -0.118 0.000 0.865 75 E HN 0.491 nan 8.360 nan 0.000 0.486 76 C N 0.809 120.012 119.300 -0.162 0.000 2.985 76 C HA 0.435 4.907 4.460 0.020 0.000 0.332 76 C C -0.733 174.236 174.990 -0.035 0.000 1.164 76 C CA -1.246 57.717 59.018 -0.093 0.000 1.347 76 C CB 1.225 28.936 27.740 -0.048 0.000 1.764 76 C HN -0.053 nan 8.230 nan 0.000 0.489 77 D N 2.798 123.196 120.400 -0.002 0.000 2.583 77 D HA 0.200 4.852 4.640 0.020 0.000 0.232 77 D C 0.537 176.910 176.300 0.122 0.000 1.128 77 D CA 0.846 54.898 54.000 0.087 0.000 0.859 77 D CB 0.639 41.480 40.800 0.068 0.000 1.169 77 D HN 0.601 nan 8.370 nan 0.000 0.481 78 L N 4.666 126.015 121.223 0.210 0.000 2.472 78 L HA 0.109 4.461 4.340 0.020 0.000 0.260 78 L C -1.048 175.881 176.870 0.097 0.000 1.209 78 L CA -1.374 53.561 54.840 0.158 0.000 0.817 78 L CB 0.148 42.314 42.059 0.178 0.000 1.106 78 L HN 0.298 nan 8.230 nan 0.000 0.479 79 P HA -0.056 nan 4.420 nan 0.000 0.215 79 P C 0.704 178.026 177.300 0.037 0.000 1.157 79 P CA 0.835 63.962 63.100 0.046 0.000 0.869 79 P CB 0.122 31.843 31.700 0.035 0.000 0.781 80 E N 0.393 120.608 120.200 0.026 0.000 2.516 80 E HA 0.180 4.542 4.350 0.020 0.000 0.199 80 E C 0.750 177.353 176.600 0.005 0.000 1.069 80 E CA 0.031 56.436 56.400 0.008 0.000 0.876 80 E CB -1.175 28.517 29.700 -0.013 0.000 0.843 80 E HN 0.147 nan 8.360 nan 0.000 0.530 81 A N 1.528 124.361 122.820 0.020 0.000 2.546 81 A HA 0.139 4.470 4.320 0.020 0.000 0.243 81 A C -0.365 177.260 177.584 0.069 0.000 1.063 81 A CA -0.267 51.782 52.037 0.020 0.000 0.757 81 A CB 0.019 19.061 19.000 0.070 0.000 0.991 81 A HN 0.128 nan 8.150 nan 0.000 0.503 82 D N 0.387 120.855 120.400 0.112 0.000 2.466 82 D HA 0.558 5.210 4.640 0.020 0.000 0.262 82 D C -0.003 176.399 176.300 0.171 0.000 1.177 82 D CA -0.002 54.088 54.000 0.151 0.000 1.035 82 D CB 0.539 41.474 40.800 0.225 0.000 1.105 82 D HN 0.424 nan 8.370 nan 0.000 0.551 83 T N -0.070 114.563 114.554 0.132 0.000 2.859 83 T HA 0.621 4.983 4.350 0.020 0.000 0.281 83 T C -0.559 174.186 174.700 0.075 0.000 1.005 83 T CA -0.674 61.502 62.100 0.127 0.000 1.025 83 T CB 1.100 70.024 68.868 0.093 0.000 0.977 83 T HN 0.326 nan 8.240 nan 0.000 0.458 84 V N 0.065 120.031 119.914 0.088 0.000 3.216 84 V HA 0.819 4.951 4.120 0.020 0.000 0.302 84 V C -0.787 175.367 176.094 0.100 0.000 1.286 84 V CA -1.027 61.252 62.300 -0.034 0.000 1.048 84 V CB 1.509 33.254 31.823 -0.130 0.000 1.081 84 V HN 0.583 nan 8.190 nan 0.000 0.442 85 V N 1.313 121.277 119.914 0.084 0.000 2.617 85 V HA 0.748 4.880 4.120 0.020 0.000 0.298 85 V C -0.220 175.936 176.094 0.104 0.000 1.048 85 V CA -0.294 62.083 62.300 0.127 0.000 0.964 85 V CB 1.713 33.588 31.823 0.087 0.000 1.004 85 V HN 0.810 nan 8.190 nan 0.000 0.466 86 V N 5.181 125.083 119.914 -0.019 0.000 2.709 86 V HA 0.466 4.598 4.120 0.020 0.000 0.308 86 V C -2.462 173.520 176.094 -0.186 0.000 1.062 86 V CA -1.704 60.470 62.300 -0.210 0.000 0.901 86 V CB 2.295 33.694 31.823 -0.707 0.000 1.003 86 V HN 0.751 nan 8.190 nan 0.000 0.425 87 P HA 0.542 nan 4.420 nan 0.000 0.276 87 P C -0.726 176.506 177.300 -0.113 0.000 1.252 87 P CA -0.192 62.798 63.100 -0.182 0.000 0.802 87 P CB 1.125 32.728 31.700 -0.163 0.000 1.035 88 S N -0.800 114.854 115.700 -0.077 0.000 2.633 88 S HA 0.341 4.823 4.470 0.020 0.000 0.271 88 S C -1.514 173.036 174.600 -0.082 0.000 1.112 88 S CA -1.041 57.087 58.200 -0.120 0.000 0.828 88 S CB 0.024 63.167 63.200 -0.095 0.000 1.086 88 S HN 0.308 nan 8.310 nan 0.000 0.461 89 N N 1.310 119.891 118.700 -0.199 0.000 2.444 89 N HA 0.408 5.160 4.740 0.020 0.000 0.262 89 N C 0.668 176.083 175.510 -0.157 0.000 0.974 89 N CA -0.717 52.222 53.050 -0.186 0.000 0.933 89 N CB 0.588 38.921 38.487 -0.257 0.000 1.137 89 N HN 0.812 nan 8.380 nan 0.000 0.498 90 W N 3.102 124.347 121.300 -0.091 0.000 2.321 90 W HA -0.220 4.452 4.660 0.020 0.000 0.285 90 W C 0.910 177.471 176.519 0.071 0.000 1.213 90 W CA 1.111 58.435 57.345 -0.035 0.000 1.205 90 W CB -0.398 29.033 29.460 -0.048 0.000 1.134 90 W HN 0.518 nan 8.180 nan 0.000 0.549 91 Q N 0.050 119.882 119.800 0.054 0.000 2.224 91 Q HA -0.089 4.263 4.340 0.020 0.000 0.203 91 Q C 2.183 178.136 176.000 -0.078 0.000 0.970 91 Q CA 1.602 57.412 55.803 0.011 0.000 0.865 91 Q CB -0.556 28.070 28.738 -0.187 0.000 0.922 91 Q HN 0.249 nan 8.270 nan 0.000 0.445 92 M N -1.026 118.479 119.600 -0.159 0.000 2.476 92 M HA -0.056 4.436 4.480 0.020 0.000 0.262 92 M C 0.641 176.891 176.300 -0.083 0.000 1.079 92 M CA 1.456 56.631 55.300 -0.209 0.000 1.104 92 M CB -0.444 31.963 32.600 -0.321 0.000 1.409 92 M HN 0.362 nan 8.290 nan 0.000 0.467 93 H N -1.318 117.782 119.070 0.050 0.000 2.652 93 H HA 0.314 4.882 4.556 0.020 0.000 0.274 93 H C 0.898 176.152 175.328 -0.123 0.000 1.021 93 H CA 0.149 56.211 56.048 0.024 0.000 1.187 93 H CB 0.548 30.410 29.762 0.166 0.000 1.505 93 H HN 0.489 nan 8.280 nan 0.000 0.530 94 G N 0.689 109.518 108.800 0.047 0.000 2.204 94 G HA2 -0.312 3.660 3.960 0.020 0.000 0.244 94 G HA3 -0.312 3.660 3.960 0.020 0.000 0.244 94 G C -0.045 174.711 174.900 -0.240 0.000 1.062 94 G CA 0.114 45.160 45.100 -0.089 0.000 0.798 94 G HN 0.442 nan 8.290 nan 0.000 0.496 95 Y N 0.813 121.133 120.300 0.033 0.000 2.476 95 Y HA 0.328 4.890 4.550 0.020 0.000 0.283 95 Y C 1.368 177.028 175.900 -0.399 0.000 1.109 95 Y CA 0.922 58.886 58.100 -0.227 0.000 1.246 95 Y CB 0.474 38.769 38.460 -0.275 0.000 1.068 95 Y HN 0.601 nan 8.280 nan 0.000 0.552 96 D N -1.813 118.660 120.400 0.122 0.000 2.692 96 D HA 0.464 5.116 4.640 0.020 0.000 0.290 96 D C -1.012 175.392 176.300 0.174 0.000 1.281 96 D CA -0.879 53.206 54.000 0.142 0.000 0.804 96 D CB 0.690 41.710 40.800 0.366 0.000 1.331 96 D HN -0.048 nan 8.370 nan 0.000 0.432 97 A N -0.218 122.714 122.820 0.187 0.000 2.322 97 A HA 0.694 5.026 4.320 0.020 0.000 0.269 97 A C -2.365 175.295 177.584 0.128 0.000 1.094 97 A CA -0.955 51.183 52.037 0.168 0.000 0.807 97 A CB -0.042 19.113 19.000 0.258 0.000 1.047 97 A HN 0.532 nan 8.150 nan 0.000 0.487 98 P HA 0.593 nan 4.420 nan 0.000 0.298 98 P C -1.190 176.346 177.300 0.393 0.000 1.314 98 P CA -0.357 62.780 63.100 0.063 0.000 0.854 98 P CB 1.157 32.684 31.700 -0.289 0.000 1.019 99 I N 2.935 123.756 120.570 0.418 0.000 2.412 99 I HA 0.268 4.450 4.170 0.020 0.000 0.296 99 I C -0.150 176.136 176.117 0.282 0.000 0.987 99 I CA -0.744 60.784 61.300 0.379 0.000 1.180 99 I CB 0.977 39.124 38.000 0.245 0.000 1.340 99 I HN 0.281 nan 8.210 nan 0.000 0.455 100 Y N 5.312 125.585 120.300 -0.046 0.000 2.931 100 Y HA 0.496 5.058 4.550 0.020 0.000 0.330 100 Y C -0.126 175.627 175.900 -0.245 0.000 1.115 100 Y CA -0.471 57.339 58.100 -0.483 0.000 1.283 100 Y CB 0.576 38.247 38.460 -1.314 0.000 1.215 100 Y HN 0.606 nan 8.280 nan 0.000 0.534 101 T N 4.149 118.232 114.554 -0.785 0.000 2.823 101 T HA 0.204 4.566 4.350 0.020 0.000 0.279 101 T C 0.654 174.890 174.700 -0.773 0.000 0.998 101 T CA -0.488 61.183 62.100 -0.715 0.000 0.994 101 T CB 0.908 69.565 68.868 -0.352 0.000 0.960 101 T HN 0.722 nan 8.240 nan 0.000 0.448 102 N N 3.237 121.510 118.700 -0.711 0.000 2.187 102 N HA -0.004 4.748 4.740 0.020 0.000 0.190 102 N C 1.565 176.820 175.510 -0.424 0.000 1.052 102 N CA 1.602 54.365 53.050 -0.477 0.000 0.863 102 N CB -0.572 37.687 38.487 -0.379 0.000 1.041 102 N HN 0.389 nan 8.380 nan 0.000 0.447 103 V N 0.108 119.714 119.914 -0.513 0.000 2.403 103 V HA 0.103 4.235 4.120 0.020 0.000 0.239 103 V C 0.596 176.380 176.094 -0.517 0.000 1.041 103 V CA 0.941 62.857 62.300 -0.641 0.000 1.051 103 V CB -0.873 30.469 31.823 -0.802 0.000 0.704 103 V HN 0.296 nan 8.190 nan 0.000 0.472 104 T N 1.030 115.354 114.554 -0.383 0.000 2.867 104 T HA 0.131 4.493 4.350 0.020 0.000 0.297 104 T C -0.421 174.153 174.700 -0.211 0.000 0.989 104 T CA 0.293 62.248 62.100 -0.242 0.000 1.159 104 T CB -0.340 68.415 68.868 -0.189 0.000 0.928 104 T HN 0.185 nan 8.240 nan 0.000 0.538 105 Y N 5.462 125.652 120.300 -0.182 0.000 2.610 105 Y HA 0.102 4.664 4.550 0.019 0.000 0.332 105 Y C -0.776 174.999 175.900 -0.207 0.000 1.201 105 Y CA -1.725 56.261 58.100 -0.189 0.000 1.465 105 Y CB 0.410 38.753 38.460 -0.196 0.000 1.283 105 Y HN 0.539 nan 8.280 nan 0.000 0.563 106 P HA -0.098 nan 4.420 nan 0.000 0.231 106 P C -0.148 176.957 177.300 -0.324 0.000 1.158 106 P CA 1.312 64.334 63.100 -0.131 0.000 0.763 106 P CB -0.037 31.633 31.700 -0.050 0.000 0.805 107 I N -5.359 114.979 120.570 -0.387 0.000 3.206 107 I HA 0.525 4.707 4.170 0.020 0.000 0.313 107 I C -0.631 175.340 176.117 -0.244 0.000 1.103 107 I CA -1.212 59.807 61.300 -0.468 0.000 0.985 107 I CB 1.843 39.359 38.000 -0.808 0.000 1.240 107 I HN -0.463 nan 8.210 nan 0.000 0.464 108 T N 2.061 116.503 114.554 -0.187 0.000 2.913 108 T HA 0.241 4.603 4.350 0.020 0.000 0.297 108 T C 0.203 174.864 174.700 -0.064 0.000 1.029 108 T CA -0.406 61.640 62.100 -0.089 0.000 1.104 108 T CB 1.236 70.076 68.868 -0.046 0.000 0.964 108 T HN 0.401 nan 8.240 nan 0.000 0.532 109 V N 4.168 124.067 119.914 -0.025 0.000 2.302 109 V HA 0.169 4.301 4.120 0.020 0.000 0.244 109 V C 0.597 176.742 176.094 0.086 0.000 1.160 109 V CA -0.073 62.242 62.300 0.024 0.000 1.127 109 V CB -1.131 30.673 31.823 -0.032 0.000 1.253 109 V HN 0.742 nan 8.190 nan 0.000 0.496 110 N N 4.747 123.581 118.700 0.224 0.000 2.711 110 N HA 0.330 5.082 4.740 0.020 0.000 0.263 110 N C -3.009 172.670 175.510 0.283 0.000 1.667 110 N CA -1.424 51.761 53.050 0.224 0.000 0.785 110 N CB 1.848 40.464 38.487 0.215 0.000 1.231 110 N HN 0.249 nan 8.380 nan 0.000 0.503 111 P HA 0.273 nan 4.420 nan 0.000 0.271 111 P C -2.542 174.633 177.300 -0.208 0.000 1.216 111 P CA -1.130 61.661 63.100 -0.515 0.000 0.771 111 P CB 0.650 31.746 31.700 -1.006 0.000 0.864 112 P HA 0.346 nan 4.420 nan 0.000 0.235 112 P C -1.275 175.820 177.300 -0.343 0.000 1.870 112 P CA -0.535 62.344 63.100 -0.368 0.000 1.086 112 P CB -0.204 31.311 31.700 -0.308 0.000 1.797 113 F N 0.522 120.602 119.950 0.218 0.000 2.404 113 F HA 0.343 4.882 4.527 0.020 0.000 0.354 113 F C 1.375 177.317 175.800 0.238 0.000 1.122 113 F CA -1.245 56.870 58.000 0.191 0.000 1.080 113 F CB 1.042 40.097 39.000 0.091 0.000 1.131 113 F HN -0.114 nan 8.300 nan 0.000 0.471 114 V N 0.956 121.104 119.914 0.390 0.000 3.441 114 V HA 0.622 4.754 4.120 0.020 0.000 0.300 114 V C -2.420 173.842 176.094 0.280 0.000 1.062 114 V CA -1.988 60.498 62.300 0.310 0.000 1.064 114 V CB 0.280 32.386 31.823 0.471 0.000 1.197 114 V HN 0.451 nan 8.190 nan 0.000 0.451 115 P HA 0.283 nan 4.420 nan 0.000 0.277 115 P C 0.866 178.327 177.300 0.268 0.000 1.271 115 P CA 0.247 63.461 63.100 0.189 0.000 0.795 115 P CB 0.696 32.461 31.700 0.108 0.000 1.101 116 T N -2.987 111.688 114.554 0.201 0.000 2.896 116 T HA -0.032 4.329 4.350 0.020 0.000 0.263 116 T C 0.428 175.252 174.700 0.207 0.000 1.050 116 T CA 0.899 63.117 62.100 0.197 0.000 1.140 116 T CB -0.602 68.347 68.868 0.135 0.000 0.877 116 T HN 0.328 nan 8.240 nan 0.000 0.457 117 E N 2.548 122.874 120.200 0.209 0.000 1.941 117 E HA 0.226 4.588 4.350 0.020 0.000 0.275 117 E C -0.808 175.987 176.600 0.324 0.000 1.113 117 E CA -0.297 56.236 56.400 0.221 0.000 0.878 117 E CB 0.197 30.022 29.700 0.208 0.000 1.070 117 E HN 0.269 nan 8.360 nan 0.000 0.399 118 N N 4.006 122.855 118.700 0.247 0.000 2.682 118 N HA 0.187 4.939 4.740 0.020 0.000 0.252 118 N C -2.736 172.778 175.510 0.006 0.000 1.081 118 N CA -2.275 50.923 53.050 0.247 0.000 0.844 118 N CB 1.211 39.857 38.487 0.265 0.000 1.167 118 N HN 0.081 nan 8.380 nan 0.000 0.523 119 P HA -0.012 nan 4.420 nan 0.000 0.250 119 P C -0.565 176.649 177.300 -0.144 0.000 1.161 119 P CA 0.479 63.462 63.100 -0.195 0.000 0.863 119 P CB -0.187 31.691 31.700 0.296 0.000 0.827 120 T N 3.067 117.359 114.554 -0.437 0.000 2.799 120 T HA 0.528 4.890 4.350 0.020 0.000 0.286 120 T C 0.706 175.040 174.700 -0.608 0.000 0.973 120 T CA -0.362 61.541 62.100 -0.328 0.000 1.035 120 T CB 1.258 69.940 68.868 -0.311 0.000 0.932 120 T HN 0.314 nan 8.240 nan 0.000 0.469 121 G N 1.354 109.849 108.800 -0.509 0.000 2.437 121 G HA2 0.478 4.450 3.960 0.020 0.000 0.315 121 G HA3 0.478 4.450 3.960 0.020 0.000 0.315 121 G C -0.181 174.600 174.900 -0.198 0.000 1.210 121 G CA -0.594 44.111 45.100 -0.659 0.000 0.943 121 G HN 0.924 nan 8.290 nan 0.000 0.471 122 C N 3.122 122.107 119.300 -0.526 0.000 2.225 122 C HA 0.503 4.975 4.460 0.020 0.000 0.328 122 C C -0.294 174.714 174.990 0.031 0.000 1.187 122 C CA -1.485 57.276 59.018 -0.429 0.000 1.665 122 C CB -1.888 24.868 27.740 -1.640 0.000 2.253 122 C HN 0.591 nan 8.230 nan 0.000 0.497 123 Y N 1.897 122.443 120.300 0.411 0.000 2.376 123 Y HA 0.625 5.187 4.550 0.020 0.000 0.325 123 Y C 0.967 177.329 175.900 0.770 0.000 1.199 123 Y CA 0.108 58.597 58.100 0.649 0.000 1.206 123 Y CB 1.467 40.295 38.460 0.614 0.000 1.229 123 Y HN 0.780 nan 8.280 nan 0.000 0.480 124 S N 1.998 118.210 115.700 0.854 0.000 2.550 124 S HA 0.775 5.257 4.470 0.020 0.000 0.270 124 S C -1.805 172.804 174.600 0.014 0.000 1.145 124 S CA -0.883 57.588 58.200 0.452 0.000 0.852 124 S CB 2.041 65.452 63.200 0.351 0.000 1.119 124 S HN 0.637 nan 8.310 nan 0.000 0.465 125 L N 0.928 121.988 121.223 -0.271 0.000 2.526 125 L HA 0.698 5.050 4.340 0.020 0.000 0.263 125 L C -1.361 175.448 176.870 -0.101 0.000 0.943 125 L CA 0.046 54.556 54.840 -0.551 0.000 0.859 125 L CB 2.365 43.394 42.059 -1.717 0.000 1.313 125 L HN 0.898 nan 8.230 nan 0.000 0.406 126 T N 5.342 119.876 114.554 -0.033 0.000 2.758 126 T HA 0.733 5.095 4.350 0.020 0.000 0.285 126 T C -0.764 174.019 174.700 0.138 0.000 0.981 126 T CA -0.117 62.024 62.100 0.068 0.000 0.965 126 T CB 0.436 69.285 68.868 -0.030 0.000 0.927 126 T HN 0.462 nan 8.240 nan 0.000 0.448 127 F N 0.762 120.635 119.950 -0.129 0.000 2.711 127 F HA 0.737 5.276 4.527 0.020 0.000 0.313 127 F C -0.899 174.848 175.800 -0.089 0.000 1.141 127 F CA -1.570 56.362 58.000 -0.113 0.000 0.941 127 F CB 1.446 40.370 39.000 -0.127 0.000 1.349 127 F HN 0.422 nan 8.300 nan 0.000 0.464 128 N N 0.418 119.021 118.700 -0.162 0.000 2.456 128 N HA 0.674 5.426 4.740 0.020 0.000 0.296 128 N C -1.731 173.689 175.510 -0.150 0.000 1.102 128 N CA -0.531 52.389 53.050 -0.218 0.000 0.924 128 N CB 2.041 40.449 38.487 -0.131 0.000 1.186 128 N HN 0.686 nan 8.380 nan 0.000 0.492 129 V N 0.691 120.492 119.914 -0.188 0.000 2.715 129 V HA 0.440 4.572 4.120 0.020 0.000 0.310 129 V C -0.667 175.318 176.094 -0.181 0.000 1.054 129 V CA -1.053 61.147 62.300 -0.166 0.000 0.928 129 V CB 1.682 33.481 31.823 -0.040 0.000 1.007 129 V HN 0.643 nan 8.190 nan 0.000 0.437 130 D N 1.703 121.927 120.400 -0.293 0.000 2.308 130 D HA 0.177 4.829 4.640 0.020 0.000 0.251 130 D C 1.164 177.434 176.300 -0.051 0.000 1.127 130 D CA -0.093 53.783 54.000 -0.207 0.000 0.876 130 D CB 1.500 42.105 40.800 -0.325 0.000 1.176 130 D HN 0.905 nan 8.370 nan 0.000 0.446 131 E N 1.312 121.503 120.200 -0.015 0.000 2.233 131 E HA -0.264 4.098 4.350 0.020 0.000 0.199 131 E C 0.911 177.561 176.600 0.083 0.000 1.004 131 E CA 1.555 57.974 56.400 0.032 0.000 0.819 131 E CB 0.080 29.788 29.700 0.014 0.000 0.738 131 E HN 0.357 nan 8.360 nan 0.000 0.478 132 S N -0.131 115.629 115.700 0.099 0.000 2.419 132 S HA -0.157 4.325 4.470 0.020 0.000 0.235 132 S C 1.213 175.931 174.600 0.198 0.000 1.019 132 S CA 1.031 59.319 58.200 0.146 0.000 0.982 132 S CB -0.517 62.785 63.200 0.170 0.000 0.789 132 S HN 0.456 nan 8.310 nan 0.000 0.490 133 W N 1.413 122.613 121.300 -0.166 0.000 2.770 133 W HA 0.402 5.074 4.660 0.020 0.000 0.256 133 W C 1.401 177.949 176.519 0.048 0.000 1.291 133 W CA -0.406 56.785 57.345 -0.258 0.000 1.396 133 W CB -0.553 28.813 29.460 -0.157 0.000 1.114 133 W HN 0.294 nan 8.180 nan 0.000 0.637 134 L N -0.830 120.541 121.223 0.247 0.000 2.590 134 L HA 0.108 4.460 4.340 0.020 0.000 0.227 134 L C 2.072 179.023 176.870 0.135 0.000 1.099 134 L CA 0.421 55.377 54.840 0.193 0.000 0.872 134 L CB -0.599 41.553 42.059 0.154 0.000 1.088 134 L HN -0.118 nan 8.230 nan 0.000 0.479 135 Q N 0.916 120.785 119.800 0.114 0.000 2.049 135 Q HA -0.044 4.308 4.340 0.020 0.000 0.198 135 Q C 0.709 176.759 176.000 0.083 0.000 0.971 135 Q CA 1.183 57.035 55.803 0.081 0.000 0.833 135 Q CB 0.093 28.869 28.738 0.063 0.000 0.896 135 Q HN 0.607 nan 8.270 nan 0.000 0.434 136 E N -0.783 119.479 120.200 0.103 0.000 2.431 136 E HA 0.506 4.868 4.350 0.020 0.000 0.268 136 E C -0.111 176.578 176.600 0.149 0.000 0.953 136 E CA -0.614 55.842 56.400 0.094 0.000 0.810 136 E CB 1.528 31.270 29.700 0.070 0.000 1.369 136 E HN 0.142 nan 8.360 nan 0.000 0.440 137 G N 0.459 109.289 108.800 0.052 0.000 2.804 137 G HA2 -0.275 3.697 3.960 0.020 0.000 0.230 137 G HA3 -0.275 3.697 3.960 0.020 0.000 0.230 137 G C -0.754 174.035 174.900 -0.185 0.000 1.386 137 G CA 0.161 45.197 45.100 -0.107 0.000 0.875 137 G HN 0.661 nan 8.290 nan 0.000 0.557 138 Q N -0.374 119.169 119.800 -0.429 0.000 2.316 138 Q HA 0.612 4.964 4.340 0.020 0.000 0.264 138 Q C -0.779 174.977 176.000 -0.407 0.000 0.987 138 Q CA -0.418 55.206 55.803 -0.298 0.000 0.852 138 Q CB 1.471 30.114 28.738 -0.158 0.000 1.287 138 Q HN 0.591 nan 8.270 nan 0.000 0.448 139 T N 4.981 119.490 114.554 -0.075 0.000 2.797 139 T HA 0.591 4.953 4.350 0.020 0.000 0.279 139 T C -0.696 174.073 174.700 0.115 0.000 0.991 139 T CA -0.571 61.591 62.100 0.103 0.000 0.979 139 T CB 0.727 69.810 68.868 0.359 0.000 0.943 139 T HN 0.689 nan 8.240 nan 0.000 0.444 140 R N 2.767 123.334 120.500 0.112 0.000 2.781 140 R HA 0.760 5.112 4.340 0.020 0.000 0.269 140 R C -1.606 174.757 176.300 0.105 0.000 1.025 140 R CA -0.983 55.183 56.100 0.111 0.000 0.914 140 R CB 1.468 31.812 30.300 0.073 0.000 1.236 140 R HN 0.577 nan 8.270 nan 0.000 0.465 141 I N 1.635 122.263 120.570 0.098 0.000 2.846 141 I HA 0.573 4.755 4.170 0.020 0.000 0.307 141 I C -1.151 174.941 176.117 -0.041 0.000 1.053 141 I CA -1.560 59.735 61.300 -0.009 0.000 1.050 141 I CB 2.044 40.005 38.000 -0.065 0.000 1.239 141 I HN 0.635 nan 8.210 nan 0.000 0.439 142 I N 4.184 124.607 120.570 -0.245 0.000 2.582 142 I HA 0.389 4.571 4.170 0.020 0.000 0.292 142 I C -1.576 174.251 176.117 -0.483 0.000 1.066 142 I CA -0.538 60.631 61.300 -0.219 0.000 1.053 142 I CB 1.899 39.824 38.000 -0.126 0.000 1.241 142 I HN 0.353 nan 8.210 nan 0.000 0.421 143 F N 3.241 123.159 119.950 -0.054 0.000 2.449 143 F HA 0.359 4.898 4.527 0.019 0.000 0.342 143 F C 0.972 176.649 175.800 -0.205 0.000 1.127 143 F CA -0.475 57.422 58.000 -0.173 0.000 0.975 143 F CB 1.509 40.362 39.000 -0.245 0.000 1.146 143 F HN 0.437 nan 8.300 nan 0.000 0.444 144 D N 2.056 122.364 120.400 -0.153 0.000 2.271 144 D HA 0.153 4.805 4.640 0.020 0.000 0.206 144 D C 0.812 176.923 176.300 -0.316 0.000 0.967 144 D CA 0.738 54.606 54.000 -0.220 0.000 0.867 144 D CB 0.742 41.382 40.800 -0.267 0.000 0.960 144 D HN 0.647 nan 8.370 nan 0.000 0.509 145 G N 0.205 108.701 108.800 -0.507 0.000 2.160 145 G HA2 0.417 4.389 3.960 0.020 0.000 0.288 145 G HA3 0.417 4.389 3.960 0.020 0.000 0.288 145 G C -1.286 173.103 174.900 -0.851 0.000 1.335 145 G CA -0.347 44.227 45.100 -0.878 0.000 1.249 145 G HN -0.074 nan 8.290 nan 0.000 0.614 146 V N 2.329 122.063 119.914 -0.299 0.000 2.378 146 V HA 0.466 4.598 4.120 0.020 0.000 0.288 146 V C -0.448 175.699 176.094 0.089 0.000 1.016 146 V CA -1.054 61.124 62.300 -0.203 0.000 0.840 146 V CB 1.601 33.046 31.823 -0.630 0.000 0.994 146 V HN 0.635 nan 8.190 nan 0.000 0.431 147 N N 2.527 121.303 118.700 0.128 0.000 2.446 147 N HA 0.351 5.102 4.740 0.020 0.000 0.265 147 N C 0.629 176.093 175.510 -0.076 0.000 0.975 147 N CA 0.208 53.280 53.050 0.037 0.000 0.928 147 N CB 2.026 40.462 38.487 -0.085 0.000 1.160 147 N HN 0.613 nan 8.380 nan 0.000 0.495 148 S N 2.111 117.796 115.700 -0.026 0.000 2.524 148 S HA 0.556 5.038 4.470 0.020 0.000 0.222 148 S C 0.364 175.024 174.600 0.100 0.000 1.040 148 S CA 0.317 58.546 58.200 0.048 0.000 0.915 148 S CB 0.204 63.443 63.200 0.064 0.000 0.831 148 S HN 0.584 nan 8.310 nan 0.000 0.492 149 A N 0.644 123.527 122.820 0.106 0.000 2.567 149 A HA 0.863 5.195 4.320 0.020 0.000 0.289 149 A C -1.338 176.338 177.584 0.153 0.000 1.177 149 A CA -0.856 51.211 52.037 0.049 0.000 0.694 149 A CB 0.884 19.928 19.000 0.074 0.000 1.292 149 A HN 1.273 nan 8.150 nan 0.000 0.425 150 F N -1.552 118.195 119.950 -0.337 0.000 2.740 150 F HA 0.612 5.151 4.527 0.020 0.000 0.312 150 F C -1.426 174.227 175.800 -0.244 0.000 1.121 150 F CA -0.751 57.123 58.000 -0.208 0.000 0.977 150 F CB 0.763 39.644 39.000 -0.198 0.000 1.265 150 F HN 0.682 nan 8.300 nan 0.000 0.443 151 H N 2.129 121.239 119.070 0.067 0.000 2.533 151 H HA 0.804 5.372 4.556 0.020 0.000 0.343 151 H C -1.359 173.907 175.328 -0.104 0.000 1.160 151 H CA -0.740 55.273 56.048 -0.059 0.000 1.218 151 H CB 2.422 32.136 29.762 -0.080 0.000 1.566 151 H HN 0.866 nan 8.280 nan 0.000 0.522 152 L N 2.229 123.268 121.223 -0.307 0.000 2.438 152 L HA 0.372 4.724 4.340 0.020 0.000 0.270 152 L C -1.837 174.796 176.870 -0.395 0.000 0.972 152 L CA -0.477 54.222 54.840 -0.234 0.000 0.831 152 L CB 1.430 43.282 42.059 -0.345 0.000 1.273 152 L HN 0.493 nan 8.230 nan 0.000 0.405 153 W N 4.752 126.065 121.300 0.021 0.000 2.666 153 W HA 0.626 5.298 4.660 0.020 0.000 0.334 153 W C -0.743 175.750 176.519 -0.044 0.000 1.051 153 W CA -0.947 56.390 57.345 -0.013 0.000 1.224 153 W CB 1.975 31.470 29.460 0.059 0.000 1.405 153 W HN 0.749 nan 8.180 nan 0.000 0.513 154 C N 4.710 124.113 119.300 0.171 0.000 2.507 154 C HA 0.358 4.829 4.460 0.020 0.000 0.319 154 C C 0.584 175.730 174.990 0.261 0.000 1.208 154 C CA -0.362 58.756 59.018 0.167 0.000 1.619 154 C CB 0.159 27.924 27.740 0.041 0.000 2.230 154 C HN 0.830 nan 8.230 nan 0.000 0.492 155 N N 3.058 121.867 118.700 0.181 0.000 2.701 155 N HA -0.191 4.561 4.740 0.020 0.000 0.250 155 N C 1.026 176.612 175.510 0.127 0.000 1.046 155 N CA 2.112 55.237 53.050 0.125 0.000 0.733 155 N CB -1.383 37.170 38.487 0.110 0.000 0.973 155 N HN 1.949 nan 8.380 nan 0.000 0.541 156 G N -1.444 107.423 108.800 0.111 0.000 2.184 156 G HA2 -0.380 3.592 3.960 0.020 0.000 0.264 156 G HA3 -0.380 3.592 3.960 0.020 0.000 0.264 156 G C 0.173 175.230 174.900 0.261 0.000 0.975 156 G CA 0.694 45.843 45.100 0.082 0.000 0.642 156 G HN 0.586 nan 8.290 nan 0.000 0.536 157 R N -1.222 119.515 120.500 0.396 0.000 2.474 157 R HA 0.467 4.819 4.340 0.020 0.000 0.295 157 R C -0.376 176.281 176.300 0.595 0.000 0.980 157 R CA -0.887 55.534 56.100 0.535 0.000 0.934 157 R CB 1.005 31.622 30.300 0.528 0.000 1.101 157 R HN 0.208 nan 8.270 nan 0.000 0.469 158 W N 3.965 125.489 121.300 0.373 0.000 2.419 158 W HA 0.150 4.821 4.660 0.020 0.000 0.312 158 W C 0.098 176.556 176.519 -0.100 0.000 1.323 158 W CA -0.220 57.051 57.345 -0.124 0.000 1.293 158 W CB 0.610 29.914 29.460 -0.260 0.000 1.324 158 W HN 0.352 nan 8.180 nan 0.000 0.512 159 V N 5.936 125.060 119.914 -1.315 0.000 2.341 159 V HA 0.419 4.551 4.120 0.020 0.000 0.240 159 V C 1.276 176.281 176.094 -1.815 0.000 1.035 159 V CA 1.554 63.038 62.300 -1.361 0.000 1.033 159 V CB -0.853 30.316 31.823 -1.090 0.000 0.678 159 V HN 0.787 nan 8.190 nan 0.000 0.464 160 G N -2.301 105.267 108.800 -2.053 0.000 2.321 160 G HA2 0.398 4.369 3.960 0.020 0.000 0.296 160 G HA3 0.398 4.369 3.960 0.020 0.000 0.296 160 G C -2.398 172.217 174.900 -0.475 0.000 1.287 160 G CA -0.363 44.004 45.100 -1.222 0.000 0.846 160 G HN -0.013 nan 8.290 nan 0.000 0.508 161 Y N -0.155 119.996 120.300 -0.248 0.000 2.512 161 Y HA 0.710 5.272 4.550 0.020 0.000 0.348 161 Y C 0.104 175.835 175.900 -0.280 0.000 0.990 161 Y CA -0.043 57.836 58.100 -0.367 0.000 1.033 161 Y CB 2.428 40.778 38.460 -0.183 0.000 1.259 161 Y HN 1.127 nan 8.280 nan 0.000 0.461 162 G N 4.292 112.309 108.800 -1.304 0.000 2.753 162 G HA2 0.549 4.521 3.960 0.020 0.000 0.297 162 G HA3 0.549 4.521 3.960 0.020 0.000 0.297 162 G C -2.077 172.388 174.900 -0.724 0.000 1.430 162 G CA -0.829 43.791 45.100 -0.799 0.000 1.040 162 G HN 0.580 nan 8.290 nan 0.000 0.530 163 Q N 0.421 120.032 119.800 -0.315 0.000 2.399 163 Q HA 0.605 4.957 4.340 0.020 0.000 0.276 163 Q C -1.255 174.752 176.000 0.012 0.000 1.098 163 Q CA -0.813 54.924 55.803 -0.109 0.000 0.827 163 Q CB 2.792 31.523 28.738 -0.010 0.000 1.386 163 Q HN 0.669 nan 8.270 nan 0.000 0.443 164 D N -0.046 120.398 120.400 0.074 0.000 5.686 164 D HA -0.096 4.556 4.640 0.020 0.000 0.230 164 D C -0.386 175.983 176.300 0.115 0.000 1.687 164 D CA 0.613 54.672 54.000 0.098 0.000 1.416 164 D CB -0.332 40.512 40.800 0.073 0.000 0.574 164 D HN 0.594 nan 8.370 nan 0.000 0.304 165 S N 3.842 119.625 115.700 0.138 0.000 2.489 165 S HA -0.018 4.464 4.470 0.020 0.000 0.228 165 S C 1.526 176.278 174.600 0.252 0.000 0.995 165 S CA 0.291 58.607 58.200 0.194 0.000 0.934 165 S CB 0.362 63.662 63.200 0.166 0.000 0.771 165 S HN 0.515 nan 8.310 nan 0.000 0.522 166 R N 0.530 121.142 120.500 0.187 0.000 2.393 166 R HA 0.448 4.800 4.340 0.020 0.000 0.244 166 R C -0.203 176.173 176.300 0.126 0.000 0.920 166 R CA 0.035 56.254 56.100 0.198 0.000 1.076 166 R CB -0.151 30.298 30.300 0.249 0.000 1.119 166 R HN 0.376 nan 8.270 nan 0.000 0.524 167 L N 1.309 122.573 121.223 0.067 0.000 2.354 167 L HA 0.475 4.827 4.340 0.020 0.000 0.264 167 L C -2.444 174.407 176.870 -0.032 0.000 1.008 167 L CA -2.338 52.508 54.840 0.010 0.000 0.819 167 L CB 2.819 44.877 42.059 -0.002 0.000 1.339 167 L HN -0.268 nan 8.230 nan 0.000 0.420 168 P HA 0.108 nan 4.420 nan 0.000 0.270 168 P C -0.993 176.256 177.300 -0.085 0.000 1.242 168 P CA -0.001 63.041 63.100 -0.097 0.000 0.768 168 P CB 0.728 32.333 31.700 -0.159 0.000 0.820 169 S N 3.140 118.843 115.700 0.005 0.000 2.457 169 S HA 0.318 4.800 4.470 0.020 0.000 0.289 169 S C -0.192 174.380 174.600 -0.045 0.000 1.163 169 S CA -0.590 57.604 58.200 -0.011 0.000 1.078 169 S CB 0.468 63.846 63.200 0.297 0.000 0.987 169 S HN 0.378 nan 8.310 nan 0.000 0.482 170 E N 2.253 122.231 120.200 -0.369 0.000 2.293 170 E HA 0.579 4.941 4.350 0.020 0.000 0.270 170 E C -1.506 174.748 176.600 -0.576 0.000 0.879 170 E CA -0.699 55.548 56.400 -0.254 0.000 0.756 170 E CB 1.646 31.296 29.700 -0.083 0.000 1.208 170 E HN 0.393 nan 8.360 nan 0.000 0.428 171 F N 0.431 120.425 119.950 0.074 0.000 2.565 171 F HA 0.239 4.778 4.527 0.020 0.000 0.313 171 F C -0.066 175.736 175.800 0.003 0.000 1.091 171 F CA -1.222 56.783 58.000 0.008 0.000 0.915 171 F CB 1.469 40.436 39.000 -0.055 0.000 1.208 171 F HN 0.324 nan 8.300 nan 0.000 0.453 172 D N 2.580 123.081 120.400 0.169 0.000 2.325 172 D HA 0.196 4.848 4.640 0.020 0.000 0.251 172 D C 0.361 176.742 176.300 0.136 0.000 1.196 172 D CA 0.249 54.327 54.000 0.129 0.000 0.866 172 D CB 1.008 41.873 40.800 0.108 0.000 1.101 172 D HN 0.610 nan 8.370 nan 0.000 0.476 173 L N 2.733 124.047 121.223 0.152 0.000 2.529 173 L HA -0.028 4.324 4.340 0.020 0.000 0.223 173 L C 2.265 179.335 176.870 0.333 0.000 1.113 173 L CA -0.096 54.852 54.840 0.181 0.000 0.861 173 L CB -0.086 42.075 42.059 0.170 0.000 1.012 173 L HN 0.317 nan 8.230 nan 0.000 0.461 174 S N 1.345 117.203 115.700 0.264 0.000 2.414 174 S HA -0.340 4.142 4.470 0.020 0.000 0.241 174 S C 1.969 176.710 174.600 0.234 0.000 1.079 174 S CA 1.834 60.172 58.200 0.230 0.000 1.087 174 S CB -0.388 62.903 63.200 0.152 0.000 0.927 174 S HN 0.564 nan 8.310 nan 0.000 0.456 175 A N -0.670 122.329 122.820 0.299 0.000 2.251 175 A HA 0.435 4.767 4.320 0.020 0.000 0.209 175 A C 1.210 178.750 177.584 -0.073 0.000 1.187 175 A CA 0.189 52.275 52.037 0.082 0.000 0.823 175 A CB -0.280 18.681 19.000 -0.063 0.000 0.846 175 A HN 0.467 nan 8.150 nan 0.000 0.486 176 F N -0.906 119.087 119.950 0.073 0.000 2.740 176 F HA 0.370 4.909 4.527 0.020 0.000 0.304 176 F C 0.673 176.514 175.800 0.068 0.000 1.098 176 F CA -0.723 57.319 58.000 0.069 0.000 1.258 176 F CB -0.081 38.967 39.000 0.079 0.000 1.061 176 F HN -0.070 nan 8.300 nan 0.000 0.598 177 L N 2.677 124.085 121.223 0.308 0.000 2.426 177 L HA 0.298 4.650 4.340 0.020 0.000 0.271 177 L C 0.229 177.167 176.870 0.113 0.000 1.169 177 L CA 0.012 54.974 54.840 0.203 0.000 0.836 177 L CB 0.738 42.941 42.059 0.240 0.000 1.112 177 L HN 0.188 nan 8.230 nan 0.000 0.465 178 R N 2.357 122.884 120.500 0.045 0.000 2.888 178 R HA 0.753 5.104 4.340 0.020 0.000 0.264 178 R C -0.867 175.419 176.300 -0.024 0.000 1.045 178 R CA -0.994 55.111 56.100 0.009 0.000 0.962 178 R CB 1.230 31.526 30.300 -0.007 0.000 1.210 178 R HN 0.515 nan 8.270 nan 0.000 0.479 179 A N 1.299 124.107 122.820 -0.020 0.000 2.515 179 A HA 0.448 4.780 4.320 0.020 0.000 0.263 179 A C 1.196 178.736 177.584 -0.073 0.000 1.096 179 A CA 0.954 52.971 52.037 -0.034 0.000 0.769 179 A CB -1.228 17.761 19.000 -0.019 0.000 1.040 179 A HN 1.217 nan 8.150 nan 0.000 0.505 180 G N 2.290 111.030 108.800 -0.100 0.000 2.652 180 G HA2 -0.206 3.766 3.960 0.020 0.000 0.278 180 G HA3 -0.206 3.766 3.960 0.020 0.000 0.278 180 G C -0.028 174.747 174.900 -0.207 0.000 1.263 180 G CA 0.125 45.146 45.100 -0.132 0.000 0.966 180 G HN 0.863 nan 8.290 nan 0.000 0.544 181 E N 3.268 123.352 120.200 -0.194 0.000 2.351 181 E HA 0.313 4.675 4.350 0.020 0.000 0.266 181 E C 0.329 176.721 176.600 -0.348 0.000 1.031 181 E CA 0.245 56.485 56.400 -0.267 0.000 0.911 181 E CB 0.103 29.693 29.700 -0.184 0.000 0.986 181 E HN 0.527 nan 8.360 nan 0.000 0.446 182 N N 2.871 121.183 118.700 -0.648 0.000 2.321 182 N HA 0.409 5.161 4.740 0.020 0.000 0.290 182 N C -0.471 174.690 175.510 -0.582 0.000 1.212 182 N CA -0.743 51.924 53.050 -0.637 0.000 0.767 182 N CB 2.655 40.715 38.487 -0.711 0.000 1.494 182 N HN 0.184 nan 8.380 nan 0.000 0.479 183 R N 1.292 121.707 120.500 -0.143 0.000 2.599 183 R HA 0.500 4.852 4.340 0.020 0.000 0.295 183 R C -1.337 175.095 176.300 0.219 0.000 0.963 183 R CA -0.547 55.589 56.100 0.060 0.000 0.883 183 R CB 1.262 31.542 30.300 -0.033 0.000 1.171 183 R HN 0.523 nan 8.270 nan 0.000 0.450 184 L N 3.031 124.413 121.223 0.266 0.000 2.307 184 L HA 0.604 4.956 4.340 0.020 0.000 0.284 184 L C -0.449 176.506 176.870 0.143 0.000 1.023 184 L CA -0.702 54.267 54.840 0.215 0.000 0.810 184 L CB 1.931 44.078 42.059 0.146 0.000 1.231 184 L HN 0.720 nan 8.230 nan 0.000 0.423 185 A N 4.239 127.155 122.820 0.160 0.000 2.291 185 A HA 0.734 5.066 4.320 0.020 0.000 0.311 185 A C -0.927 176.965 177.584 0.513 0.000 1.224 185 A CA -0.448 51.639 52.037 0.084 0.000 0.821 185 A CB 1.297 19.949 19.000 -0.580 0.000 1.172 185 A HN 0.388 nan 8.150 nan 0.000 0.494 186 V N 4.127 124.489 119.914 0.747 0.000 2.376 186 V HA 0.375 4.507 4.120 0.020 0.000 0.287 186 V C -0.073 176.508 176.094 0.812 0.000 1.015 186 V CA -0.319 62.401 62.300 0.700 0.000 0.834 186 V CB 1.484 33.576 31.823 0.450 0.000 1.001 186 V HN 0.946 nan 8.190 nan 0.000 0.428 187 M N 5.710 125.798 119.600 0.812 0.000 2.080 187 M HA 0.441 4.933 4.480 0.020 0.000 0.350 187 M C -1.034 175.502 176.300 0.394 0.000 1.143 187 M CA -0.349 55.299 55.300 0.581 0.000 1.064 187 M CB 1.288 34.336 32.600 0.747 0.000 1.429 187 M HN 0.459 nan 8.290 nan 0.000 0.418 188 V N 6.094 126.200 119.914 0.319 0.000 2.465 188 V HA 0.383 4.514 4.120 0.020 0.000 0.279 188 V C -0.267 175.967 176.094 0.233 0.000 1.045 188 V CA -0.685 61.803 62.300 0.315 0.000 0.938 188 V CB 1.372 33.462 31.823 0.445 0.000 0.986 188 V HN 0.647 nan 8.190 nan 0.000 0.467 189 L N 4.356 125.662 121.223 0.137 0.000 2.334 189 L HA 0.600 4.952 4.340 0.020 0.000 0.273 189 L C 1.129 178.005 176.870 0.010 0.000 1.013 189 L CA -0.193 54.663 54.840 0.028 0.000 0.816 189 L CB 1.212 43.168 42.059 -0.173 0.000 1.278 189 L HN 0.524 nan 8.230 nan 0.000 0.431 190 R N 1.690 122.113 120.500 -0.129 0.000 2.051 190 R HA 0.049 4.401 4.340 0.020 0.000 0.225 190 R C -0.279 175.752 176.300 -0.449 0.000 1.155 190 R CA 0.740 56.535 56.100 -0.507 0.000 0.945 190 R CB 0.026 29.795 30.300 -0.885 0.000 0.840 190 R HN 0.616 nan 8.270 nan 0.000 0.432 191 W N 1.309 122.686 121.300 0.128 0.000 2.261 191 W HA 0.277 4.948 4.660 0.019 0.000 0.323 191 W C 0.117 176.763 176.519 0.211 0.000 1.243 191 W CA -0.707 56.721 57.345 0.138 0.000 1.210 191 W CB 1.086 30.636 29.460 0.149 0.000 1.149 191 W HN 0.179 nan 8.180 nan 0.000 0.562 192 S N -0.611 115.381 115.700 0.486 0.000 2.615 192 S HA 0.154 4.636 4.470 0.020 0.000 0.269 192 S C 0.107 174.955 174.600 0.414 0.000 1.161 192 S CA -0.461 58.027 58.200 0.480 0.000 0.817 192 S CB 1.190 64.635 63.200 0.409 0.000 1.131 192 S HN 0.631 nan 8.310 nan 0.000 0.467 193 D N 0.488 121.133 120.400 0.408 0.000 2.309 193 D HA 0.067 4.719 4.640 0.020 0.000 0.212 193 D C 1.731 178.339 176.300 0.513 0.000 0.968 193 D CA 1.265 55.549 54.000 0.473 0.000 0.882 193 D CB -0.659 40.320 40.800 0.299 0.000 0.918 193 D HN 0.718 nan 8.370 nan 0.000 0.503 194 G N -0.065 108.961 108.800 0.376 0.000 2.432 194 G HA2 -0.273 3.699 3.960 0.020 0.000 0.219 194 G HA3 -0.273 3.699 3.960 0.020 0.000 0.219 194 G C 1.769 176.849 174.900 0.299 0.000 1.135 194 G CA 0.713 46.004 45.100 0.318 0.000 0.767 194 G HN 0.319 nan 8.290 nan 0.000 0.550 195 S N 0.005 115.875 115.700 0.283 0.000 2.370 195 S HA -0.150 4.332 4.470 0.020 0.000 0.226 195 S C 1.990 176.718 174.600 0.212 0.000 1.033 