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 1bgl_1_F DATA FIRST_RESID 3 DATA SEQUENCE ITDSLAVVLQ RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR DATA SEQUENCE SLNGEWRFAW FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN DATA SEQUENCE VTYPITVNPP FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL DATA SEQUENCE WCNGRWVGYG QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM DATA SEQUENCE WRMSGIFRDV SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD DATA SEQUENCE YLRVTVSLWQ GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS DATA SEQUENCE AEIPNLYRAV VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR DATA SEQUENCE GVNRHEHHPL HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DATA SEQUENCE DRYGLYVVDE ANIETHGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS DATA SEQUENCE VIIWSLGNES GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM DATA SEQUENCE YARVDEDQPF PAVPKWSIKK WLSLPGETRP LILCEYAHAM GNSLGGFAKY DATA SEQUENCE WQAFRQYPRL QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC DATA SEQUENCE MNGLVFADRT PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL DATA SEQUENCE HWMVALDGKP LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ DATA SEQUENCE PNATAWSEAG HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFCIELG DATA SEQUENCE NKRWQFNRQS GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID DATA SEQUENCE PNAWVERWKA AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS DATA SEQUENCE RKTYRIDGSG QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP DATA SEQUENCE QENYPDRLTA ACFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR DATA SEQUENCE GDFQFNISRY SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS DATA SEQUENCE VSAEFQLSAG 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 3 I HA 0.000 nan 4.170 nan 0.000 0.288 3 I C 0.000 176.147 176.117 0.049 0.000 1.063 3 I CA 0.000 61.329 61.300 0.049 0.000 1.566 3 I CB 0.000 38.018 38.000 0.030 0.000 1.214 4 T N -2.597 111.995 114.554 0.062 0.000 3.014 4 T HA 0.103 4.453 4.350 -0.000 0.000 0.263 4 T C 1.182 175.923 174.700 0.068 0.000 1.078 4 T CA 1.337 63.462 62.100 0.042 0.000 1.135 4 T CB -0.533 68.360 68.868 0.041 0.000 0.895 4 T HN 0.261 nan 8.240 nan 0.000 0.480 5 D N 2.536 123.029 120.400 0.156 0.000 2.378 5 D HA 0.067 4.707 4.640 -0.000 0.000 0.227 5 D C 0.936 177.443 176.300 0.345 0.000 1.012 5 D CA 0.226 54.408 54.000 0.303 0.000 0.905 5 D CB -0.234 40.769 40.800 0.338 0.000 0.895 5 D HN 0.590 nan 8.370 nan 0.000 0.532 6 S N -0.223 115.572 115.700 0.159 0.000 2.580 6 S HA 0.076 4.546 4.470 -0.000 0.000 0.274 6 S C 1.338 175.997 174.600 0.099 0.000 1.329 6 S CA -0.756 57.503 58.200 0.099 0.000 1.036 6 S CB 1.149 64.372 63.200 0.039 0.000 0.919 6 S HN -0.103 nan 8.310 nan 0.000 0.515 7 L N 4.089 125.351 121.223 0.065 0.000 1.990 7 L HA -0.028 4.312 4.340 -0.000 0.000 0.213 7 L C 2.975 179.859 176.870 0.023 0.000 1.072 7 L CA 2.594 57.469 54.840 0.059 0.000 0.755 7 L CB -1.688 40.360 42.059 -0.017 0.000 0.889 7 L HN 0.987 nan 8.230 nan 0.000 0.432 8 A N -1.319 121.504 122.820 0.005 0.000 1.986 8 A HA -0.168 4.152 4.320 -0.000 0.000 0.220 8 A C 2.285 179.860 177.584 -0.014 0.000 1.171 8 A CA 2.102 54.139 52.037 -0.000 0.000 0.640 8 A CB -0.844 18.153 19.000 -0.004 0.000 0.811 8 A HN 0.272 nan 8.150 nan 0.000 0.451 9 V N -0.955 118.943 119.914 -0.027 0.000 2.256 9 V HA -0.160 3.960 4.120 -0.000 0.000 0.240 9 V C 2.468 178.481 176.094 -0.135 0.000 1.036 9 V CA 1.612 63.873 62.300 -0.066 0.000 1.008 9 V CB -1.045 30.743 31.823 -0.058 0.000 0.648 9 V HN 0.305 nan 8.190 nan 0.000 0.453 10 V N 0.722 120.521 119.914 -0.192 0.000 2.453 10 V HA -0.225 3.895 4.120 -0.000 0.000 0.252 10 V C 1.864 177.798 176.094 -0.267 0.000 1.068 10 V CA 1.882 63.942 62.300 -0.399 0.000 1.070 10 V CB -0.665 30.805 31.823 -0.587 0.000 0.664 10 V HN 0.513 nan 8.190 nan 0.000 0.461 11 L N -0.238 120.949 121.223 -0.060 0.000 2.685 11 L HA 0.164 4.504 4.340 -0.000 0.000 0.233 11 L C 1.981 178.893 176.870 0.070 0.000 1.173 11 L CA 0.083 55.010 54.840 0.145 0.000 0.961 11 L CB -0.320 41.936 42.059 0.329 0.000 1.217 11 L HN 0.284 nan 8.230 nan 0.000 0.478 12 Q N 1.567 121.337 119.800 -0.049 0.000 2.212 12 Q HA -0.101 4.239 4.340 -0.000 0.000 0.199 12 Q C 2.154 178.077 176.000 -0.128 0.000 0.950 12 Q CA 1.348 57.116 55.803 -0.059 0.000 0.863 12 Q CB 0.168 28.867 28.738 -0.064 0.000 0.944 12 Q HN 0.441 nan 8.270 nan 0.000 0.465 13 R N 0.041 120.424 120.500 -0.196 0.000 2.092 13 R HA 0.142 4.482 4.340 -0.000 0.000 0.231 13 R C 0.201 176.251 176.300 -0.417 0.000 1.119 13 R CA 0.840 56.783 56.100 -0.261 0.000 0.970 13 R CB -0.300 29.848 30.300 -0.253 0.000 0.864 13 R HN 0.044 nan 8.270 nan 0.000 0.440 14 R N 0.896 120.985 120.500 -0.685 0.000 3.184 14 R HA -0.145 4.195 4.340 -0.000 0.000 0.257 14 R C -0.625 174.937 176.300 -1.230 0.000 0.999 14 R CA 0.313 55.505 56.100 -1.513 0.000 0.670 14 R CB -1.421 28.331 30.300 -0.912 0.000 1.197 14 R HN 0.387 nan 8.270 nan 0.000 0.419 15 D N 0.064 119.918 120.400 -0.909 0.000 2.123 15 D HA -0.195 4.445 4.640 -0.000 0.000 0.196 15 D C 1.723 177.833 176.300 -0.316 0.000 0.992 15 D CA 2.013 55.679 54.000 -0.557 0.000 0.833 15 D CB -0.239 40.111 40.800 -0.750 0.000 0.954 15 D HN 0.725 nan 8.370 nan 0.000 0.455 16 W N 2.099 123.406 121.300 0.012 0.000 2.560 16 W HA -0.049 4.611 4.660 -0.000 0.000 0.252 16 W C 0.695 177.294 176.519 0.133 0.000 1.242 16 W CA 0.353 57.799 57.345 0.168 0.000 1.242 16 W CB -0.680 28.901 29.460 0.202 0.000 1.136 16 W HN -0.040 nan 8.180 nan 0.000 0.625 17 E N 0.439 120.376 120.200 -0.437 0.000 2.685 17 E HA 0.076 4.426 4.350 -0.000 0.000 0.208 17 E C -0.520 175.909 176.600 -0.284 0.000 0.996 17 E CA -0.244 56.026 56.400 -0.217 0.000 1.054 17 E CB -0.289 29.344 29.700 -0.112 0.000 1.075 17 E HN 0.073 nan 8.360 nan 0.000 0.460 18 N N 1.472 120.031 118.700 -0.235 0.000 2.480 18 N HA 0.169 4.909 4.740 -0.000 0.000 0.289 18 N C -2.299 173.066 175.510 -0.242 0.000 1.073 18 N CA -2.338 50.552 53.050 -0.266 0.000 0.885 18 N CB 1.718 40.054 38.487 -0.251 0.000 1.421 18 N HN -0.242 nan 8.380 nan 0.000 0.503 19 P HA 0.111 nan 4.420 nan 0.000 0.237 19 P C 0.997 178.065 177.300 -0.387 0.000 1.178 19 P CA 0.470 63.254 63.100 -0.528 0.000 0.766 19 P CB 0.218 31.192 31.700 -1.209 0.000 0.876 20 G N -0.078 108.545 108.800 -0.296 0.000 2.411 20 G HA2 -0.003 3.957 3.960 -0.000 0.000 0.213 20 G HA3 -0.003 3.957 3.960 -0.000 0.000 0.213 20 G C 0.376 175.199 174.900 -0.128 0.000 1.166 20 G CA 0.232 45.207 45.100 -0.209 0.000 0.802 20 G HN 0.173 nan 8.290 nan 0.000 0.533 21 V N 1.196 121.052 119.914 -0.097 0.000 2.439 21 V HA 0.495 4.615 4.120 -0.000 0.000 0.282 21 V C 0.999 177.138 176.094 0.075 0.000 1.039 21 V CA 0.487 62.786 62.300 -0.002 0.000 0.913 21 V CB 1.401 33.221 31.823 -0.006 0.000 0.983 21 V HN 0.393 nan 8.190 nan 0.000 0.460 22 T N 0.460 115.061 114.554 0.077 0.000 3.046 22 T HA 0.286 4.636 4.350 -0.000 0.000 0.270 22 T C 0.143 174.802 174.700 -0.069 0.000 0.920 22 T CA 0.152 62.267 62.100 0.025 0.000 0.874 22 T CB 0.507 69.358 68.868 -0.030 0.000 1.214 22 T HN 0.685 nan 8.240 nan 0.000 0.536 23 Q N 0.409 120.226 119.800 0.029 0.000 2.693 23 Q HA 0.830 5.170 4.340 -0.000 0.000 0.306 23 Q C -1.988 174.116 176.000 0.173 0.000 0.969 23 Q CA -1.109 54.685 55.803 -0.014 0.000 0.757 23 Q CB 1.391 30.072 28.738 -0.096 0.000 1.494 23 Q HN 0.139 nan 8.270 nan 0.000 0.459 24 L N 1.763 123.097 121.223 0.185 0.000 2.929 24 L HA 0.413 4.753 4.340 -0.000 0.000 0.246 24 L C -1.461 175.539 176.870 0.217 0.000 0.960 24 L CA 0.306 55.301 54.840 0.259 0.000 1.056 24 L CB 1.056 43.389 42.059 0.458 0.000 1.437 24 L HN 0.784 nan 8.230 nan 0.000 0.514 25 N N 0.970 119.741 118.700 0.119 0.000 2.937 25 N HA -0.177 4.563 4.740 -0.000 0.000 0.248 25 N C 0.214 175.723 175.510 -0.003 0.000 1.069 25 N CA 0.920 54.029 53.050 0.098 0.000 0.822 25 N CB -0.797 37.744 38.487 0.091 0.000 1.122 25 N HN 0.677 nan 8.380 nan 0.000 0.554 26 R N 1.413 121.799 120.500 -0.190 0.000 2.265 26 R HA 0.442 4.782 4.340 -0.000 0.000 0.314 26 R C 0.853 176.982 176.300 -0.284 0.000 1.053 26 R CA -0.460 55.317 56.100 -0.538 0.000 0.931 26 R CB 0.571 30.532 30.300 -0.565 0.000 1.024 26 R HN 0.128 nan 8.270 nan 0.000 0.457 27 L N 2.431 123.494 121.223 -0.267 0.000 2.371 27 L HA 0.142 4.482 4.340 -0.000 0.000 0.234 27 L C 0.738 177.574 176.870 -0.057 0.000 1.230 27 L CA -0.034 54.749 54.840 -0.094 0.000 0.825 27 L CB 0.017 42.062 42.059 -0.023 0.000 1.157 27 L HN 0.740 nan 8.230 nan 0.000 0.565 28 A N -0.209 122.628 122.820 0.028 0.000 2.282 28 A HA 0.685 5.005 4.320 -0.000 0.000 0.319 28 A C -0.108 177.547 177.584 0.117 0.000 1.121 28 A CA -0.289 51.776 52.037 0.047 0.000 0.836 28 A CB 0.866 19.901 19.000 0.058 0.000 1.146 28 A HN 0.713 nan 8.150 nan 0.000 0.494 29 A N 0.842 123.672 122.820 0.017 0.000 2.386 29 A HA 0.664 4.984 4.320 -0.000 0.000 0.248 29 A C 0.043 177.619 177.584 -0.013 0.000 1.082 29 A CA 0.550 52.531 52.037 -0.094 0.000 0.789 29 A CB -0.220 18.706 19.000 -0.124 0.000 1.025 29 A HN 1.897 nan 8.150 nan 0.000 0.490 30 H N -1.943 117.030 119.070 -0.162 0.000 2.935 30 H HA 0.583 5.139 4.556 -0.000 0.000 0.297 30 H C -3.383 171.710 175.328 -0.391 0.000 1.423 30 H CA -1.771 54.133 56.048 -0.241 0.000 1.161 30 H CB 0.071 29.671 29.762 -0.270 0.000 1.841 30 H HN 0.386 nan 8.280 nan 0.000 0.506 31 P HA 0.172 nan 4.420 nan 0.000 0.272 31 P C -2.566 174.513 177.300 -0.368 0.000 1.223 31 P CA -1.283 61.626 63.100 -0.318 0.000 0.784 31 P CB -0.332 31.142 31.700 -0.376 0.000 0.923 32 P HA -0.006 nan 4.420 nan 0.000 0.260 32 P C -0.893 176.504 177.300 0.162 0.000 1.172 32 P CA 1.087 64.172 63.100 -0.025 0.000 0.760 32 P CB -0.207 31.551 31.700 0.096 0.000 0.773 33 F N 1.694 121.819 119.950 0.292 0.000 2.546 33 F HA 0.608 5.135 4.527 -0.000 0.000 0.320 33 F C 1.003 176.863 175.800 0.101 0.000 1.076 33 F CA -1.218 56.915 58.000 0.222 0.000 0.928 33 F CB 1.299 40.378 39.000 0.131 0.000 1.189 33 F HN 0.284 nan 8.300 nan 0.000 0.465 34 A N 0.551 123.505 122.820 0.224 0.000 2.066 34 A HA 0.383 4.703 4.320 -0.000 0.000 0.198 34 A C 0.757 178.210 177.584 -0.219 0.000 1.405 34 A CA 0.724 52.647 52.037 -0.189 0.000 0.973 34 A CB -0.267 18.205 19.000 -0.880 0.000 1.026 34 A HN 1.147 nan 8.150 nan 0.000 0.474 35 S N -0.558 115.117 115.700 -0.042 0.000 4.064 35 S HA -0.115 4.355 4.470 -0.000 0.000 0.405 35 S C -0.067 174.534 174.600 0.002 0.000 0.923 35 S CA 0.270 58.454 58.200 -0.027 0.000 1.172 35 S CB -2.128 61.021 63.200 -0.085 0.000 0.833 35 S HN 0.471 nan 8.310 nan 0.000 0.528 36 W N 1.599 122.906 121.300 0.012 0.000 2.073 36 W HA 0.247 4.907 4.660 -0.000 0.000 0.358 36 W C 1.540 178.063 176.519 0.006 0.000 1.321 36 W CA -0.232 57.124 57.345 0.017 0.000 1.317 36 W CB 0.141 29.606 29.460 0.008 0.000 1.226 36 W HN 0.406 nan 8.180 nan 0.000 0.622 37 R N 0.701 121.365 120.500 0.274 0.000 2.549 37 R HA 0.053 4.393 4.340 -0.000 0.000 0.399 37 R C -0.772 175.613 176.300 0.141 0.000 0.964 37 R CA -0.276 55.917 56.100 0.155 0.000 1.173 37 R CB -0.385 29.982 30.300 0.112 0.000 1.535 37 R HN 0.458 nan 8.270 nan 0.000 0.551 38 N N -0.586 118.224 118.700 0.183 0.000 2.542 38 N HA 0.005 4.745 4.740 -0.000 0.000 0.288 38 N C 0.432 175.967 175.510 0.042 0.000 1.115 38 N CA -0.048 53.064 53.050 0.103 0.000 0.924 38 N CB 1.737 40.286 38.487 0.102 0.000 1.526 38 N HN -0.172 nan 8.380 nan 0.000 0.515 39 S N 2.582 118.268 115.700 -0.023 0.000 2.365 39 S HA -0.220 4.250 4.470 -0.000 0.000 0.225 39 S C 1.253 175.732 174.600 -0.201 0.000 1.039 39 S CA 1.770 59.906 58.200 -0.106 0.000 1.033 39 S CB -0.418 62.736 63.200 -0.077 0.000 0.887 39 S HN 0.678 nan 8.310 nan 0.000 0.447 40 E N 0.568 120.682 120.200 -0.145 0.000 2.048 40 E HA -0.225 4.125 4.350 -0.000 0.000 0.202 40 E C 2.221 178.687 176.600 -0.222 0.000 1.021 40 E CA 1.820 58.107 56.400 -0.189 0.000 0.825 40 E CB -0.343 29.275 29.700 -0.136 0.000 0.756 40 E HN 0.699 nan 8.360 nan 0.000 0.454 41 E N -0.054 120.076 120.200 -0.117 0.000 2.035 41 E HA -0.259 4.091 4.350 -0.000 0.000 0.204 41 E C 2.005 178.254 176.600 -0.585 0.000 1.025 41 E CA 1.269 57.636 56.400 -0.054 0.000 0.835 41 E CB -0.238 29.677 29.700 0.358 0.000 0.764 41 E HN 0.263 nan 8.360 nan 0.000 0.457 42 A N 1.122 123.105 122.820 -1.395 0.000 2.131 42 A HA -0.214 4.106 4.320 -0.000 0.000 0.220 42 A C 2.019 178.990 177.584 -1.022 0.000 1.158 42 A CA 1.603 52.287 52.037 -2.255 0.000 0.665 42 A CB -0.510 17.456 19.000 -1.723 0.000 0.795 42 A HN 0.157 nan 8.150 nan 0.000 0.460 43 R N 0.105 120.227 120.500 -0.629 0.000 2.119 43 R HA -0.062 4.278 4.340 -0.000 0.000 0.222 43 R C 0.914 176.993 176.300 -0.368 0.000 1.088 43 R CA 1.730 57.542 56.100 -0.480 0.000 0.984 43 R CB -0.217 29.740 30.300 -0.572 0.000 0.884 43 R HN 0.474 nan 8.270 nan 0.000 0.447 44 T N -2.083 112.281 114.554 -0.318 0.000 3.268 44 T HA 0.187 4.537 4.350 -0.000 0.000 0.258 44 T C 0.051 174.704 174.700 -0.078 0.000 0.966 44 T CA -0.311 61.684 62.100 -0.176 0.000 0.952 44 T CB 0.535 69.315 68.868 -0.146 0.000 1.132 44 T HN 0.168 nan 8.240 nan 0.000 0.536 45 D N 1.631 121.964 120.400 -0.112 0.000 3.043 45 D HA -0.205 4.435 4.640 -0.000 0.000 0.215 45 D C 0.679 177.173 176.300 0.324 0.000 1.165 45 D CA 0.884 54.950 54.000 0.110 0.000 0.953 45 D CB -0.475 40.401 40.800 0.126 0.000 1.115 45 D HN 0.675 nan 8.370 nan 0.000 0.392 46 R N -0.103 120.553 120.500 0.260 0.000 2.890 46 R HA 0.057 4.397 4.340 -0.000 0.000 0.271 46 R C -2.223 174.337 176.300 0.434 0.000 0.983 46 R CA -0.219 56.068 56.100 0.312 0.000 1.145 46 R CB -0.603 29.833 30.300 0.228 0.000 1.050 46 R HN 0.130 nan 8.270 nan 0.000 0.465 47 P HA 0.053 nan 4.420 nan 0.000 0.287 47 P C -0.653 176.633 177.300 -0.023 0.000 1.281 47 P CA -0.012 63.149 63.100 0.103 0.000 0.781 47 P CB 1.382 33.127 31.700 0.075 0.000 0.903 48 S N 2.722 118.265 115.700 -0.260 0.000 2.465 48 S HA 0.064 4.534 4.470 -0.000 0.000 0.279 48 S C 1.116 175.640 174.600 -0.128 0.000 1.201 48 S CA -0.382 57.589 58.200 -0.382 0.000 1.053 48 S CB 0.192 62.888 63.200 -0.840 0.000 0.953 48 S HN 0.304 nan 8.310 nan 0.000 0.488 49 Q N 3.136 122.913 119.800 -0.038 0.000 2.500 49 Q HA -0.080 4.260 4.340 -0.000 0.000 0.213 49 Q C 0.892 177.000 176.000 0.179 0.000 0.974 49 Q CA 0.788 56.629 55.803 0.063 0.000 0.918 49 Q CB -0.115 28.669 28.738 0.077 0.000 0.980 49 Q HN 0.702 nan 8.270 nan 0.000 0.505 50 Q N -0.106 119.758 119.800 0.107 0.000 2.356 50 Q HA 0.131 4.471 4.340 -0.000 0.000 0.205 50 Q C -0.457 175.675 176.000 0.220 0.000 0.901 50 Q CA 0.164 56.100 55.803 0.222 0.000 0.938 50 Q CB 0.606 29.374 28.738 0.050 0.000 1.081 50 Q HN 0.121 nan 8.270 nan 0.000 0.517 51 L N 1.021 122.302 121.223 0.097 0.000 2.272 51 L HA 0.437 4.777 4.340 -0.000 0.000 0.289 51 L C -1.030 175.907 176.870 0.113 0.000 1.032 51 L CA -0.153 54.734 54.840 0.077 0.000 0.810 51 L CB 0.941 42.974 42.059 -0.045 0.000 1.205 51 L HN -0.091 nan 8.230 nan 0.000 0.422 52 R N 2.823 123.411 120.500 0.147 0.000 2.575 52 R HA 0.393 4.733 4.340 -0.000 0.000 0.293 52 R C -1.012 175.306 176.300 0.030 0.000 0.983 52 R CA -0.513 55.634 56.100 0.078 0.000 0.887 52 R CB 2.167 32.506 30.300 0.066 0.000 1.184 52 R HN 0.698 nan 8.270 nan 0.000 0.445 53 S N 3.149 118.853 115.700 0.007 0.000 2.537 53 S HA 0.292 4.762 4.470 -0.000 0.000 0.275 53 S C 0.952 175.547 174.600 -0.009 0.000 1.272 53 S CA -0.472 57.728 58.200 0.001 0.000 1.050 53 S CB 0.529 63.740 63.200 0.018 0.000 0.961 53 S HN 0.565 nan 8.310 nan 0.000 0.496 54 L N 3.572 124.798 121.223 0.004 0.000 2.769 54 L HA 0.281 4.621 4.340 -0.000 0.000 0.240 54 L C 0.037 177.075 176.870 0.281 0.000 1.163 54 L CA -0.300 54.570 54.840 0.050 0.000 0.962 54 L CB -0.339 41.694 42.059 -0.042 0.000 1.258 54 L HN 0.503 nan 8.230 nan 0.000 0.513 55 N N 1.577 120.374 118.700 0.162 0.000 2.492 55 N HA 0.444 5.184 4.740 -0.000 0.000 0.262 55 N C 0.657 176.291 175.510 0.205 0.000 1.202 55 N CA 0.898 54.041 53.050 0.155 0.000 0.926 55 N CB 1.478 39.995 38.487 0.050 0.000 1.078 55 N HN 0.334 nan 8.380 nan 0.000 0.454 56 G N 1.290 110.240 108.800 0.250 0.000 2.384 56 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.150 56 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.150 56 G C -1.500 173.618 174.900 0.365 0.000 1.269 56 G CA -0.755 44.488 45.100 0.238 0.000 1.094 56 G HN 0.466 nan 8.290 nan 0.000 0.467 57 E N -0.174 120.225 120.200 0.331 0.000 2.283 57 E HA 0.534 4.884 4.350 -0.000 0.000 0.278 57 E C -1.140 175.767 176.600 0.511 0.000 1.027 57 E CA -0.190 56.422 56.400 0.354 0.000 0.843 57 E CB 1.287 31.103 29.700 0.194 0.000 1.062 57 E HN 0.384 nan 8.360 nan 0.000 0.401 58 W N 1.044 122.431 121.300 0.146 0.000 3.032 58 W HA 0.417 5.077 4.660 -0.000 0.000 0.341 58 W C -0.168 176.464 176.519 0.189 0.000 1.202 58 W CA -0.787 56.670 57.345 0.187 0.000 1.132 58 W CB 0.995 30.617 29.460 0.271 0.000 1.465 58 W HN 0.221 nan 8.180 nan 0.000 0.576 59 R N 1.384 122.135 120.500 0.417 0.000 2.407 59 R HA 0.625 4.965 4.340 -0.000 0.000 0.303 59 R C -1.389 175.092 176.300 0.302 0.000 0.981 59 R CA -0.778 55.500 56.100 0.296 0.000 0.905 59 R CB 1.575 31.997 30.300 0.204 0.000 1.099 59 R HN 0.385 nan 8.270 nan 0.000 0.459 60 F N 1.016 120.973 119.950 0.012 0.000 2.576 60 F HA 0.697 5.224 4.527 -0.000 0.000 0.313 60 F C -1.529 174.113 175.800 -0.263 0.000 1.078 60 F CA -0.614 57.257 58.000 -0.216 0.000 0.921 60 F CB 2.131 40.908 39.000 -0.371 0.000 1.232 60 F HN 0.597 nan 8.300 nan 0.000 0.459 61 A N 4.271 126.147 122.820 -1.573 0.000 2.512 61 A HA 0.437 4.757 4.320 -0.000 0.000 0.294 61 A C -2.370 174.489 177.584 -1.209 0.000 1.054 61 A CA -0.478 50.946 52.037 -1.021 0.000 0.756 61 A CB 0.119 18.823 19.000 -0.492 0.000 1.293 61 A HN 0.962 nan 8.150 nan 0.000 0.395 62 W N 2.889 123.534 121.300 -1.091 0.000 2.381 62 W HA 0.758 5.418 4.660 -0.000 0.000 0.329 62 W C -1.510 174.601 176.519 -0.679 0.000 1.157 62 W CA 0.089 56.948 57.345 -0.810 0.000 1.240 62 W CB 0.861 30.043 29.460 -0.463 0.000 1.199 62 W HN 0.511 nan 8.180 nan 0.000 0.579 63 F N 4.630 123.871 119.950 -1.181 0.000 2.626 63 F HA 0.331 4.858 4.527 -0.000 0.000 0.311 63 F C -1.462 173.501 175.800 -1.394 0.000 1.088 63 F CA -2.279 55.190 58.000 -0.884 0.000 0.949 63 F CB 1.405 40.062 39.000 -0.572 0.000 1.322 63 F HN 0.155 nan 8.300 nan 0.000 0.461 64 P HA 0.136 nan 4.420 nan 0.000 0.229 64 P C -0.420 176.753 177.300 -0.213 0.000 1.160 64 P CA 0.904 63.812 63.100 -0.320 0.000 0.777 64 P CB 0.570 32.304 31.700 0.057 0.000 0.814 65 A N -0.920 121.769 122.820 -0.217 0.000 2.599 65 A HA 0.503 4.823 4.320 -0.000 0.000 0.294 65 A C -2.392 175.034 177.584 -0.263 0.000 1.055 65 A CA -0.995 50.931 52.037 -0.186 0.000 0.683 65 A CB 0.479 19.431 19.000 -0.079 0.000 1.278 65 A HN -0.290 nan 8.150 nan 0.000 0.412 66 P HA -0.195 nan 4.420 nan 0.000 0.214 66 P C 0.918 178.060 177.300 -0.263 0.000 1.163 66 P CA 1.923 64.825 63.100 -0.330 0.000 0.883 66 P CB -0.101 31.367 31.700 -0.388 0.000 0.788 67 E N 0.201 120.310 120.200 -0.152 0.000 2.401 67 E HA -0.159 4.191 4.350 -0.000 0.000 0.204 67 E C 1.263 177.795 176.600 -0.113 0.000 1.036 67 E CA 1.392 57.742 56.400 -0.082 0.000 0.856 67 E CB -0.890 28.801 29.700 -0.014 0.000 0.770 67 E HN 0.292 nan 8.360 nan 0.000 0.527 68 A N 1.178 123.888 122.820 -0.183 0.000 2.630 68 A HA 0.340 4.660 4.320 -0.000 0.000 0.290 68 A C 0.391 177.734 177.584 -0.400 0.000 1.267 68 A CA -0.447 51.497 52.037 -0.154 0.000 0.950 68 A CB 0.416 19.419 19.000 0.006 0.000 1.144 68 A HN 0.014 nan 8.150 nan 0.000 0.527 69 V N 2.073 121.646 119.914 -0.568 0.000 2.567 69 V HA 0.324 4.444 4.120 -0.000 0.000 0.289 69 V C -2.216 173.673 176.094 -0.340 0.000 1.049 69 V CA -1.600 60.200 62.300 -0.833 0.000 0.969 69 V CB 1.300 32.573 31.823 -0.916 0.000 0.995 69 V HN 0.395 nan 8.190 nan 0.000 0.471 70 P HA 0.296 nan 4.420 nan 0.000 0.286 70 P C 0.348 177.640 177.300 -0.012 0.000 1.269 70 P CA -0.377 62.694 63.100 -0.048 0.000 0.787 70 P CB 1.427 33.146 31.700 0.031 0.000 0.920 71 E N 2.126 122.305 120.200 -0.035 0.000 2.187 71 E HA -0.211 4.139 4.350 -0.000 0.000 0.199 71 E C 1.497 178.062 176.600 -0.059 0.000 1.004 71 E CA 2.014 58.381 56.400 -0.055 0.000 0.813 71 E CB -0.438 29.235 29.700 -0.045 0.000 0.736 71 E HN 0.416 nan 8.360 nan 0.000 0.468 72 S N -0.459 115.233 115.700 -0.014 0.000 2.440 72 S HA -0.203 4.267 4.470 -0.000 0.000 0.238 72 S C 1.437 176.027 174.600 -0.017 0.000 1.010 72 S CA 0.965 59.158 58.200 -0.011 0.000 0.972 72 S CB -0.637 62.577 63.200 0.023 0.000 0.774 72 S HN 0.547 nan 8.310 nan 0.000 0.501 73 W N 2.732 123.938 121.300 -0.158 0.000 2.342 73 W HA -0.052 4.608 4.660 -0.000 0.000 0.297 73 W C 1.498 177.887 176.519 -0.215 0.000 1.213 73 W CA 0.807 58.044 57.345 -0.180 0.000 1.251 73 W CB -0.584 28.741 29.460 -0.225 0.000 1.136 73 W HN 0.263 nan 8.180 nan 0.000 0.526 74 L N 0.310 121.142 121.223 -0.652 0.000 2.131 74 L HA -0.173 4.167 4.340 -0.000 0.000 0.210 74 L C 2.459 179.038 176.870 -0.484 0.000 1.092 74 L CA 1.427 55.781 54.840 -0.809 0.000 0.759 74 L CB -0.750 40.873 42.059 -0.726 0.000 0.903 74 L HN -0.047 nan 8.230 nan 0.000 0.435 75 E N -1.246 118.774 120.200 -0.301 0.000 2.175 75 E HA 0.111 4.461 4.350 -0.000 0.000 0.195 75 E C 0.315 176.835 176.600 -0.132 0.000 0.934 75 E CA 0.372 56.668 56.400 -0.173 0.000 0.870 75 E CB 0.183 29.822 29.700 -0.101 0.000 0.838 75 E HN 0.302 nan 8.360 nan 0.000 0.474 76 C N 2.372 121.612 119.300 -0.099 0.000 2.417 76 C HA 0.333 4.793 4.460 -0.000 0.000 0.324 76 C C -0.032 174.973 174.990 0.026 0.000 1.240 76 C CA -1.160 57.838 59.018 -0.033 0.000 1.632 76 C CB 1.109 28.843 27.740 -0.010 0.000 2.241 76 C HN 0.198 nan 8.230 nan 0.000 0.499 77 D N 3.020 123.448 120.400 0.046 0.000 2.358 77 D HA 0.169 4.809 4.640 -0.000 0.000 0.258 77 D C 0.163 176.534 176.300 0.117 0.000 1.223 77 D CA 0.382 54.450 54.000 0.113 0.000 0.886 77 D CB 0.644 41.498 40.800 0.090 0.000 1.120 77 D HN 0.421 nan 8.370 nan 0.000 0.482 78 L N 5.392 126.715 121.223 0.166 0.000 2.499 78 L HA -0.005 4.335 4.340 -0.000 0.000 0.281 78 L C -0.831 176.084 176.870 0.075 0.000 1.234 78 L CA -1.046 53.863 54.840 0.116 