195 S CA 1.112 59.451 58.200 0.233 0.000 1.011 195 S CB -0.453 62.888 63.200 0.235 0.000 0.852 195 S HN 0.545 nan 8.310 nan 0.000 0.457 196 Y N 1.284 121.706 120.300 0.203 0.000 2.298 196 Y HA -0.087 4.475 4.550 0.020 0.000 0.287 196 Y C 1.804 177.789 175.900 0.143 0.000 1.164 196 Y CA 0.855 58.997 58.100 0.070 0.000 1.229 196 Y CB -0.247 38.077 38.460 -0.226 0.000 0.977 196 Y HN 0.217 nan 8.280 nan 0.000 0.538 197 L N -0.454 120.926 121.223 0.262 0.000 2.592 197 L HA 0.048 4.400 4.340 0.020 0.000 0.227 197 L C 0.274 177.254 176.870 0.185 0.000 1.127 197 L CA 0.493 55.445 54.840 0.186 0.000 0.884 197 L CB -0.027 42.153 42.059 0.202 0.000 1.065 197 L HN 0.172 nan 8.230 nan 0.000 0.457 198 E N -0.162 120.162 120.200 0.207 0.000 3.105 198 E HA 0.015 4.377 4.350 0.020 0.000 0.219 198 E C -0.247 176.421 176.600 0.113 0.000 1.064 198 E CA -0.163 56.341 56.400 0.174 0.000 1.342 198 E CB 0.312 30.119 29.700 0.178 0.000 1.295 198 E HN 0.032 nan 8.360 nan 0.000 0.438 199 D N 1.280 121.688 120.400 0.014 0.000 2.494 199 D HA -0.023 4.629 4.640 0.020 0.000 0.249 199 D C -0.287 175.935 176.300 -0.129 0.000 1.223 199 D CA 0.152 54.013 54.000 -0.232 0.000 0.865 199 D CB -0.083 40.294 40.800 -0.705 0.000 0.974 199 D HN 0.167 nan 8.370 nan 0.000 0.491 200 Q N 0.558 120.369 119.800 0.018 0.000 2.274 200 Q HA 0.014 4.366 4.340 0.020 0.000 0.280 200 Q C 0.095 176.139 176.000 0.073 0.000 1.047 200 Q CA 0.067 55.931 55.803 0.102 0.000 0.907 200 Q CB 0.647 29.573 28.738 0.315 0.000 1.171 200 Q HN 0.014 nan 8.270 nan 0.000 0.381 201 D N 4.119 124.571 120.400 0.087 0.000 2.685 201 D HA -0.000 4.651 4.640 0.020 0.000 0.230 201 D C -0.786 175.642 176.300 0.213 0.000 1.098 201 D CA 0.461 54.516 54.000 0.092 0.000 1.246 201 D CB -0.435 40.430 40.800 0.109 0.000 1.136 201 D HN 0.445 nan 8.370 nan 0.000 0.472 202 M N -0.952 118.738 119.600 0.151 0.000 3.008 202 M HA 0.463 4.954 4.480 0.020 0.000 0.271 202 M C -1.064 175.323 176.300 0.146 0.000 1.265 202 M CA -1.225 54.134 55.300 0.098 0.000 0.817 202 M CB 0.921 33.476 32.600 -0.075 0.000 1.638 202 M HN -0.179 nan 8.290 nan 0.000 0.479 203 W N 1.820 123.217 121.300 0.161 0.000 2.193 203 W HA 0.307 4.979 4.660 0.020 0.000 0.338 203 W C 0.165 176.708 176.519 0.040 0.000 1.310 203 W CA 0.070 57.504 57.345 0.148 0.000 1.243 203 W CB 0.341 29.813 29.460 0.021 0.000 1.165 203 W HN 0.259 nan 8.180 nan 0.000 0.566 204 R N 4.841 125.528 120.500 0.311 0.000 2.215 204 R HA 0.392 4.743 4.340 0.020 0.000 0.336 204 R C 0.083 176.431 176.300 0.080 0.000 0.996 204 R CA -0.256 55.944 56.100 0.167 0.000 0.847 204 R CB 0.147 30.571 30.300 0.207 0.000 1.127 204 R HN 0.544 nan 8.270 nan 0.000 0.465 205 M N 0.272 119.820 119.600 -0.087 0.000 2.407 205 M HA 0.563 5.055 4.480 0.020 0.000 0.235 205 M C -0.094 175.947 176.300 -0.431 0.000 0.846 205 M CA -0.866 54.275 55.300 -0.265 0.000 1.540 205 M CB 1.218 33.634 32.600 -0.306 0.000 1.274 205 M HN 0.566 nan 8.290 nan 0.000 0.802 206 S N -1.435 113.900 115.700 -0.608 0.000 2.680 206 S HA 0.702 5.184 4.470 0.020 0.000 0.284 206 S C -0.700 173.459 174.600 -0.735 0.000 1.055 206 S CA -0.434 57.312 58.200 -0.756 0.000 0.849 206 S CB 1.053 63.560 63.200 -1.154 0.000 1.068 206 S HN 1.554 nan 8.310 nan 0.000 0.453 207 G N 0.359 108.939 108.800 -0.366 0.000 2.334 207 G HA2 0.232 4.203 3.960 0.020 0.000 0.315 207 G HA3 0.232 4.203 3.960 0.020 0.000 0.315 207 G C -1.304 173.582 174.900 -0.024 0.000 1.284 207 G CA -0.605 44.499 45.100 0.007 0.000 0.985 207 G HN 1.270 nan 8.290 nan 0.000 0.504 208 I N 2.295 122.712 120.570 -0.255 0.000 2.213 208 I HA 0.208 4.390 4.170 0.020 0.000 0.295 208 I C 1.284 177.260 176.117 -0.234 0.000 1.172 208 I CA 0.034 61.070 61.300 -0.441 0.000 1.443 208 I CB -0.852 36.673 38.000 -0.791 0.000 1.491 208 I HN 0.500 nan 8.210 nan 0.000 0.652 209 F N 2.612 122.423 119.950 -0.231 0.000 2.797 209 F HA 0.385 4.923 4.527 0.019 0.000 0.302 209 F C 0.821 176.544 175.800 -0.129 0.000 1.130 209 F CA -0.499 57.396 58.000 -0.175 0.000 1.387 209 F CB -0.012 38.890 39.000 -0.163 0.000 1.107 209 F HN 0.123 nan 8.300 nan 0.000 0.577 210 R N 0.276 120.332 120.500 -0.740 0.000 2.950 210 R HA 0.249 4.601 4.340 0.020 0.000 0.253 210 R C -0.885 175.214 176.300 -0.335 0.000 1.168 210 R CA -1.135 54.662 56.100 -0.505 0.000 1.014 210 R CB 0.719 30.632 30.300 -0.644 0.000 1.228 210 R HN -0.041 nan 8.270 nan 0.000 0.487 211 D N 1.128 121.395 120.400 -0.220 0.000 2.458 211 D HA 0.120 4.772 4.640 0.020 0.000 0.243 211 D C -0.476 175.695 176.300 -0.215 0.000 1.146 211 D CA 0.205 54.106 54.000 -0.166 0.000 0.877 211 D CB 0.772 41.530 40.800 -0.071 0.000 1.176 211 D HN -0.006 nan 8.370 nan 0.000 0.461 212 V N 1.989 121.775 119.914 -0.213 0.000 2.459 212 V HA 0.558 4.690 4.120 0.020 0.000 0.295 212 V C 0.151 176.126 176.094 -0.198 0.000 1.029 212 V CA -0.431 61.686 62.300 -0.305 0.000 0.874 212 V CB 1.481 33.129 31.823 -0.292 0.000 0.985 212 V HN 0.734 nan 8.190 nan 0.000 0.438 213 S N 4.565 120.118 115.700 -0.245 0.000 2.671 213 S HA 0.877 5.358 4.470 0.020 0.000 0.277 213 S C -1.156 173.386 174.600 -0.096 0.000 1.165 213 S CA -0.929 57.197 58.200 -0.123 0.000 0.822 213 S CB 1.976 65.135 63.200 -0.068 0.000 1.150 213 S HN 0.409 nan 8.310 nan 0.000 0.479 214 L N 1.089 122.325 121.223 0.021 0.000 2.410 214 L HA 0.720 5.072 4.340 0.020 0.000 0.270 214 L C -1.669 175.329 176.870 0.214 0.000 0.983 214 L CA -0.591 54.331 54.840 0.136 0.000 0.822 214 L CB 1.944 44.138 42.059 0.224 0.000 1.285 214 L HN 0.638 nan 8.230 nan 0.000 0.409 215 L N 2.944 124.268 121.223 0.169 0.000 2.410 215 L HA 0.479 4.831 4.340 0.020 0.000 0.270 215 L C -1.023 175.798 176.870 -0.082 0.000 0.983 215 L CA -0.159 54.719 54.840 0.063 0.000 0.822 215 L CB 1.564 43.643 42.059 0.034 0.000 1.285 215 L HN 0.519 nan 8.230 nan 0.000 0.409 216 H N 5.537 124.349 119.070 -0.431 0.000 2.581 216 H HA 0.447 5.015 4.556 0.020 0.000 0.308 216 H C -1.199 173.874 175.328 -0.426 0.000 1.040 216 H CA -0.518 55.094 56.048 -0.727 0.000 1.231 216 H CB 0.970 29.609 29.762 -1.872 0.000 1.396 216 H HN 0.495 nan 8.280 nan 0.000 0.467 217 K N 5.757 125.718 120.400 -0.732 0.000 2.318 217 K HA 0.354 4.686 4.320 0.020 0.000 0.249 217 K C -2.668 173.639 176.600 -0.489 0.000 0.942 217 K CA -2.060 53.952 56.287 -0.459 0.000 0.808 217 K CB 2.235 34.546 32.500 -0.315 0.000 1.189 217 K HN 0.475 nan 8.250 nan 0.000 0.428 218 P HA 0.016 nan 4.420 nan 0.000 0.271 218 P C 0.589 177.788 177.300 -0.168 0.000 1.233 218 P CA 0.020 63.010 63.100 -0.183 0.000 0.789 218 P CB 0.292 31.931 31.700 -0.102 0.000 0.951 219 T N -1.370 113.119 114.554 -0.108 0.000 2.652 219 T HA -0.081 4.281 4.350 0.020 0.000 0.267 219 T C 0.704 175.350 174.700 -0.089 0.000 1.039 219 T CA 1.486 63.534 62.100 -0.086 0.000 1.153 219 T CB -1.069 67.772 68.868 -0.046 0.000 0.863 219 T HN 0.388 nan 8.240 nan 0.000 0.428 220 T N 3.443 117.953 114.554 -0.073 0.000 2.780 220 T HA 0.490 4.851 4.350 0.020 0.000 0.294 220 T C -0.041 174.597 174.700 -0.103 0.000 0.949 220 T CA -0.640 61.408 62.100 -0.087 0.000 1.074 220 T CB 0.713 69.540 68.868 -0.067 0.000 0.910 220 T HN 0.616 nan 8.240 nan 0.000 0.501 221 Q N 2.129 121.847 119.800 -0.136 0.000 2.832 221 Q HA 0.451 4.802 4.340 0.020 0.000 0.322 221 Q C -1.465 174.425 176.000 -0.182 0.000 0.842 221 Q CA -1.064 54.642 55.803 -0.162 0.000 0.780 221 Q CB 0.775 29.388 28.738 -0.209 0.000 1.411 221 Q HN 0.473 nan 8.270 nan 0.000 0.490 222 I N 3.013 123.434 120.570 -0.247 0.000 2.347 222 I HA 0.036 4.218 4.170 0.020 0.000 0.294 222 I C 0.935 176.874 176.117 -0.296 0.000 1.090 222 I CA 0.049 61.197 61.300 -0.253 0.000 1.314 222 I CB 0.968 38.783 38.000 -0.307 0.000 1.423 222 I HN 0.746 nan 8.210 nan 0.000 0.503 223 S N 3.254 118.910 115.700 -0.074 0.000 2.395 223 S HA 0.038 4.520 4.470 0.020 0.000 0.225 223 S C 0.431 175.232 174.600 0.335 0.000 1.027 223 S CA 0.207 58.442 58.200 0.058 0.000 0.965 223 S CB 0.055 63.267 63.200 0.021 0.000 0.812 223 S HN 0.742 nan 8.310 nan 0.000 0.482 224 D N -0.718 119.886 120.400 0.340 0.000 2.755 224 D HA 0.533 5.185 4.640 0.020 0.000 0.277 224 D C -1.958 174.588 176.300 0.410 0.000 1.261 224 D CA -0.906 53.359 54.000 0.443 0.000 0.759 224 D CB 1.230 42.178 40.800 0.247 0.000 1.279 224 D HN 0.227 nan 8.370 nan 0.000 0.420 225 F N -0.899 119.114 119.950 0.104 0.000 2.680 225 F HA 0.545 5.084 4.527 0.020 0.000 0.315 225 F C -1.868 173.965 175.800 0.055 0.000 1.099 225 F CA -0.817 57.143 58.000 -0.067 0.000 1.033 225 F CB 0.508 39.519 39.000 0.018 0.000 1.285 225 F HN 0.343 nan 8.300 nan 0.000 0.457 226 H N 1.865 120.889 119.070 -0.076 0.000 2.731 226 H HA 0.897 5.465 4.556 0.020 0.000 0.368 226 H C -1.452 173.884 175.328 0.013 0.000 1.168 226 H CA -1.770 54.200 56.048 -0.129 0.000 1.181 226 H CB 2.687 32.396 29.762 -0.087 0.000 1.743 226 H HN 0.654 nan 8.280 nan 0.000 0.547 227 V N 0.897 120.875 119.914 0.108 0.000 2.760 227 V HA 0.742 4.874 4.120 0.020 0.000 0.309 227 V C -0.976 175.106 176.094 -0.020 0.000 1.077 227 V CA -0.426 61.904 62.300 0.050 0.000 0.910 227 V CB 1.622 33.481 31.823 0.060 0.000 1.008 227 V HN 1.033 nan 8.190 nan 0.000 0.424 228 A N 2.953 125.741 122.820 -0.055 0.000 2.515 228 A HA 0.891 5.223 4.320 0.020 0.000 0.298 228 A C -0.421 177.066 177.584 -0.162 0.000 1.059 228 A CA -0.301 51.683 52.037 -0.089 0.000 0.698 228 A CB 2.172 21.145 19.000 -0.045 0.000 1.289 228 A HN 0.997 nan 8.150 nan 0.000 0.404 229 T N 0.048 114.472 114.554 -0.216 0.000 2.934 229 T HA 0.615 4.977 4.350 0.020 0.000 0.328 229 T C -0.399 173.999 174.700 -0.502 0.000 1.068 229 T CA -0.588 61.288 62.100 -0.373 0.000 1.018 229 T CB 0.343 68.878 68.868 -0.555 0.000 1.009 229 T HN 0.641 nan 8.240 nan 0.000 0.471 230 R N 2.467 122.698 120.500 -0.447 0.000 2.349 230 R HA 0.671 5.023 4.340 0.020 0.000 0.299 230 R C -0.646 175.262 176.300 -0.654 0.000 1.027 230 R CA -0.543 55.325 56.100 -0.387 0.000 0.958 230 R CB 0.726 30.926 30.300 -0.167 0.000 1.047 230 R HN 0.519 nan 8.270 nan 0.000 0.468 231 F N 0.453 120.411 119.950 0.015 0.000 2.629 231 F HA 0.428 4.965 4.527 0.017 0.000 0.386 231 F C 0.711 176.405 175.800 -0.177 0.000 1.135 231 F CA -1.198 56.762 58.000 -0.068 0.000 1.116 231 F CB 0.451 39.368 39.000 -0.138 0.000 1.426 231 F HN 0.472 nan 8.300 nan 0.000 0.501 232 N N -0.341 118.349 118.700 -0.018 0.000 2.402 232 N HA 0.137 4.889 4.740 0.020 0.000 0.294 232 N C 0.316 175.654 175.510 -0.287 0.000 1.203 232 N CA -0.320 52.663 53.050 -0.112 0.000 0.838 232 N CB 0.939 39.403 38.487 -0.039 0.000 1.306 232 N HN 0.701 nan 8.380 nan 0.000 0.510 233 D N 0.293 120.587 120.400 -0.176 0.000 2.242 233 D HA -0.311 4.341 4.640 0.020 0.000 0.190 233 D C 0.472 176.685 176.300 -0.145 0.000 1.012 233 D CA 2.337 56.245 54.000 -0.155 0.000 0.875 233 D CB -0.491 40.278 40.800 -0.052 0.000 0.922 233 D HN 0.767 nan 8.370 nan 0.000 0.448 234 D N -1.624 118.746 120.400 -0.051 0.000 2.398 234 D HA -0.031 4.621 4.640 0.020 0.000 0.210 234 D C 0.381 176.876 176.300 0.325 0.000 1.094 234 D CA -0.530 53.564 54.000 0.157 0.000 0.839 234 D CB -0.900 39.968 40.800 0.113 0.000 0.963 234 D HN 0.322 nan 8.370 nan 0.000 0.506 235 F N 0.823 120.822 119.950 0.081 0.000 3.056 235 F HA -0.249 4.289 4.527 0.019 0.000 0.301 235 F C 1.465 177.327 175.800 0.103 0.000 0.907 235 F CA 0.661 58.723 58.000 0.104 0.000 1.113 235 F CB -2.544 36.437 39.000 -0.032 0.000 1.123 235 F HN 0.148 nan 8.300 nan 0.000 0.661 236 S N -1.099 114.711 115.700 0.184 0.000 2.486 236 S HA 0.220 4.702 4.470 0.020 0.000 0.220 236 S C 0.758 175.414 174.600 0.093 0.000 1.011 236 S CA -0.125 58.153 58.200 0.129 0.000 0.921 236 S CB 0.488 63.738 63.200 0.083 0.000 0.785 236 S HN 0.408 nan 8.310 nan 0.000 0.517 237 R N 0.906 121.465 120.500 0.099 0.000 2.795 237 R HA 0.901 5.253 4.340 0.020 0.000 0.275 237 R C -0.968 175.382 176.300 0.083 0.000 0.981 237 R CA -0.587 55.543 56.100 0.050 0.000 0.917 237 R CB 1.575 31.882 30.300 0.012 0.000 1.202 237 R HN 0.200 nan 8.270 nan 0.000 0.469 238 A N 0.796 123.613 122.820 -0.005 0.000 2.588 238 A HA 0.740 5.072 4.320 0.020 0.000 0.290 238 A C -1.462 176.068 177.584 -0.089 0.000 1.136 238 A CA -0.732 51.262 52.037 -0.071 0.000 0.681 238 A CB 2.162 21.142 19.000 -0.034 0.000 1.282 238 A HN 0.345 nan 8.150 nan 0.000 0.421 239 V N 0.875 120.712 119.914 -0.127 0.000 2.623 239 V HA 0.494 4.626 4.120 0.020 0.000 0.304 239 V C -0.693 175.378 176.094 -0.038 0.000 1.054 239 V CA -0.345 61.916 62.300 -0.065 0.000 0.882 239 V CB 1.538 33.307 31.823 -0.090 0.000 1.002 239 V HN 0.969 nan 8.190 nan 0.000 0.424 240 L N 4.735 125.977 121.223 0.032 0.000 2.289 240 L HA 0.821 5.173 4.340 0.020 0.000 0.285 240 L C -0.094 176.754 176.870 -0.036 0.000 1.049 240 L CA 0.057 54.886 54.840 -0.018 0.000 0.804 240 L CB 1.344 43.407 42.059 0.006 0.000 1.195 240 L HN 0.921 nan 8.230 nan 0.000 0.428 241 E N 4.731 124.898 120.200 -0.056 0.000 2.234 241 E HA 0.762 5.124 4.350 0.020 0.000 0.266 241 E C -1.706 174.891 176.600 -0.005 0.000 0.877 241 E CA -1.014 55.368 56.400 -0.030 0.000 0.758 241 E CB 2.031 31.710 29.700 -0.035 0.000 1.170 241 E HN 0.793 nan 8.360 nan 0.000 0.415 242 A N 3.461 126.286 122.820 0.009 0.000 2.343 242 A HA 0.451 4.783 4.320 0.020 0.000 0.316 242 A C -0.883 176.711 177.584 0.017 0.000 1.104 242 A CA -0.756 51.307 52.037 0.043 0.000 0.768 242 A CB 1.470 20.517 19.000 0.079 0.000 1.213 242 A HN 0.787 nan 8.150 nan 0.000 0.456 243 E N 2.006 122.206 120.200 0.000 0.000 2.133 243 E HA 0.558 4.919 4.350 0.020 0.000 0.274 243 E C -1.423 175.147 176.600 -0.049 0.000 0.930 243 E CA -0.401 55.953 56.400 -0.077 0.000 0.770 243 E CB 1.298 30.890 29.700 -0.181 0.000 1.104 243 E HN 0.409 nan 8.360 nan 0.000 0.403 244 V N 4.631 124.553 119.914 0.013 0.000 2.555 244 V HA 0.340 4.472 4.120 0.020 0.000 0.302 244 V C -0.320 175.868 176.094 0.156 0.000 1.038 244 V CA -0.751 61.610 62.300 0.103 0.000 0.887 244 V CB 1.709 33.578 31.823 0.075 0.000 0.991 244 V HN 0.741 nan 8.190 nan 0.000 0.434 245 Q N 3.759 123.635 119.800 0.128 0.000 2.353 245 Q HA 0.758 5.110 4.340 0.020 0.000 0.268 245 Q C -0.883 175.115 176.000 -0.002 0.000 1.045 245 Q CA -0.830 55.008 55.803 0.059 0.000 0.811 245 Q CB 2.638 31.375 28.738 -0.002 0.000 1.305 245 Q HN 0.839 nan 8.270 nan 0.000 0.447 246 M N -0.566 118.907 119.600 -0.211 0.000 2.716 246 M HA 0.732 5.224 4.480 0.020 0.000 0.307 246 M C -1.227 174.921 176.300 -0.254 0.000 1.223 246 M CA -0.586 54.535 55.300 -0.298 0.000 0.871 246 M CB 1.619 33.859 32.600 -0.601 0.000 1.739 246 M HN 0.481 nan 8.290 nan 0.000 0.475 247 C N 0.811 119.988 119.300 -0.205 0.000 2.707 247 C HA 1.007 5.479 4.460 0.020 0.000 0.313 247 C C 0.454 175.351 174.990 -0.154 0.000 1.209 247 C CA 0.788 59.714 59.018 -0.152 0.000 1.635 247 C CB 1.042 28.721 27.740 -0.102 0.000 2.206 247 C HN 1.479 nan 8.230 nan 0.000 0.485 248 G N 2.263 110.989 108.800 -0.124 0.000 2.631 248 G HA2 -0.062 3.910 3.960 0.020 0.000 0.504 248 G HA3 -0.062 3.910 3.960 0.020 0.000 0.504 248 G C -0.683 174.148 174.900 -0.116 0.000 1.306 248 G CA -0.477 44.559 45.100 -0.105 0.000 0.897 248 G HN 0.959 nan 8.290 nan 0.000 0.520 249 E N -0.079 120.068 120.200 -0.089 0.000 2.292 249 E HA 0.211 4.573 4.350 0.020 0.000 0.265 249 E C 0.422 176.944 176.600 -0.130 0.000 1.093 249 E CA -0.228 56.119 56.400 -0.089 0.000 0.922 249 E CB 0.154 29.823 29.700 -0.051 0.000 1.001 249 E HN 0.421 nan 8.360 nan 0.000 0.444 250 L N 6.012 127.145 121.223 -0.150 0.000 2.369 250 L HA 0.190 4.542 4.340 0.020 0.000 0.279 250 L C 0.064 176.817 176.870 -0.194 0.000 1.108 250 L CA 0.009 54.740 54.840 -0.181 0.000 0.852 250 L CB 0.193 42.159 42.059 -0.155 0.000 1.169 250 L HN 0.406 nan 8.230 nan 0.000 0.452 251 R N 2.829 123.144 120.500 -0.309 0.000 2.686 251 R HA 0.198 4.550 4.340 0.020 0.000 0.283 251 R C 0.235 176.288 176.300 -0.412 0.000 0.978 251 R CA -0.728 55.087 56.100 -0.475 0.000 0.897 251 R CB 1.561 31.259 30.300 -1.002 0.000 1.192 251 R HN 0.587 nan 8.270 nan 0.000 0.457 252 D N 1.565 121.833 120.400 -0.220 0.000 2.311 252 D HA -0.192 4.460 4.640 0.020 0.000 0.212 252 D C 1.225 177.519 176.300 -0.010 0.000 0.972 252 D CA 1.556 55.517 54.000 -0.066 0.000 0.887 252 D CB 0.033 40.841 40.800 0.014 0.000 0.915 252 D HN 0.640 nan 8.370 nan 0.000 0.497 253 Y N -0.040 120.279 120.300 0.032 0.000 2.523 253 Y HA 0.275 4.837 4.550 0.020 0.000 0.279 253 Y C 1.203 177.118 175.900 0.025 0.000 1.139 253 Y CA -0.559 57.559 58.100 0.031 0.000 1.296 253 Y CB -0.434 38.046 38.460 0.033 0.000 1.045 253 Y HN -0.199 nan 8.280 nan 0.000 0.538 254 L N 3.908 125.065 121.223 -0.110 0.000 2.477 254 L HA 0.217 4.568 4.340 0.020 0.000 0.272 254 L C 0.062 176.889 176.870 -0.071 0.000 1.157 254 L CA 0.415 55.224 54.840 -0.052 0.000 0.889 254 L CB 0.347 42.371 42.059 -0.058 0.000 1.158 254 L HN 0.330 nan 8.230 nan 0.000 0.473 255 R N 2.996 123.353 120.500 -0.238 0.000 2.867 255 R HA 0.755 5.107 4.340 0.020 0.000 0.268 255 R C -1.326 174.532 176.300 -0.737 0.000 1.014 255 R CA -0.879 54.945 56.100 -0.461 0.000 0.946 255 R CB 2.433 32.489 30.300 -0.407 0.000 1.208 255 R HN 0.252 nan 8.270 nan 0.000 0.477 256 V N 0.650 120.221 119.914 -0.571 0.000 2.735 256 V HA 0.519 4.651 4.120 0.020 0.000 0.310 256 V C -0.607 175.413 176.094 -0.123 0.000 1.061 256 V CA -0.610 61.459 62.300 -0.386 0.000 0.913 256 V CB 2.435 34.014 31.823 -0.407 0.000 1.005 256 V HN 0.811 nan 8.190 nan 0.000 0.428 257 T N 3.018 117.581 114.554 0.015 0.000 2.949 257 T HA 0.527 4.888 4.350 0.020 0.000 0.300 257 T C -0.851 173.865 174.700 0.026 0.000 0.988 257 T CA -0.403 61.743 62.100 0.076 0.000 0.993 257 T CB 1.644 70.618 68.868 0.178 0.000 0.984 257 T HN 0.320 nan 8.240 nan 0.000 0.442 258 V N 3.786 123.702 119.914 0.003 0.000 2.384 258 V HA 0.595 4.727 4.120 0.020 0.000 0.287 258 V C -0.238 175.872 176.094 0.027 0.000 1.020 258 V CA -0.510 61.795 62.300 0.007 0.000 0.850 258 V CB 1.704 33.520 31.823 -0.011 0.000 0.987 258 V HN 1.058 nan 8.190 nan 0.000 0.436 259 S N 6.228 121.973 115.700 0.076 0.000 2.503 259 S HA 0.766 5.248 4.470 0.020 0.000 0.301 259 S C -0.886 173.766 174.600 0.086 0.000 1.087 259 S CA -0.668 57.573 58.200 0.069 0.000 1.042 259 S CB 2.148 65.504 63.200 0.260 0.000 1.043 259 S HN 0.467 nan 8.310 nan 0.000 0.489 260 L N 2.621 123.780 121.223 -0.106 0.000 2.305 260 L HA 0.689 5.041 4.340 0.020 0.000 0.284 260 L C -1.962 174.771 176.870 -0.227 0.000 1.013 260 L CA -0.546 54.295 54.840 0.002 0.000 0.819 260 L CB 0.477 42.571 42.059 0.058 0.000 1.227 260 L HN 0.809 nan 8.230 nan 0.000 0.417 261 W N 3.772 125.167 121.300 0.158 0.000 2.632 261 W HA 0.580 5.251 4.660 0.020 0.000 0.328 261 W C -0.369 176.212 176.519 0.104 0.000 1.044 261 W CA -0.496 56.913 57.345 0.107 0.000 1.225 261 W CB 1.531 31.013 29.460 0.038 0.000 1.396 261 W HN 0.384 nan 8.180 nan 0.000 0.499 262 Q N 2.509 122.436 119.800 0.212 0.000 2.560 262 Q HA 0.478 4.830 4.340 0.020 0.000 0.238 262 Q C 0.685 176.741 176.000 0.095 0.000 1.079 262 Q CA 0.578 56.391 55.803 0.017 0.000 0.866 262 Q CB 0.512 29.188 28.738 -0.103 0.000 1.153 262 Q HN 0.729 nan 8.270 nan 0.000 0.530 263 G N 2.920 111.788 108.800 0.113 0.000 2.889 263 G HA2 -0.337 3.635 3.960 0.020 0.000 0.308 263 G HA3 -0.337 3.635 3.960 0.020 0.000 0.308 263 G C 0.501 175.510 174.900 0.182 0.000 1.248 263 G CA 0.439 45.600 45.100 0.101 0.000 0.982 263 G HN 0.549 nan 8.290 nan 0.000 0.571 264 E N 0.812 121.133 120.200 0.202 0.000 2.583 264 E HA 0.235 4.597 4.350 0.020 0.000 0.213 264 E C -0.138 176.734 176.600 0.453 0.000 0.989 264 E CA 0.224 56.773 56.400 0.249 0.000 0.991 264 E CB 1.082 30.844 29.700 0.103 0.000 1.040 264 E HN 0.307 nan 8.360 nan 0.000 0.481 265 T N 1.918 116.694 114.554 0.370 0.000 2.749 265 T HA 0.121 4.482 4.350 0.020 0.000 0.287 265 T C -0.210 174.425 174.700 -0.108 0.000 0.970 265 T CA -0.325 61.872 62.100 0.161 0.000 0.980 265 T CB 1.584 70.488 68.868 0.059 0.000 0.924 265 T HN 0.067 nan 8.240 nan 0.000 0.456 266 Q N 3.439 122.851 119.800 -0.646 0.000 2.304 266 Q HA 0.262 4.614 4.340 0.020 0.000 0.260 266 Q C -0.052 175.595 176.000 -0.589 0.000 0.965 266 Q CA -0.368 54.593 55.803 -1.403 0.000 0.898 266 Q CB 0.795 28.647 28.738 -1.477 0.000 1.196 266 Q HN 0.488 nan 8.270 nan 0.000 0.402 267 V N 2.637 122.264 119.914 -0.478 0.000 3.085 267 V HA 0.391 4.523 4.120 0.020 0.000 0.245 267 V C 0.338 176.317 176.094 -0.192 0.000 1.114 267 V CA 0.919 63.097 62.300 -0.203 0.000 1.108 267 V CB 0.334 32.143 31.823 -0.024 0.000 0.798 267 V HN 0.842 nan 8.190 nan 0.000 0.471 268 A N -1.073 121.600 122.820 -0.245 0.000 2.586 268 A HA 0.768 5.100 4.320 0.020 0.000 0.291 268 A C -0.930 176.549 177.584 -0.176 0.000 1.062 268 A CA -0.082 51.853 52.037 -0.169 0.000 0.666 268 A CB 1.741 20.678 19.000 -0.104 0.000 1.281 268 A HN 0.018 nan 8.150 nan 0.000 0.421 269 S N -1.008 114.624 115.700 -0.112 0.000 2.536 269 S HA 0.761 5.243 4.470 0.020 0.000 0.271 269 S C -0.441 174.134 174.600 -0.042 0.000 1.134 269 S CA 0.210 58.366 58.200 -0.073 0.000 0.897 269 S CB 1.632 64.790 63.200 -0.069 0.000 1.094 269 S HN 2.120 nan 8.310 nan 0.000 0.473 270 G N 1.805 110.591 108.800 -0.023 0.000 2.617 270 G HA2 0.642 4.614 3.960 0.020 0.000 0.306 270 G HA3 0.642 4.614 3.960 0.020 0.000 0.306 270 G C -1.288 173.603 174.900 -0.015 0.000 1.360 270 G CA -0.431 44.655 45.100 -0.024 0.000 0.983 270 G HN 0.639 nan 8.290 nan 0.000 0.496 271 T N 0.245 114.788 114.554 -0.018 0.000 2.928 271 T HA 0.792 5.154 4.350 0.020 0.000 0.296 271 T C -0.157 174.512 174.700 -0.051 0.000 1.000 271 T CA 0.026 62.120 62.100 -0.010 0.000 0.989 271 T CB 1.624 70.518 68.868 0.042 0.000 1.005 271 T HN 1.290 nan 8.240 nan 0.000 0.442 272 A N 4.405 127.158 122.820 -0.111 0.000 2.568 272 A HA 1.027 5.359 4.320 0.020 0.000 0.291 272 A C -3.151 174.278 177.584 -0.258 0.000 1.159 272 A CA -1.546 50.400 52.037 -0.152 0.000 0.679 272 A CB 1.448 20.353 19.000 -0.159 0.000 1.285 272 A HN 0.531 nan 8.150 nan 0.000 0.428 273 P HA 0.670 nan 4.420 nan 0.000 0.292 273 P C -0.990 176.108 177.300 -0.337 0.000 1.313 273 P CA -0.648 62.289 63.100 -0.272 0.000 0.965 273 P CB 0.754 32.392 31.700 -0.103 0.000 1.303 274 F N 0.205 120.114 119.950 -0.069 0.000 2.490 274 F HA 0.478 5.016 4.527 0.019 0.000 0.336 274 F C 1.509 177.292 175.800 -0.027 0.000 1.178 274 F CA 1.550 59.520 58.000 -0.051 0.000 1.301 274 F CB 0.144 39.108 39.000 -0.060 0.000 1.175 274 F HN 0.572 nan 8.300 nan 0.000 0.593 275 G N 1.323 110.264 108.800 0.236 0.000 2.951 275 G HA2 0.351 4.322 3.960 0.020 0.000 0.508 275 G HA3 0.351 4.322 3.960 0.020 0.000 0.508 275 G C -0.511 174.454 174.900 0.109 0.000 1.203 275 G CA -0.767 44.414 45.100 0.134 0.000 1.209 275 G HN 1.027 nan 8.290 nan 0.000 0.552 276 G N 0.724 109.610 108.800 0.144 0.000 2.562 276 G HA2 0.706 4.678 3.960 0.020 0.000 0.275 276 G HA3 0.706 4.678 3.960 0.020 0.000 0.275 276 G C 0.352 175.307 174.900 0.091 0.000 1.196 276 G CA 0.134 45.317 45.100 0.138 0.000 0.908 276 G HN 1.149 nan 8.290 nan 0.000 0.524 277 E N -0.813 119.434 120.200 0.079 0.000 2.314 277 E HA 0.416 4.778 4.350 0.020 0.000 0.262 277 E C -0.473 176.160 176.600 0.055 0.000 1.093 277 E CA -0.874 55.558 56.400 0.052 0.000 0.908 277 E CB 0.755 30.477 29.700 0.037 0.000 1.091 277 E HN 0.220 nan 8.360 nan 0.000 0.425 278 I N 2.001 122.590 120.570 0.031 0.000 2.664 278 I HA -0.073 4.108 4.170 0.020 0.000 0.284 278 I C 0.415 176.548 176.117 0.028 0.000 1.154 278 I CA 0.501 61.812 61.300 0.019 0.000 1.402 278 I CB 0.018 38.022 38.000 0.007 0.000 1.395 278 I HN 0.595 nan 8.210 nan 0.000 0.545 279 I N 4.683 125.269 120.570 0.025 0.000 3.265 279 I HA 0.083 4.265 4.170 0.020 0.000 0.282 279 I C 0.581 176.708 176.117 0.016 0.000 1.207 279 I CA 0.822 62.147 61.300 0.041 0.000 1.449 279 I CB -0.569 37.480 38.000 0.082 0.000 1.121 279 I HN 0.872 nan 8.210 nan 0.000 0.442 280 D N -2.884 117.511 120.400 -0.008 0.000 3.435 280 D HA 0.071 4.723 4.640 0.020 0.000 0.352 280 D C 0.665 176.954 176.300 -0.019 0.000 1.460 280 D CA -0.414 53.580 54.000 -0.010 0.000 0.935 280 D CB 0.229 41.022 40.800 -0.011 0.000 1.468 280 D HN -0.240 nan 8.370 nan 0.000 0.573 281 E N -0.620 119.569 120.200 -0.019 0.000 2.077 281 E HA -0.010 4.352 4.350 0.020 0.000 0.193 281 E C 1.819 178.401 176.600 -0.030 0.000 0.989 281 E CA 1.118 57.506 56.400 -0.020 0.000 0.800 281 E CB -0.050 29.641 29.700 -0.015 0.000 0.746 281 E HN 0.243 nan 8.360 nan 0.000 0.452 282 R N -0.128 120.346 120.500 -0.043 0.000 2.235 282 R HA 0.139 4.491 4.340 0.020 0.000 0.213 282 R C 1.079 177.338 176.300 -0.068 0.000 1.059 282 R CA 0.984 57.050 56.100 -0.056 0.000 0.997 282 R CB 0.088 30.350 30.300 -0.064 0.000 0.884 282 R HN 0.261 nan 8.270 nan 0.000 0.462 283 G N -1.076 107.682 108.800 -0.071 0.000 2.225 283 G HA2 0.016 3.988 3.960 0.020 0.000 0.203 283 G HA3 0.016 3.988 3.960 0.020 0.000 0.203 283 G C -0.422 174.425 174.900 -0.088 0.000 1.335 283 G CA -0.551 44.509 45.100 -0.067 0.000 1.183 283 G HN 0.465 nan 8.290 nan 0.000 0.488 284 G N -1.710 107.036 108.800 -0.090 0.000 3.211 284 G HA2 0.632 4.604 3.960 0.020 0.000 0.262 284 G HA3 0.632 4.604 3.960 0.020 0.000 0.262 284 G C -1.662 173.129 174.900 -0.182 0.000 1.352 284 G CA -0.778 44.279 45.100 -0.073 0.000 1.004 284 G HN 0.680 nan 8.290 nan 0.000 0.559 285 Y N 0.610 120.923 120.300 0.022 0.000 2.404 285 Y HA 0.464 5.025 4.550 0.019 0.000 0.344 285 Y C 1.290 177.210 175.900 0.033 0.000 0.970 285 Y CA -0.005 58.108 58.100 0.022 0.000 1.180 285 Y CB 1.963 40.441 38.460 0.031 0.000 1.138 285 Y HN 0.530 nan 8.280 nan 0.000 0.510 286 A N 1.659 124.552 122.820 0.121 0.000 2.067 286 A HA -0.105 4.227 4.320 0.020 0.000 0.217 286 A C 1.324 178.962 177.584 0.090 0.000 1.156 286 A CA 1.187 53.282 52.037 0.097 0.000 0.683 286 A CB -0.215 18.803 19.000 0.030 0.000 0.808 286 A HN 0.791 nan 8.150 nan 0.000 0.455 287 D N -0.695 119.719 120.400 0.024 0.000 2.370 287 D HA 0.146 4.798 4.640 0.020 0.000 0.230 287 D C 0.505 176.738 176.300 -0.112 0.000 1.143 287 D CA 0.063 53.929 54.000 -0.223 0.000 0.834 287 D CB -0.045 40.658 40.800 -0.162 0.000 0.944 287 D HN 0.330 nan 8.370 nan 0.000 0.504 288 R N -0.847 119.797 120.500 0.241 0.000 2.836 288 R HA 0.732 5.084 4.340 0.020 0.000 0.269 288 R C -1.770 174.769 176.300 0.399 0.000 1.010 288 R CA -1.080 55.206 56.100 0.310 0.000 0.930 288 R CB 3.079 33.428 30.300 0.081 0.000 1.218 288 R HN -0.027 nan 8.270 nan 0.000 0.473 289 V N 0.683 120.724 119.914 0.211 0.000 2.950 289 V HA 0.403 4.535 4.120 0.020 0.000 0.295 289 V C -1.669 174.411 176.094 -0.023 0.000 1.297 289 V CA -0.288 62.021 62.300 0.015 0.000 0.962 289 V CB 2.616 34.292 31.823 -0.245 0.000 1.081 289 V HN 0.806 nan 8.190 nan 0.000 0.432 290 T N 7.662 122.197 114.554 -0.031 0.000 2.815 290 T HA 0.598 4.960 4.350 0.020 0.000 0.289 290 T C -0.743 173.933 174.700 -0.039 0.000 1.000 290 T CA -0.392 61.690 62.100 -0.029 0.000 0.958 290 T CB 0.878 69.738 68.868 -0.013 0.000 0.944 290 T HN 0.464 nan 8.240 nan 0.000 0.442 291 L N 3.536 124.735 121.223 -0.040 0.000 2.331 291 L HA 0.616 4.968 4.340 0.020 0.000 0.275 291 L C 0.399 177.252 176.870 -0.028 0.000 1.022 291 L CA -0.830 53.986 54.840 -0.041 0.000 0.812 291 L CB 1.419 43.450 42.059 -0.046 0.000 1.257 291 L HN 0.508 nan 8.230 nan 0.000 0.435 292 R N 4.009 124.491 120.500 -0.030 0.000 2.358 292 R HA 0.524 4.876 4.340 0.020 0.000 0.309 292 R C -1.056 175.226 176.300 -0.029 0.000 1.026 292 R CA -0.643 55.439 56.100 -0.029 0.000 0.909 292 R CB 1.572 31.854 30.300 -0.030 0.000 1.153 292 R HN 0.514 nan 8.270 nan 0.000 0.515 293 L N 3.739 124.947 121.223 -0.024 0.000 2.264 293 L HA 0.347 4.699 4.340 0.020 0.000 0.289 293 L C 0.144 176.997 176.870 -0.029 0.000 1.044 293 L CA -0.670 54.154 54.840 -0.026 0.000 0.807 293 L CB 0.802 42.852 42.059 -0.016 0.000 1.192 293 L HN 0.451 nan 8.230 nan 0.000 0.425 294 N N 3.404 122.078 118.700 -0.043 0.000 2.479 294 N HA 0.387 5.139 4.740 0.020 0.000 0.285 294 N C -0.825 174.637 175.510 -0.079 0.000 1.075 294 N CA -0.476 52.542 53.050 -0.053 0.000 0.967 294 N CB 2.788 41.246 38.487 -0.047 0.000 1.137 294 N HN 0.205 nan 8.380 nan 0.000 0.472 295 V N 1.750 121.595 119.914 -0.115 0.000 2.487 295 V HA 0.159 4.291 4.120 0.020 0.000 0.298 295 V C 0.050 176.053 176.094 -0.152 0.000 1.028 295 V CA -0.778 61.408 62.300 -0.190 0.000 0.860 295 V CB 1.855 33.431 31.823 -0.411 0.000 0.991 295 V HN 0.544 nan 8.190 nan 0.000 0.427 296 E N 3.003 123.140 120.200 -0.105 0.000 2.343 296 E HA 0.221 4.583 4.350 0.020 0.000 0.269 296 E C 0.251 176.817 176.600 -0.058 0.000 1.047 296 E CA -0.311 56.053 56.400 -0.060 0.000 0.874 296 E CB 0.458 30.136 29.700 -0.036 0.000 1.033 296 E HN 0.821 nan 8.360 nan 0.000 0.409 297 N N 1.494 120.184 118.700 -0.016 0.000 2.777 297 N HA -0.178 4.574 4.740 0.020 0.000 0.301 297 N C -2.484 173.018 175.510 -0.013 0.000 1.107 297 N CA 0.009 53.066 53.050 0.011 0.000 0.790 297 N CB -0.972 37.532 38.487 0.027 0.000 0.980 297 N HN 0.153 nan 8.380 nan 0.000 0.584 298 P HA 0.117 nan 4.420 nan 0.000 0.277 298 P C -0.323 177.008 177.300 0.051 0.000 1.240 298 P CA -0.178 62.810 63.100 -0.188 0.000 0.798 298 P CB 0.847 32.307 31.700 -0.402 0.000 0.979 299 K N 2.127 122.680 120.400 0.256 0.000 2.285 299 K HA 0.325 4.657 4.320 0.020 0.000 0.286 299 K C -0.051 176.754 176.600 0.342 0.000 1.072 299 K CA -0.413 56.039 56.287 0.275 0.000 0.913 299 K CB 0.280 32.900 32.500 0.199 0.000 1.067 299 K HN 0.408 nan 8.250 nan 0.000 0.479 300 L N 3.214 124.536 121.223 0.165 0.000 2.331 300 L HA 0.231 4.582 4.340 0.020 0.000 0.278 300 L C 0.005 176.935 176.870 0.100 0.000 1.106 300 L CA -0.714 54.212 54.840 0.144 0.000 0.824 300 L CB 0.353 42.360 42.059 -0.087 0.000 1.142 300 L HN 0.605 nan 8.230 nan 0.000 0.443 301 W N 4.737 126.076 121.300 0.066 0.000 2.272 301 W HA 0.405 5.076 4.660 0.019 0.000 0.318 301 W C 0.201 176.647 176.519 -0.122 0.000 1.255 301 W CA 0.246 57.599 57.345 0.013 0.000 1.200 301 W CB 1.092 30.609 29.460 0.096 0.000 1.170 301 W HN 0.630 nan 8.180 nan 0.000 0.549 302 S N 3.095 118.087 115.700 -1.180 0.000 2.615 302 S HA 0.607 5.089 4.470 0.020 0.000 0.269 302 S C 0.053 173.694 174.600 -1.598 0.000 1.161 302 S CA -0.394 57.130 58.200 -1.127 0.000 0.817 302 S CB 1.089 63.815 63.200 -0.789 0.000 1.131 302 S HN 1.041 nan 8.310 nan 0.000 0.467 303 A N 0.166 122.344 122.820 -1.071 0.000 2.121 303 A HA 0.119 4.451 4.320 0.020 0.000 0.218 303 A C 1.695 178.954 177.584 -0.542 0.000 1.154 303 A CA 1.413 52.882 52.037 -0.947 0.000 0.679 303 A CB -0.791 17.450 19.000 -1.266 0.000 0.795 303 A HN 0.861 nan 8.150 nan 0.000 0.458 304 E N -1.198 118.781 120.200 -0.368 0.000 2.250 304 E HA 0.239 4.601 4.350 0.020 0.000 0.192 304 E C -0.553 175.911 176.600 -0.228 0.000 0.986 304 E CA 0.474 56.761 56.400 -0.188 0.000 0.849 304 E CB 0.256 29.994 29.700 0.064 0.000 0.797 304 E HN 0.574 nan 8.360 nan 0.000 0.482 305 I N 0.875 121.238 120.570 -0.343 0.000 2.606 305 I HA 0.121 4.303 4.170 0.020 0.000 0.275 305 I C -2.703 173.131 176.117 -0.471 0.000 1.220 305 I CA -1.455 59.671 61.300 -0.289 0.000 1.098 305 I CB 2.282 40.160 38.000 -0.203 0.000 1.321 305 I HN -0.221 nan 8.210 nan 0.000 0.468 306 P HA 0.153 nan 4.420 nan 0.000 0.214 306 P C -0.535 176.697 177.300 -0.113 0.000 1.826 306 P CA -0.364 62.333 63.100 -0.673 0.000 0.977 306 P CB -0.229 31.280 31.700 -0.318 0.000 1.930 307 N N 1.824 120.482 118.700 -0.070 0.000 2.359 307 N HA -0.009 4.743 4.740 0.020 0.000 0.261 307 N C -0.105 175.625 175.510 0.367 0.000 1.267 307 N CA 0.760 53.878 53.050 0.113 0.000 0.864 307 N CB 0.450 39.012 38.487 0.126 0.000 1.063 307 N HN 0.315 nan 8.380 nan 0.000 0.474 308 L N 4.039 125.408 121.223 0.242 0.000 2.492 308 L HA 0.271 4.623 4.340 0.020 0.000 0.258 308 L C -0.523 176.475 176.870 0.213 0.000 1.028 308 L CA -0.749 54.279 54.840 0.312 0.000 0.900 308 L CB 0.413 42.623 42.059 0.252 0.000 1.191 308 L HN 0.385 nan 8.230 nan 0.000 0.459 309 Y N 1.353 121.809 120.300 0.261 0.000 2.394 309 Y HA 0.247 4.809 4.550 0.021 0.000 0.351 309 Y C 0.704 176.721 175.900 0.195 0.000 1.272 309 Y CA -0.250 57.994 58.100 0.241 0.000 1.508 309 Y CB 0.311 38.966 38.460 0.325 0.000 1.369 309 Y HN 0.455 nan 8.280 nan 0.000 0.639 310 R N 0.689 121.407 120.500 0.364 0.000 2.513 310 R HA 0.754 5.106 4.340 0.020 0.000 0.301 310 R C -1.707 174.777 176.300 0.306 0.000 0.968 310 R CA -0.472 55.785 56.100 0.263 0.000 0.872 310 R CB 1.088 31.500 30.300 0.187 0.000 1.177 310 R HN 0.761 nan 8.270 nan 0.000 0.444 311 A N 3.828 126.779 122.820 0.218 0.000 2.292 311 A HA 0.637 4.969 4.320 0.020 0.000 0.319 311 A C -1.008 176.646 177.584 0.117 0.000 1.206 311 A CA -0.648 51.504 52.037 0.191 0.000 0.835 311 A CB 1.313 20.404 19.000 0.151 0.000 1.164 311 A HN 0.478 nan 8.150 nan 0.000 0.505 312 V N 3.342 123.331 119.914 0.124 0.000 2.444 312 V HA 0.421 4.552 4.120 0.020 0.000 0.294 312 V C -0.321 175.762 176.094 -0.017 0.000 1.022 312 V CA -0.579 61.733 62.300 0.021 0.000 0.850 312 V CB 1.457 33.281 31.823 0.000 0.000 0.992 312 V HN 0.626 nan 8.190 