0.000 0.839 78 L CB 0.076 42.202 42.059 0.113 0.000 1.104 78 L HN 0.321 nan 8.230 nan 0.000 0.500 79 P HA -0.105 nan 4.420 nan 0.000 0.217 79 P C 0.646 177.963 177.300 0.029 0.000 1.154 79 P CA 1.011 64.134 63.100 0.038 0.000 0.841 79 P CB 0.058 31.776 31.700 0.030 0.000 0.790 80 E N 0.034 120.244 120.200 0.017 0.000 2.482 80 E HA 0.253 4.603 4.350 -0.000 0.000 0.200 80 E C 0.449 177.038 176.600 -0.018 0.000 1.147 80 E CA -0.209 56.185 56.400 -0.011 0.000 0.912 80 E CB -0.432 29.240 29.700 -0.047 0.000 0.938 80 E HN 0.156 nan 8.360 nan 0.000 0.519 81 A N 1.639 124.468 122.820 0.015 0.000 2.312 81 A HA 0.282 4.602 4.320 -0.000 0.000 0.326 81 A C -0.646 176.985 177.584 0.078 0.000 1.172 81 A CA -0.893 51.156 52.037 0.019 0.000 0.821 81 A CB 0.819 19.840 19.000 0.035 0.000 1.166 81 A HN 0.008 nan 8.150 nan 0.000 0.493 82 D N 1.591 122.072 120.400 0.134 0.000 2.210 82 D HA 0.359 4.999 4.640 -0.000 0.000 0.249 82 D C -0.069 176.351 176.300 0.200 0.000 1.062 82 D CA 0.243 54.355 54.000 0.185 0.000 0.891 82 D CB 1.350 42.324 40.800 0.290 0.000 1.186 82 D HN 0.412 nan 8.370 nan 0.000 0.432 83 T N 0.969 115.617 114.554 0.157 0.000 2.913 83 T HA 0.417 4.767 4.350 -0.000 0.000 0.297 83 T C 0.202 175.003 174.700 0.169 0.000 1.029 83 T CA -0.240 61.960 62.100 0.167 0.000 1.104 83 T CB 0.882 69.823 68.868 0.122 0.000 0.964 83 T HN 0.075 nan 8.240 nan 0.000 0.532 84 V N 2.411 122.449 119.914 0.208 0.000 3.178 84 V HA 0.370 4.490 4.120 -0.000 0.000 0.302 84 V C -0.416 175.800 176.094 0.203 0.000 1.262 84 V CA -0.924 61.478 62.300 0.170 0.000 1.030 84 V CB 2.507 34.441 31.823 0.185 0.000 1.074 84 V HN 0.642 nan 8.190 nan 0.000 0.438 85 V N 2.715 122.719 119.914 0.149 0.000 2.567 85 V HA 0.639 4.759 4.120 -0.000 0.000 0.289 85 V C -0.472 175.673 176.094 0.085 0.000 1.049 85 V CA -0.008 62.370 62.300 0.129 0.000 0.969 85 V CB 1.850 33.720 31.823 0.077 0.000 0.995 85 V HN 0.607 nan 8.190 nan 0.000 0.471 86 V N 6.819 126.721 119.914 -0.021 0.000 2.760 86 V HA 0.480 4.600 4.120 -0.000 0.000 0.309 86 V C -2.408 173.604 176.094 -0.136 0.000 1.077 86 V CA -1.503 60.678 62.300 -0.198 0.000 0.910 86 V CB 2.554 33.951 31.823 -0.710 0.000 1.008 86 V HN 0.787 nan 8.190 nan 0.000 0.424 87 P HA 0.476 nan 4.420 nan 0.000 0.276 87 P C -0.856 176.409 177.300 -0.057 0.000 1.244 87 P CA -0.161 62.855 63.100 -0.141 0.000 0.801 87 P CB 1.553 33.188 31.700 -0.109 0.000 1.006 88 S N 0.110 115.795 115.700 -0.025 0.000 2.580 88 S HA 0.325 4.795 4.470 -0.000 0.000 0.281 88 S C -1.401 173.175 174.600 -0.041 0.000 1.129 88 S CA -0.959 57.233 58.200 -0.013 0.000 0.862 88 S CB 0.119 63.348 63.200 0.049 0.000 1.090 88 S HN 0.345 nan 8.310 nan 0.000 0.451 89 N N 1.429 120.049 118.700 -0.133 0.000 2.479 89 N HA 0.452 5.192 4.740 -0.000 0.000 0.285 89 N C 0.808 176.145 175.510 -0.287 0.000 1.075 89 N CA -0.428 52.506 53.050 -0.192 0.000 0.967 89 N CB 0.562 38.908 38.487 -0.235 0.000 1.137 89 N HN 0.846 nan 8.380 nan 0.000 0.472 90 W N 2.573 123.725 121.300 -0.247 0.000 2.388 90 W HA -0.067 4.593 4.660 -0.000 0.000 0.294 90 W C 1.230 177.658 176.519 -0.152 0.000 1.212 90 W CA 0.885 58.053 57.345 -0.295 0.000 1.271 90 W CB -0.501 28.818 29.460 -0.235 0.000 1.126 90 W HN 0.525 nan 8.180 nan 0.000 0.535 91 Q N 0.523 120.335 119.800 0.019 0.000 2.096 91 Q HA -0.162 4.178 4.340 -0.000 0.000 0.204 91 Q C 2.068 178.054 176.000 -0.023 0.000 0.982 91 Q CA 2.217 58.032 55.803 0.021 0.000 0.850 91 Q CB -0.654 27.990 28.738 -0.156 0.000 0.901 91 Q HN 0.205 nan 8.270 nan 0.000 0.422 92 M N -0.066 119.464 119.600 -0.116 0.000 2.776 92 M HA -0.066 4.414 4.480 -0.000 0.000 0.233 92 M C 0.055 176.489 176.300 0.224 0.000 1.078 92 M CA 1.341 56.628 55.300 -0.021 0.000 1.058 92 M CB -0.892 31.684 32.600 -0.039 0.000 1.611 92 M HN 0.352 nan 8.290 nan 0.000 0.541 93 H N -1.705 117.402 119.070 0.062 0.000 2.885 93 H HA 0.330 4.886 4.556 -0.000 0.000 0.254 93 H C 1.235 176.468 175.328 -0.159 0.000 1.185 93 H CA -0.068 55.986 56.048 0.011 0.000 1.029 93 H CB 0.673 30.513 29.762 0.130 0.000 1.743 93 H HN 0.489 nan 8.280 nan 0.000 0.632 94 G N 0.934 109.750 108.800 0.026 0.000 2.155 94 G HA2 -0.406 3.554 3.960 -0.000 0.000 0.257 94 G HA3 -0.406 3.554 3.960 -0.000 0.000 0.257 94 G C 0.421 175.185 174.900 -0.227 0.000 0.983 94 G CA 0.705 45.747 45.100 -0.097 0.000 0.676 94 G HN 0.493 nan 8.290 nan 0.000 0.528 95 Y N 1.443 121.704 120.300 -0.064 0.000 2.293 95 Y HA 0.223 4.773 4.550 -0.000 0.000 0.291 95 Y C 1.686 177.256 175.900 -0.551 0.000 1.137 95 Y CA 1.645 59.539 58.100 -0.345 0.000 1.202 95 Y CB 0.204 38.481 38.460 -0.305 0.000 0.990 95 Y HN 0.665 nan 8.280 nan 0.000 0.537 96 D N -2.142 118.290 120.400 0.055 0.000 2.665 96 D HA 0.475 5.115 4.640 -0.000 0.000 0.287 96 D C -1.126 175.267 176.300 0.154 0.000 1.266 96 D CA -0.818 53.238 54.000 0.094 0.000 0.830 96 D CB 0.715 41.705 40.800 0.316 0.000 1.356 96 D HN -0.046 nan 8.370 nan 0.000 0.437 97 A N -0.115 122.805 122.820 0.167 0.000 2.340 97 A HA 0.682 5.002 4.320 -0.000 0.000 0.268 97 A C -2.354 175.272 177.584 0.071 0.000 1.100 97 A CA -0.961 51.158 52.037 0.137 0.000 0.803 97 A CB -0.071 19.055 19.000 0.209 0.000 1.043 97 A HN 0.513 nan 8.150 nan 0.000 0.488 98 P HA 0.638 nan 4.420 nan 0.000 0.282 98 P C -0.883 176.543 177.300 0.210 0.000 1.259 98 P CA -0.216 62.829 63.100 -0.092 0.000 0.826 98 P CB 0.949 32.346 31.700 -0.506 0.000 1.064 99 I N 0.732 121.534 120.570 0.385 0.000 2.892 99 I HA 0.428 4.598 4.170 -0.000 0.000 0.306 99 I C -0.929 175.411 176.117 0.373 0.000 1.078 99 I CA -0.850 60.682 61.300 0.387 0.000 1.032 99 I CB 2.122 40.274 38.000 0.253 0.000 1.229 99 I HN 0.254 nan 8.210 nan 0.000 0.435 100 Y N 3.126 123.407 120.300 -0.033 0.000 2.400 100 Y HA 0.542 5.092 4.550 -0.000 0.000 0.335 100 Y C -1.061 174.691 175.900 -0.247 0.000 1.066 100 Y CA -0.390 57.460 58.100 -0.418 0.000 1.285 100 Y CB 1.089 38.811 38.460 -1.231 0.000 1.103 100 Y HN 0.641 nan 8.280 nan 0.000 0.490 101 T N 3.251 117.227 114.554 -0.962 0.000 2.926 101 T HA 0.332 4.682 4.350 -0.000 0.000 0.289 101 T C 0.246 174.343 174.700 -1.005 0.000 1.054 101 T CA -0.895 60.733 62.100 -0.786 0.000 1.015 101 T CB 2.288 70.916 68.868 -0.399 0.000 1.167 101 T HN 0.692 nan 8.240 nan 0.000 0.526 102 N N -0.409 117.872 118.700 -0.697 0.000 2.660 102 N HA 0.021 4.761 4.740 -0.000 0.000 0.231 102 N C 1.209 176.404 175.510 -0.524 0.000 1.022 102 N CA 0.276 52.982 53.050 -0.574 0.000 1.178 102 N CB 0.252 38.443 38.487 -0.493 0.000 1.536 102 N HN 0.255 nan 8.380 nan 0.000 0.582 103 V N 1.058 120.619 119.914 -0.588 0.000 2.825 103 V HA 0.092 4.212 4.120 -0.000 0.000 0.246 103 V C 0.472 176.250 176.094 -0.527 0.000 1.068 103 V CA 0.819 62.705 62.300 -0.691 0.000 1.088 103 V CB 0.131 31.473 31.823 -0.802 0.000 0.733 103 V HN 0.342 nan 8.190 nan 0.000 0.468 104 T N 1.080 115.389 114.554 -0.408 0.000 2.799 104 T HA 0.214 4.564 4.350 -0.000 0.000 0.296 104 T C -0.455 174.091 174.700 -0.256 0.000 0.947 104 T CA 0.125 62.057 62.100 -0.280 0.000 1.141 104 T CB -0.135 68.612 68.868 -0.202 0.000 0.891 104 T HN 0.169 nan 8.240 nan 0.000 0.533 105 Y N 5.292 125.476 120.300 -0.193 0.000 2.526 105 Y HA 0.135 4.685 4.550 -0.000 0.000 0.330 105 Y C -0.899 174.844 175.900 -0.261 0.000 1.156 105 Y CA -1.857 56.106 58.100 -0.229 0.000 1.419 105 Y CB 0.425 38.736 38.460 -0.250 0.000 1.250 105 Y HN 0.550 nan 8.280 nan 0.000 0.540 106 P HA -0.137 nan 4.420 nan 0.000 0.223 106 P C 0.055 177.142 177.300 -0.355 0.000 1.144 106 P CA 1.476 64.437 63.100 -0.231 0.000 0.783 106 P CB 0.184 31.711 31.700 -0.289 0.000 0.771 107 I N -5.443 114.873 120.570 -0.423 0.000 3.108 107 I HA 0.425 4.595 4.170 -0.000 0.000 0.312 107 I C -0.832 175.132 176.117 -0.254 0.000 1.095 107 I CA -1.141 59.900 61.300 -0.432 0.000 1.000 107 I CB 1.786 39.354 38.000 -0.719 0.000 1.229 107 I HN -0.456 nan 8.210 nan 0.000 0.454 108 T N 2.594 117.048 114.554 -0.166 0.000 2.867 108 T HA 0.125 4.475 4.350 -0.000 0.000 0.297 108 T C 0.268 174.927 174.700 -0.068 0.000 0.989 108 T CA -0.196 61.858 62.100 -0.078 0.000 1.159 108 T CB 0.392 69.248 68.868 -0.020 0.000 0.928 108 T HN 0.369 nan 8.240 nan 0.000 0.538 109 V N 4.908 124.798 119.914 -0.041 0.000 2.390 109 V HA 0.145 4.265 4.120 -0.000 0.000 0.260 109 V C 0.666 176.838 176.094 0.131 0.000 1.043 109 V CA 0.134 62.444 62.300 0.016 0.000 1.047 109 V CB -0.291 31.532 31.823 0.000 0.000 1.066 109 V HN 0.847 nan 8.190 nan 0.000 0.481 110 N N 6.567 125.433 118.700 0.277 0.000 2.700 110 N HA 0.282 5.022 4.740 -0.000 0.000 0.242 110 N C -2.959 172.732 175.510 0.302 0.000 1.541 110 N CA -1.345 51.861 53.050 0.261 0.000 0.764 110 N CB 1.556 40.191 38.487 0.247 0.000 1.319 110 N HN 0.239 nan 8.380 nan 0.000 0.518 111 P HA 0.188 nan 4.420 nan 0.000 0.265 111 P C -2.207 174.961 177.300 -0.221 0.000 1.193 111 P CA -0.739 62.084 63.100 -0.461 0.000 0.765 111 P CB 0.510 31.787 31.700 -0.705 0.000 0.823 112 P HA 0.182 nan 4.420 nan 0.000 0.263 112 P C -0.297 176.808 177.300 -0.325 0.000 1.448 112 P CA -0.319 62.525 63.100 -0.426 0.000 0.983 112 P CB 0.010 31.445 31.700 -0.442 0.000 1.481 113 F N -0.077 119.948 119.950 0.124 0.000 2.490 113 F HA 0.181 4.708 4.527 -0.000 0.000 0.336 113 F C 1.394 177.379 175.800 0.308 0.000 1.178 113 F CA 0.052 58.167 58.000 0.191 0.000 1.301 113 F CB 0.128 39.202 39.000 0.124 0.000 1.175 113 F HN -0.232 nan 8.300 nan 0.000 0.593 114 V N 1.509 121.716 119.914 0.489 0.000 3.164 114 V HA 0.548 4.668 4.120 -0.000 0.000 0.313 114 V C -2.195 174.082 176.094 0.305 0.000 1.188 114 V CA -1.874 60.650 62.300 0.374 0.000 1.058 114 V CB 2.512 34.620 31.823 0.475 0.000 1.110 114 V HN 0.559 nan 8.190 nan 0.000 0.453 115 P HA 0.292 nan 4.420 nan 0.000 0.286 115 P C 0.498 177.934 177.300 0.226 0.000 1.261 115 P CA -0.194 63.024 63.100 0.196 0.000 0.821 115 P CB 0.919 32.708 31.700 0.149 0.000 1.013 116 T N -2.043 112.616 114.554 0.175 0.000 2.929 116 T HA -0.116 4.234 4.350 -0.000 0.000 0.271 116 T C 0.279 175.061 174.700 0.136 0.000 1.085 116 T CA 1.029 63.223 62.100 0.157 0.000 1.125 116 T CB -0.590 68.349 68.868 0.119 0.000 0.874 116 T HN 0.333 nan 8.240 nan 0.000 0.494 117 E N 2.126 122.419 120.200 0.156 0.000 2.113 117 E HA 0.579 4.929 4.350 -0.000 0.000 0.273 117 E C -0.725 176.000 176.600 0.208 0.000 0.924 117 E CA -0.550 55.940 56.400 0.150 0.000 0.764 117 E CB 0.954 30.756 29.700 0.170 0.000 1.104 117 E HN 0.209 nan 8.360 nan 0.000 0.406 118 N N 3.712 122.483 118.700 0.118 0.000 2.594 118 N HA 0.260 5.000 4.740 -0.000 0.000 0.280 118 N C -2.899 172.567 175.510 -0.072 0.000 1.156 118 N CA -2.322 50.798 53.050 0.116 0.000 0.831 118 N CB 1.368 39.900 38.487 0.075 0.000 1.379 118 N HN 0.076 nan 8.380 nan 0.000 0.536 119 P HA -0.013 nan 4.420 nan 0.000 0.257 119 P C -0.651 176.516 177.300 -0.222 0.000 1.162 119 P CA 0.630 63.621 63.100 -0.182 0.000 0.762 119 P CB 0.286 32.201 31.700 0.358 0.000 0.753 120 T N 2.635 116.828 114.554 -0.602 0.000 2.856 120 T HA 0.613 4.963 4.350 -0.000 0.000 0.283 120 T C 0.346 174.580 174.700 -0.776 0.000 1.008 120 T CA -0.530 61.295 62.100 -0.458 0.000 0.997 120 T CB 1.721 70.326 68.868 -0.437 0.000 0.992 120 T HN 0.334 nan 8.240 nan 0.000 0.454 121 G N 1.099 109.583 108.800 -0.525 0.000 2.866 121 G HA2 0.442 4.402 3.960 -0.000 0.000 0.318 121 G HA3 0.442 4.402 3.960 -0.000 0.000 0.318 121 G C -0.114 174.559 174.900 -0.377 0.000 1.336 121 G CA -0.384 44.301 45.100 -0.692 0.000 1.067 121 G HN 0.896 nan 8.290 nan 0.000 0.515 122 C N 3.031 121.848 119.300 -0.804 0.000 2.520 122 C HA 0.320 4.780 4.460 -0.000 0.000 0.369 122 C C -0.112 174.682 174.990 -0.326 0.000 1.244 122 C CA -0.760 57.815 59.018 -0.739 0.000 1.677 122 C CB -2.057 24.746 27.740 -1.561 0.000 2.324 122 C HN 0.579 nan 8.230 nan 0.000 0.557 123 Y N 2.096 122.548 120.300 0.252 0.000 2.352 123 Y HA 0.558 5.108 4.550 -0.000 0.000 0.326 123 Y C 0.745 177.065 175.900 0.701 0.000 1.166 123 Y CA -0.082 58.340 58.100 0.536 0.000 1.182 123 Y CB 1.270 40.076 38.460 0.576 0.000 1.216 123 Y HN 0.653 nan 8.280 nan 0.000 0.474 124 S N 3.089 119.257 115.700 0.779 0.000 2.535 124 S HA 0.759 5.229 4.470 -0.000 0.000 0.272 124 S C -2.031 172.657 174.600 0.148 0.000 1.149 124 S CA -0.684 57.791 58.200 0.459 0.000 0.888 124 S CB 1.543 64.993 63.200 0.417 0.000 1.110 124 S HN 0.662 nan 8.310 nan 0.000 0.463 125 L N 1.546 122.702 121.223 -0.113 0.000 2.415 125 L HA 0.875 5.215 4.340 -0.000 0.000 0.256 125 L C -1.005 175.813 176.870 -0.087 0.000 1.010 125 L CA 0.118 54.715 54.840 -0.405 0.000 0.826 125 L CB 2.356 43.656 42.059 -1.266 0.000 1.405 125 L HN 0.908 nan 8.230 nan 0.000 0.410 126 T N 3.112 117.646 114.554 -0.033 0.000 2.881 126 T HA 0.820 5.170 4.350 -0.000 0.000 0.290 126 T C -1.391 173.430 174.700 0.202 0.000 1.000 126 T CA -0.124 62.024 62.100 0.081 0.000 0.978 126 T CB 0.893 69.757 68.868 -0.007 0.000 0.997 126 T HN 0.476 nan 8.240 nan 0.000 0.443 127 F N 0.689 120.563 119.950 -0.127 0.000 2.745 127 F HA 0.730 5.257 4.527 -0.000 0.000 0.316 127 F C -1.219 174.528 175.800 -0.088 0.000 1.155 127 F CA -1.710 56.221 58.000 -0.115 0.000 0.937 127 F CB 0.737 39.658 39.000 -0.132 0.000 1.361 127 F HN 0.265 nan 8.300 nan 0.000 0.472 128 N N 0.052 118.735 118.700 -0.029 0.000 2.400 128 N HA 0.698 5.438 4.740 -0.000 0.000 0.288 128 N C -1.549 173.916 175.510 -0.075 0.000 1.024 128 N CA -0.509 52.469 53.050 -0.121 0.000 0.894 128 N CB 2.029 40.472 38.487 -0.073 0.000 1.173 128 N HN 0.610 nan 8.380 nan 0.000 0.487 129 V N 0.852 120.678 119.914 -0.147 0.000 2.540 129 V HA 0.345 4.465 4.120 -0.000 0.000 0.302 129 V C -0.065 175.954 176.094 -0.125 0.000 1.035 129 V CA -1.085 61.152 62.300 -0.105 0.000 0.873 129 V CB 1.737 33.556 31.823 -0.007 0.000 0.992 129 V HN 0.584 nan 8.190 nan 0.000 0.428 130 D N 2.685 122.951 120.400 -0.224 0.000 2.382 130 D HA 0.085 4.725 4.640 -0.000 0.000 0.245 130 D C 1.107 177.399 176.300 -0.014 0.000 1.120 130 D CA 0.094 53.988 54.000 -0.176 0.000 0.890 130 D CB 1.544 42.129 40.800 -0.359 0.000 1.201 130 D HN 0.737 nan 8.370 nan 0.000 0.433 131 E N 1.567 121.763 120.200 -0.007 0.000 2.031 131 E HA -0.218 4.132 4.350 -0.000 0.000 0.193 131 E C 1.930 178.575 176.600 0.074 0.000 0.994 131 E CA 1.389 57.808 56.400 0.032 0.000 0.800 131 E CB -0.267 29.442 29.700 0.015 0.000 0.752 131 E HN 0.588 nan 8.360 nan 0.000 0.447 132 S N 1.060 116.802 115.700 0.070 0.000 2.407 132 S HA -0.273 4.197 4.470 -0.000 0.000 0.244 132 S C 1.699 176.392 174.600 0.155 0.000 1.077 132 S CA 1.714 59.980 58.200 0.109 0.000 1.159 132 S CB -0.808 62.472 63.200 0.133 0.000 1.045 132 S HN 0.456 nan 8.310 nan 0.000 0.438 133 W N 1.535 122.726 121.300 -0.183 0.000 2.389 133 W HA 0.139 4.799 4.660 -0.000 0.000 0.267 133 W C 2.094 178.591 176.519 -0.037 0.000 1.219 133 W CA 0.480 57.638 57.345 -0.313 0.000 1.189 133 W CB -0.639 28.654 29.460 -0.278 0.000 1.129 133 W HN 0.370 nan 8.180 nan 0.000 0.581 134 L N -1.156 120.186 121.223 0.198 0.000 2.477 134 L HA -0.017 4.323 4.340 -0.000 0.000 0.220 134 L C 2.021 178.958 176.870 0.110 0.000 1.106 134 L CA 0.588 55.517 54.840 0.149 0.000 0.851 134 L CB -0.371 41.752 42.059 0.106 0.000 0.994 134 L HN -0.057 nan 8.230 nan 0.000 0.462 135 Q N -0.010 119.851 119.800 0.102 0.000 2.204 135 Q HA 0.040 4.380 4.340 -0.000 0.000 0.198 135 Q C 0.051 176.099 176.000 0.081 0.000 0.946 135 Q CA 0.716 56.565 55.803 0.077 0.000 0.859 135 Q CB 0.497 29.273 28.738 0.063 0.000 0.946 135 Q HN 0.503 nan 8.270 nan 0.000 0.474 136 E N -1.139 119.131 120.200 0.115 0.000 2.431 136 E HA 0.555 4.905 4.350 -0.000 0.000 0.268 136 E C 0.046 176.725 176.600 0.132 0.000 0.953 136 E CA -0.687 55.775 56.400 0.103 0.000 0.810 136 E CB 1.124 30.880 29.700 0.092 0.000 1.369 136 E HN 0.145 nan 8.360 nan 0.000 0.440 137 G N 0.783 109.580 108.800 -0.004 0.000 2.622 137 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.272 137 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.272 137 G C -0.444 174.326 174.900 -0.216 0.000 1.308 137 G CA 0.406 45.376 45.100 -0.216 0.000 0.919 137 G HN 0.552 nan 8.290 nan 0.000 0.565 138 Q N -0.661 118.889 119.800 -0.416 0.000 2.375 138 Q HA 0.616 4.956 4.340 -0.000 0.000 0.271 138 Q C -1.154 174.689 176.000 -0.262 0.000 1.074 138 Q CA -0.418 55.249 55.803 -0.227 0.000 0.808 138 Q CB 1.748 30.398 28.738 -0.146 0.000 1.327 138 Q HN 0.630 nan 8.270 nan 0.000 0.441 139 T N 4.655 119.202 114.554 -0.011 0.000 2.809 139 T HA 0.455 4.805 4.350 -0.000 0.000 0.296 139 T C -0.429 174.355 174.700 0.141 0.000 1.015 139 T CA -0.682 61.474 62.100 0.094 0.000 0.954 139 T CB 0.565 69.598 68.868 0.275 0.000 0.950 139 T HN 0.602 nan 8.240 nan 0.000 0.450 140 R N 3.110 123.677 120.500 0.112 0.000 2.787 140 R HA 0.747 5.087 4.340 -0.000 0.000 0.271 140 R C -1.136 175.260 176.300 0.160 0.000 0.993 140 R CA -0.971 55.219 56.100 0.151 0.000 0.993 140 R CB 1.500 31.877 30.300 0.128 0.000 1.155 140 R HN 0.557 nan 8.270 nan 0.000 0.486 141 I N 2.819 123.496 120.570 0.180 0.000 2.377 141 I HA 0.379 4.549 4.170 -0.000 0.000 0.293 141 I C -1.075 175.118 176.117 0.127 0.000 0.987 141 I CA -1.251 60.111 61.300 0.104 0.000 1.185 141 I CB 1.264 39.303 38.000 0.066 0.000 1.341 141 I HN 0.611 nan 8.210 nan 0.000 0.455 142 I N 7.661 128.221 120.570 -0.018 0.000 2.411 142 I HA 0.257 4.427 4.170 -0.000 0.000 0.284 142 I C -1.117 174.946 176.117 -0.090 0.000 1.012 142 I CA -0.299 61.016 61.300 0.026 0.000 1.119 142 I CB 1.309 39.322 38.000 0.022 0.000 1.261 142 I HN 0.385 nan 8.210 nan 0.000 0.448 143 F N 5.040 125.001 119.950 0.019 0.000 2.309 143 F HA 0.237 4.764 4.527 -0.000 0.000 0.366 143 F C 1.493 177.198 175.800 -0.159 0.000 1.104 143 F CA -0.360 57.583 58.000 -0.096 0.000 1.179 143 F CB 0.411 39.335 39.000 -0.126 0.000 1.437 143 F HN 0.514 nan 8.300 nan 0.000 0.528 144 D N 2.289 122.651 120.400 -0.063 0.000 2.190 144 D HA -0.090 4.550 4.640 -0.000 0.000 0.200 144 D C 1.062 177.207 176.300 -0.258 0.000 0.992 144 D CA 1.149 55.054 54.000 -0.159 0.000 0.854 144 D CB 0.339 41.003 40.800 -0.226 0.000 0.936 144 D HN 0.605 nan 8.370 nan 0.000 0.462 145 G N -0.576 107.972 108.800 -0.421 0.000 2.761 145 G HA2 0.440 4.400 3.960 -0.000 0.000 0.296 145 G HA3 0.440 4.400 3.960 -0.000 0.000 0.296 145 G C -1.550 172.887 174.900 -0.772 0.000 1.416 145 G CA -0.377 44.253 45.100 -0.784 0.000 1.105 145 G HN -0.027 nan 8.290 nan 0.000 0.565 146 V N 2.887 122.558 119.914 -0.405 0.000 2.577 146 V HA 0.401 4.521 4.120 -0.000 0.000 0.294 146 V C -0.960 175.190 176.094 0.094 0.000 1.052 146 V CA -1.159 61.004 62.300 -0.228 0.000 0.891 146 V CB 1.762 33.267 31.823 -0.530 0.000 1.017 146 V HN 0.717 nan 8.190 nan 0.000 0.436 147 N N 2.431 121.269 118.700 0.230 0.000 2.425 147 N HA 0.343 5.083 4.740 -0.000 0.000 0.268 147 N C 0.704 176.200 175.510 -0.024 0.000 0.991 147 N CA 0.390 53.514 53.050 0.123 0.000 0.931 147 N CB 2.158 40.660 38.487 0.025 0.000 1.130 147 N HN 0.702 nan 8.380 nan 0.000 0.493 148 S N 1.770 117.485 115.700 0.026 0.000 2.604 148 S HA 0.494 4.964 4.470 -0.000 0.000 0.235 148 S C 0.218 174.906 174.600 0.146 0.000 1.043 148 S CA -0.183 58.078 58.200 0.101 0.000 0.997 148 S CB 0.423 63.691 63.200 0.113 0.000 0.956 148 S HN 0.573 nan 8.310 nan 0.000 0.535 149 A N 1.107 124.034 122.820 0.179 0.000 2.539 149 A HA 0.828 5.148 4.320 -0.000 0.000 0.296 149 A C -1.193 176.568 177.584 0.294 0.000 1.073 149 A CA -0.901 51.239 52.037 0.172 0.000 0.700 149 A CB 1.196 20.356 19.000 0.267 0.000 1.296 149 A HN 1.133 nan 8.150 nan 0.000 0.405 150 F N -0.189 119.738 119.950 -0.039 0.000 2.688 150 F HA 0.688 5.215 4.527 -0.000 0.000 0.308 150 F C -1.353 174.539 175.800 0.153 0.000 1.117 150 F CA -0.743 57.298 58.000 0.069 0.000 0.976 150 F CB 1.013 39.987 39.000 -0.043 0.000 1.291 150 F HN 0.607 nan 8.300 nan 0.000 0.439 151 H N 2.478 121.780 119.070 0.387 0.000 2.499 151 H HA 0.755 5.311 4.556 -0.000 0.000 0.340 151 H C -1.414 174.080 175.328 0.276 0.000 1.148 151 H CA -0.644 55.590 56.048 0.309 0.000 1.215 151 H CB 2.388 32.385 29.762 0.391 0.000 1.529 151 H HN 0.761 nan 8.280 nan 0.000 0.510 152 L N 2.935 124.174 121.223 0.026 0.000 2.381 152 L HA 0.419 4.759 4.340 -0.000 0.000 0.268 152 L C -1.554 175.144 176.870 -0.287 0.000 0.997 152 L CA -0.629 54.200 54.840 -0.018 0.000 0.818 152 L CB 1.540 43.403 42.059 -0.328 0.000 1.310 152 L HN 0.556 nan 8.230 nan 0.000 0.416 153 W N 3.721 124.989 121.300 -0.054 0.000 2.962 153 W HA 0.633 5.293 4.660 -0.000 0.000 0.341 153 W C -1.214 175.211 176.519 -0.156 0.000 1.155 153 W CA -0.735 56.536 57.345 -0.124 0.000 1.165 153 W CB 2.165 31.576 29.460 -0.081 0.000 1.435 153 W HN 0.564 nan 8.180 nan 0.000 0.546 154 C N 3.784 123.112 119.300 0.046 0.000 2.516 154 C HA 0.253 4.713 4.460 -0.000 0.000 0.338 154 C C 0.425 175.476 174.990 0.103 0.000 1.132 154 C CA -0.362 58.666 59.018 0.015 0.000 1.310 154 C CB -0.217 27.450 27.740 -0.123 0.000 1.898 154 C HN 0.850 nan 8.230 nan 0.000 0.452 155 N N 2.931 121.676 118.700 0.075 0.000 2.678 155 N HA -0.206 4.534 4.740 -0.000 0.000 0.250 155 N C 0.906 176.461 175.510 0.074 0.000 1.136 155 N CA 2.405 55.490 53.050 0.058 0.000 0.757 155 N CB -1.254 37.277 38.487 0.074 0.000 1.135 155 N HN 1.809 nan 8.380 nan 0.000 0.565 156 G N -1.421 107.433 108.800 0.089 0.000 2.231 156 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.206 156 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.206 156 G C -0.037 175.040 174.900 0.296 0.000 0.996 156 G CA 0.103 45.259 45.100 0.093 0.000 0.645 156 G HN 0.466 nan 8.290 nan 0.000 0.498 157 R N -0.640 120.062 120.500 0.338 0.000 2.393 157 R HA 0.484 4.824 4.340 -0.000 0.000 0.310 157 R C -0.191 176.256 176.300 0.246 0.000 0.968 157 R CA -0.889 55.447 56.100 0.393 0.000 0.867 157 R CB 1.260 31.825 30.300 0.442 0.000 1.124 157 R HN 0.204 nan 8.270 nan 0.000 0.450 158 W N 3.551 124.829 121.300 -0.037 0.000 2.223 158 W HA 0.047 4.707 4.660 -0.000 0.000 0.334 158 W C -0.071 176.217 176.519 -0.385 0.000 1.334 158 W CA 0.271 57.212 57.345 -0.674 0.000 1.246 158 W CB 0.599 29.684 29.460 -0.624 0.000 1.184 158 W HN 0.346 nan 8.180 nan 0.000 0.563 159 V N 4.927 123.833 119.914 -1.681 0.000 3.137 159 V HA 0.520 4.640 4.120 -0.000 0.000 0.236 