nan 0.000 0.426 313 V N 4.752 124.589 119.914 -0.128 0.000 2.398 313 V HA 0.565 4.697 4.120 0.020 0.000 0.286 313 V C -0.376 175.659 176.094 -0.100 0.000 1.026 313 V CA -0.553 61.644 62.300 -0.172 0.000 0.868 313 V CB 1.544 33.118 31.823 -0.416 0.000 0.982 313 V HN 1.049 nan 8.190 nan 0.000 0.443 314 E N 4.276 124.465 120.200 -0.020 0.000 2.246 314 E HA 0.552 4.913 4.350 0.020 0.000 0.266 314 E C -1.089 175.556 176.600 0.076 0.000 0.880 314 E CA -0.787 55.649 56.400 0.060 0.000 0.762 314 E CB 2.379 32.157 29.700 0.131 0.000 1.180 314 E HN 0.470 nan 8.360 nan 0.000 0.416 315 L N 4.512 125.751 121.223 0.025 0.000 2.278 315 L HA 0.471 4.823 4.340 0.020 0.000 0.287 315 L C -1.048 175.855 176.870 0.056 0.000 1.072 315 L CA 0.401 55.226 54.840 -0.024 0.000 0.819 315 L CB -0.498 41.559 42.059 -0.003 0.000 1.176 315 L HN 0.781 nan 8.230 nan 0.000 0.435 316 H N 0.300 119.396 119.070 0.043 0.000 2.917 316 H HA 0.647 5.215 4.556 0.020 0.000 0.299 316 H C -0.843 174.540 175.328 0.092 0.000 1.418 316 H CA -0.543 55.539 56.048 0.058 0.000 1.138 316 H CB 0.279 30.060 29.762 0.032 0.000 1.830 316 H HN 0.452 nan 8.280 nan 0.000 0.514 317 T N -1.907 112.868 114.554 0.369 0.000 2.902 317 T HA 0.547 4.909 4.350 0.020 0.000 0.280 317 T C 1.524 176.452 174.700 0.380 0.000 0.992 317 T CA -0.393 61.915 62.100 0.347 0.000 1.015 317 T CB 1.374 70.409 68.868 0.278 0.000 1.044 317 T HN 0.992 nan 8.240 nan 0.000 0.520 318 A N 0.677 123.657 122.820 0.266 0.000 2.076 318 A HA -0.118 4.213 4.320 0.020 0.000 0.220 318 A C 1.992 179.651 177.584 0.125 0.000 1.160 318 A CA 1.744 53.893 52.037 0.187 0.000 0.653 318 A CB -0.924 18.169 19.000 0.154 0.000 0.801 318 A HN 1.004 nan 8.150 nan 0.000 0.455 319 D N -2.187 118.275 120.400 0.102 0.000 2.349 319 D HA 0.207 4.859 4.640 0.020 0.000 0.215 319 D C 1.213 177.525 176.300 0.019 0.000 1.016 319 D CA 1.188 55.211 54.000 0.037 0.000 0.870 319 D CB -0.093 40.705 40.800 -0.004 0.000 0.917 319 D HN 0.654 nan 8.370 nan 0.000 0.524 320 G N 0.232 109.048 108.800 0.027 0.000 2.213 320 G HA2 -0.244 3.728 3.960 0.020 0.000 0.236 320 G HA3 -0.244 3.728 3.960 0.020 0.000 0.236 320 G C 0.463 175.344 174.900 -0.031 0.000 0.991 320 G CA 0.254 45.320 45.100 -0.058 0.000 0.629 320 G HN 0.403 nan 8.290 nan 0.000 0.517 321 T N 1.761 116.336 114.554 0.035 0.000 2.817 321 T HA 0.388 4.750 4.350 0.020 0.000 0.295 321 T C 0.289 175.049 174.700 0.100 0.000 0.958 321 T CA 0.208 62.337 62.100 0.049 0.000 1.157 321 T CB 1.192 70.087 68.868 0.045 0.000 0.898 321 T HN 0.577 nan 8.240 nan 0.000 0.536 322 L N 6.182 127.445 121.223 0.067 0.000 2.342 322 L HA 0.317 4.669 4.340 0.020 0.000 0.285 322 L C 0.964 177.892 176.870 0.096 0.000 1.095 322 L CA 0.135 55.033 54.840 0.098 0.000 0.843 322 L CB -0.058 42.032 42.059 0.053 0.000 1.201 322 L HN 0.619 nan 8.230 nan 0.000 0.445 323 I N 3.321 123.963 120.570 0.120 0.000 2.142 323 I HA -0.133 4.049 4.170 0.020 0.000 0.240 323 I C 0.675 176.816 176.117 0.040 0.000 1.078 323 I CA 1.502 62.845 61.300 0.072 0.000 1.343 323 I CB -0.151 37.885 38.000 0.061 0.000 1.046 323 I HN 0.864 nan 8.210 nan 0.000 0.405 324 E N -1.283 118.941 120.200 0.040 0.000 2.382 324 E HA 0.662 5.024 4.350 0.020 0.000 0.280 324 E C -1.521 175.096 176.600 0.028 0.000 1.161 324 E CA -0.846 55.568 56.400 0.024 0.000 0.905 324 E CB 0.684 30.363 29.700 -0.035 0.000 1.268 324 E HN -0.003 nan 8.360 nan 0.000 0.426 325 A N 1.198 124.058 122.820 0.068 0.000 2.539 325 A HA 0.775 5.107 4.320 0.020 0.000 0.296 325 A C -1.235 176.457 177.584 0.181 0.000 1.073 325 A CA -0.721 51.361 52.037 0.075 0.000 0.700 325 A CB 1.718 20.757 19.000 0.065 0.000 1.296 325 A HN 0.538 nan 8.150 nan 0.000 0.405 326 E N -0.355 119.888 120.200 0.071 0.000 2.416 326 E HA 0.783 5.144 4.350 0.020 0.000 0.273 326 E C -0.638 175.978 176.600 0.027 0.000 0.935 326 E CA -0.793 55.700 56.400 0.154 0.000 0.784 326 E CB 2.480 32.217 29.700 0.061 0.000 1.301 326 E HN 1.256 nan 8.360 nan 0.000 0.454 327 A N 0.074 123.019 122.820 0.209 0.000 2.586 327 A HA 0.798 5.130 4.320 0.020 0.000 0.290 327 A C -1.142 176.620 177.584 0.297 0.000 1.086 327 A CA -0.376 51.736 52.037 0.124 0.000 0.665 327 A CB 1.071 20.037 19.000 -0.057 0.000 1.279 327 A HN 0.975 nan 8.150 nan 0.000 0.423 328 C N -0.862 118.570 119.300 0.219 0.000 3.306 328 C HA 0.801 5.273 4.460 0.020 0.000 0.335 328 C C -1.782 173.283 174.990 0.124 0.000 1.382 328 C CA -0.918 58.217 59.018 0.195 0.000 1.254 328 C CB 1.074 28.951 27.740 0.227 0.000 1.555 328 C HN 0.814 nan 8.230 nan 0.000 0.463 329 D N 1.193 121.636 120.400 0.071 0.000 2.177 329 D HA 0.571 5.223 4.640 0.020 0.000 0.247 329 D C -0.474 175.849 176.300 0.039 0.000 1.063 329 D CA 0.057 54.105 54.000 0.079 0.000 0.867 329 D CB 2.071 42.924 40.800 0.088 0.000 1.168 329 D HN 0.559 nan 8.370 nan 0.000 0.445 330 V N 1.112 121.086 119.914 0.100 0.000 2.459 330 V HA 0.641 4.773 4.120 0.020 0.000 0.295 330 V C 0.693 176.853 176.094 0.109 0.000 1.029 330 V CA -0.841 61.477 62.300 0.031 0.000 0.874 330 V CB 1.854 33.719 31.823 0.069 0.000 0.985 330 V HN 0.618 nan 8.190 nan 0.000 0.438 331 G N 3.163 111.915 108.800 -0.079 0.000 2.437 331 G HA2 0.609 4.581 3.960 0.020 0.000 0.315 331 G HA3 0.609 4.581 3.960 0.020 0.000 0.315 331 G C -1.015 173.906 174.900 0.035 0.000 1.210 331 G CA -0.364 44.749 45.100 0.022 0.000 0.943 331 G HN 0.433 nan 8.290 nan 0.000 0.471 332 F N 3.672 123.823 119.950 0.335 0.000 2.434 332 F HA 0.470 5.009 4.527 0.019 0.000 0.358 332 F C 1.086 177.145 175.800 0.431 0.000 1.136 332 F CA -0.237 58.004 58.000 0.402 0.000 1.157 332 F CB 0.792 40.035 39.000 0.405 0.000 1.167 332 F HN 0.453 nan 8.300 nan 0.000 0.539 333 R N 3.325 124.179 120.500 0.589 0.000 2.663 333 R HA 0.432 4.784 4.340 0.020 0.000 0.267 333 R C -1.910 174.626 176.300 0.394 0.000 1.038 333 R CA -0.758 55.541 56.100 0.333 0.000 0.886 333 R CB 2.015 32.501 30.300 0.310 0.000 1.249 333 R HN 0.602 nan 8.270 nan 0.000 0.463 334 E N 2.671 122.981 120.200 0.183 0.000 2.224 334 E HA 0.391 4.753 4.350 0.020 0.000 0.265 334 E C -1.476 175.221 176.600 0.163 0.000 0.878 334 E CA -0.795 55.779 56.400 0.289 0.000 0.759 334 E CB 2.276 32.214 29.700 0.396 0.000 1.164 334 E HN 0.385 nan 8.360 nan 0.000 0.414 335 V N 5.934 125.926 119.914 0.130 0.000 2.357 335 V HA 0.524 4.656 4.120 0.020 0.000 0.284 335 V C -0.167 175.965 176.094 0.064 0.000 1.018 335 V CA -0.529 61.810 62.300 0.065 0.000 0.841 335 V CB 1.194 33.025 31.823 0.013 0.000 0.991 335 V HN 0.677 nan 8.190 nan 0.000 0.437 336 R N 5.166 125.700 120.500 0.057 0.000 2.604 336 R HA 0.597 4.949 4.340 0.020 0.000 0.270 336 R C -1.973 174.348 176.300 0.036 0.000 1.052 336 R CA -0.843 55.289 56.100 0.054 0.000 0.902 336 R CB 1.809 32.155 30.300 0.077 0.000 1.233 336 R HN 0.555 nan 8.270 nan 0.000 0.455 337 I N 2.531 123.120 120.570 0.032 0.000 2.312 337 I HA 0.243 4.425 4.170 0.020 0.000 0.291 337 I C -0.393 175.742 176.117 0.030 0.000 1.031 337 I CA -0.145 61.169 61.300 0.025 0.000 1.293 337 I CB 1.414 39.430 38.000 0.027 0.000 1.403 337 I HN 0.720 nan 8.210 nan 0.000 0.484 338 E N 6.502 126.717 120.200 0.025 0.000 2.287 338 E HA 0.236 4.597 4.350 0.020 0.000 0.274 338 E C -0.316 176.295 176.600 0.017 0.000 0.896 338 E CA -0.520 55.895 56.400 0.026 0.000 0.788 338 E CB 0.897 30.617 29.700 0.033 0.000 1.244 338 E HN 0.528 nan 8.360 nan 0.000 0.408 339 N N 3.443 122.153 118.700 0.017 0.000 2.780 339 N HA -0.198 4.553 4.740 0.020 0.000 0.248 339 N C 0.470 175.984 175.510 0.007 0.000 1.102 339 N CA 2.114 55.171 53.050 0.011 0.000 0.697 339 N CB -1.177 37.315 38.487 0.007 0.000 1.028 339 N HN 1.058 nan 8.380 nan 0.000 0.554 340 G N -2.199 106.606 108.800 0.009 0.000 2.176 340 G HA2 -0.263 3.709 3.960 0.020 0.000 0.253 340 G HA3 -0.263 3.709 3.960 0.020 0.000 0.253 340 G C -0.118 174.779 174.900 -0.005 0.000 0.979 340 G CA 0.457 45.560 45.100 0.005 0.000 0.641 340 G HN 0.450 nan 8.290 nan 0.000 0.530 341 L N -0.009 121.211 121.223 -0.006 0.000 2.370 341 L HA 0.690 5.041 4.340 0.020 0.000 0.266 341 L C -0.121 176.740 176.870 -0.015 0.000 1.002 341 L CA -1.378 53.450 54.840 -0.018 0.000 0.818 341 L CB 1.804 43.849 42.059 -0.023 0.000 1.325 341 L HN 0.028 nan 8.230 nan 0.000 0.418 342 L N 3.297 124.501 121.223 -0.033 0.000 2.319 342 L HA 0.413 4.765 4.340 0.020 0.000 0.280 342 L C -0.585 176.263 176.870 -0.037 0.000 1.099 342 L CA 0.366 55.184 54.840 -0.036 0.000 0.828 342 L CB 0.624 42.645 42.059 -0.064 0.000 1.150 342 L HN 0.364 nan 8.230 nan 0.000 0.442 343 L N 5.683 126.898 121.223 -0.013 0.000 2.346 343 L HA 0.503 4.855 4.340 0.020 0.000 0.276 343 L C -0.960 175.919 176.870 0.015 0.000 1.006 343 L CA -0.833 54.010 54.840 0.004 0.000 0.817 343 L CB 1.979 44.065 42.059 0.044 0.000 1.272 343 L HN 0.432 nan 8.230 nan 0.000 0.421 344 L N 4.181 125.423 121.223 0.033 0.000 2.305 344 L HA 0.497 4.849 4.340 0.020 0.000 0.284 344 L C 0.153 177.126 176.870 0.171 0.000 1.013 344 L CA 0.110 55.004 54.840 0.091 0.000 0.819 344 L CB 0.894 43.012 42.059 0.098 0.000 1.227 344 L HN 0.561 nan 8.230 nan 0.000 0.417 345 N N 4.278 123.002 118.700 0.040 0.000 2.710 345 N HA -0.227 4.525 4.740 0.020 0.000 0.249 345 N C 1.007 176.386 175.510 -0.218 0.000 1.059 345 N CA 1.416 54.326 53.050 -0.234 0.000 0.720 345 N CB -1.116 37.179 38.487 -0.320 0.000 0.983 345 N HN 1.198 nan 8.380 nan 0.000 0.544 346 G N -2.598 106.236 108.800 0.058 0.000 2.253 346 G HA2 -0.356 3.616 3.960 0.020 0.000 0.251 346 G HA3 -0.356 3.616 3.960 0.020 0.000 0.251 346 G C 0.139 175.061 174.900 0.037 0.000 0.998 346 G CA 0.874 46.051 45.100 0.129 0.000 0.621 346 G HN 0.398 nan 8.290 nan 0.000 0.524 347 K N 1.241 121.626 120.400 -0.025 0.000 2.118 347 K HA 0.628 4.960 4.320 0.020 0.000 0.254 347 K C -2.541 174.005 176.600 -0.090 0.000 0.961 347 K CA -2.757 53.456 56.287 -0.124 0.000 0.876 347 K CB 1.498 33.783 32.500 -0.358 0.000 1.077 347 K HN 0.116 nan 8.250 nan 0.000 0.440 348 P HA 0.234 nan 4.420 nan 0.000 0.291 348 P C -0.287 176.945 177.300 -0.112 0.000 1.340 348 P CA -0.364 62.683 63.100 -0.089 0.000 0.799 348 P CB 0.623 32.276 31.700 -0.078 0.000 0.917 349 L N 3.852 125.009 121.223 -0.109 0.000 2.467 349 L HA 0.190 4.542 4.340 0.020 0.000 0.270 349 L C 0.541 177.332 176.870 -0.132 0.000 1.205 349 L CA -0.361 54.406 54.840 -0.121 0.000 0.828 349 L CB 0.375 42.329 42.059 -0.175 0.000 1.101 349 L HN 0.256 nan 8.230 nan 0.000 0.479 350 L N 3.944 125.103 121.223 -0.107 0.000 2.372 350 L HA 0.422 4.774 4.340 0.020 0.000 0.273 350 L C -0.707 176.094 176.870 -0.116 0.000 0.989 350 L CA -0.404 54.353 54.840 -0.140 0.000 0.841 350 L CB 1.202 43.202 42.059 -0.099 0.000 1.225 350 L HN 0.239 nan 8.230 nan 0.000 0.414 351 I N 5.026 125.459 120.570 -0.228 0.000 2.308 351 I HA 0.272 4.454 4.170 0.020 0.000 0.293 351 I C 0.704 176.711 176.117 -0.183 0.000 1.078 351 I CA 0.126 61.280 61.300 -0.244 0.000 1.292 351 I CB 0.447 38.218 38.000 -0.383 0.000 1.423 351 I HN 0.412 nan 8.210 nan 0.000 0.493 352 R N 4.328 124.810 120.500 -0.030 0.000 3.657 352 R HA 0.490 4.841 4.340 0.020 0.000 0.220 352 R C 0.526 176.856 176.300 0.050 0.000 1.548 352 R CA -0.208 55.917 56.100 0.041 0.000 1.465 352 R CB 0.252 30.419 30.300 -0.221 0.000 1.330 352 R HN 0.809 nan 8.270 nan 0.000 0.707 353 G N -0.644 108.151 108.800 -0.007 0.000 2.932 353 G HA2 0.637 4.609 3.960 0.020 0.000 0.283 353 G HA3 0.637 4.609 3.960 0.020 0.000 0.283 353 G C -1.426 173.696 174.900 0.370 0.000 1.336 353 G CA -0.443 44.637 45.100 -0.033 0.000 1.056 353 G HN 0.216 nan 8.290 nan 0.000 0.522 354 V N -0.026 120.085 119.914 0.328 0.000 2.851 354 V HA 0.442 4.574 4.120 0.020 0.000 0.307 354 V C -1.182 175.021 176.094 0.183 0.000 1.129 354 V CA -1.151 61.270 62.300 0.202 0.000 0.932 354 V CB 2.144 33.798 31.823 -0.282 0.000 1.024 354 V HN 0.736 nan 8.190 nan 0.000 0.426 355 N N 4.426 123.148 118.700 0.037 0.000 2.530 355 N HA 0.489 5.240 4.740 0.020 0.000 0.277 355 N C -0.651 174.641 175.510 -0.364 0.000 1.168 355 N CA -0.212 52.705 53.050 -0.221 0.000 0.979 355 N CB 1.404 39.634 38.487 -0.428 0.000 1.141 355 N HN 0.669 nan 8.380 nan 0.000 0.459 356 R N 1.420 121.673 120.500 -0.410 0.000 2.584 356 R HA 0.246 4.598 4.340 0.020 0.000 0.276 356 R C -1.465 174.608 176.300 -0.379 0.000 1.046 356 R CA -0.536 55.366 56.100 -0.330 0.000 0.906 356 R CB 1.244 31.334 30.300 -0.349 0.000 1.215 356 R HN 0.601 nan 8.270 nan 0.000 0.449 357 H N 1.874 120.861 119.070 -0.137 0.000 2.499 357 H HA 0.188 4.756 4.556 0.020 0.000 0.340 357 H C -0.564 174.791 175.328 0.045 0.000 1.148 357 H CA -0.427 55.625 56.048 0.006 0.000 1.215 357 H CB 1.919 31.748 29.762 0.111 0.000 1.529 357 H HN 0.573 nan 8.280 nan 0.000 0.510 358 E N 1.876 122.261 120.200 0.308 0.000 2.070 358 E HA 0.216 4.578 4.350 0.020 0.000 0.282 358 E C -0.655 176.083 176.600 0.231 0.000 1.104 358 E CA -0.257 56.234 56.400 0.152 0.000 0.876 358 E CB 0.584 30.322 29.700 0.064 0.000 1.055 358 E HN 0.430 nan 8.360 nan 0.000 0.401 359 H N 1.840 120.966 119.070 0.093 0.000 2.877 359 H HA 0.238 4.806 4.556 0.020 0.000 0.347 359 H C -1.790 173.566 175.328 0.047 0.000 1.042 359 H CA -0.754 55.338 56.048 0.073 0.000 1.276 359 H CB 1.123 30.925 29.762 0.066 0.000 1.681 359 H HN 0.548 nan 8.280 nan 0.000 0.521 360 H N 6.396 125.157 119.070 -0.515 0.000 2.547 360 H HA 0.235 4.803 4.556 0.020 0.000 0.342 360 H C -2.230 172.640 175.328 -0.763 0.000 1.048 360 H CA -2.545 53.216 56.048 -0.479 0.000 1.204 360 H CB 2.496 32.157 29.762 -0.169 0.000 1.493 360 H HN 0.542 nan 8.280 nan 0.000 0.511 361 P HA -0.046 nan 4.420 nan 0.000 0.223 361 P C 1.111 178.318 177.300 -0.156 0.000 1.151 361 P CA 0.761 63.655 63.100 -0.344 0.000 0.787 361 P CB 0.924 32.480 31.700 -0.240 0.000 0.788 362 L N -2.511 118.761 121.223 0.082 0.000 2.624 362 L HA 0.183 4.535 4.340 0.020 0.000 0.222 362 L C 2.285 179.151 176.870 -0.006 0.000 1.046 362 L CA 0.305 55.132 54.840 -0.022 0.000 0.872 362 L CB -0.322 41.656 42.059 -0.135 0.000 1.190 362 L HN -0.043 nan 8.230 nan 0.000 0.487 363 H N -0.318 118.648 119.070 -0.173 0.000 2.548 363 H HA 0.152 4.720 4.556 0.020 0.000 0.265 363 H C 1.403 176.594 175.328 -0.229 0.000 0.969 363 H CA 0.104 55.934 56.048 -0.364 0.000 1.155 363 H CB 0.424 29.723 29.762 -0.773 0.000 1.394 363 H HN 0.424 nan 8.280 nan 0.000 0.570 364 G N 1.508 110.247 108.800 -0.101 0.000 2.527 364 G HA2 -0.362 3.609 3.960 0.020 0.000 0.268 364 G HA3 -0.362 3.609 3.960 0.020 0.000 0.268 364 G C 0.341 175.179 174.900 -0.104 0.000 1.175 364 G CA 0.223 45.214 45.100 -0.182 0.000 0.962 364 G HN 0.499 nan 8.290 nan 0.000 0.560 365 Q N -0.121 119.611 119.800 -0.113 0.000 2.212 365 Q HA 0.485 4.837 4.340 0.020 0.000 0.213 365 Q C 0.254 176.277 176.000 0.039 0.000 0.874 365 Q CA -0.147 55.608 55.803 -0.080 0.000 0.965 365 Q CB 1.034 29.621 28.738 -0.252 0.000 1.074 365 Q HN 0.392 nan 8.270 nan 0.000 0.473 366 V N 1.596 121.544 119.914 0.057 0.000 2.509 366 V HA 0.269 4.401 4.120 0.020 0.000 0.284 366 V C -0.052 176.094 176.094 0.087 0.000 1.047 366 V CA -0.330 62.026 62.300 0.093 0.000 0.952 366 V CB 1.293 33.100 31.823 -0.026 0.000 0.988 366 V HN 0.337 nan 8.190 nan 0.000 0.469 367 M N 5.324 124.976 119.600 0.087 0.000 2.311 367 M HA 0.485 4.977 4.480 0.020 0.000 0.325 367 M C -0.680 175.579 176.300 -0.067 0.000 1.061 367 M CA -1.409 53.905 55.300 0.024 0.000 0.957 367 M CB 1.598 34.201 32.600 0.005 0.000 1.646 367 M HN 0.823 nan 8.290 nan 0.000 0.434 368 D N 1.382 121.772 120.400 -0.017 0.000 2.457 368 D HA 0.216 4.868 4.640 0.020 0.000 0.240 368 D C 0.213 176.515 176.300 0.003 0.000 1.041 368 D CA -0.463 53.524 54.000 -0.022 0.000 0.861 368 D CB 1.451 42.276 40.800 0.043 0.000 1.394 368 D HN 0.689 nan 8.370 nan 0.000 0.473 369 E N 0.149 120.352 120.200 0.004 0.000 2.169 369 E HA -0.293 4.069 4.350 0.020 0.000 0.202 369 E C 1.680 178.337 176.600 0.095 0.000 1.016 369 E CA 1.817 58.255 56.400 0.063 0.000 0.817 369 E CB 0.236 29.985 29.700 0.082 0.000 0.736 369 E HN 0.445 nan 8.360 nan 0.000 0.462 370 Q N -0.538 119.316 119.800 0.090 0.000 2.046 370 Q HA -0.121 4.231 4.340 0.020 0.000 0.200 370 Q C 2.267 178.333 176.000 0.110 0.000 0.975 370 Q CA 1.712 57.575 55.803 0.099 0.000 0.836 370 Q CB -0.808 27.988 28.738 0.095 0.000 0.896 370 Q HN 0.213 nan 8.270 nan 0.000 0.428 371 T N 2.156 116.782 114.554 0.121 0.000 2.708 371 T HA -0.102 4.260 4.350 0.020 0.000 0.266 371 T C 2.077 176.864 174.700 0.144 0.000 1.037 371 T CA 1.550 63.728 62.100 0.130 0.000 1.146 371 T CB -0.237 68.721 68.868 0.149 0.000 0.865 371 T HN 0.189 nan 8.240 nan 0.000 0.435 372 M N 0.587 120.278 119.600 0.152 0.000 2.163 372 M HA -0.168 4.324 4.480 0.020 0.000 0.258 372 M C 2.471 178.944 176.300 0.289 0.000 1.071 372 M CA 1.710 57.174 55.300 0.273 0.000 1.093 372 M CB -0.876 31.909 32.600 0.307 0.000 1.285 372 M HN 0.107 nan 8.290 nan 0.000 0.420 373 V N 0.003 120.010 119.914 0.155 0.000 2.392 373 V HA -0.307 3.825 4.120 0.020 0.000 0.249 373 V C 2.321 178.426 176.094 0.018 0.000 1.059 373 V CA 1.998 64.309 62.300 0.019 0.000 1.051 373 V CB -0.937 30.913 31.823 0.045 0.000 0.658 373 V HN 0.560 nan 8.190 nan 0.000 0.455 374 Q N -0.190 119.665 119.800 0.092 0.000 2.045 374 Q HA -0.299 4.053 4.340 0.020 0.000 0.206 374 Q C 2.099 178.194 176.000 0.158 0.000 0.991 374 Q CA 2.368 58.236 55.803 0.108 0.000 0.851 374 Q CB -0.192 28.614 28.738 0.113 0.000 0.911 374 Q HN 0.617 nan 8.270 nan 0.000 0.418 375 D N 0.243 120.783 120.400 0.232 0.000 2.116 375 D HA -0.183 4.469 4.640 0.020 0.000 0.193 375 D C 1.924 178.291 176.300 0.112 0.000 0.998 375 D CA 1.199 55.401 54.000 0.336 0.000 0.836 375 D CB -0.304 40.689 40.800 0.321 0.000 0.951 375 D HN 0.335 nan 8.370 nan 0.000 0.449 376 I N 0.737 121.333 120.570 0.043 0.000 2.163 376 I HA -0.252 3.930 4.170 0.020 0.000 0.243 376 I C 2.445 178.481 176.117 -0.136 0.000 1.085 376 I CA 0.809 62.022 61.300 -0.145 0.000 1.347 376 I CB -0.398 37.412 38.000 -0.316 0.000 1.044 376 I HN 0.072 nan 8.210 nan 0.000 0.408 377 L N 0.282 121.459 121.223 -0.078 0.000 1.989 377 L HA -0.245 4.107 4.340 0.020 0.000 0.211 377 L C 2.682 179.637 176.870 0.142 0.000 1.071 377 L CA 1.606 56.467 54.840 0.036 0.000 0.749 377 L CB -0.935 41.158 42.059 0.058 0.000 0.890 377 L HN 0.285 nan 8.230 nan 0.000 0.431 378 L N -0.815 120.516 121.223 0.181 0.000 2.013 378 L HA -0.285 4.067 4.340 0.020 0.000 0.212 378 L C 2.789 179.834 176.870 0.291 0.000 1.073 378 L CA 1.465 56.476 54.840 0.285 0.000 0.753 378 L CB -0.302 42.004 42.059 0.412 0.000 0.890 378 L HN 0.272 nan 8.230 nan 0.000 0.432 379 M N -0.747 118.917 119.600 0.106 0.000 2.082 379 M HA -0.280 4.212 4.480 0.020 0.000 0.258 379 M C 2.342 178.700 176.300 0.096 0.000 1.071 379 M CA 1.919 57.161 55.300 -0.098 0.000 1.103 379 M CB -0.248 32.090 32.600 -0.437 0.000 1.307 379 M HN 0.044 nan 8.290 nan 0.000 0.409 380 K N -0.484 119.888 120.400 -0.047 0.000 2.147 380 K HA -0.215 4.117 4.320 0.020 0.000 0.205 380 K C 2.003 178.505 176.600 -0.163 0.000 1.049 380 K CA 1.376 57.508 56.287 -0.258 0.000 0.936 380 K CB -0.171 31.981 32.500 -0.580 0.000 0.722 380 K HN 0.411 nan 8.250 nan 0.000 0.446 381 Q N 0.568 120.476 119.800 0.179 0.000 2.167 381 Q HA -0.043 4.309 4.340 0.020 0.000 0.202 381 Q C 1.040 177.298 176.000 0.429 0.000 0.970 381 Q CA 1.056 57.084 55.803 0.375 0.000 0.855 381 Q CB 0.222 29.158 28.738 0.329 0.000 0.911 381 Q HN 0.253 nan 8.270 nan 0.000 0.438 382 N N 0.381 119.321 118.700 0.400 0.000 2.313 382 N HA 0.016 4.768 4.740 0.020 0.000 0.207 382 N C -0.517 175.100 175.510 0.179 0.000 1.141 382 N CA 0.175 53.472 53.050 0.412 0.000 0.830 382 N CB 0.572 39.365 38.487 0.509 0.000 1.008 382 N HN 0.207 nan 8.380 nan 0.000 0.481 383 N N -0.224 118.582 118.700 0.178 0.000 2.901 383 N HA -0.159 4.593 4.740 0.020 0.000 0.248 383 N C -0.891 174.495 175.510 -0.207 0.000 1.044 383 N CA 0.625 53.695 53.050 0.034 0.000 0.847 383 N CB -1.724 36.688 38.487 -0.125 0.000 1.127 383 N HN 0.223 nan 8.380 nan 0.000 0.562 384 F N 1.031 120.982 119.950 0.002 0.000 2.379 384 F HA 0.380 4.918 4.527 0.019 0.000 0.332 384 F C 1.785 177.551 175.800 -0.058 0.000 1.096 384 F CA -0.358 57.611 58.000 -0.051 0.000 1.105 384 F CB 0.954 39.904 39.000 -0.084 0.000 1.189 384 F HN 0.063 nan 8.300 nan 0.000 0.515 385 N N 0.419 119.217 118.700 0.162 0.000 2.067 385 N HA 0.346 5.098 4.740 0.020 0.000 0.227 385 N C -0.935 174.587 175.510 0.020 0.000 1.348 385 N CA 0.118 53.193 53.050 0.041 0.000 0.879 385 N CB 0.737 39.301 38.487 0.130 0.000 1.109 385 N HN 0.480 nan 8.380 nan 0.000 0.501 386 A N -0.096 122.784 122.820 0.102 0.000 2.549 386 A HA 0.736 5.068 4.320 0.020 0.000 0.297 386 A C -1.726 175.992 177.584 0.224 0.000 1.061 386 A CA -0.656 51.486 52.037 0.174 0.000 0.690 386 A CB 1.906 21.008 19.000 0.170 0.000 1.287 386 A HN 0.119 nan 8.150 nan 0.000 0.402 387 V N 1.569 121.674 119.914 0.320 0.000 2.914 387 V HA 0.787 4.919 4.120 0.020 0.000 0.314 387 V C -0.358 175.918 176.094 0.304 0.000 1.084 387 V CA -0.862 61.611 62.300 0.289 0.000 0.963 387 V CB 1.911 33.827 31.823 0.154 0.000 1.025 387 V HN 0.964 nan 8.190 nan 0.000 0.432 388 R N 4.430 124.953 120.500 0.038 0.000 2.337 388 R HA 0.382 4.734 4.340 0.020 0.000 0.319 388 R C -0.440 175.692 176.300 -0.281 0.000 0.954 388 R CA -0.540 55.381 56.100 -0.298 0.000 0.840 388 R CB 0.657 30.520 30.300 -0.728 0.000 1.164 388 R HN 0.855 nan 8.270 nan 0.000 0.472 389 C N 3.833 123.011 119.300 -0.204 0.000 3.963 389 C HA -0.011 4.461 4.460 0.020 0.000 0.580 389 C C 1.101 175.765 174.990 -0.544 0.000 1.103 389 C CA -0.155 58.688 59.018 -0.291 0.000 1.124 389 C CB -2.512 25.169 27.740 -0.099 0.000 1.374 389 C HN 0.718 nan 8.230 nan 0.000 0.645 390 S N 1.447 116.712 115.700 -0.725 0.000 2.589 390 S HA 0.028 4.509 4.470 0.020 0.000 0.306 390 S C 0.031 173.851 174.600 -1.300 0.000 1.221 390 S CA 0.522 57.968 58.200 -1.256 0.000 1.159 390 S CB -0.235 62.319 63.200 -1.077 0.000 0.990 390 S HN 0.781 nan 8.310 nan 0.000 0.514 391 H N 4.044 122.526 119.070 -0.979 0.000 2.806 391 H HA 0.253 4.820 4.556 0.019 0.000 0.218 391 H C -1.319 173.842 175.328 -0.278 0.000 1.392 391 H CA -0.491 55.315 56.048 -0.402 0.000 1.358 391 H CB -0.090 29.636 29.762 -0.060 0.000 1.944 391 H HN 0.878 nan 8.280 nan 0.000 0.530 392 Y N -2.571 117.832 120.300 0.171 0.000 2.638 392 Y HA 0.409 4.971 4.550 0.020 0.000 0.334 392 Y C -3.340 172.659 175.900 0.165 0.000 1.182 392 Y CA -3.238 54.966 58.100 0.173 0.000 1.102 392 Y CB 0.071 38.640 38.460 0.181 0.000 1.343 392 Y HN -0.109 nan 8.280 nan 0.000 0.463 393 P HA 0.107 nan 4.420 nan 0.000 0.268 393 P C -0.508 177.081 177.300 0.482 0.000 1.205 393 P CA 0.280 63.619 63.100 0.398 0.000 0.771 393 P CB 0.702 32.576 31.700 0.290 0.000 0.858 394 N N 0.568 119.563 118.700 0.492 0.000 2.413 394 N HA 0.054 4.806 4.740 0.020 0.000 0.266 394 N C 0.336 176.074 175.510 0.379 0.000 1.238 394 N CA -0.537 52.699 53.050 0.309 0.000 0.972 394 N CB 0.317 38.750 38.487 -0.090 0.000 1.210 394 N HN 0.596 nan 8.380 nan 0.000 0.547 395 H N 1.924 121.100 119.070 0.175 0.000 3.094 395 H HA -0.019 4.549 4.556 0.020 0.000 0.320 395 H C -1.682 173.823 175.328 0.296 0.000 1.000 395 H CA -0.639 55.520 56.048 0.183 0.000 1.413 395 H CB 0.964 30.797 29.762 0.118 0.000 1.405 395 H HN 0.414 nan 8.280 nan 0.000 0.586 396 P HA -0.199 nan 4.420 nan 0.000 0.217 396 P C 1.862 179.464 177.300 0.503 0.000 1.148 396 P CA 0.666 63.990 63.100 0.373 0.000 0.828 396 P CB 0.165 31.939 31.700 0.122 0.000 0.783 397 L N -1.052 120.544 121.223 0.621 0.000 2.083 397 L HA -0.098 4.254 4.340 0.020 0.000 0.209 397 L C 2.333 179.422 176.870 0.364 0.000 1.083 397 L CA 1.648 56.770 54.840 0.470 0.000 0.752 397 L CB -1.393 40.912 42.059 0.409 0.000 0.899 397 L HN 0.042 nan 8.230 nan 0.000 0.433 398 W N -0.359 121.009 121.300 0.112 0.000 2.302 398 W HA -0.380 4.291 4.660 0.019 0.000 0.320 398 W C 2.288 178.689 176.519 -0.197 0.000 1.241 398 W CA 2.303 59.579 57.345 -0.116 0.000 1.264 398 W CB -0.552 28.727 29.460 -0.302 0.000 1.154 398 W HN 0.274 nan 8.180 nan 0.000 0.483 399 Y N 0.489 120.770 120.300 -0.032 0.000 2.081 399 Y HA -0.301 4.261 4.550 0.020 0.000 0.280 399 Y C 2.939 178.702 175.900 -0.227 0.000 1.163 399 Y CA 2.345 60.203 58.100 -0.403 0.000 1.135 399 Y CB -1.533 36.324 38.460 -1.004 0.000 0.970 399 Y HN -0.180 nan 8.280 nan 0.000 0.498 400 T N 0.562 115.221 114.554 0.174 0.000 2.685 400 T HA -0.219 4.143 4.350 0.020 0.000 0.268 400 T C 1.898 176.669 174.700 0.119 0.000 1.034 400 T CA 1.805 64.064 62.100 0.266 0.000 1.149 400 T CB -0.595 68.457 68.868 0.307 0.000 0.860 400 T HN 0.202 nan 8.240 nan 0.000 0.449 401 L N 0.048 121.295 121.223 0.040 0.000 2.093 401 L HA -0.075 4.277 4.340 0.020 0.000 0.208 401 L C 2.939 179.814 176.870 0.008 0.000 1.085 401 L CA 0.944 55.825 54.840 0.069 0.000 0.755 401 L CB -0.598 41.480 42.059 0.031 0.000 0.904 401 L HN 0.387 nan 8.230 nan 0.000 0.435 402 C N -0.399 118.739 119.300 -0.269 0.000 2.453 402 C HA -0.146 4.326 4.460 0.020 0.000 0.277 402 C C 2.446 177.474 174.990 0.063 0.000 1.262 402 C CA 0.251 59.134 59.018 -0.225 0.000 1.718 402 C CB -0.807 26.685 27.740 -0.413 0.000 2.031 402 C HN 0.538 nan 8.230 nan 0.000 0.480 403 D N 0.387 120.834 120.400 0.078 0.000 2.172 403 D HA -0.153 4.499 4.640 0.020 0.000 0.196 403 D C 2.331 178.818 176.300 0.311 0.000 0.999 403 D CA 1.367 55.475 54.000 0.179 0.000 0.856 403 D CB -0.369 40.520 40.800 0.149 0.000 0.934 403 D HN 0.564 nan 8.370 nan 0.000 0.453 404 R N -0.878 119.705 120.500 0.139 0.000 2.055 404 R HA -0.047 4.304 4.340 0.020 0.000 0.226 404 R C 2.374 178.598 176.300 -0.126 0.000 1.135 404 R CA 0.786 56.883 56.100 -0.004 0.000 0.959 404 R CB -0.248 29.982 30.300 -0.116 0.000 0.854 404 R HN 0.273 nan 8.270 nan 0.000 0.431 405 Y N -0.525 119.790 120.300 0.025 0.000 2.395 405 Y HA 0.135 4.696 4.550 0.019 0.000 0.293 405 Y C 1.023 176.868 175.900 -0.091 0.000 1.123 405 Y CA 0.875 58.964 58.100 -0.018 0.000 1.227 405 Y CB 0.552 38.974 38.460 -0.064 0.000 1.012 405 Y HN 0.315 nan 8.280 nan 0.000 0.552 406 G N 1.073 109.918 108.800 0.075 0.000 3.043 406 G HA2 -0.128 3.844 3.960 0.020 0.000 0.239 406 G HA3 -0.128 3.844 3.960 0.020 0.000 0.239 406 G C -1.053 173.715 174.900 -0.219 0.000 1.042 406 G CA -0.620 44.416 45.100 -0.106 0.000 1.189 406 G HN 0.105 nan 8.290 nan 0.000 0.578 407 L N 0.465 121.631 121.223 -0.095 0.000 2.409 407 L HA 0.555 4.907 4.340 0.020 0.000 0.262 407 L C 0.063 176.911 176.870 -0.036 0.000 0.992 407 L CA -1.264 53.457 54.840 -0.198 0.000 0.817 407 L CB 2.105 44.060 42.059 -0.173 0.000 1.350 407 L HN 0.411 nan 8.230 nan 0.000 0.411 408 Y N 1.063 121.471 120.300 0.180 0.000 2.301 408 Y HA 0.480 5.043 4.550 0.022 0.000 0.325 408 Y C 0.205 176.199 175.900 0.158 0.000 1.203 408 Y CA -0.741 57.481 58.100 0.203 0.000 1.255 408 Y CB 1.569 40.139 38.460 0.184 0.000 1.232 408 Y HN 0.131 nan 8.280 nan 0.000 0.501 409 V N 3.051 123.134 119.914 0.282 0.000 2.709 409 V HA 0.313 4.445 4.120 0.020 0.000 0.308 409 V C -0.820 175.338 176.094 0.107 0.000 1.062 409 V CA -1.039 61.370 62.300 0.182 0.000 0.901 409 V CB 1.915 33.808 31.823 0.116 0.000 1.003 409 V HN 0.472 nan 8.190 nan 0.000 0.425 410 V N 2.900 122.865 119.914 0.086 0.000 2.304 410 V HA 0.325 4.457 4.120 0.020 0.000 0.269 410 V C -0.312 175.810 176.094 0.046 0.000 1.036 410 V CA -0.260 62.038 62.300 -0.003 0.000 0.840 410 V CB 1.207 32.927 31.823 -0.171 0.000 1.036 410 V HN 0.888 nan 8.190 nan 0.000 0.466 411 D N 4.133 124.598 120.400 0.109 0.000 2.295 411 D HA 0.283 4.935 4.640 0.020 0.000 0.248 411 D C -0.134 176.324 176.300 0.264 0.000 1.154 411 D CA -0.034 54.118 54.000 0.255 0.000 0.857 411 D CB 1.199 42.203 40.800 0.340 0.000 1.117 411 D HN 0.610 nan 8.370 nan 0.000 0.468 412 E N 1.280 121.586 120.200 0.177 0.000 2.179 412 E HA 0.613 4.975 4.350 0.020 0.000 0.275 412 E C -0.643 176.063 176.600 0.177 0.000 0.945 412 E CA -1.004 55.491 56.400 0.158 0.000 0.792 412 E CB 1.456 31.203 29.700 0.078 0.000 1.125 412 E HN 0.521 nan 8.360 nan 0.000 0.397 413 A N 3.329 126.254 122.820 0.175 0.000 2.466 413 A HA 0.036 4.368 4.320 0.020 0.000 0.238 413 A C 0.228 177.918 177.584 0.177 0.000 1.074 413 A CA -0.150 51.975 52.037 0.147 0.000 0.774 413 A CB 0.135 19.196 19.000 0.102 0.000 1.015 413 A HN 0.658 nan 8.150 nan 0.000 0.498 414 N N 0.801 119.614 118.700 0.189 0.000 2.968 414 N HA 0.391 5.143 4.740 0.020 0.000 0.271 414 N C -1.184 174.442 175.510 0.192 0.000 1.174 414 N CA 0.144 53.341 53.050 0.244 0.000 1.096 414 N CB -0.771 37.882 38.487 0.276 0.000 1.403 414 N HN 0.458 nan 8.380 nan 0.000 0.522 415 I N 0.761 121.438 120.570 0.178 0.000 2.586 415 I HA 0.294 4.476 4.170 0.020 0.000 0.288 415 I C -0.758 175.435 176.117 0.128 0.000 1.147 415 I CA -0.530 60.855 61.300 0.141 0.000 1.047 415 I CB 2.094 40.155 38.000 0.102 0.000 1.244 415 I HN 0.245 nan 8.210 nan 0.000 0.429 416 E N 3.683 123.944 120.200 0.103 0.000 2.334 416 E HA 0.281 4.642 4.350 0.020 0.000 0.280 416 E C -0.525 176.106 176.600 0.053 0.000 0.899 416 E CA -0.317 56.111 56.400 0.047 0.000 0.813 416 E CB 1.468 31.148 29.700 -0.032 0.000 1.318 416 E HN 0.669 nan 8.360 nan 0.000 0.399 417 T N 0.659 115.251 114.554 0.063 0.000 3.248 417 T HA 0.126 4.488 4.350 0.020 0.000 0.271 417 T C 1.095 175.853 174.700 0.097 0.000 1.005 417 T CA -0.183 61.983 62.100 0.111 0.000 0.902 417 T CB -0.260 68.646 68.868 0.063 0.000 1.102 417 T HN 0.639 nan 8.240 nan 0.000 0.548 418 H N 1.267 120.252 119.070 -0.142 0.000 2.330 418 H HA -0.174 4.395 4.556 0.021 0.000 0.290 418 H C 2.395 177.611 175.328 -0.187 0.000 1.111 418 H CA 1.412 57.343 56.048 -0.196 0.000 1.226 418 H CB -0.407 29.189 29.762 -0.277 0.000 1.355 418 H HN 0.583 nan 8.280 nan 0.000 0.485 419 G N 0.967 109.626 108.800 -0.236 0.000 2.470 419 G HA2 -0.170 3.802 3.960 0.020 0.000 0.220 419 G HA3 -0.170 3.802 3.960 0.020 0.000 0.220 419 G C 0.786 175.795 174.900 0.182 0.000 1.121 419 G CA 0.409 45.425 45.100 -0.140 0.000 0.766 419 G HN 0.186 nan 8.290 nan 0.000 0.553 420 M N 0.055 119.807 119.600 0.254 0.000 2.150 420 M HA 0.306 4.798 4.480 0.020 0.000 0.278 420 M C -0.227 176.097 176.300 0.039 0.000 1.213 420 M CA 0.097 55.475 55.300 0.129 0.000 1.147 420 M CB 0.552 33.185 32.600 0.055 0.000 1.371 420 M HN -0.099 nan 8.290 nan 0.000 0.444 421 V N 0.894 120.813 119.914 0.008 0.000 2.624 421 V HA 0.341 4.473 4.120 0.020 0.000 0.294 421 V C -2.322 173.764 176.094 -0.013 0.000 1.077 421 V CA -1.233 61.062 62.300 -0.009 0.000 0.905 421 V CB 1.642 33.455 31.823 -0.018 0.000 1.025 421 V HN 0.685 nan 8.190 nan 0.000 0.440 422 P HA 0.425 nan 4.420 nan 0.000 0.323 422 P C 1.146 178.452 177.300 0.010 0.000 1.309 422 P CA -0.634 62.465 63.100 -0.002 0.000 0.739 422 P CB 1.044 32.745 31.700 0.003 0.000 1.454 423 M N 0.169 119.783 119.600 0.023 0.000 2.213 423 M HA -0.154 4.338 4.480 0.020 0.000 0.263 423 M C 1.405 177.733 176.300 0.048 0.000 1.062 423 M CA 1.843 57.170 55.300 0.045 0.000 1.105 423 M CB -0.534 32.097 32.600 0.053 0.000 1.385 423 M HN 0.326 nan 8.290 nan 0.000 0.417 424 N N 0.185 118.917 118.700 0.054 0.000 2.383 424 N HA -0.125 4.627 4.740 0.020 0.000 0.192 424 N C 1.222 176.727 175.510 -0.008 0.000 1.141 424 N CA 0.430 53.511 53.050 0.052 0.000 0.851 424 N CB -0.638 37.910 38.487 0.100 0.000 0.976 424 N HN 0.339 nan 8.380 nan 0.000 0.465 425 R N 0.728 121.212 120.500 -0.027 0.000 2.133 425 R HA -0.078 4.274 4.340 0.020 0.000 0.247 425 R C 1.554 177.779 176.300 -0.125 0.000 1.151 425 R CA 1.544 57.607 56.100 -0.061 0.000 0.971 425 R CB -0.273 29.988 30.300 -0.064 0.000 0.866 425 R HN 0.343 nan 8.270 nan 0.000 0.447 426 L N -0.622 120.465 121.223 -0.227 0.000 2.145 426 L HA 0.029 4.381 4.340 0.020 0.000 0.201 426 L C 2.498 179.244 176.870 -0.207 0.000 1.075 426 L CA 1.255 55.845 54.840 -0.417 0.000 0.773 426 L CB -0.752 40.755 42.059 -0.920 0.000 0.936 426 L HN 0.425 nan 8.230 nan 0.000 0.451 427 T N -3.717 110.724 114.554 -0.188 0.000 3.025 427 T HA -0.218 4.144 4.350 0.020 0.000 0.270 427 T C 1.185 175.793 174.700 -0.152 0.000 1.126 427 T CA 1.635 63.602 62.100 -0.221 0.000 1.105 427 T CB -0.310 68.366 68.868 -0.320 0.000 0.884 427 T HN 0.206 nan 8.240 nan 0.000 0.522 428 D N 0.547 120.910 120.400 -0.062 0.000 2.369 428 D HA 0.116 4.768 4.640 0.020 0.000 0.211 428 D C -0.239 176.066 176.300 0.009 0.000 1.077 428 D CA -0.317 53.674 54.000 -0.016 0.000 0.842 428 D CB 0.082 40.895 40.800 0.022 0.000 0.947 428 D HN 0.324 nan 8.370 nan 0.000 0.509 429 D N -0.377 120.040 120.400 0.030 0.000 2.233 429 D HA 0.166 4.818 4.640 0.020 0.000 0.240 429 D C -1.702 174.650 176.300 0.085 0.000 1.074 429 D CA -2.306 51.740 54.000 0.076 0.000 0.838 429 D CB 2.191 43.084 40.800 0.155 0.000 1.124 429 D HN -0.117 nan 8.370 nan 0.000 0.475 430 P HA -0.150 nan 4.420 nan 0.000 0.215 430 P C 1.144 178.435 177.300 -0.015 0.000 1.157 430 P CA 1.245 64.348 63.100 0.006 0.000 0.874 430 P CB 0.164 31.858 31.700 -0.011 0.000 0.790 431 R N -1.535 118.945 120.500 -0.034 0.000 2.204 431 R HA -0.181 4.171 4.340 0.020 0.000 0.253 