159 V C 0.884 176.093 176.094 -1.475 0.000 1.260 159 V CA 0.805 62.287 62.300 -1.363 0.000 1.244 159 V CB 0.044 31.195 31.823 -1.120 0.000 1.016 159 V HN 0.801 nan 8.190 nan 0.000 0.477 160 G N -1.425 106.417 108.800 -1.596 0.000 2.548 160 G HA2 0.533 4.493 3.960 -0.000 0.000 0.301 160 G HA3 0.533 4.493 3.960 -0.000 0.000 0.301 160 G C -2.494 172.277 174.900 -0.215 0.000 1.349 160 G CA -0.339 44.317 45.100 -0.739 0.000 0.792 160 G HN -0.013 nan 8.290 nan 0.000 0.481 161 Y N -0.702 119.568 120.300 -0.049 0.000 2.552 161 Y HA 0.693 5.243 4.550 -0.000 0.000 0.337 161 Y C -0.099 175.663 175.900 -0.230 0.000 1.094 161 Y CA -0.123 57.826 58.100 -0.252 0.000 1.028 161 Y CB 1.854 40.285 38.460 -0.048 0.000 1.321 161 Y HN 1.209 nan 8.280 nan 0.000 0.456 162 G N 3.105 111.064 108.800 -1.401 0.000 2.725 162 G HA2 0.694 4.654 3.960 -0.000 0.000 0.288 162 G HA3 0.694 4.654 3.960 -0.000 0.000 0.288 162 G C -1.970 172.391 174.900 -0.898 0.000 1.399 162 G CA -0.922 43.616 45.100 -0.936 0.000 0.859 162 G HN 0.636 nan 8.290 nan 0.000 0.479 163 Q N -0.848 118.723 119.800 -0.382 0.000 2.648 163 Q HA 0.488 4.828 4.340 -0.000 0.000 0.300 163 Q C -1.848 174.132 176.000 -0.033 0.000 0.954 163 Q CA -0.859 54.850 55.803 -0.157 0.000 0.757 163 Q CB 2.880 31.563 28.738 -0.092 0.000 1.482 163 Q HN 0.695 nan 8.270 nan 0.000 0.437 164 D N -0.037 120.390 120.400 0.044 0.000 4.280 164 D HA -0.094 4.546 4.640 -0.000 0.000 0.225 164 D C -0.260 176.095 176.300 0.092 0.000 1.273 164 D CA 0.827 54.871 54.000 0.072 0.000 0.948 164 D CB -0.478 40.347 40.800 0.043 0.000 0.545 164 D HN 0.569 nan 8.370 nan 0.000 0.247 165 S N 3.431 119.210 115.700 0.130 0.000 2.383 165 S HA -0.161 4.309 4.470 -0.000 0.000 0.229 165 S C 1.577 176.300 174.600 0.206 0.000 1.030 165 S CA 0.880 59.194 58.200 0.190 0.000 1.002 165 S CB 0.112 63.432 63.200 0.201 0.000 0.829 165 S HN 0.506 nan 8.310 nan 0.000 0.467 166 R N 0.527 121.121 120.500 0.156 0.000 2.334 166 R HA 0.425 4.765 4.340 -0.000 0.000 0.220 166 R C -0.256 176.100 176.300 0.094 0.000 0.917 166 R CA -0.003 56.183 56.100 0.143 0.000 1.073 166 R CB -0.741 29.665 30.300 0.176 0.000 1.056 166 R HN 0.369 nan 8.270 nan 0.000 0.506 167 L N 1.679 122.931 121.223 0.048 0.000 2.401 167 L HA 0.441 4.781 4.340 -0.000 0.000 0.266 167 L C -2.295 174.562 176.870 -0.021 0.000 0.991 167 L CA -2.428 52.420 54.840 0.013 0.000 0.818 167 L CB 2.781 44.845 42.059 0.008 0.000 1.321 167 L HN -0.167 nan 8.230 nan 0.000 0.413 168 P HA -0.010 nan 4.420 nan 0.000 0.263 168 P C -0.808 176.480 177.300 -0.020 0.000 1.175 168 P CA 0.110 63.184 63.100 -0.044 0.000 0.761 168 P CB 0.680 32.321 31.700 -0.097 0.000 0.794 169 S N 2.007 117.755 115.700 0.080 0.000 2.596 169 S HA 0.267 4.737 4.470 -0.000 0.000 0.318 169 S C -0.176 174.490 174.600 0.111 0.000 1.097 169 S CA -0.679 57.562 58.200 0.068 0.000 1.080 169 S CB 0.784 64.147 63.200 0.273 0.000 0.991 169 S HN 0.388 nan 8.310 nan 0.000 0.471 170 E N 2.342 122.449 120.200 -0.155 0.000 2.249 170 E HA 0.722 5.072 4.350 -0.000 0.000 0.263 170 E C -1.275 175.082 176.600 -0.405 0.000 0.950 170 E CA -0.795 55.581 56.400 -0.039 0.000 0.827 170 E CB 1.447 31.179 29.700 0.054 0.000 1.220 170 E HN 0.389 nan 8.360 nan 0.000 0.411 171 F N -0.230 119.798 119.950 0.129 0.000 2.654 171 F HA 0.177 4.704 4.527 -0.000 0.000 0.308 171 F C -0.432 175.420 175.800 0.086 0.000 1.108 171 F CA -1.095 56.953 58.000 0.080 0.000 0.957 171 F CB 1.807 40.840 39.000 0.055 0.000 1.309 171 F HN 0.301 nan 8.300 nan 0.000 0.446 172 D N 2.615 123.181 120.400 0.276 0.000 2.325 172 D HA 0.242 4.882 4.640 -0.000 0.000 0.251 172 D C 0.359 176.838 176.300 0.298 0.000 1.196 172 D CA 0.274 54.409 54.000 0.226 0.000 0.866 172 D CB 1.212 42.113 40.800 0.168 0.000 1.101 172 D HN 0.550 nan 8.370 nan 0.000 0.476 173 L N 2.602 123.993 121.223 0.281 0.000 2.463 173 L HA -0.068 4.272 4.340 -0.000 0.000 0.219 173 L C 2.279 179.407 176.870 0.430 0.000 1.088 173 L CA -0.005 55.045 54.840 0.350 0.000 0.849 173 L CB -0.127 42.090 42.059 0.262 0.000 1.012 173 L HN 0.362 nan 8.230 nan 0.000 0.468 174 S N 1.235 117.098 115.700 0.271 0.000 2.457 174 S HA -0.369 4.101 4.470 -0.000 0.000 0.269 174 S C 1.868 176.543 174.600 0.125 0.000 1.139 174 S CA 2.159 60.466 58.200 0.178 0.000 1.176 174 S CB -0.369 62.894 63.200 0.106 0.000 1.088 174 S HN 0.582 nan 8.310 nan 0.000 0.443 175 A N -0.842 122.006 122.820 0.047 0.000 2.235 175 A HA 0.282 4.602 4.320 -0.000 0.000 0.208 175 A C 1.287 178.646 177.584 -0.374 0.000 1.172 175 A CA 0.620 52.529 52.037 -0.213 0.000 0.786 175 A CB -0.424 18.314 19.000 -0.437 0.000 0.804 175 A HN 0.520 nan 8.150 nan 0.000 0.479 176 F N -1.125 118.855 119.950 0.050 0.000 2.740 176 F HA 0.348 4.875 4.527 -0.000 0.000 0.304 176 F C 0.947 176.771 175.800 0.039 0.000 1.098 176 F CA -0.695 57.331 58.000 0.043 0.000 1.258 176 F CB -0.309 38.719 39.000 0.046 0.000 1.061 176 F HN -0.049 nan 8.300 nan 0.000 0.598 177 L N 1.214 122.596 121.223 0.264 0.000 2.428 177 L HA 0.120 4.460 4.340 -0.000 0.000 0.266 177 L C 0.340 177.253 176.870 0.071 0.000 1.269 177 L CA 0.485 55.417 54.840 0.154 0.000 0.821 177 L CB 0.184 42.348 42.059 0.175 0.000 1.095 177 L HN 0.110 nan 8.230 nan 0.000 0.559 178 R N -0.595 119.914 120.500 0.013 0.000 2.643 178 R HA 0.496 4.836 4.340 -0.000 0.000 0.269 178 R C -1.147 175.133 176.300 -0.033 0.000 1.037 178 R CA -0.841 55.251 56.100 -0.014 0.000 0.894 178 R CB 1.849 32.120 30.300 -0.047 0.000 1.238 178 R HN 0.686 nan 8.270 nan 0.000 0.459 179 A N 1.145 123.952 122.820 -0.021 0.000 2.445 179 A HA 0.599 4.919 4.320 -0.000 0.000 0.242 179 A C 0.912 178.456 177.584 -0.066 0.000 1.075 179 A CA 1.101 53.119 52.037 -0.031 0.000 0.777 179 A CB 0.000 18.991 19.000 -0.016 0.000 1.013 179 A HN 0.983 nan 8.150 nan 0.000 0.493 180 G N 0.459 109.207 108.800 -0.086 0.000 2.496 180 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.243 180 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.243 180 G C 0.068 174.865 174.900 -0.172 0.000 1.176 180 G CA 0.241 45.277 45.100 -0.107 0.000 0.940 180 G HN 1.131 nan 8.290 nan 0.000 0.573 181 E N 1.752 121.852 120.200 -0.166 0.000 2.223 181 E HA 0.372 4.722 4.350 -0.000 0.000 0.282 181 E C -0.037 176.393 176.600 -0.283 0.000 1.046 181 E CA -0.294 55.976 56.400 -0.218 0.000 0.857 181 E CB -0.074 29.544 29.700 -0.136 0.000 1.055 181 E HN 0.481 nan 8.360 nan 0.000 0.409 182 N N 3.789 122.184 118.700 -0.507 0.000 2.469 182 N HA 0.431 5.171 4.740 -0.000 0.000 0.286 182 N C -0.908 174.360 175.510 -0.403 0.000 1.275 182 N CA -0.799 51.947 53.050 -0.507 0.000 0.790 182 N CB 2.148 40.245 38.487 -0.650 0.000 1.446 182 N HN 0.352 nan 8.380 nan 0.000 0.501 183 R N 1.525 121.932 120.500 -0.156 0.000 2.510 183 R HA 0.337 4.677 4.340 -0.000 0.000 0.294 183 R C -1.651 174.697 176.300 0.080 0.000 1.056 183 R CA -0.474 55.629 56.100 0.004 0.000 0.918 183 R CB 0.803 31.077 30.300 -0.044 0.000 1.187 183 R HN 0.473 nan 8.270 nan 0.000 0.437 184 L N 2.766 124.100 121.223 0.185 0.000 2.399 184 L HA 0.641 4.981 4.340 -0.000 0.000 0.266 184 L C 0.178 177.125 176.870 0.127 0.000 1.114 184 L CA -0.464 54.479 54.840 0.171 0.000 0.804 184 L CB 1.722 43.917 42.059 0.228 0.000 1.146 184 L HN 0.702 nan 8.230 nan 0.000 0.451 185 A N 2.537 125.433 122.820 0.126 0.000 2.360 185 A HA 0.693 5.013 4.320 -0.000 0.000 0.309 185 A C -0.870 177.000 177.584 0.476 0.000 1.311 185 A CA -0.497 51.535 52.037 -0.007 0.000 0.805 185 A CB 0.639 19.151 19.000 -0.814 0.000 1.144 185 A HN 0.382 nan 8.150 nan 0.000 0.486 186 V N 3.276 123.635 119.914 0.742 0.000 2.370 186 V HA 0.480 4.600 4.120 -0.000 0.000 0.283 186 V C 0.193 176.791 176.094 0.839 0.000 1.023 186 V CA -0.327 62.419 62.300 0.744 0.000 0.857 186 V CB 1.246 33.376 31.823 0.513 0.000 0.985 186 V HN 0.940 nan 8.190 nan 0.000 0.443 187 M N 6.570 126.666 119.600 0.825 0.000 2.103 187 M HA 0.533 5.013 4.480 -0.000 0.000 0.350 187 M C -1.247 175.333 176.300 0.466 0.000 1.100 187 M CA -0.311 55.338 55.300 0.582 0.000 1.042 187 M CB 0.970 33.930 32.600 0.600 0.000 1.368 187 M HN 0.434 nan 8.290 nan 0.000 0.404 188 V N 5.984 126.140 119.914 0.405 0.000 2.530 188 V HA 0.337 4.457 4.120 -0.000 0.000 0.282 188 V C 0.383 176.667 176.094 0.317 0.000 1.048 188 V CA -0.534 61.996 62.300 0.384 0.000 0.997 188 V CB 0.794 32.877 31.823 0.435 0.000 0.987 188 V HN 0.793 nan 8.190 nan 0.000 0.477 189 L N 4.088 125.443 121.223 0.220 0.000 2.352 189 L HA 0.597 4.937 4.340 -0.000 0.000 0.269 189 L C 1.295 178.185 176.870 0.033 0.000 1.034 189 L CA -0.740 54.154 54.840 0.089 0.000 0.806 189 L CB 1.512 43.540 42.059 -0.053 0.000 1.244 189 L HN 0.603 nan 8.230 nan 0.000 0.447 190 R N 0.823 121.245 120.500 -0.129 0.000 2.052 190 R HA 0.061 4.401 4.340 -0.000 0.000 0.224 190 R C -0.193 175.776 176.300 -0.551 0.000 1.149 190 R CA 0.811 56.584 56.100 -0.544 0.000 0.962 190 R CB 0.169 29.947 30.300 -0.869 0.000 0.856 190 R HN 0.577 nan 8.270 nan 0.000 0.433 191 W N 0.434 121.798 121.300 0.107 0.000 2.436 191 W HA 0.389 5.049 4.660 -0.000 0.000 0.347 191 W C 0.106 176.744 176.519 0.199 0.000 1.136 191 W CA -0.558 56.860 57.345 0.122 0.000 1.286 191 W CB 1.237 30.762 29.460 0.107 0.000 1.253 191 W HN 0.113 nan 8.180 nan 0.000 0.617 192 S N -1.218 114.791 115.700 0.516 0.000 2.656 192 S HA 0.085 4.555 4.470 -0.000 0.000 0.265 192 S C -0.035 174.839 174.600 0.458 0.000 1.110 192 S CA -0.318 58.179 58.200 0.494 0.000 0.821 192 S CB 0.551 64.022 63.200 0.452 0.000 1.099 192 S HN 0.636 nan 8.310 nan 0.000 0.471 193 D N 1.166 121.815 120.400 0.415 0.000 2.149 193 D HA 0.028 4.668 4.640 -0.000 0.000 0.198 193 D C 2.022 178.614 176.300 0.486 0.000 0.990 193 D CA 1.542 55.804 54.000 0.437 0.000 0.839 193 D CB -0.942 39.969 40.800 0.187 0.000 0.948 193 D HN 0.802 nan 8.370 nan 0.000 0.460 194 G N 0.279 109.294 108.800 0.359 0.000 2.505 194 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.220 194 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.220 194 G C 1.792 176.885 174.900 0.320 0.000 1.145 194 G CA 1.264 46.546 45.100 0.303 0.000 0.761 194 G HN 0.346 nan 8.290 nan 0.000 0.571 195 S N 0.202 116.102 115.700 0.332 0.000 2.374 195 S HA -0.151 4.319 4.470 -0.000 0.000 0.227 195 S C 1.973 176.720 174.600 0.245 0.000 1.037 195 S CA 1.331 59.699 58.200 0.280 0.000 1.024 195 S CB -0.468 62.898 63.200 0.277 0.000 0.861 195 S HN 0.528 nan 8.310 nan 0.000 0.456 196 Y N 0.980 121.367 120.300 0.145 0.000 2.651 196 Y HA 0.090 4.640 4.550 -0.000 0.000 0.296 196 Y C 1.459 177.446 175.900 0.144 0.000 1.150 196 Y CA 0.444 58.573 58.100 0.049 0.000 1.348 196 Y CB -0.411 37.923 38.460 -0.211 0.000 0.983 196 Y HN 0.208 nan 8.280 nan 0.000 0.555 197 L N 0.033 121.438 121.223 0.304 0.000 2.857 197 L HA 0.169 4.509 4.340 -0.000 0.000 0.249 197 L C 0.097 177.093 176.870 0.209 0.000 1.172 197 L CA 0.275 55.244 54.840 0.214 0.000 0.980 197 L CB 0.193 42.369 42.059 0.195 0.000 1.299 197 L HN 0.202 nan 8.230 nan 0.000 0.535 198 E N -0.571 119.770 120.200 0.236 0.000 3.846 198 E HA 0.072 4.422 4.350 -0.000 0.000 0.216 198 E C -0.568 176.131 176.600 0.166 0.000 1.092 198 E CA -0.085 56.438 56.400 0.205 0.000 1.370 198 E CB 0.504 30.323 29.700 0.200 0.000 1.227 198 E HN -0.002 nan 8.360 nan 0.000 0.442 199 D N 1.434 121.892 120.400 0.097 0.000 2.538 199 D HA 0.020 4.660 4.640 -0.000 0.000 0.234 199 D C -0.228 176.044 176.300 -0.047 0.000 1.191 199 D CA -0.067 53.883 54.000 -0.082 0.000 0.828 199 D CB 0.130 40.686 40.800 -0.407 0.000 0.981 199 D HN 0.062 nan 8.370 nan 0.000 0.490 200 Q N 0.453 120.312 119.800 0.098 0.000 2.364 200 Q HA 0.114 4.454 4.340 -0.000 0.000 0.267 200 Q C -0.260 175.821 176.000 0.135 0.000 0.999 200 Q CA 0.088 56.010 55.803 0.199 0.000 0.886 200 Q CB 0.700 29.704 28.738 0.444 0.000 1.243 200 Q HN 0.095 nan 8.270 nan 0.000 0.415 201 D N 3.401 123.884 120.400 0.139 0.000 2.385 201 D HA 0.181 4.821 4.640 -0.000 0.000 0.260 201 D C -0.533 175.844 176.300 0.128 0.000 1.326 201 D CA 0.150 54.171 54.000 0.035 0.000 1.023 201 D CB -0.161 40.664 40.800 0.042 0.000 1.083 201 D HN 0.477 nan 8.370 nan 0.000 0.517 202 M N 1.429 121.060 119.600 0.051 0.000 3.196 202 M HA 0.276 4.756 4.480 -0.000 0.000 0.279 202 M C -1.588 174.797 176.300 0.141 0.000 1.173 202 M CA -0.969 54.385 55.300 0.089 0.000 0.820 202 M CB 0.660 33.300 32.600 0.066 0.000 1.621 202 M HN 0.058 nan 8.290 nan 0.000 0.521 203 W N 2.462 123.866 121.300 0.173 0.000 2.251 203 W HA 0.355 5.015 4.660 -0.000 0.000 0.327 203 W C 0.463 177.004 176.519 0.037 0.000 1.361 203 W CA -0.176 57.254 57.345 0.140 0.000 1.234 203 W CB 0.470 29.967 29.460 0.063 0.000 1.212 203 W HN 0.291 nan 8.180 nan 0.000 0.557 204 R N 5.449 126.124 120.500 0.292 0.000 2.419 204 R HA 0.272 4.611 4.340 -0.000 0.000 0.305 204 R C -0.043 176.300 176.300 0.072 0.000 1.242 204 R CA 0.027 56.233 56.100 0.177 0.000 1.105 204 R CB -0.276 30.168 30.300 0.240 0.000 1.116 204 R HN 0.554 nan 8.270 nan 0.000 0.523 205 M N 0.308 119.864 119.600 -0.074 0.000 2.623 205 M HA 0.430 4.910 4.480 -0.000 0.000 0.251 205 M C 0.420 176.457 176.300 -0.437 0.000 1.009 205 M CA -0.625 54.518 55.300 -0.261 0.000 1.155 205 M CB 1.551 33.982 32.600 -0.281 0.000 1.428 205 M HN 0.603 nan 8.290 nan 0.000 0.640 206 S N -1.501 113.828 115.700 -0.618 0.000 2.656 206 S HA 0.764 5.234 4.470 -0.000 0.000 0.265 206 S C -0.608 173.563 174.600 -0.714 0.000 1.110 206 S CA -0.243 57.503 58.200 -0.757 0.000 0.821 206 S CB 0.934 63.479 63.200 -1.091 0.000 1.099 206 S HN 1.617 nan 8.310 nan 0.000 0.471 207 G N 0.234 108.767 108.800 -0.445 0.000 2.466 207 G HA2 0.063 4.023 3.960 -0.000 0.000 0.316 207 G HA3 0.063 4.023 3.960 -0.000 0.000 0.316 207 G C -0.886 174.009 174.900 -0.009 0.000 1.270 207 G CA -0.498 44.629 45.100 0.045 0.000 0.982 207 G HN 1.449 nan 8.290 nan 0.000 0.506 208 I N 2.199 122.629 120.570 -0.233 0.000 2.227 208 I HA 0.229 4.399 4.170 -0.000 0.000 0.297 208 I C 1.422 177.445 176.117 -0.157 0.000 1.173 208 I CA -0.207 60.879 61.300 -0.355 0.000 1.356 208 I CB -0.345 37.216 38.000 -0.731 0.000 1.485 208 I HN 0.475 nan 8.210 nan 0.000 0.604 209 F N 3.070 122.899 119.950 -0.203 0.000 2.780 209 F HA 0.319 4.846 4.527 -0.000 0.000 0.299 209 F C 0.771 176.508 175.800 -0.104 0.000 1.146 209 F CA -0.585 57.328 58.000 -0.145 0.000 1.428 209 F CB -0.441 38.483 39.000 -0.127 0.000 1.115 209 F HN 0.118 nan 8.300 nan 0.000 0.583 210 R N 0.684 120.868 120.500 -0.527 0.000 2.892 210 R HA 0.273 4.613 4.340 -0.000 0.000 0.265 210 R C -0.877 175.268 176.300 -0.259 0.000 1.025 210 R CA -1.217 54.668 56.100 -0.359 0.000 0.982 210 R CB 0.667 30.706 30.300 -0.435 0.000 1.185 210 R HN -0.040 nan 8.270 nan 0.000 0.484 211 D N 0.823 121.109 120.400 -0.190 0.000 2.601 211 D HA 0.027 4.667 4.640 -0.000 0.000 0.229 211 D C -0.259 175.934 176.300 -0.178 0.000 1.140 211 D CA 0.352 54.262 54.000 -0.150 0.000 0.862 211 D CB 0.369 41.108 40.800 -0.103 0.000 1.192 211 D HN 0.012 nan 8.370 nan 0.000 0.480 212 V N 1.533 121.347 119.914 -0.166 0.000 2.513 212 V HA 0.581 4.701 4.120 -0.000 0.000 0.299 212 V C -0.061 175.941 176.094 -0.154 0.000 1.035 212 V CA -0.410 61.748 62.300 -0.236 0.000 0.889 212 V CB 1.572 33.244 31.823 -0.252 0.000 0.988 212 V HN 0.780 nan 8.190 nan 0.000 0.440 213 S N 4.896 120.487 115.700 -0.182 0.000 2.579 213 S HA 0.747 5.217 4.470 -0.000 0.000 0.272 213 S C -1.186 173.384 174.600 -0.049 0.000 1.141 213 S CA -0.874 57.276 58.200 -0.083 0.000 0.843 213 S CB 1.790 64.971 63.200 -0.033 0.000 1.122 213 S HN 0.438 nan 8.310 nan 0.000 0.468 214 L N 1.872 123.118 121.223 0.039 0.000 2.322 214 L HA 0.645 4.985 4.340 -0.000 0.000 0.281 214 L C -1.345 175.670 176.870 0.242 0.000 1.014 214 L CA -0.899 54.042 54.840 0.168 0.000 0.815 214 L CB 1.633 43.856 42.059 0.274 0.000 1.247 214 L HN 0.618 nan 8.230 nan 0.000 0.421 215 L N 2.987 124.320 121.223 0.183 0.000 2.386 215 L HA 0.469 4.809 4.340 -0.000 0.000 0.271 215 L C -0.960 175.854 176.870 -0.094 0.000 0.993 215 L CA -0.291 54.598 54.840 0.082 0.000 0.819 215 L CB 1.693 43.798 42.059 0.076 0.000 1.294 215 L HN 0.435 nan 8.230 nan 0.000 0.414 216 H N 3.930 122.756 119.070 -0.407 0.000 2.551 216 H HA 0.563 5.119 4.556 -0.000 0.000 0.321 216 H C -1.163 173.940 175.328 -0.374 0.000 1.028 216 H CA -0.257 55.375 56.048 -0.694 0.000 1.215 216 H CB 0.841 29.677 29.762 -1.543 0.000 1.414 216 H HN 0.551 nan 8.280 nan 0.000 0.480 217 K N 5.932 125.905 120.400 -0.711 0.000 2.318 217 K HA 0.352 4.672 4.320 -0.000 0.000 0.249 217 K C -2.718 173.570 176.600 -0.521 0.000 0.942 217 K CA -2.292 53.711 56.287 -0.473 0.000 0.808 217 K CB 1.934 34.262 32.500 -0.286 0.000 1.189 217 K HN 0.466 nan 8.250 nan 0.000 0.428 218 P HA -0.016 nan 4.420 nan 0.000 0.270 218 P C 0.370 177.556 177.300 -0.190 0.000 1.223 218 P CA -0.046 62.924 63.100 -0.217 0.000 0.785 218 P CB 0.391 32.018 31.700 -0.123 0.000 0.923 219 T N -1.645 112.828 114.554 -0.135 0.000 2.746 219 T HA -0.070 4.280 4.350 -0.000 0.000 0.267 219 T C 0.834 175.474 174.700 -0.101 0.000 1.039 219 T CA 1.434 63.470 62.100 -0.106 0.000 1.142 219 T CB -0.756 68.071 68.868 -0.069 0.000 0.866 219 T HN 0.355 nan 8.240 nan 0.000 0.444 220 T N 3.280 117.780 114.554 -0.090 0.000 2.753 220 T HA 0.472 4.822 4.350 -0.000 0.000 0.297 220 T C -0.381 174.257 174.700 -0.104 0.000 0.981 220 T CA -0.708 61.333 62.100 -0.098 0.000 0.956 220 T CB 0.519 69.337 68.868 -0.082 0.000 0.936 220 T HN 0.584 nan 8.240 nan 0.000 0.463 221 Q N 2.814 122.539 119.800 -0.124 0.000 2.630 221 Q HA 0.494 4.834 4.340 -0.000 0.000 0.295 221 Q C -1.150 174.766 176.000 -0.141 0.000 0.944 221 Q CA -1.140 54.581 55.803 -0.136 0.000 0.766 221 Q CB 0.998 29.626 28.738 -0.184 0.000 1.471 221 Q HN 0.453 nan 8.270 nan 0.000 0.416 222 I N 2.785 123.250 120.570 -0.174 0.000 2.671 222 I HA -0.066 4.104 4.170 -0.000 0.000 0.285 222 I C 1.006 176.938 176.117 -0.308 0.000 1.148 222 I CA 0.530 61.716 61.300 -0.191 0.000 1.386 222 I CB 0.624 38.452 38.000 -0.286 0.000 1.406 222 I HN 0.860 nan 8.210 nan 0.000 0.540 223 S N 3.186 118.821 115.700 -0.108 0.000 2.524 223 S HA 0.155 4.625 4.470 -0.000 0.000 0.215 223 S C 0.034 174.786 174.600 0.253 0.000 0.986 223 S CA -0.224 57.955 58.200 -0.034 0.000 0.911 223 S CB 0.219 63.416 63.200 -0.005 0.000 0.805 223 S HN 0.775 nan 8.310 nan 0.000 0.501 224 D N -0.478 120.135 120.400 0.355 0.000 2.842 224 D HA 0.412 5.052 4.640 -0.000 0.000 0.248 224 D C -1.624 174.979 176.300 0.505 0.000 1.140 224 D CA -0.587 53.723 54.000 0.517 0.000 0.728 224 D CB 0.665 41.652 40.800 0.312 0.000 1.595 224 D HN 0.228 nan 8.370 nan 0.000 0.450 225 F N -0.243 119.880 119.950 0.289 0.000 2.665 225 F HA 0.640 5.167 4.527 -0.000 0.000 0.308 225 F C -1.412 174.612 175.800 0.374 0.000 1.112 225 F CA -0.760 57.345 58.000 0.175 0.000 0.972 225 F CB 1.011 40.081 39.000 0.117 0.000 1.295 225 F HN 0.334 nan 8.300 nan 0.000 0.440 226 H N 0.842 119.906 119.070 -0.010 0.000 2.731 226 H HA 0.886 5.442 4.556 -0.000 0.000 0.368 226 H C -1.289 174.037 175.328 -0.004 0.000 1.168 226 H CA -1.635 54.353 56.048 -0.100 0.000 1.181 226 H CB 2.823 32.537 29.762 -0.080 0.000 1.743 226 H HN 0.618 nan 8.280 nan 0.000 0.547 227 V N 0.512 120.481 119.914 0.091 0.000 2.914 227 V HA 0.790 4.910 4.120 -0.000 0.000 0.314 227 V C -0.874 175.203 176.094 -0.028 0.000 1.084 227 V CA -0.525 61.792 62.300 0.030 0.000 0.963 227 V CB 1.901 33.725 31.823 0.001 0.000 1.025 227 V HN 0.995 nan 8.190 nan 0.000 0.432 228 A N 1.767 124.546 122.820 -0.068 0.000 2.589 228 A HA 0.853 5.173 4.320 -0.000 0.000 0.296 228 A C -0.620 176.879 177.584 -0.142 0.000 1.062 228 A CA -0.059 51.928 52.037 -0.083 0.000 0.686 228 A CB 2.132 21.108 19.000 -0.040 0.000 1.282 228 A HN 1.112 nan 8.150 nan 0.000 0.404 229 T N -0.253 114.209 114.554 -0.152 0.000 2.886 229 T HA 0.821 5.171 4.350 -0.000 0.000 0.292 229 T C -0.574 173.928 174.700 -0.331 0.000 1.012 229 T CA -0.762 61.171 62.100 -0.279 0.000 0.982 229 T CB 1.249 69.893 68.868 -0.372 0.000 1.018 229 T HN 1.078 nan 8.240 nan 0.000 0.451 230 R N 1.869 122.046 120.500 -0.538 0.000 2.744 230 R HA 0.826 5.166 4.340 -0.000 0.000 0.279 230 R C -1.594 174.306 176.300 -0.666 0.000 0.977 230 R CA -0.986 54.876 56.100 -0.397 0.000 0.906 230 R CB 1.385 31.609 30.300 -0.127 0.000 1.197 230 R HN 0.497 nan 8.270 nan 0.000 0.463 231 F N 0.042 119.944 119.950 -0.079 0.000 2.620 231 F HA 0.376 4.903 4.527 -0.000 0.000 0.320 231 F C 0.134 175.780 175.800 -0.257 0.000 1.069 231 F CA -1.402 56.492 58.000 -0.178 0.000 0.953 231 F CB 0.889 39.684 39.000 -0.342 0.000 1.322 231 F HN 0.554 nan 8.300 nan 0.000 0.479 232 N N 0.091 118.752 118.700 -0.065 0.000 2.294 232 N HA 0.040 4.780 4.740 -0.000 0.000 0.248 232 N C 0.537 175.926 175.510 -0.202 0.000 1.300 232 N CA -0.111 52.880 53.050 -0.097 0.000 0.925 232 N CB 0.060 38.519 38.487 -0.047 0.000 1.188 232 N HN 0.684 nan 8.380 nan 0.000 0.512 233 D N -1.915 118.412 120.400 -0.122 0.000 2.351 233 D HA -0.187 4.453 4.640 -0.000 0.000 0.216 233 D C -0.065 176.189 176.300 -0.077 0.000 0.968 233 D CA 1.026 54.961 54.000 -0.110 0.000 0.899 233 D CB -0.405 40.381 40.800 -0.024 0.000 0.907 233 D HN 0.710 nan 8.370 nan 0.000 0.514 234 D N -1.619 118.758 120.400 -0.038 0.000 2.582 234 D HA 0.002 4.642 4.640 -0.000 0.000 0.246 234 D C 0.148 176.686 176.300 0.397 0.000 1.334 234 D CA -0.878 53.250 54.000 0.214 0.000 0.805 234 D CB -1.118 39.772 40.800 0.149 0.000 1.087 234 D HN 0.079 nan 8.370 nan 0.000 0.499 235 F N 0.635 120.646 119.950 0.102 0.000 3.006 235 F HA -0.304 4.223 4.527 -0.000 0.000 0.289 235 F C 1.728 177.604 175.800 0.128 0.000 0.772 235 F CA 0.810 58.896 58.000 0.144 0.000 1.162 235 F CB -2.669 36.346 39.000 0.025 0.000 1.382 235 F HN 0.124 nan 8.300 nan 0.000 0.406 236 S N -0.692 115.118 115.700 0.183 0.000 2.428 236 S HA 0.040 4.510 4.470 -0.000 0.000 0.230 236 S C 0.752 175.392 174.600 0.066 0.000 1.014 236 S CA 0.647 58.913 58.200 0.112 0.000 0.957 236 S CB 0.135 63.376 63.200 0.069 0.000 0.784 236 S HN 0.462 nan 8.310 nan 0.000 0.499 237 R N 0.565 121.099 120.500 0.056 0.000 2.604 237 R HA 0.796 5.136 4.340 -0.000 0.000 0.281 237 R C -1.269 175.011 176.300 -0.032 0.000 1.020 237 R CA -0.448 55.647 56.100 -0.009 0.000 0.899 237 R CB 1.752 32.033 30.300 -0.033 0.000 1.205 237 R HN 0.183 nan 8.270 nan 0.000 0.450 238 A N 1.633 124.381 122.820 -0.119 0.000 2.430 238 A HA 0.811 5.131 4.320 -0.000 0.000 0.300 238 A C -0.922 176.551 177.584 -0.185 0.000 1.124 238 A CA -0.771 51.126 52.037 -0.234 0.000 0.766 238 A CB 2.038 20.864 19.000 -0.290 0.000 1.328 238 A HN 0.346 nan 8.150 nan 0.000 0.424 239 V N 1.091 120.885 119.914 -0.200 0.000 2.483 239 V HA 0.484 4.604 4.120 -0.000 0.000 0.297 239 V C -0.840 175.201 176.094 -0.088 0.000 1.027 239 V CA -0.352 61.877 62.300 -0.119 0.000 0.855 239 V CB 1.154 32.907 31.823 -0.116 0.000 0.995 239 V HN 0.850 nan 8.190 nan 0.000 0.424 240 L N 3.967 125.178 121.223 -0.021 0.000 2.272 240 L HA 0.639 4.979 4.340 -0.000 0.000 0.289 240 L C -0.124 176.713 176.870 -0.054 0.000 1.032 240 L CA 0.368 55.185 54.840 -0.038 0.000 0.810 240 L CB 1.216 43.282 42.059 0.012 0.000 1.205 240 L HN 0.691 nan 8.230 nan 0.000 0.422 241 E N 4.355 124.517 120.200 -0.064 0.000 2.134 241 E HA 0.637 4.987 4.350 -0.000 0.000 0.278 241 E C -0.943 175.643 176.600 -0.024 0.000 0.959 241 E CA -0.734 55.638 56.400 -0.047 0.000 0.783 241 E CB 1.539 31.212 29.700 -0.047 0.000 1.095 241 E HN 0.816 nan 8.360 nan 0.000 0.399 242 A N 3.995 126.806 122.820 -0.015 0.000 2.304 242 A HA 0.308 4.628 4.320 -0.000 0.000 0.323 242 A C -0.448 177.129 177.584 -0.011 0.000 1.195 242 A CA -0.628 51.422 52.037 0.022 0.000 0.826 242 A CB 0.829 19.844 19.000 0.025 0.000 1.184 242 A HN 0.704 nan 8.150 nan 0.000 0.496 243 E N 2.882 123.068 120.200 -0.022 0.000 2.129 243 E HA 0.552 4.902 4.350 -0.000 0.000 0.268 243 E C -1.434 175.113 176.600 -0.088 0.000 0.900 243 E CA -0.485 55.844 56.400 -0.118 0.000 0.755 243 E CB 1.313 30.863 29.700 -0.251 0.000 1.117 243 E HN 0.361 nan 8.360 nan 0.000 0.410 244 V N 3.907 123.790 119.914 -0.052 0.000 2.732 244 V HA 0.392 4.512 4.120 -0.000 0.000 0.310 244 V C -0.258 175.881 176.094 0.075 0.000 1.053 244 V CA -0.703 61.617 62.300 0.032 0.000 0.957 244 V CB 1.692 33.501 31.823 -0.022 0.000 1.018 244 V HN 0.775 nan 8.190 nan 0.000 0.452 245 Q N 3.118 123.003 119.800 0.142 0.000 2.389 245 Q HA 0.807 5.147 4.340 -0.000 0.000 0.277 245 Q C -1.063 175.022 176.000 0.141 0.000 1.082 245 Q CA -0.875 55.019 55.803 0.152 0.000 0.810 245 Q CB 2.777 31.530 28.738 0.027 0.000 1.374 245 Q HN 0.815 nan 8.270 nan 0.000 0.422 246 M N -0.995 118.615 119.600 0.016 0.000 2.690 246 M HA 0.831 5.311 4.480 -0.000 0.000 0.302 246 M C -1.320 174.891 176.300 -0.149 0.000 1.234 246 M CA -0.492 54.740 55.300 -0.113 0.000 0.853 246 M CB 2.065 34.483 32.600 -0.303 0.000 1.748 246 M HN 0.587 nan 8.290 nan 0.000 0.469 247 C N 0.691 119.906 119.300 -0.142 0.000 2.802 247 C HA 1.008 5.468 4.460 -0.000 0.000 0.307 247 C C 0.598 175.508 174.990 -0.133 0.000 1.222 247 C CA 0.913 59.862 59.018 -0.115 0.000 1.580 247 C CB 1.131 28.824 27.740 -0.079 0.000 2.119 247 C HN 1.422 nan 8.230 nan 0.000 0.479 248 G N 2.840 111.572 108.800 -0.114 0.000 2.384 248 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.200 248 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.200 248 G C -1.018 173.810 174.900 -0.119 0.000 1.205 248 G CA -0.505 44.530 45.100 -0.109 0.000 1.116 248 G HN 0.788 nan 8.290 nan 0.000 0.547 249 E N 0.250 120.379 120.200 -0.117 0.000 2.081 249 E HA 0.558 4.908 4.350 -0.000 0.000 0.276 249 E C 0.234 176.734 176.600 -0.166 0.000 0.950 249 E CA -0.468 55.864 56.400 -0.113 0.000 0.776 249 E CB 1.144 30.805 29.700 -0.065 0.000 1.094 249 E HN 0.472 nan 8.360 nan 0.000 0.402 250 L N 4.458 125.569 121.223 -0.188 0.000 2.453 250 L HA 0.257 4.597 4.340 -0.000 0.000 0.272 250 L C 0.015 176.765 176.870 -0.200 0.000 1.182 250 L CA 0.470 55.167 54.840 -0.239 0.000 0.858 250 L CB 0.227 42.154 42.059 -0.219 0.000 1.120 250 L HN 0.435 nan 8.230 nan 0.000 0.474 251 R N 2.817 123.147 120.500 -0.284 0.000 2.542 251 R HA 0.068 4.408 4.340 -0.000 0.000 0.284 251 R C 0.162 176.221 176.300 -0.401 0.000 1.167 251 R CA -0.532 55.372 56.100 -0.326 0.000 1.000 251 R CB 1.443 31.404 30.300 -0.564 0.000 1.229 251 R HN 0.802 nan 8.270 nan 0.000 0.416 252 D N 2.705 123.009 120.400 -0.161 0.000 2.244 252 D HA -0.278 4.362 4.640 -0.000 0.000 0.197 252 D C 1.153 177.401 176.300 -0.086 0.000 1.006 252 D CA 2.092 56.047 54.000 -0.074 0.000 0.888 252 D CB -0.122 40.687 40.800 0.015 0.000 0.912 252 D HN 0.731 nan 8.370 nan 0.000 0.452 253 Y N 0.423 120.720 120.300 -0.006 0.000 2.561 253 Y HA 0.275 4.825 4.550 -0.000 0.000 0.291 253 Y C 1.326 177.206 175.900 -0.034 0.000 1.141 253 Y CA -0.641 57.449 58.100 -0.016 0.000 1.303 253 Y CB -0.749 37.703 38.460 -0.013 0.000 1.015 253 Y HN -0.164 nan 8.280 nan 0.000 0.547 254 L N 2.598 123.509 121.223 -0.521 0.000 2.525 254 L HA 0.125 4.465 4.340 -0.000 0.000 0.278 254 L C 0.148 176.929 176.870 -0.149 0.000 1.218 254 L CA 0.466 55.142 54.840 -0.273 0.000 0.878 254 L CB 0.213 42.167 42.059 -0.175 0.000 1.127 254 L HN 0.238 nan 8.230 nan 0.000 0.492 255 R N 1.623 121.956 120.500 -0.277 0.000 2.799 255 R HA 0.754 5.094 4.340 -0.000 0.000 0.270 255 R C -1.677 174.376 176.300 -0.412 0.000 1.010 255 R CA -0.638 55.210 56.100 -0.421 0.000 0.916 255 R CB 2.289 32.195 30.300 -0.656 0.000 1.228 255 R HN 0.254 nan 8.270 nan 0.000 0.469 256 V N 1.103 120.848 119.914 -0.280 0.000 2.623 256 V HA 0.587 4.707 4.120 -0.000 0.000 0.304 256 V C -0.878 175.222 176.094 0.009 0.000 1.054 256 V CA -0.561 61.663 62.300 -0.127 0.000 0.882 256 V CB 2.351 33.971 31.823 -0.338 0.000 1.002 256 V HN 0.834 nan 8.190 nan 0.000 0.424 257 T N 3.669 118.305 114.554 0.137 0.000 2.908 257 T HA 0.753 5.103 4.350 -0.000 0.000 0.290 257 T C -0.996 173.694 174.700 -0.016 0.000 1.034 257 T CA -0.590 61.545 62.100 0.060 0.000 1.010 257 T CB 2.205 71.116 68.868 0.073 0.000 1.068 257 T HN 0.347 nan 8.240 nan 0.000 0.481 258 V N 2.658 122.550 119.914 -0.036 0.000 2.623 258 V HA 0.633 4.753 4.120 -0.000 0.000 0.304 258 V C -0.615 175.453 176.094 -0.042 0.000 1.054 258 V CA -0.698 61.578 62.300 -0.041 0.000 0.882 258 V CB 2.132 33.925 31.823 -0.050 0.000 1.002 258 V HN 1.109 nan 8.190 nan 0.000 0.424 259 S N 5.366 121.058 115.700 -0.015 0.000 2.536 259 S HA 0.882 5.352 4.470 -0.000 0.000 0.298 259 S C -1.008 173.586 174.600 -0.011 0.000 1.083 259 S CA -0.799 57.366 58.200 -0.058 0.000 0.995 259 S CB 2.383 65.571 63.200 -0.020 0.000 1.058 259 S HN 0.566 nan 8.310 nan 0.000 0.488 260 L N 2.101 123.225 121.223 -0.164 0.000 2.372 260 L HA 0.676 5.016 4.340 -0.000 0.000 0.273 260 L C -1.894 174.911 176.870 -0.108 0.000 0.989 260 L CA -0.157 54.663 54.840 -0.034 0.000 0.841 260 L CB 0.681 42.713 42.059 -0.045 0.000 1.225 260 L HN 0.868 nan 8.230 nan 0.000 0.414 261 W N 3.169 124.547 121.300 0.130 0.000 2.578 261 W HA 0.641 5.301 4.660 -0.000 0.000 0.353 261 W C -0.415 176.254 176.519 0.250 0.000 1.088 261 W CA -0.446 56.985 57.345 0.144 0.000 1.235 261 W CB 1.304 30.803 29.460 0.064 0.000 1.362 261 W HN 0.431 nan 8.180 nan 0.000 0.592 262 Q N 2.077 122.137 119.800 0.432 0.000 2.695 262 Q HA 0.491 4.831 4.340 -0.000 0.000 0.246 262 Q C 0.344 176.443 176.000 0.166 0.000 0.961 262 Q CA 0.360 56.282 55.803 0.198 0.000 0.708 262 Q CB 0.773 29.542 28.738 0.051 0.000 1.282 262 Q HN 0.812 nan 8.270 nan 0.000 0.482 263 G N 2.975 111.857 108.800 0.137 0.000 2.552 263 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.267 263 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.267 263 G C 0.313 175.295 174.900 0.136 0.000 1.174 263 G CA 0.297 45.453 45.100 0.093 0.000 0.955 263 G HN 0.570 nan 8.290 nan 0.000 0.546 264 E N 0.331 120.625 120.200 0.157 0.000 2.526 264 E HA 0.237 4.587 4.350 -0.000 0.000 0.208 264 E C 0.292 177.173 176.600 0.468 0.000 0.997 264 E CA 0.259 56.765 56.400 0.176 0.000 0.961 264 E CB 0.554 30.297 29.700 0.071 0.000 1.030 264 E HN 0.298 nan 8.360 nan 0.000 0.483 265 T N 1.467 116.256 114.554 0.392 0.000 2.814 265 T HA 0.061 4.411 4.350 -0.000 0.000 0.297 265 T C -0.243 174.580 174.700 0.206 0.000 0.956 265 T CA 0.134 62.404 62.100 0.283 0.000 1.123 265 T CB 0.950 69.904 68.868 0.144 0.000 0.902 265 T HN 0.044 nan 8.240 nan 0.000 0.528 266 Q N 3.095 122.725 119.800 -0.282 0.000 2.288 266 Q HA 0.264 4.604 4.340 -0.000 0.000 0.258 266 Q C 0.436 176.155 176.000 -0.469 0.000 0.957 266 Q CA -0.398 54.757 55.803 -1.080 0.000 0.919 266 Q CB 0.899 28.718 28.738 -1.531 0.000 1.185 266 Q HN 0.547 nan 8.270 nan 0.000 0.408 267 V N 1.882 121.569 119.914 -0.379 0.000 3.263 267 V HA 0.376 4.496 4.120 -0.000 0.000 0.248 267 V C 0.087 176.064 176.094 -0.195 0.000 1.145 267 V CA 0.730 62.923 62.300 -0.178 0.000 1.107 267 V CB 0.496 32.295 31.823 -0.041 0.000 0.797 267 V HN 0.761 nan 8.190 nan 0.000 0.467 268 A N -0.748 121.921 122.820 -0.253 0.000 2.583 268 A HA 0.700 5.020 4.320 -0.000 0.000 0.298 268 A C -0.743 176.712 177.584 -0.215 0.000 1.055 268 A CA 0.206 52.124 52.037 -0.197 0.000 0.714 268 A CB 1.507 20.418 19.000 -0.148 0.000 1.277 268 A HN 0.082 nan 8.150 nan 0.000 0.406 269 S N -0.021 115.577 115.700 -0.170 0.000 2.697 269 S HA 0.951 5.421 4.470 -0.000 0.000 0.289 269 S C -0.356 174.187 174.600 -0.094 0.000 1.149 269 S CA 0.112 58.229 58.200 -0.138 0.000 0.850 269 S CB 1.968 65.083 63.200 -0.141 0.000 1.151 269 S HN 2.457 nan 8.310 nan 0.000 0.491 270 G N 1.289 110.045 108.800 -0.072 0.000 2.715 270 G HA2 0.509 4.469 3.960 -0.000 0.000 0.297 270 G HA3 0.509 4.469 3.960 -0.000 0.000 0.297 270 G C -1.352 173.521 174.900 -0.044 0.000 1.386 270 G CA -0.395 44.670 45.100 -0.059 0.000 1.157 270 G HN 0.683 nan 8.290 nan 0.000 0.585 271 T N 0.545 115.080 114.554 -0.032 0.000 2.855 271 T HA 0.895 5.245 4.350 -0.000 0.000 0.281 271 T C 0.137 174.808 174.700 -0.048 0.000 1.007 271 T CA 0.285 62.377 62.100 -0.013 0.000 1.009 271 T CB 1.731 70.619 68.868 0.034 0.000 0.983 271 T HN 1.591 nan 8.240 nan 0.000 0.455 272 A N 3.795 126.563 122.820 -0.086 0.000 2.564 272 A HA 0.942 5.261 4.320 -0.000 0.000 0.291 272 A C -3.120 174.350 177.584 -0.189 0.000 1.102 272 A CA -1.448 50.516 52.037 -0.122 0.000 0.660 272 A CB 1.289 20.214 19.000 -0.126 0.000 1.283 272 A HN 0.548 nan 8.150 nan 0.000 0.430 273 P HA 0.688 nan 4.420 nan 0.000 0.288 273 P C -0.827 176.355 177.300 -0.196 0.000 1.300 273 P CA -0.605 62.403 63.100 -0.155 0.000 0.910 273 P CB 0.673 32.340 31.700 -0.056 0.000 1.256 274 F N 0.216 120.116 119.950 -0.083 0.000 2.480 274 F HA 0.448 4.975 4.527 -0.000 0.000 0.319 274 F C 1.527 177.302 175.800 -0.041 0.000 1.230 274 F CA 1.813 59.775 58.000 -0.063 0.000 1.285 274 F CB -0.254 38.701 39.000 -0.076 0.000 1.208 274 F HN 0.627 nan 8.300 nan 0.000 0.579 275 G N 0.912 109.860 108.800 0.247 0.000 3.445 275 G HA2 0.361 4.321 3.960 -0.000 0.000 0.686 275 G HA3 0.361 4.321 3.960 -0.000 0.000 0.686 275 G C -0.474 174.475 174.900 0.081 0.000 1.113 275 G CA -0.720 44.461 45.100 0.134 0.000 0.974 275 G HN 1.081 nan 8.290 nan 0.000 0.492 276 G N 0.345 109.206 108.800 0.102 0.000 2.642 276 G HA2 0.737 4.697 3.960 -0.000 0.000 0.291 276 G HA3 0.737 4.697 3.960 -0.000 0.000 0.291 276 G C 0.106 175.037 174.900 0.051 0.000 1.345 276 G CA -0.571 44.574 45.100 0.075 0.000 1.043 276 G HN 0.786 nan 8.290 nan 0.000 0.528 277 E N -0.594 119.632 120.200 0.044 0.000 2.418 277 E HA 0.026 4.376 4.350 -0.000 0.000 0.261 277 E C 0.189 176.803 176.600 0.024 0.000 1.070 277 E CA 0.024 56.440 56.400 0.026 0.000 0.931 277 E CB 0.947 30.660 29.700 0.022 0.000 0.954 277 E HN 0.103 nan 8.360 nan 0.000 0.439 278 I N 3.459 124.033 120.570 0.006 0.000 2.588 278 I HA -0.072 4.098 4.170 -0.000 0.000 0.283 278 I C 1.371 177.487 176.117 -0.001 0.000 1.119 278 I CA 0.815 62.111 61.300 -0.008 0.000 1.419 278 I CB 0.474 38.467 38.000 -0.012 0.000 1.394 278 I HN 0.623 nan 8.210 nan 0.000 0.562 279 I N 1.622 122.184 120.570 -0.013 0.000 4.433 279 I HA 0.260 4.430 4.170 -0.000 0.000 0.322 279 I C -0.392 175.718 176.117 -0.011 0.000 1.284 279 I CA -0.016 61.286 61.300 0.003 0.000 1.269 279 I CB 0.946 38.970 38.000 0.040 0.000 1.219 279 I HN 0.572 nan 8.210 nan 0.000 0.436 280 D N -0.301 120.081 120.400 -0.031 0.000 2.665 280 D HA 0.192 4.832 4.640 -0.000 0.000 0.287 280 D C 0.269 176.548 176.300 -0.036 0.000 1.266 280 D CA -0.498 53.485 54.000 -0.029 0.000 0.830 280 D CB 0.905 41.688 40.800 -0.028 0.000 1.356 280 D HN -0.101 nan 8.370 nan 0.000 0.437 281 E N -0.519 119.664 120.200 -0.029 0.000 2.236 281 E HA -0.240 4.110 4.350 -0.000 0.000 0.205 281 E C 1.358 177.935 176.600 -0.037 0.000 1.028 281 E CA 1.680 58.063 56.400 -0.028 0.000 0.827 281 E CB -0.146 29.541 29.700 -0.023 0.000 0.735 281 E HN 0.333 nan 8.360 nan 0.000 0.470 282 R N -0.525 119.945 120.500 -0.050 0.000 2.317 282 R HA 0.279 4.619 4.340 -0.000 0.000 0.208 282 R C 0.866 177.121 176.300 -0.075 0.000 0.914 282 R CA 0.557 56.621 56.100 -0.060 0.000 1.060 282 R CB 0.895 31.156 30.300 -0.066 0.000 1.015 282 R HN 0.227 nan 8.270 nan 0.000 0.498 283 G N -0.278 108.476 108.800 -0.075 0.000 2.301 283 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.194 283 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.194 283 G C -0.478 174.358 174.900 -0.106 0.000 1.266 283 G CA -0.660 44.392 45.100 -0.080 0.000 1.210 283 G HN 0.393 nan 8.290 nan 0.000 0.524 284 G N -1.911 106.815 108.800 -0.124 0.000 3.086 284 G HA2 0.640 4.600 3.960 -0.000 0.000 0.282 284 G HA3 0.640 4.600 3.960 -0.000 0.000 0.282 284 G C -1.679 173.074 174.900 -0.245 0.000 1.343 284 G CA -0.728 44.291 45.100 -0.135 0.000 0.895 284 G HN 0.747 nan 8.290 nan 0.000 0.557 285 Y N 0.919 121.223 120.300 0.007 0.000 2.425 285 Y HA 0.448 4.998 4.550 -0.000 0.000 0.347 285 Y C 1.351 177.271 175.900 0.033 0.000 0.976 285 Y CA 0.181 58.290 58.100 0.015 0.000 1.190 285 Y CB 1.752 40.225 38.460 0.022 0.000 1.136 285 Y HN 0.540 nan 8.280 nan 0.000 0.517 286 A N 1.792 124.677 122.820 0.109 0.000 2.072 286 A HA -0.094 4.226 4.320 -0.000 0.000 0.216 286 A C 1.339 178.967 177.584 0.075 0.000 1.156 286 A CA 1.182 53.262 52.037 0.072 0.000 0.701 286 A CB -0.172 18.825 19.000 -0.005 0.000 0.816 286 A HN 0.773 nan 8.150 nan 0.000 0.458 287 D N -0.978 119.465 120.400 0.072 0.000 2.388 287 D HA 0.141 4.781 4.640 -0.000 0.000 0.221 287 D C 0.538 176.947 176.300 0.181 0.000 1.133 287 D CA -0.076 53.862 54.000 -0.103 0.000 0.831 287 D CB 0.024 40.748 40.800 -0.126 0.000 0.962 287 D HN 0.328 nan 8.370 nan 0.000 0.502 288 R N -0.741 120.006 120.500 0.411 0.000 2.888 288 R HA 0.753 5.093 4.340 -0.000 0.000 0.264 288 R C -1.577 174.863 176.300 0.233 0.000 1.045 288 R CA -1.231 55.076 56.100 0.345 0.000 0.962 288 R CB 3.031 33.382 30.300 0.085 0.000 1.210 288 R HN -0.026 nan 8.270 nan 0.000 0.479 289 V N 0.364 120.273 119.914 -0.009 0.000 2.882 289 V HA 0.323 4.443 4.120 -0.000 0.000 0.295 289 V C -1.540 174.474 176.094 -0.133 0.000 1.273 289 V CA -0.275 61.939 62.300 -0.143 0.000 0.949 289 V CB 2.427 34.014 31.823 -0.393 0.000 1.071 289 V HN 0.771 nan 8.190 nan 0.000 0.432 290 T N 8.165 122.662 114.554 -0.095 0.000 2.756 290 T HA 0.642 4.992 4.350 -0.000 0.000 0.290 290 T C -0.323 174.328 174.700 -0.081 0.000 0.985 290 T CA -0.099 61.952 62.100 -0.082 0.000 0.955 290 T CB 0.779 69.611 68.868 -0.060 0.000 0.930 290 T HN 0.548 nan 8.240 nan 0.000 0.451 291 L N 3.564 124.739 121.223 -0.079 0.000 2.379 291 L HA 0.614 4.954 4.340 -0.000 0.000 0.269 291 L C 0.792 177.627 176.870 -0.058 0.000 1.084 291 L CA -0.598 54.199 54.840 -0.073 0.000 0.802 291 L CB 0.930 42.942 42.059 -0.078 0.000 1.175 291 L HN 0.370 nan 8.230 nan 0.000 0.448 292 R N 3.117 123.583 120.500 -0.058 0.000 2.576 292 R HA 0.458 4.798 4.340 -0.000 0.000 0.283 292 R C -1.506 174.759 176.300 -0.058 0.000 1.493 292 R CA -0.386 55.681 56.100 -0.056 0.000 1.170 292 R CB 0.801 31.069 30.300 -0.054 0.000 1.189 292 R HN 0.484 nan 8.270 nan 0.000 0.542 293 L N 2.076 123.264 121.223 -0.058 0.000 2.312 293 L HA 0.441 4.781 4.340 -0.000 0.000 0.281 293 L C 0.192 177.019 176.870 -0.071 0.000 1.070 293 L CA -0.942 53.859 54.840 -0.065 0.000 0.805 293 L CB 0.877 42.895 42.059 -0.068 0.000 1.174 293 L HN 0.364 nan 8.230 nan 0.000 0.434 294 N N 2.061 120.711 118.700 -0.083 0.000 2.524 294 N HA 0.435 5.175 4.740 -0.000 0.000 0.283 294 N C -0.817 174.616 175.510 -0.128 0.000 1.142 294 N CA -0.336 52.657 53.050 -0.095 0.000 0.984 294 N CB 2.746 41.183 38.487 -0.083 0.000 1.155 294 N HN 0.261 nan 8.380 nan 0.000 0.467 295 V N 1.477 121.294 119.914 -0.163 0.000 2.488 295 V HA 0.178 4.298 4.120 -0.000 0.000 0.293 295 V C -0.122 175.854 176.094 -0.196 0.000 1.027 295 V CA -0.766 61.387 62.300 -0.244 0.000 0.862 295 V CB 1.862 33.389 31.823 -0.493 0.000 1.008 295 V HN 0.528 nan 8.190 nan 0.000 0.428 296 E N 3.910 124.026 120.200 -0.139 0.000 2.227 296 E HA 0.294 4.644 4.350 -0.000 0.000 0.282 296 E C -0.150 176.410 176.600 -0.067 0.000 1.015 296 E CA -0.355 55.995 56.400 -0.082 0.000 0.823 296 E CB 0.811 30.477 29.700 -0.056 0.000 1.081 296 E HN 0.683 nan 8.360 nan 0.000 0.396 297 N N 2.527 121.211 118.700 -0.027 0.000 2.669 297 N HA -0.127 4.613 4.740 -0.000 0.000 0.266 297 N C -2.402 173.105 175.510 -0.004 0.000 1.024 297 N CA 0.332 53.386 53.050 0.006 0.000 0.766 297 N CB -0.998 37.497 38.487 0.015 0.000 0.898 297 N HN 0.333 nan 8.380 nan 0.000 0.548 298 P HA 0.160 nan 4.420 nan 0.000 0.274 298 P C -0.040 177.323 177.300 0.106 0.000 1.237 298 P CA 0.061 63.099 63.100 -0.105 0.000 0.793 298 P CB 0.931 32.363 31.700 -0.447 0.000 0.977 299 K N 1.542 122.104 120.400 0.271 0.000 2.264 299 K HA 0.351 4.671 4.320 -0.000 0.000 0.277 299 K C 0.069 176.858 176.600 0.315 0.000 1.067 299 K CA -0.472 55.938 56.287 0.205 0.000 0.900 299 K CB 0.259 32.808 32.500 0.081 0.000 1.124 299 K HN 0.385 nan 8.250 nan 0.000 0.469 300 L N 2.212 123.556 121.223 0.202 0.000 2.464 300 L HA 0.233 4.573 4.340 -0.000 0.000 0.264 300 L C 0.027 177.011 176.870 0.190 0.000 1.199 300 L CA -0.415 54.547 54.840 0.203 0.000 0.818 300 L CB 0.281 42.311 42.059 -0.048 0.000 1.102 300 L HN 0.610 nan 8.230 nan 0.000 0.473 301 W N 2.054 123.369 121.300 0.025 0.000 2.551 301 W HA 0.536 5.196 4.660 -0.000 0.000 0.330 301 W C -0.322 176.146 176.519 -0.085 0.000 1.063 301 W CA -0.033 57.315 57.345 0.006 0.000 1.222 301 W CB 1.593 31.105 29.460 0.086 0.000 1.349 301 W HN 0.628 nan 8.180 nan 0.000 0.536 302 S N 2.709 117.921 115.700 -0.813 0.000 2.595 302 S HA 0.544 5.014 4.470 -0.000 0.000 0.270 302 S C -0.016 173.949 174.600 -1.058 0.000 1.145 302 S CA -0.341 57.489 58.200 -0.617 0.000 0.825 302 S CB 0.883 63.901 63.200 -0.302 0.000 1.107 302 S HN 1.112 nan 8.310 nan 0.000 0.461 303 A N 0.927 123.262 122.820 -0.809 0.000 1.972 303 A HA 0.001 4.321 4.320 -0.000 0.000 0.219 303 A C 1.736 179.005 177.584 -0.524 0.000 1.169 303 A CA 1.714 53.226 52.037 -0.875 0.000 0.635 303 A CB -1.154 17.243 19.000 -1.005 0.000 0.810 303 A HN 0.923 nan 8.150 nan 0.000 0.446 304 E N -0.478 119.559 120.200 -0.272 0.000 2.160 304 E HA -0.073 4.277 4.350 -0.000 0.000 0.195 304 E C -0.065 176.410 176.600 -0.208 0.000 0.991 304 E CA 0.902 57.196 56.400 -0.177 0.000 0.810 304 E CB -0.172 29.526 29.700 -0.004 0.000 0.742 304 E HN 0.645 nan 8.360 nan 0.000 0.466 305 I N 0.800 121.206 120.570 -0.274 0.000 2.603 305 I HA 0.166 4.336 4.170 -0.000 0.000 0.276 305 I C -2.737 173.146 176.117 -0.390 0.000 1.133 305 I CA -1.903 59.250 61.300 -0.245 0.000 1.070 305 I CB 1.880 39.797 38.000 -0.138 0.000 1.215 305 I HN -0.250 nan 8.210 nan 0.000 0.487 306 P HA 0.133 nan 4.420 nan 0.000 0.237 306 P C -0.372 176.857 177.300 -0.118 0.000 1.788 306 P CA -0.184 62.575 63.100 -0.568 0.000 1.061 306 P CB -0.206 31.301 31.700 -0.321 0.000 1.967 307 N N 2.268 120.933 118.700 -0.057 0.000 2.452 307 N HA 0.133 4.873 4.740 -0.000 0.000 0.266 307 N C -0.160 175.503 175.510 0.256 0.000 1.209 307 N CA 0.433 53.520 53.050 0.062 0.000 0.929 307 N CB 0.435 38.962 38.487 0.066 0.000 1.063 307 N HN 0.267 nan 8.380 nan 0.000 0.472 308 L N 2.690 123.998 121.223 0.141 0.000 2.341 308 L HA 0.487 4.827 4.340 -0.000 0.000 0.267 308 L C -0.737 176.179 176.870 0.077 0.000 1.009 308 L CA -0.839 54.124 54.840 0.207 0.000 0.819 308 L CB 1.222 43.392 42.059 0.184 0.000 1.323 308 L HN 0.411 nan 8.230 nan 0.000 0.425 309 Y N 0.348 120.772 120.300 0.208 0.000 2.562 309 Y HA 0.560 5.110 4.550 -0.000 0.000 0.343 309 Y C -0.130 175.867 175.900 0.160 0.000 1.025 309 Y CA -0.797 57.430 58.100 0.211 0.000 1.082 309 Y CB 2.062 40.700 38.460 0.296 0.000 1.264 309 Y HN 0.422 nan 8.280 nan 0.000 0.478 310 R N 1.362 122.077 120.500 0.358 0.000 2.437 310 R HA 0.851 5.191 4.340 -0.000 0.000 0.310 310 R C -1.685 174.780 176.300 0.275 0.000 0.955 310 R CA -0.474 55.767 56.100 0.234 0.000 0.851 310 R CB 1.044 31.423 30.300 0.132 0.000 1.161 310 R HN 0.767 nan 8.270 nan 0.000 0.446 311 A N 3.984 126.913 122.820 0.182 0.000 2.330 311 A HA 0.607 4.927 4.320 -0.000 0.000 0.313 311 A C -1.216 176.418 177.584 0.082 0.000 1.124 311 A CA -0.678 51.452 52.037 0.156 0.000 0.774 311 A CB 1.610 20.677 19.000 0.112 0.000 1.198 311 A HN 0.492 nan 8.150 nan 0.000 0.465 312 V N 2.575 122.543 119.914 0.091 0.000 2.483 312 V HA 0.461 4.581 4.120 -0.000 0.000 0.295 312 V C -0.366 175.691 176.094 -0.061 0.000 1.035 312 V CA -0.501 61.792 62.300 -0.011 0.000 0.896 312 V CB 1.776 33.615 31.823 0.027 0.000 0.986 312 V HN 0.622 nan 8.190 nan 0.000 0.447 313 V N 5.070 124.895 119.914 -0.147 0.000 2.304 313 V HA 0.376 4.496 4.120 -0.000 0.000 0.278 313 V C -0.185 175.834 176.094 -0.126 0.000 1.018 313 V CA -0.566 61.624 62.300 -0.185 0.000 0.814 313 V CB 1.330 32.920 31.823 -0.388 0.000 1.021 313 V HN 1.020 nan 8.190 nan 0.000 0.440 314 E N 5.057 125.218 120.200 -0.064 0.000 2.151 314 E HA 0.585 4.935 4.350 -0.000 0.000 0.275 314 E C -0.846 175.818 176.600 0.106 0.000 0.936 314 E CA -0.988 55.405 56.400 -0.012 0.000 0.777 314 E CB 2.587 32.248 29.700 -0.065 0.000 1.108 314 E HN 0.409 nan 8.360 nan 0.000 0.401 315 L N 5.044 126.339 121.223 0.119 0.000 2.257 315 L HA 0.335 4.675 4.340 -0.000 0.000 0.290 315 L C -0.879 176.153 176.870 0.269 0.000 1.044 315 L CA 0.088 55.021 54.840 0.156 0.000 0.810 315 L CB 0.047 42.146 42.059 0.067 0.000 1.193 315 L HN 0.695 