431 R C 1.838 177.963 176.300 -0.292 0.000 1.172 431 R CA 1.690 57.695 56.100 -0.160 0.000 0.994 431 R CB -1.010 29.177 30.300 -0.188 0.000 0.874 431 R HN 0.362 nan 8.270 nan 0.000 0.462 432 W N 0.023 121.268 121.300 -0.091 0.000 3.278 432 W HA 0.117 4.789 4.660 0.019 0.000 0.308 432 W C 1.640 178.099 176.519 -0.099 0.000 1.253 432 W CA -0.598 56.691 57.345 -0.093 0.000 1.759 432 W CB -0.055 29.348 29.460 -0.096 0.000 1.093 432 W HN 0.004 nan 8.180 nan 0.000 0.648 433 L N 2.658 123.910 121.223 0.049 0.000 1.944 433 L HA -0.121 4.231 4.340 0.020 0.000 0.218 433 L C -0.565 176.279 176.870 -0.044 0.000 1.075 433 L CA 2.368 57.200 54.840 -0.013 0.000 0.767 433 L CB -2.045 39.992 42.059 -0.037 0.000 0.890 433 L HN -0.203 nan 8.230 nan 0.000 0.434 434 P HA -0.300 nan 4.420 nan 0.000 0.216 434 P C 1.661 178.914 177.300 -0.078 0.000 1.167 434 P CA 2.861 65.902 63.100 -0.097 0.000 0.933 434 P CB -0.450 31.181 31.700 -0.116 0.000 0.793 435 A N -0.860 121.931 122.820 -0.049 0.000 1.881 435 A HA -0.305 4.027 4.320 0.020 0.000 0.219 435 A C 2.332 179.939 177.584 0.038 0.000 1.215 435 A CA 3.153 55.203 52.037 0.021 0.000 0.648 435 A CB -1.697 17.371 19.000 0.114 0.000 0.832 435 A HN 0.142 nan 8.150 nan 0.000 0.455 436 M N -0.481 119.152 119.600 0.054 0.000 2.080 436 M HA -0.167 4.324 4.480 0.020 0.000 0.260 436 M C 2.606 178.863 176.300 -0.072 0.000 1.068 436 M CA 1.906 57.208 55.300 0.003 0.000 1.109 436 M CB -0.594 31.984 32.600 -0.037 0.000 1.342 436 M HN 0.690 nan 8.290 nan 0.000 0.405 437 S N 0.602 116.236 115.700 -0.110 0.000 2.368 437 S HA -0.236 4.246 4.470 0.020 0.000 0.226 437 S C 1.755 176.209 174.600 -0.243 0.000 1.044 437 S CA 1.775 59.854 58.200 -0.203 0.000 1.062 437 S CB -0.475 62.593 63.200 -0.220 0.000 0.931 437 S HN 0.480 nan 8.310 nan 0.000 0.440 438 E N 0.292 120.389 120.200 -0.173 0.000 2.209 438 E HA -0.146 4.216 4.350 0.020 0.000 0.196 438 E C 2.361 178.880 176.600 -0.136 0.000 0.993 438 E CA 0.892 57.194 56.400 -0.163 0.000 0.819 438 E CB -0.118 29.522 29.700 -0.100 0.000 0.745 438 E HN 0.546 nan 8.360 nan 0.000 0.477 439 R N -0.377 120.070 120.500 -0.088 0.000 2.148 439 R HA -0.039 4.313 4.340 0.020 0.000 0.223 439 R C 2.187 178.448 176.300 -0.065 0.000 1.088 439 R CA 0.441 56.517 56.100 -0.041 0.000 0.985 439 R CB 0.232 30.543 30.300 0.017 0.000 0.880 439 R HN -0.013 nan 8.270 nan 0.000 0.451 440 V N -0.220 119.616 119.914 -0.130 0.000 2.492 440 V HA -0.147 3.985 4.120 0.020 0.000 0.241 440 V C 2.245 178.197 176.094 -0.237 0.000 1.041 440 V CA 1.930 64.145 62.300 -0.141 0.000 1.057 440 V CB 0.156 31.899 31.823 -0.133 0.000 0.711 440 V HN 0.512 nan 8.190 nan 0.000 0.468 441 T N -0.752 113.541 114.554 -0.435 0.000 2.684 441 T HA -0.282 4.080 4.350 0.020 0.000 0.267 441 T C 1.965 176.510 174.700 -0.258 0.000 1.036 441 T CA 1.554 63.307 62.100 -0.579 0.000 1.148 441 T CB -0.463 67.819 68.868 -0.977 0.000 0.863 441 T HN 0.361 nan 8.240 nan 0.000 0.436 442 R N 0.264 120.632 120.500 -0.220 0.000 2.105 442 R HA 0.061 4.413 4.340 0.020 0.000 0.239 442 R C 2.666 178.884 176.300 -0.137 0.000 1.135 442 R CA 1.639 57.643 56.100 -0.159 0.000 0.967 442 R CB -0.515 29.702 30.300 -0.138 0.000 0.861 442 R HN 0.467 nan 8.270 nan 0.000 0.442 443 M N 0.517 120.045 119.600 -0.119 0.000 2.065 443 M HA -0.193 4.299 4.480 0.020 0.000 0.259 443 M C 2.049 178.271 176.300 -0.131 0.000 1.069 443 M CA 1.709 56.962 55.300 -0.079 0.000 1.110 443 M CB -0.012 32.563 32.600 -0.042 0.000 1.328 443 M HN -0.017 nan 8.290 nan 0.000 0.405 444 V N 0.721 120.471 119.914 -0.273 0.000 2.282 444 V HA -0.335 3.797 4.120 0.020 0.000 0.249 444 V C 2.271 178.255 176.094 -0.184 0.000 1.057 444 V CA 2.139 64.179 62.300 -0.434 0.000 1.032 444 V CB -1.002 30.558 31.823 -0.438 0.000 0.645 444 V HN 0.590 nan 8.190 nan 0.000 0.447 445 Q N -0.747 118.977 119.800 -0.125 0.000 2.226 445 Q HA -0.218 4.133 4.340 0.020 0.000 0.204 445 Q C 2.468 178.388 176.000 -0.133 0.000 0.975 445 Q CA 1.532 57.270 55.803 -0.108 0.000 0.866 445 Q CB -0.148 28.540 28.738 -0.083 0.000 0.915 445 Q HN 0.592 nan 8.270 nan 0.000 0.440 446 R N 0.174 120.588 120.500 -0.143 0.000 2.128 446 R HA -0.066 4.286 4.340 0.020 0.000 0.211 446 R C 0.579 176.816 176.300 -0.105 0.000 1.067 446 R CA 1.105 57.103 56.100 -0.170 0.000 1.010 446 R CB 0.451 30.640 30.300 -0.184 0.000 0.922 446 R HN 0.086 nan 8.270 nan 0.000 0.457 447 D N 0.393 120.775 120.400 -0.030 0.000 2.389 447 D HA 0.001 4.653 4.640 0.020 0.000 0.206 447 D C 1.510 177.923 176.300 0.188 0.000 1.055 447 D CA 0.146 54.172 54.000 0.045 0.000 0.856 447 D CB 0.203 40.962 40.800 -0.070 0.000 0.957 447 D HN 0.294 nan 8.370 nan 0.000 0.509 448 R N 1.258 121.869 120.500 0.185 0.000 2.224 448 R HA -0.215 4.137 4.340 0.020 0.000 0.251 448 R C 1.098 177.426 176.300 0.047 0.000 1.123 448 R CA 1.583 57.785 56.100 0.171 0.000 0.944 448 R CB -0.944 29.370 30.300 0.023 0.000 0.910 448 R HN 0.059 nan 8.270 nan 0.000 0.440 449 N N 0.579 119.239 118.700 -0.066 0.000 2.575 449 N HA -0.037 4.715 4.740 0.020 0.000 0.192 449 N C -0.385 175.012 175.510 -0.189 0.000 1.200 449 N CA 0.528 53.492 53.050 -0.142 0.000 0.897 449 N CB -0.096 38.271 38.487 -0.200 0.000 0.990 449 N HN 0.371 nan 8.380 nan 0.000 0.449 450 H N 0.823 119.823 119.070 -0.117 0.000 2.594 450 H HA 0.128 4.696 4.556 0.019 0.000 0.304 450 H C -1.237 173.936 175.328 -0.259 0.000 1.068 450 H CA -1.517 54.443 56.048 -0.146 0.000 1.308 450 H CB 1.835 31.549 29.762 -0.080 0.000 1.409 450 H HN -0.019 nan 8.280 nan 0.000 0.460 451 P HA -0.190 nan 4.420 nan 0.000 0.215 451 P C 1.565 178.466 177.300 -0.666 0.000 1.157 451 P CA 1.499 64.233 63.100 -0.611 0.000 0.874 451 P CB 0.191 31.215 31.700 -1.127 0.000 0.790 452 S N -0.717 114.650 115.700 -0.555 0.000 2.402 452 S HA -0.104 4.378 4.470 0.020 0.000 0.233 452 S C 1.124 175.692 174.600 -0.053 0.000 1.030 452 S CA 0.781 58.853 58.200 -0.214 0.000 1.003 452 S CB -1.782 61.391 63.200 -0.045 0.000 0.813 452 S HN -0.035 nan 8.310 nan 0.000 0.477 453 V N 3.724 123.571 119.914 -0.111 0.000 2.421 453 V HA 0.200 4.332 4.120 0.020 0.000 0.271 453 V C 1.120 177.053 176.094 -0.269 0.000 1.031 453 V CA 0.152 62.342 62.300 -0.183 0.000 1.032 453 V CB 0.158 31.798 31.823 -0.305 0.000 1.009 453 V HN 0.620 nan 8.190 nan 0.000 0.477 454 I N 2.548 123.005 120.570 -0.188 0.000 4.187 454 I HA 0.514 4.696 4.170 0.020 0.000 0.326 454 I C 0.366 176.332 176.117 -0.252 0.000 1.302 454 I CA 0.509 61.705 61.300 -0.173 0.000 1.196 454 I CB 0.534 38.517 38.000 -0.028 0.000 1.095 454 I HN 0.330 nan 8.210 nan 0.000 0.411 455 I N 0.111 120.506 120.570 -0.292 0.000 2.752 455 I HA 0.367 4.549 4.170 0.020 0.000 0.295 455 I C -1.585 174.406 176.117 -0.210 0.000 1.219 455 I CA -0.425 60.744 61.300 -0.218 0.000 1.030 455 I CB 1.978 39.958 38.000 -0.034 0.000 1.259 455 I HN 0.016 nan 8.210 nan 0.000 0.423 456 W N 3.434 124.758 121.300 0.040 0.000 2.512 456 W HA 0.678 5.348 4.660 0.016 0.000 0.335 456 W C 0.318 176.880 176.519 0.071 0.000 1.088 456 W CA -0.714 56.659 57.345 0.048 0.000 1.236 456 W CB 1.603 31.083 29.460 0.034 0.000 1.307 456 W HN 0.265 nan 8.180 nan 0.000 0.567 457 S N 1.959 117.881 115.700 0.370 0.000 2.521 457 S HA 0.396 4.878 4.470 0.020 0.000 0.295 457 S C 0.435 175.186 174.600 0.251 0.000 1.098 457 S CA -0.683 57.681 58.200 0.274 0.000 0.999 457 S CB 0.834 64.151 63.200 0.195 0.000 1.034 457 S HN 0.575 nan 8.310 nan 0.000 0.483 458 L N 3.643 125.010 121.223 0.241 0.000 2.552 458 L HA 0.282 4.634 4.340 0.020 0.000 0.227 458 L C 1.387 178.323 176.870 0.111 0.000 1.146 458 L CA 0.635 55.543 54.840 0.114 0.000 0.858 458 L CB -0.975 41.056 42.059 -0.047 0.000 0.969 458 L HN 0.956 nan 8.230 nan 0.000 0.451 459 G N 0.101 109.054 108.800 0.254 0.000 2.297 459 G HA2 -0.166 3.806 3.960 0.020 0.000 0.209 459 G HA3 -0.166 3.806 3.960 0.020 0.000 0.209 459 G C -1.444 173.676 174.900 0.367 0.000 1.267 459 G CA -0.431 44.826 45.100 0.262 0.000 1.127 459 G HN 0.208 nan 8.290 nan 0.000 0.498 460 N N -0.108 118.745 118.700 0.255 0.000 2.329 460 N HA 0.502 5.254 4.740 0.020 0.000 0.282 460 N C -0.283 175.219 175.510 -0.013 0.000 1.198 460 N CA 0.078 53.179 53.050 0.084 0.000 0.790 460 N CB 1.775 40.147 38.487 -0.192 0.000 1.579 460 N HN 0.906 nan 8.380 nan 0.000 0.475 461 E N 0.341 120.445 120.200 -0.160 0.000 2.149 461 E HA -0.180 4.182 4.350 0.020 0.000 0.191 461 E C -0.907 175.638 176.600 -0.091 0.000 1.384 461 E CA 0.750 56.972 56.400 -0.297 0.000 0.698 461 E CB -1.192 28.072 29.700 -0.726 0.000 1.086 461 E HN 0.435 nan 8.360 nan 0.000 0.338 462 S N -0.012 115.766 115.700 0.130 0.000 2.835 462 S HA 0.424 4.906 4.470 0.020 0.000 0.248 462 S C 0.612 175.380 174.600 0.279 0.000 1.070 462 S CA -0.255 58.061 58.200 0.193 0.000 1.090 462 S CB 1.332 64.675 63.200 0.238 0.000 0.978 462 S HN 0.806 nan 8.310 nan 0.000 0.510 463 G N 1.971 110.883 108.800 0.187 0.000 2.564 463 G HA2 -0.271 3.701 3.960 0.020 0.000 0.273 463 G HA3 -0.271 3.701 3.960 0.020 0.000 0.273 463 G C -0.479 174.610 174.900 0.316 0.000 1.242 463 G CA 0.042 45.262 45.100 0.200 0.000 0.951 463 G HN 0.614 nan 8.290 nan 0.000 0.564 464 H N 1.046 120.271 119.070 0.259 0.000 3.177 464 H HA 0.562 5.129 4.556 0.019 0.000 0.314 464 H C 0.284 175.798 175.328 0.309 0.000 1.059 464 H CA 0.496 56.730 56.048 0.309 0.000 1.515 464 H CB 0.480 30.343 29.762 0.168 0.000 1.672 464 H HN 1.134 nan 8.280 nan 0.000 0.514 465 G N 1.187 110.085 108.800 0.162 0.000 2.568 465 G HA2 0.481 4.453 3.960 0.020 0.000 0.313 465 G HA3 0.481 4.453 3.960 0.020 0.000 0.313 465 G C 0.712 175.580 174.900 -0.053 0.000 1.227 465 G CA -0.148 44.969 45.100 0.028 0.000 0.979 465 G HN 0.584 nan 8.290 nan 0.000 0.486 466 A N 0.400 123.228 122.820 0.014 0.000 1.986 466 A HA -0.145 4.187 4.320 0.020 0.000 0.220 466 A C 2.170 179.731 177.584 -0.039 0.000 1.171 466 A CA 2.160 54.210 52.037 0.022 0.000 0.640 466 A CB -0.555 18.468 19.000 0.039 0.000 0.811 466 A HN 0.571 nan 8.150 nan 0.000 0.451 467 N N -0.330 118.293 118.700 -0.127 0.000 2.137 467 N HA -0.165 4.587 4.740 0.020 0.000 0.190 467 N C 1.392 176.777 175.510 -0.208 0.000 1.017 467 N CA 1.888 54.831 53.050 -0.179 0.000 0.859 467 N CB -0.653 37.677 38.487 -0.261 0.000 1.002 467 N HN 0.805 nan 8.380 nan 0.000 0.428 468 H N -0.032 118.923 119.070 -0.191 0.000 2.357 468 H HA -0.016 4.552 4.556 0.019 0.000 0.301 468 H C 1.299 176.577 175.328 -0.084 0.000 1.082 468 H CA 1.206 57.103 56.048 -0.251 0.000 1.342 468 H CB 0.097 29.555 29.762 -0.506 0.000 1.389 468 H HN 0.198 nan 8.280 nan 0.000 0.511 469 D N 0.521 120.958 120.400 0.063 0.000 2.104 469 D HA -0.167 4.485 4.640 0.020 0.000 0.194 469 D C 2.335 178.746 176.300 0.185 0.000 0.994 469 D CA 1.265 55.338 54.000 0.122 0.000 0.830 469 D CB -0.408 40.464 40.800 0.120 0.000 0.959 469 D HN 0.425 nan 8.370 nan 0.000 0.452 470 A N 1.104 123.998 122.820 0.123 0.000 1.851 470 A HA -0.150 4.181 4.320 0.020 0.000 0.216 470 A C 2.476 180.175 177.584 0.192 0.000 1.195 470 A CA 1.129 53.247 52.037 0.136 0.000 0.622 470 A CB -0.980 18.060 19.000 0.066 0.000 0.831 470 A HN 0.213 nan 8.150 nan 0.000 0.444 471 L N -1.760 119.551 121.223 0.146 0.000 2.191 471 L HA -0.201 4.151 4.340 0.020 0.000 0.212 471 L C 2.573 179.585 176.870 0.237 0.000 1.103 471 L CA 1.711 56.653 54.840 0.169 0.000 0.769 471 L CB -0.687 41.402 42.059 0.050 0.000 0.908 471 L HN 0.680 nan 8.230 nan 0.000 0.438 472 Y N 1.169 121.531 120.300 0.102 0.000 2.114 472 Y HA -0.329 4.228 4.550 0.012 0.000 0.284 472 Y C 2.846 178.805 175.900 0.098 0.000 1.143 472 Y CA 1.751 59.914 58.100 0.105 0.000 1.135 472 Y CB -0.140 38.387 38.460 0.111 0.000 0.980 472 Y HN -0.045 nan 8.280 nan 0.000 0.499 473 R N 0.082 120.757 120.500 0.291 0.000 2.120 473 R HA -0.213 4.139 4.340 0.020 0.000 0.234 473 R C 2.001 178.304 176.300 0.005 0.000 1.123 473 R CA 1.920 58.096 56.100 0.126 0.000 0.975 473 R CB -1.439 29.003 30.300 0.237 0.000 0.866 473 R HN 0.695 nan 8.270 nan 0.000 0.446 474 W N 0.542 121.815 121.300 -0.045 0.000 2.355 474 W HA -0.136 4.537 4.660 0.023 0.000 0.309 474 W C 1.579 178.013 176.519 -0.142 0.000 1.206 474 W CA 1.918 59.215 57.345 -0.079 0.000 1.284 474 W CB -0.340 29.073 29.460 -0.079 0.000 1.145 474 W HN 0.081 nan 8.180 nan 0.000 0.502 475 I N 0.945 121.412 120.570 -0.172 0.000 2.091 475 I HA -0.410 3.772 4.170 0.020 0.000 0.239 475 I C 2.583 178.408 176.117 -0.486 0.000 1.061 475 I CA 1.613 62.650 61.300 -0.437 0.000 1.317 475 I CB -0.932 36.900 38.000 -0.280 0.000 1.031 475 I HN -0.127 nan 8.210 nan 0.000 0.401 476 K N 0.678 120.853 120.400 -0.375 0.000 2.127 476 K HA -0.213 4.119 4.320 0.020 0.000 0.212 476 K C 2.311 178.752 176.600 -0.264 0.000 1.050 476 K CA 1.630 57.734 56.287 -0.305 0.000 0.929 476 K CB -0.741 31.565 32.500 -0.324 0.000 0.715 476 K HN 0.232 nan 8.250 nan 0.000 0.457 477 S N -0.079 115.420 115.700 -0.335 0.000 2.335 477 S HA -0.098 4.383 4.470 0.020 0.000 0.217 477 S C 1.977 176.341 174.600 -0.393 0.000 1.032 477 S CA 1.366 59.373 58.200 -0.322 0.000 0.985 477 S CB -0.220 62.791 63.200 -0.314 0.000 0.896 477 S HN 0.285 nan 8.310 nan 0.000 0.445 478 V N 0.284 119.798 119.914 -0.667 0.000 2.548 478 V HA 0.077 4.209 4.120 0.020 0.000 0.249 478 V C 0.280 176.134 176.094 -0.400 0.000 1.055 478 V CA 1.798 63.735 62.300 -0.605 0.000 1.065 478 V CB -0.304 30.961 31.823 -0.930 0.000 0.681 478 V HN 0.407 nan 8.190 nan 0.000 0.462 479 D N 0.486 120.676 120.400 -0.350 0.000 2.358 479 D HA 0.432 5.084 4.640 0.020 0.000 0.253 479 D C -2.335 173.948 176.300 -0.028 0.000 1.288 479 D CA -1.902 52.024 54.000 -0.123 0.000 0.950 479 D CB 1.941 42.766 40.800 0.041 0.000 1.197 479 D HN 0.214 nan 8.370 nan 0.000 0.550 480 P HA 0.055 nan 4.420 nan 0.000 0.261 480 P C 1.074 178.383 177.300 0.015 0.000 1.268 480 P CA 0.109 63.196 63.100 -0.022 0.000 0.833 480 P CB 0.460 32.136 31.700 -0.041 0.000 1.231 481 S N -0.079 115.640 115.700 0.032 0.000 2.428 481 S HA 0.001 4.483 4.470 0.020 0.000 0.230 481 S C 0.936 175.543 174.600 0.013 0.000 1.014 481 S CA 0.181 58.398 58.200 0.029 0.000 0.957 481 S CB -0.351 62.860 63.200 0.019 0.000 0.784 481 S HN 0.095 nan 8.310 nan 0.000 0.499 482 R N 0.817 121.330 120.500 0.022 0.000 2.795 482 R HA 0.600 4.952 4.340 0.020 0.000 0.275 482 R C -3.227 173.104 176.300 0.050 0.000 0.981 482 R CA -2.468 53.606 56.100 -0.044 0.000 0.917 482 R CB 1.170 31.279 30.300 -0.319 0.000 1.202 482 R HN 0.145 nan 8.270 nan 0.000 0.469 483 P HA 0.159 nan 4.420 nan 0.000 0.278 483 P C -0.663 176.720 177.300 0.138 0.000 1.238 483 P CA -0.477 62.663 63.100 0.067 0.000 0.794 483 P CB 0.858 32.585 31.700 0.045 0.000 0.955 484 V N 3.290 123.297 119.914 0.154 0.000 2.483 484 V HA 0.399 4.531 4.120 0.020 0.000 0.295 484 V C 0.358 176.611 176.094 0.266 0.000 1.035 484 V CA -0.245 62.188 62.300 0.222 0.000 0.896 484 V CB 1.028 32.910 31.823 0.098 0.000 0.986 484 V HN 0.629 nan 8.190 nan 0.000 0.447 485 Q N 3.692 123.646 119.800 0.257 0.000 2.423 485 Q HA 0.791 5.143 4.340 0.020 0.000 0.278 485 Q C -1.746 174.425 176.000 0.285 0.000 1.097 485 Q CA -0.970 54.964 55.803 0.218 0.000 0.809 485 Q CB 2.812 31.619 28.738 0.114 0.000 1.391 485 Q HN 0.632 nan 8.270 nan 0.000 0.428 486 Y N 0.399 120.741 120.300 0.071 0.000 2.376 486 Y HA 0.181 4.742 4.550 0.018 0.000 0.321 486 Y C -0.318 175.571 175.900 -0.020 0.000 1.189 486 Y CA -0.758 57.350 58.100 0.014 0.000 1.069 486 Y CB 2.118 40.569 38.460 -0.015 0.000 1.292 486 Y HN 0.962 nan 8.280 nan 0.000 0.430 487 E N 3.529 123.233 120.200 -0.825 0.000 2.122 487 E HA 0.103 4.465 4.350 0.020 0.000 0.190 487 E C 0.780 176.965 176.600 -0.693 0.000 0.977 487 E CA 0.863 56.905 56.400 -0.597 0.000 0.820 487 E CB 0.110 29.607 29.700 -0.339 0.000 0.770 487 E HN 0.905 nan 8.360 nan 0.000 0.462 488 G N -0.334 107.731 108.800 -1.226 0.000 2.568 488 G HA2 0.173 4.145 3.960 0.020 0.000 0.231 488 G HA3 0.173 4.145 3.960 0.020 0.000 0.231 488 G C 0.837 175.680 174.900 -0.094 0.000 1.261 488 G CA 0.442 45.233 45.100 -0.515 0.000 0.855 488 G HN 0.410 nan 8.290 nan 0.000 0.576 489 G N -0.779 108.045 108.800 0.040 0.000 2.166 489 G HA2 0.207 4.179 3.960 0.020 0.000 0.260 489 G HA3 0.207 4.179 3.960 0.020 0.000 0.260 489 G C 1.265 176.208 174.900 0.071 0.000 0.986 489 G CA 1.148 46.324 45.100 0.126 0.000 0.683 489 G HN 2.592 nan 8.290 nan 0.000 0.527 490 G N -1.863 106.966 108.800 0.048 0.000 2.370 490 G HA2 0.456 4.428 3.960 0.020 0.000 0.174 490 G HA3 0.456 4.428 3.960 0.020 0.000 0.174 490 G C 1.086 176.104 174.900 0.196 0.000 1.002 490 G CA 1.288 46.464 45.100 0.128 0.000 0.730 490 G HN 2.245 nan 8.290 nan 0.000 0.497 491 A N 0.102 122.941 122.820 0.031 0.000 3.768 491 A HA -0.215 4.117 4.320 0.020 0.000 0.270 491 A C 1.356 178.919 177.584 -0.036 0.000 1.019 491 A CA 2.930 54.933 52.037 -0.057 0.000 1.058 491 A CB -1.743 17.185 19.000 -0.121 0.000 1.085 491 A HN 2.027 nan 8.150 nan 0.000 0.857 492 D N -1.268 119.194 120.400 0.104 0.000 2.539 492 D HA 0.250 4.902 4.640 0.020 0.000 0.232 492 D C 0.673 177.023 176.300 0.084 0.000 1.256 492 D CA 1.085 55.160 54.000 0.124 0.000 0.810 492 D CB -1.133 39.855 40.800 0.314 0.000 1.090 492 D HN 0.908 nan 8.370 nan 0.000 0.519 493 T N -1.466 113.119 114.554 0.052 0.000 2.616 493 T HA 0.078 4.440 4.350 0.020 0.000 0.327 493 T C 1.437 176.126 174.700 -0.018 0.000 1.049 493 T CA 0.690 62.770 62.100 -0.032 0.000 1.022 493 T CB 0.516 69.350 68.868 -0.058 0.000 1.009 493 T HN 0.107 nan 8.240 nan 0.000 0.535 494 T N -1.961 112.552 114.554 -0.069 0.000 3.284 494 T HA 0.359 4.721 4.350 0.020 0.000 0.252 494 T C 1.147 175.647 174.700 -0.333 0.000 1.144 494 T CA 0.061 62.089 62.100 -0.120 0.000 1.021 494 T CB -0.446 68.369 68.868 -0.087 0.000 0.984 494 T HN 0.875 nan 8.240 nan 0.000 0.545 495 A N 0.577 123.293 122.820 -0.172 0.000 2.594 495 A HA 0.577 4.909 4.320 0.020 0.000 0.287 495 A C 0.606 178.210 177.584 0.033 0.000 1.227 495 A CA -0.444 51.390 52.037 -0.339 0.000 0.952 495 A CB 0.352 19.400 19.000 0.080 0.000 1.161 495 A HN 0.409 nan 8.150 nan 0.000 0.524 496 T N -1.545 113.036 114.554 0.044 0.000 2.993 496 T HA 0.379 4.741 4.350 0.020 0.000 0.312 496 T C -0.870 173.950 174.700 0.199 0.000 1.115 496 T CA -0.381 61.850 62.100 0.218 0.000 1.027 496 T CB 1.273 70.218 68.868 0.128 0.000 1.116 496 T HN 0.026 nan 8.240 nan 0.000 0.464 497 D N 2.901 123.447 120.400 0.244 0.000 2.348 497 D HA 0.292 4.944 4.640 0.020 0.000 0.211 497 D C 0.343 176.694 176.300 0.085 0.000 0.998 497 D CA 0.697 54.801 54.000 0.173 0.000 0.873 497 D CB 0.380 41.280 40.800 0.167 0.000 0.925 497 D HN 0.570 nan 8.370 nan 0.000 0.524 498 I N 0.814 121.419 120.570 0.058 0.000 2.533 498 I HA 0.246 4.428 4.170 0.020 0.000 0.290 498 I C -0.425 175.656 176.117 -0.060 0.000 1.056 498 I CA -0.924 60.374 61.300 -0.004 0.000 1.057 498 I CB 2.779 40.780 38.000 0.001 0.000 1.240 498 I HN -0.351 nan 8.210 nan 0.000 0.423 499 I N 5.950 126.442 120.570 -0.131 0.000 2.471 499 I HA -0.006 4.176 4.170 0.020 0.000 0.294 499 I C 0.628 176.572 176.117 -0.288 0.000 1.123 499 I CA 0.107 61.248 61.300 -0.264 0.000 1.336 499 I CB -0.025 37.715 38.000 -0.433 0.000 1.430 499 I HN 0.677 nan 8.210 nan 0.000 0.533 500 C N 6.105 125.261 119.300 -0.240 0.000 2.508 500 C HA 0.482 4.954 4.460 0.020 0.000 0.330 500 C C -1.734 173.128 174.990 -0.213 0.000 1.435 500 C CA -2.342 56.561 59.018 -0.192 0.000 1.712 500 C CB -1.494 26.182 27.740 -0.107 0.000 2.741 500 C HN 0.425 nan 8.230 nan 0.000 0.562 501 P HA 0.264 nan 4.420 nan 0.000 0.272 501 P C -0.464 176.779 177.300 -0.096 0.000 1.254 501 P CA 0.484 63.478 63.100 -0.177 0.000 0.795 501 P CB 0.603 32.166 31.700 -0.228 0.000 1.022 502 M N -1.367 118.212 119.600 -0.035 0.000 2.327 502 M HA 0.475 4.967 4.480 0.020 0.000 0.298 502 M C -0.990 175.304 176.300 -0.010 0.000 1.065 502 M CA -0.793 54.407 55.300 -0.168 0.000 0.916 502 M CB 1.827 34.335 32.600 -0.154 0.000 1.630 502 M HN 0.288 nan 8.290 nan 0.000 0.442 503 Y N -0.680 119.777 120.300 0.261 0.000 4.177 503 Y HA -0.177 4.385 4.550 0.021 0.000 0.227 503 Y C 0.325 176.396 175.900 0.285 0.000 1.154 503 Y CA 0.555 58.820 58.100 0.274 0.000 1.887 503 Y CB -2.442 36.159 38.460 0.234 0.000 1.594 503 Y HN 0.967 nan 8.280 nan 0.000 0.668 504 A N 1.057 124.058 122.820 0.301 0.000 2.409 504 A HA 0.617 4.948 4.320 0.020 0.000 0.262 504 A C 0.678 178.473 177.584 0.351 0.000 1.113 504 A CA -0.595 51.644 52.037 0.337 0.000 0.790 504 A CB 0.401 19.613 19.000 0.352 0.000 1.046 504 A HN 0.392 nan 8.150 nan 0.000 0.496 505 R N 1.886 122.536 120.500 0.250 0.000 2.531 505 R HA 0.286 4.638 4.340 0.020 0.000 0.273 505 R C 1.088 177.402 176.300 0.025 0.000 1.070 505 R CA -0.659 55.526 56.100 0.142 0.000 1.112 505 R CB 0.804 31.148 30.300 0.075 0.000 1.049 505 R HN 0.531 nan 8.270 nan 0.000 0.508 506 V N 1.410 121.194 119.914 -0.217 0.000 2.219 506 V HA -0.301 3.831 4.120 0.020 0.000 0.248 506 V C 1.202 177.199 176.094 -0.161 0.000 1.053 506 V CA 2.017 64.133 62.300 -0.306 0.000 1.009 506 V CB -0.253 31.275 31.823 -0.491 0.000 0.636 506 V HN 0.786 nan 8.190 nan 0.000 0.445 507 D N -1.206 119.119 120.400 -0.124 0.000 2.463 507 D HA 0.060 4.711 4.640 0.020 0.000 0.237 507 D C 1.096 177.383 176.300 -0.021 0.000 1.013 507 D CA 0.177 54.135 54.000 -0.070 0.000 0.910 507 D CB 0.194 40.952 40.800 -0.070 0.000 1.080 507 D HN 0.665 nan 8.370 nan 0.000 0.498 508 E N 2.312 122.503 120.200 -0.015 0.000 2.313 508 E HA 0.078 4.440 4.350 0.020 0.000 0.276 508 E C -0.797 175.807 176.600 0.007 0.000 1.031 508 E CA -0.436 55.963 56.400 -0.003 0.000 0.857 508 E CB 0.982 30.675 29.700 -0.011 0.000 1.040 508 E HN -0.142 nan 8.360 nan 0.000 0.408 509 D N 4.119 124.519 120.400 0.000 0.000 2.256 509 D HA 0.092 4.744 4.640 0.020 0.000 0.250 509 D C -0.552 175.622 176.300 -0.211 0.000 1.093 509 D CA -0.093 53.884 54.000 -0.038 0.000 0.882 509 D CB 1.280 42.155 40.800 0.124 0.000 1.185 509 D HN 0.454 nan 8.370 nan 0.000 0.437 510 Q N 1.535 121.088 119.800 -0.413 0.000 2.644 510 Q HA 0.255 4.607 4.340 0.020 0.000 0.245 510 Q C -2.252 173.068 176.000 -1.133 0.000 1.064 510 Q CA -1.635 53.705 55.803 -0.771 0.000 0.860 510 Q CB 1.821 30.113 28.738 -0.745 0.000 1.145 510 Q HN 0.141 nan 8.270 nan 0.000 0.515 511 P HA -0.017 nan 4.420 nan 0.000 0.231 511 P C -0.912 176.059 177.300 -0.549 0.000 1.756 511 P CA 0.048 62.752 63.100 -0.660 0.000 0.990 511 P CB -0.515 30.997 31.700 -0.313 0.000 1.973 512 F N 2.024 121.817 119.950 -0.262 0.000 2.406 512 F HA 0.318 4.856 4.527 0.019 0.000 0.327 512 F C -1.332 174.375 175.800 -0.155 0.000 1.153 512 F CA -2.711 55.190 58.000 -0.164 0.000 1.218 512 F CB -0.567 38.354 39.000 -0.131 0.000 1.215 512 F HN 0.026 nan 8.300 nan 0.000 0.570 513 P HA 0.119 nan 4.420 nan 0.000 0.271 513 P C 0.321 177.647 177.300 0.043 0.000 1.216 513 P CA 0.811 63.938 63.100 0.045 0.000 0.776 513 P CB 1.148 32.871 31.700 0.039 0.000 0.881 514 A N 3.093 125.927 122.820 0.023 0.000 3.976 514 A HA -0.261 4.071 4.320 0.020 0.000 0.246 514 A C 0.817 178.412 177.584 0.019 0.000 0.591 514 A CA 2.274 54.324 52.037 0.022 0.000 1.143 514 A CB -2.663 16.348 19.000 0.019 0.000 1.238 514 A HN 0.718 nan 8.150 nan 0.000 0.666 515 V N -3.892 116.038 119.914 0.026 0.000 2.724 515 V HA 0.485 4.617 4.120 0.020 0.000 0.341 515 V C -2.449 173.676 176.094 0.051 0.000 1.254 515 V CA -1.148 61.168 62.300 0.026 0.000 1.261 515 V CB 0.546 32.378 31.823 0.015 0.000 1.445 515 V HN 0.474 nan 8.190 nan 0.000 0.652 516 P HA 0.068 nan 4.420 nan 0.000 0.263 516 P C -0.416 176.422 177.300 -0.771 0.000 1.175 516 P CA 0.688 63.421 63.100 -0.613 0.000 0.761 516 P CB 0.665 31.573 31.700 -1.320 0.000 0.794 517 K N 3.586 123.641 120.400 -0.575 0.000 2.266 517 K HA 0.168 4.500 4.320 0.020 0.000 0.274 517 K C -0.309 175.918 176.600 -0.621 0.000 1.090 517 K CA -0.165 55.936 56.287 -0.311 0.000 0.925 517 K CB 0.403 32.998 32.500 0.159 0.000 1.225 517 K HN 0.494 nan 8.250 nan 0.000 0.458 518 W N 1.450 122.458 121.300 -0.488 0.000 2.251 518 W HA 0.076 4.748 4.660 0.020 0.000 0.329 518 W C 1.208 177.793 176.519 0.111 0.000 1.234 518 W CA -0.709 56.452 57.345 -0.305 0.000 1.228 518 W CB 0.601 29.708 29.460 -0.589 0.000 1.135 518 W HN 0.443 nan 8.180 nan 0.000 0.576 519 S N 3.677 119.558 115.700 0.302 0.000 2.563 519 S HA -0.103 4.379 4.470 0.020 0.000 0.294 519 S C 1.148 175.919 174.600 0.286 0.000 1.279 519 S CA -0.083 58.239 58.200 0.203 0.000 1.069 519 S CB 0.139 63.393 63.200 0.091 0.000 0.828 519 S HN 0.544 nan 8.310 nan 0.000 0.497 520 I N 1.604 122.306 120.570 0.221 0.000 2.315 520 I HA -0.160 4.022 4.170 0.020 0.000 0.251 520 I C 2.289 178.442 176.117 0.059 0.000 1.125 520 I CA 1.487 62.900 61.300 0.188 0.000 1.392 520 I CB -0.434 37.616 38.000 0.082 0.000 1.065 520 I HN 0.585 nan 8.210 nan 0.000 0.424 521 K N 1.665 122.004 120.400 -0.103 0.000 2.002 521 K HA -0.207 4.125 4.320 0.020 0.000 0.209 521 K C 2.273 178.870 176.600 -0.004 0.000 1.048 521 K CA 2.280 58.411 56.287 -0.260 0.000 0.930 521 K CB -0.179 32.138 32.500 -0.304 0.000 0.714 521 K HN 0.511 nan 8.250 nan 0.000 0.438 522 K N -0.690 119.745 120.400 0.058 0.000 2.076 522 K HA -0.171 4.161 4.320 0.020 0.000 0.204 522 K C 1.985 178.639 176.600 0.090 0.000 1.051 522 K CA 0.945 57.262 56.287 0.050 0.000 0.949 522 K CB -0.322 32.184 32.500 0.009 0.000 0.726 522 K HN 0.187 nan 8.250 nan 0.000 0.443 523 W N 2.221 123.532 121.300 0.018 0.000 2.290 523 W HA -0.246 4.425 4.660 0.017 0.000 0.323 523 W C 1.607 178.123 176.519 -0.006 0.000 1.260 523 W CA 1.663 59.035 57.345 0.045 0.000 1.266 523 W CB -0.773 28.808 29.460 0.201 0.000 1.149 523 W HN 0.136 nan 8.180 nan 0.000 0.482 524 L N 0.917 122.310 121.223 0.283 0.000 2.187 524 L HA -0.222 4.130 4.340 0.020 0.000 0.213 524 L C 2.254 179.196 176.870 0.121 0.000 1.100 524 L CA 1.812 56.749 54.840 0.162 0.000 0.765 524 L CB -0.984 41.151 42.059 0.127 0.000 0.904 524 L HN 0.015 nan 8.230 nan 0.000 0.437 525 S N -1.393 114.361 115.700 0.090 0.000 2.582 525 S HA 0.261 4.743 4.470 0.020 0.000 0.234 525 S C 0.516 175.108 174.600 -0.015 0.000 0.961 525 S CA -0.567 57.656 58.200 0.037 0.000 0.953 525 S CB -0.415 62.806 63.200 0.035 0.000 0.800 525 S HN 0.158 nan 8.310 nan 0.000 0.471 526 L N 2.362 123.568 121.223 -0.028 0.000 2.514 526 L HA 0.224 4.576 4.340 0.020 0.000 0.280 526 L C -2.176 174.662 176.870 -0.052 0.000 1.223 526 L CA -1.670 53.107 54.840 -0.105 0.000 0.864 526 L CB -0.076 41.911 42.059 -0.121 0.000 1.118 526 L HN 0.080 nan 8.230 nan 0.000 0.494 527 P HA 0.017 nan 4.420 nan 0.000 0.261 527 P C 0.726 178.015 177.300 -0.020 0.000 1.183 527 P CA 0.939 64.014 63.100 -0.042 0.000 0.761 527 P CB 0.775 32.446 31.700 -0.049 0.000 0.785 528 G N 2.206 111.003 108.800 -0.005 0.000 2.358 528 G HA2 -0.256 3.715 3.960 0.020 0.000 0.224 528 G HA3 -0.256 3.715 3.960 0.020 0.000 0.224 528 G C 0.324 175.238 174.900 0.024 0.000 1.073 528 G CA 0.032 45.137 45.100 0.009 0.000 0.635 528 G HN 0.629 nan 8.290 nan 0.000 0.509 529 E N 1.293 121.514 120.200 0.034 0.000 2.413 529 E HA 0.493 4.855 4.350 0.020 0.000 0.263 529 E C 1.361 177.986 176.600 0.043 0.000 1.015 529 E CA 1.381 57.816 56.400 0.058 0.000 0.916 529 E CB 0.800 30.562 29.700 0.105 0.000 0.947 529 E HN 0.803 nan 8.360 nan 0.000 0.440 530 T N 1.057 115.635 114.554 0.041 0.000 3.123 530 T HA 0.228 4.590 4.350 0.020 0.000 0.266 530 T C 0.490 175.204 174.700 0.023 0.000 0.873 530 T CA -0.420 61.697 62.100 0.029 0.000 0.854 530 T CB -0.034 68.849 68.868 0.025 0.000 1.254 530 T HN 0.311 nan 8.240 nan 0.000 0.570 531 R N 2.259 122.772 120.500 0.022 0.000 2.774 531 R HA 0.430 4.782 4.340 0.020 0.000 0.269 531 R C -2.534 173.756 176.300 -0.017 0.000 1.068 531 R CA -1.401 54.702 56.100 0.006 0.000 1.180 531 R CB 0.139 30.440 30.300 0.002 0.000 1.077 531 R HN 0.294 nan 8.270 nan 0.000 0.513 532 P HA 0.108 nan 4.420 nan 0.000 0.277 532 P C -1.118 176.128 177.300 -0.091 0.000 1.240 532 P CA -0.174 62.896 63.100 -0.051 0.000 0.798 532 P CB 0.668 32.339 31.700 -0.049 0.000 0.979 533 L N 3.438 124.592 121.223 -0.115 0.000 2.313 533 L HA 0.582 4.934 4.340 0.020 0.000 0.283 533 L C -0.975 175.778 176.870 -0.194 0.000 1.013 533 L CA -0.575 54.161 54.840 -0.173 0.000 0.816 533 L CB 0.388 42.336 42.059 -0.184 0.000 1.236 533 L HN 0.234 nan 8.230 nan 0.000 0.419 534 I N 5.726 126.181 120.570 -0.192 0.000 2.512 534 I HA 0.255 4.437 4.170 0.020 0.000 0.287 534 I C -0.933 175.097 176.117 -0.145 0.000 1.069 534 I CA -0.635 60.550 61.300 -0.192 0.000 1.056 534 I CB 2.029 39.956 38.000 -0.122 0.000 1.229 534 I HN 0.451 nan 8.210 nan 0.000 0.429 535 L N 5.515 126.621 121.223 -0.194 0.000 2.369 535 L HA 0.130 4.482 4.340 0.020 0.000 0.279 535 L C 1.489 178.416 176.870 0.094 0.000 1.108 535 L CA -0.386 54.393 54.840 -0.102 0.000 0.852 535 L CB 0.694 42.642 42.059 -0.185 0.000 1.169 535 L HN 0.882 nan 8.230 nan 0.000 0.452 536 C N 0.528 119.850 119.300 0.038 0.000 2.425 536 C HA 0.033 4.505 4.460 0.020 0.000 0.277 536 C C 0.791 175.877 174.990 0.160 0.000 1.280 536 C CA 0.171 59.221 59.018 0.054 0.000 1.744 536 C CB -0.879 26.839 27.740 -0.037 0.000 1.989 536 C HN 0.844 nan 8.230 nan 0.000 0.491 537 E N -1.297 118.951 120.200 0.080 0.000 2.356 537 E HA 0.681 5.043 4.350 0.020 0.000 0.275 537 E C -1.369 175.155 176.600 -0.127 0.000 0.904 537 E CA -0.495 55.940 56.400 0.058 0.000 0.757 537 E CB 2.392 32.029 29.700 -0.106 0.000 1.232 537 E HN 0.652 nan 8.360 nan 0.000 0.442 538 Y N -1.032 119.145 120.300 -0.206 0.000 2.717 538 Y HA 0.490 5.053 4.550 0.021 0.000 0.345 538 Y C -1.255 174.754 175.900 0.182 0.000 1.187 538 Y CA -0.625 57.370 58.100 -0.175 0.000 1.128 538 Y CB 0.458 38.724 38.460 -0.323 0.000 1.360 538 Y HN 0.738 nan 8.280 nan 0.000 0.467 539 A N 2.453 125.303 122.820 0.050 0.000 2.237 539 A HA -0.252 4.080 4.320 0.020 0.000 0.281 539 A C -0.505 177.194 177.584 0.193 0.000 1.414 539 A CA 1.038 53.121 52.037 0.077 0.000 0.733 539 A CB -2.280 16.611 19.000 -0.182 0.000 1.168 539 A HN 1.237 nan 8.150 nan 0.000 0.347 540 H N 1.175 120.407 119.070 0.270 0.000 3.082 540 H HA 0.292 4.860 4.556 0.020 0.000 0.275 540 H C 1.219 176.603 175.328 0.095 0.000 1.032 540 H CA 0.670 56.896 56.048 0.297 0.000 1.477 540 H CB 0.604 30.483 29.762 0.196 0.000 1.520 540 H HN 0.827 nan 8.280 nan 0.000 0.521 541 A N 6.163 128.868 122.820 -0.190 0.000 2.346 541 A HA 0.002 4.334 4.320 0.020 0.000 0.242 541 A C 1.172 178.493 177.584 -0.438 0.000 1.323 541 A CA -0.359 51.498 52.037 -0.300 0.000 0.940 541 A CB -0.635 18.183 19.000 -0.303 0.000 0.943 541 A HN 0.837 nan 8.150 nan 0.000 0.501 542 M N 1.335 120.649 119.600 -0.476 0.000 2.760 542 M HA 0.352 4.844 4.480 0.020 0.000 0.314 542 M C 1.047 177.116 176.300 -0.386 0.000 1.582 542 M CA 1.273 56.323 55.300 -0.417 0.000 1.484 542 M CB -0.914 31.519 32.600 -0.279 0.000 1.621 542 M HN 0.749 nan 8.290 nan 0.000 0.470 543 G N 4.255 112.766 108.800 -0.482 0.000 2.536 543 G HA2 -0.348 3.624 3.960 0.020 0.000 0.277 543 G HA3 -0.348 3.624 3.960 0.020 0.000 0.277 543 G C -0.180 174.173 174.900 -0.911 0.000 1.155 543 G CA 0.240 44.953 45.100 -0.646 0.000 0.960 543 G HN 0.760 nan 8.290 nan 0.000 0.544 544 N N 1.599 119.732 118.700 -0.944 0.000 2.719 544 N HA 0.597 5.349 4.740 0.020 0.000 0.243 544 N C -0.049 175.200 175.510 -0.435 0.000 1.104 544 N CA 0.919 53.524 53.050 -0.741 0.000 0.981 544 N CB 0.603 38.695 38.487 -0.658 0.000 1.290 544 N HN 0.646 nan 8.380 nan 0.000 0.513 545 S N 1.286 116.786 115.700 -0.334 0.000 2.921 545 S HA 0.581 5.063 4.470 0.020 0.000 0.315 545 S C -0.168 174.340 174.600 -0.153 0.000 1.087 545 S CA -0.406 57.662 58.200 -0.221 0.000 0.877 545 S CB 0.310 63.393 63.200 -0.194 0.000 1.340 545 S HN 0.353 nan 8.310 nan 0.000 0.622 546 L N 0.255 121.424 121.223 -0.090 0.000 4.089 546 L HA -0.097 4.255 4.340 0.020 0.000 0.408 546 L C 0.542 177.445 176.870 0.055 0.000 1.184 546 L CA 0.939 55.759 54.840 -0.033 0.000 0.947 546 L CB -2.086 39.861 42.059 -0.186 0.000 2.066 546 L HN 0.643 nan 8.230 nan 0.000 0.851 547 G N -0.926 107.883 108.800 0.015 0.000 2.378 547 G HA2 0.507 4.479 3.960 0.020 0.000 0.255 547 G HA3 0.507 4.479 3.960 0.020 0.000 0.255 547 G C 1.156 176.100 174.900 0.074 0.000 1.270 547 G CA 0.184 45.271 45.100 -0.021 0.000 0.876 547 G HN 1.356 nan 8.290 nan 0.000 0.521 548 G N 1.454 110.296 108.800 0.069 0.000 2.160 548 G HA2 -0.327 3.644 3.960 0.020 0.000 0.251 548 G HA3 -0.327 3.644 3.960 0.020 0.000 0.251 548 G C 0.866 175.932 174.900 0.276 0.000 1.008 548 G CA 0.793 45.978 45.100 0.142 0.000 0.724 548 G HN 0.948 nan 8.290 nan 0.000 0.514 549 F N 1.188 121.269 119.950 0.218 0.000 2.234 549 F HA 0.205 4.745 4.527 0.020 0.000 0.299 549 F C 2.443 178.509 175.800 0.444 0.000 1.087 549 F CA 2.041 60.274 58.000 0.389 0.000 1.340 549 F CB -0.303 38.845 39.000 0.247 0.000 1.031 549 F HN 0.325 nan 8.300 nan 0.000 0.500 550 A N 0.174 123.178 122.820 0.306 0.000 1.969 550 A HA -0.214 4.118 4.320 0.020 0.000 0.218 550 A C 2.244 179.843 177.584 0.026 0.000 1.169 550 A CA 1.601 53.742 52.037 0.173 0.000 0.635 550 A CB -0.802 18.306 19.000 0.181 0.000 0.810 550 A HN 0.465 nan 8.150 nan 0.000 0.445 551 K N -1.766 118.626 120.400 -0.014 0.000 2.280 551 K HA -0.145 4.187 4.320 0.020 0.000 0.202 551 K C 1.440 177.792 176.600 -0.415 0.000 1.047 551 K CA 1.332 57.518 56.287 -0.167 0.000 0.942 551 K CB -0.306 32.111 32.500 -0.139 0.000 0.739 551 K HN 0.594 nan 8.250 nan 0.000 0.457 552 Y N -1.253 118.791 120.300 -0.426 0.000 2.231 552 Y HA -0.109 4.452 4.550 0.019 0.000 0.294 552 Y C 1.697 176.579 175.900 -1.695 0.000 1.120 552 Y CA 0.977 58.474 58.100 -1.004 0.000 1.141 552 Y CB -0.183 37.737 38.460 -0.900 0.000 1.022 552 Y HN 0.093 nan 8.280 nan 0.000 0.523 553 W N 0.385 121.294 121.300 -0.652 0.000 2.350 553 W HA -0.214 4.459 4.660 0.021 0.000 0.289 553 W C 2.556 178.908 176.519 -0.277 0.000 1.215 553 W CA 1.518 58.631 57.345 -0.387 0.000 1.236 553 W CB -0.347 28.941 29.460 -0.288 0.000 1.130 553 W HN 0.084 nan 8.180 nan 0.000 0.541 554 Q N 0.620 120.268 119.800 -0.254 0.000 1.994 554 Q HA -0.095 4.257 4.340 0.020 0.000 0.198 554 Q C 2.330 178.202 176.000 -0.214 0.000 0.976 554 Q CA 2.109 57.823 55.803 -0.150 0.000 0.828 554 Q CB -1.122 27.562 28.738 -0.089 0.000 0.894 554 Q HN 0.173 nan 8.270 nan 0.000 0.432 555 A N 0.511 123.102 122.820 -0.380 0.000 1.884 555 A HA -0.222 4.110 4.320 0.020 0.000 0.219 555 A C 2.176 179.653 177.584 -0.179 0.000 1.197 555 A CA 1.886 53.723 52.037 -0.333 0.000 0.637 555 A CB -1.360 17.313 19.000 -0.546 0.000 0.827 555 A HN 0.493 nan 8.150 nan 0.000 0.450 556 F N -0.793 118.953 119.950 -0.340 0.000 2.063 556 F HA -0.289 4.250 4.527 0.020 0.000 0.298 556 F C 2.737 178.413 175.800 -0.208 0.000 1.109 556 F CA 1.589 59.357 58.000 -0.387 0.000 1.212 556 F CB -0.354 38.180 39.000 -0.777 0.000 0.973 556 F HN 0.139 nan 8.300 nan 0.000 0.480 557 R N 0.057 120.574 120.500 0.028 0.000 2.117 557 R HA -0.251 4.101 4.340 0.020 0.000 0.243 557 R C 2.216 178.536 176.300 0.034 0.000 1.143 557 R CA 1.950 58.067 56.100 0.027 0.000 0.968 557 R CB -0.434 29.886 30.300 0.032 0.000 0.863 557 R HN 0.436 nan 8.270 nan 0.000 0.444 558 Q N -0.818 119.028 119.800 0.077 0.000 2.163 558 Q HA -0.049 4.303 4.340 0.020 0.000 0.198 558 Q C -0.477 175.585 176.000 0.102 0.000 0.954 558 Q CA 0.680 56.543 55.803 0.100 0.000 0.851 558 Q CB 0.416 29.257 28.738 0.172 0.000 0.928 558 Q HN 0.179 nan 8.270 nan 0.000 0.459 559 Y N 0.693 120.964 120.300 -0.047 0.000 2.404 559 Y HA 0.238 4.799 4.550 0.018 0.000 0.344 559 Y C -1.728 174.145 175.900 -0.046 0.000 0.970 559 Y CA -3.134 54.942 58.100 -0.039 0.000 1.180 559 Y CB 0.962 39.404 38.460 -0.029 0.000 1.138 559 Y HN 0.142 nan 8.280 nan 0.000 0.510 560 P HA -0.198 nan 4.420 nan 0.000 0.214 560 P C 0.943 178.245 177.300 0.004 0.000 1.163 560 P CA 1.896 64.993 63.100 -0.004 0.000 0.889 560 P CB 0.318 31.997 31.700 -0.036 0.000 0.790 561 R N -0.899 119.623 120.500 0.036 0.000 2.339 561 R HA 0.100 4.452 4.340 0.020 0.000 0.199 561 R C 0.597 176.894 176.300 -0.005 0.000 1.018 561 R CA 0.171 56.279 56.100 0.014 0.000 1.036 561 R CB -0.521 29.794 30.300 0.025 0.000 0.899 561 R HN 0.277 nan 8.270 nan 0.000 0.473 562 L N 2.378 123.618 121.223 0.028 0.000 2.315 562 L HA 0.150 4.502 4.340 0.020 0.000 0.278 562 L C 0.633 177.409 176.870 -0.156 0.000 1.088 562 L CA 0.041 54.870 54.840 -0.018 0.000 0.899 562 L CB 1.034 43.158 42.059 0.109 0.000 1.277 562 L HN 0.083 nan 8.230 nan 0.000 0.431 563 Q N 2.588 122.228 119.800 -0.268 0.000 2.212 563 Q HA 0.289 4.641 4.340 0.020 0.000 0.213 563 Q C 0.945 176.590 176.000 -0.591 0.000 0.874 563 Q CA 0.165 55.762 55.803 -0.343 0.000 0.965 563 Q CB 0.936 29.544 28.738 -0.217 0.000 1.074 563 Q HN 0.919 nan 8.270 nan 0.000 0.473 564 G N -0.038 108.091 108.800 -1.120 0.000 2.482 564 G HA2 0.037 4.009 3.960 0.020 0.000 0.214 564 G HA3 0.037 4.009 3.960 0.020 0.000 0.214 564 G C -0.177 173.996 174.900 -1.212 0.000 1.271 564 G CA -0.694 43.376 45.100 -1.716 0.000 0.944 564 G HN 0.640 nan 8.290 nan 0.000 0.568 565 G N -2.490 105.814 108.800 -0.827 0.000 2.341 565 G HA2 0.659 4.631 3.960 0.020 0.000 0.299 565 G HA3 0.659 4.631 3.960 0.020 0.000 0.299 565 G C -1.909 172.956 174.900 -0.058 0.000 1.274 565 G CA -0.129 44.742 45.100 -0.381 0.000 0.853 565 G HN 1.225 nan 8.290 nan 0.000 0.493 566 F N 0.484 120.627 119.950 0.321 0.000 2.507 566 F HA 0.566 5.104 4.527 0.018 0.000 0.328 566 F C 0.643 176.727 175.800 0.472 0.000 1.136 566 F CA -0.807 57.427 58.000 0.389 0.000 0.930 566 F CB 2.055 41.179 39.000 0.207 0.000 1.166 566 F HN 0.276 nan 8.300 nan 0.000 0.436 567 V N 2.839 123.063 119.914 0.516 0.000 2.963 567 V HA -0.054 4.078 4.120 0.020 0.000 0.306 567 V C -0.411 175.826 176.094 0.238 0.000 1.077 567 V CA -0.279 62.132 62.300 0.185 0.000 1.124 567 V CB 0.945 32.848 31.823 0.133 0.000 0.987 567 V HN 0.780 nan 8.190 nan 0.000 0.487 568 W N 5.690 127.067 121.300 0.128 0.000 2.475 568 W HA 0.446 5.118 4.660 0.019 0.000 0.320 568 W C -0.880 175.676 176.519 0.062 0.000 1.022 568 W CA -0.728 56.735 57.345 0.198 0.000 1.240 568 W CB 1.629 31.344 29.460 0.425 0.000 1.328 568 W HN 0.905 nan 8.180 nan 0.000 0.439 569 D N 3.069 123.192 120.400 -0.463 0.000 2.801 569 D HA 0.116 4.768 4.640 0.020 0.000 0.277 569 D C 0.562 176.689 176.300 -0.288 0.000 1.125 569 D CA -0.473 53.074 54.000 -0.755 0.000 1.102 569 D CB 0.535 40.292 40.800 -1.739 0.000 1.400 569 D HN 0.497 nan 8.370 nan 0.000 0.601 570 W N 0.566 121.587 121.300 -0.465 0.000 2.418 570 W HA 0.101 4.773 4.660 0.021 0.000 0.319 570 W C 0.017 176.392 176.519 -0.240 0.000 1.183 570 W CA 0.832 57.980 57.345 -0.329 0.000 1.327 570 W CB 0.265 29.549 29.460 -0.293 0.000 1.163 570 W HN 0.126 nan 8.180 nan 0.000 0.479 571 V N 2.739 122.532 119.914 -0.202 0.000 2.656 571 V HA 0.247 4.379 4.120 0.020 0.000 0.307 571 V C -0.829 175.147 176.094 -0.197 0.000 1.051 571 V CA -0.830 61.251 62.300 -0.364 0.000 0.893 571 V CB 1.484 33.031 31.823 -0.461 0.000 0.999 571 V HN -0.039 nan 8.190 nan 0.000 0.426 572 D N 4.520 124.825 120.400 -0.159 0.000 2.520 572 D HA 0.006 4.658 4.640 0.020 0.000 0.243 572 D C 0.362 176.564 176.300 -0.164 0.000 1.160 572 D CA 0.783 54.716 54.000 -0.112 0.000 0.877 572 D CB 0.912 41.725 40.800 0.021 0.000 1.150 572 D HN 0.638 nan 8.370 nan 0.000 0.494 573 Q N 1.594 121.211 119.800 -0.305 0.000 3.223 573 Q HA 0.058 4.410 4.340 0.020 0.000 0.299 573 Q C -0.139 175.849 176.000 -0.020 0.000 1.385 573 Q CA -0.228 55.187 55.803 -0.647 0.000 0.942 573 Q CB -0.011 28.458 28.738 -0.448 0.000 1.748 573 Q HN 0.361 nan 8.270 nan 0.000 0.523 574 S N -0.267 115.540 115.700 0.180 0.000 2.617 574 S HA 0.610 5.092 4.470 0.020 0.000 0.283 574 S C -0.179 174.600 174.600 0.298 0.000 1.189 574 S CA -0.885 57.497 58.200 0.304 0.000 1.036 574 S CB 1.668 65.006 63.200 0.231 0.000 1.014 574 S HN 0.339 nan 8.310 nan 0.000 0.522 575 L N 1.847 123.163 121.223 0.156 0.000 2.334 575 L HA 0.502 4.854 4.340 0.020 0.000 0.276 575 L C -0.451 176.318 176.870 -0.167 0.000 1.014 575 L CA -1.151 53.655 54.840 -0.056 0.000 0.815 575 L CB 1.409 43.370 42.059 -0.162 0.000 1.268 575 L HN 0.561 nan 8.230 nan 0.000 0.428 576 I N 2.881 123.305 120.570 -0.242 0.000 2.416 576 I HA 0.219 4.401 4.170 0.020 0.000 0.288 576 I C 0.194 175.946 176.117 -0.607 0.000 1.051 576 I CA 0.125 61.162 61.300 -0.438 0.000 1.375 576 I CB 0.846 38.586 38.000 -0.434 0.000 1.407 576 I HN 0.573 nan 8.210 nan 0.000 0.516 577 K N 5.407 125.169 120.400 -1.063 0.000 2.350 577 K HA 0.614 4.946 4.320 0.020 0.000 0.241 577 K C -1.602 174.217 176.600 -1.301 0.000 0.994 577 K CA -0.714 54.821 56.287 -1.252 0.000 0.839 577 K CB 2.494 33.996 32.500 -1.664 0.000 1.244 577 K HN 0.265 nan 8.250 nan 0.000 0.443 578 Y N 0.630 120.747 120.300 -0.304 0.000 2.442 578 Y HA 0.140 4.702 4.550 0.020 0.000 0.344 578 Y C 0.046 176.119 175.900 0.289 0.000 0.976 578 Y CA -1.208 56.922 58.100 0.050 0.000 1.040 578 Y CB 1.408 39.872 38.460 0.007 0.000 1.228 578 Y HN 0.671 nan 8.280 nan 0.000 0.451 579 D N 0.727 121.417 120.400 0.483 0.000 2.447 579 D HA 0.018 4.670 4.640 0.020 0.000 0.265 579 D C 0.894 177.304 176.300 0.182 0.000 1.250 579 D CA -0.324 53.846 54.000 0.283 0.000 1.046 579 D CB 0.519 41.395 40.800 0.128 0.000 1.095 579 D HN 0.791 nan 8.370 nan 0.000 0.555 580 E N 0.191 120.453 120.200 0.103 0.000 2.070 580 E HA -0.297 4.065 4.350 0.020 0.000 0.197 580 E C 1.250 177.887 176.600 0.061 0.000 1.004 580 E CA 1.266 57.705 56.400 0.066 0.000 0.805 580 E CB -0.538 29.184 29.700 0.037 0.000 0.744 580 E HN 0.357 nan 8.360 nan 0.000 0.451 581 N N 0.762 119.502 118.700 0.066 0.000 2.166 581 N HA -0.063 4.689 4.740 0.020 0.000 0.186 581 N C 1.584 177.135 175.510 0.067 0.000 1.019 581 N CA 1.707 54.792 53.050 0.057 0.000 0.856 581 N CB -0.139 38.381 38.487 0.054 0.000 0.993 581 N HN 0.546 nan 8.380 nan 0.000 0.426 582 G N -0.666 108.205 108.800 0.119 0.000 2.273 582 G HA2 -0.190 3.782 3.960 0.020 0.000 0.162 582 G HA3 -0.190 3.782 3.960 0.020 0.000 0.162 582 G C -0.618 174.438 174.900 0.260 0.000 1.006 582 G CA -0.498 44.678 45.100 0.127 0.000 0.704 582 G HN 0.270 nan 8.290 nan 0.000 0.487 583 N N 2.506 121.352 118.700 0.243 0.000 2.497 583 N HA 0.416 5.168 4.740 0.020 0.000 0.268 583 N C -2.789 172.910 175.510 0.315 0.000 1.171 583 N CA -0.920 52.276 53.050 0.243 0.000 0.948 583 N CB 1.292 39.877 38.487 0.164 0.000 1.069 583 N HN 0.203 nan 8.380 nan 0.000 0.460 584 P HA 0.208 nan 4.420 nan 0.000 0.281 584 P C -0.423 176.812 177.300 -0.108 0.000 1.252 584 P CA -0.371 62.591 63.100 -0.231 0.000 0.778 584 P CB 0.421 31.988 31.700 -0.222 0.000 0.895 585 W N 0.934 121.990 121.300 -0.406 0.000 2.936 585 W HA 0.471 5.143 4.660 0.020 0.000 0.338 585 W C -1.171 175.157 176.519 -0.317 0.000 1.121 585 W CA -1.256 55.851 57.345 -0.397 0.000 1.209 585 W CB 0.211 29.224 29.460 -0.746 0.000 1.420 585 W HN 0.155 nan 8.180 nan 0.000 0.516 586 S N 2.116 117.797 115.700 -0.032 0.000 2.455 586 S HA 0.515 4.997 4.470 0.020 0.000 0.278 586 S C 0.354 175.041 174.600 0.146 0.000 1.216 586 S CA -0.295 57.904 58.200 -0.000 0.000 1.055 586 S CB 0.660 63.922 63.200 0.103 0.000 0.939 586 S HN 0.640 nan 8.310 nan 0.000 0.494 587 A N 2.843 125.619 122.820 -0.073 0.000 2.281 587 A HA 0.926 5.258 4.320 0.020 0.000 0.329 587 A C -0.501 177.345 177.584 0.438 0.000 1.122 587 A CA -0.681 51.371 52.037 0.025 0.000 0.850 587 A CB 0.618 19.394 19.000 -0.374 0.000 1.207 587 A HN 0.953 nan 8.150 nan 0.000 0.495 588 Y N -1.956 118.623 120.300 0.466 0.000 3.008 588 Y HA 0.671 5.233 4.550 0.020 0.000 0.306 588 Y C 0.429 176.691 175.900 0.603 0.000 1.643 588 Y CA -1.101 57.321 58.100 0.536 0.000 1.087 588 Y CB 0.011 38.603 38.460 0.220 0.000 1.760 588 Y HN 1.080 nan 8.280 nan 0.000 0.438 589 G N 0.249 109.485 108.800 0.727 0.000 2.224 589 G HA2 0.382 4.353 3.960 0.020 0.000 0.239 589 G HA3 0.382 4.353 3.960 0.020 0.000 0.239 589 G C 1.033 176.249 174.900 0.526 0.000 1.240 589 G CA 0.495 45.931 45.100 0.560 0.000 0.896 589 G HN 2.078 nan 8.290 nan 0.000 0.496 590 G N 2.046 111.122 108.800 0.460 0.000 2.166 590 G HA2 -0.272 3.700 3.960 0.020 0.000 0.260 590 G HA3 -0.272 3.700 3.960 0.020 0.000 0.260 590 G C 0.782 175.853 174.900 0.285 0.000 0.986 590 G CA 0.748 46.053 45.100 0.342 0.000 0.683 590 G HN 0.655 nan 8.290 nan 0.000 0.527 591 D N -0.624 119.964 120.400 0.313 0.000 2.271 591 D HA 0.117 4.769 4.640 0.020 0.000 0.206 591 D C 1.712 177.907 176.300 -0.176 0.000 0.967 591 D CA 0.431 54.462 54.000 0.051 0.000 0.867 591 D CB -0.128 40.645 40.800 -0.044 0.000 0.960 591 D HN 0.450 nan 8.370 nan 0.000 0.509 592 F N -0.078 120.003 119.950 0.219 0.000 2.732 592 F HA 0.290 4.829 4.527 0.020 0.000 0.303 592 F C 1.825 177.716 175.800 0.152 0.000 1.110 592 F CA 0.148 58.234 58.000 0.144 0.000 1.355 592 F CB 0.261 39.324 39.000 0.105 0.000 1.081 592 F HN -0.037 nan 8.300 nan 0.000 0.565 593 G N 0.269 109.229 108.800 0.268 0.000 2.157 593 G HA2 -0.263 3.709 3.960 0.020 0.000 0.248 593 G HA3 -0.263 3.709 3.960 0.020 0.000 0.248 593 G C -0.200 174.842 174.900 0.236 0.000 0.979 593 G CA 0.023 45.249 45.100 0.210 0.000 0.650 593 G HN 0.430 nan 8.290 nan 0.000 0.529 594 D N 0.285 120.875 120.400 0.316 0.000 2.458 594 D HA 0.469 5.121 4.640 0.020 0.000 0.243 594 D C -0.030 176.398 176.300 0.213 0.000 1.146 594 D CA 0.881 55.059 54.000 0.295 0.000 0.877 594 D CB 1.630 42.669 40.800 0.397 0.000 1.176 594 D HN 0.144 nan 8.370 nan 0.000 0.461 595 T N 1.532 116.183 114.554 0.161 0.000 3.193 595 T HA 0.399 4.761 4.350 0.020 0.000 0.332 595 T C -2.760 171.983 174.700 0.071 0.000 1.208 595 T CA -1.053 61.110 62.100 0.105 0.000 1.080 595 T CB 1.482 70.410 68.868 0.100 0.000 1.180 595 T HN 0.363 nan 8.240 nan 0.000 0.469 596 P HA 0.512 nan 4.420 nan 0.000 0.278 596 P C -1.123 176.172 177.300 -0.008 0.000 1.258 596 P CA -0.562 62.544 63.100 0.009 0.000 0.811 596 P CB 0.668 32.346 31.700 -0.037 0.000 1.063 597 N N -1.839 116.864 118.700 0.005 0.000 2.405 597 N HA 0.287 5.038 4.740 0.020 0.000 0.285 597 N C -0.774 174.707 175.510 -0.049 0.000 1.262 597 N CA -0.822 52.215 53.050 -0.022 0.000 0.773 597 N CB 1.258 39.829 38.487 0.140 0.000 1.490 597 N HN 0.133 nan 8.380 nan 0.000 0.486 598 D N 0.169 120.493 120.400 -0.127 0.000 2.738 598 D HA 0.127 4.779 4.640 0.020 0.000 0.246 598 D C 0.269 176.737 176.300 0.279 0.000 1.270 598 D CA -0.019 53.965 54.000 -0.027 0.000 0.833 598 D CB 0.164 40.809 40.800 -0.257 0.000 1.040 598 D HN 0.686 nan 8.370 nan 0.000 0.487 599 R N 0.693 121.358 120.500 0.275 0.000 3.830 599 R HA -0.319 4.033 4.340 0.020 0.000 0.431 599 R C 1.134 177.469 176.300 0.060 0.000 0.243 599 R CA 1.671 57.933 56.100 0.269 0.000 1.371 599 R CB -1.512 28.896 30.300 0.179 0.000 0.946 599 R HN 0.185 nan 8.270 nan 0.000 0.585 600 Q N 1.417 121.026 119.800 -0.318 0.000 2.188 600 Q HA 0.165 4.516 4.340 0.020 0.000 0.212 600 Q C 0.738 176.461 176.000 -0.462 0.000 0.846 600 Q CA 0.396 55.797 55.803 -0.670 0.000 0.989 600 Q CB 0.432 28.471 28.738 -1.165 0.000 1.114 600 Q HN 0.595 nan 8.270 nan 0.000 0.488 601 F N 1.352 121.242 119.950 -0.101 0.000 2.805 601 F HA -0.007 4.532 4.527 0.020 0.000 0.301 601 F C 1.929 177.716 175.800 -0.021 0.000 1.196 601 F CA 0.432 58.438 58.000 0.010 0.000 1.439 601 F CB -0.014 39.038 39.000 0.088 0.000 1.117 601 F HN 0.446 nan 8.300 nan 0.000 0.581 602 C N -1.191 117.934 119.300 -0.291 0.000 2.696 602 C HA 0.328 4.800 4.460 0.020 0.000 0.264 602 C C 0.854 175.654 174.990 -0.317 0.000 1.288 602 C CA -0.450 58.195 59.018 -0.622 0.000 1.717 602 C CB -1.324 25.406 27.740 -1.684 0.000 1.893 602 C HN 0.194 nan 8.230 nan 0.000 0.577 603 M N 2.422 121.867 119.600 -0.257 0.000 2.006 603 M HA 0.337 4.829 4.480 0.020 0.000 0.314 603 M C -0.484 175.667 176.300 -0.248 0.000 0.926 603 M CA 0.248 55.417 55.300 -0.217 0.000 0.906 603 M CB 0.298 32.789 32.600 -0.181 0.000 1.422 603 M HN 0.327 nan 8.290 nan 0.000 0.397 604 N N 0.308 118.877 118.700 -0.218 0.000 2.113 604 N HA 0.131 4.883 4.740 0.020 0.000 0.223 604 N C 0.840 176.134 175.510 -0.360 0.000 1.310 604 N CA -0.481 52.395 53.050 -0.289 0.000 0.896 604 N CB 0.954 39.444 38.487 0.005 0.000 1.097 604 N HN 0.660 nan 8.380 nan 0.000 0.507 605 G N 0.582 109.177 108.800 -0.342 0.000 2.559 605 G HA2 0.102 4.074 3.960 0.020 0.000 0.235 605 G HA3 0.102 4.074 3.960 0.020 0.000 0.235 605 G C 0.677 175.251 174.900 -0.543 0.000 1.266 605 G CA -0.289 44.585 45.100 -0.377 0.000 0.847 605 G HN 0.125 nan 8.290 nan 0.000 0.583 606 L N 0.479 121.451 121.223 -0.418 0.000 2.446 606 L HA 0.153 4.505 4.340 0.020 0.000 0.219 606 L C 0.904 177.667 176.870 -0.178 0.000 1.116 606 L CA 0.302 54.940 54.840 -0.337 0.000 0.844 606 L CB -0.053 41.903 42.059 -0.171 0.000 0.970 606 L HN 0.450 nan 8.230 nan 0.000 0.457 607 V N -5.096 114.645 119.914 -0.288 0.000 3.078 607 V HA 0.453 4.585 4.120 0.020 0.000 0.311 607 V C -0.385 175.584 176.094 -0.209 0.000 1.138 607 V CA -1.228 60.905 62.300 -0.278 0.000 1.007 607 V CB 1.736 33.218 31.823 -0.568 0.000 1.045 607 V HN -0.115 nan 8.190 nan 0.000 0.432 608 F N 1.596 121.406 119.950 -0.233 0.000 2.444 608 F HA 0.535 5.074 4.527 0.020 0.000 0.331 608 F C 1.914 177.622 175.800 -0.154 0.000 1.167 608 F CA 0.428 58.323 58.000 -0.174 0.000 1.262 608 F CB 1.225 40.064 39.000 -0.268 0.000 1.196 608 F HN 0.802 nan 8.300 nan 0.000 0.583 609 A N 0.867 123.767 122.820 0.133 0.000 2.131 609 A HA -0.207 4.124 4.320 0.020 0.000 0.220 609 A C 1.550 179.087 177.584 -0.078 0.000 1.158 609 A CA 1.660 53.719 52.037 0.036 0.000 0.665 609 A CB -0.923 18.167 19.000 0.150 0.000 0.795 609 A HN 0.784 nan 8.150 nan 0.000 0.460 610 D N -2.442 117.927 120.400 -0.052 0.000 2.336 610 D HA 0.079 4.731 4.640 0.020 0.000 0.229 610 D C 0.435 176.692 176.300 -0.071 0.000 1.061 610 D CA -0.074 53.870 54.000 -0.093 0.000 0.875 610 D CB -0.192 40.550 40.800 -0.097 0.000 0.904 610 D HN 0.115 nan 8.370 nan 0.000 0.525 611 R N -1.559 118.891 120.500 -0.083 0.000 3.774 611 R HA -0.126 4.226 4.340 0.020 0.000 0.320 611 R C -0.571 175.688 176.300 -0.067 0.000 1.175 611 R CA 0.658 56.696 56.100 -0.103 0.000 0.849 611 R CB -3.432 26.848 30.300 -0.034 0.000 1.365 611 R HN 0.241 nan 8.270 nan 0.000 0.502 612 T N 2.689 117.233 114.554 -0.018 0.000 2.733 612 T HA 0.391 4.753 4.350 0.020 0.000 0.294 612 T C -2.301 172.424 174.700 0.042 0.000 0.956 612 T CA -1.537 60.588 62.100 0.042 0.000 0.987 612 T CB 1.390 70.288 68.868 0.049 0.000 0.920 612 T HN -0.051 nan 8.240 nan 0.000 0.470 613 P HA -0.038 nan 4.420 nan 0.000 0.266 613 P C -0.304 176.886 177.300 -0.182 0.000 1.186 613 P CA 0.122 63.169 63.100 -0.087 0.000 0.767 613 P CB 0.539 32.232 31.700 -0.013 0.000 0.820 614 H N 2.843 121.758 119.070 -0.258 0.000 2.496 614 H HA 0.175 4.743 4.556 0.020 0.000 0.342 614 H C -1.359 173.888 175.328 -0.136 0.000 1.170 614 H CA -1.781 54.089 56.048 -0.298 0.000 1.274 614 H CB 1.020 30.582 29.762 -0.334 0.000 1.538 614 H HN 0.271 nan 8.280 nan 0.000 0.542 615 P HA -0.061 nan 4.420 nan 0.000 0.226 615 P C 1.048 178.366 177.300 0.029 0.000 1.153 615 P CA 0.883 63.992 63.100 0.014 0.000 0.777 615 P CB 0.065 31.761 31.700 -0.007 0.000 0.794 616 A N -0.351 122.484 122.820 0.024 0.000 2.066 616 A HA -0.090 4.242 4.320 0.020 0.000 0.218 616 A C 2.005 179.556 177.584 -0.054 0.000 1.157 616 A CA 0.710 52.723 52.037 -0.041 0.000 0.670 616 A CB -1.501 17.431 19.000 -0.114 0.000 0.804 616 A HN 0.164 nan 8.150 nan 0.000 0.453 617 L N 0.308 121.529 121.223 -0.003 0.000 2.127 617 L HA -0.154 4.198 4.340 0.020 0.000 0.211 617 L C 2.668 179.599 176.870 0.100 0.000 1.089 617 L CA 2.632 57.503 54.840 0.052 0.000 0.757 617 L CB -0.685 41.416 42.059 0.070 0.000 0.899 617 L HN 0.534 nan 8.230 nan 0.000 0.434 618 T N -2.926 111.687 114.554 0.099 0.000 2.857 618 T HA -0.177 4.185 4.350 0.020 0.000 0.266 618 T C 1.833 176.656 174.700 0.205 0.000 1.048 618 T CA 1.176 63.386 62.100 0.184 0.000 1.139 618 T CB -0.264 68.698 68.868 0.156 0.000 0.874 618 T HN 0.349 nan 8.240 nan 0.000 0.455 619 E N 1.513 121.779 120.200 0.109 0.000 2.097 619 E HA -0.025 4.337 4.350 0.020 0.000 0.196 619 E C 2.277 178.898 176.600 0.034 0.000 1.000 619 E CA 1.634 58.099 56.400 0.108 0.000 0.804 619 E CB -0.903 28.819 29.700 0.037 0.000 0.740 619 E HN 0.678 nan 8.360 nan 0.000 0.454 620 A N 0.785 123.509 122.820 -0.160 0.000 1.877 620 A HA -0.213 4.119 4.320 0.020 0.000 0.216 620 A C 2.166 179.628 177.584 -0.205 0.000 1.186 620 A CA 1.816 53.700 52.037 -0.254 0.000 0.620 620 A CB -0.586 18.232 19.000 -0.303 0.000 0.822 620 A HN 0.223 nan 8.150 nan 0.000 0.443 621 K N -1.179 119.202 120.400 -0.031 0.000 2.044 621 K HA -0.295 4.037 4.320 0.020 0.000 0.210 621 K C 2.081 178.629 176.600 -0.086 0.000 1.049 621 K CA 2.096 58.397 56.287 0.024 0.000 0.927 621 K CB -0.373 32.304 32.500 0.294 0.000 0.713 621 K HN 0.648 nan 8.250 nan 0.000 0.443 622 H N 0.749 119.715 119.070 -0.174 0.000 2.293 622 H HA -0.045 4.524 4.556 0.020 0.000 0.300 622 H C 1.791 176.892 175.328 -0.378 0.000 1.082 622 H CA 1.888 57.661 56.048 -0.459 0.000 1.308 622 H CB -0.021 29.561 29.762 -0.299 0.000 1.375 622 H HN 0.220 nan 8.280 nan 0.000 0.495 623 Q N -0.016 119.508 119.800 -0.461 0.000 2.488 623 Q HA -0.035 4.317 4.340 0.020 0.000 0.211 623 Q C 0.838 176.363 176.000 -0.791 0.000 0.967 623 Q CA 0.772 56.243 55.803 -0.554 0.000 0.926 623 Q CB 0.329 28.932 28.738 -0.224 0.000 0.992 623 Q HN 0.713 nan 8.270 nan 0.000 0.506 624 Q N -0.115 119.196 119.800 -0.816 0.000 2.172 624 Q HA 0.142 4.494 4.340 0.020 0.000 0.217 624 Q C -0.307 175.229 176.000 -0.775 0.000 0.832 624 Q CA -0.195 54.987 55.803 -1.035 0.000 1.010 624 Q CB 0.741 28.856 28.738 -1.039 0.000 1.133 624 Q HN 0.347 nan 8.270 nan 0.000 0.489 625 Q N -0.361 119.119 119.800 -0.534 0.000 2.428 625 Q HA 0.004 4.356 4.340 0.020 0.000 0.276 625 Q C -0.092 175.711 176.000 -0.329 0.000 1.059 625 Q CA 0.369 56.017 55.803 -0.259 0.000 0.923 625 Q CB 0.457 29.094 28.738 -0.169 0.000 1.283 625 Q HN 0.273 nan 8.270 nan 0.000 0.447 626 F N -0.183 119.633 119.950 -0.224 0.000 2.765 626 F HA 0.211 4.750 4.527 0.019 0.000 0.302 626 F C -0.094 175.266 175.800 -0.733 0.000 1.111 626 F CA -0.117 57.549 58.000 -0.557 0.000 1.359 626 F CB 0.329 38.703 39.000 -1.044 0.000 1.097 626 F HN 0.272 nan 8.300 nan 0.000 0.577 627 F N 0.982 120.890 119.950 -0.071 0.000 2.467 627 F HA 0.484 5.023 4.527 0.021 0.000 0.336 627 F C 0.102 175.516 175.800 -0.644 0.000 1.123 627 F CA -1.088 56.727 58.000 -0.308 0.000 0.964 627 F CB 1.122 39.967 39.000 -0.260 0.000 1.136 627 F HN -0.246 nan 8.300 nan 0.000 0.447 628 Q N 3.473 122.964 119.800 -0.515 0.000 2.306 628 Q HA 0.608 4.959 4.340 0.020 0.000 0.265 628 Q C -1.345 174.303 176.000 -0.587 0.000 1.022 628 Q CA -0.661 54.861 55.803 -0.468 0.000 0.853 628 Q CB 2.934 31.558 28.738 -0.190 0.000 1.327 628 Q HN 0.556 nan 8.270 nan 0.000 0.449 629 F N -0.137 119.933 119.950 0.199 0.000 2.588 629 F HA 0.582 5.121 4.527 0.021 0.000 0.310 629 F C 0.216 176.232 175.800 0.360 0.000 1.082 629 F CA -0.891 57.292 58.000 0.304 0.000 0.929 629 F CB 2.094 41.369 39.000 0.458 0.000 1.254 629 F HN 0.179 nan 8.300 nan 0.000 0.455 630 R N 1.266 122.070 120.500 0.506 0.000 2.807 630 R HA 0.770 5.122 4.340 0.020 0.000 0.276 630 R C -1.979 174.442 176.300 0.202 0.000 0.979 630 R CA -1.242 55.081 56.100 0.371 0.000 0.928 630 R CB 2.541 32.953 30.300 0.186 0.000 1.191 630 R HN 0.600 nan 8.270 nan 0.000 0.471 631 L N 1.609 122.834 121.223 0.004 0.000 2.343 631 L HA 0.382 4.734 4.340 0.020 0.000 0.278 631 L C -0.921 175.808 176.870 -0.234 0.000 0.996 631 L CA 0.039 54.650 54.840 -0.382 0.000 0.831 631 L CB 1.860 43.203 42.059 -1.192 0.000 1.232 631 L HN 0.569 nan 8.230 nan 0.000 0.413 632 S N 4.497 120.089 115.700 -0.181 0.000 2.488 632 S HA 0.636 5.118 4.470 0.020 0.000 0.310 632 S C 1.047 175.553 174.600 -0.157 0.000 1.093 632 S CA 0.196 58.319 58.200 -0.129 0.000 1.129 632 S CB 0.210 63.367 63.200 -0.072 0.000 0.989 632 S HN 1.550 nan 8.310 nan 0.000 0.479 633 G N 4.603 113.302 108.800 -0.169 0.000 4.011 633 G HA2 -0.450 3.522 3.960 0.020 0.000 0.348 633 G HA3 -0.450 3.522 3.960 0.020 0.000 0.348 633 G C 0.786 175.559 174.900 -0.211 0.000 1.310 633 G CA 1.163 46.164 45.100 -0.166 0.000 1.056 633 G HN 0.793 nan 8.290 nan 0.000 0.728 634 Q N 0.809 120.495 119.800 -0.189 0.000 2.217 634 Q HA 0.366 4.718 4.340 0.020 0.000 0.217 634 Q C 0.325 176.184 176.000 -0.236 0.000 0.844 634 Q CA 0.934 56.607 55.803 -0.216 0.000 0.957 634 Q CB 0.671 29.310 28.738 -0.164 0.000 1.127 634 Q HN 0.587 nan 8.270 nan 0.000 0.503 635 T N 0.488 114.918 114.554 -0.205 0.000 2.795 635 T HA 0.528 4.890 4.350 0.020 0.000 0.282 635 T C -0.336 174.250 174.700 -0.190 0.000 0.980 635 T CA -0.451 61.545 62.100 -0.174 0.000 1.012 635 T CB 1.230 70.034 68.868 -0.107 0.000 0.936 635 T HN 0.057 nan 8.240 nan 0.000 0.457 636 I N 2.444 122.922 120.570 -0.153 0.000 2.359 636 I HA 0.314 4.496 4.170 0.020 0.000 0.294 636 I C 0.524 176.670 176.117 0.048 0.000 0.987 636 I CA -0.367 60.888 61.300 -0.074 0.000 1.225 636 I CB 1.295 39.257 38.000 -0.064 0.000 1.366 636 I HN 0.592 nan 8.210 nan 0.000 0.466 637 E N 6.281 126.558 120.200 0.129 0.000 2.141 637 E HA 0.407 4.768 4.350 0.020 0.000 0.259 637 E C -1.573 175.162 176.600 0.224 0.000 0.883 637 E CA -0.514 55.973 56.400 0.145 0.000 0.744 637 E CB 1.472 31.231 29.700 0.097 0.000 1.150 637 E HN 0.359 nan 8.360 nan 0.000 0.420 638 V N 4.075 124.113 119.914 0.207 0.000 2.407 638 V HA 0.302 4.434 4.120 0.020 0.000 0.278 638 V C 0.052 176.194 176.094 0.079 0.000 1.037 638 V CA -0.226 62.175 62.300 0.170 0.000 0.900 638 V CB 1.717 33.708 31.823 0.280 0.000 0.983 638 V HN 0.664 nan 8.190 nan 0.000 0.459 639 T N 3.371 117.912 114.554 -0.022 0.000 2.829 639 T HA 0.301 4.663 4.350 0.020 0.000 0.280 639 T C -0.040 174.597 174.700 -0.104 0.000 0.999 639 T CA -0.324 61.753 62.100 -0.037 0.000 0.983 639 T CB 1.608 70.439 68.868 -0.061 0.000 0.968 639 T HN 0.563 nan 8.240 nan 0.000 0.446 640 S N 1.465 117.101 115.700 -0.106 0.000 2.499 640 S HA 0.154 4.636 4.470 0.020 0.000 0.275 640 S C 0.950 175.415 174.600 -0.226 0.000 1.257 640 S CA -0.505 57.564 58.200 -0.219 0.000 1.050 640 S CB 0.390 63.522 63.200 -0.113 0.000 0.937 640 S HN 0.702 nan 8.310 nan 0.000 0.490 641 E N 2.848 122.844 120.200 -0.339 0.000 2.481 641 E HA 0.056 4.418 4.350 0.020 0.000 0.198 641 E C -0.713 175.736 176.600 -0.253 0.000 1.027 641 E CA 0.021 56.259 56.400 -0.269 0.000 0.900 641 E CB 0.322 29.857 29.700 -0.275 0.000 0.993 641 E HN 0.663 nan 8.360 nan 0.000 0.482 642 Y N 0.686 120.903 120.300 -0.138 0.000 2.425 642 Y HA -0.001 4.561 4.550 0.020 0.000 0.331 642 Y C 1.414 177.203 175.900 -0.184 0.000 1.157 642 Y CA 0.136 58.156 58.100 -0.134 0.000 1.372 642 Y CB 0.710 39.070 38.460 -0.167 0.000 1.253 642 Y HN -0.054 nan 8.280 nan 0.000 0.536 643 L N 1.414 122.566 121.223 -0.119 0.000 2.298 643 L HA 0.008 4.360 4.340 0.020 0.000 0.209 643 L C 0.731 177.248 176.870 -0.590 0.000 1.084 643 L CA 0.887 55.414 54.840 -0.522 0.000 0.816 643 L CB -0.007 41.469 42.059 -0.971 0.000 0.967 643 L HN 0.659 nan 8.230 nan 0.000 0.460 644 F N -0.894 119.083 119.950 0.044 0.000 2.747 644 F HA 0.201 4.739 4.527 0.018 0.000 0.305 644 F C 1.178 176.976 175.800 -0.005 0.000 1.065 644 F CA -0.780 57.219 58.000 -0.001 0.000 1.230 644 F CB 0.308 39.286 39.000 -0.036 0.000 1.027 644 F HN -0.130 nan 8.300 nan 0.000 0.607 645 R N -0.355 120.238 120.500 0.155 0.000 2.674 645 R HA 0.404 4.756 4.340 0.020 0.000 0.266 645 R C -0.728 175.577 176.300 0.009 0.000 1.016 645 R CA -0.691 55.412 56.100 0.005 0.000 1.062 645 R CB 0.748 30.927 30.300 -0.202 0.000 1.142 645 R HN -0.024 nan 8.270 nan 0.000 0.517 646 H N 0.906 119.944 119.070 -0.054 0.000 2.458 646 H HA 0.079 4.647 4.556 0.020 0.000 0.330 646 H C -0.198 175.138 175.328 0.013 0.000 1.111 646 H CA -0.407 55.644 56.048 0.004 0.000 1.245 646 H CB 1.695 31.471 29.762 0.023 0.000 1.456 646 H HN 0.809 nan 8.280 nan 0.000 0.488 647 S N 2.620 118.370 115.700 0.083 0.000 3.737 647 S HA -0.131 4.351 4.470 0.020 0.000 0.182 647 S C 0.391 175.174 174.600 0.304 0.000 1.072 647 S CA 0.096 58.450 58.200 0.257 0.000 1.014 647 S CB -1.108 62.252 63.200 0.266 0.000 1.471 647 S HN 0.625 nan 8.310 nan 0.000 0.447 648 D N 0.322 120.872 120.400 0.250 0.000 2.370 648 D HA 0.094 4.746 4.640 0.020 0.000 0.230 648 D C 0.446 176.797 176.300 0.085 0.000 1.143 648 D CA -0.357 53.737 54.000 0.157 0.000 0.834 648 D CB -0.343 40.509 40.800 0.086 0.000 0.944 648 D HN 0.489 nan 8.370 nan 0.000 0.504 649 N N -0.357 118.397 118.700 0.091 0.000 2.393 649 N HA 0.053 4.805 4.740 0.020 0.000 0.256 649 N C -1.458 174.097 175.510 0.075 0.000 1.449 649 N CA -0.143 52.946 53.050 0.065 0.000 0.887 649 N CB 0.334 38.847 38.487 0.043 0.000 1.374 649 N HN -0.068 nan 8.380 nan 0.000 0.503 650 E N 0.544 120.787 120.200 0.071 0.000 2.222 650 E HA 0.514 4.876 4.350 0.020 0.000 0.267 650 E C -0.904 175.714 176.600 0.030 0.000 0.884 650 E CA -0.623 55.794 56.400 0.028 0.000 0.764 650 E CB 2.202 31.849 29.700 -0.088 0.000 1.169 650 E HN 0.315 nan 8.360 nan 0.000 0.413 651 L N 2.019 123.263 121.223 0.035 0.000 2.410 651 L HA 0.634 4.986 4.340 0.020 0.000 0.270 651 L C -1.461 175.463 176.870 0.089 0.000 0.983 651 L CA -1.192 53.685 54.840 0.062 0.000 0.822 651 L CB 1.406 43.505 42.059 0.067 0.000 1.285 651 L HN 0.603 nan 8.230 nan 0.000 0.409 652 L N 4.613 125.911 121.223 0.125 0.000 2.281 652 L HA 0.422 4.774 4.340 0.020 0.000 0.285 652 L C -0.530 176.481 176.870 0.236 0.000 1.074 652 L CA -0.054 54.891 54.840 0.175 0.000 0.817 652 L CB 0.489 42.666 42.059 0.196 0.000 1.168 652 L HN 0.762 nan 8.230 nan 0.000 0.434 653 H N 6.589 125.727 119.070 0.113 0.000 2.457 653 H HA 0.366 4.933 4.556 0.020 0.000 0.335 653 H C -1.679 173.723 175.328 0.123 0.000 1.115 653 H CA -0.787 55.286 56.048 0.042 0.000 1.219 653 H CB 1.004 30.753 29.762 -0.022 0.000 1.471 653 H HN 0.799 nan 8.280 nan 0.000 0.491 654 W N 5.009 125.831 121.300 -0.797 0.000 3.031 654 W HA 0.532 5.204 4.660 0.020 0.000 0.337 654 W C -1.940 174.260 176.519 -0.531 0.000 1.187 654 W CA -1.365 55.676 57.345 -0.507 0.000 1.166 654 W CB 1.426 30.779 29.460 -0.177 0.000 1.437 654 W HN 0.616 nan 8.180 nan 0.000 0.551 655 M N 2.160 121.817 119.600 0.095 0.000 2.414 655 M HA 0.626 5.118 4.480 0.020 0.000 0.287 655 M C -2.615 173.844 176.300 0.266 0.000 1.181 655 M CA -0.505 54.815 55.300 0.033 0.000 0.933 655 M CB 1.909 34.429 32.600 -0.134 0.000 1.732 655 M HN 0.149 nan 8.290 nan 0.000 0.486 656 V N 2.821 122.887 119.914 0.253 0.000 2.540 656 V HA 1.043 5.175 4.120 0.020 0.000 0.302 656 V C -0.265 175.928 176.094 0.166 0.000 1.035 656 V CA -0.054 62.392 62.300 0.244 0.000 0.873 656 V CB 1.064 33.043 31.823 0.260 0.000 0.992 656 V HN 1.188 nan 8.190 nan 0.000 0.428 657 A N 4.111 127.041 122.820 0.184 0.000 2.515 657 A HA 0.912 5.244 4.320 0.020 0.000 0.296 657 A C -1.654 176.045 177.584 0.191 0.000 1.094 657 A CA -0.642 51.475 52.037 0.134 0.000 0.718 657 A CB 1.859 20.890 19.000 0.052 0.000 1.307 657 A HN 0.816 nan 8.150 nan 0.000 0.408 658 L N 1.354 122.658 121.223 0.136 0.000 2.295 658 L HA 0.526 4.878 4.340 0.020 0.000 0.281 658 L C -0.440 176.523 176.870 0.155 0.000 1.018 658 L CA 0.156 55.096 54.840 0.167 0.000 0.841 658 L CB 0.140 42.267 42.059 0.114 0.000 1.218 658 L HN 0.764 nan 8.230 nan 0.000 0.424 659 D N 4.745 125.305 120.400 0.267 0.000 2.701 659 D HA -0.214 4.438 4.640 0.020 0.000 0.235 659 D C 1.174 177.485 176.300 0.017 0.000 1.155 659 D CA 1.553 55.690 54.000 0.229 0.000 0.649 659 D CB -0.947 39.965 40.800 0.186 0.000 1.050 659 D HN 1.189 nan 8.370 nan 0.000 0.425 660 G N -0.895 107.877 108.800 -0.047 0.000 2.194 660 G HA2 -0.345 3.627 3.960 0.020 0.000 0.236 660 G HA3 -0.345 3.627 3.960 0.020 0.000 0.236 660 G C 0.078 174.907 174.900 -0.119 0.000 0.987 660 G CA 0.397 45.380 45.100 -0.196 0.000 0.635 660 G HN 0.513 nan 8.290 nan 0.000 0.520 661 K N 1.749 122.128 120.400 -0.035 0.000 2.281 661 K HA 0.574 4.905 4.320 0.020 0.000 0.272 661 K C -2.752 173.852 176.600 0.006 0.000 1.048 661 K CA -2.225 54.046 56.287 -0.025 0.000 0.898 661 K CB 1.907 34.400 32.500 -0.011 0.000 1.128 661 K HN 0.056 nan 8.250 nan 0.000 0.460 662 P HA -0.028 nan 4.420 nan 0.000 0.264 662 P C -0.129 177.183 177.300 0.019 0.000 1.236 662 P CA 0.180 63.282 63.100 0.003 0.000 0.811 662 P CB 0.385 32.069 31.700 -0.027 0.000 0.840 663 L N 1.785 123.038 121.223 0.050 0.000 2.592 663 L HA 0.427 4.779 4.340 0.020 0.000 0.227 663 L C 0.949 177.855 176.870 0.061 0.000 1.127 663 L CA 0.195 55.068 54.840 0.054 0.000 0.884 663 L CB -0.118 41.983 42.059 0.069 0.000 1.065 663 L HN 0.375 nan 8.230 nan 0.000 0.457 664 A N -0.479 122.373 122.820 0.053 0.000 2.592 664 A HA 0.510 4.842 4.320 0.020 0.000 0.300 664 A C -0.738 176.785 177.584 -0.103 0.000 0.994 664 A CA -0.060 51.992 52.037 0.026 0.000 0.707 664 A CB 0.948 20.044 19.000 0.159 0.000 1.273 664 A HN -0.007 nan 8.150 nan 0.000 0.413 665 S N 0.229 115.718 115.700 -0.353 0.000 2.685 665 S HA 1.012 5.494 4.470 0.020 0.000 0.282 665 S C -0.193 173.708 174.600 -1.165 0.000 1.159 665 S CA 0.370 58.165 58.200 -0.674 0.000 0.833 665 S CB 1.635 64.714 63.200 -0.203 0.000 1.151 665 S HN 2.792 nan 8.310 nan 0.000 0.485 666 G N 0.396 108.399 108.800 -1.327 0.000 2.377 666 G HA2 0.473 4.445 3.960 0.020 0.000 0.297 666 G HA3 0.473 4.445 3.960 0.020 0.000 0.297 666 G C -1.911 172.636 174.900 -0.588 0.000 1.547 666 G CA -0.321 44.193 45.100 -0.976 0.000 0.833 666 G HN 1.004 nan 8.290 nan 0.000 0.583 667 E N -0.776 119.397 120.200 -0.044 0.000 2.288 667 E HA 0.750 5.112 4.350 0.020 0.000 0.268 667 E C -1.782 174.945 176.600 0.212 0.000 0.885 667 E CA -1.068 55.412 56.400 0.134 0.000 0.767 667 E CB 2.818 32.597 29.700 0.131 0.000 1.220 667 E HN 0.540 nan 8.360 nan 0.000 0.427 668 V N 3.727 123.779 119.914 0.231 0.000 2.559 668 V HA 0.306 4.438 4.120 0.020 0.000 0.289 668 V C -2.476 173.707 176.094 0.149 0.000 1.036 668 V CA -1.679 60.740 62.300 0.199 0.000 0.887 668 V CB 1.987 33.953 31.823 0.237 0.000 1.022 668 V HN 0.697 nan 