nan 8.230 nan 0.000 0.425 316 H N 1.057 120.142 119.070 0.025 0.000 2.942 316 H HA 0.588 5.144 4.556 -0.000 0.000 0.316 316 H C -0.817 174.554 175.328 0.073 0.000 1.323 316 H CA -0.350 55.725 56.048 0.046 0.000 1.144 316 H CB 0.411 30.196 29.762 0.038 0.000 1.866 316 H HN 0.516 nan 8.280 nan 0.000 0.545 317 T N -2.839 111.780 114.554 0.107 0.000 2.874 317 T HA 0.526 4.876 4.350 -0.000 0.000 0.281 317 T C 1.500 176.254 174.700 0.089 0.000 0.994 317 T CA -0.135 62.042 62.100 0.129 0.000 1.015 317 T CB 1.207 70.245 68.868 0.283 0.000 1.028 317 T HN 0.794 nan 8.240 nan 0.000 0.523 318 A N 1.307 124.195 122.820 0.114 0.000 1.978 318 A HA -0.123 4.197 4.320 -0.000 0.000 0.220 318 A C 1.989 179.639 177.584 0.110 0.000 1.170 318 A CA 1.784 53.875 52.037 0.090 0.000 0.636 318 A CB -1.031 18.032 19.000 0.105 0.000 0.810 318 A HN 0.984 nan 8.150 nan 0.000 0.448 319 D N -2.053 118.412 120.400 0.107 0.000 2.264 319 D HA 0.159 4.799 4.640 -0.000 0.000 0.208 319 D C 1.339 177.699 176.300 0.099 0.000 0.966 319 D CA 1.456 55.503 54.000 0.079 0.000 0.864 319 D CB -0.544 40.284 40.800 0.047 0.000 0.933 319 D HN 0.853 nan 8.370 nan 0.000 0.499 320 G N -0.762 108.137 108.800 0.166 0.000 2.336 320 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.194 320 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.194 320 G C 0.397 175.376 174.900 0.132 0.000 0.999 320 G CA 0.066 45.260 45.100 0.156 0.000 0.669 320 G HN 0.386 nan 8.290 nan 0.000 0.482 321 T N 2.109 116.741 114.554 0.129 0.000 2.822 321 T HA 0.314 4.664 4.350 -0.000 0.000 0.288 321 T C 0.586 175.375 174.700 0.149 0.000 0.991 321 T CA 0.429 62.595 62.100 0.109 0.000 1.176 321 T CB 0.969 69.894 68.868 0.094 0.000 0.951 321 T HN 0.561 nan 8.240 nan 0.000 0.526 322 L N 4.618 125.899 121.223 0.097 0.000 2.380 322 L HA 0.329 4.669 4.340 -0.000 0.000 0.273 322 L C 0.875 177.805 176.870 0.100 0.000 1.138 322 L CA -0.022 54.876 54.840 0.097 0.000 0.832 322 L CB 0.460 42.542 42.059 0.038 0.000 1.124 322 L HN 0.677 nan 8.230 nan 0.000 0.454 323 I N 2.494 123.130 120.570 0.108 0.000 2.685 323 I HA 0.190 4.360 4.170 -0.000 0.000 0.251 323 I C 0.220 176.363 176.117 0.044 0.000 1.102 323 I CA 0.398 61.741 61.300 0.072 0.000 1.442 323 I CB 0.317 38.354 38.000 0.063 0.000 1.194 323 I HN 0.741 nan 8.210 nan 0.000 0.448 324 E N 0.144 120.369 120.200 0.043 0.000 2.419 324 E HA 0.538 4.888 4.350 -0.000 0.000 0.285 324 E C -1.942 174.679 176.600 0.035 0.000 1.079 324 E CA -0.741 55.679 56.400 0.033 0.000 0.864 324 E CB 1.240 30.926 29.700 -0.023 0.000 1.216 324 E HN 0.025 nan 8.360 nan 0.000 0.428 325 A N 2.683 125.561 122.820 0.096 0.000 2.380 325 A HA 0.822 5.142 4.320 -0.000 0.000 0.315 325 A C -0.895 176.775 177.584 0.143 0.000 1.101 325 A CA -0.604 51.477 52.037 0.073 0.000 0.771 325 A CB 1.759 20.791 19.000 0.053 0.000 1.287 325 A HN 0.540 nan 8.150 nan 0.000 0.436 326 E N -0.803 119.400 120.200 0.005 0.000 2.393 326 E HA 0.800 5.150 4.350 -0.000 0.000 0.273 326 E C -0.652 175.899 176.600 -0.081 0.000 0.918 326 E CA -0.332 56.100 56.400 0.052 0.000 0.773 326 E CB 2.323 31.924 29.700 -0.164 0.000 1.275 326 E HN 1.133 nan 8.360 nan 0.000 0.451 327 A N 0.035 122.886 122.820 0.051 0.000 2.557 327 A HA 0.853 5.173 4.320 -0.000 0.000 0.292 327 A C -1.201 176.474 177.584 0.152 0.000 1.139 327 A CA -0.203 51.821 52.037 -0.022 0.000 0.665 327 A CB 0.888 19.758 19.000 -0.217 0.000 1.285 327 A HN 1.021 nan 8.150 nan 0.000 0.433 328 C N -0.904 118.467 119.300 0.119 0.000 3.253 328 C HA 0.688 5.148 4.460 -0.000 0.000 0.342 328 C C -1.819 173.233 174.990 0.102 0.000 1.306 328 C CA -1.022 58.083 59.018 0.145 0.000 1.207 328 C CB 0.740 28.604 27.740 0.207 0.000 1.479 328 C HN 0.841 nan 8.230 nan 0.000 0.469 329 D N 1.068 121.519 120.400 0.084 0.000 2.304 329 D HA 0.594 5.234 4.640 -0.000 0.000 0.250 329 D C -0.301 176.035 176.300 0.059 0.000 1.107 329 D CA 0.104 54.161 54.000 0.094 0.000 0.885 329 D CB 1.895 42.758 40.800 0.105 0.000 1.192 329 D HN 0.585 nan 8.370 nan 0.000 0.436 330 V N 0.695 120.669 119.914 0.099 0.000 2.735 330 V HA 0.744 4.864 4.120 -0.000 0.000 0.310 330 V C 0.392 176.528 176.094 0.070 0.000 1.061 330 V CA -0.794 61.507 62.300 0.003 0.000 0.913 330 V CB 2.312 34.113 31.823 -0.037 0.000 1.005 330 V HN 0.662 nan 8.190 nan 0.000 0.428 331 G N 2.223 110.958 108.800 -0.108 0.000 2.590 331 G HA2 0.653 4.613 3.960 -0.000 0.000 0.310 331 G HA3 0.653 4.613 3.960 -0.000 0.000 0.310 331 G C -1.286 173.595 174.900 -0.031 0.000 1.347 331 G CA -0.477 44.654 45.100 0.052 0.000 0.963 331 G HN 0.378 nan 8.290 nan 0.000 0.494 332 F N 1.952 122.104 119.950 0.336 0.000 2.438 332 F HA 0.530 5.057 4.527 -0.000 0.000 0.360 332 F C 1.086 177.129 175.800 0.405 0.000 1.118 332 F CA -0.204 58.051 58.000 0.425 0.000 1.164 332 F CB 0.848 40.140 39.000 0.487 0.000 1.131 332 F HN 0.531 nan 8.300 nan 0.000 0.527 333 R N 1.068 121.860 120.500 0.486 0.000 2.716 333 R HA 0.606 4.946 4.340 -0.000 0.000 0.271 333 R C -1.677 174.708 176.300 0.142 0.000 1.028 333 R CA -1.200 54.996 56.100 0.160 0.000 0.883 333 R CB 1.884 32.290 30.300 0.177 0.000 1.250 333 R HN 0.455 nan 8.270 nan 0.000 0.465 334 E N 1.661 121.842 120.200 -0.030 0.000 2.260 334 E HA 0.393 4.743 4.350 -0.000 0.000 0.266 334 E C -1.481 175.148 176.600 0.049 0.000 0.887 334 E CA -0.911 55.538 56.400 0.083 0.000 0.777 334 E CB 2.292 32.059 29.700 0.112 0.000 1.205 334 E HN 0.441 nan 8.360 nan 0.000 0.414 335 V N 4.838 124.784 119.914 0.052 0.000 2.370 335 V HA 0.644 4.764 4.120 -0.000 0.000 0.283 335 V C -0.048 176.068 176.094 0.037 0.000 1.023 335 V CA -0.676 61.635 62.300 0.018 0.000 0.857 335 V CB 1.156 32.970 31.823 -0.014 0.000 0.985 335 V HN 0.706 nan 8.190 nan 0.000 0.443 336 R N 4.471 124.991 120.500 0.034 0.000 2.594 336 R HA 0.616 4.956 4.340 -0.000 0.000 0.265 336 R C -2.087 174.232 176.300 0.032 0.000 1.070 336 R CA -0.680 55.446 56.100 0.043 0.000 0.909 336 R CB 1.761 32.100 30.300 0.065 0.000 1.243 336 R HN 0.685 nan 8.270 nan 0.000 0.455 337 I N 3.051 123.640 120.570 0.032 0.000 2.359 337 I HA 0.384 4.554 4.170 -0.000 0.000 0.294 337 I C 0.048 176.184 176.117 0.032 0.000 0.987 337 I CA -0.445 60.871 61.300 0.027 0.000 1.225 337 I CB 1.803 39.820 38.000 0.029 0.000 1.366 337 I HN 0.709 nan 8.210 nan 0.000 0.466 338 E N 4.678 124.895 120.200 0.028 0.000 2.431 338 E HA 0.232 4.582 4.350 -0.000 0.000 0.268 338 E C -0.100 176.515 176.600 0.025 0.000 0.953 338 E CA -0.860 55.559 56.400 0.031 0.000 0.810 338 E CB 1.258 30.979 29.700 0.035 0.000 1.369 338 E HN 0.487 nan 8.360 nan 0.000 0.440 339 N N 0.387 119.102 118.700 0.024 0.000 2.828 339 N HA -0.245 4.495 4.740 -0.000 0.000 0.277 339 N C 0.398 175.917 175.510 0.016 0.000 0.971 339 N CA 1.829 54.891 53.050 0.020 0.000 0.861 339 N CB -1.264 37.234 38.487 0.017 0.000 0.925 339 N HN 0.830 nan 8.380 nan 0.000 0.585 340 G N -1.052 107.758 108.800 0.016 0.000 2.153 340 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.252 340 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.252 340 G C -0.158 174.743 174.900 0.002 0.000 0.994 340 G CA 0.539 45.646 45.100 0.011 0.000 0.698 340 G HN 0.508 nan 8.290 nan 0.000 0.521 341 L N -0.927 120.297 121.223 0.003 0.000 2.445 341 L HA 0.628 4.968 4.340 -0.000 0.000 0.262 341 L C -0.346 176.519 176.870 -0.009 0.000 0.974 341 L CA -1.279 53.556 54.840 -0.008 0.000 0.822 341 L CB 2.064 44.119 42.059 -0.007 0.000 1.339 341 L HN 0.068 nan 8.230 nan 0.000 0.409 342 L N 3.802 125.009 121.223 -0.026 0.000 2.261 342 L HA 0.498 4.838 4.340 -0.000 0.000 0.289 342 L C -0.949 175.903 176.870 -0.030 0.000 1.059 342 L CA 0.308 55.130 54.840 -0.030 0.000 0.816 342 L CB 0.446 42.475 42.059 -0.050 0.000 1.191 342 L HN 0.385 nan 8.230 nan 0.000 0.431 343 L N 5.730 126.947 121.223 -0.009 0.000 2.331 343 L HA 0.566 4.906 4.340 -0.000 0.000 0.275 343 L C -0.666 176.204 176.870 -0.000 0.000 1.022 343 L CA -0.658 54.185 54.840 0.005 0.000 0.812 343 L CB 1.824 43.905 42.059 0.037 0.000 1.257 343 L HN 0.553 nan 8.230 nan 0.000 0.435 344 L N 3.445 124.680 121.223 0.019 0.000 2.372 344 L HA 0.476 4.816 4.340 -0.000 0.000 0.274 344 L C -0.446 176.432 176.870 0.014 0.000 0.988 344 L CA -0.293 54.556 54.840 0.015 0.000 0.833 344 L CB 0.882 42.931 42.059 -0.018 0.000 1.236 344 L HN 0.678 nan 8.230 nan 0.000 0.410 345 N N 4.048 122.661 118.700 -0.145 0.000 2.721 345 N HA -0.226 4.514 4.740 -0.000 0.000 0.249 345 N C 0.802 176.040 175.510 -0.454 0.000 1.072 345 N CA 1.385 54.134 53.050 -0.502 0.000 0.710 345 N CB -1.248 36.785 38.487 -0.757 0.000 0.993 345 N HN 1.157 nan 8.380 nan 0.000 0.547 346 G N -2.058 106.710 108.800 -0.052 0.000 2.254 346 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.225 346 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.225 346 G C -0.203 174.730 174.900 0.054 0.000 1.003 346 G CA 0.494 45.632 45.100 0.062 0.000 0.622 346 G HN 0.414 nan 8.290 nan 0.000 0.507 347 K N 1.465 121.903 120.400 0.064 0.000 2.207 347 K HA 0.526 4.846 4.320 -0.000 0.000 0.255 347 K C -2.984 173.628 176.600 0.020 0.000 0.941 347 K CA -2.147 54.160 56.287 0.033 0.000 0.825 347 K CB 2.671 35.160 32.500 -0.018 0.000 1.119 347 K HN 0.095 nan 8.250 nan 0.000 0.430 348 P HA 0.126 nan 4.420 nan 0.000 0.271 348 P C -0.183 177.086 177.300 -0.052 0.000 1.233 348 P CA -0.013 63.067 63.100 -0.032 0.000 0.764 348 P CB 0.426 32.104 31.700 -0.036 0.000 0.825 349 L N 3.359 124.545 121.223 -0.061 0.000 2.468 349 L HA 0.388 4.728 4.340 -0.000 0.000 0.254 349 L C 0.577 177.398 176.870 -0.082 0.000 1.171 349 L CA -0.819 53.981 54.840 -0.066 0.000 0.809 349 L CB 0.401 42.393 42.059 -0.112 0.000 1.155 349 L HN 0.229 nan 8.230 nan 0.000 0.473 350 L N 2.630 123.822 121.223 -0.052 0.000 2.427 350 L HA 0.425 4.765 4.340 -0.000 0.000 0.264 350 L C -0.543 176.300 176.870 -0.046 0.000 0.989 350 L CA -0.246 54.547 54.840 -0.078 0.000 0.865 350 L CB 0.855 42.911 42.059 -0.004 0.000 1.209 350 L HN 0.212 nan 8.230 nan 0.000 0.430 351 I N 4.392 124.858 120.570 -0.173 0.000 2.452 351 I HA 0.206 4.376 4.170 -0.000 0.000 0.287 351 I C 0.407 176.481 176.117 -0.072 0.000 1.079 351 I CA 0.001 61.214 61.300 -0.147 0.000 1.387 351 I CB 0.531 38.327 38.000 -0.340 0.000 1.404 351 I HN 0.563 nan 8.210 nan 0.000 0.522 352 R N 4.652 125.201 120.500 0.082 0.000 2.575 352 R HA 0.532 4.872 4.340 -0.000 0.000 0.281 352 R C 0.322 176.734 176.300 0.187 0.000 1.272 352 R CA -0.247 55.958 56.100 0.175 0.000 1.417 352 R CB 1.235 31.506 30.300 -0.048 0.000 1.121 352 R HN 0.834 nan 8.270 nan 0.000 0.583 353 G N -0.010 108.865 108.800 0.125 0.000 2.685 353 G HA2 0.665 4.625 3.960 -0.000 0.000 0.298 353 G HA3 0.665 4.625 3.960 -0.000 0.000 0.298 353 G C -1.472 173.753 174.900 0.542 0.000 1.277 353 G CA -0.579 44.638 45.100 0.194 0.000 0.986 353 G HN 0.235 nan 8.290 nan 0.000 0.487 354 V N -0.203 120.060 119.914 0.581 0.000 2.971 354 V HA 0.489 4.609 4.120 -0.000 0.000 0.309 354 V C -1.016 175.280 176.094 0.337 0.000 1.130 354 V CA -1.169 61.362 62.300 0.386 0.000 0.964 354 V CB 2.193 33.958 31.823 -0.097 0.000 1.029 354 V HN 0.804 nan 8.190 nan 0.000 0.427 355 N N 4.359 123.176 118.700 0.195 0.000 2.524 355 N HA 0.525 5.265 4.740 -0.000 0.000 0.283 355 N C -0.771 174.615 175.510 -0.207 0.000 1.142 355 N CA -0.513 52.532 53.050 -0.008 0.000 0.984 355 N CB 1.476 40.055 38.487 0.154 0.000 1.155 355 N HN 0.632 nan 8.380 nan 0.000 0.467 356 R N 1.900 122.215 120.500 -0.309 0.000 2.659 356 R HA 0.163 4.503 4.340 -0.000 0.000 0.290 356 R C -1.243 174.862 176.300 -0.324 0.000 1.253 356 R CA -0.501 55.426 56.100 -0.289 0.000 1.010 356 R CB 0.306 30.424 30.300 -0.304 0.000 1.236 356 R HN 0.637 nan 8.270 nan 0.000 0.413 357 H N 1.394 120.310 119.070 -0.257 0.000 2.703 357 H HA 0.114 4.670 4.556 -0.000 0.000 0.377 357 H C -0.236 175.073 175.328 -0.031 0.000 1.392 357 H CA 0.531 56.523 56.048 -0.093 0.000 1.458 357 H CB 0.813 30.593 29.762 0.030 0.000 1.529 357 H HN 0.439 nan 8.280 nan 0.000 0.619 358 E N 0.969 121.330 120.200 0.269 0.000 2.103 358 E HA 0.132 4.482 4.350 -0.000 0.000 0.254 358 E C -1.014 175.724 176.600 0.229 0.000 0.940 358 E CA -0.208 56.282 56.400 0.149 0.000 0.771 358 E CB 0.342 30.131 29.700 0.149 0.000 1.153 358 E HN 0.410 nan 8.360 nan 0.000 0.428 359 H N 1.160 120.286 119.070 0.094 0.000 2.717 359 H HA 0.307 4.863 4.556 -0.000 0.000 0.366 359 H C -1.559 173.835 175.328 0.110 0.000 1.132 359 H CA -0.631 55.472 56.048 0.092 0.000 1.180 359 H CB 1.199 31.000 29.762 0.065 0.000 1.678 359 H HN 0.344 nan 8.280 nan 0.000 0.537 360 H N 6.362 125.122 119.070 -0.516 0.000 3.018 360 H HA 0.185 4.741 4.556 -0.000 0.000 0.334 360 H C -2.321 172.675 175.328 -0.552 0.000 0.983 360 H CA -2.225 53.602 56.048 -0.369 0.000 1.363 360 H CB 2.383 32.068 29.762 -0.129 0.000 1.668 360 H HN 0.518 nan 8.280 nan 0.000 0.513 361 P HA -0.180 nan 4.420 nan 0.000 0.218 361 P C 1.312 178.444 177.300 -0.281 0.000 1.152 361 P CA 1.159 64.002 63.100 -0.428 0.000 0.857 361 P CB 0.717 32.176 31.700 -0.401 0.000 0.787 362 L N -2.410 118.699 121.223 -0.190 0.000 2.286 362 L HA 0.073 4.413 4.340 -0.000 0.000 0.203 362 L C 2.458 179.288 176.870 -0.066 0.000 1.068 362 L CA 0.764 55.534 54.840 -0.116 0.000 0.811 362 L CB -0.750 41.171 42.059 -0.230 0.000 0.989 362 L HN -0.003 nan 8.230 nan 0.000 0.467 363 H N -0.606 118.621 119.070 0.262 0.000 2.548 363 H HA 0.226 4.782 4.556 -0.000 0.000 0.265 363 H C 1.472 176.749 175.328 -0.085 0.000 0.969 363 H CA 0.178 56.181 56.048 -0.075 0.000 1.155 363 H CB 0.324 29.841 29.762 -0.408 0.000 1.394 363 H HN 0.393 nan 8.280 nan 0.000 0.570 364 G N 1.322 110.104 108.800 -0.030 0.000 2.536 364 G HA2 -0.411 3.549 3.960 -0.000 0.000 0.277 364 G HA3 -0.411 3.549 3.960 -0.000 0.000 0.277 364 G C 0.739 175.565 174.900 -0.123 0.000 1.155 364 G CA 0.424 45.427 45.100 -0.162 0.000 0.960 364 G HN 0.436 nan 8.290 nan 0.000 0.544 365 Q N -0.037 119.693 119.800 -0.115 0.000 2.425 365 Q HA 0.405 4.745 4.340 -0.000 0.000 0.204 365 Q C 1.078 177.090 176.000 0.020 0.000 0.933 365 Q CA 0.184 55.925 55.803 -0.103 0.000 0.939 365 Q CB 0.487 29.039 28.738 -0.309 0.000 1.044 365 Q HN 0.447 nan 8.270 nan 0.000 0.513 366 V N 1.869 121.816 119.914 0.055 0.000 2.740 366 V HA 0.022 4.142 4.120 -0.000 0.000 0.303 366 V C 0.334 176.465 176.094 0.061 0.000 1.054 366 V CA 0.369 62.730 62.300 0.102 0.000 1.106 366 V CB 0.758 32.600 31.823 0.032 0.000 0.957 366 V HN 0.289 nan 8.190 nan 0.000 0.486 367 M N 3.722 123.365 119.600 0.070 0.000 2.762 367 M HA 0.613 5.093 4.480 -0.000 0.000 0.306 367 M C -0.675 175.574 176.300 -0.085 0.000 1.223 367 M CA -0.832 54.457 55.300 -0.018 0.000 0.896 367 M CB 1.721 34.275 32.600 -0.077 0.000 1.684 367 M HN 0.990 nan 8.290 nan 0.000 0.491 368 D N -2.355 117.983 120.400 -0.104 0.000 2.622 368 D HA 0.252 4.892 4.640 -0.000 0.000 0.255 368 D C 0.084 176.361 176.300 -0.040 0.000 1.246 368 D CA -0.653 53.302 54.000 -0.076 0.000 0.795 368 D CB 1.214 41.988 40.800 -0.043 0.000 1.369 368 D HN 0.572 nan 8.370 nan 0.000 0.425 369 E N -0.558 119.643 120.200 0.002 0.000 2.048 369 E HA -0.299 4.051 4.350 -0.000 0.000 0.202 369 E C 1.591 178.232 176.600 0.069 0.000 1.021 369 E CA 1.687 58.116 56.400 0.047 0.000 0.825 369 E CB 0.012 29.757 29.700 0.075 0.000 0.756 369 E HN 0.450 nan 8.360 nan 0.000 0.454 370 Q N -0.289 119.554 119.800 0.071 0.000 2.062 370 Q HA -0.201 4.139 4.340 -0.000 0.000 0.209 370 Q C 2.349 178.411 176.000 0.103 0.000 0.996 370 Q CA 2.197 58.052 55.803 0.086 0.000 0.859 370 Q CB -0.649 28.141 28.738 0.087 0.000 0.920 370 Q HN 0.343 nan 8.270 nan 0.000 0.415 371 T N 1.540 116.166 114.554 0.119 0.000 2.622 371 T HA -0.171 4.179 4.350 -0.000 0.000 0.266 371 T C 2.045 176.834 174.700 0.149 0.000 1.047 371 T CA 1.541 63.730 62.100 0.149 0.000 1.159 371 T CB -0.290 68.678 68.868 0.168 0.000 0.863 371 T HN 0.231 nan 8.240 nan 0.000 0.422 372 M N 0.751 120.439 119.600 0.147 0.000 2.226 372 M HA -0.188 4.292 4.480 -0.000 0.000 0.257 372 M C 2.489 178.900 176.300 0.185 0.000 1.070 372 M CA 1.803 57.255 55.300 0.253 0.000 1.087 372 M CB -1.058 31.691 32.600 0.248 0.000 1.278 372 M HN 0.127 nan 8.290 nan 0.000 0.426 373 V N -0.051 119.914 119.914 0.085 0.000 2.392 373 V HA -0.307 3.813 4.120 -0.000 0.000 0.249 373 V C 2.303 178.377 176.094 -0.034 0.000 1.059 373 V CA 2.228 64.507 62.300 -0.034 0.000 1.051 373 V CB -1.144 30.678 31.823 -0.001 0.000 0.658 373 V HN 0.575 nan 8.190 nan 0.000 0.455 374 Q N 0.034 119.871 119.800 0.062 0.000 2.061 374 Q HA -0.269 4.071 4.340 -0.000 0.000 0.204 374 Q C 2.057 178.142 176.000 0.142 0.000 0.984 374 Q CA 2.158 58.021 55.803 0.099 0.000 0.846 374 Q CB -0.181 28.635 28.738 0.130 0.000 0.902 374 Q HN 0.639 nan 8.270 nan 0.000 0.421 375 D N 0.350 120.858 120.400 0.181 0.000 2.178 375 D HA -0.152 4.488 4.640 -0.000 0.000 0.201 375 D C 1.958 178.230 176.300 -0.047 0.000 0.980 375 D CA 1.002 55.122 54.000 0.200 0.000 0.842 375 D CB -0.091 40.790 40.800 0.136 0.000 0.948 375 D HN 0.371 nan 8.370 nan 0.000 0.472 376 I N 0.915 121.450 120.570 -0.059 0.000 2.072 376 I HA -0.250 3.920 4.170 -0.000 0.000 0.235 376 I C 2.647 178.676 176.117 -0.147 0.000 1.058 376 I CA 0.815 61.993 61.300 -0.203 0.000 1.320 376 I CB -0.730 37.026 38.000 -0.408 0.000 1.047 376 I HN -0.000 nan 8.210 nan 0.000 0.397 377 L N 0.572 121.719 121.223 -0.126 0.000 2.010 377 L HA -0.299 4.041 4.340 -0.000 0.000 0.219 377 L C 2.727 179.696 176.870 0.165 0.000 1.077 377 L CA 1.581 56.450 54.840 0.049 0.000 0.773 377 L CB -0.888 41.206 42.059 0.057 0.000 0.892 377 L HN 0.315 nan 8.230 nan 0.000 0.436 378 L N -0.967 120.367 121.223 0.185 0.000 2.013 378 L HA -0.296 4.044 4.340 -0.000 0.000 0.212 378 L C 2.783 179.856 176.870 0.337 0.000 1.073 378 L CA 1.713 56.746 54.840 0.321 0.000 0.753 378 L CB -0.333 42.020 42.059 0.489 0.000 0.890 378 L HN 0.343 nan 8.230 nan 0.000 0.432 379 M N -0.935 118.697 119.600 0.054 0.000 2.117 379 M HA -0.239 4.241 4.480 -0.000 0.000 0.262 379 M C 2.282 178.700 176.300 0.196 0.000 1.065 379 M CA 1.719 56.974 55.300 -0.075 0.000 1.114 379 M CB -0.409 31.925 32.600 -0.442 0.000 1.361 379 M HN 0.127 nan 8.290 nan 0.000 0.408 380 K N 0.299 120.746 120.400 0.078 0.000 2.009 380 K HA -0.210 4.110 4.320 -0.000 0.000 0.210 380 K C 2.024 178.752 176.600 0.213 0.000 1.049 380 K CA 1.704 57.985 56.287 -0.011 0.000 0.929 380 K CB -0.372 31.959 32.500 -0.283 0.000 0.714 380 K HN 0.424 nan 8.250 nan 0.000 0.440 381 Q N 0.584 120.644 119.800 0.432 0.000 2.152 381 Q HA -0.123 4.217 4.340 -0.000 0.000 0.206 381 Q C 1.362 177.718 176.000 0.594 0.000 0.985 381 Q CA 1.184 57.328 55.803 0.567 0.000 0.863 381 Q CB -0.048 28.974 28.738 0.475 0.000 0.904 381 Q HN 0.266 nan 8.270 nan 0.000 0.422 382 N N 0.663 119.649 118.700 0.477 0.000 2.434 382 N HA -0.024 4.716 4.740 -0.000 0.000 0.196 382 N C -0.534 175.129 175.510 0.255 0.000 1.183 382 N CA 0.213 53.525 53.050 0.437 0.000 0.849 382 N CB 0.290 39.121 38.487 0.574 0.000 0.992 382 N HN 0.220 nan 8.380 nan 0.000 0.460 383 N N -0.221 118.611 118.700 0.220 0.000 2.776 383 N HA -0.193 4.547 4.740 -0.000 0.000 0.249 383 N C -0.906 174.487 175.510 -0.194 0.000 1.111 383 N CA 0.662 53.721 53.050 0.015 0.000 0.711 383 N CB -1.930 36.416 38.487 -0.234 0.000 1.065 383 N HN 0.219 nan 8.380 nan 0.000 0.556 384 F N 0.621 120.598 119.950 0.044 0.000 2.384 384 F HA 0.262 4.789 4.527 -0.000 0.000 0.338 384 F C 1.917 177.729 175.800 0.020 0.000 1.103 384 F CA -0.251 57.765 58.000 0.027 0.000 1.157 384 F CB 0.735 39.736 39.000 0.001 0.000 1.167 384 F HN -0.044 nan 8.300 nan 0.000 0.529 385 N N 0.704 119.531 118.700 0.212 0.000 2.420 385 N HA 0.335 5.075 4.740 -0.000 0.000 0.185 385 N C -0.355 175.218 175.510 0.106 0.000 1.033 385 N CA 0.203 53.334 53.050 0.134 0.000 0.879 385 N CB 0.295 38.919 38.487 0.229 0.000 1.071 385 N HN 0.602 nan 8.380 nan 0.000 0.437 386 A N 0.152 123.122 122.820 0.250 0.000 2.532 386 A HA 0.696 5.016 4.320 -0.000 0.000 0.290 386 A C -1.567 176.281 177.584 0.441 0.000 1.143 386 A CA -0.439 51.815 52.037 0.361 0.000 0.728 386 A CB 1.762 21.052 19.000 0.482 0.000 1.317 386 A HN -0.029 nan 8.150 nan 0.000 0.414 387 V N 0.084 120.286 119.914 0.480 0.000 2.925 387 V HA 0.778 4.898 4.120 -0.000 0.000 0.311 387 V C -0.642 175.562 176.094 0.184 0.000 1.104 387 V CA -0.787 61.731 62.300 0.364 0.000 0.954 387 V CB 1.910 33.876 31.823 0.239 0.000 1.022 387 V HN 1.067 nan 8.190 nan 0.000 0.427 388 R N 3.876 124.296 120.500 -0.133 0.000 2.589 388 R HA 0.545 4.885 4.340 -0.000 0.000 0.293 388 R C -0.959 175.169 176.300 -0.286 0.000 0.963 388 R CA -0.528 55.313 56.100 -0.431 0.000 0.905 388 R CB 1.476 31.272 30.300 -0.840 0.000 1.144 388 R HN 0.809 nan 8.270 nan 0.000 0.459 389 C N 3.638 122.783 119.300 -0.259 0.000 2.694 389 C HA 0.172 4.632 4.460 -0.000 0.000 0.517 389 C C 0.469 175.131 174.990 -0.547 0.000 1.184 389 C CA -0.626 58.193 59.018 -0.332 0.000 1.476 389 C CB -1.670 25.986 27.740 -0.141 0.000 1.743 389 C HN 0.727 nan 8.230 nan 0.000 0.612 390 S N 1.076 116.349 115.700 -0.713 0.000 2.509 390 S HA 0.091 4.561 4.470 -0.000 0.000 0.287 390 S C -0.087 173.549 174.600 -1.607 0.000 1.248 390 S CA 0.509 57.997 58.200 -1.186 0.000 1.089 390 S CB -0.014 62.492 63.200 -1.155 0.000 0.900 390 S HN 0.720 nan 8.310 nan 0.000 0.496 391 H N 3.859 122.142 119.070 -1.311 0.000 2.511 391 H HA 0.315 4.871 4.556 -0.000 0.000 0.228 391 H C -1.117 174.032 175.328 -0.298 0.000 1.424 391 H CA -0.335 55.421 56.048 -0.487 0.000 1.321 391 H CB -0.047 29.632 29.762 -0.138 0.000 1.720 391 H HN 0.897 nan 8.280 nan 0.000 0.512 392 Y N -2.846 117.509 120.300 0.092 0.000 2.841 392 Y HA 0.362 4.912 4.550 -0.000 0.000 0.373 392 Y C -3.406 172.566 175.900 0.120 0.000 1.170 392 Y CA -2.986 55.188 58.100 0.123 0.000 1.196 392 Y CB -0.066 38.472 38.460 0.131 0.000 1.433 392 Y HN -0.085 nan 8.280 nan 0.000 0.479 393 P HA 0.186 nan 4.420 nan 0.000 0.271 393 P C -0.541 177.015 177.300 0.426 0.000 1.216 393 P CA 0.176 63.522 63.100 0.409 0.000 0.771 393 P CB 0.603 32.501 31.700 0.331 0.000 0.864 394 N N 0.776 119.689 118.700 0.356 0.000 2.413 394 N HA 0.066 4.806 4.740 -0.000 0.000 0.266 394 N C 0.181 175.869 175.510 0.295 0.000 1.238 394 N CA -0.532 52.623 53.050 0.174 0.000 0.972 394 N CB 0.319 38.655 38.487 -0.252 0.000 1.210 394 N HN 0.597 nan 8.380 nan 0.000 0.547 395 H N 2.369 121.508 119.070 0.116 0.000 3.004 395 H HA 0.016 4.572 4.556 -0.000 0.000 0.316 395 H C -1.651 173.814 175.328 0.228 0.000 1.014 395 H CA -1.186 54.950 56.048 0.148 0.000 1.454 395 H CB 0.883 30.708 29.762 0.105 0.000 1.472 395 H HN 0.432 nan 8.280 nan 0.000 0.571 396 P HA -0.291 nan 4.420 nan 0.000 0.218 396 P C 1.907 179.515 177.300 0.513 0.000 1.165 396 P CA 0.998 64.365 63.100 0.445 0.000 0.922 396 P CB 0.128 31.942 31.700 0.190 0.000 0.794 397 L N -0.972 120.593 121.223 0.571 0.000 2.270 397 L HA -0.154 4.186 4.340 -0.000 0.000 0.217 397 L C 2.429 179.471 176.870 0.286 0.000 1.107 397 L CA 1.413 56.497 54.840 0.406 0.000 0.772 397 L CB -1.553 40.733 42.059 0.379 0.000 0.902 397 L HN 0.134 nan 8.230 nan 0.000 0.439 398 W N -0.503 120.832 121.300 0.059 0.000 2.317 398 W HA -0.344 4.316 4.660 -0.000 0.000 0.318 398 W C 2.179 178.590 176.519 -0.179 0.000 1.227 398 W CA 2.053 59.294 57.345 -0.173 0.000 1.269 398 W CB -0.510 28.695 29.460 -0.426 0.000 1.155 398 W HN 0.261 nan 8.180 nan 0.000 0.484 399 Y N 0.695 120.942 120.300 -0.087 0.000 2.274 399 Y HA -0.195 4.355 4.550 -0.000 0.000 0.290 399 Y C 2.867 178.552 175.900 -0.358 0.000 1.145 399 Y CA 2.016 59.844 58.100 -0.452 0.000 1.203 399 Y CB -1.292 36.649 38.460 -0.864 0.000 0.984 399 Y HN -0.181 nan 8.280 nan 0.000 0.533 400 T N 0.536 115.127 114.554 0.061 0.000 2.737 400 T HA -0.140 4.210 4.350 -0.000 0.000 0.265 400 T C 2.020 176.750 174.700 0.051 0.000 1.038 400 T CA 1.344 63.536 62.100 0.154 0.000 1.144 400 T CB -0.562 68.439 68.868 0.221 0.000 0.866 400 T HN 0.190 nan 8.240 nan 0.000 0.434 401 L N 0.917 122.127 121.223 -0.021 0.000 1.978 401 L HA -0.215 4.125 4.340 -0.000 0.000 0.218 401 L C 2.968 179.795 176.870 -0.071 0.000 1.075 401 L CA 1.496 56.331 54.840 -0.009 0.000 0.767 401 L CB -1.125 40.884 42.059 -0.083 0.000 0.890 401 L HN 0.406 nan 8.230 nan 0.000 0.434 402 C N -0.537 118.532 119.300 -0.384 0.000 2.411 402 C HA -0.150 4.310 4.460 -0.000 0.000 0.279 402 C C 2.349 177.387 174.990 0.080 0.000 1.288 402 C CA 0.119 58.998 59.018 -0.232 0.000 1.764 402 C CB -1.115 26.415 27.740 -0.350 0.000 1.974 402 C HN 0.545 nan 8.230 nan 0.000 0.498 403 D N 1.024 121.486 120.400 0.103 0.000 2.104 403 D HA -0.117 4.523 4.640 -0.000 0.000 0.194 403 D C 2.358 178.856 176.300 0.330 0.000 0.994 403 D CA 1.383 55.536 54.000 0.255 0.000 0.830 403 D CB -0.372 40.542 40.800 0.190 0.000 0.959 403 D HN 0.550 nan 8.370 nan 0.000 0.452 404 R N -0.670 119.906 120.500 0.127 0.000 2.073 404 R HA -0.046 4.294 4.340 -0.000 0.000 0.229 404 R C 2.355 178.540 176.300 -0.191 0.000 1.120 404 R CA 0.764 56.842 56.100 -0.037 0.000 0.967 404 R CB -0.442 29.767 30.300 -0.152 0.000 0.862 404 R HN 0.257 nan 8.270 nan 0.000 0.436 405 Y N -0.081 120.205 120.300 -0.023 0.000 2.395 405 Y HA 0.157 4.707 4.550 -0.000 0.000 0.293 405 Y C 1.119 176.914 175.900 -0.175 0.000 1.123 405 Y CA 1.071 59.125 58.100 -0.077 0.000 1.227 405 Y CB 0.196 38.589 38.460 -0.112 0.000 1.012 405 Y HN 0.280 nan 8.280 nan 0.000 0.552 406 G N 1.016 109.800 108.800 -0.026 0.000 2.898 406 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.267 406 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.267 406 G C -0.968 173.739 174.900 -0.321 0.000 1.061 406 G CA -0.411 44.539 45.100 -0.250 0.000 1.230 406 G HN 0.187 nan 8.290 nan 0.000 0.569 407 L N 0.702 121.823 121.223 -0.171 0.000 2.388 407 L HA 0.617 4.957 4.340 -0.000 0.000 0.264 407 L C -0.049 176.788 176.870 -0.055 0.000 0.998 407 L CA -1.507 53.205 54.840 -0.213 0.000 0.817 407 L CB 1.721 43.709 42.059 -0.119 0.000 1.338 407 L HN 0.323 nan 8.230 nan 0.000 0.414 408 Y N 1.422 121.840 120.300 0.197 0.000 2.309 408 Y HA 0.424 4.974 4.550 -0.000 0.000 0.327 408 Y C 0.246 176.279 175.900 0.222 0.000 1.172 408 Y CA -0.559 57.694 58.100 0.255 0.000 1.280 408 Y CB 1.057 39.653 38.460 0.227 0.000 1.234 408 Y HN 0.089 nan 8.280 nan 0.000 0.512 409 V N 3.133 123.251 119.914 0.340 0.000 2.680 409 V HA 0.433 4.553 4.120 -0.000 0.000 0.309 409 V C -0.813 175.361 176.094 0.132 0.000 1.052 409 V CA -1.064 61.377 62.300 0.234 0.000 0.908 409 V CB 2.242 34.192 31.823 0.212 0.000 1.001 409 V HN 0.467 nan 8.190 nan 0.000 0.431 410 V N 3.199 123.153 119.914 0.066 0.000 2.311 410 V HA 0.339 4.458 4.120 -0.000 0.000 0.275 410 V C -0.348 175.758 176.094 0.019 0.000 1.022 410 V CA -0.432 61.851 62.300 -0.029 0.000 0.830 410 V CB 1.430 33.151 31.823 -0.170 0.000 1.012 410 V HN 0.854 nan 8.190 nan 0.000 0.452 411 D N 4.312 124.744 120.400 0.053 0.000 2.277 411 D HA 0.284 4.924 4.640 -0.000 0.000 0.249 411 D C -0.218 176.223 176.300 0.235 0.000 1.134 411 D CA 0.083 54.204 54.000 0.202 0.000 0.863 411 D CB 1.309 42.240 40.800 0.218 0.000 1.143 411 D HN 0.663 nan 8.370 nan 0.000 0.458 412 E N 1.601 121.925 120.200 0.207 0.000 2.234 412 E HA 0.595 4.945 4.350 -0.000 0.000 0.266 412 E C -1.176 175.546 176.600 0.203 0.000 0.877 412 E CA -1.036 55.474 56.400 0.182 0.000 0.758 412 E CB 1.475 31.227 29.700 0.086 0.000 1.170 412 E HN 0.448 nan 8.360 nan 0.000 0.415 413 A N 3.671 126.613 122.820 0.203 0.000 2.425 413 A HA 0.095 4.415 4.320 -0.000 0.000 0.249 413 A C 0.353 178.051 177.584 0.191 0.000 1.084 413 A CA -0.312 51.831 52.037 0.177 0.000 0.781 413 A CB 0.201 19.277 19.000 0.126 0.000 1.019 413 A HN 0.676 nan 8.150 nan 0.000 0.490 414 N N 1.493 120.315 118.700 0.204 0.000 3.127 414 N HA 0.188 4.928 4.740 -0.000 0.000 0.317 414 N C -1.026 174.599 175.510 0.192 0.000 1.242 414 N CA 0.316 53.512 53.050 0.243 0.000 1.203 414 N CB -0.956 37.681 38.487 0.249 0.000 1.462 414 N HN 0.494 nan 8.380 nan 0.000 0.546 415 I N 0.578 121.252 120.570 0.174 0.000 2.468 415 I HA 0.288 4.458 4.170 -0.000 0.000 0.285 415 I C -0.468 175.732 176.117 0.139 0.000 1.039 415 I CA -0.595 60.792 61.300 0.146 0.000 1.074 415 I CB 1.879 39.944 38.000 0.109 0.000 1.228 415 I HN 0.181 nan 8.210 nan 0.000 0.436 416 E N 3.989 124.262 120.200 0.122 0.000 2.278 416 E HA 0.455 4.805 4.350 -0.000 0.000 0.272 416 E C -0.637 176.004 176.600 0.068 0.000 0.890 416 E CA -0.486 55.953 56.400 0.064 0.000 0.770 416 E CB 1.694 31.407 29.700 0.023 0.000 1.212 416 E HN 0.608 nan 8.360 nan 0.000 0.415 417 T N 0.454 115.033 114.554 0.041 0.000 3.487 417 T HA 0.155 4.505 4.350 -0.000 0.000 0.287 417 T C 0.926 175.647 174.700 0.036 0.000 1.004 417 T CA -0.278 61.874 62.100 0.086 0.000 0.977 417 T CB -0.346 68.572 68.868 0.082 0.000 1.180 417 T HN 0.671 nan 8.240 nan 0.000 0.490 418 H N 1.561 120.538 119.070 -0.155 0.000 2.330 418 H HA -0.168 4.388 4.556 -0.000 0.000 0.290 418 H C 2.362 177.553 175.328 -0.230 0.000 1.111 418 H CA 1.866 57.783 56.048 -0.218 0.000 1.226 418 H CB -0.287 29.300 29.762 -0.291 0.000 1.355 418 H HN 0.579 nan 8.280 nan 0.000 0.485 419 G N 0.177 108.839 108.800 -0.231 0.000 2.625 419 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.214 419 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.214 419 G C 0.572 175.599 174.900 0.211 0.000 1.132 419 G CA 0.050 45.056 45.100 -0.156 0.000 0.782 419 G HN 0.173 nan 8.290 nan 0.000 0.538 420 M N -0.059 119.699 119.600 0.264 0.000 2.113 420 M HA 0.342 4.822 4.480 -0.000 0.000 0.288 420 M C -0.399 175.950 176.300 0.083 0.000 1.225 420 M CA 0.075 55.489 55.300 0.190 0.000 1.148 420 M CB 1.257 33.921 32.600 0.106 0.000 1.388 420 M HN -0.180 nan 8.290 nan 0.000 0.469 421 V N 1.987 121.927 119.914 0.044 0.000 2.577 421 V HA 0.284 4.404 4.120 -0.000 0.000 0.294 421 V C -2.194 173.902 176.094 0.003 0.000 1.052 421 V CA -1.190 61.120 62.300 0.017 0.000 0.891 421 V CB 1.919 33.750 31.823 0.014 0.000 1.017 421 V HN 0.696 nan 8.190 nan 0.000 0.436 422 P HA 0.331 nan 4.420 nan 0.000 0.293 422 P C 1.213 178.513 177.300 0.001 0.000 1.298 422 P CA -0.511 62.587 63.100 -0.003 0.000 0.757 422 P CB 0.657 32.355 31.700 -0.004 0.000 1.262 423 M N -0.270 119.327 119.600 -0.006 0.000 2.159 423 M HA -0.198 4.282 4.480 -0.000 0.000 0.263 423 M C 1.826 178.134 176.300 0.014 0.000 1.063 423 M CA 1.788 57.083 55.300 -0.009 0.000 1.110 423 M CB -0.562 31.999 32.600 -0.066 0.000 1.374 423 M HN 0.330 nan 8.290 nan 0.000 0.411 424 N N -0.229 118.486 118.700 0.025 0.000 2.060 424 N HA -0.277 4.463 4.740 -0.000 0.000 0.195 424 N C 1.520 177.014 175.510 -0.027 0.000 1.028 424 N CA 1.471 54.538 53.050 0.029 0.000 0.861 424 N CB -0.052 38.444 38.487 0.014 0.000 1.029 424 N HN 0.246 nan 8.380 nan 0.000 0.428 425 R N 0.461 120.935 120.500 -0.044 0.000 2.335 425 R HA -0.272 4.068 4.340 -0.000 0.000 0.224 425 R C 2.033 178.242 176.300 -0.152 0.000 1.071 425 R CA 2.264 58.314 56.100 -0.083 0.000 0.786 425 R CB -0.652 29.601 30.300 -0.078 0.000 0.969 425 R HN 0.263 nan 8.270 nan 0.000 0.375 426 L N -1.289 119.772 121.223 -0.270 0.000 2.068 426 L HA -0.053 4.287 4.340 -0.000 0.000 0.204 426 L C 2.533 179.256 176.870 -0.246 0.000 1.076 426 L CA 1.578 56.124 54.840 -0.489 0.000 0.753 426 L CB -0.812 40.698 42.059 -0.914 0.000 0.910 426 L HN 0.543 nan 8.230 nan 0.000 0.439 427 T N -4.117 110.333 114.554 -0.173 0.000 3.025 427 T HA -0.184 4.166 4.350 -0.000 0.000 0.270 427 T C 1.155 175.782 174.700 -0.121 0.000 1.126 427 T CA 1.272 63.270 62.100 -0.171 0.000 1.105 427 T CB -0.283 68.478 68.868 -0.177 0.000 0.884 427 T HN 0.108 nan 8.240 nan 0.000 0.522 428 D N 0.872 121.232 120.400 -0.068 0.000 2.395 428 D HA 0.180 4.820 4.640 -0.000 0.000 0.213 428 D C -0.542 175.748 176.300 -0.017 0.000 1.110 428 D CA -0.257 53.715 54.000 -0.046 0.000 0.835 428 D CB 0.062 40.840 40.800 -0.036 0.000 0.965 428 D HN 0.332 nan 8.370 nan 0.000 0.505 429 D N -0.482 119.926 120.400 0.014 0.000 2.381 429 D HA 0.193 4.833 4.640 -0.000 0.000 0.235 429 D C -1.746 174.618 176.300 0.107 0.000 1.068 429 D CA -2.322 51.729 54.000 0.085 0.000 0.832 429 D CB 2.194 43.100 40.800 0.176 0.000 1.101 429 D HN -0.141 nan 8.370 nan 0.000 0.515 430 P HA -0.130 nan 4.420 nan 0.000 0.216 430 P C 1.064 178.361 177.300 -0.005 0.000 1.150 430 P CA 1.005 64.110 63.100 0.009 0.000 0.843 430 P CB 0.285 31.979 31.700 -0.009 0.000 0.787 431 R N -2.228 118.268 120.500 -0.006 0.000 2.249 431 R HA -0.133 4.207 4.340 -0.000 0.000 0.230 431 R C 1.560 177.690 176.300 -0.284 0.000 1.121 431 R CA 1.259 57.277 56.100 -0.137 0.000 0.997 431 R CB -0.585 29.619 30.300 -0.160 0.000 0.867 431 R HN 0.348 nan 8.270 nan 0.000 0.465 432 W N -1.441 119.802 121.300 -0.095 0.000 3.058 432 W HA 0.162 4.822 4.660 -0.000 0.000 0.306 432 W C 1.385 177.842 176.519 -0.103 0.000 1.188 432 W CA -0.584 56.702 57.345 -0.098 0.000 1.651 432 W CB -0.154 29.247 29.460 -0.099 0.000 1.051 432 W HN -0.010 nan 8.180 nan 0.000 0.592 433 L N 2.794 124.046 121.223 0.050 0.000 2.064 433 L HA -0.177 4.163 4.340 -0.000 0.000 0.216 433 L C -0.626 176.208 176.870 -0.060 0.000 1.077 433 L CA 2.448 57.275 54.840 -0.022 0.000 0.766 433 L CB -1.845 40.191 42.059 -0.037 0.000 0.890 433 L HN -0.183 nan 8.230 nan 0.000 0.435 434 P HA -0.085 nan 4.420 nan 0.000 0.215 434 P C 1.621 178.869 177.300 -0.088 0.000 1.157 434 P CA 2.110 65.149 63.100 -0.101 0.000 0.859 434 P CB -0.295 31.335 31.700 -0.116 0.000 0.786 435 A N -0.314 122.469 122.820 -0.062 0.000 1.940 435 A HA -0.163 4.157 4.320 -0.000 0.000 0.219 435 A C 2.198 179.797 177.584 0.025 0.000 1.176 435 A CA 2.063 54.096 52.037 -0.007 0.000 0.631 435 A CB -1.445 17.583 19.000 0.046 0.000 0.814 435 A HN 0.148 nan 8.150 nan 0.000 0.446 436 M N -0.083 119.533 119.600 0.027 0.000 2.447 436 M HA -0.050 4.430 4.480 -0.000 0.000 0.264 436 M C 2.315 178.561 176.300 -0.089 0.000 1.095 436 M CA 1.262 56.556 55.300 -0.010 0.000 1.125 436 M CB -0.218 32.360 32.600 -0.037 0.000 1.389 436 M HN 0.575 nan 8.290 nan 0.000 0.459 437 S N 0.570 116.186 115.700 -0.140 0.000 2.383 437 S HA -0.100 4.370 4.470 -0.000 0.000 0.227 437 S C 1.730 176.159 174.600 -0.285 0.000 1.026 437 S CA 0.906 58.954 58.200 -0.254 0.000 0.981 437 S CB -0.330 62.696 63.200 -0.291 0.000 0.818 437 S HN 0.422 nan 8.310 nan 0.000 0.472 438 E N 1.208 121.293 120.200 -0.192 0.000 2.204 438 E HA -0.080 4.270 4.350 -0.000 0.000 0.195 438 E C 2.308 178.824 176.600 -0.140 0.000 0.990 438 E CA 0.721 57.020 56.400 -0.169 0.000 0.821 438 E CB -0.135 29.499 29.700 -0.111 0.000 0.750 438 E HN 0.633 nan 8.360 nan 0.000 0.477 439 R N 0.022 120.459 120.500 -0.105 0.000 2.062 439 R HA -0.041 4.299 4.340 -0.000 0.000 0.226 439 R C 2.507 178.763 176.300 -0.075 0.000 1.125 439 R CA 0.916 56.986 56.100 -0.050 0.000 0.966 439 R CB -0.128 30.178 30.300 0.009 0.000 0.861 439 R HN -0.015 nan 8.270 nan 0.000 0.433 440 V N 0.753 120.584 119.914 -0.138 0.000 2.302 440 V HA -0.227 3.893 4.120 -0.000 0.000 0.243 440 V C 2.674 178.605 176.094 -0.271 0.000 1.036 440 V CA 2.225 64.430 62.300 -0.160 0.000 1.020 440 V CB -0.760 30.959 31.823 -0.174 0.000 0.657 440 V HN 0.559 nan 8.190 nan 0.000 0.453 441 T N 0.317 114.579 114.554 -0.486 0.000 2.684 441 T HA -0.291 4.059 4.350 -0.000 0.000 0.267 441 T C 1.929 176.477 174.700 -0.253 0.000 1.036 441 T CA 1.723 63.459 62.100 -0.606 0.000 1.148 441 T CB -0.546 67.829 68.868 -0.823 0.000 0.863 441 T HN 0.485 nan 8.240 nan 0.000 0.436 442 R N 0.884 121.266 120.500 -0.196 0.000 2.152 442 R HA 0.046 4.386 4.340 -0.000 0.000 0.232 442 R C 2.719 178.956 176.300 -0.105 0.000 1.117 442 R CA 1.550 57.574 56.100 -0.128 0.000 0.981 442 R CB -0.679 29.554 30.300 -0.112 0.000 0.870 442 R HN 0.591 nan 8.270 nan 0.000 0.451 443 M N 0.955 120.499 119.600 -0.093 0.000 2.200 443 M HA -0.098 4.382 4.480 -0.000 0.000 0.265 443 M C 1.769 178.011 176.300 -0.097 0.000 1.066 443 M CA 1.617 56.890 55.300 -0.044 0.000 1.127 443 M CB 0.053 32.686 32.600 0.056 0.000 1.379 443 M HN -0.069 nan 8.290 nan 0.000 0.420 444 V N 1.579 121.350 119.914 -0.239 0.000 2.358 444 V HA -0.250 3.870 4.120 -0.000 0.000 0.246 444 V C 2.346 178.319 176.094 -0.202 0.000 1.047 444 V CA 1.933 63.975 62.300 -0.429 0.000 1.035 444 V CB -1.204 30.314 31.823 -0.508 0.000 0.658 444 V HN 0.588 nan 8.190 nan 0.000 0.452 445 Q N -0.150 119.575 119.800 -0.125 0.000 2.226 445 Q HA -0.205 4.135 4.340 -0.000 0.000 0.204 445 Q C 2.422 178.333 176.000 -0.148 0.000 0.975 445 Q CA 1.361 57.093 55.803 -0.119 0.000 0.866 445 Q CB -0.219 28.482 28.738 -0.061 0.000 0.915 445 Q HN 0.570 nan 8.270 nan 0.000 0.440 446 R N 0.539 120.958 120.500 -0.135 0.000 2.080 446 R HA -0.072 4.268 4.340 -0.000 0.000 0.222 446 R C 0.331 176.563 176.300 -0.114 0.000 1.107 446 R CA 1.158 57.166 56.100 -0.153 0.000 0.980 446 R CB 0.508 30.724 30.300 -0.139 0.000 0.879 446 R HN 0.148 nan 8.270 nan 0.000 0.439 447 D N -0.226 120.157 120.400 -0.028 0.000 2.479 447 D HA 0.025 4.665 4.640 -0.000 0.000 0.218 447 D C 1.076 177.455 176.300 0.132 0.000 1.177 447 D CA -0.006 54.011 54.000 0.028 0.000 0.830 447 D CB 0.527 41.238 40.800 -0.149 0.000 1.014 447 D HN 0.315 nan 8.370 nan 0.000 0.503 448 R N 0.535 121.105 120.500 0.117 0.000 2.241 448 R HA 0.033 4.373 4.340 -0.000 0.000 0.224 448 R C 1.016 177.294 176.300 -0.038 0.000 1.101 448 R CA 1.015 57.206 56.100 0.151 0.000 0.995 448 R CB -0.350 29.974 30.300 0.040 0.000 0.870 448 R HN -0.091 nan 8.270 nan 0.000 0.463 449 N N 0.255 118.853 118.700 -0.170 0.000 2.336 449 N HA -0.019 4.721 4.740 -0.000 0.000 0.189 449 N C -0.467 174.896 175.510 -0.245 0.000 1.113 449 N CA 0.180 53.095 53.050 -0.225 0.000 0.858 449 N CB 0.111 38.435 38.487 -0.271 0.000 0.970 449 N HN 0.327 nan 8.380 nan 0.000 0.471 450 H N 1.605 120.589 119.070 -0.145 0.000 2.819 450 H HA 0.090 4.646 4.556 -0.000 0.000 0.303 450 H C -1.193 173.968 175.328 -0.279 0.000 1.058 450 H CA -1.122 54.825 56.048 -0.169 0.000 1.471 450 H CB 1.433 31.122 29.762 -0.123 0.000 1.480 450 H HN 0.045 nan 8.280 nan 0.000 0.517 451 P HA -0.147 nan 4.420 nan 0.000 0.222 451 P C 1.410 178.224 177.300 -0.810 0.000 1.147 451 P CA 1.045 63.760 63.100 -0.641 0.000 0.790 451 P CB 0.309 31.349 31.700 -1.099 0.000 0.780 452 S N -1.150 114.232 115.700 -0.531 0.000 2.395 452 S HA -0.010 4.460 4.470 -0.000 0.000 0.225 452 S C 1.086 175.665 174.600 -0.035 0.000 1.027 452 S CA 0.151 58.215 58.200 -0.226 0.000 0.965 452 S CB -1.406 61.823 63.200 0.048 0.000 0.812 452 S HN -0.085 nan 8.310 nan 0.000 0.482 453 V N 3.819 123.677 119.914 -0.093 0.000 2.493 453 V HA 0.139 4.259 4.120 -0.000 0.000 0.292 453 V C 0.997 176.939 176.094 -0.254 0.000 1.016 453 V CA 0.551 62.751 62.300 -0.167 0.000 1.097 453 V CB 0.225 31.858 31.823 -0.316 0.000 0.947 453 V HN 0.681 nan 8.190 nan 0.000 0.479 454 I N 2.933 123.393 120.570 -0.185 0.000 4.240 454 I HA 0.555 4.725 4.170 -0.000 0.000 0.331 454 I C 0.177 176.163 176.117 -0.217 0.000 1.381 454 I CA 0.308 61.503 61.300 -0.175 0.000 1.136 454 I CB 0.444 38.410 38.000 -0.056 0.000 1.137 454 I HN 0.351 nan 8.210 nan 0.000 0.411 455 I N 0.068 120.463 120.570 -0.291 0.000 2.841 455 I HA 0.391 4.561 4.170 -0.000 0.000 0.298 455 I C -1.683 174.267 176.117 -0.277 0.000 1.304 455 I CA -0.404 60.771 61.300 -0.209 0.000 1.019 455 I CB 2.159 40.134 38.000 -0.042 0.000 1.282 455 I HN 0.015 nan 8.210 nan 0.000 0.432 456 W N 3.122 124.457 121.300 0.059 0.000 2.627 456 W HA 0.719 5.379 4.660 -0.000 0.000 0.339 456 W C 0.122 176.692 176.519 0.086 0.000 1.058 456 W CA -0.698 56.688 57.345 0.067 0.000 1.223 456 W CB 1.868 31.365 29.460 0.061 0.000 1.389 456 W HN 0.333 nan 8.180 nan 0.000 0.541 457 S N 1.936 117.846 115.700 0.351 0.000 2.541 457 S HA 0.484 4.954 4.470 -0.000 0.000 0.280 457 S C -0.434 174.327 174.600 0.269 0.000 1.112 457 S CA -0.711 57.647 58.200 0.263 0.000 0.925 457 S CB 0.844 64.146 63.200 0.169 0.000 1.067 457 S HN 0.551 nan 8.310 nan 0.000 0.479 458 L N 3.830 125.215 121.223 0.271 0.000 2.688 458 L HA 0.494 4.834 4.340 -0.000 0.000 0.234 458 L C 1.251 178.236 176.870 0.191 0.000 1.192 458 L CA 0.237 55.182 54.840 0.175 0.000 0.984 458 L CB -1.053 41.031 42.059 0.041 0.000 1.232 458 L HN 1.034 nan 8.230 nan 0.000 0.465 459 G N 0.209 109.165 108.800 0.260 0.000 2.409 459 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.421 459 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.421 459 G C -1.439 173.603 174.900 0.237 0.000 1.259 459 G CA -0.757 44.485 45.100 0.236 0.000 1.011 459 G HN 0.210 nan 8.290 nan 0.000 0.497 460 N N 0.820 119.578 118.700 0.096 0.000 2.284 460 N HA 0.509 5.249 4.740 -0.000 0.000 0.289 460 N C 0.017 175.433 175.510 -0.156 0.000 1.179 460 N CA 0.150 53.107 53.050 -0.156 0.000 0.774 460 N CB 1.391 39.507 38.487 -0.618 0.000 1.548 460 N HN 0.962 nan 8.380 nan 0.000 0.473 461 E N 0.210 120.220 120.200 -0.316 0.000 1.867 461 E HA -0.206 4.144 4.350 -0.000 0.000 0.164 461 E C -0.964 175.487 176.600 -0.248 0.000 1.355 461 E CA 0.679 56.839 56.400 -0.401 0.000 0.575 461 E CB -1.855 27.395 29.700 -0.750 0.000 1.037 461 E HN 0.425 nan 8.360 nan 0.000 0.286 462 S N -0.034 115.669 115.700 0.005 0.000 2.740 462 S HA 0.499 4.969 4.470 -0.000 0.000 0.244 462 S C 0.882 175.613 174.600 0.218 0.000 1.101 462 S CA -0.487 57.778 58.200 0.108 0.000 1.123 462 S CB 1.252 64.556 63.200 0.174 0.000 1.012 462 S HN 0.919 nan 8.310 nan 0.000 0.491 463 G N 1.947 110.794 108.800 0.079 0.000 2.574 463 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.295 463 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.295 463 G C -0.382 174.687 174.900 0.282 0.000 1.300 463 G CA 0.090 45.257 45.100 0.110 0.000 0.944 463 G HN 0.797 nan 8.290 nan 0.000 0.551 464 H N 0.333 119.501 119.070 0.164 0.000 2.762 464 H HA 0.546 5.102 4.556 -0.000 0.000 0.310 464 H C 0.536 176.015 175.328 0.252 0.000 1.004 464 H CA -0.281 55.908 56.048 0.235 0.000 1.267 464 H CB 0.217 30.059 29.762 0.132 0.000 1.437 464 H HN 0.856 nan 8.280 nan 0.000 0.498 465 G N 1.552 110.640 108.800 0.481 0.000 2.489 465 G HA2 0.424 4.384 3.960 -0.000 0.000 0.327 465 G HA3 0.424 4.384 3.960 -0.000 0.000 0.327 465 G C 0.695 175.573 174.900 -0.036 0.000 1.189 465 G CA -0.148 44.981 45.100 0.048 0.000 0.962 465 G HN 0.698 nan 8.290 nan 0.000 0.486 466 A N 0.688 123.444 122.820 -0.107 0.000 2.024 466 A HA -0.101 4.219 4.320 -0.000 0.000 0.220 466 A C 2.109 179.669 177.584 -0.041 0.000 1.164 466 A CA 1.808 53.800 52.037 -0.075 0.000 0.643 466 A CB -0.414 18.549 19.000 -0.062 0.000 0.806 466 A HN 0.553 nan 8.150 nan 0.000 0.451 467 N N -0.309 118.331 118.700 -0.099 0.000 2.289 467 N HA -0.128 4.612 4.740 -0.000 0.000 0.184 467 N C 1.296 176.708 175.510 -0.163 0.000 1.016 467 N CA 1.628 54.594 53.050 -0.140 0.000 0.872 467 N CB -0.562 37.807 38.487 -0.196 0.000 0.973 467 N HN 0.784 nan 8.380 nan 0.000 0.433 468 H N -0.047 119.015 119.070 -0.014 0.000 2.363 468 H HA 0.023 4.579 4.556 -0.000 0.000 0.301 468 H C 1.194 176.563 175.328 0.068 0.000 1.074 468 H CA 1.196 57.216 56.048 -0.046 0.000 1.354 468 H CB 0.132 29.813 29.762 -0.135 0.000 1.397 468 H HN 0.179 nan 8.280 nan 0.000 0.516 469 D N 0.528 121.060 120.400 0.219 0.000 2.117 469 D HA -0.127 4.513 4.640 -0.000 0.000 0.197 469 D C 2.284 178.705 176.300 0.202 0.000 0.987 469 D CA 1.195 55.314 54.000 0.199 0.000 0.829 469 D CB -0.403 40.482 40.800 0.142 0.000 0.961 469 D HN 0.424 nan 8.370 nan 0.000 0.460 470 A N 0.973 123.866 122.820 0.121 0.000 1.858 470 A HA -0.121 4.199 4.320 -0.000 0.000 0.216 470 A C 2.356 180.027 177.584 0.144 0.000 1.190 470 A CA 1.027 53.131 52.037 0.112 0.000 0.617 470 A CB -0.877 18.151 19.000 0.048 0.000 0.827 470 A HN 0.228 nan 8.150 nan 0.000 0.443 471 L N -1.795 119.487 121.223 0.098 0.000 2.362 471 L HA -0.120 4.220 4.340 -0.000 0.000 0.219 471 L C 2.402 179.398 176.870 0.210 0.000 1.134 471 L CA 1.210 56.112 54.840 0.104 0.000 0.807 471 L CB -0.732 41.313 42.059 -0.023 0.000 0.927 471 L HN 0.585 nan 8.230 nan 0.000 0.447 472 Y N 0.890 121.254 120.300 0.108 0.000 2.109 472 Y HA -0.210 4.340 4.550 -0.000 0.000 0.285 472 Y C 2.886 178.859 175.900 0.121 0.000 1.131 472 Y CA 1.302 59.471 58.100 0.116 0.000 1.121 472 Y CB -0.129 38.397 38.460 0.111 0.000 0.987 472 Y HN -0.083 nan 8.280 nan 0.000 0.495 473 R N 0.458 121.106 120.500 0.246 0.000 2.096 473 R HA -0.265 4.075 4.340 -0.000 0.000 0.240 473 R C 2.083 178.404 176.300 0.035 