8.190 nan 0.000 0.442 669 P HA 0.048 nan 4.420 nan 0.000 0.260 669 P C -0.386 176.976 177.300 0.103 0.000 1.185 669 P CA 0.334 63.492 63.100 0.096 0.000 0.763 669 P CB 0.546 32.296 31.700 0.084 0.000 0.776 670 L N 3.437 124.714 121.223 0.090 0.000 2.349 670 L HA 0.266 4.618 4.340 0.020 0.000 0.275 670 L C 0.886 177.839 176.870 0.139 0.000 1.115 670 L CA 0.290 55.188 54.840 0.097 0.000 0.820 670 L CB 0.332 42.406 42.059 0.025 0.000 1.135 670 L HN 0.357 nan 8.230 nan 0.000 0.445 671 D N 2.732 123.230 120.400 0.162 0.000 2.468 671 D HA 0.367 5.019 4.640 0.020 0.000 0.272 671 D C -1.341 175.053 176.300 0.156 0.000 1.221 671 D CA -0.198 53.955 54.000 0.253 0.000 0.860 671 D CB 0.855 41.788 40.800 0.222 0.000 1.190 671 D HN 0.074 nan 8.370 nan 0.000 0.509 672 V N 1.302 121.188 119.914 -0.046 0.000 2.540 672 V HA 0.868 5.000 4.120 0.020 0.000 0.302 672 V C 0.803 176.562 176.094 -0.558 0.000 1.035 672 V CA -1.169 61.043 62.300 -0.147 0.000 0.873 672 V CB 1.245 33.119 31.823 0.085 0.000 0.992 672 V HN 0.523 nan 8.190 nan 0.000 0.428 673 A N 6.513 129.107 122.820 -0.378 0.000 2.313 673 A HA 0.783 5.115 4.320 0.020 0.000 0.261 673 A C -2.377 175.134 177.584 -0.123 0.000 1.090 673 A CA -1.534 50.333 52.037 -0.282 0.000 0.807 673 A CB -0.084 18.903 19.000 -0.021 0.000 1.055 673 A HN 0.674 nan 8.150 nan 0.000 0.492 674 P HA 0.134 nan 4.420 nan 0.000 0.266 674 P C -0.596 176.668 177.300 -0.060 0.000 1.195 674 P CA 0.447 63.531 63.100 -0.026 0.000 0.768 674 P CB 0.310 32.001 31.700 -0.015 0.000 0.838 675 Q N -1.045 118.706 119.800 -0.082 0.000 2.468 675 Q HA -0.191 4.161 4.340 0.020 0.000 0.256 675 Q C 0.715 176.679 176.000 -0.060 0.000 0.984 675 Q CA 1.193 56.944 55.803 -0.087 0.000 1.110 675 Q CB -2.019 26.662 28.738 -0.094 0.000 1.527 675 Q HN 0.788 nan 8.270 nan 0.000 0.535 676 G N -0.200 108.570 108.800 -0.050 0.000 2.552 676 G HA2 0.667 4.639 3.960 0.020 0.000 0.324 676 G HA3 0.667 4.639 3.960 0.020 0.000 0.324 676 G C -0.791 174.105 174.900 -0.008 0.000 1.217 676 G CA -0.710 44.375 45.100 -0.026 0.000 0.989 676 G HN -0.035 nan 8.290 nan 0.000 0.490 677 K N -0.577 119.830 120.400 0.012 0.000 2.267 677 K HA 0.530 4.862 4.320 0.020 0.000 0.246 677 K C -0.652 175.979 176.600 0.053 0.000 0.954 677 K CA -0.535 55.772 56.287 0.033 0.000 0.824 677 K CB 2.228 34.744 32.500 0.026 0.000 1.167 677 K HN 0.482 nan 8.250 nan 0.000 0.431 678 Q N 2.588 122.435 119.800 0.077 0.000 2.359 678 Q HA 0.399 4.751 4.340 0.020 0.000 0.274 678 Q C -1.662 174.389 176.000 0.084 0.000 1.074 678 Q CA -0.706 55.149 55.803 0.086 0.000 0.810 678 Q CB 1.510 30.315 28.738 0.112 0.000 1.342 678 Q HN 0.502 nan 8.270 nan 0.000 0.427 679 L N 5.121 126.382 121.223 0.063 0.000 2.280 679 L HA 0.530 4.882 4.340 0.020 0.000 0.287 679 L C -0.733 176.156 176.870 0.032 0.000 1.023 679 L CA -0.555 54.310 54.840 0.042 0.000 0.819 679 L CB 1.258 43.330 42.059 0.022 0.000 1.212 679 L HN 0.598 nan 8.230 nan 0.000 0.420 680 I N 3.200 123.782 120.570 0.019 0.000 2.362 680 I HA 0.220 4.402 4.170 0.020 0.000 0.289 680 I C -0.267 175.798 176.117 -0.087 0.000 0.994 680 I CA -0.460 60.833 61.300 -0.012 0.000 1.158 680 I CB 2.050 40.056 38.000 0.010 0.000 1.315 680 I HN 0.484 nan 8.210 nan 0.000 0.451 681 E N 6.982 127.126 120.200 -0.093 0.000 2.113 681 E HA 0.439 4.801 4.350 0.020 0.000 0.273 681 E C -1.101 175.381 176.600 -0.197 0.000 0.924 681 E CA -0.408 55.913 56.400 -0.131 0.000 0.764 681 E CB 0.949 30.601 29.700 -0.080 0.000 1.104 681 E HN 0.423 nan 8.360 nan 0.000 0.406 682 L N 6.212 127.256 121.223 -0.299 0.000 2.417 682 L HA 0.379 4.731 4.340 0.020 0.000 0.268 682 L C -1.854 174.870 176.870 -0.244 0.000 1.158 682 L CA -1.967 52.621 54.840 -0.421 0.000 0.819 682 L CB 0.585 42.271 42.059 -0.622 0.000 1.112 682 L HN 0.477 nan 8.230 nan 0.000 0.458 683 P HA 0.025 nan 4.420 nan 0.000 0.280 683 P C -0.569 176.697 177.300 -0.058 0.000 1.244 683 P CA -0.489 62.578 63.100 -0.056 0.000 0.784 683 P CB 0.519 32.254 31.700 0.059 0.000 0.913 684 E N 3.497 123.675 120.200 -0.037 0.000 3.231 684 E HA -0.141 4.220 4.350 0.020 0.000 0.271 684 E C -1.081 175.515 176.600 -0.007 0.000 0.877 684 E CA 0.497 56.879 56.400 -0.030 0.000 0.973 684 E CB 0.003 29.696 29.700 -0.012 0.000 0.922 684 E HN 0.268 nan 8.360 nan 0.000 0.532 685 L N 5.332 126.544 121.223 -0.019 0.000 2.283 685 L HA 0.428 4.780 4.340 0.020 0.000 0.281 685 L C -2.047 174.838 176.870 0.024 0.000 1.033 685 L CA -2.118 52.734 54.840 0.019 0.000 0.848 685 L CB 0.623 42.688 42.059 0.009 0.000 1.226 685 L HN 0.415 nan 8.230 nan 0.000 0.429 686 P HA -0.152 nan 4.420 nan 0.000 0.275 686 P C -0.454 176.863 177.300 0.027 0.000 1.195 686 P CA 0.189 63.309 63.100 0.034 0.000 0.779 686 P CB 0.564 32.292 31.700 0.046 0.000 0.793 687 Q N 1.447 121.259 119.800 0.021 0.000 2.249 687 Q HA 0.615 4.967 4.340 0.020 0.000 0.226 687 Q C -2.090 173.925 176.000 0.025 0.000 0.983 687 Q CA -1.142 54.671 55.803 0.017 0.000 0.930 687 Q CB 0.098 28.843 28.738 0.011 0.000 1.193 687 Q HN 0.375 nan 8.270 nan 0.000 0.508 688 P HA 0.305 nan 4.420 nan 0.000 0.308 688 P C -1.378 175.939 177.300 0.027 0.000 1.497 688 P CA -0.650 62.468 63.100 0.031 0.000 1.101 688 P CB 1.509 33.233 31.700 0.039 0.000 1.095 689 E N 1.942 122.158 120.200 0.027 0.000 2.676 689 E HA 0.269 4.631 4.350 0.020 0.000 0.318 689 E C 0.026 176.643 176.600 0.028 0.000 1.514 689 E CA 0.219 56.633 56.400 0.024 0.000 1.667 689 E CB -0.522 29.190 29.700 0.021 0.000 1.336 689 E HN 0.553 nan 8.360 nan 0.000 0.492 690 S N -1.442 114.277 115.700 0.031 0.000 2.653 690 S HA 0.588 5.070 4.470 0.020 0.000 0.264 690 S C -0.854 173.770 174.600 0.040 0.000 1.070 690 S CA -0.787 57.434 58.200 0.036 0.000 0.885 690 S CB 0.724 63.949 63.200 0.041 0.000 1.157 690 S HN 0.272 nan 8.310 nan 0.000 0.479 691 A N -0.369 122.480 122.820 0.047 0.000 2.281 691 A HA 1.050 5.382 4.320 0.020 0.000 0.329 691 A C 0.769 178.395 177.584 0.070 0.000 1.122 691 A CA -0.071 51.997 52.037 0.052 0.000 0.850 691 A CB 0.569 19.600 19.000 0.052 0.000 1.207 691 A HN 2.741 nan 8.150 nan 0.000 0.495 692 G N -0.666 108.180 108.800 0.076 0.000 2.316 692 G HA2 0.225 4.196 3.960 0.020 0.000 0.349 692 G HA3 0.225 4.196 3.960 0.020 0.000 0.349 692 G C -0.981 173.981 174.900 0.104 0.000 1.274 692 G CA -0.557 44.607 45.100 0.108 0.000 1.018 692 G HN 0.887 nan 8.290 nan 0.000 0.486 693 Q N -0.123 119.783 119.800 0.177 0.000 2.314 693 Q HA 0.648 5.000 4.340 0.020 0.000 0.259 693 Q C 0.006 176.162 176.000 0.259 0.000 0.951 693 Q CA -0.502 55.409 55.803 0.180 0.000 0.909 693 Q CB 1.531 30.514 28.738 0.409 0.000 1.236 693 Q HN 0.500 nan 8.270 nan 0.000 0.444 694 L N 3.979 125.216 121.223 0.024 0.000 2.292 694 L HA 0.425 4.777 4.340 0.020 0.000 0.284 694 L C -1.334 175.464 176.870 -0.121 0.000 1.065 694 L CA -0.186 54.687 54.840 0.055 0.000 0.806 694 L CB 0.536 42.595 42.059 -0.000 0.000 1.175 694 L HN 0.739 nan 8.230 nan 0.000 0.431 695 W N 5.282 126.645 121.300 0.105 0.000 2.957 695 W HA 0.450 5.122 4.660 0.020 0.000 0.336 695 W C -0.917 175.702 176.519 0.167 0.000 1.087 695 W CA -0.494 56.939 57.345 0.146 0.000 1.235 695 W CB 1.742 31.311 29.460 0.182 0.000 1.399 695 W HN 0.173 nan 8.180 nan 0.000 0.480 696 L N 3.100 124.587 121.223 0.441 0.000 2.329 696 L HA 0.910 5.262 4.340 0.020 0.000 0.279 696 L C -0.493 176.683 176.870 0.510 0.000 1.014 696 L CA 0.148 55.224 54.840 0.393 0.000 0.814 696 L CB 1.822 44.022 42.059 0.235 0.000 1.257 696 L HN 0.332 nan 8.230 nan 0.000 0.424 697 T N 4.655 119.442 114.554 0.389 0.000 2.886 697 T HA 0.685 5.046 4.350 0.020 0.000 0.292 697 T C -0.863 173.977 174.700 0.233 0.000 1.012 697 T CA -0.376 61.908 62.100 0.307 0.000 0.982 697 T CB 1.703 70.702 68.868 0.217 0.000 1.018 697 T HN 0.708 nan 8.240 nan 0.000 0.451 698 V N 1.173 121.190 119.914 0.171 0.000 2.914 698 V HA 0.920 5.052 4.120 0.020 0.000 0.314 698 V C -1.177 174.958 176.094 0.068 0.000 1.084 698 V CA -1.188 61.153 62.300 0.068 0.000 0.963 698 V CB 2.115 33.917 31.823 -0.035 0.000 1.025 698 V HN 0.898 nan 8.190 nan 0.000 0.432 699 R N 1.812 122.372 120.500 0.101 0.000 2.604 699 R HA 0.717 5.069 4.340 0.020 0.000 0.270 699 R C -1.675 174.743 176.300 0.198 0.000 1.052 699 R CA -0.728 55.498 56.100 0.211 0.000 0.902 699 R CB 2.536 32.965 30.300 0.216 0.000 1.233 699 R HN 0.700 nan 8.270 nan 0.000 0.455 700 V N 2.555 122.615 119.914 0.243 0.000 2.509 700 V HA 0.476 4.608 4.120 0.020 0.000 0.284 700 V C 0.018 176.191 176.094 0.132 0.000 1.047 700 V CA -0.684 61.708 62.300 0.152 0.000 0.952 700 V CB 1.509 33.376 31.823 0.073 0.000 0.988 700 V HN 0.444 nan 8.190 nan 0.000 0.469 701 V N 3.860 123.828 119.914 0.091 0.000 2.680 701 V HA 0.428 4.560 4.120 0.020 0.000 0.309 701 V C -0.327 175.811 176.094 0.074 0.000 1.052 701 V CA -0.747 61.595 62.300 0.071 0.000 0.908 701 V CB 1.861 33.715 31.823 0.052 0.000 1.001 701 V HN 0.899 nan 8.190 nan 0.000 0.431 702 Q N 4.016 123.869 119.800 0.088 0.000 2.655 702 Q HA 0.253 4.605 4.340 0.020 0.000 0.228 702 Q C -1.715 174.313 176.000 0.047 0.000 1.186 702 Q CA -1.833 54.025 55.803 0.091 0.000 1.004 702 Q CB 1.466 30.288 28.738 0.140 0.000 1.242 702 Q HN 0.545 nan 8.270 nan 0.000 0.558 703 P HA -0.258 nan 4.420 nan 0.000 0.217 703 P C -0.495 176.804 177.300 -0.001 0.000 1.162 703 P CA 1.552 64.660 63.100 0.014 0.000 0.901 703 P CB 0.209 31.918 31.700 0.015 0.000 0.793 704 N N -0.933 117.761 118.700 -0.009 0.000 2.458 704 N HA 0.459 5.211 4.740 0.020 0.000 0.271 704 N C -0.486 174.982 175.510 -0.070 0.000 1.210 704 N CA -0.773 52.258 53.050 -0.032 0.000 0.978 704 N CB 0.370 38.839 38.487 -0.030 0.000 1.206 704 N HN 0.004 nan 8.380 nan 0.000 0.536 705 A N -0.098 122.670 122.820 -0.087 0.000 2.309 705 A HA 0.529 4.861 4.320 0.020 0.000 0.298 705 A C 0.498 177.968 177.584 -0.189 0.000 1.165 705 A CA -0.488 51.462 52.037 -0.145 0.000 0.821 705 A CB -0.090 18.847 19.000 -0.104 0.000 1.102 705 A HN 0.719 nan 8.150 nan 0.000 0.500 706 T N -1.209 113.135 114.554 -0.351 0.000 2.893 706 T HA 0.577 4.939 4.350 0.020 0.000 0.279 706 T C 1.123 175.650 174.700 -0.287 0.000 0.991 706 T CA 0.086 61.949 62.100 -0.396 0.000 0.950 706 T CB 1.173 69.497 68.868 -0.907 0.000 1.223 706 T HN 1.191 nan 8.240 nan 0.000 0.585 707 A N -0.374 122.368 122.820 -0.130 0.000 2.168 707 A HA 0.160 4.492 4.320 0.020 0.000 0.215 707 A C 1.778 179.491 177.584 0.214 0.000 1.152 707 A CA 0.914 53.002 52.037 0.085 0.000 0.716 707 A CB -0.892 18.214 19.000 0.177 0.000 0.794 707 A HN 0.921 nan 8.150 nan 0.000 0.465 708 W N -1.225 120.135 121.300 0.100 0.000 3.471 708 W HA 0.285 4.958 4.660 0.021 0.000 0.230 708 W C 0.543 177.039 176.519 -0.039 0.000 1.105 708 W CA 0.680 58.046 57.345 0.035 0.000 1.631 708 W CB -1.004 28.472 29.460 0.026 0.000 0.848 708 W HN 0.336 nan 8.180 nan 0.000 0.766 709 S N 1.291 116.331 115.700 -1.099 0.000 2.654 709 S HA 0.413 4.895 4.470 0.020 0.000 0.283 709 S C -0.402 173.918 174.600 -0.468 0.000 1.180 709 S CA -0.323 57.317 58.200 -0.933 0.000 1.021 709 S CB 2.654 64.913 63.200 -1.568 0.000 1.018 709 S HN 0.172 nan 8.310 nan 0.000 0.532 710 E N 0.169 120.220 120.200 -0.249 0.000 2.322 710 E HA 0.612 4.973 4.350 0.020 0.000 0.257 710 E C -0.298 176.264 176.600 -0.064 0.000 1.155 710 E CA -0.763 55.576 56.400 -0.103 0.000 0.936 710 E CB 1.106 30.798 29.700 -0.015 0.000 1.130 710 E HN 0.874 nan 8.360 nan 0.000 0.465 711 A N 0.274 123.074 122.820 -0.034 0.000 2.328 711 A HA 0.526 4.858 4.320 0.020 0.000 0.284 711 A C 0.636 178.230 177.584 0.017 0.000 1.160 711 A CA 0.350 52.377 52.037 -0.016 0.000 0.818 711 A CB 0.128 19.113 19.000 -0.025 0.000 1.087 711 A HN 0.755 nan 8.150 nan 0.000 0.504 712 G N 1.104 109.923 108.800 0.031 0.000 2.132 712 G HA2 -0.207 3.764 3.960 0.020 0.000 0.228 712 G HA3 -0.207 3.764 3.960 0.020 0.000 0.228 712 G C 0.079 175.008 174.900 0.049 0.000 1.000 712 G CA 0.489 45.604 45.100 0.025 0.000 0.693 712 G HN 1.630 nan 8.290 nan 0.000 0.515 713 H N 0.139 119.213 119.070 0.007 0.000 2.764 713 H HA 0.553 5.121 4.556 0.020 0.000 0.341 713 H C 0.636 176.032 175.328 0.113 0.000 1.072 713 H CA -0.207 55.868 56.048 0.045 0.000 1.444 713 H CB 0.346 30.109 29.762 0.002 0.000 1.458 713 H HN 0.244 nan 8.280 nan 0.000 0.572 714 I N 4.839 124.957 120.570 -0.754 0.000 2.304 714 I HA 0.024 4.205 4.170 0.020 0.000 0.291 714 I C 1.085 177.036 176.117 -0.275 0.000 1.018 714 I CA 0.011 61.102 61.300 -0.348 0.000 1.260 714 I CB 1.366 39.296 38.000 -0.116 0.000 1.390 714 I HN 0.800 nan 8.210 nan 0.000 0.475 715 S N 4.728 120.505 115.700 0.128 0.000 2.458 715 S HA 0.432 4.914 4.470 0.020 0.000 0.223 715 S C 0.656 175.547 174.600 0.485 0.000 1.019 715 S CA 0.249 58.697 58.200 0.413 0.000 0.937 715 S CB 0.357 63.885 63.200 0.547 0.000 0.788 715 S HN 0.724 nan 8.310 nan 0.000 0.511 716 A N -0.025 123.109 122.820 0.522 0.000 2.566 716 A HA 0.627 4.959 4.320 0.020 0.000 0.290 716 A C -1.970 176.001 177.584 0.644 0.000 1.071 716 A CA -0.745 51.580 52.037 0.479 0.000 0.658 716 A CB 0.097 19.402 19.000 0.509 0.000 1.285 716 A HN 1.018 nan 8.150 nan 0.000 0.427 717 W N -0.745 120.756 121.300 0.334 0.000 3.059 717 W HA 0.762 5.435 4.660 0.021 0.000 0.329 717 W C -1.250 175.332 176.519 0.105 0.000 1.246 717 W CA -0.460 56.958 57.345 0.121 0.000 1.190 717 W CB 1.068 30.546 29.460 0.030 0.000 1.423 717 W HN 1.186 nan 8.180 nan 0.000 0.571 718 Q N 1.798 121.584 119.800 -0.023 0.000 2.426 718 Q HA 0.472 4.824 4.340 0.020 0.000 0.278 718 Q C -1.873 173.861 176.000 -0.443 0.000 1.007 718 Q CA -0.553 55.060 55.803 -0.316 0.000 0.850 718 Q CB 2.519 30.963 28.738 -0.489 0.000 1.427 718 Q HN 0.641 nan 8.270 nan 0.000 0.391 719 Q N 3.357 122.845 119.800 -0.519 0.000 2.353 719 Q HA 0.485 4.837 4.340 0.020 0.000 0.275 719 Q C -1.691 174.260 176.000 -0.081 0.000 1.029 719 Q CA -0.400 55.328 55.803 -0.125 0.000 0.848 719 Q CB 1.442 30.297 28.738 0.195 0.000 1.390 719 Q HN 0.785 nan 8.270 nan 0.000 0.401 720 W N 2.638 124.110 121.300 0.287 0.000 3.033 720 W HA 0.506 5.178 4.660 0.020 0.000 0.336 720 W C -0.113 176.329 176.519 -0.128 0.000 1.173 720 W CA -0.824 56.588 57.345 0.113 0.000 1.185 720 W CB 1.709 31.182 29.460 0.023 0.000 1.425 720 W HN 0.481 nan 8.180 nan 0.000 0.536 721 R N 1.908 122.166 120.500 -0.403 0.000 2.265 721 R HA 0.280 4.632 4.340 0.020 0.000 0.314 721 R C 0.848 176.895 176.300 -0.421 0.000 1.053 721 R CA -0.135 55.332 56.100 -1.055 0.000 0.931 721 R CB 0.857 30.428 30.300 -1.214 0.000 1.024 721 R HN 0.572 nan 8.270 nan 0.000 0.457 722 L N 2.472 123.496 121.223 -0.331 0.000 2.168 722 L HA 0.255 4.607 4.340 0.020 0.000 0.203 722 L C 0.606 177.374 176.870 -0.171 0.000 1.078 722 L CA 0.582 55.313 54.840 -0.181 0.000 0.780 722 L CB 0.117 42.113 42.059 -0.104 0.000 0.939 722 L HN 0.704 nan 8.230 nan 0.000 0.451 723 A N -0.106 122.598 122.820 -0.193 0.000 2.549 723 A HA 0.508 4.840 4.320 0.020 0.000 0.291 723 A C -1.572 175.936 177.584 -0.126 0.000 1.034 723 A CA -0.572 51.383 52.037 -0.138 0.000 0.655 723 A CB 1.116 20.065 19.000 -0.085 0.000 1.299 723 A HN 0.103 nan 8.150 nan 0.000 0.427 724 E N 1.155 121.304 120.200 -0.085 0.000 2.314 724 E HA 0.594 4.956 4.350 0.020 0.000 0.272 724 E C -1.672 174.918 176.600 -0.016 0.000 0.884 724 E CA -0.897 55.474 56.400 -0.048 0.000 0.753 724 E CB 1.784 31.450 29.700 -0.057 0.000 1.213 724 E HN 0.493 nan 8.360 nan 0.000 0.432 725 N N 3.530 122.236 118.700 0.010 0.000 2.372 725 N HA 0.332 5.084 4.740 0.020 0.000 0.285 725 N C -0.609 174.918 175.510 0.028 0.000 1.008 725 N CA -0.474 52.586 53.050 0.017 0.000 0.880 725 N CB 1.606 40.106 38.487 0.022 0.000 1.239 725 N HN 0.483 nan 8.380 nan 0.000 0.484 726 L N 0.709 121.945 121.223 0.023 0.000 2.397 726 L HA 0.169 4.521 4.340 0.020 0.000 0.271 726 L C 1.249 178.140 176.870 0.035 0.000 1.148 726 L CA -0.143 54.715 54.840 0.030 0.000 0.825 726 L CB 0.673 42.746 42.059 0.023 0.000 1.117 726 L HN 0.389 nan 8.230 nan 0.000 0.456 727 S N 1.825 117.551 115.700 0.043 0.000 2.701 727 S HA 0.174 4.656 4.470 0.020 0.000 0.317 727 S C 0.517 175.141 174.600 0.039 0.000 1.149 727 S CA -0.782 57.445 58.200 0.045 0.000 1.052 727 S CB 0.063 63.297 63.200 0.056 0.000 1.257 727 S HN 0.465 nan 8.310 nan 0.000 0.532 728 V N 3.197 123.130 119.914 0.033 0.000 3.252 728 V HA 0.357 4.489 4.120 0.020 0.000 0.350 728 V C 0.560 176.671 176.094 0.028 0.000 1.329 728 V CA -0.117 62.200 62.300 0.028 0.000 1.258 728 V CB -1.001 30.836 31.823 0.022 0.000 1.208 728 V HN 0.768 nan 8.190 nan 0.000 0.462 729 T N 0.502 115.075 114.554 0.033 0.000 2.882 729 T HA 0.696 5.058 4.350 0.020 0.000 0.287 729 T C -0.205 174.515 174.700 0.034 0.000 0.992 729 T CA -0.603 61.516 62.100 0.032 0.000 1.076 729 T CB 1.515 70.403 68.868 0.034 0.000 0.961 729 T HN 0.466 nan 8.240 nan 0.000 0.490 730 L N 2.613 123.854 121.223 0.030 0.000 2.417 730 L HA 0.420 4.772 4.340 0.020 0.000 0.258 730 L C -1.504 175.385 176.870 0.031 0.000 1.088 730 L CA -1.475 53.382 54.840 0.029 0.000 0.975 730 L CB -0.770 41.303 42.059 0.023 0.000 1.341 730 L HN 0.543 nan 8.230 nan 0.000 0.431 731 P HA -0.397 nan 4.420 nan 0.000 0.283 731 P C 0.084 177.411 177.300 0.045 0.000 0.832 731 P CA 1.847 64.975 63.100 0.046 0.000 0.963 731 P CB -0.650 31.078 31.700 0.046 0.000 0.930 732 A N -2.156 120.688 122.820 0.041 0.000 0.895 732 A HA 0.560 4.891 4.320 0.020 0.000 0.184 732 A C 0.027 177.628 177.584 0.029 0.000 1.103 732 A CA 0.174 52.230 52.037 0.033 0.000 0.872 732 A CB -0.743 18.289 19.000 0.054 0.000 0.421 732 A HN 1.174 nan 8.150 nan 0.000 0.445 733 A N 1.990 124.810 122.820 0.000 0.000 2.587 733 A HA 0.344 4.676 4.320 0.020 0.000 0.243 733 A C 0.931 178.523 177.584 0.013 0.000 0.998 733 A CA 1.276 53.309 52.037 -0.007 0.000 0.872 733 A CB -0.367 18.609 19.000 -0.040 0.000 0.859 733 A HN 2.052 nan 8.150 nan 0.000 0.458 734 S N 3.116 118.854 115.700 0.063 0.000 2.505 734 S HA 0.251 4.733 4.470 0.020 0.000 0.276 734 S C 1.017 175.708 174.600 0.152 0.000 1.274 734 S CA -0.155 58.135 58.200 0.150 0.000 1.053 734 S CB 0.375 63.641 63.200 0.110 0.000 0.919 734 S HN 0.754 nan 8.310 nan 0.000 0.490 735 H N 2.164 121.246 119.070 0.020 0.000 2.256 735 H HA 0.007 4.575 4.556 0.020 0.000 0.299 735 H C 1.351 176.690 175.328 0.018 0.000 1.071 735 H CA 0.885 56.943 56.048 0.017 0.000 1.280 735 H CB -0.162 29.610 29.762 0.016 0.000 1.370 735 H HN 0.707 nan 8.280 nan 0.000 0.490 736 A N 1.207 124.137 122.820 0.182 0.000 2.246 736 A HA 0.508 4.840 4.320 0.020 0.000 0.291 736 A C -0.066 177.568 177.584 0.084 0.000 1.103 736 A CA -0.337 51.759 52.037 0.098 0.000 0.844 736 A CB 0.477 19.517 19.000 0.067 0.000 1.136 736 A HN 0.385 nan 8.150 nan 0.000 0.500 737 I N -0.937 119.676 120.570 0.071 0.000 2.865 737 I HA 0.673 4.855 4.170 0.020 0.000 0.302 737 I C -2.830 173.342 176.117 0.091 0.000 1.140 737 I CA -2.267 59.075 61.300 0.070 0.000 1.021 737 I CB 2.577 40.610 38.000 0.056 0.000 1.233 737 I HN 0.364 nan 8.210 nan 0.000 0.427 738 P HA 0.240 nan 4.420 nan 0.000 0.280 738 P C -1.541 175.858 177.300 0.164 0.000 1.244 738 P CA 0.165 63.333 63.100 0.114 0.000 0.784 738 P CB 0.419 32.143 31.700 0.039 0.000 0.913 739 H N 2.796 121.911 119.070 0.075 0.000 2.458 739 H HA 0.479 5.047 4.556 0.020 0.000 0.330 739 H C -1.121 174.262 175.328 0.090 0.000 1.111 739 H CA -1.011 55.079 56.048 0.070 0.000 1.245 739 H CB 1.312 31.110 29.762 0.061 0.000 1.456 739 H HN 0.268 nan 8.280 nan 0.000 0.488 740 L N 4.596 125.658 121.223 -0.268 0.000 2.319 740 L HA 0.295 4.647 4.340 0.020 0.000 0.281 740 L C -0.823 175.880 176.870 -0.278 0.000 1.005 740 L CA -0.204 54.519 54.840 -0.196 0.000 0.828 740 L CB 1.751 43.798 42.059 -0.021 0.000 1.227 740 L HN 0.502 nan 8.230 nan 0.000 0.415 741 T N 4.006 118.451 114.554 -0.180 0.000 2.762 741 T HA 0.302 4.664 4.350 0.020 0.000 0.303 741 T C 0.101 174.833 174.700 0.053 0.000 0.977 741 T CA 0.015 62.060 62.100 -0.091 0.000 0.961 741 T CB 0.193 69.007 68.868 -0.090 0.000 0.944 741 T HN 0.761 nan 8.240 nan 0.000 0.481 742 T N 3.217 117.813 114.554 0.071 0.000 2.897 742 T HA 0.507 4.869 4.350 0.020 0.000 0.294 742 T C 0.208 174.875 174.700 -0.054 0.000 1.004 742 T CA -0.218 61.921 62.100 0.066 0.000 1.106 742 T CB 1.051 69.988 68.868 0.115 0.000 0.949 742 T HN 0.583 nan 8.240 nan 0.000 0.520 743 S N 0.900 116.493 115.700 -0.178 0.000 2.732 743 S HA 0.392 4.873 4.470 0.020 0.000 0.293 743 S C 0.722 175.201 174.600 -0.201 0.000 1.159 743 S CA -0.612 57.498 58.200 -0.149 0.000 0.847 743 S CB 1.454 64.589 63.200 -0.108 0.000 1.169 743 S HN 0.533 nan 8.310 nan 0.000 0.501 744 E N 0.394 120.514 120.200 -0.134 0.000 2.268 744 E HA 0.013 4.375 4.350 0.020 0.000 0.195 744 E C 0.844 177.351 176.600 -0.155 0.000 0.995 744 E CA 1.327 57.653 56.400 -0.124 0.000 0.836 744 E CB -0.228 29.429 29.700 -0.072 0.000 0.763 744 E HN 0.661 nan 8.360 nan 0.000 0.491 745 M N -2.162 117.336 119.600 -0.169 0.000 2.783 745 M HA 0.389 4.881 4.480 0.020 0.000 0.443 745 M C -0.855 175.351 176.300 -0.157 0.000 1.265 745 M CA -0.392 54.815 55.300 -0.155 0.000 0.844 745 M CB 0.935 33.491 32.600 -0.073 0.000 1.596 745 M HN -0.355 nan 8.290 nan 0.000 0.546 746 D N 0.239 120.500 120.400 -0.233 0.000 2.477 746 D HA 0.707 5.358 4.640 0.020 0.000 0.234 746 D C -1.537 174.600 176.300 -0.273 0.000 1.048 746 D CA -0.056 53.861 54.000 -0.138 0.000 0.959 746 D CB 1.917 42.704 40.800 -0.021 0.000 1.408 746 D HN 0.142 nan 8.370 nan 0.000 0.496 747 F N 0.643 120.666 119.950 0.122 0.000 2.671 747 F HA 0.302 4.841 4.527 0.020 0.000 0.332 747 F C -0.609 175.284 175.800 0.155 0.000 1.189 747 F CA -0.854 57.222 58.000 0.126 0.000 0.988 747 F CB 1.308 40.401 39.000 0.154 0.000 1.258 747 F HN 0.131 nan 8.300 nan 0.000 0.471 748 C N 4.718 124.182 119.300 0.274 0.000 2.330 748 C HA 0.698 5.170 4.460 0.020 0.000 0.344 748 C C -0.204 174.895 174.990 0.183 0.000 1.273 748 C CA -0.510 58.625 59.018 0.195 0.000 1.879 748 C CB -0.073 27.722 27.740 0.090 0.000 2.376 748 C HN 0.482 nan 8.230 nan 0.000 0.534 749 I N 4.176 124.911 120.570 0.276 0.000 2.439 749 I HA 0.413 4.595 4.170 0.020 0.000 0.285 749 I C -0.407 175.977 176.117 0.446 0.000 1.021 749 I CA -0.036 61.452 61.300 0.314 0.000 1.091 749 I CB 1.305 39.483 38.000 0.298 0.000 1.242 749 I HN 0.575 nan 8.210 nan 0.000 0.439 750 E N 6.640 127.018 120.200 0.296 0.000 2.248 750 E HA 0.869 5.231 4.350 0.020 0.000 0.267 750 E C -1.176 175.604 176.600 0.300 0.000 0.877 750 E CA -0.744 55.825 56.400 0.282 0.000 0.759 750 E CB 2.925 32.717 29.700 0.153 0.000 1.182 750 E HN 0.530 nan 8.360 nan 0.000 0.418 751 L N 1.287 122.697 121.223 0.312 0.000 2.591 751 L HA 0.650 5.002 4.340 0.020 0.000 0.257 751 L C 0.266 177.238 176.870 0.171 0.000 0.935 751 L CA -0.003 54.982 54.840 0.241 0.000 0.873 751 L CB 1.361 43.567 42.059 0.244 0.000 1.397 751 L HN 0.688 nan 8.230 nan 0.000 0.414 752 G N 3.657 112.515 108.800 0.096 0.000 2.596 752 G HA2 -0.406 3.566 3.960 0.020 0.000 0.295 752 G HA3 -0.406 3.566 3.960 0.020 0.000 0.295 752 G C 0.444 175.351 174.900 0.011 0.000 1.240 752 G CA 0.689 45.814 45.100 0.042 0.000 0.985 752 G HN 1.209 nan 8.290 nan 0.000 0.555 753 N N 0.837 119.523 118.700 -0.022 0.000 2.416 753 N HA 0.031 4.783 4.740 0.020 0.000 0.177 753 N C 0.832 176.288 175.510 -0.089 0.000 1.036 753 N CA 1.253 54.270 53.050 -0.054 0.000 0.901 753 N CB -0.078 38.374 38.487 -0.058 0.000 0.976 753 N HN 0.776 nan 8.380 nan 0.000 0.444 754 K N 0.797 121.130 120.400 -0.113 0.000 2.295 754 K HA 0.236 4.568 4.320 0.020 0.000 0.270 754 K C 0.314 176.718 176.600 -0.326 0.000 1.011 754 K CA -0.248 55.862 56.287 -0.295 0.000 0.953 754 K CB 1.000 33.289 32.500 -0.353 0.000 0.956 754 K HN 0.196 nan 8.250 nan 0.000 0.477 755 R N 2.166 122.284 120.500 -0.636 0.000 2.604 755 R HA 0.229 4.581 4.340 0.020 0.000 0.261 755 R C -1.875 174.174 176.300 -0.417 0.000 1.080 755 R CA -0.705 55.209 56.100 -0.310 0.000 0.917 755 R CB 1.097 31.382 30.300 -0.025 0.000 1.252 755 R HN 0.656 nan 8.270 nan 0.000 0.456 756 W N 3.428 124.756 121.300 0.047 0.000 2.632 756 W HA 0.360 5.032 4.660 0.020 0.000 0.328 756 W C -0.523 175.948 176.519 -0.080 0.000 1.044 756 W CA -0.857 56.424 57.345 -0.106 0.000 1.225 756 W CB 2.103 31.425 29.460 -0.230 0.000 1.396 756 W HN 0.514 nan 8.180 nan 0.000 0.499 757 Q N 2.801 122.599 119.800 -0.003 0.000 2.325 757 Q HA 0.399 4.751 4.340 0.020 0.000 0.270 757 Q C -2.038 173.847 176.000 -0.192 0.000 1.020 757 Q CA -0.499 55.325 55.803 0.034 0.000 0.785 757 Q CB 1.336 30.177 28.738 0.173 0.000 1.259 757 Q HN 0.434 nan 8.270 nan 0.000 0.452 758 F N 3.194 123.248 119.950 0.173 0.000 2.375 758 F HA 0.270 4.809 4.527 0.020 0.000 0.361 758 F C 0.568 176.456 175.800 0.146 0.000 1.117 758 F CA -0.961 57.121 58.000 0.137 0.000 1.037 758 F CB 1.135 40.194 39.000 0.098 0.000 1.192 758 F HN 0.515 nan 8.300 nan 0.000 0.452 759 N N 3.677 122.532 118.700 0.258 0.000 2.427 759 N HA 0.010 4.762 4.740 0.020 0.000 0.269 759 N C 1.097 176.698 175.510 0.153 0.000 1.235 759 N CA 0.294 53.443 53.050 0.166 0.000 0.934 759 N CB 0.515 39.094 38.487 0.154 0.000 1.121 759 N HN 0.629 nan 8.380 nan 0.000 0.480 760 R N 2.504 123.046 120.500 0.069 0.000 2.293 760 R HA -0.115 4.237 4.340 0.020 0.000 0.219 760 R C 1.079 177.383 176.300 0.006 0.000 1.091 760 R CA 1.108 57.223 56.100 0.025 0.000 1.004 760 R CB 0.252 30.451 30.300 -0.168 0.000 0.865 760 R HN 0.675 nan 8.270 nan 0.000 0.469 761 Q N -0.993 118.814 119.800 0.011 0.000 2.390 761 Q HA -0.006 4.345 4.340 0.020 0.000 0.216 761 Q C 2.080 178.071 176.000 -0.014 0.000 0.916 761 Q CA 1.110 56.908 55.803 -0.007 0.000 0.911 761 Q CB 0.596 29.336 28.738 0.003 0.000 1.035 761 Q HN 0.266 nan 8.270 nan 0.000 0.541 762 S N -1.356 114.363 115.700 0.032 0.000 2.425 762 S HA 0.113 4.595 4.470 0.020 0.000 0.225 762 S C 1.558 176.053 174.600 -0.175 0.000 1.024 762 S CA 0.727 58.949 58.200 0.036 0.000 0.951 762 S CB 0.299 63.652 63.200 0.255 0.000 0.796 762 S HN 0.472 nan 8.310 nan 0.000 0.498 763 G N 0.270 109.018 108.800 -0.087 0.000 2.141 763 G HA2 -0.199 3.773 3.960 0.020 0.000 0.242 763 G HA3 -0.199 3.773 3.960 0.020 0.000 0.242 763 G C -0.127 174.738 174.900 -0.058 0.000 0.982 763 G CA 0.127 45.172 45.100 -0.091 0.000 0.662 763 G HN 0.546 nan 8.290 nan 0.000 0.527 764 F N -0.560 119.570 119.950 0.301 0.000 2.495 764 F HA 0.611 5.150 4.527 0.020 0.000 0.327 764 F C 0.604 176.567 175.800 0.270 0.000 1.103 764 F CA -1.409 56.762 58.000 0.285 0.000 0.949 764 F CB 1.668 40.783 39.000 0.193 0.000 1.142 764 F HN 0.063 nan 8.300 nan 0.000 0.457 765 L N 2.883 124.403 121.223 0.496 0.000 2.660 765 L HA 0.024 4.376 4.340 0.020 0.000 0.272 765 L C 0.752 177.620 176.870 -0.004 0.000 1.194 765 L CA 0.788 55.555 54.840 -0.122 0.000 0.945 765 L CB 0.359 42.275 42.059 -0.239 0.000 1.212 765 L HN 0.759 nan 8.230 nan 0.000 0.490 766 S N 2.267 117.919 115.700 -0.080 0.000 2.506 766 S HA 0.285 4.767 4.470 0.020 0.000 0.219 766 S C 0.330 174.825 174.600 -0.175 0.000 1.031 766 S CA -0.252 57.919 58.200 -0.048 0.000 0.911 766 S CB 0.264 63.478 63.200 0.024 0.000 0.812 766 S HN 0.648 nan 8.310 nan 0.000 0.497 767 Q N 0.323 119.953 119.800 -0.284 0.000 2.403 767 Q HA 0.489 4.841 4.340 0.020 0.000 0.267 767 Q C -1.994 173.637 176.000 -0.614 0.000 0.991 767 Q CA -0.104 55.385 55.803 -0.523 0.000 0.906 767 Q CB 1.641 29.976 28.738 -0.671 0.000 1.422 767 Q HN 0.254 nan 8.270 nan 0.000 0.400 768 M N 3.293 122.442 119.600 -0.752 0.000 2.125 768 M HA 0.448 4.939 4.480 0.020 0.000 0.321 768 M C -1.523 174.345 176.300 -0.720 0.000 0.983 768 M CA -0.173 54.697 55.300 -0.717 0.000 0.934 768 M CB 1.024 33.235 32.600 -0.649 0.000 1.542 768 M HN 0.582 nan 8.290 nan 0.000 0.424 769 W N 5.701 126.712 121.300 -0.482 0.000 2.573 769 W HA 0.536 5.208 4.660 0.020 0.000 0.326 769 W C -0.862 175.422 176.519 -0.392 0.000 1.049 769 W CA -0.663 56.472 57.345 -0.350 0.000 1.220 769 W CB 1.662 30.962 29.460 -0.267 0.000 1.373 769 W HN 0.500 nan 8.180 nan 0.000 0.507 770 I N 3.610 124.156 120.570 -0.039 0.000 2.437 770 I HA 0.387 4.569 4.170 0.020 0.000 0.279 770 I C 0.731 176.828 176.117 -0.033 0.000 1.028 770 I CA 0.081 61.319 61.300 -0.104 0.000 1.142 770 I CB 0.943 38.857 38.000 -0.143 0.000 1.266 770 I HN 0.689 nan 8.210 nan 0.000 0.461 771 G N 5.683 114.461 108.800 -0.036 0.000 2.512 771 G HA2 -0.293 3.679 3.960 0.020 0.000 0.240 771 G HA3 -0.293 3.679 3.960 0.020 0.000 0.240 771 G C 0.109 175.011 174.900 0.003 0.000 1.246 771 G CA 0.429 45.512 45.100 -0.029 0.000 0.919 771 G HN 0.674 nan 8.290 nan 0.000 0.577 772 D N 1.177 121.585 120.400 0.012 0.000 2.323 772 D HA 0.141 4.793 4.640 0.020 0.000 0.209 772 D C 0.854 177.279 176.300 0.208 0.000 0.973 772 D CA 0.840 54.858 54.000 0.030 0.000 0.874 772 D CB 0.071 40.867 40.800 -0.007 0.000 0.930 772 D HN 0.542 nan 8.370 nan 0.000 0.521 773 K N 1.402 121.906 120.400 0.172 0.000 2.339 773 K HA 0.247 4.579 4.320 0.020 0.000 0.286 773 K C -0.123 176.515 176.600 0.063 0.000 1.050 773 K CA -0.347 56.013 56.287 0.121 0.000 0.956 773 K CB 1.148 33.657 32.500 0.015 0.000 0.990 773 K HN -0.057 nan 8.250 nan 0.000 0.475 774 K N 2.346 122.661 120.400 -0.142 0.000 2.276 774 K HA 0.035 4.367 4.320 0.020 0.000 0.283 774 K C 1.110 177.504 176.600 -0.344 0.000 1.044 774 K CA -0.143 55.811 56.287 -0.554 0.000 0.944 774 K CB 0.791 32.981 32.500 -0.517 0.000 1.012 774 K HN 0.354 nan 8.250 nan 0.000 0.472 775 Q N 1.501 121.062 119.800 -0.398 0.000 2.373 775 Q HA 0.166 4.518 4.340 0.020 0.000 0.210 775 Q C 0.097 175.989 176.000 -0.181 0.000 0.913 775 Q CA 0.631 56.312 55.803 -0.203 0.000 0.911 775 Q CB 0.346 28.996 28.738 -0.146 0.000 1.040 775 Q HN 0.516 nan 8.270 nan 0.000 0.521 776 L N 0.885 121.943 121.223 -0.275 0.000 2.322 776 L HA 0.308 4.660 4.340 0.020 0.000 0.279 776 L C 1.164 177.901 176.870 -0.222 0.000 1.036 776 L CA -0.284 54.425 54.840 -0.218 0.000 0.807 776 L CB 1.171 43.100 42.059 -0.216 0.000 1.226 776 L HN -0.012 nan 8.230 nan 0.000 0.433 777 L N 0.594 121.686 121.223 -0.218 0.000 2.500 777 L HA 0.209 4.561 4.340 0.020 0.000 0.219 777 L C 0.109 176.870 176.870 -0.182 0.000 1.057 777 L CA 0.597 55.314 54.840 -0.204 0.000 0.854 777 L CB 0.595 42.510 42.059 -0.240 0.000 1.078 777 L HN 0.622 nan 8.230 nan 0.000 0.480 778 T N 0.610 115.035 114.554 -0.216 0.000 2.886 778 T HA 0.402 4.764 4.350 0.020 0.000 0.292 778 T C -2.548 172.085 174.700 -0.111 0.000 1.012 778 T CA -1.276 60.736 62.100 -0.146 0.000 0.982 778 T CB 2.387 71.151 68.868 -0.174 0.000 1.018 778 T HN -0.215 nan 8.240 nan 0.000 0.451 779 P HA 0.176 nan 4.420 nan 0.000 0.273 779 P C -0.739 176.531 177.300 -0.050 0.000 1.258 779 P CA -0.650 62.422 63.100 -0.047 0.000 0.802 779 P CB 0.510 32.196 31.700 -0.024 0.000 1.040 780 L N 0.388 121.607 121.223 -0.008 0.000 2.295 780 L HA 0.426 4.778 4.340 0.020 0.000 0.281 780 L C -0.119 176.690 176.870 -0.102 0.000 1.018 780 L CA -0.138 54.718 54.840 0.027 0.000 0.841 780 L CB 0.468 42.660 42.059 0.221 0.000 1.218 780 L HN 0.242 nan 8.230 nan 0.000 0.424 781 R N 2.742 123.094 120.500 -0.247 0.000 2.873 781 R HA 0.476 4.828 4.340 0.020 0.000 0.264 781 R C -0.717 175.468 176.300 -0.191 0.000 1.026 781 R CA -1.023 54.800 56.100 -0.461 0.000 1.002 781 R CB 1.151 31.053 30.300 -0.663 0.000 1.174 781 R HN 0.540 nan 8.270 nan 0.000 0.488 782 D N 1.359 121.699 120.400 -0.100 0.000 2.364 782 D HA -0.032 4.619 4.640 0.020 0.000 0.236 782 D C -0.460 175.447 176.300 -0.654 0.000 1.221 782 D CA 0.904 54.724 54.000 -0.299 0.000 0.891 782 D CB 0.869 41.548 40.800 -0.202 0.000 1.190 782 D HN 0.260 nan 8.370 nan 0.000 0.449 783 Q N 0.380 119.524 119.800 -1.093 0.000 2.284 783 Q HA 0.250 4.602 4.340 0.020 0.000 0.269 783 Q C -0.766 174.359 176.000 -1.459 0.000 1.026 783 Q CA -0.481 54.689 55.803 -1.055 0.000 0.831 783 Q CB 1.162 29.579 28.738 -0.534 0.000 1.322 783 Q HN 0.409 nan 8.270 nan 0.000 0.419 784 F N -0.397 119.162 119.950 -0.651 0.000 2.784 784 F HA 0.176 4.715 4.527 0.020 0.000 0.323 784 F C 0.970 176.349 175.800 -0.702 0.000 1.085 784 F CA -0.226 57.280 58.000 -0.823 0.000 1.196 784 F CB 1.435 39.562 39.000 -1.455 0.000 1.053 784 F HN 0.423 nan 8.300 nan 0.000 0.578 785 T N -0.489 113.730 114.554 -0.558 0.000 2.940 785 T HA 0.693 5.055 4.350 0.020 0.000 0.288 785 T C -0.568 173.867 174.700 -0.443 0.000 1.045 785 T CA -0.839 60.867 62.100 -0.656 0.000 1.018 785 T CB 2.791 71.105 68.868 -0.923 0.000 1.151 785 T HN 0.223 nan 8.240 nan 0.000 0.529 786 R N 0.184 120.456 120.500 -0.381 0.000 2.808 786 R HA 0.733 5.085 4.340 0.020 0.000 0.272 786 R C -1.158 175.181 176.300 0.066 0.000 0.995 786 R CA -1.047 54.974 56.100 -0.133 0.000 0.917 786 R CB 1.608 31.855 30.300 -0.089 0.000 1.217 786 R HN 0.854 nan 8.270 nan 0.000 0.471 787 A N 3.426 126.285 122.820 0.064 0.000 2.396 787 A HA 0.360 4.692 4.320 0.020 0.000 0.279 787 A C -2.077 175.571 177.584 0.106 0.000 1.165 787 A CA -1.637 50.450 52.037 0.082 0.000 0.824 787 A CB -0.179 18.817 19.000 -0.007 0.000 1.100 787 A HN 0.538 nan 8.150 nan 0.000 0.516 788 P HA 0.029 nan 4.420 nan 0.000 0.261 788 P C -0.419 176.994 177.300 0.188 0.000 1.173 788 P CA 0.682 63.923 63.100 0.236 0.000 0.760 788 P CB 0.247 32.105 31.700 0.262 0.000 0.783 789 L N 2.817 124.135 121.223 0.157 0.000 2.399 789 L HA 0.191 4.543 4.340 0.020 0.000 0.266 789 L C 1.815 178.742 176.870 0.096 0.000 1.114 789 L CA -0.556 54.329 54.840 0.076 0.000 0.804 789 L CB 0.164 42.192 42.059 -0.051 0.000 1.146 789 L HN 0.286 nan 8.230 nan 0.000 0.451 790 D N 0.942 121.354 120.400 0.021 0.000 2.149 790 D HA -0.190 4.462 4.640 0.020 0.000 0.194 790 D C 1.593 177.842 176.300 -0.086 0.000 1.001 790 D CA 1.559 55.471 54.000 -0.147 0.000 0.849 790 D CB 0.118 40.739 40.800 -0.299 0.000 0.939 790 D HN 0.528 nan 8.370 nan 0.000 0.449 791 N N 0.985 119.648 118.700 -0.062 0.000 2.120 791 N HA -0.122 4.630 4.740 0.020 0.000 0.188 791 N C 1.236 176.773 175.510 0.044 0.000 1.024 791 N CA 0.951 53.987 53.050 -0.023 0.000 0.852 791 N CB -0.331 38.123 38.487 -0.055 0.000 1.003 791 N HN 0.274 nan 8.380 nan 0.000 0.424 792 D N 0.209 120.656 120.400 0.078 0.000 2.224 792 D HA -0.010 4.642 4.640 0.020 0.000 0.205 792 D C 2.015 178.403 176.300 0.147 0.000 0.965 792 D CA 0.452 54.545 54.000 0.154 0.000 0.852 792 D CB 0.033 40.996 40.800 0.273 0.000 0.947 792 D HN 0.346 nan 8.370 nan 0.000 0.494 793 I N 0.154 120.792 120.570 0.113 0.000 2.260 793 I HA 0.055 4.237 4.170 0.020 0.000 0.237 793 I C 1.985 178.153 176.117 0.084 0.000 1.075 793 I CA 0.971 62.327 61.300 0.093 0.000 1.376 793 I CB -0.431 37.606 38.000 0.062 0.000 1.107 793 I HN 0.147 nan 8.210 nan 0.000 0.420 794 G N 0.857 109.723 108.800 0.110 0.000 2.650 794 G HA2 -0.296 3.676 3.960 0.020 0.000 0.264 794 G HA3 -0.296 3.676 3.960 0.020 0.000 0.264 794 G C 0.443 175.515 174.900 0.288 0.000 1.263 794 G CA 0.454 45.672 45.100 0.196 0.000 0.960 794 G HN 0.638 nan 8.290 nan 0.000 0.548 795 V N -2.598 117.403 119.914 0.144 0.000 3.070 795 V HA 0.727 4.859 4.120 0.020 0.000 0.345 795 V C 0.706 176.817 176.094 0.028 0.000 1.403 795 V CA 0.904 63.239 62.300 0.059 0.000 1.155 795 V CB 0.595 32.374 31.823 -0.073 0.000 1.140 795 V HN 1.085 nan 8.190 nan 0.000 0.505 796 S N 1.714 117.444 115.700 0.051 0.000 2.414 796 S HA 0.421 4.903 4.470 0.020 0.000 0.290 796 S C 0.044 174.668 174.600 0.039 0.000 1.160 796 S CA 0.031 58.250 58.200 0.031 0.000 1.069 796 S CB 0.239 63.457 63.200 0.030 0.000 1.012 796 S HN 0.774 nan 8.310 nan 0.000 0.510 797 E N 1.946 122.161 120.200 0.026 0.000 2.239 797 E HA 0.618 4.980 4.350 0.020 0.000 0.261 797 E C 0.756 177.376 176.600 0.033 0.000 1.016 797 E CA -0.338 56.083 56.400 0.034 0.000 0.882 797 E CB 0.905 30.618 29.700 0.022 0.000 1.190 797 E HN 0.570 nan 8.360 nan 0.000 0.415 798 A N 0.423 123.269 122.820 0.043 0.000 2.119 798 A HA -0.110 4.222 4.320 0.020 0.000 0.217 798 A C 1.869 179.470 177.584 0.028 0.000 1.153 798 A CA 1.839 53.899 52.037 0.039 0.000 0.692 798 A CB -0.492 18.537 19.000 0.049 0.000 0.799 798 A HN 0.560 nan 8.150 nan 0.000 0.458 799 T N -2.763 111.805 114.554 0.023 0.000 3.022 799 T HA 0.193 4.555 4.350 0.020 0.000 0.250 799 T C 0.717 175.418 174.700 0.002 0.000 1.060 799 T CA 0.002 62.111 62.100 0.013 0.000 1.013 799 T CB -0.084 68.792 68.868 0.014 0.000 0.982 799 T HN 0.282 nan 8.240 nan 0.000 0.508 800 R N 1.401 121.900 120.500 -0.002 0.000 2.797 800 R HA 0.318 4.670 4.340 0.020 0.000 0.274 800 R C -1.393 174.899 176.300 -0.012 0.000 1.652 800 R CA -0.626 55.465 56.100 -0.014 0.000 1.175 800 R CB 0.570 30.853 30.300 -0.029 0.000 1.283 800 R HN 0.233 nan 8.270 nan 0.000 0.513 801 I N 2.386 122.950 120.570 -0.010 0.000 2.556 801 I HA 0.002 4.184 4.170 0.020 0.000 0.284 801 I C 0.402 176.505 176.117 -0.022 0.000 1.114 801 I CA 0.095 61.389 61.300 -0.010 0.000 1.418 801 I CB 0.840 38.835 38.000 -0.007 0.000 1.394 801 I HN 0.449 nan 8.210 nan 0.000 0.552 802 D N 9.650 130.036 120.400 -0.024 0.000 2.485 802 D HA 0.291 4.942 4.640 0.020 0.000 0.229 802 D C -1.667 174.597 176.300 -0.060 0.000 1.101 802 D CA -2.140 51.837 54.000 -0.038 0.000 0.906 802 D CB 1.473 42.256 40.800 -0.029 0.000 1.019 802 D HN 0.183 nan 8.370 nan 0.000 0.516 803 P HA -0.137 nan 4.420 nan 0.000 0.218 803 P C 0.331 177.540 177.300 -0.152 0.000 1.146 803 P CA 1.088 64.134 63.100 -0.091 0.000 0.813 803 P CB 0.261 31.915 31.700 -0.077 0.000 0.778 804 N N -0.099 118.503 118.700 -0.163 0.000 2.416 804 N HA 0.107 4.859 4.740 0.020 0.000 0.177 804 N C 0.749 176.062 175.510 -0.328 0.000 1.036 804 N CA 0.107 53.008 53.050 -0.248 0.000 0.901 804 N CB -0.573 37.797 38.487 -0.195 0.000 0.976 804 N HN 0.026 nan 8.380 nan 0.000 0.444 805 A N 0.546 123.243 122.820 -0.206 0.000 2.580 805 A HA -0.103 4.229 4.320 0.020 0.000 0.244 805 A C 0.500 177.925 177.584 -0.265 0.000 1.045 805 A CA 0.001 51.943 52.037 -0.159 0.000 0.761 805 A CB -0.168 18.798 19.000 -0.057 0.000 0.962 805 A HN 0.478 nan 8.150 nan 0.000 0.512 806 W N 2.137 123.226 121.300 -0.351 0.000 2.317 806 W HA -0.206 4.465 4.660 0.019 0.000 0.318 806 W C 2.330 178.403 176.519 -0.743 0.000 1.227 806 W CA 2.007 58.901 57.345 -0.751 0.000 1.269 806 W CB -0.474 28.419 29.460 -0.946 0.000 1.155 806 W HN 0.654 nan 8.180 nan 0.000 0.484 807 V N 0.885 120.809 119.914 0.018 0.000 2.332 807 V HA -0.305 3.827 4.120 0.020 0.000 0.248 807 V C 2.194 178.395 176.094 0.178 0.000 1.055 807 V CA 2.403 64.880 62.300 0.295 0.000 1.038 807 V CB -0.482 31.509 31.823 0.281 0.000 0.651 807 V HN 0.078 nan 8.190 nan 0.000 0.450 808 E N 0.290 120.508 120.200 0.030 0.000 2.070 808 E HA -0.254 4.108 4.350 0.020 0.000 0.197 808 E C 2.337 178.922 176.600 -0.024 0.000 1.004 808 E CA 1.959 58.357 56.400 -0.002 0.000 0.805 808 E CB -0.451 29.219 29.700 -0.049 0.000 0.744 808 E HN 0.661 nan 8.360 nan 0.000 0.451 809 R N -0.441 119.968 120.500 -0.152 0.000 2.082 809 R HA -0.153 4.198 4.340 0.020 0.000 0.234 809 R C 2.407 178.674 176.300 -0.056 0.000 1.136 809 R CA 1.677 57.656 56.100 -0.202 0.000 0.935 809 R CB -0.343 29.694 30.300 -0.439 0.000 0.842 809 R HN 0.256 nan 8.270 nan 0.000 0.430 810 W N 1.399 122.695 121.300 -0.006 0.000 2.317 810 W HA -0.199 4.473 4.660 0.020 0.000 0.318 810 W C 2.104 178.702 176.519 0.132 0.000 1.227 810 W CA 0.973 58.286 57.345 -0.054 0.000 1.269 810 W CB -1.012 28.600 29.460 0.254 0.000 1.155 810 W HN 0.158 nan 8.180 nan 0.000 0.484 811 K N -0.049 120.636 120.400 0.475 0.000 2.000 811 K HA -0.200 4.132 4.320 0.020 0.000 0.218 811 K C 2.179 178.884 176.600 0.176 0.000 1.053 811 K CA 2.439 58.907 56.287 0.302 0.000 0.946 811 K CB -0.854 31.733 32.500 0.146 0.000 0.723 811 K HN 0.022 nan 8.250 nan 0.000 0.446 812 A N 0.466 123.348 122.820 0.104 0.000 2.131 812 A HA -0.134 4.198 4.320 0.020 0.000 0.220 812 A C 2.029 179.632 177.584 0.032 0.000 1.158 812 A CA 1.945 54.018 52.037 0.060 0.000 0.665 812 A CB -0.525 18.488 19.000 0.022 0.000 0.795 812 A HN 0.433 nan 8.150 nan 0.000 0.460 813 A N -2.338 120.492 122.820 0.017 0.000 2.169 813 A HA 0.447 4.779 4.320 0.020 0.000 0.210 813 A C 1.724 179.214 177.584 -0.156 0.000 1.168 813 A CA 1.119 53.147 52.037 -0.015 0.000 0.813 813 A CB -0.441 18.563 19.000 0.006 0.000 0.861 813 A HN 1.857 nan 8.150 nan 0.000 0.481 814 G N -1.170 107.554 108.800 -0.126 0.000 2.142 814 G HA2 -0.263 3.709 3.960 0.020 0.000 0.225 814 G HA3 -0.263 3.709 3.960 0.020 0.000 0.225 814 G C 0.561 175.536 174.900 0.126 0.000 1.015 814 G CA 0.559 45.480 45.100 -0.299 0.000 0.716 814 G HN 0.673 nan 8.290 nan 0.000 0.508 815 H N -1.244 117.873 119.070 0.079 0.000 2.352 815 H HA -0.118 4.450 4.556 0.020 0.000 0.299 815 H C 1.964 177.307 175.328 0.024 0.000 1.097 815 H CA 1.778 57.865 56.048 0.065 0.000 1.311 815 H CB 0.133 29.870 29.762 -0.042 0.000 1.377 815 H HN 0.613 nan 8.280 nan 0.000 0.504 816 Y N 0.707 121.154 120.300 0.245 0.000 2.578 816 Y HA -0.032 4.530 4.550 0.020 0.000 0.297 816 Y C 1.473 177.482 175.900 0.181 0.000 1.176 816 Y CA 0.365 58.566 58.100 0.169 0.000 1.315 816 Y CB 0.278 38.820 38.460 0.137 0.000 1.031 816 Y HN 0.332 nan 8.280 nan 0.000 0.524 817 Q N -0.729 119.274 119.800 0.339 0.000 2.140 817 Q HA 0.397 4.749 4.340 0.020 0.000 0.227 817 Q C 0.662 176.887 176.000 0.374 0.000 0.798 817 Q CA -0.073 55.932 55.803 0.337 0.000 0.987 817 Q CB 0.496 29.440 28.738 0.342 0.000 1.161 817 Q HN 0.226 nan 8.270 nan 0.000 0.480 818 A N 2.470 125.527 122.820 0.395 0.000 2.547 818 A HA 0.027 4.359 4.320 0.020 0.000 0.233 818 A C 0.111 177.955 177.584 0.433 0.000 1.067 818 A CA 0.398 52.715 52.037 0.467 0.000 0.763 818 A CB 0.184 19.589 19.000 0.677 0.000 1.007 818 A HN 0.238 nan 8.150 nan 0.000 0.506 819 E N 1.262 121.646 120.200 0.306 0.000 2.145 819 E HA 0.493 4.855 4.350 0.020 0.000 0.262 819 E C -0.287 176.275 176.600 -0.064 0.000 0.883 819 E CA -0.532 55.954 56.400 0.144 0.000 0.748 819 E CB 1.460 31.222 29.700 0.104 0.000 1.140 819 E HN 0.748 nan 8.360 nan 0.000 0.417 820 A N 2.747 125.365 122.820 -0.336 0.000 2.445 820 A HA 0.505 4.837 4.320 0.020 0.000 0.242 820 A C -0.039 177.342 177.584 -0.339 0.000 1.075 820 A CA -0.034 51.480 52.037 -0.872 0.000 0.777 820 A CB 0.456 18.938 19.000 -0.865 0.000 1.013 820 A HN 0.686 nan 8.150 nan 0.000 0.493 821 A N 1.997 124.624 122.820 -0.323 0.000 2.357 821 A HA 0.554 4.886 4.320 0.020 0.000 0.295 821 A C -0.512 176.875 177.584 -0.328 0.000 1.121 821 A CA -0.597 51.314 52.037 -0.211 0.000 0.742 821 A CB 0.575 19.506 19.000 -0.115 0.000 1.181 821 A HN 1.317 nan 8.150 nan 0.000 0.454 822 L N 3.128 124.124 121.223 -0.379 0.000 2.615 822 L HA 0.109 4.461 4.340 0.020 0.000 0.271 822 L C 0.498 177.181 176.870 -0.311 0.000 1.183 822 L CA 0.703 55.230 54.840 -0.522 0.000 0.933 822 L CB -0.030 41.796 42.059 -0.388 0.000 1.199 822 L HN 0.790 nan 8.230 nan 0.000 0.487 823 L N 3.602 124.635 121.223 -0.315 0.000 2.537 823 L HA 0.286 4.638 4.340 0.020 0.000 0.224 823 L C 0.373 177.171 176.870 -0.121 0.000 1.065 823 L CA 0.071 54.816 54.840 -0.159 0.000 0.860 823 L CB 0.176 42.175 42.059 -0.100 0.000 1.086 823 L HN 0.792 nan 8.230 nan 0.000 0.482 824 Q N -0.664 119.043 119.800 -0.156 0.000 2.545 824 Q HA 0.331 4.682 4.340 0.020 0.000 0.273 824 Q C -1.988 173.959 176.000 -0.088 0.000 0.975 824 Q CA -0.611 55.140 55.803 -0.087 0.000 0.876 824 Q CB 2.817 31.529 28.738 -0.042 0.000 1.472 824 Q HN 0.002 nan 8.270 nan 0.000 0.389 825 C N 2.907 122.185 119.300 -0.035 0.000 3.029 825 C HA 0.711 5.183 4.460 0.020 0.000 0.396 825 C C -1.221 173.791 174.990 0.038 0.000 1.072 825 C CA 0.645 59.664 59.018 0.002 0.000 1.269 825 C CB 0.670 28.435 27.740 0.042 0.000 1.684 825 C HN 0.839 nan 8.230 nan 0.000 0.510 826 T N 2.533 117.036 114.554 -0.085 0.000 2.903 826 T HA 0.882 5.243 4.350 0.020 0.000 0.299 826 T C -0.394 174.020 174.700 -0.477 0.000 1.093 826 T CA -0.073 61.927 62.100 -0.166 0.000 1.002 826 T CB 1.894 70.699 68.868 -0.105 0.000 1.127 826 T HN 1.619 nan 8.240 nan 0.000 0.488 827 A N 2.049 124.461 122.820 -0.680 0.000 2.325 827 A HA 0.814 5.146 4.320 0.020 0.000 0.333 827 A C -0.835 176.556 177.584 -0.321 0.000 1.155 827 A CA -0.630 50.952 52.037 -0.759 0.000 0.814 827 A CB 0.947 19.232 19.000 -1.190 0.000 1.206 827 A HN 0.910 nan 8.150 nan 0.000 0.482 828 D N 0.409 120.666 120.400 -0.238 0.000 2.927 828 D HA 0.357 5.009 4.640 0.020 0.000 0.219 828 D C -1.361 174.884 176.300 -0.091 0.000 1.248 828 D CA -0.062 53.862 54.000 -0.126 0.000 0.861 828 D CB 2.223 42.965 40.800 -0.097 0.000 1.677 828 D HN 0.398 nan 8.370 nan 0.000 0.511 829 T N 2.073 116.598 114.554 -0.048 0.000 2.770 829 T HA 0.455 4.817 4.350 0.020 0.000 0.297 829 T C 0.731 175.423 174.700 -0.013 0.000 0.997 829 T CA -0.449 61.637 62.100 -0.022 0.000 0.949 829 T CB 0.683 69.554 68.868 0.005 0.000 0.941 829 T HN 0.098 nan 8.240 nan 0.000 0.457 830 L N 1.556 122.770 121.223 -0.015 0.000 2.469 830 L HA 0.552 4.904 4.340 0.020 0.000 0.253 830 L C 1.946 178.818 176.870 0.003 0.000 1.143 830 L CA -0.806 54.029 54.840 -0.008 0.000 0.804 830 L CB 0.265 42.317 42.059 -0.012 0.000 1.214 830 L HN 0.679 nan 8.230 nan 0.000 0.476 831 A N -0.081 122.742 122.820 0.005 0.000 1.968 831 A HA -0.130 4.202 4.320 0.020 0.000 0.217 831 A C 1.328 178.920 177.584 0.013 0.000 1.169 831 A CA 1.642 53.685 52.037 0.010 0.000 0.638 831 A CB -0.453 18.552 19.000 0.008 0.000 0.812 831 A HN 0.896 nan 8.150 nan 0.000 0.446 832 D N -1.683 118.723 120.400 0.010 0.000 2.454 832 D HA 0.486 5.138 4.640 0.020 0.000 0.214 832 D C 0.569 176.876 176.300 0.010 0.000 1.088 832 D CA 0.823 54.831 54.000 0.014 0.000 0.855 832 D CB 0.018 40.827 40.800 0.014 0.000 1.025 832 D HN 0.414 nan 8.370 nan 0.000 0.502 833 A N -0.093 122.726 122.820 -0.001 0.000 2.583 833 A HA 0.641 4.973 4.320 0.020 0.000 0.289 833 A C -1.377 176.190 177.584 -0.029 0.000 1.151 833 A CA -0.710 51.316 52.037 -0.019 0.000 0.695 833 A CB 1.535 20.518 19.000 -0.028 0.000 1.290 833 A HN -0.062 nan 8.150 nan 0.000 0.419 834 V N 0.736 120.618 119.914 -0.054 0.000 2.472 834 V HA 0.505 4.637 4.120 0.020 0.000 0.290 834 V C -0.783 175.256 176.094 -0.092 0.000 1.037 834 V CA -0.388 61.871 62.300 -0.070 0.000 0.908 834 V CB 1.314 33.095 31.823 -0.069 0.000 0.985 834 V HN 0.754 nan 8.190 nan 0.000 0.454 835 L N 6.910 128.069 121.223 -0.106 0.000 2.295 835 L HA 0.576 4.928 4.340 0.020 0.000 0.281 835 L C -0.602 176.157 176.870 -0.185 0.000 1.018 835 L CA -0.012 54.761 54.840 -0.112 0.000 0.841 835 L CB 0.874 42.887 42.059 -0.077 0.000 1.218 835 L HN 0.376 nan 8.230 nan 0.000 0.424 836 I N 4.061 124.508 120.570 -0.204 0.000 2.342 836 I HA 0.355 4.537 4.170 0.020 0.000 0.291 836 I C 0.415 176.450 176.117 -0.137 0.000 1.010 836 I CA -0.161 60.932 61.300 -0.345 0.000 1.308 836 I CB 0.929 38.430 38.000 -0.831 0.000 1.400 836 I HN 0.527 nan 8.210 nan 0.000 0.488 837 T N 5.871 120.322 114.554 -0.171 0.000 2.791 837 T HA 0.578 4.939 4.350 0.020 0.000 0.288 837 T C 0.167 174.858 174.700 -0.016 0.000 0.999 837 T CA -0.443 61.623 62.100 -0.056 0.000 0.952 837 T CB 1.007 69.838 68.868 -0.061 0.000 0.938 837 T HN 0.775 nan 8.240 nan 0.000 0.444 838 T N 0.314 114.925 114.554 0.094 0.000 2.916 838 T HA 0.897 5.259 4.350 0.020 0.000 0.292 838 T C -0.915 173.892 174.700 0.177 0.000 1.055 838 T CA -1.151 61.035 62.100 0.143 0.000 1.009 838 T CB 2.102 71.143 68.868 0.288 0.000 1.118 838 T HN 0.663 nan 8.240 nan 0.000 0.497 839 A N 1.575 124.482 122.820 0.145 0.000 2.480 839 A HA 0.691 5.022 4.320 0.020 0.000 0.289 839 A C -1.515 176.069 177.584 -0.000 0.000 1.044 839 A CA -0.801 51.332 52.037 0.160 0.000 0.761 839 A CB 0.716 19.750 19.000 0.057 0.000 1.289 839 A HN 0.943 nan 8.150 nan 0.000 0.401 840 H N 0.278 119.391 119.070 0.071 0.000 2.834 840 H HA 0.869 5.437 4.556 0.020 0.000 0.369 840 H C 0.005 175.366 175.328 0.055 0.000 1.174 840 H CA 0.077 56.077 56.048 -0.080 0.000 1.165 840 H CB 2.091 31.608 29.762 -0.407 0.000 1.820 840 H HN 1.036 nan 8.280 nan 0.000 0.558 841 A N 1.233 124.069 122.820 0.028 0.000 2.393 841 A HA 0.484 4.816 4.320 0.020 0.000 0.306 841 A C -1.445 176.226 177.584 0.144 0.000 1.050 841 A CA -0.719 51.431 52.037 0.188 0.000 0.724 841 A CB 1.221 20.279 19.000 0.096 0.000 1.248 841 A HN 0.556 nan 8.150 nan 0.000 0.424 842 W N 2.039 123.462 121.300 0.204 0.000 2.478 842 W HA 0.448 5.120 4.660 0.020 0.000 0.318 842 W C -0.258 176.296 176.519 0.057 0.000 1.062 842 W CA -0.341 57.131 57.345 0.212 0.000 1.210 842 W CB 1.796 31.498 29.460 0.403 0.000 1.325 842 W HN 0.748 nan 8.180 nan 0.000 0.496 843 Q N 1.460 121.419 119.800 0.265 0.000 2.633 843 Q HA 0.479 4.831 4.340 0.020 0.000 0.292 843 Q C -1.008 175.151 176.000 0.264 0.000 1.089 843 Q CA -0.961 54.949 55.803 0.177 0.000 0.811 843 Q CB 3.531 32.338 28.738 0.114 0.000 1.472 843 Q HN 0.447 nan 8.270 nan 0.000 0.464 844 H N 0.680 119.791 119.070 0.069 0.000 3.143 844 H HA 0.002 4.570 4.556 0.020 0.000 0.303 844 H C -1.286 174.079 175.328 0.061 0.000 1.109 844 H CA 0.015 56.112 56.048 0.081 0.000 1.494 844 H CB 0.885 30.711 29.762 0.106 0.000 2.132 844 H HN 0.715 nan 8.280 nan 0.000 0.433 845 Q N 2.955 122.641 119.800 -0.190 0.000 2.451 845 Q HA -0.167 4.185 4.340 0.020 0.000 0.305 845 Q C 1.166 177.176 176.000 0.016 0.000 1.345 845 Q CA 1.948 57.700 55.803 -0.084 0.000 0.854 845 Q CB -1.656 27.065 28.738 -0.029 0.000 1.162 845 Q HN 1.173 nan 8.270 nan 0.000 0.440 846 G N -1.050 107.761 108.800 0.017 0.000 2.180 846 G HA2 -0.413 3.559 3.960 0.020 0.000 0.263 846 G HA3 -0.413 3.559 3.960 0.020 0.000 0.263 846 G C 0.141 175.070 174.900 0.048 0.000 0.989 846 G CA 0.699 45.818 45.100 0.031 0.000 0.692 846 G HN 0.370 nan 8.290 nan 0.000 0.526 847 K N 0.829 121.274 120.400 0.076 0.000 2.183 847 K HA 0.446 4.778 4.320 0.020 0.000 0.274 847 K C -0.331 176.296 176.600 0.046 0.000 1.009 847 K CA -0.298 56.025 56.287 0.060 0.000 0.888 847 K CB 0.611 33.144 32.500 0.055 0.000 1.078 847 K HN 0.031 nan 8.250 nan 0.000 0.459 848 T N 5.937 120.505 114.554 0.023 0.000 2.739 848 T HA 0.193 4.554 4.350 0.020 0.000 0.298 848 T C 1.515 176.171 174.700 -0.072 0.000 0.929 848 T CA -0.318 61.791 62.100 0.015 0.000 1.014 848 T CB 0.351 69.244 68.868 0.042 0.000 0.914 848 T HN 0.484 nan 8.240 nan 0.000 0.509 849 L N 2.424 123.510 121.223 -0.228 0.000 2.084 849 L HA 0.308 4.660 4.340 0.020 0.000 0.202 849 L C 0.072 176.548 176.870 -0.656 0.000 1.074 849 L CA 0.930 55.402 54.840 -0.615 0.000 0.757 849 L CB -0.167 41.092 42.059 -1.333 0.000 0.918 849 L HN 0.496 nan 8.230 nan 0.000 0.444 850 F N -0.786 119.141 119.950 -0.038 0.000 2.588 850 F HA 0.653 5.192 4.527 0.020 0.000 0.314 850 F C -0.404 175.502 175.800 0.177 0.000 1.069 850 F CA -0.929 56.989 58.000 -0.137 0.000 0.931 850 F CB 1.756 40.293 39.000 -0.772 0.000 1.260 850 F HN -0.287 nan 8.300 nan 0.000 0.465 851 I N 1.383 122.158 120.570 0.341 0.000 2.499 851 I HA 0.359 4.541 4.170 0.020 0.000 0.288 851 I C -0.897 175.456 176.117 0.395 0.000 1.048 851 I CA -0.550 60.983 61.300 0.389 0.000 1.062 851 I CB 2.196 40.338 38.000 0.236 0.000 1.238 851 I HN 0.579 nan 8.210 nan 0.000 0.426 852 S N 6.436 122.496 115.700 0.601 0.000 2.530 852 S HA 0.526 5.008 4.470 0.020 0.000 0.322 852 S C -0.606 174.230 174.600 0.394 0.000 1.085 852 S CA -0.738 57.772 58.200 0.516 0.000 1.096 852 S CB 0.578 64.197 63.200 0.699 0.000 0.988 852 S HN 0.536 nan 8.310 nan 0.000 0.466 853 R N 4.128 124.770 120.500 0.236 0.000 2.272 853 R HA 0.407 4.758 4.340 0.020 0.000 0.323 853 R C -0.437 175.907 176.300 0.073 0.000 1.002 853 R CA -0.658 55.536 56.100 0.156 0.000 0.900 853 R CB 1.298 31.660 30.300 0.103 0.000 1.151 853 R HN 0.468 nan 8.270 nan 0.000 0.507 854 K N 0.870 121.326 120.400 0.093 0.000 2.416 854 K HA 0.505 4.837 4.320 0.020 0.000 0.244 854 K C 0.055 176.617 176.600 -0.063 0.000 1.044 854 K CA -0.673 55.589 56.287 -0.041 0.000 0.972 854 K CB 1.454 33.915 32.500 -0.064 0.000 1.286 854 K HN 0.556 nan 8.250 nan 0.000 0.500 855 T N -1.463 112.938 114.554 -0.255 0.000 3.291 855 T HA 0.413 4.775 4.350 0.020 0.000 0.344 855 T C -1.734 172.747 174.700 -0.366 0.000 1.293 855 T CA -0.904 61.100 62.100 -0.161 0.000 1.108 855 T CB 0.231 69.048 68.868 -0.086 0.000 1.231 855 T HN 0.365 nan 8.240 nan 0.000 0.474 856 Y N 1.483 121.713 120.300 -0.117 0.000 2.331 856 Y HA 0.692 5.254 4.550 0.020 0.000 0.334 856 Y C 0.469 176.297 175.900 -0.121 0.000 0.960 856 Y CA -1.189 56.857 58.100 -0.090 0.000 1.130 856 Y CB 1.829 40.221 38.460 -0.113 0.000 1.164 856 Y HN 0.816 nan 8.280 nan 0.000 0.458 857 R N 4.788 125.312 120.500 0.040 0.000 2.320 857 R HA 0.602 4.954 4.340 0.020 0.000 0.319 857 R C -1.652 174.614 176.300 -0.056 0.000 0.969 857 R CA -0.294 55.796 56.100 -0.017 0.000 0.857 857 R CB 0.431 30.721 30.300 -0.016 0.000 1.160 857 R HN 0.784 nan 8.270 nan 0.000 0.491 858 I N 5.003 125.494 120.570 -0.133 0.000 2.321 858 I HA 0.226 4.408 4.170 0.020 0.000 0.291 858 I C -0.368 175.660 176.117 -0.149 0.000 0.998 858 I CA -0.776 60.377 61.300 -0.246 0.000 1.227 858 I CB 1.364 39.026 38.000 -0.563 0.000 1.368 858 I HN 0.697 nan 8.210 nan 0.000 0.466 859 D N 4.006 124.350 120.400 -0.093 0.000 2.414 859 D HA 0.270 4.922 4.640 0.020 0.000 0.241 859 D C 1.180 177.481 176.300 0.002 0.000 1.008 859 D CA -0.795 53.187 54.000 -0.029 0.000 1.001 859 D CB 1.333 42.133 40.800 -0.000 0.000 1.277 859 D HN 0.506 nan 8.370 nan 0.000 0.538 860 G N -0.615 108.206 108.800 0.035 0.000 2.568 860 G HA2 -0.250 3.722 3.960 0.020 0.000 0.220 860 G HA3 -0.250 3.722 3.960 0.020 0.000 0.220 860 G C 0.975 175.920 174.900 0.075 0.000 1.104 860 G CA 0.959 46.098 45.100 0.065 0.000 0.738 860 G HN 0.438 nan 8.290 nan 0.000 0.574 861 S N -0.229 115.511 115.700 0.067 0.000 2.522 861 S HA 0.286 4.768 4.470 0.020 0.000 0.227 861 S C 1.850 176.498 174.600 0.079 0.000 0.986 861 S CA 0.746 58.989 58.200 0.071 0.000 0.929 861 S CB -0.013 63.228 63.200 0.069 0.000 0.769 861 S HN 1.370 nan 8.310 nan 0.000 0.529 862 G N 1.231 110.088 108.800 0.096 0.000 2.149 862 G HA2 -0.243 3.729 3.960 0.020 0.000 0.235 862 G HA3 -0.243 3.729 3.960 0.020 0.000 0.235 862 G C -0.293 174.712 174.900 0.176 0.000 1.018 862 G CA -0.247 44.962 45.100 0.181 0.000 0.728 862 G HN 0.498 nan 8.290 nan 0.000 0.508 863 Q N -0.636 119.214 119.800 0.083 0.000 2.322 863 Q HA 0.667 5.019 4.340 0.020 0.000 0.265 863 Q C 0.108 176.125 176.000 0.028 0.000 0.985 863 Q CA -0.634 55.223 55.803 0.091 0.000 0.849 863 Q CB 1.305 30.095 28.738 0.086 0.000 1.274 863 Q HN 0.434 nan 8.270 nan 0.000 0.449 864 M N 2.674 122.336 119.600 0.103 0.000 2.101 864 M HA 0.571 5.062 4.480 0.020 0.000 0.340 864 M C -1.373 175.039 176.300 0.188 0.000 1.057 864 M CA -0.459 54.894 55.300 0.088 0.000 0.984 864 M CB 0.859 33.500 32.600 0.068 0.000 1.560 864 M HN 0.673 nan 8.290 nan 0.000 0.435 865 A N 7.162 130.049 122.820 0.112 0.000 2.273 865 A HA 0.618 4.950 4.320 0.020 0.000 0.320 865 A C -0.754 176.833 177.584 0.006 0.000 1.358 865 A CA -0.666 51.424 52.037 0.089 0.000 0.910 865 A CB -0.024 19.013 19.000 0.061 0.000 1.159 865 A HN 0.919 nan 8.150 nan 0.000 0.526 866 I N 1.789 122.350 120.570 -0.016 0.000 2.365 866 I HA 0.315 4.497 4.170 0.020 0.000 0.291 866 I C 0.476 176.458 176.117 -0.226 0.000 1.004 866 I CA 0.157 61.311 61.300 -0.243 0.000 1.311 866 I CB 1.806 39.667 38.000 -0.233 0.000 1.401 866 I HN 0.442 nan 8.210 nan 0.000 0.491 867 T N 5.932 120.302 114.554 -0.308 0.000 2.786 867 T HA 0.537 4.899 4.350 0.020 0.000 0.283 867 T C -0.530 173.940 174.700 -0.383 0.000 0.992 867 T CA -0.389 61.553 62.100 -0.263 0.000 0.954 867 T CB 1.161 69.950 68.868 -0.130 0.000 0.934 867 T HN 0.221 nan 8.240 nan 0.000 0.440 868 V N 4.546 124.128 119.914 -0.553 0.000 2.495 868 V HA 0.499 4.631 4.120 0.020 0.000 0.298 868 V C -0.472 175.372 176.094 -0.417 0.000 1.031 868 V CA -0.869 61.102 62.300 -0.549 0.000 0.871 868 V CB 1.950 33.126 31.823 -1.079 0.000 0.988 868 V HN 0.837 nan 8.190 nan 0.000 0.432 869 D N 3.822 124.124 120.400 -0.163 0.000 2.420 869 D HA 0.372 5.024 4.640 0.020 0.000 0.255 869 D C -0.698 175.673 176.300 0.118 0.000 1.185 869 D CA -0.041 53.943 54.000 -0.027 0.000 0.904 869 D CB 2.379 43.158 40.800 -0.034 0.000 1.102 869 D HN 0.256 nan 8.370 nan 0.000 0.534 870 V N 1.576 121.608 119.914 0.197 0.000 2.716 870 V HA 0.354 4.486 4.120 0.020 0.000 0.304 870 V C 0.336 176.533 176.094 0.170 0.000 1.053 870 V CA -0.557 61.854 62.300 0.186 0.000 0.984 870 V CB 2.245 34.171 31.823 0.172 0.000 1.021 870 V HN 0.348 nan 8.190 nan 0.000 0.467 871 E N 1.369 121.650 120.200 0.135 0.000 2.224 871 E HA 0.615 4.977 4.350 0.020 0.000 0.265 871 E C -1.683 174.995 176.600 0.129 0.000 0.878 871 E CA -0.485 55.994 56.400 0.132 0.000 0.759 871 E CB 2.374 32.144 29.700 0.117 0.000 1.164 871 E HN 0.481 nan 8.360 nan 0.000 0.414 872 V N 2.212 122.216 119.914 0.150 0.000 2.409 872 V HA 0.510 4.642 4.120 0.020 0.000 0.291 872 V C 0.198 176.369 176.094 0.127 0.000 1.020 872 V CA -1.067 61.337 62.300 0.175 0.000 0.848 872 V CB 1.362 33.320 31.823 0.226 0.000 0.990 872 V HN 0.839 nan 8.190 nan 0.000 0.430 873 A N 3.603 126.457 122.820 0.057 0.000 2.540 873 A HA 0.286 4.618 4.320 0.020 0.000 0.239 873 A C 1.542 179.174 177.584 0.081 0.000 1.061 873 A CA 0.467 52.530 52.037 0.043 0.000 0.758 873 A CB 0.164 19.159 19.000 -0.008 0.000 0.991 873 A HN 0.901 nan 8.150 nan 0.000 0.502 874 S N 0.982 116.728 115.700 0.076 0.000 2.359 874 S HA -0.157 4.325 4.470 0.020 0.000 0.224 874 S C 1.532 176.169 174.600 0.061 0.000 1.035 874 S CA 1.689 59.943 58.200 0.090 0.000 1.018 874 S CB -0.365 62.878 63.200 0.071 0.000 0.876 874 S HN 0.944 nan 8.310 nan 0.000 0.448 875 D N 0.462 120.882 120.400 0.033 0.000 2.371 875 D HA 0.000 4.652 4.640 0.020 0.000 0.221 875 D C 0.793 177.094 176.300 0.002 0.000 0.986 875 D CA 0.416 54.423 54.000 0.011 0.000 0.899 875 D CB -0.608 40.197 40.800 0.008 0.000 0.902 875 D HN 0.203 nan 8.370 nan 0.000 0.530 876 T N 0.425 114.995 114.554 0.026 0.000 2.934 876 T HA 0.411 4.773 4.350 0.020 0.000 0.283 876 T C -2.530 172.203 174.700 0.054 0.000 1.005 876 T CA -1.996 60.142 62.100 0.063 0.000 1.041 876 T CB 1.213 70.149 68.868 0.113 0.000 1.042 876 T HN -0.225 nan 8.240 nan 0.000 0.505 877 P HA 0.137 nan 4.420 nan 0.000 0.270 877 P C -0.933 176.562 177.300 0.324 0.000 1.227 877 P CA 0.083 63.215 63.100 0.054 0.000 0.788 877 P CB 0.135 31.858 31.700 0.039 0.000 0.926 878 H N 1.461 120.903 119.070 0.621 0.000 2.690 878 H HA 0.228 4.796 4.556 0.020 0.000 0.314 878 H C -1.748 173.974 175.328 0.657 0.000 1.069 878 H CA -1.820 54.550 56.048 0.536 0.000 1.436 878 H CB -0.351 29.643 29.762 0.387 0.000 1.462 878 H HN 0.337 nan 8.280 nan 0.000 0.511 879 P HA -0.035 nan 4.420 nan 0.000 0.268 879 P C 0.307 177.493 177.300 -0.191 0.000 1.205 879 P CA -0.115 63.021 63.100 0.059 0.000 0.771 879 P CB 1.094 32.724 31.700 -0.117 0.000 0.858 880 A N 4.063 126.518 122.820 -0.608 0.000 1.933 880 A HA -0.136 4.195 4.320 0.020 0.000 0.218 880 A C 1.257 178.476 177.584 -0.609 0.000 1.175 880 A CA 1.317 53.012 52.037 -0.570 0.000 0.628 880 A CB -0.472 18.119 19.000 -0.682 0.000 0.814 880 A HN 0.742 nan 8.150 nan 0.000 0.444 881 R N -2.429 117.752 120.500 -0.532 0.000 2.846 881 R HA 0.783 5.135 4.340 0.020 0.000 0.263 881 R C -1.874 174.237 176.300 -0.314 0.000 1.080 881 R CA -0.849 54.982 56.100 -0.448 0.000 0.961 881 R CB 0.881 30.938 30.300 -0.405 0.000 1.231 881 R HN 0.097 nan 8.270 nan 0.000 0.465 882 I N 0.512 120.943 120.570 -0.232 0.000 2.603 882 I HA 0.481 4.663 4.170 0.020 0.000 0.276 882 I C -0.570 175.411 176.117 -0.228 0.000 1.133 882 I CA -0.162 61.063 61.300 -0.124 0.000 1.070 882 I CB 1.888 39.818 38.000 -0.116 0.000 1.215 882 I HN 1.003 nan 8.210 nan 0.000 0.487 883 G N 5.044 113.685 108.800 -0.265 0.000 2.650 883 G HA2 0.750 4.722 3.960 0.020 0.000 0.310 883 G HA3 0.750 4.722 3.960 0.020 0.000 0.310 883 G C -1.847 172.959 174.900 -0.157 0.000 1.270 883 G CA -0.587 44.374 45.100 -0.232 0.000 0.810 883 G HN 0.205 nan 8.290 nan 0.000 0.493 884 L N 1.013 122.173 121.223 -0.105 0.000 2.323 884 L HA 0.644 4.996 4.340 0.020 0.000 0.265 884 L C -0.563 176.223 176.870 -0.140 0.000 1.012 884 L CA -1.063 53.719 54.840 -0.096 0.000 0.820 884 L CB 2.445 44.507 42.059 0.005 0.000 1.334 884 L HN 0.790 nan 8.230 nan 0.000 0.427 885 N N 0.927 119.563 118.700 -0.107 0.000 2.494 885 N HA 0.703 5.455 4.740 0.020 0.000 0.270 885 N C -1.378 174.130 175.510 -0.004 0.000 1.285 885 N CA -0.452 52.565 53.050 -0.055 0.000 0.812 885 N CB 2.585 41.054 38.487 -0.030 0.000 1.557 885 N HN 0.858 nan 8.380 nan 0.000 0.487 886 C N -0.660 118.659 119.300 0.031 0.000 3.253 886 C HA 0.496 4.967 4.460 0.020 0.000 0.342 886 C C -1.421 173.440 174.990 -0.215 0.000 1.306 886 C CA -0.792 58.207 59.018 -0.030 0.000 1.207 886 C CB 0.995 28.739 27.740 0.006 0.000 1.479 886 C HN 0.846 nan 8.230 nan 0.000 0.469 887 Q N 1.491 120.994 119.800 -0.496 0.000 2.325 887 Q HA 0.632 4.984 4.340 0.020 0.000 0.262 887 Q C -0.823 174.909 176.000 -0.448 0.000 0.968 887 Q CA -0.487 54.787 55.803 -0.882 0.000 0.877 887 Q CB 1.125 28.965 28.738 -1.496 0.000 1.253 887 Q HN 0.784 nan 8.270 nan 0.000 0.448 888 L N 2.214 123.243 121.223 -0.324 0.000 2.436 888 L HA 0.228 4.580 4.340 0.020 0.000 0.265 888 L C 1.002 177.787 176.870 -0.143 0.000 1.168 888 L CA -0.109 54.658 54.840 -0.122 0.000 0.815 888 L CB 0.835 42.934 42.059 0.066 0.000 1.109 888 L HN 0.833 nan 8.230 nan 0.000 0.462 889 A N 1.811 124.577 122.820 -0.090 0.000 1.887 889 A HA -0.044 4.288 4.320 0.020 0.000 0.212 889 A C 1.065 178.621 177.584 -0.047 0.000 1.198 889 A CA 0.304 52.285 52.037 -0.094 0.000 0.628 889 A CB -0.193 18.744 19.000 -0.105 0.000 0.847 889 A HN 0.761 nan 8.150 nan 0.000 0.449 890 Q N -0.221 119.576 119.800 -0.005 0.000 2.540 890 Q HA 0.309 4.661 4.340 0.020 0.000 0.256 890 Q C -1.025 174.988 176.000 0.022 0.000 1.084 890 Q CA 0.957 56.753 55.803 -0.012 0.000 0.956 890 Q CB 0.496 29.230 28.738 -0.007 0.000 1.303 890 Q HN 0.250 nan 8.270 nan 0.000 0.509 891 V N 2.461 122.361 119.914 -0.024 0.000 2.614 891 V HA 0.644 4.776 4.120 0.020 0.000 0.281 891 V C -1.046 175.044 176.094 -0.006 0.000 1.031 891 V CA -0.168 62.178 62.300 0.077 0.000 0.899 891 V CB 1.154 33.001 31.823 0.040 0.000 1.037 891 V HN 0.892 nan 8.190 nan 0.000 0.456 892 A N 3.039 125.824 122.820 -0.057 0.000 2.320 892 A HA 0.772 5.104 4.320 0.020 0.000 0.334 892 A C 0.702 178.397 177.584 0.185 0.000 1.147 892 A CA -0.492 51.493 52.037 -0.086 0.000 0.820 892 A CB 1.014 19.742 19.000 -0.453 0.000 1.218 892 A HN 0.794 nan 8.150 nan 0.000 0.482 893 E N 0.431 120.689 120.200 0.098 0.000 2.435 893 E HA 0.001 4.363 4.350 0.020 0.000 0.195 893 E C -0.118 176.570 176.600 0.146 0.000 1.029 893 E CA 0.483 56.951 56.400 0.114 0.000 0.865 893 E CB 0.180 29.917 29.700 0.061 0.000 0.833 893 E HN 0.382 nan 8.360 nan 0.000 0.510 894 R N 0.551 121.161 120.500 0.183 0.000 2.795 894 R HA 0.495 4.847 4.340 0.020 0.000 0.275 894 R C -0.767 175.718 176.300 0.307 0.000 0.981 894 R CA -0.885 55.336 56.100 0.201 0.000 0.917 894 R CB 1.963 32.350 30.300 0.144 0.000 1.202 894 R HN -0.177 nan 8.270 nan 0.000 0.469 895 V N 1.972 122.063 119.914 0.294 0.000 2.495 895 V HA 0.432 4.564 4.120 0.020 0.000 0.298 895 V C -0.005 176.319 176.094 0.384 0.000 1.031 895 V CA -0.870 61.632 62.300 0.337 0.000 0.871 895 V CB 1.931 33.900 31.823 0.244 0.000 0.988 895 V HN 0.653 nan 8.190 nan 0.000 0.432 896 N N 4.109 123.021 118.700 0.354 0.000 2.399 896 N HA 0.507 5.259 4.740 0.020 0.000 0.284 896 N C -1.593 174.143 175.510 0.376 0.000 1.025 896 N CA -0.440 52.787 53.050 0.296 0.000 0.885 896 N CB 2.305 40.884 38.487 0.154 0.000 1.339 896 N HN 0.820 nan 8.380 nan 0.000 0.487 897 W N 3.729 125.085 121.300 0.094 0.000 3.107 897 W HA 0.530 5.201 4.660 0.020 0.000 0.331 897 W C -2.091 174.435 176.519 0.013 0.000 1.204 897 W CA -1.058 56.334 57.345 0.078 0.000 1.184 897 W CB 0.569 30.110 29.460 0.135 0.000 1.421 897 W HN 0.159 nan 8.180 nan 0.000 0.544 898 L N 4.785 126.061 121.223 0.088 0.000 2.270 898 L HA 0.850 5.202 4.340 0.020 0.000 0.286 898 L C 0.140 176.978 176.870 -0.053 0.000 1.059 898 L CA 0.453 55.175 54.840 -0.196 0.000 0.839 898 L CB 0.092 42.089 42.059 -0.104 0.000 1.221 898 L HN 0.939 nan 8.230 nan 0.000 0.431 899 G N 3.744 112.351 108.800 -0.322 0.000 2.335 899 G HA2 0.158 4.130 3.960 0.020 0.000 0.291 899 G HA3 0.158 4.130 3.960 0.020 0.000 0.291 899 G C -1.537 173.575 174.900 0.355 0.000 1.261 899 G CA -1.057 44.110 45.100 0.112 0.000 0.871 899 G HN 0.270 nan 8.290 nan 0.000 0.491 900 L N 1.798 123.322 121.223 0.501 0.000 2.530 900 L HA 0.486 4.838 4.340 0.020 0.000 0.273 900 L C 1.049 178.062 176.870 0.238 0.000 1.141 900 L CA 1.181 56.227 54.840 0.343 0.000 0.905 900 L CB -0.223 41.950 42.059 0.189 0.000 1.202 900 L HN 1.045 nan 8.230 nan 0.000 0.473 901 G N 4.718 113.449 108.800 -0.116 0.000 2.570 901 G HA2 0.354 4.326 3.960 0.020 0.000 0.310 901 G HA3 0.354 4.326 3.960 0.020 0.000 0.310 901 G C -2.716 171.504 174.900 -1.134 0.000 1.266 901 G CA -0.219 44.478 45.100 -0.671 0.000 0.825 901 G HN 0.292 nan 8.290 nan 0.000 0.483 902 P HA 0.148 nan 4.420 nan 0.000 0.252 902 P C 0.098 177.238 177.300 -0.267 0.000 1.218 902 P CA 0.430 62.977 63.100 -0.921 0.000 0.807 902 P CB 0.402 31.686 31.700 -0.693 0.000 1.072 903 Q N 0.433 120.067 119.800 -0.275 0.000 2.318 903 Q HA 0.233 4.585 4.340 0.020 0.000 0.222 903 Q C 0.352 176.250 176.000 -0.170 0.000 1.003 903 Q CA -0.796 54.909 55.803 -0.163 0.000 0.936 903 Q CB -0.185 28.481 28.738 -0.120 0.000 1.204 903 Q HN 0.070 nan 8.270 nan 0.000 0.524 904 E N 0.676 120.789 120.200 -0.146 0.000 2.534 904 E HA -0.020 4.342 4.350 0.020 0.000 0.264 904 E C -0.979 175.542 176.600 -0.132 0.000 0.981 904 E CA 0.276 56.580 56.400 -0.160 0.000 0.948 904 E CB 0.244 29.926 29.700 -0.031 0.000 0.934 904 E HN 0.726 nan 8.360 nan 0.000 0.459 905 N N 2.404 120.936 118.700 -0.280 0.000 2.554 905 N HA 0.189 4.941 4.740 0.020 0.000 0.271 905 N C -2.085 173.164 175.510 -0.435 0.000 1.081 905 N CA -0.595 52.342 53.050 -0.190 0.000 0.994 905 N CB 0.378 38.781 38.487 -0.140 0.000 1.641 905 N HN 0.220 nan 8.380 nan 0.000 0.511 906 Y N 1.358 121.562 120.300 -0.159 0.000 2.528 906 Y HA 