0.000 1.139 473 R CA 2.091 58.249 56.100 0.096 0.000 0.952 473 R CB -1.809 28.600 30.300 0.182 0.000 0.854 473 R HN 0.704 nan 8.270 nan 0.000 0.436 474 W N 0.797 122.060 121.300 -0.061 0.000 2.298 474 W HA -0.252 4.408 4.660 -0.000 0.000 0.328 474 W C 2.062 178.489 176.519 -0.153 0.000 1.259 474 W CA 2.529 59.819 57.345 -0.092 0.000 1.251 474 W CB -0.580 28.829 29.460 -0.084 0.000 1.161 474 W HN 0.084 nan 8.180 nan 0.000 0.466 475 I N 0.786 121.399 120.570 0.072 0.000 2.151 475 I HA -0.412 3.758 4.170 -0.000 0.000 0.243 475 I C 2.524 178.456 176.117 -0.309 0.000 1.080 475 I CA 1.580 62.759 61.300 -0.202 0.000 1.339 475 I CB -0.876 37.054 38.000 -0.118 0.000 1.039 475 I HN -0.005 nan 8.210 nan 0.000 0.409 476 K N 0.632 120.851 120.400 -0.301 0.000 2.074 476 K HA -0.155 4.165 4.320 -0.000 0.000 0.209 476 K C 2.301 178.761 176.600 -0.233 0.000 1.048 476 K CA 1.418 57.538 56.287 -0.278 0.000 0.926 476 K CB -0.668 31.626 32.500 -0.342 0.000 0.713 476 K HN 0.228 nan 8.250 nan 0.000 0.444 477 S N 0.632 116.167 115.700 -0.276 0.000 2.344 477 S HA -0.109 4.361 4.470 -0.000 0.000 0.217 477 S C 2.107 176.499 174.600 -0.347 0.000 1.033 477 S CA 1.549 59.581 58.200 -0.281 0.000 1.017 477 S CB -0.218 62.798 63.200 -0.307 0.000 0.941 477 S HN 0.075 nan 8.310 nan 0.000 0.430 478 V N 0.961 120.527 119.914 -0.580 0.000 2.594 478 V HA -0.037 4.083 4.120 -0.000 0.000 0.253 478 V C 0.589 176.462 176.094 -0.368 0.000 1.069 478 V CA 1.322 63.270 62.300 -0.586 0.000 1.082 478 V CB -0.537 30.642 31.823 -1.073 0.000 0.680 478 V HN 0.432 nan 8.190 nan 0.000 0.469 479 D N -0.901 119.322 120.400 -0.295 0.000 2.411 479 D HA 0.221 4.861 4.640 -0.000 0.000 0.239 479 D C -2.061 174.217 176.300 -0.037 0.000 1.307 479 D CA -1.406 52.519 54.000 -0.125 0.000 0.930 479 D CB 1.593 42.372 40.800 -0.035 0.000 1.395 479 D HN 0.049 nan 8.370 nan 0.000 0.536 480 P HA -0.086 nan 4.420 nan 0.000 0.225 480 P C 1.424 178.740 177.300 0.026 0.000 1.156 480 P CA 0.569 63.657 63.100 -0.019 0.000 0.787 480 P CB 0.168 31.852 31.700 -0.027 0.000 0.802 481 S N -0.915 114.810 115.700 0.042 0.000 2.440 481 S HA -0.125 4.345 4.470 -0.000 0.000 0.238 481 S C 0.980 175.610 174.600 0.049 0.000 1.010 481 S CA 0.551 58.782 58.200 0.052 0.000 0.972 481 S CB -0.553 62.674 63.200 0.044 0.000 0.774 481 S HN 0.107 nan 8.310 nan 0.000 0.501 482 R N 0.966 121.512 120.500 0.077 0.000 2.686 482 R HA 0.564 4.904 4.340 -0.000 0.000 0.283 482 R C -3.048 173.303 176.300 0.085 0.000 0.978 482 R CA -2.345 53.772 56.100 0.029 0.000 0.897 482 R CB 1.790 32.051 30.300 -0.066 0.000 1.192 482 R HN 0.178 nan 8.270 nan 0.000 0.457 483 P HA 0.138 nan 4.420 nan 0.000 0.273 483 P C -0.806 176.587 177.300 0.156 0.000 1.250 483 P CA -0.418 62.736 63.100 0.090 0.000 0.793 483 P CB 0.662 32.403 31.700 0.067 0.000 1.011 484 V N 1.061 121.091 119.914 0.194 0.000 2.815 484 V HA 0.536 4.656 4.120 -0.000 0.000 0.314 484 V C 0.015 176.272 176.094 0.271 0.000 1.064 484 V CA -0.390 62.072 62.300 0.270 0.000 0.952 484 V CB 1.531 33.504 31.823 0.250 0.000 1.020 484 V HN 0.701 nan 8.190 nan 0.000 0.439 485 Q N 2.708 122.658 119.800 0.250 0.000 2.418 485 Q HA 0.751 5.091 4.340 -0.000 0.000 0.282 485 Q C -1.929 174.211 176.000 0.233 0.000 1.044 485 Q CA -0.957 54.956 55.803 0.183 0.000 0.813 485 Q CB 2.771 31.561 28.738 0.086 0.000 1.428 485 Q HN 0.682 nan 8.270 nan 0.000 0.402 486 Y N 0.668 120.953 120.300 -0.025 0.000 2.299 486 Y HA 0.163 4.713 4.550 -0.000 0.000 0.318 486 Y C -0.211 175.586 175.900 -0.172 0.000 1.205 486 Y CA -0.575 57.467 58.100 -0.097 0.000 1.106 486 Y CB 2.022 40.413 38.460 -0.116 0.000 1.246 486 Y HN 0.966 nan 8.280 nan 0.000 0.415 487 E N 3.703 123.396 120.200 -0.845 0.000 2.216 487 E HA 0.057 4.407 4.350 -0.000 0.000 0.192 487 E C 0.815 176.949 176.600 -0.777 0.000 0.988 487 E CA 0.810 56.811 56.400 -0.664 0.000 0.834 487 E CB 0.130 29.543 29.700 -0.479 0.000 0.772 487 E HN 0.918 nan 8.360 nan 0.000 0.479 488 G N 0.035 107.974 108.800 -1.435 0.000 2.460 488 G HA2 0.087 4.047 3.960 -0.000 0.000 0.230 488 G HA3 0.087 4.047 3.960 -0.000 0.000 0.230 488 G C 0.834 175.543 174.900 -0.318 0.000 1.248 488 G CA 0.362 44.995 45.100 -0.779 0.000 0.863 488 G HN 0.365 nan 8.290 nan 0.000 0.549 489 G N -0.188 108.526 108.800 -0.144 0.000 2.258 489 G HA2 0.216 4.176 3.960 -0.000 0.000 0.274 489 G HA3 0.216 4.176 3.960 -0.000 0.000 0.274 489 G C 1.262 176.155 174.900 -0.012 0.000 1.021 489 G CA 1.199 46.287 45.100 -0.020 0.000 0.798 489 G HN 2.611 nan 8.290 nan 0.000 0.507 490 G N -2.020 106.762 108.800 -0.031 0.000 2.273 490 G HA2 0.413 4.373 3.960 -0.000 0.000 0.162 490 G HA3 0.413 4.373 3.960 -0.000 0.000 0.162 490 G C 1.165 176.148 174.900 0.139 0.000 1.006 490 G CA 1.108 46.263 45.100 0.091 0.000 0.704 490 G HN 2.258 nan 8.290 nan 0.000 0.487 491 A N 0.174 122.958 122.820 -0.059 0.000 2.799 491 A HA -0.080 4.240 4.320 -0.000 0.000 0.274 491 A C 1.167 178.683 177.584 -0.113 0.000 1.393 491 A CA 2.677 54.622 52.037 -0.152 0.000 0.909 491 A CB -1.575 17.289 19.000 -0.227 0.000 1.012 491 A HN 2.098 nan 8.150 nan 0.000 0.653 492 D N -2.150 118.256 120.400 0.009 0.000 2.704 492 D HA 0.195 4.835 4.640 -0.000 0.000 0.291 492 D C 0.328 176.647 176.300 0.032 0.000 1.610 492 D CA 0.781 54.814 54.000 0.055 0.000 0.807 492 D CB -1.291 39.669 40.800 0.268 0.000 1.233 492 D HN 0.811 nan 8.370 nan 0.000 0.445 493 T N -1.940 112.576 114.554 -0.064 0.000 2.681 493 T HA 0.184 4.534 4.350 -0.000 0.000 0.333 493 T C 1.679 176.312 174.700 -0.112 0.000 1.049 493 T CA 0.812 62.849 62.100 -0.106 0.000 1.002 493 T CB 0.687 69.315 68.868 -0.399 0.000 1.161 493 T HN 0.080 nan 8.240 nan 0.000 0.519 494 T N -2.621 111.885 114.554 -0.079 0.000 3.072 494 T HA 0.197 4.547 4.350 -0.000 0.000 0.266 494 T C 1.648 176.110 174.700 -0.397 0.000 1.127 494 T CA 0.376 62.396 62.100 -0.134 0.000 1.107 494 T CB -0.547 68.305 68.868 -0.028 0.000 0.910 494 T HN 0.835 nan 8.240 nan 0.000 0.513 495 A N 0.507 123.116 122.820 -0.352 0.000 2.411 495 A HA 0.508 4.828 4.320 -0.000 0.000 0.251 495 A C 0.806 178.213 177.584 -0.295 0.000 1.317 495 A CA -0.220 51.543 52.037 -0.456 0.000 0.904 495 A CB -0.244 18.695 19.000 -0.101 0.000 0.993 495 A HN 0.452 nan 8.150 nan 0.000 0.504 496 T N -1.639 112.768 114.554 -0.246 0.000 2.916 496 T HA 0.379 4.729 4.350 -0.000 0.000 0.305 496 T C -0.677 174.062 174.700 0.066 0.000 1.119 496 T CA -0.479 61.631 62.100 0.017 0.000 1.008 496 T CB 1.324 70.188 68.868 -0.007 0.000 1.129 496 T HN 0.112 nan 8.240 nan 0.000 0.480 497 D N 2.502 123.006 120.400 0.174 0.000 2.367 497 D HA 0.284 4.924 4.640 -0.000 0.000 0.207 497 D C 0.270 176.608 176.300 0.063 0.000 1.034 497 D CA 0.505 54.591 54.000 0.144 0.000 0.861 497 D CB 0.679 41.579 40.800 0.168 0.000 0.943 497 D HN 0.472 nan 8.370 nan 0.000 0.515 498 I N 0.905 121.494 120.570 0.032 0.000 2.608 498 I HA 0.237 4.407 4.170 -0.000 0.000 0.295 498 I C -0.088 175.979 176.117 -0.084 0.000 1.049 498 I CA -0.802 60.484 61.300 -0.024 0.000 1.063 498 I CB 2.991 40.980 38.000 -0.018 0.000 1.248 498 I HN -0.327 nan 8.210 nan 0.000 0.424 499 I N 5.434 125.915 120.570 -0.148 0.000 2.329 499 I HA 0.096 4.266 4.170 -0.000 0.000 0.295 499 I C -0.008 175.913 176.117 -0.327 0.000 1.109 499 I CA -0.195 60.937 61.300 -0.281 0.000 1.297 499 I CB -0.030 37.726 38.000 -0.407 0.000 1.433 499 I HN 0.653 nan 8.210 nan 0.000 0.509 500 C N 5.819 124.947 119.300 -0.288 0.000 2.627 500 C HA 0.487 4.947 4.460 -0.000 0.000 0.369 500 C C -1.988 172.835 174.990 -0.278 0.000 1.246 500 C CA -2.394 56.480 59.018 -0.240 0.000 1.663 500 C CB -1.020 26.633 27.740 -0.146 0.000 1.778 500 C HN 0.408 nan 8.230 nan 0.000 0.516 501 P HA 0.349 nan 4.420 nan 0.000 0.274 501 P C -0.527 176.666 177.300 -0.179 0.000 1.256 501 P CA 0.080 63.017 63.100 -0.271 0.000 0.795 501 P CB 0.805 32.334 31.700 -0.285 0.000 1.038 502 M N -0.037 119.466 119.600 -0.161 0.000 2.134 502 M HA 0.475 4.955 4.480 -0.000 0.000 0.310 502 M C -1.220 174.977 176.300 -0.172 0.000 0.966 502 M CA -0.664 54.441 55.300 -0.324 0.000 0.922 502 M CB 1.219 33.553 32.600 -0.444 0.000 1.537 502 M HN 0.221 nan 8.290 nan 0.000 0.424 503 Y N -0.056 120.396 120.300 0.254 0.000 3.892 503 Y HA -0.129 4.421 4.550 -0.000 0.000 0.231 503 Y C 0.100 176.174 175.900 0.289 0.000 1.266 503 Y CA 0.438 58.709 58.100 0.286 0.000 1.856 503 Y CB -2.475 36.148 38.460 0.271 0.000 1.578 503 Y HN 0.988 nan 8.280 nan 0.000 0.669 504 A N 0.507 123.552 122.820 0.375 0.000 2.327 504 A HA 0.762 5.082 4.320 -0.000 0.000 0.283 504 A C 0.643 178.458 177.584 0.385 0.000 1.127 504 A CA -0.692 51.566 52.037 0.367 0.000 0.810 504 A CB 0.599 19.820 19.000 0.369 0.000 1.066 504 A HN 0.402 nan 8.150 nan 0.000 0.492 505 R N 0.905 121.560 120.500 0.259 0.000 2.577 505 R HA 0.363 4.703 4.340 -0.000 0.000 0.269 505 R C 1.124 177.405 176.300 -0.032 0.000 1.084 505 R CA -0.458 55.721 56.100 0.132 0.000 1.163 505 R CB 0.786 31.131 30.300 0.076 0.000 1.100 505 R HN 0.486 nan 8.270 nan 0.000 0.547 506 V N 0.485 120.232 119.914 -0.279 0.000 2.323 506 V HA -0.171 3.949 4.120 -0.000 0.000 0.244 506 V C 0.753 176.745 176.094 -0.171 0.000 1.041 506 V CA 1.819 63.914 62.300 -0.342 0.000 1.025 506 V CB -0.217 31.278 31.823 -0.547 0.000 0.656 506 V HN 0.755 nan 8.190 nan 0.000 0.451 507 D N -1.159 119.175 120.400 -0.111 0.000 2.500 507 D HA 0.154 4.794 4.640 -0.000 0.000 0.217 507 D C 0.559 176.850 176.300 -0.016 0.000 1.159 507 D CA 0.083 54.048 54.000 -0.059 0.000 0.828 507 D CB 1.054 41.822 40.800 -0.053 0.000 1.039 507 D HN 0.542 nan 8.370 nan 0.000 0.512 508 E N 1.488 121.686 120.200 -0.004 0.000 2.210 508 E HA 0.195 4.545 4.350 -0.000 0.000 0.266 508 E C -1.113 175.498 176.600 0.018 0.000 0.883 508 E CA -0.647 55.756 56.400 0.006 0.000 0.761 508 E CB 1.711 31.410 29.700 -0.002 0.000 1.156 508 E HN -0.256 nan 8.360 nan 0.000 0.412 509 D N 3.211 123.619 120.400 0.013 0.000 2.313 509 D HA 0.153 4.793 4.640 -0.000 0.000 0.247 509 D C -0.558 175.655 176.300 -0.144 0.000 1.094 509 D CA 0.137 54.135 54.000 -0.003 0.000 0.925 509 D CB 1.230 42.096 40.800 0.111 0.000 1.188 509 D HN 0.398 nan 8.370 nan 0.000 0.430 510 Q N 1.300 120.915 119.800 -0.307 0.000 2.771 510 Q HA 0.257 4.597 4.340 -0.000 0.000 0.247 510 Q C -2.370 173.081 176.000 -0.916 0.000 0.986 510 Q CA -1.592 53.856 55.803 -0.593 0.000 0.713 510 Q CB 2.346 30.765 28.738 -0.532 0.000 1.241 510 Q HN 0.119 nan 8.270 nan 0.000 0.488 511 P HA 0.070 nan 4.420 nan 0.000 0.237 511 P C -0.749 176.203 177.300 -0.580 0.000 1.788 511 P CA -0.106 62.611 63.100 -0.639 0.000 1.061 511 P CB -0.408 31.107 31.700 -0.309 0.000 1.967 512 F N 3.325 123.126 119.950 -0.248 0.000 2.444 512 F HA 0.268 4.795 4.527 -0.000 0.000 0.331 512 F C -1.302 174.410 175.800 -0.148 0.000 1.167 512 F CA -2.402 55.504 58.000 -0.156 0.000 1.262 512 F CB -0.775 38.148 39.000 -0.128 0.000 1.196 512 F HN 0.129 nan 8.300 nan 0.000 0.583 513 P HA 0.290 nan 4.420 nan 0.000 0.276 513 P C 0.154 177.480 177.300 0.043 0.000 1.230 513 P CA 0.677 63.804 63.100 0.046 0.000 0.776 513 P CB 1.361 33.085 31.700 0.040 0.000 0.888 514 A N 3.071 125.906 122.820 0.025 0.000 2.624 514 A HA -0.217 4.103 4.320 -0.000 0.000 0.235 514 A C 0.651 178.251 177.584 0.027 0.000 0.588 514 A CA 1.757 53.812 52.037 0.029 0.000 1.172 514 A CB -2.559 16.456 19.000 0.026 0.000 1.370 514 A HN 0.440 nan 8.150 nan 0.000 0.695 515 V N -1.082 118.844 119.914 0.021 0.000 2.647 515 V HA 0.398 4.518 4.120 -0.000 0.000 0.305 515 V C -2.436 173.661 176.094 0.004 0.000 1.162 515 V CA -0.850 61.461 62.300 0.018 0.000 1.248 515 V CB 0.346 32.175 31.823 0.009 0.000 1.508 515 V HN 0.510 nan 8.190 nan 0.000 0.647 516 P HA 0.204 nan 4.420 nan 0.000 0.269 516 P C -0.561 176.353 177.300 -0.643 0.000 1.215 516 P CA 0.224 62.997 63.100 -0.544 0.000 0.780 516 P CB 0.805 31.673 31.700 -1.386 0.000 0.898 517 K N 2.001 122.101 120.400 -0.500 0.000 2.367 517 K HA 0.288 4.608 4.320 -0.000 0.000 0.263 517 K C -0.611 175.743 176.600 -0.410 0.000 1.000 517 K CA -0.357 55.822 56.287 -0.181 0.000 0.891 517 K CB 0.787 33.448 32.500 0.268 0.000 1.117 517 K HN 0.448 nan 8.250 nan 0.000 0.443 518 W N 1.267 122.355 121.300 -0.354 0.000 2.183 518 W HA 0.136 4.796 4.660 -0.000 0.000 0.348 518 W C 1.217 177.802 176.519 0.110 0.000 1.257 518 W CA -0.651 56.541 57.345 -0.255 0.000 1.324 518 W CB 0.659 29.772 29.460 -0.578 0.000 1.144 518 W HN 0.463 nan 8.180 nan 0.000 0.622 519 S N 2.699 118.581 115.700 0.305 0.000 2.558 519 S HA -0.081 4.389 4.470 -0.000 0.000 0.293 519 S C 1.185 175.951 174.600 0.277 0.000 1.292 519 S CA -0.157 58.161 58.200 0.197 0.000 1.063 519 S CB 0.102 63.357 63.200 0.092 0.000 0.831 519 S HN 0.519 nan 8.310 nan 0.000 0.499 520 I N 2.704 123.398 120.570 0.206 0.000 2.335 520 I HA -0.175 3.995 4.170 -0.000 0.000 0.251 520 I C 2.003 178.166 176.117 0.075 0.000 1.129 520 I CA 1.302 62.721 61.300 0.198 0.000 1.402 520 I CB -0.468 37.594 38.000 0.103 0.000 1.069 520 I HN 0.617 nan 8.210 nan 0.000 0.424 521 K N 1.450 121.800 120.400 -0.083 0.000 2.147 521 K HA -0.152 4.168 4.320 -0.000 0.000 0.205 521 K C 2.221 178.840 176.600 0.032 0.000 1.049 521 K CA 1.377 57.555 56.287 -0.181 0.000 0.936 521 K CB -0.261 32.019 32.500 -0.365 0.000 0.722 521 K HN 0.404 nan 8.250 nan 0.000 0.446 522 K N 0.484 120.923 120.400 0.064 0.000 2.062 522 K HA -0.156 4.164 4.320 -0.000 0.000 0.205 522 K C 1.897 178.518 176.600 0.035 0.000 1.051 522 K CA 0.790 57.085 56.287 0.014 0.000 0.941 522 K CB -0.047 32.429 32.500 -0.041 0.000 0.719 522 K HN 0.219 nan 8.250 nan 0.000 0.440 523 W N 2.084 123.385 121.300 0.002 0.000 2.302 523 W HA -0.268 4.392 4.660 -0.000 0.000 0.320 523 W C 1.720 178.231 176.519 -0.014 0.000 1.241 523 W CA 1.374 58.733 57.345 0.024 0.000 1.264 523 W CB -0.794 28.754 29.460 0.147 0.000 1.154 523 W HN 0.107 nan 8.180 nan 0.000 0.483 524 L N 0.644 122.048 121.223 0.301 0.000 2.081 524 L HA -0.270 4.070 4.340 -0.000 0.000 0.212 524 L C 2.381 179.325 176.870 0.124 0.000 1.080 524 L CA 2.145 57.095 54.840 0.183 0.000 0.754 524 L CB -1.165 40.991 42.059 0.162 0.000 0.893 524 L HN 0.060 nan 8.230 nan 0.000 0.433 525 S N -1.423 114.325 115.700 0.081 0.000 2.556 525 S HA 0.183 4.653 4.470 -0.000 0.000 0.216 525 S C 0.739 175.320 174.600 -0.031 0.000 0.970 525 S CA -0.518 57.698 58.200 0.026 0.000 0.912 525 S CB -0.285 62.929 63.200 0.023 0.000 0.790 525 S HN 0.179 nan 8.310 nan 0.000 0.504 526 L N 2.177 123.361 121.223 -0.065 0.000 2.506 526 L HA 0.207 4.547 4.340 -0.000 0.000 0.281 526 L C -2.181 174.649 176.870 -0.066 0.000 1.228 526 L CA -1.546 53.209 54.840 -0.140 0.000 0.850 526 L CB -0.445 41.483 42.059 -0.219 0.000 1.110 526 L HN 0.070 nan 8.230 nan 0.000 0.496 527 P HA -0.044 nan 4.420 nan 0.000 0.258 527 P C 0.769 178.060 177.300 -0.014 0.000 1.172 527 P CA 1.062 64.137 63.100 -0.041 0.000 0.762 527 P CB 0.382 32.052 31.700 -0.049 0.000 0.764 528 G N 1.651 110.451 108.800 -0.001 0.000 2.184 528 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.264 528 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.264 528 G C 0.282 175.199 174.900 0.029 0.000 0.975 528 G CA -0.203 44.906 45.100 0.014 0.000 0.642 528 G HN 0.538 nan 8.290 nan 0.000 0.536 529 E N 0.510 120.733 120.200 0.038 0.000 2.331 529 E HA 0.549 4.899 4.350 -0.000 0.000 0.272 529 E C 1.378 178.009 176.600 0.051 0.000 1.036 529 E CA 0.664 57.102 56.400 0.063 0.000 0.864 529 E CB 1.154 30.916 29.700 0.104 0.000 1.035 529 E HN 0.588 nan 8.360 nan 0.000 0.408 530 T N -0.125 114.458 114.554 0.048 0.000 3.186 530 T HA 0.250 4.600 4.350 -0.000 0.000 0.292 530 T C 0.646 175.365 174.700 0.031 0.000 0.915 530 T CA -0.403 61.719 62.100 0.037 0.000 0.902 530 T CB 0.324 69.211 68.868 0.032 0.000 1.192 530 T HN 0.197 nan 8.240 nan 0.000 0.563 531 R N 2.207 122.726 120.500 0.031 0.000 2.801 531 R HA 0.436 4.776 4.340 -0.000 0.000 0.273 531 R C -2.494 173.803 176.300 -0.006 0.000 1.080 531 R CA -1.393 54.714 56.100 0.013 0.000 1.197 531 R CB 0.008 30.310 30.300 0.005 0.000 1.109 531 R HN 0.278 nan 8.270 nan 0.000 0.535 532 P HA 0.145 nan 4.420 nan 0.000 0.281 532 P C -1.285 175.962 177.300 -0.089 0.000 1.264 532 P CA -0.509 62.564 63.100 -0.046 0.000 0.824 532 P CB 0.643 32.313 31.700 -0.050 0.000 1.092 533 L N 1.789 122.943 121.223 -0.115 0.000 2.298 533 L HA 0.599 4.939 4.340 -0.000 0.000 0.284 533 L C -1.237 175.492 176.870 -0.233 0.000 1.013 533 L CA -0.082 54.652 54.840 -0.177 0.000 0.824 533 L CB 0.225 42.146 42.059 -0.230 0.000 1.221 533 L HN 0.166 nan 8.230 nan 0.000 0.418 534 I N 5.816 126.249 120.570 -0.227 0.000 2.468 534 I HA 0.305 4.475 4.170 -0.000 0.000 0.284 534 I C -0.726 175.277 176.117 -0.189 0.000 1.038 534 I CA -0.551 60.600 61.300 -0.248 0.000 1.083 534 I CB 1.835 39.734 38.000 -0.170 0.000 1.223 534 I HN 0.530 nan 8.210 nan 0.000 0.443 535 L N 5.649 126.724 121.223 -0.247 0.000 2.477 535 L HA 0.043 4.383 4.340 -0.000 0.000 0.272 535 L C 1.484 178.383 176.870 0.048 0.000 1.157 535 L CA -0.212 54.543 54.840 -0.141 0.000 0.889 535 L CB 0.612 42.559 42.059 -0.187 0.000 1.158 535 L HN 0.883 nan 8.230 nan 0.000 0.473 536 C N 0.402 119.722 119.300 0.033 0.000 2.448 536 C HA 0.129 4.589 4.460 -0.000 0.000 0.280 536 C C 0.679 175.771 174.990 0.170 0.000 1.398 536 C CA -0.278 58.810 59.018 0.117 0.000 1.774 536 C CB -1.052 26.665 27.740 -0.038 0.000 1.888 536 C HN 0.821 nan 8.230 nan 0.000 0.519 537 E N -0.392 119.845 120.200 0.061 0.000 2.343 537 E HA 0.520 4.870 4.350 -0.000 0.000 0.288 537 E C -1.465 175.137 176.600 0.003 0.000 0.907 537 E CA -0.316 56.107 56.400 0.038 0.000 0.792 537 E CB 1.887 31.350 29.700 -0.395 0.000 1.275 537 E HN 0.563 nan 8.360 nan 0.000 0.402 538 Y N -0.159 120.227 120.300 0.142 0.000 2.638 538 Y HA 0.671 5.221 4.550 -0.000 0.000 0.335 538 Y C -0.703 175.424 175.900 0.378 0.000 1.155 538 Y CA -1.228 57.006 58.100 0.225 0.000 1.046 538 Y CB 0.615 39.011 38.460 -0.106 0.000 1.303 538 Y HN 0.610 nan 8.280 nan 0.000 0.460 539 A N 2.306 125.180 122.820 0.089 0.000 2.108 539 A HA -0.217 4.103 4.320 -0.000 0.000 0.270 539 A C -0.462 177.214 177.584 0.154 0.000 1.390 539 A CA 0.918 52.963 52.037 0.015 0.000 0.729 539 A CB -2.477 16.392 19.000 -0.217 0.000 1.185 539 A HN 1.204 nan 8.150 nan 0.000 0.318 540 H N 1.429 120.588 119.070 0.147 0.000 3.145 540 H HA 0.309 4.865 4.556 -0.000 0.000 0.263 540 H C 1.181 176.533 175.328 0.039 0.000 1.057 540 H CA 0.877 57.026 56.048 0.169 0.000 1.477 540 H CB 0.509 30.242 29.762 -0.049 0.000 1.529 540 H HN 0.834 nan 8.280 nan 0.000 0.508 541 A N 6.436 129.216 122.820 -0.067 0.000 2.416 541 A HA 0.038 4.358 4.320 -0.000 0.000 0.252 541 A C 1.086 178.587 177.584 -0.138 0.000 1.353 541 A CA -0.334 51.626 52.037 -0.129 0.000 0.996 541 A CB -0.610 18.267 19.000 -0.205 0.000 0.961 541 A HN 0.773 nan 8.150 nan 0.000 0.523 542 M N 0.967 120.530 119.600 -0.062 0.000 2.268 542 M HA 0.350 4.830 4.480 -0.000 0.000 0.349 542 M C 1.326 177.500 176.300 -0.211 0.000 1.485 542 M CA 1.297 56.535 55.300 -0.104 0.000 1.094 542 M CB -0.013 32.590 32.600 0.005 0.000 1.843 542 M HN 0.756 nan 8.290 nan 0.000 0.460 543 G N 4.204 112.845 108.800 -0.264 0.000 2.611 543 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.301 543 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.301 543 G C -0.038 174.435 174.900 -0.712 0.000 1.233 543 G CA 0.224 45.012 45.100 -0.519 0.000 0.993 543 G HN 0.805 nan 8.290 nan 0.000 0.553 544 N N 1.262 119.411 118.700 -0.918 0.000 2.482 544 N HA 0.540 5.280 4.740 -0.000 0.000 0.242 544 N C -0.046 175.213 175.510 -0.419 0.000 1.100 544 N CA 0.943 53.543 53.050 -0.749 0.000 0.946 544 N CB 0.713 38.738 38.487 -0.770 0.000 1.227 544 N HN 0.706 nan 8.380 nan 0.000 0.508 545 S N 1.959 117.489 115.700 -0.282 0.000 3.144 545 S HA 0.577 5.047 4.470 -0.000 0.000 0.325 545 S C -0.168 174.344 174.600 -0.146 0.000 1.161 545 S CA -0.386 57.699 58.200 -0.191 0.000 0.920 545 S CB 0.101 63.219 63.200 -0.137 0.000 1.340 545 S HN 0.423 nan 8.310 nan 0.000 0.681 546 L N 0.266 121.425 121.223 -0.107 0.000 4.351 546 L HA -0.077 4.263 4.340 -0.000 0.000 0.410 546 L C 0.436 177.304 176.870 -0.004 0.000 1.150 546 L CA 0.763 55.542 54.840 -0.102 0.000 0.961 546 L CB -1.687 40.214 42.059 -0.263 0.000 2.130 546 L HN 0.667 nan 8.230 nan 0.000 0.787 547 G N -0.690 108.097 108.800 -0.023 0.000 2.361 547 G HA2 0.484 4.444 3.960 -0.000 0.000 0.260 547 G HA3 0.484 4.444 3.960 -0.000 0.000 0.260 547 G C 1.180 176.105 174.900 0.042 0.000 1.261 547 G CA 0.207 45.282 45.100 -0.041 0.000 0.897 547 G HN 1.355 nan 8.290 nan 0.000 0.499 548 G N 1.685 110.504 108.800 0.030 0.000 2.141 548 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.231 548 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.231 548 G C 0.888 175.962 174.900 0.290 0.000 0.984 548 G CA 0.611 45.775 45.100 0.107 0.000 0.660 548 G HN 0.741 nan 8.290 nan 0.000 0.525 549 F N 1.587 121.632 119.950 0.158 0.000 2.171 549 F HA 0.219 4.746 4.527 -0.000 0.000 0.300 549 F C 2.572 178.554 175.800 0.302 0.000 1.090 549 F CA 2.269 60.427 58.000 0.264 0.000 1.293 549 F CB -0.289 38.798 39.000 0.145 0.000 1.013 549 F HN 0.330 nan 8.300 nan 0.000 0.486 550 A N -0.442 122.518 122.820 0.234 0.000 2.015 550 A HA -0.165 4.155 4.320 -0.000 0.000 0.219 550 A C 2.298 179.908 177.584 0.045 0.000 1.163 550 A CA 1.329 53.439 52.037 0.121 0.000 0.646 550 A CB -0.658 18.419 19.000 0.129 0.000 0.806 550 A HN 0.374 nan 8.150 nan 0.000 0.448 551 K N -1.404 119.014 120.400 0.032 0.000 2.063 551 K HA -0.189 4.131 4.320 -0.000 0.000 0.208 551 K C 1.738 178.176 176.600 -0.271 0.000 1.048 551 K CA 1.861 58.102 56.287 -0.076 0.000 0.928 551 K CB -0.314 32.152 32.500 -0.058 0.000 0.713 551 K HN 0.616 nan 8.250 nan 0.000 0.442 552 Y N -0.685 119.405 120.300 -0.350 0.000 2.089 552 Y HA -0.261 4.289 4.550 -0.000 0.000 0.282 552 Y C 2.090 177.182 175.900 -1.348 0.000 1.139 552 Y CA 1.631 59.221 58.100 -0.850 0.000 1.123 552 Y CB -0.587 37.382 38.460 -0.818 0.000 0.980 552 Y HN 0.180 nan 8.280 nan 0.000 0.493 553 W N 0.446 121.308 121.300 -0.731 0.000 2.341 553 W HA -0.229 4.431 4.660 -0.000 0.000 0.283 553 W C 2.567 178.887 176.519 -0.333 0.000 1.215 553 W CA 