0.545 5.107 4.550 0.020 0.000 0.335 906 Y C -1.533 174.297 175.900 -0.118 0.000 1.093 906 Y CA -2.126 55.874 58.100 -0.166 0.000 1.134 906 Y CB 1.452 39.809 38.460 -0.171 0.000 1.253 906 Y HN 0.397 nan 8.280 nan 0.000 0.478 907 P HA -0.209 nan 4.420 nan 0.000 0.216 907 P C 0.483 177.654 177.300 -0.214 0.000 1.154 907 P CA 2.176 65.316 63.100 0.066 0.000 0.865 907 P CB 0.183 32.014 31.700 0.218 0.000 0.789 908 D N -2.119 117.900 120.400 -0.636 0.000 2.358 908 D HA 0.006 4.658 4.640 0.020 0.000 0.224 908 D C 0.552 176.669 176.300 -0.305 0.000 1.123 908 D CA 0.004 53.379 54.000 -1.041 0.000 0.833 908 D CB -0.130 39.823 40.800 -1.412 0.000 0.946 908 D HN 0.146 nan 8.370 nan 0.000 0.505 909 R N 0.933 121.370 120.500 -0.105 0.000 2.928 909 R HA 0.228 4.580 4.340 0.020 0.000 0.248 909 R C -0.931 175.408 176.300 0.064 0.000 1.796 909 R CA -0.250 55.863 56.100 0.021 0.000 1.477 909 R CB 0.112 30.429 30.300 0.028 0.000 1.484 909 R HN 0.108 nan 8.270 nan 0.000 0.623 910 L N -0.677 120.600 121.223 0.090 0.000 3.693 910 L HA 0.253 4.605 4.340 0.020 0.000 0.357 910 L C 0.905 177.852 176.870 0.129 0.000 1.330 910 L CA -0.125 54.768 54.840 0.089 0.000 1.046 910 L CB 0.126 42.219 42.059 0.056 0.000 1.407 910 L HN 0.151 nan 8.230 nan 0.000 0.614 911 T N -3.135 111.523 114.554 0.173 0.000 3.072 911 T HA 0.223 4.585 4.350 0.020 0.000 0.266 911 T C 1.473 176.285 174.700 0.187 0.000 1.127 911 T CA 1.118 63.348 62.100 0.217 0.000 1.107 911 T CB 0.074 69.111 68.868 0.282 0.000 0.910 911 T HN 0.441 nan 8.240 nan 0.000 0.513 912 A N 0.810 123.730 122.820 0.166 0.000 2.169 912 A HA 0.779 5.111 4.320 0.020 0.000 0.210 912 A C 1.480 179.173 177.584 0.182 0.000 1.168 912 A CA 0.194 52.297 52.037 0.110 0.000 0.813 912 A CB -0.397 18.782 19.000 0.298 0.000 0.861 912 A HN 0.731 nan 8.150 nan 0.000 0.481 913 A N -0.587 122.293 122.820 0.101 0.000 2.388 913 A HA 0.468 4.800 4.320 0.020 0.000 0.257 913 A C 0.015 177.655 177.584 0.094 0.000 1.095 913 A CA -0.106 51.955 52.037 0.038 0.000 0.791 913 A CB -0.193 18.809 19.000 0.004 0.000 1.029 913 A HN 0.449 nan 8.150 nan 0.000 0.489 914 C N 1.054 120.410 119.300 0.093 0.000 2.454 914 C HA 0.562 5.034 4.460 0.020 0.000 0.336 914 C C -0.053 175.114 174.990 0.295 0.000 1.189 914 C CA -0.432 58.701 59.018 0.192 0.000 1.877 914 C CB 0.704 28.560 27.740 0.192 0.000 2.348 914 C HN 0.787 nan 8.230 nan 0.000 0.508 915 F N 3.816 123.702 119.950 -0.107 0.000 2.421 915 F HA 0.505 5.044 4.527 0.020 0.000 0.358 915 F C 0.233 175.792 175.800 -0.402 0.000 1.115 915 F CA 0.794 58.612 58.000 -0.303 0.000 1.160 915 F CB -0.060 38.374 39.000 -0.943 0.000 1.123 915 F HN 0.651 nan 8.300 nan 0.000 0.508 916 D N 3.611 123.353 120.400 -1.096 0.000 2.792 916 D HA 0.175 4.827 4.640 0.020 0.000 0.335 916 D C -1.601 173.660 176.300 -1.732 0.000 1.353 916 D CA -0.714 52.400 54.000 -1.477 0.000 0.839 916 D CB 1.641 41.392 40.800 -1.748 0.000 1.396 916 D HN 0.519 nan 8.370 nan 0.000 0.479 917 R N 0.724 120.333 120.500 -1.485 0.000 2.221 917 R HA 0.497 4.849 4.340 0.020 0.000 0.327 917 R C -1.521 173.978 176.300 -1.334 0.000 1.033 917 R CA -0.186 55.253 56.100 -1.102 0.000 0.887 917 R CB 0.197 30.117 30.300 -0.633 0.000 1.057 917 R HN 0.267 nan 8.270 nan 0.000 0.455 918 W N 2.632 123.364 121.300 -0.946 0.000 2.689 918 W HA 0.412 5.084 4.660 0.020 0.000 0.340 918 W C -0.422 175.765 176.519 -0.554 0.000 1.060 918 W CA -0.701 56.049 57.345 -0.992 0.000 1.218 918 W CB 1.753 30.014 29.460 -1.998 0.000 1.410 918 W HN 0.403 nan 8.180 nan 0.000 0.528 919 D N 3.156 123.529 120.400 -0.046 0.000 2.696 919 D HA 0.589 5.241 4.640 0.020 0.000 0.251 919 D C -1.385 174.994 176.300 0.133 0.000 1.188 919 D CA -0.272 53.767 54.000 0.065 0.000 0.876 919 D CB 1.396 42.208 40.800 0.019 0.000 1.334 919 D HN 0.500 nan 8.370 nan 0.000 0.540 920 L N 0.827 122.174 121.223 0.207 0.000 2.622 920 L HA 0.569 4.921 4.340 0.020 0.000 0.258 920 L C -2.900 174.079 176.870 0.182 0.000 0.996 920 L CA -2.034 52.917 54.840 0.185 0.000 0.858 920 L CB 1.722 43.892 42.059 0.185 0.000 1.449 920 L HN 0.036 nan 8.230 nan 0.000 0.411 921 P HA 0.078 nan 4.420 nan 0.000 0.268 921 P C 0.795 178.175 177.300 0.134 0.000 1.204 921 P CA -0.218 62.956 63.100 0.123 0.000 0.768 921 P CB 0.811 32.564 31.700 0.089 0.000 0.842 922 L N 3.697 125.005 121.223 0.142 0.000 2.151 922 L HA -0.297 4.055 4.340 0.020 0.000 0.215 922 L C 2.333 179.256 176.870 0.087 0.000 1.084 922 L CA 2.674 57.581 54.840 0.112 0.000 0.764 922 L CB -1.105 41.028 42.059 0.123 0.000 0.891 922 L HN 0.462 nan 8.230 nan 0.000 0.435 923 S N -1.016 114.736 115.700 0.087 0.000 2.356 923 S HA -0.216 4.266 4.470 0.020 0.000 0.223 923 S C 1.735 176.408 174.600 0.121 0.000 1.032 923 S CA 1.436 59.689 58.200 0.088 0.000 1.005 923 S CB -0.605 62.634 63.200 0.066 0.000 0.867 923 S HN 0.590 nan 8.310 nan 0.000 0.449 924 D N 1.089 121.548 120.400 0.099 0.000 2.351 924 D HA 0.006 4.658 4.640 0.020 0.000 0.216 924 D C 1.141 177.484 176.300 0.071 0.000 0.968 924 D CA 0.595 54.644 54.000 0.081 0.000 0.899 924 D CB -0.215 40.630 40.800 0.074 0.000 0.907 924 D HN 0.402 nan 8.370 nan 0.000 0.514 925 M N -0.381 119.274 119.600 0.092 0.000 2.639 925 M HA 0.066 4.558 4.480 0.020 0.000 0.220 925 M C -0.145 176.213 176.300 0.097 0.000 1.155 925 M CA 0.029 55.359 55.300 0.052 0.000 1.003 925 M CB -1.201 31.428 32.600 0.049 0.000 1.725 925 M HN -0.009 nan 8.290 nan 0.000 0.489 926 Y N -0.939 119.344 120.300 -0.029 0.000 2.534 926 Y HA 0.483 5.045 4.550 0.020 0.000 0.345 926 Y C -1.016 174.833 175.900 -0.085 0.000 1.031 926 Y CA -0.772 57.313 58.100 -0.025 0.000 1.022 926 Y CB 1.587 40.086 38.460 0.066 0.000 1.292 926 Y HN -0.036 nan 8.280 nan 0.000 0.459 927 T N 6.771 120.825 114.554 -0.832 0.000 2.934 927 T HA 0.266 4.627 4.350 0.020 0.000 0.328 927 T C -2.813 171.134 174.700 -1.255 0.000 1.068 927 T CA -1.564 60.014 62.100 -0.870 0.000 1.018 927 T CB 1.109 69.486 68.868 -0.819 0.000 1.009 927 T HN 0.437 nan 8.240 nan 0.000 0.471 928 P HA 0.030 nan 4.420 nan 0.000 0.237 928 P C -0.565 176.677 177.300 -0.097 0.000 1.701 928 P CA -0.306 62.512 63.100 -0.471 0.000 0.955 928 P CB -0.950 30.658 31.700 -0.154 0.000 1.937 929 Y N -0.066 120.208 120.300 -0.043 0.000 2.745 929 Y HA -0.098 4.464 4.550 0.020 0.000 0.335 929 Y C 2.235 178.219 175.900 0.140 0.000 1.212 929 Y CA -0.662 57.512 58.100 0.123 0.000 1.535 929 Y CB 0.379 38.836 38.460 -0.004 0.000 1.220 929 Y HN -0.083 nan 8.280 nan 0.000 0.531 930 V N 4.427 124.589 119.914 0.414 0.000 2.277 930 V HA -0.355 3.776 4.120 0.020 0.000 0.255 930 V C 0.681 176.959 176.094 0.307 0.000 1.074 930 V CA 1.750 64.252 62.300 0.338 0.000 1.058 930 V CB -0.564 31.482 31.823 0.372 0.000 0.656 930 V HN 0.602 nan 8.190 nan 0.000 0.449 931 F N 3.553 123.569 119.950 0.110 0.000 2.313 931 F HA 0.482 5.021 4.527 0.020 0.000 0.369 931 F C -2.161 173.653 175.800 0.023 0.000 1.109 931 F CA -3.556 54.458 58.000 0.023 0.000 1.132 931 F CB 0.534 39.449 39.000 -0.143 0.000 1.291 931 F HN 0.011 nan 8.300 nan 0.000 0.496 932 P HA 0.082 nan 4.420 nan 0.000 0.263 932 P C -0.778 176.180 177.300 -0.571 0.000 1.175 932 P CA 0.443 63.299 63.100 -0.407 0.000 0.761 932 P CB 1.005 32.480 31.700 -0.375 0.000 0.794 933 S N 0.291 115.859 115.700 -0.221 0.000 2.757 933 S HA 0.426 4.908 4.470 0.020 0.000 0.285 933 S C -0.585 173.999 174.600 -0.027 0.000 1.196 933 S CA -0.949 57.176 58.200 -0.125 0.000 0.856 933 S CB 0.631 63.794 63.200 -0.063 0.000 1.212 933 S HN 0.385 nan 8.310 nan 0.000 0.516 934 E N 1.036 121.238 120.200 0.003 0.000 2.436 934 E HA 0.423 4.784 4.350 0.020 0.000 0.262 934 E C -0.113 176.541 176.600 0.090 0.000 1.063 934 E CA 0.576 57.006 56.400 0.050 0.000 0.944 934 E CB 0.045 29.804 29.700 0.099 0.000 0.950 934 E HN 0.831 nan 8.360 nan 0.000 0.444 935 N N 0.103 118.884 118.700 0.136 0.000 3.261 935 N HA 0.358 5.110 4.740 0.020 0.000 0.248 935 N C 0.009 175.568 175.510 0.083 0.000 1.498 935 N CA -0.724 52.434 53.050 0.181 0.000 0.884 935 N CB 0.280 38.828 38.487 0.102 0.000 1.428 935 N HN 0.710 nan 8.380 nan 0.000 0.517 936 G N -0.809 108.000 108.800 0.016 0.000 2.380 936 G HA2 -0.295 3.677 3.960 0.020 0.000 0.298 936 G HA3 -0.295 3.677 3.960 0.020 0.000 0.298 936 G C -0.151 174.535 174.900 -0.358 0.000 0.989 936 G CA 0.893 45.905 45.100 -0.146 0.000 0.836 936 G HN 0.692 nan 8.290 nan 0.000 0.511 937 L N -0.430 120.496 121.223 -0.494 0.000 2.490 937 L HA 0.553 4.905 4.340 0.020 0.000 0.274 937 L C 0.723 177.010 176.870 -0.973 0.000 1.201 937 L CA 0.295 54.581 54.840 -0.923 0.000 0.869 937 L CB 0.501 41.551 42.059 -1.682 0.000 1.123 937 L HN 0.276 nan 8.230 nan 0.000 0.484 938 R N 3.795 123.601 120.500 -1.156 0.000 2.437 938 R HA 0.492 4.844 4.340 0.020 0.000 0.310 938 R C -0.879 174.967 176.300 -0.757 0.000 0.955 938 R CA -0.429 55.029 56.100 -1.071 0.000 0.851 938 R CB 1.300 30.806 30.300 -1.323 0.000 1.161 938 R HN 0.647 nan 8.270 nan 0.000 0.446 939 C N 0.935 119.984 119.300 -0.418 0.000 2.325 939 C HA 0.649 5.121 4.460 0.020 0.000 0.370 939 C C 1.232 176.175 174.990 -0.079 0.000 1.217 939 C CA -0.098 58.775 59.018 -0.243 0.000 2.254 939 C CB 1.275 28.918 27.740 -0.162 0.000 2.282 939 C HN 1.054 nan 8.230 nan 0.000 0.564 940 G N 2.409 111.171 108.800 -0.063 0.000 2.393 940 G HA2 -0.187 3.785 3.960 0.020 0.000 0.299 940 G HA3 -0.187 3.785 3.960 0.020 0.000 0.299 940 G C -0.046 174.884 174.900 0.050 0.000 0.990 940 G CA 0.492 45.596 45.100 0.007 0.000 1.118 940 G HN 0.813 nan 8.290 nan 0.000 0.513 941 T N 0.534 114.965 114.554 -0.204 0.000 2.749 941 T HA 0.404 4.765 4.350 0.020 0.000 0.295 941 T C 1.571 175.975 174.700 -0.493 0.000 0.936 941 T CA -0.509 61.418 62.100 -0.290 0.000 1.060 941 T CB 1.108 69.877 68.868 -0.164 0.000 0.904 941 T HN 0.282 nan 8.240 nan 0.000 0.500 942 R N 1.994 122.489 120.500 -0.008 0.000 2.105 942 R HA 0.275 4.627 4.340 0.020 0.000 0.214 942 R C 0.666 177.082 176.300 0.193 0.000 1.091 942 R CA 0.614 56.781 56.100 0.111 0.000 1.007 942 R CB 0.228 30.692 30.300 0.273 0.000 0.912 942 R HN 0.635 nan 8.270 nan 0.000 0.450 943 E N 0.200 120.533 120.200 0.222 0.000 2.308 943 E HA 0.339 4.701 4.350 0.020 0.000 0.275 943 E C -1.785 175.011 176.600 0.327 0.000 0.890 943 E CA -0.664 55.907 56.400 0.286 0.000 0.754 943 E CB 1.618 31.439 29.700 0.202 0.000 1.207 943 E HN -0.123 nan 8.360 nan 0.000 0.426 944 L N 3.970 125.405 121.223 0.354 0.000 2.410 944 L HA 0.573 4.925 4.340 0.020 0.000 0.270 944 L C -1.842 175.230 176.870 0.337 0.000 0.983 944 L CA -0.396 54.585 54.840 0.236 0.000 0.822 944 L CB 1.802 43.852 42.059 -0.015 0.000 1.285 944 L HN 0.413 nan 8.230 nan 0.000 0.409 945 N N 4.543 123.415 118.700 0.287 0.000 2.491 945 N HA 0.297 5.049 4.740 0.020 0.000 0.274 945 N C -2.074 173.658 175.510 0.370 0.000 1.023 945 N CA -0.206 53.016 53.050 0.288 0.000 0.902 945 N CB 1.822 40.419 38.487 0.184 0.000 1.267 945 N HN 0.629 nan 8.380 nan 0.000 0.503 946 Y N 2.039 122.512 120.300 0.288 0.000 2.322 946 Y HA 0.439 5.001 4.550 0.020 0.000 0.324 946 Y C 0.828 176.871 175.900 0.237 0.000 1.027 946 Y CA 0.127 58.381 58.100 0.256 0.000 1.179 946 Y CB 0.566 39.176 38.460 0.250 0.000 1.136 946 Y HN 0.799 nan 8.280 nan 0.000 0.449 947 G N 6.457 115.144 108.800 -0.189 0.000 2.596 947 G HA2 -0.327 3.645 3.960 0.020 0.000 0.304 947 G HA3 -0.327 3.645 3.960 0.020 0.000 0.304 947 G C -1.676 173.138 174.900 -0.143 0.000 1.189 947 G CA 0.182 45.149 45.100 -0.222 0.000 0.986 947 G HN 0.557 nan 8.290 nan 0.000 0.548 948 P HA 0.167 nan 4.420 nan 0.000 0.249 948 P C 0.279 177.267 177.300 -0.520 0.000 1.229 948 P CA 0.835 63.704 63.100 -0.384 0.000 0.788 948 P CB -0.040 31.323 31.700 -0.562 0.000 1.072 949 H N -0.076 118.939 119.070 -0.091 0.000 2.502 949 H HA 0.496 5.064 4.556 0.020 0.000 0.338 949 H C -0.228 174.889 175.328 -0.353 0.000 1.155 949 H CA -0.361 55.520 56.048 -0.280 0.000 1.237 949 H CB 1.960 31.391 29.762 -0.552 0.000 1.534 949 H HN -0.002 nan 8.280 nan 0.000 0.523 950 Q N 2.042 121.598 119.800 -0.407 0.000 2.285 950 Q HA 0.221 4.573 4.340 0.020 0.000 0.269 950 Q C -1.626 174.198 176.000 -0.293 0.000 1.030 950 Q CA -0.673 55.011 55.803 -0.198 0.000 0.788 950 Q CB 2.028 30.764 28.738 -0.003 0.000 1.266 950 Q HN 0.597 nan 8.270 nan 0.000 0.438 951 W N 3.663 124.963 121.300 0.000 0.000 2.587 951 W HA 0.565 5.237 4.660 0.020 0.000 0.324 951 W C -0.234 176.381 176.519 0.160 0.000 1.040 951 W CA -0.918 56.389 57.345 -0.064 0.000 1.222 951 W CB 1.796 31.013 29.460 -0.405 0.000 1.381 951 W HN 0.456 nan 8.180 nan 0.000 0.483 952 R N 1.338 122.076 120.500 0.397 0.000 2.451 952 R HA 0.657 5.009 4.340 0.020 0.000 0.307 952 R C 0.104 176.670 176.300 0.444 0.000 0.965 952 R CA 0.001 56.343 56.100 0.404 0.000 0.865 952 R CB 1.563 32.021 30.300 0.264 0.000 1.174 952 R HN 0.770 nan 8.270 nan 0.000 0.455 953 G N 1.258 110.395 108.800 0.560 0.000 2.512 953 G HA2 0.089 4.061 3.960 0.020 0.000 0.186 953 G HA3 0.089 4.061 3.960 0.020 0.000 0.186 953 G C -1.699 173.365 174.900 0.274 0.000 1.189 953 G CA -0.334 45.048 45.100 0.470 0.000 0.994 953 G HN 0.445 nan 8.290 nan 0.000 0.506 954 D N -0.006 120.547 120.400 0.254 0.000 2.330 954 D HA 0.615 5.267 4.640 0.020 0.000 0.249 954 D C -0.891 175.403 176.300 -0.010 0.000 1.306 954 D CA -0.432 53.570 54.000 0.004 0.000 0.956 954 D CB 0.383 41.216 40.800 0.054 0.000 1.261 954 D HN 0.497 nan 8.370 nan 0.000 0.544 955 F N -0.031 119.932 119.950 0.022 0.000 2.745 955 F HA 0.644 5.183 4.527 0.020 0.000 0.316 955 F C -1.503 174.267 175.800 -0.049 0.000 1.155 955 F CA -1.105 56.845 58.000 -0.083 0.000 0.937 955 F CB 0.694 39.645 39.000 -0.083 0.000 1.361 955 F HN -0.094 nan 8.300 nan 0.000 0.472 956 Q N 1.860 121.710 119.800 0.082 0.000 2.345 956 Q HA 0.642 4.994 4.340 0.020 0.000 0.268 956 Q C -1.337 174.727 176.000 0.106 0.000 1.054 956 Q CA -0.448 55.315 55.803 -0.068 0.000 0.835 956 Q CB 2.637 31.223 28.738 -0.253 0.000 1.339 956 Q HN 0.874 nan 8.270 nan 0.000 0.447 957 F N -0.810 119.057 119.950 -0.139 0.000 2.706 957 F HA 0.838 5.377 4.527 0.020 0.000 0.328 957 F C -1.312 174.295 175.800 -0.322 0.000 1.123 957 F CA -1.007 56.871 58.000 -0.202 0.000 0.978 957 F CB 1.704 40.617 39.000 -0.145 0.000 1.404 957 F HN 0.622 nan 8.300 nan 0.000 0.497 958 N N 0.786 119.463 118.700 -0.038 0.000 2.636 958 N HA 0.519 5.271 4.740 0.020 0.000 0.261 958 N C -2.190 173.327 175.510 0.012 0.000 1.195 958 N CA -0.644 52.341 53.050 -0.107 0.000 0.902 958 N CB 2.041 40.410 38.487 -0.198 0.000 1.627 958 N HN 1.166 nan 8.380 nan 0.000 0.491 959 I N 0.823 121.389 120.570 -0.007 0.000 2.622 959 I HA 0.454 4.636 4.170 0.020 0.000 0.283 959 I C -1.277 174.819 176.117 -0.035 0.000 1.202 959 I CA 0.074 61.328 61.300 -0.076 0.000 1.075 959 I CB 0.812 38.674 38.000 -0.229 0.000 1.274 959 I HN 0.935 nan 8.210 nan 0.000 0.450 960 S N 6.567 122.290 115.700 0.039 0.000 2.851 960 S HA 0.622 5.104 4.470 0.020 0.000 0.313 960 S C 0.204 174.799 174.600 -0.008 0.000 1.163 960 S CA -0.921 57.321 58.200 0.070 0.000 0.850 960 S CB 2.089 65.467 63.200 0.296 0.000 1.245 960 S HN 0.596 nan 8.310 nan 0.000 0.558 961 R N 0.037 120.371 120.500 -0.277 0.000 2.480 961 R HA 0.297 4.649 4.340 0.020 0.000 0.277 961 R C -1.216 174.759 176.300 -0.542 0.000 1.008 961 R CA 0.144 55.986 56.100 -0.430 0.000 1.090 961 R CB -0.962 28.983 30.300 -0.591 0.000 1.234 961 R HN 0.635 nan 8.270 nan 0.000 0.549 962 Y N -0.006 120.386 120.300 0.154 0.000 2.329 962 Y HA 0.165 4.727 4.550 0.020 0.000 0.328 962 Y C 0.481 176.190 175.900 -0.319 0.000 0.992 962 Y CA -1.039 57.054 58.100 -0.013 0.000 1.151 962 Y CB 1.457 39.890 38.460 -0.046 0.000 1.150 962 Y HN -0.054 nan 8.280 nan 0.000 0.450 963 S N 2.061 117.372 115.700 -0.647 0.000 2.572 963 S HA 0.010 4.492 4.470 0.020 0.000 0.279 963 S C 0.993 175.284 174.600 -0.514 0.000 1.341 963 S CA -0.683 56.763 58.200 -1.257 0.000 1.043 963 S CB 1.138 63.524 63.200 -1.356 0.000 0.887 963 S HN 0.746 nan 8.310 nan 0.000 0.516 964 Q N 1.270 120.788 119.800 -0.471 0.000 2.112 964 Q HA -0.216 4.136 4.340 0.020 0.000 0.206 964 Q C 2.202 178.097 176.000 -0.175 0.000 0.987 964 Q CA 1.833 57.496 55.803 -0.233 0.000 0.858 964 Q CB -0.477 28.149 28.738 -0.186 0.000 0.905 964 Q HN 0.832 nan 8.270 nan 0.000 0.420 965 Q N 0.530 120.198 119.800 -0.220 0.000 2.045 965 Q HA -0.249 4.103 4.340 0.020 0.000 0.206 965 Q C 2.182 178.118 176.000 -0.106 0.000 0.991 965 Q CA 1.851 57.579 55.803 -0.126 0.000 0.851 965 Q CB -0.145 28.532 28.738 -0.101 0.000 0.911 965 Q HN 0.467 nan 8.270 nan 0.000 0.418 966 Q N 0.261 119.984 119.800 -0.128 0.000 2.096 966 Q HA -0.200 4.152 4.340 0.020 0.000 0.204 966 Q C 2.174 178.119 176.000 -0.091 0.000 0.982 966 Q CA 1.365 57.125 55.803 -0.072 0.000 0.850 966 Q CB -0.116 28.616 28.738 -0.009 0.000 0.901 966 Q HN 0.365 nan 8.270 nan 0.000 0.422 967 L N -0.041 121.114 121.223 -0.113 0.000 2.017 967 L HA -0.196 4.156 4.340 0.020 0.000 0.208 967 L C 2.758 179.524 176.870 -0.174 0.000 1.073 967 L CA 1.468 56.218 54.840 -0.149 0.000 0.745 967 L CB -0.529 41.454 42.059 -0.127 0.000 0.894 967 L HN 0.361 nan 8.230 nan 0.000 0.432 968 M N 0.076 119.604 119.600 -0.121 0.000 2.108 968 M HA -0.250 4.242 4.480 0.020 0.000 0.261 968 M C 1.830 178.079 176.300 -0.084 0.000 1.066 968 M CA 1.879 57.122 55.300 -0.096 0.000 1.107 968 M CB -0.021 32.549 32.600 -0.050 0.000 1.356 968 M HN 0.170 nan 8.290 nan 0.000 0.406 969 E N -0.659 119.499 120.200 -0.072 0.000 2.489 969 E HA 0.040 4.402 4.350 0.020 0.000 0.193 969 E C -0.177 176.395 176.600 -0.046 0.000 1.057 969 E CA 0.129 56.504 56.400 -0.042 0.000 0.866 969 E CB 0.330 30.014 29.700 -0.028 0.000 0.916 969 E HN 0.346 nan 8.360 nan 0.000 0.500 970 T N -0.648 113.852 114.554 -0.090 0.000 2.888 970 T HA 0.174 4.536 4.350 0.020 0.000 0.284 970 T C 0.985 175.633 174.700 -0.087 0.000 1.017 970 T CA -0.424 61.620 62.100 -0.094 0.000 1.022 970 T CB 1.709 70.490 68.868 -0.144 0.000 1.013 970 T HN 0.059 nan 8.240 nan 0.000 0.465 971 S N 1.303 117.033 115.700 0.050 0.000 2.527 971 S HA 0.169 4.651 4.470 0.020 0.000 0.227 971 S C 0.125 174.872 174.600 0.245 0.000 1.059 971 S CA 0.012 58.350 58.200 0.230 0.000 0.919 971 S CB -0.076 63.383 63.200 0.432 0.000 0.805 971 S HN 0.692 nan 8.310 nan 0.000 0.500 972 H N 1.291 120.385 119.070 0.039 0.000 2.589 972 H HA 0.561 5.129 4.556 0.020 0.000 0.351 972 H C 0.878 176.180 175.328 -0.043 0.000 1.074 972 H CA -0.766 55.359 56.048 0.129 0.000 1.203 972 H CB 1.534 31.426 29.762 0.217 0.000 1.558 972 H HN 0.233 nan 8.280 nan 0.000 0.522 973 R N 1.463 122.087 120.500 0.206 0.000 2.127 973 R HA -0.153 4.199 4.340 0.020 0.000 0.238 973 R C 1.028 177.327 176.300 -0.002 0.000 1.134 973 R CA 1.694 57.837 56.100 0.071 0.000 0.975 973 R CB -0.438 29.942 30.300 0.133 0.000 0.865 973 R HN 0.728 nan 8.270 nan 0.000 0.447 974 H N 0.558 119.641 119.070 0.022 0.000 2.562 974 H HA 0.116 4.684 4.556 0.020 0.000 0.274 974 H C 0.931 176.150 175.328 -0.181 0.000 1.038 974 H CA 0.364 56.380 56.048 -0.052 0.000 1.161 974 H CB 0.138 29.902 29.762 0.003 0.000 1.318 974 H HN 0.297 nan 8.280 nan 0.000 0.617 975 L N 0.720 121.538 121.223 -0.675 0.000 2.858 975 L HA 0.274 4.626 4.340 0.020 0.000 0.251 975 L C 0.347 176.853 176.870 -0.606 0.000 1.149 975 L CA -0.064 54.373 54.840 -0.672 0.000 0.955 975 L CB 0.529 42.200 42.059 -0.647 0.000 1.289 975 L HN 0.128 nan 8.230 nan 0.000 0.542 976 L N -0.333 120.622 121.223 -0.448 0.000 2.395 976 L HA 0.202 4.554 4.340 0.020 0.000 0.269 976 L C -0.475 176.212 176.870 -0.304 0.000 1.133 976 L CA -0.119 54.523 54.840 -0.331 0.000 0.812 976 L CB 0.722 42.576 42.059 -0.343 0.000 1.125 976 L HN 0.088 nan 8.230 nan 0.000 0.452 977 H N 0.468 119.635 119.070 0.161 0.000 2.600 977 H HA 0.566 5.134 4.556 0.020 0.000 0.357 977 H C -0.311 175.111 175.328 0.157 0.000 1.106 977 H CA -0.841 55.288 56.048 0.136 0.000 1.193 977 H CB 1.672 31.462 29.762 0.047 0.000 1.594 977 H HN 0.755 nan 8.280 nan 0.000 0.526 978 A N 2.628 125.516 122.820 0.114 0.000 2.425 978 A HA 0.189 4.521 4.320 0.020 0.000 0.242 978 A C 0.081 177.641 177.584 -0.041 0.000 1.077 978 A CA -0.417 51.506 52.037 -0.190 0.000 0.781 978 A CB 0.261 19.121 19.000 -0.233 0.000 1.020 978 A HN 0.808 nan 8.150 nan 0.000 0.494 979 E N 0.637 120.800 120.200 -0.062 0.000 2.254 979 E HA 0.299 4.661 4.350 0.020 0.000 0.258 979 E C -0.574 176.012 176.600 -0.023 0.000 1.033 979 E CA -0.865 55.557 56.400 0.037 0.000 0.893 979 E CB 0.980 30.806 29.700 0.210 0.000 1.204 979 E HN 0.754 nan 8.360 nan 0.000 0.425 980 E N 0.287 120.474 120.200 -0.022 0.000 2.392 980 E HA 0.216 4.577 4.350 0.020 0.000 0.264 980 E C 0.381 176.911 176.600 -0.118 0.000 1.024 980 E CA 0.674 57.036 56.400 -0.063 0.000 0.903 980 E CB 0.525 30.189 29.700 -0.061 0.000 0.963 980 E HN 0.699 nan 8.360 nan 0.000 0.432 981 G N 2.508 111.246 108.800 -0.104 0.000 2.692 981 G HA2 -0.242 3.730 3.960 0.020 0.000 0.248 981 G HA3 -0.242 3.730 3.960 0.020 0.000 0.248 981 G C -0.596 174.215 174.900 -0.148 0.000 1.340 981 G CA -0.137 44.887 45.100 -0.127 0.000 0.896 981 G HN 0.575 nan 8.290 nan 0.000 0.570 982 T N -0.223 114.229 114.554 -0.169 0.000 2.848 982 T HA 0.503 4.865 4.350 0.020 0.000 0.285 982 T C -0.691 173.814 174.700 -0.325 0.000 0.995 982 T CA -0.252 61.751 62.100 -0.162 0.000 0.970 982 T CB 1.553 70.427 68.868 0.012 0.000 0.976 982 T HN 0.585 nan 8.240 nan 0.000 0.441 983 W N 3.017 124.250 121.300 -0.111 0.000 2.345 983 W HA 0.557 5.229 4.660 0.020 0.000 0.308 983 W C -0.208 176.210 176.519 -0.169 0.000 1.273 983 W CA -0.651 56.625 57.345 -0.115 0.000 1.243 983 W CB 0.593 30.002 29.460 -0.084 0.000 1.260 983 W HN 0.405 nan 8.180 nan 0.000 0.509 984 L N 5.953 127.194 121.223 0.030 0.000 2.377 984 L HA 0.475 4.827 4.340 0.020 0.000 0.270 984 L C -1.061 175.724 176.870 -0.142 0.000 0.991 984 L CA -0.332 54.409 54.840 -0.165 0.000 0.851 984 L CB 0.417 42.236 42.059 -0.400 0.000 1.218 984 L HN 0.272 nan 8.230 nan 0.000 0.420 985 N N 6.202 124.832 118.700 -0.117 0.000 2.444 985 N HA 0.437 5.189 4.740 0.020 0.000 0.262 985 N C -1.128 174.275 175.510 -0.178 0.000 0.974 985 N CA -0.113 52.860 53.050 -0.127 0.000 0.933 985 N CB 2.514 40.953 38.487 -0.079 0.000 1.137 985 N HN 0.635 nan 8.380 nan 0.000 0.498 986 I N 2.087 122.509 120.570 -0.246 0.000 2.437 986 I HA 0.197 4.379 4.170 0.020 0.000 0.279 986 I C -1.036 174.944 176.117 -0.229 0.000 1.028 986 I CA -0.605 60.515 61.300 -0.300 0.000 1.142 986 I CB 0.615 38.261 38.000 -0.590 0.000 1.266 986 I HN 0.200 nan 8.210 nan 0.000 0.461 987 D N 5.007 125.317 120.400 -0.151 0.000 2.193 987 D HA 0.292 4.944 4.640 0.020 0.000 0.244 987 D C 0.896 176.971 176.300 -0.376 0.000 1.064 987 D CA -0.155 53.698 54.000 -0.245 0.000 0.845 987 D CB 2.318 43.050 40.800 -0.113 0.000 1.148 987 D HN 0.679 nan 8.370 nan 0.000 0.464 988 G N 1.284 109.555 108.800 -0.882 0.000 2.430 988 G HA2 0.019 3.991 3.960 0.020 0.000 0.216 988 G HA3 0.019 3.991 3.960 0.020 0.000 0.216 988 G C 0.039 174.121 174.900 -1.363 0.000 1.146 988 G CA 0.476 44.767 45.100 -1.348 0.000 0.793 988 G HN 0.394 nan 8.290 nan 0.000 0.537 989 F N -2.102 117.688 119.950 -0.266 0.000 2.635 989 F HA 0.498 5.037 4.527 0.020 0.000 0.314 989 F C -0.732 174.995 175.800 -0.122 0.000 1.119 989 F CA -1.342 56.587 58.000 -0.118 0.000 1.000 989 F CB 1.503 40.432 39.000 -0.118 0.000 1.278 989 F HN 0.005 nan 8.300 nan 0.000 0.446 990 H N 2.211 121.319 119.070 0.063 0.000 2.637 990 H HA 0.687 5.255 4.556 0.020 0.000 0.363 990 H C -0.643 174.726 175.328 0.069 0.000 1.131 990 H CA -1.054 55.002 56.048 0.013 0.000 1.183 990 H CB 1.883 31.625 29.762 -0.034 0.000 1.637 990 H HN 0.784 nan 8.280 nan 0.000 0.531 991 M N 3.997 123.486 119.600 -0.185 0.000 2.242 991 M HA 0.399 4.891 4.480 0.020 0.000 0.344 991 M C 0.354 176.740 176.300 0.143 0.000 1.140 991 M CA 0.191 55.482 55.300 -0.015 0.000 1.160 991 M CB 0.873 33.377 32.600 -0.159 0.000 1.491 991 M HN 0.687 nan 8.290 nan 0.000 0.459 992 G N 3.054 111.924 108.800 0.117 0.000 2.794 992 G HA2 0.275 4.247 3.960 0.020 0.000 0.249 992 G HA3 0.275 4.247 3.960 0.020 0.000 0.249 992 G C 0.392 175.255 174.900 -0.063 0.000 1.236 992 G CA -0.031 45.070 45.100 0.002 0.000 0.880 992 G HN 1.060 nan 8.290 nan 0.000 0.586 993 I N -2.504 117.982 120.570 -0.141 0.000 4.032 993 I HA 0.522 4.704 4.170 0.020 0.000 0.313 993 I C 1.264 177.304 176.117 -0.128 0.000 1.272 993 I CA 0.407 61.603 61.300 -0.173 0.000 1.307 993 I CB -0.231 37.582 38.000 -0.311 0.000 1.155 993 I HN 1.077 nan 8.210 nan 0.000 0.431 994 G N 1.117 109.861 108.800 -0.093 0.000 2.527 994 G HA2 0.184 4.156 3.960 0.020 0.000 0.227 994 G HA3 0.184 4.156 3.960 0.020 0.000 0.227 994 G C 0.501 175.394 174.900 -0.012 0.000 1.291 994 G CA -0.008 45.076 45.100 -0.026 0.000 0.904 994 G HN 1.224 nan 8.290 nan 0.000 0.577 995 G N -2.188 106.622 108.800 0.018 0.000 3.345 995 G HA2 -0.012 3.960 3.960 0.020 0.000 0.199 995 G HA3 -0.012 3.960 3.960 0.020 0.000 0.199 995 G C 0.828 175.807 174.900 0.132 0.000 1.057 995 G CA 0.879 46.016 45.100 0.063 0.000 0.865 995 G HN 1.180 nan 8.290 nan 0.000 0.449 996 D N 1.614 122.113 120.400 0.166 0.000 2.200 996 D HA 0.026 4.678 4.640 0.020 0.000 0.192 996 D C 0.979 177.371 176.300 0.152 0.000 1.008 996 D CA 2.204 56.356 54.000 0.253 0.000 0.872 996 D CB -0.073 40.851 40.800 0.207 0.000 0.923 996 D HN 0.851 nan 8.370 nan 0.000 0.447 997 D N -3.835 116.423 120.400 -0.237 0.000 2.615 997 D HA 0.422 5.073 4.640 0.020 0.000 0.267 997 D C -0.793 175.002 176.300 -0.841 0.000 1.236 997 D CA -0.757 52.650 54.000 -0.988 0.000 0.839 997 D CB 1.019 40.743 40.800 -1.794 0.000 1.380 997 D HN -0.279 nan 8.370 nan 0.000 0.433 998 S N -0.587 114.440 115.700 -1.120 0.000 2.664 998 S HA 0.226 4.708 4.470 0.020 0.000 0.245 998 S C -0.762 173.864 174.600 0.044 0.000 1.019 998 S CA -0.707 57.343 58.200 -0.251 0.000 0.996 998 S CB -0.371 62.950 63.200 0.201 0.000 0.878 998 S HN 0.600 nan 8.310 nan 0.000 0.493 999 W N 1.424 122.680 121.300 -0.073 0.000 1.832 999 W HA 0.647 5.318 4.660 0.019 0.000 0.297 999 W C -0.144 176.331 176.519 -0.073 0.000 0.891 999 W CA -0.689 56.606 57.345 -0.084 0.000 2.000 999 W CB -0.624 28.694 29.460 -0.237 0.000 1.081 999 W HN 0.139 nan 8.180 nan 0.000 0.499 1000 S N -1.438 114.165 115.700 -0.161 0.000 2.611 1000 S HA 0.550 5.032 4.470 0.020 0.000 0.270 1000 S C -3.268 171.272 174.600 -0.100 0.000 1.131 1000 S CA -1.348 56.793 58.200 -0.098 0.000 0.826 1000 S CB 1.248 64.395 63.200 -0.088 0.000 1.095 1000 S HN -0.184 nan 8.310 nan 0.000 0.461 1001 P HA 0.343 nan 4.420 nan 0.000 0.271 1001 P C 0.030 177.367 177.300 0.062 0.000 1.226 1001 P CA -0.270 62.873 63.100 0.072 0.000 0.765 1001 P CB 0.743 32.471 31.700 0.046 0.000 0.835 1002 S N 0.323 116.077 115.700 0.090 0.000 2.629 1002 S HA 0.123 4.605 4.470 0.020 0.000 0.236 1002 S C 0.498 175.164 174.600 0.111 0.000 1.010 1002 S CA -0.295 57.944 58.200 0.064 0.000 0.981 1002 S CB 0.162 63.368 63.200 0.011 0.000 0.919 1002 S HN 0.195 nan 8.310 nan 0.000 0.514 1003 V N 2.830 122.852 119.914 0.179 0.000 2.389 1003 V HA 0.276 4.408 4.120 0.020 0.000 0.264 1003 V C 0.570 176.807 176.094 0.238 0.000 1.049 1003 V CA -0.312 62.095 62.300 0.178 0.000 0.932 1003 V CB 1.049 32.916 31.823 0.073 0.000 1.011 1003 V HN 0.352 nan 8.190 nan 0.000 0.475 1004 S N 4.240 120.105 115.700 0.275 0.000 2.537 1004 S HA 0.230 4.712 4.470 0.020 0.000 0.286 1004 S C 1.630 176.348 174.600 0.196 0.000 1.299 1004 S CA 0.129 58.478 58.200 0.249 0.000 1.067 1004 S CB 0.949 64.308 63.200 0.265 0.000 0.864 1004 S HN 1.013 nan 8.310 nan 0.000 0.494 1005 A N 4.349 127.244 122.820 0.125 0.000 1.929 1005 A HA -0.236 4.096 4.320 0.020 0.000 0.221 1005 A C 2.023 179.617 177.584 0.016 0.000 1.211 1005 A CA 2.196 54.288 52.037 0.091 0.000 0.657 1005 A CB -0.743 18.288 19.000 0.052 0.000 0.827 1005 A HN 0.971 nan 8.150 nan 0.000 0.462 1006 E N -1.180 118.957 120.200 -0.106 0.000 2.463 1006 E HA -0.135 4.227 4.350 0.020 0.000 0.201 1006 E C 0.979 177.341 176.600 -0.397 0.000 1.045 1006 E CA 0.967 57.178 56.400 -0.315 0.000 0.872 1006 E CB -0.424 28.958 29.700 -0.530 0.000 0.797 1006 E HN 0.753 nan 8.360 nan 0.000 0.538 1007 F N 1.091 121.069 119.950 0.048 0.000 2.682 1007 F HA 0.228 4.766 4.527 0.019 0.000 0.308 1007 F C 0.885 176.699 175.800 0.022 0.000 1.093 1007 F CA -0.608 57.422 58.000 0.050 0.000 1.244 1007 F CB 0.634 39.666 39.000 0.054 0.000 1.052 1007 F HN -0.172 nan 8.300 nan 0.000 0.573 1008 Q N 1.326 121.213 119.800 0.145 0.000 2.222 1008 Q HA 0.375 4.727 4.340 0.020 0.000 0.252 1008 Q C -0.002 175.973 176.000 -0.043 0.000 0.926 1008 Q CA -0.624 55.217 55.803 0.063 0.000 0.899 1008 Q CB 2.002 30.825 28.738 0.142 0.000 1.250 1008 Q HN 0.289 nan 8.270 nan 0.000 0.441 1009 L N 2.058 123.240 121.223 -0.069 0.000 2.650 1009 L HA 0.029 4.381 4.340 0.020 0.000 0.239 1009 L C 1.087 177.844 176.870 -0.188 0.000 1.412 1009 L CA -0.076 54.725 54.840 -0.064 0.000 1.219 1009 L CB -0.776 41.173 42.059 -0.182 0.000 1.534 1009 L HN 0.694 nan 8.230 nan 0.000 0.430 1010 S N -1.171 114.310 115.700 -0.364 0.000 2.607 1010 S HA -0.010 4.472 4.470 0.020 0.000 0.224 1010 S C 2.044 176.623 174.600 -0.035 0.000 0.969 1010 S CA 0.359 58.331 58.200 -0.379 0.000 0.927 1010 S CB 0.231 63.255 63.200 -0.294 0.000 0.772 1010 S HN 0.548 nan 8.310 nan 0.000 0.533 1011 A N 2.019 124.836 122.820 -0.006 0.000 1.908 1011 A HA 0.294 4.626 4.320 0.020 0.000 0.218 1011 A C 2.282 179.815 177.584 -0.086 0.000 1.181 1011 A CA 1.713 53.620 52.037 -0.216 0.000 0.627 1011 A CB -1.563 16.913 19.000 -0.874 0.000 0.818 1011 A HN 1.532 nan 8.150 nan 0.000 0.445 1012 G N -2.209 106.675 108.800 0.141 0.000 2.267 1012 G HA2 -0.280 3.692 3.960 0.020 0.000 0.257 1012 G HA3 -0.280 3.692 3.960 0.020 0.000 0.257 1012 G C 0.366 175.336 174.900 0.116 0.000 0.998 1012 G CA 0.612 45.802 45.100 0.149 0.000 0.620 1012 G HN 0.767 nan 8.290 nan 0.000 0.529 1013 R N -0.945 119.533 120.500 -0.037 0.000 2.522 1013 R HA 0.623 4.975 4.340 0.020 0.000 0.283 1013 R C -1.601 174.502 176.300 -0.329 0.000 1.074 1013 R CA -0.614 55.463 56.100 -0.038 0.000 0.925 1013 R CB 1.396 31.671 30.300 -0.042 0.000 1.205 1013 R HN 0.174 nan 8.270 nan 0.000 0.436 1014 Y N 0.323 120.605 120.300 -0.030 0.000 2.499 1014 Y HA 0.411 4.973 4.550 0.020 0.000 0.347 1014 Y C -0.405 175.667 175.900 0.287 0.000 0.987 1014 Y CA -0.784 57.286 58.100 -0.050 0.000 1.044 1014 Y CB 2.271 40.539 38.460 -0.320 0.000 1.245 1014 Y HN 0.549 nan 8.280 nan 0.000 0.461 1015 H N 2.382 121.782 119.070 0.550 0.000 2.667 1015 H HA 0.589 5.157 4.556 0.020 0.000 0.353 1015 H C -1.805 173.888 175.328 0.609 0.000 1.072 1015 H CA -0.839 55.487 56.048 0.464 0.000 1.214 1015 H CB 1.279 31.197 29.762 0.260 0.000 1.600 1015 H HN 0.616 nan 8.280 nan 0.000 0.527 1016 Y N 2.784 123.195 120.300 0.185 0.000 2.521 1016 Y HA 0.266 4.828 4.550 0.020 0.000 0.332 1016 Y C -2.085 173.879 175.900 0.107 0.000 1.121 1016 Y CA -1.054 57.178 58.100 0.220 0.000 1.037 1016 Y CB 1.423 39.930 38.460 0.078 0.000 1.330 1016 Y HN 0.652 nan 8.280 nan 0.000 0.452 1017 Q N 5.850 125.783 119.800 0.222 0.000 2.320 1017 Q HA 0.533 4.885 4.340 0.020 0.000 0.268 1017 Q C -2.249 173.856 176.000 0.174 0.000 1.023 1017 Q CA -0.645 55.229 55.803 0.119 0.000 0.744 1017 Q CB 2.308 31.141 28.738 0.158 0.000 1.246 1017 Q HN 1.022 nan 8.270 nan 0.000 0.462 1018 L N 2.547 123.834 121.223 0.106 0.000 2.358 1018 L HA 0.660 5.012 4.340 0.020 0.000 0.268 1018 L C -0.796 176.175 176.870 0.168 0.000 1.032 1018 L CA -1.013 53.917 54.840 0.149 0.000 0.805 1018 L CB 2.191 44.303 42.059 0.089 0.000 1.253 1018 L HN 0.540 nan 8.230 nan 0.000 0.452 1019 V N 1.149 121.196 119.914 0.221 0.000 2.483 1019 V HA 0.303 4.435 4.120 0.020 0.000 0.297 1019 V C -1.489 174.780 176.094 0.292 0.000 1.027 1019 V CA -0.392 62.048 62.300 0.233 0.000 0.855 1019 V CB 1.942 33.884 31.823 0.198 0.000 0.995 1019 V HN 0.596 nan 8.190 nan 0.000 0.424 1020 W N 8.044 129.403 121.300 0.099 0.000 2.322 1020 W HA 0.603 5.275 4.660 0.020 0.000 0.321 1020 W C 0.068 176.593 176.519 0.010 0.000 0.991 1020 W CA -1.303 56.044 57.345 0.004 0.000 1.448 1020 W CB 0.992 30.515 29.460 0.104 0.000 1.239 1020 W HN 0.783 nan 8.180 nan 0.000 0.399 1021 C N 3.392 122.912 119.300 0.367 0.000 2.564 1021 C HA 0.810 5.282 4.460 0.020 0.000 0.381 1021 C C -0.425 174.637 174.990 0.120 0.000 1.297 1021 C CA -0.728 58.408 59.018 0.197 0.000 1.846 1021 C CB 1.808 29.623 27.740 0.125 0.000 2.198 1021 C HN 0.519 nan 8.230 nan 0.000 0.507 1022 Q N 1.092 120.904 119.800 0.020 0.000 2.292 1022 Q HA 0.454 4.806 4.340 0.020 0.000 0.270 1022 Q C -1.074 174.876 176.000 -0.082 0.000 1.024 1022 Q CA -0.279 55.468 55.803 -0.092 0.000 0.768 1022 Q CB 2.061 30.716 28.738 -0.138 0.000 1.250 1022 Q HN 0.959 nan 8.270 nan 0.000 0.447 1023 K N 0.000 120.334 120.400 -0.110 0.000 2.780 1023 K HA 0.000 4.332 4.320 0.020 0.000 0.191 1023 K CA 0.000 56.242 56.287 -0.074 0.000 0.838 1023 K CB 0.000 32.473 32.500 -0.045 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543