1.806 58.819 57.345 -0.554 0.000 1.211 553 W CB -0.595 28.638 29.460 -0.378 0.000 1.131 553 W HN 0.205 nan 8.180 nan 0.000 0.552 554 Q N 0.108 119.810 119.800 -0.164 0.000 2.123 554 Q HA -0.113 4.227 4.340 -0.000 0.000 0.199 554 Q C 2.234 178.176 176.000 -0.096 0.000 0.966 554 Q CA 1.599 57.356 55.803 -0.077 0.000 0.845 554 Q CB -0.227 28.486 28.738 -0.041 0.000 0.907 554 Q HN 0.233 nan 8.270 nan 0.000 0.439 555 A N 0.324 122.999 122.820 -0.243 0.000 1.897 555 A HA -0.096 4.224 4.320 -0.000 0.000 0.215 555 A C 1.657 179.223 177.584 -0.030 0.000 1.181 555 A CA 0.792 52.718 52.037 -0.186 0.000 0.620 555 A CB -0.679 18.098 19.000 -0.372 0.000 0.821 555 A HN 0.397 nan 8.150 nan 0.000 0.443 556 F N 0.507 120.307 119.950 -0.251 0.000 2.091 556 F HA -0.160 4.367 4.527 -0.000 0.000 0.299 556 F C 2.479 178.202 175.800 -0.127 0.000 1.103 556 F CA 1.349 59.175 58.000 -0.290 0.000 1.228 556 F CB -1.009 37.629 39.000 -0.602 0.000 0.984 556 F HN 0.172 nan 8.300 nan 0.000 0.477 557 R N -0.252 120.320 120.500 0.119 0.000 2.189 557 R HA -0.142 4.198 4.340 -0.000 0.000 0.223 557 R C 2.076 178.427 176.300 0.086 0.000 1.092 557 R CA 0.975 57.130 56.100 0.092 0.000 0.989 557 R CB -0.377 29.970 30.300 0.078 0.000 0.876 557 R HN 0.447 nan 8.270 nan 0.000 0.457 558 Q N -0.601 119.283 119.800 0.140 0.000 2.373 558 Q HA 0.024 4.364 4.340 -0.000 0.000 0.210 558 Q C -0.509 175.557 176.000 0.110 0.000 0.913 558 Q CA 0.456 56.342 55.803 0.139 0.000 0.911 558 Q CB 0.627 29.488 28.738 0.204 0.000 1.040 558 Q HN 0.167 nan 8.270 nan 0.000 0.521 559 Y N 0.268 120.564 120.300 -0.007 0.000 2.369 559 Y HA 0.248 4.798 4.550 -0.000 0.000 0.337 559 Y C -1.749 174.139 175.900 -0.020 0.000 0.961 559 Y CA -2.822 55.273 58.100 -0.009 0.000 1.186 559 Y CB 1.323 39.783 38.460 -0.000 0.000 1.139 559 Y HN 0.092 nan 8.280 nan 0.000 0.494 560 P HA -0.220 nan 4.420 nan 0.000 0.215 560 P C 1.325 178.637 177.300 0.020 0.000 1.163 560 P CA 1.992 65.099 63.100 0.012 0.000 0.894 560 P CB 0.346 32.035 31.700 -0.018 0.000 0.791 561 R N -1.056 119.475 120.500 0.050 0.000 2.189 561 R HA 0.022 4.362 4.340 -0.000 0.000 0.223 561 R C 0.699 176.993 176.300 -0.010 0.000 1.092 561 R CA 0.357 56.471 56.100 0.024 0.000 0.989 561 R CB -0.752 29.571 30.300 0.038 0.000 0.876 561 R HN 0.276 nan 8.270 nan 0.000 0.457 562 L N 2.355 123.599 121.223 0.035 0.000 2.456 562 L HA 0.036 4.376 4.340 -0.000 0.000 0.277 562 L C 0.780 177.523 176.870 -0.211 0.000 1.124 562 L CA 0.382 55.184 54.840 -0.062 0.000 0.880 562 L CB 0.689 42.788 42.059 0.067 0.000 1.192 562 L HN 0.058 nan 8.230 nan 0.000 0.463 563 Q N 3.059 122.648 119.800 -0.352 0.000 2.175 563 Q HA 0.378 4.718 4.340 -0.000 0.000 0.225 563 Q C 0.750 176.342 176.000 -0.680 0.000 0.837 563 Q CA 0.087 55.645 55.803 -0.409 0.000 1.032 563 Q CB 1.210 29.802 28.738 -0.243 0.000 1.137 563 Q HN 0.967 nan 8.270 nan 0.000 0.483 564 G N -0.274 107.738 108.800 -1.313 0.000 2.337 564 G HA2 0.215 4.175 3.960 -0.000 0.000 0.197 564 G HA3 0.215 4.175 3.960 -0.000 0.000 0.197 564 G C -0.434 173.669 174.900 -1.329 0.000 1.238 564 G CA -0.645 43.416 45.100 -1.731 0.000 1.119 564 G HN 0.587 nan 8.290 nan 0.000 0.514 565 G N -2.125 106.153 108.800 -0.869 0.000 2.322 565 G HA2 0.625 4.585 3.960 -0.000 0.000 0.295 565 G HA3 0.625 4.585 3.960 -0.000 0.000 0.295 565 G C -1.753 172.991 174.900 -0.260 0.000 1.369 565 G CA -0.284 44.491 45.100 -0.542 0.000 0.821 565 G HN 1.158 nan 8.290 nan 0.000 0.536 566 F N 0.323 120.450 119.950 0.295 0.000 2.444 566 F HA 0.580 5.107 4.527 -0.000 0.000 0.342 566 F C 0.754 176.913 175.800 0.598 0.000 1.121 566 F CA -0.836 57.426 58.000 0.436 0.000 0.997 566 F CB 2.150 41.307 39.000 0.262 0.000 1.130 566 F HN 0.254 nan 8.300 nan 0.000 0.454 567 V N 3.159 123.468 119.914 0.658 0.000 2.686 567 V HA -0.031 4.089 4.120 -0.000 0.000 0.295 567 V C -0.365 175.947 176.094 0.363 0.000 1.055 567 V CA -0.611 61.886 62.300 0.328 0.000 1.050 567 V CB 1.105 33.051 31.823 0.205 0.000 0.984 567 V HN 0.784 nan 8.190 nan 0.000 0.482 568 W N 6.418 127.814 121.300 0.161 0.000 2.294 568 W HA 0.480 5.140 4.660 -0.000 0.000 0.314 568 W C -0.962 175.535 176.519 -0.037 0.000 1.044 568 W CA -0.631 56.796 57.345 0.136 0.000 1.284 568 W CB 1.427 31.069 29.460 0.304 0.000 1.231 568 W HN 0.915 nan 8.180 nan 0.000 0.419 569 D N 3.004 123.062 120.400 -0.571 0.000 2.867 569 D HA 0.149 4.789 4.640 -0.000 0.000 0.308 569 D C 0.559 176.643 176.300 -0.361 0.000 1.202 569 D CA -0.550 53.046 54.000 -0.674 0.000 1.035 569 D CB 0.259 40.159 40.800 -1.501 0.000 1.427 569 D HN 0.404 nan 8.370 nan 0.000 0.570 570 W N 0.501 121.503 121.300 -0.497 0.000 2.452 570 W HA 0.170 4.830 4.660 -0.000 0.000 0.313 570 W C -0.302 175.989 176.519 -0.379 0.000 1.176 570 W CA 1.021 58.123 57.345 -0.405 0.000 1.350 570 W CB 0.271 29.527 29.460 -0.341 0.000 1.148 570 W HN 0.226 nan 8.180 nan 0.000 0.498 571 V N 1.191 120.891 119.914 -0.358 0.000 2.680 571 V HA 0.307 4.427 4.120 -0.000 0.000 0.309 571 V C -0.517 175.367 176.094 -0.349 0.000 1.052 571 V CA -1.096 60.956 62.300 -0.414 0.000 0.908 571 V CB 1.395 33.098 31.823 -0.200 0.000 1.001 571 V HN -0.089 nan 8.190 nan 0.000 0.431 572 D N 2.705 122.900 120.400 -0.342 0.000 2.425 572 D HA 0.070 4.710 4.640 -0.000 0.000 0.247 572 D C 0.356 176.510 176.300 -0.244 0.000 1.147 572 D CA 0.428 54.268 54.000 -0.266 0.000 0.879 572 D CB 1.309 42.017 40.800 -0.154 0.000 1.179 572 D HN 0.628 nan 8.370 nan 0.000 0.456 573 Q N 1.168 120.753 119.800 -0.359 0.000 2.639 573 Q HA 0.060 4.400 4.340 -0.000 0.000 0.301 573 Q C -0.111 175.836 176.000 -0.088 0.000 1.029 573 Q CA -0.138 55.288 55.803 -0.627 0.000 0.936 573 Q CB 0.013 28.402 28.738 -0.580 0.000 1.354 573 Q HN 0.349 nan 8.270 nan 0.000 0.417 574 S N -0.595 115.168 115.700 0.104 0.000 2.541 574 S HA 0.577 5.046 4.470 -0.000 0.000 0.283 574 S C 0.035 174.797 174.600 0.270 0.000 1.196 574 S CA -0.803 57.562 58.200 0.276 0.000 1.062 574 S CB 1.677 65.004 63.200 0.212 0.000 1.009 574 S HN 0.257 nan 8.310 nan 0.000 0.502 575 L N 1.647 122.954 121.223 0.140 0.000 2.397 575 L HA 0.610 4.950 4.340 -0.000 0.000 0.266 575 L C -0.085 176.684 176.870 -0.167 0.000 1.040 575 L CA -1.203 53.589 54.840 -0.079 0.000 0.800 575 L CB 0.773 42.659 42.059 -0.287 0.000 1.324 575 L HN 0.586 nan 8.230 nan 0.000 0.469 576 I N 0.554 120.968 120.570 -0.259 0.000 2.460 576 I HA 0.368 4.538 4.170 -0.000 0.000 0.298 576 I C -0.245 175.487 176.117 -0.642 0.000 0.989 576 I CA -0.594 60.431 61.300 -0.458 0.000 1.173 576 I CB 1.755 39.497 38.000 -0.429 0.000 1.338 576 I HN 0.533 nan 8.210 nan 0.000 0.456 577 K N 4.233 123.962 120.400 -1.119 0.000 2.372 577 K HA 0.653 4.973 4.320 -0.000 0.000 0.251 577 K C -1.799 174.031 176.600 -1.284 0.000 1.055 577 K CA -0.853 54.687 56.287 -1.245 0.000 0.879 577 K CB 2.621 33.981 32.500 -1.900 0.000 1.384 577 K HN 0.292 nan 8.250 nan 0.000 0.465 578 Y N 0.258 120.305 120.300 -0.423 0.000 2.534 578 Y HA 0.151 4.701 4.550 -0.000 0.000 0.345 578 Y C -0.457 175.539 175.900 0.159 0.000 1.031 578 Y CA -1.085 56.974 58.100 -0.067 0.000 1.022 578 Y CB 1.602 40.020 38.460 -0.070 0.000 1.292 578 Y HN 0.662 nan 8.280 nan 0.000 0.459 579 D N -0.619 120.018 120.400 0.395 0.000 2.478 579 D HA 0.209 4.849 4.640 -0.000 0.000 0.263 579 D C 0.427 176.820 176.300 0.155 0.000 1.153 579 D CA -0.626 53.535 54.000 0.268 0.000 1.038 579 D CB 0.631 41.549 40.800 0.197 0.000 1.120 579 D HN 0.619 nan 8.370 nan 0.000 0.564 580 E N -0.878 119.379 120.200 0.095 0.000 2.301 580 E HA -0.227 4.123 4.350 -0.000 0.000 0.202 580 E C 0.884 177.510 176.600 0.043 0.000 1.017 580 E CA 1.377 57.807 56.400 0.051 0.000 0.831 580 E CB -0.163 29.553 29.700 0.027 0.000 0.742 580 E HN 0.369 nan 8.360 nan 0.000 0.491 581 N N -1.250 117.487 118.700 0.061 0.000 2.254 581 N HA 0.062 4.802 4.740 -0.000 0.000 0.190 581 N C 0.732 176.278 175.510 0.060 0.000 1.107 581 N CA 0.817 53.896 53.050 0.049 0.000 0.869 581 N CB 1.619 40.134 38.487 0.046 0.000 0.983 581 N HN 0.236 nan 8.380 nan 0.000 0.487 582 G N 1.515 110.378 108.800 0.105 0.000 2.141 582 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.195 582 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.195 582 G C -0.540 174.527 174.900 0.279 0.000 1.012 582 G CA -0.603 44.567 45.100 0.117 0.000 0.696 582 G HN 0.150 nan 8.290 nan 0.000 0.508 583 N N 1.813 120.690 118.700 0.295 0.000 2.439 583 N HA 0.426 5.166 4.740 -0.000 0.000 0.249 583 N C -2.519 173.144 175.510 0.255 0.000 1.003 583 N CA -1.431 51.776 53.050 0.262 0.000 0.942 583 N CB 1.745 40.339 38.487 0.177 0.000 1.115 583 N HN 0.110 nan 8.380 nan 0.000 0.505 584 P HA 0.061 nan 4.420 nan 0.000 0.266 584 P C -0.428 176.800 177.300 -0.120 0.000 1.215 584 P CA 0.093 63.019 63.100 -0.291 0.000 0.763 584 P CB 0.051 31.649 31.700 -0.169 0.000 0.806 585 W N 0.949 121.974 121.300 -0.458 0.000 3.256 585 W HA 0.363 5.023 4.660 -0.000 0.000 0.324 585 W C -1.382 174.933 176.519 -0.340 0.000 1.196 585 W CA -1.094 56.002 57.345 -0.415 0.000 1.206 585 W CB 0.450 29.506 29.460 -0.673 0.000 1.385 585 W HN 0.075 nan 8.180 nan 0.000 0.522 586 S N 2.499 118.232 115.700 0.055 0.000 2.429 586 S HA 0.423 4.893 4.470 -0.000 0.000 0.292 586 S C 0.533 175.269 174.600 0.227 0.000 1.183 586 S CA 0.007 58.247 58.200 0.066 0.000 1.088 586 S CB 0.239 63.542 63.200 0.173 0.000 1.018 586 S HN 0.586 nan 8.310 nan 0.000 0.511 587 A N 3.160 125.938 122.820 -0.070 0.000 2.252 587 A HA 0.859 5.179 4.320 -0.000 0.000 0.305 587 A C -0.321 177.520 177.584 0.429 0.000 1.097 587 A CA -0.564 51.554 52.037 0.136 0.000 0.849 587 A CB 0.435 19.292 19.000 -0.238 0.000 1.142 587 A HN 0.852 nan 8.150 nan 0.000 0.499 588 Y N -2.113 118.497 120.300 0.517 0.000 3.071 588 Y HA 0.708 5.258 4.550 -0.000 0.000 0.301 588 Y C 0.601 176.780 175.900 0.465 0.000 1.657 588 Y CA -1.271 57.084 58.100 0.425 0.000 1.078 588 Y CB -0.147 38.387 38.460 0.123 0.000 1.465 588 Y HN 1.049 nan 8.280 nan 0.000 0.496 589 G N 0.028 109.176 108.800 0.580 0.000 2.460 589 G HA2 0.325 4.285 3.960 -0.000 0.000 0.230 589 G HA3 0.325 4.285 3.960 -0.000 0.000 0.230 589 G C 1.133 176.348 174.900 0.525 0.000 1.248 589 G CA 0.657 46.010 45.100 0.422 0.000 0.863 589 G HN 2.048 nan 8.290 nan 0.000 0.549 590 G N 1.486 110.549 108.800 0.439 0.000 2.238 590 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.270 590 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.270 590 G C 0.883 175.995 174.900 0.353 0.000 0.977 590 G CA 0.930 46.248 45.100 0.364 0.000 0.639 590 G HN 0.716 nan 8.290 nan 0.000 0.544 591 D N -0.619 120.029 120.400 0.414 0.000 2.358 591 D HA 0.228 4.868 4.640 -0.000 0.000 0.241 591 D C 1.010 177.301 176.300 -0.014 0.000 1.094 591 D CA 0.420 54.547 54.000 0.210 0.000 0.907 591 D CB -0.208 40.686 40.800 0.157 0.000 0.893 591 D HN 0.481 nan 8.370 nan 0.000 0.528 592 F N -1.541 118.514 119.950 0.176 0.000 2.899 592 F HA 0.276 4.803 4.527 -0.000 0.000 0.337 592 F C 1.727 177.603 175.800 0.127 0.000 1.129 592 F CA -0.136 57.934 58.000 0.118 0.000 1.128 592 F CB 0.985 40.050 39.000 0.108 0.000 1.154 592 F HN -0.021 nan 8.300 nan 0.000 0.531 593 G N 0.467 109.438 108.800 0.285 0.000 2.195 593 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.246 593 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.246 593 G C -0.090 174.950 174.900 0.234 0.000 0.984 593 G CA -0.011 45.217 45.100 0.213 0.000 0.633 593 G HN 0.411 nan 8.290 nan 0.000 0.525 594 D N 1.334 121.921 120.400 0.311 0.000 2.502 594 D HA 0.325 4.965 4.640 -0.000 0.000 0.249 594 D C -0.212 176.216 176.300 0.212 0.000 1.188 594 D CA 1.041 55.209 54.000 0.280 0.000 0.890 594 D CB 0.607 41.623 40.800 0.359 0.000 1.140 594 D HN 0.171 nan 8.370 nan 0.000 0.505 595 T N 3.437 118.087 114.554 0.160 0.000 2.921 595 T HA 0.479 4.829 4.350 -0.000 0.000 0.297 595 T C -2.187 172.558 174.700 0.076 0.000 1.013 595 T CA -1.015 61.153 62.100 0.113 0.000 0.990 595 T CB 1.965 70.895 68.868 0.103 0.000 1.023 595 T HN 0.414 nan 8.240 nan 0.000 0.447 596 P HA 0.559 nan 4.420 nan 0.000 0.280 596 P C -1.209 176.106 177.300 0.025 0.000 1.272 596 P CA -0.774 62.345 63.100 0.032 0.000 0.819 596 P CB 0.914 32.609 31.700 -0.008 0.000 1.122 597 N N -1.036 117.692 118.700 0.047 0.000 2.357 597 N HA 0.172 4.912 4.740 -0.000 0.000 0.284 597 N C -1.088 174.463 175.510 0.069 0.000 1.236 597 N CA -0.542 52.548 53.050 0.066 0.000 0.774 597 N CB 1.707 40.312 38.487 0.195 0.000 1.534 597 N HN 0.255 nan 8.380 nan 0.000 0.478 598 D N 0.306 120.772 120.400 0.110 0.000 2.615 598 D HA 0.098 4.738 4.640 -0.000 0.000 0.236 598 D C 0.667 177.169 176.300 0.337 0.000 1.233 598 D CA -0.157 53.941 54.000 0.164 0.000 0.829 598 D CB 0.938 41.718 40.800 -0.034 0.000 1.024 598 D HN 0.638 nan 8.370 nan 0.000 0.490 599 R N 0.409 121.069 120.500 0.266 0.000 3.731 599 R HA -0.381 3.959 4.340 -0.000 0.000 0.488 599 R C 0.882 177.082 176.300 -0.166 0.000 0.241 599 R CA 1.659 57.854 56.100 0.160 0.000 1.531 599 R CB -1.419 28.919 30.300 0.063 0.000 0.923 599 R HN 0.080 nan 8.270 nan 0.000 0.596 600 Q N 0.597 120.040 119.800 -0.595 0.000 2.482 600 Q HA 0.209 4.549 4.340 -0.000 0.000 0.209 600 Q C 1.546 177.217 176.000 -0.548 0.000 0.961 600 Q CA 1.080 56.368 55.803 -0.858 0.000 0.945 600 Q CB -0.050 27.983 28.738 -1.174 0.000 1.012 600 Q HN 0.438 nan 8.270 nan 0.000 0.515 601 F N 0.691 120.473 119.950 -0.281 0.000 2.449 601 F HA -0.166 4.361 4.527 -0.000 0.000 0.299 601 F C 1.713 177.401 175.800 -0.188 0.000 1.092 601 F CA 0.556 58.486 58.000 -0.117 0.000 1.446 601 F CB -0.279 38.734 39.000 0.023 0.000 1.084 601 F HN 0.359 nan 8.300 nan 0.000 0.567 602 C N -1.488 117.505 119.300 -0.511 0.000 2.522 602 C HA 0.179 4.639 4.460 -0.000 0.000 0.271 602 C C 1.051 175.814 174.990 -0.379 0.000 1.425 602 C CA -0.453 58.131 59.018 -0.724 0.000 1.751 602 C CB -1.797 25.020 27.740 -1.537 0.000 1.775 602 C HN 0.203 nan 8.230 nan 0.000 0.557 603 M N 2.952 122.374 119.600 -0.296 0.000 2.131 603 M HA 0.336 4.816 4.480 -0.000 0.000 0.345 603 M C -0.352 175.822 176.300 -0.209 0.000 1.060 603 M CA 0.154 55.312 55.300 -0.236 0.000 1.011 603 M CB 0.419 32.910 32.600 -0.181 0.000 1.328 603 M HN 0.173 nan 8.290 nan 0.000 0.396 604 N N 1.121 119.681 118.700 -0.233 0.000 2.194 604 N HA 0.161 4.901 4.740 -0.000 0.000 0.231 604 N C 0.525 175.800 175.510 -0.391 0.000 1.247 604 N CA -0.094 52.797 53.050 -0.265 0.000 0.884 604 N CB 0.988 39.346 38.487 -0.216 0.000 1.146 604 N HN 0.690 nan 8.380 nan 0.000 0.516 605 G N 0.048 108.565 108.800 -0.471 0.000 2.684 605 G HA2 0.337 4.297 3.960 -0.000 0.000 0.255 605 G HA3 0.337 4.297 3.960 -0.000 0.000 0.255 605 G C 0.677 175.094 174.900 -0.805 0.000 1.219 605 G CA -0.355 44.361 45.100 -0.639 0.000 0.901 605 G HN 0.189 nan 8.290 nan 0.000 0.548 606 L N -0.421 120.319 121.223 -0.805 0.000 2.640 606 L HA 0.272 4.612 4.340 -0.000 0.000 0.230 606 L C 0.209 176.504 176.870 -0.959 0.000 1.123 606 L CA -0.036 54.379 54.840 -0.707 0.000 0.900 606 L CB 0.319 42.117 42.059 -0.436 0.000 1.146 606 L HN 0.396 nan 8.230 nan 0.000 0.484 607 V N -5.353 113.835 119.914 -1.209 0.000 3.012 607 V HA 0.488 4.608 4.120 -0.000 0.000 0.307 607 V C -0.508 175.132 176.094 -0.757 0.000 1.166 607 V CA -1.113 60.627 62.300 -0.934 0.000 0.974 607 V CB 1.553 32.876 31.823 -0.835 0.000 1.040 607 V HN -0.120 nan 8.190 nan 0.000 0.428 608 F N 2.355 122.173 119.950 -0.220 0.000 2.553 608 F HA 0.538 5.065 4.527 -0.000 0.000 0.356 608 F C 1.862 177.574 175.800 -0.148 0.000 1.142 608 F CA 0.690 58.651 58.000 -0.064 0.000 1.322 608 F CB 1.128 40.123 39.000 -0.008 0.000 1.126 608 F HN 0.869 nan 8.300 nan 0.000 0.599 609 A N 1.495 124.377 122.820 0.104 0.000 2.298 609 A HA -0.209 4.111 4.320 -0.000 0.000 0.215 609 A C 1.454 179.014 177.584 -0.040 0.000 1.193 609 A CA 1.792 53.845 52.037 0.027 0.000 0.697 609 A CB -1.024 18.023 19.000 0.080 0.000 0.774 609 A HN 0.761 nan 8.150 nan 0.000 0.492 610 D N -3.730 116.671 120.400 0.002 0.000 2.431 610 D HA 0.216 4.856 4.640 -0.000 0.000 0.213 610 D C 0.654 176.947 176.300 -0.013 0.000 1.130 610 D CA -0.274 53.701 54.000 -0.042 0.000 0.834 610 D CB 0.042 40.812 40.800 -0.049 0.000 0.985 610 D HN 0.091 nan 8.370 nan 0.000 0.504 611 R N -0.787 119.703 120.500 -0.015 0.000 3.804 611 R HA -0.116 4.224 4.340 -0.000 0.000 0.459 611 R C -0.234 176.067 176.300 0.001 0.000 1.009 611 R CA 1.212 57.296 56.100 -0.027 0.000 1.210 611 R CB -3.293 27.030 30.300 0.039 0.000 1.860 611 R HN 0.512 nan 8.270 nan 0.000 0.526 612 T N -1.079 113.513 114.554 0.063 0.000 2.771 612 T HA 0.636 4.986 4.350 -0.000 0.000 0.291 612 T C -2.349 172.501 174.700 0.251 0.000 0.954 612 T CA -1.985 60.175 62.100 0.101 0.000 1.045 612 T CB 1.914 70.794 68.868 0.021 0.000 0.917 612 T HN -0.139 nan 8.240 nan 0.000 0.484 613 P HA 0.202 nan 4.420 nan 0.000 0.271 613 P C -0.186 177.241 177.300 0.210 0.000 1.216 613 P CA -0.196 62.952 63.100 0.079 0.000 0.771 613 P CB 0.278 31.998 31.700 0.034 0.000 0.864 614 H N 4.330 123.282 119.070 -0.196 0.000 2.660 614 H HA 0.125 4.681 4.556 -0.000 0.000 0.374 614 H C -1.166 174.100 175.328 -0.103 0.000 1.291 614 H CA -1.521 54.395 56.048 -0.221 0.000 1.437 614 H CB -0.595 28.967 29.762 -0.333 0.000 1.509 614 H HN 0.310 nan 8.280 nan 0.000 0.614 615 P HA 0.029 nan 4.420 nan 0.000 0.231 615 P C 0.780 178.085 177.300 0.010 0.000 1.168 615 P CA 1.138 64.239 63.100 0.002 0.000 0.779 615 P CB 0.157 31.838 31.700 -0.032 0.000 0.844 616 A N -0.074 122.750 122.820 0.007 0.000 2.015 616 A HA -0.153 4.167 4.320 -0.000 0.000 0.219 616 A C 2.031 179.574 177.584 -0.069 0.000 1.163 616 A CA 0.947 52.950 52.037 -0.057 0.000 0.646 616 A CB -1.512 17.423 19.000 -0.109 0.000 0.806 616 A HN 0.098 nan 8.150 nan 0.000 0.448 617 L N 0.242 121.447 121.223 -0.030 0.000 2.010 617 L HA -0.231 4.109 4.340 -0.000 0.000 0.219 617 L C 2.540 179.456 176.870 0.077 0.000 1.077 617 L CA 2.911 57.766 54.840 0.024 0.000 0.773 617 L CB -1.252 40.824 42.059 0.028 0.000 0.892 617 L HN 0.437 nan 8.230 nan 0.000 0.436 618 T N -1.207 113.401 114.554 0.090 0.000 2.737 618 T HA -0.262 4.088 4.350 -0.000 0.000 0.269 618 T C 1.726 176.537 174.700 0.185 0.000 1.040 618 T CA 1.582 63.785 62.100 0.172 0.000 1.142 618 T CB -0.284 68.665 68.868 0.133 0.000 0.861 618 T HN 0.435 nan 8.240 nan 0.000 0.456 619 E N 1.316 121.567 120.200 0.085 0.000 2.072 619 E HA 0.010 4.360 4.350 -0.000 0.000 0.191 619 E C 2.280 178.904 176.600 0.040 0.000 0.985 619 E CA 1.134 57.587 56.400 0.088 0.000 0.801 619 E CB -0.531 29.195 29.700 0.043 0.000 0.750 619 E HN 0.438 nan 8.360 nan 0.000 0.452 620 A N 1.338 124.096 122.820 -0.104 0.000 1.865 620 A HA -0.279 4.041 4.320 -0.000 0.000 0.217 620 A C 2.186 179.672 177.584 -0.163 0.000 1.191 620 A CA 2.175 54.133 52.037 -0.131 0.000 0.623 620 A CB -0.778 18.145 19.000 -0.128 0.000 0.826 620 A HN 0.315 nan 8.150 nan 0.000 0.444 621 K N -1.196 119.177 120.400 -0.046 0.000 2.211 621 K HA -0.255 4.065 4.320 -0.000 0.000 0.204 621 K C 1.972 178.446 176.600 -0.211 0.000 1.047 621 K CA 1.871 58.126 56.287 -0.053 0.000 0.935 621 K CB -0.336 32.273 32.500 0.182 0.000 0.728 621 K HN 0.797 nan 8.250 nan 0.000 0.452 622 H N -0.781 118.068 119.070 -0.369 0.000 2.465 622 H HA 0.060 4.616 4.556 -0.000 0.000 0.289 622 H C 1.583 176.596 175.328 -0.525 0.000 1.022 622 H CA 0.450 56.066 56.048 -0.719 0.000 1.340 622 H CB 0.514 29.748 29.762 -0.880 0.000 1.437 622 H HN 0.274 nan 8.280 nan 0.000 0.539 623 Q N 0.803 120.293 119.800 -0.518 0.000 2.083 623 Q HA -0.089 4.251 4.340 -0.000 0.000 0.198 623 Q C 1.461 176.921 176.000 -0.901 0.000 0.969 623 Q CA 0.941 56.367 55.803 -0.629 0.000 0.838 623 Q CB -0.040 28.438 28.738 -0.434 0.000 0.900 623 Q HN 0.645 nan 8.270 nan 0.000 0.436 624 Q N 1.548 120.774 119.800 -0.957 0.000 2.291 624 Q HA -0.007 4.333 4.340 -0.000 0.000 0.211 624 Q C 0.162 175.573 176.000 -0.982 0.000 0.925 624 Q CA -0.182 54.933 55.803 -1.147 0.000 0.949 624 Q CB -0.022 28.065 28.738 -1.085 0.000 1.015 624 Q HN 0.349 nan 8.270 nan 0.000 0.477 625 Q N -1.150 118.178 119.800 -0.787 0.000 2.417 625 Q HA 0.055 4.395 4.340 -0.000 0.000 0.241 625 Q C -0.256 175.265 176.000 -0.799 0.000 1.008 625 Q CA -0.167 55.236 55.803 -0.667 0.000 0.901 625 Q CB 0.511 29.036 28.738 -0.356 0.000 1.259 625 Q HN 0.125 nan 8.270 nan 0.000 0.489 626 F N -0.271 119.462 119.950 -0.362 0.000 2.335 626 F HA 0.220 4.747 4.527 -0.000 0.000 0.296 626 F C 0.261 175.527 175.800 -0.889 0.000 1.091 626 F CA 0.080 57.623 58.000 -0.762 0.000 1.399 626 F CB 0.238 38.459 39.000 -1.299 0.000 1.067 626 F HN 0.363 nan 8.300 nan 0.000 0.520 627 F N 0.471 120.366 119.950 -0.092 0.000 2.425 627 F HA 0.512 5.039 4.527 -0.000 0.000 0.331 627 F C -0.032 175.454 175.800 -0.524 0.000 1.085 627 F CA -0.964 56.870 58.000 -0.277 0.000 1.028 627 F CB 0.869 39.735 39.000 -0.223 0.000 1.177 627 F HN -0.264 nan 8.300 nan 0.000 0.487 628 Q N 2.914 122.399 119.800 -0.525 0.000 2.285 628 Q HA 0.415 4.755 4.340 -0.000 0.000 0.269 628 Q C -1.635 174.074 176.000 -0.485 0.000 1.030 628 Q CA -0.582 54.955 55.803 -0.442 0.000 0.788 628 Q CB 2.855 31.493 28.738 -0.167 0.000 1.266 628 Q HN 0.504 nan 8.270 nan 0.000 0.438 629 F N 0.631 120.715 119.950 0.225 0.000 2.492 629 F HA 0.625 5.152 4.527 -0.000 0.000 0.327 629 F C 0.575 176.611 175.800 0.393 0.000 1.079 629 F CA -0.812 57.391 58.000 0.339 0.000 0.967 629 F CB 1.646 40.960 39.000 0.523 0.000 1.169 629 F HN 0.134 nan 8.300 nan 0.000 0.472 630 R N 1.657 122.452 120.500 0.491 0.000 2.744 630 R HA 0.677 5.017 4.340 -0.000 0.000 0.279 630 R C -1.935 174.405 176.300 0.067 0.000 0.977 630 R CA -1.245 55.040 56.100 0.309 0.000 0.906 630 R CB 2.739 33.136 30.300 0.163 0.000 1.197 630 R HN 0.626 nan 8.270 nan 0.000 0.463 631 L N 1.211 122.350 121.223 -0.140 0.000 2.319 631 L HA 0.439 4.779 4.340 -0.000 0.000 0.281 631 L C -1.156 175.551 176.870 -0.272 0.000 1.005 631 L CA 0.111 54.648 54.840 -0.504 0.000 0.828 631 L CB 2.012 43.295 42.059 -1.293 0.000 1.227 631 L HN 0.447 nan 8.230 nan 0.000 0.415 632 S N 3.583 119.154 115.700 -0.216 0.000 2.659 632 S HA 0.730 5.200 4.470 -0.000 0.000 0.312 632 S C 0.472 174.987 174.600 -0.141 0.000 1.114 632 S CA -0.055 58.062 58.200 -0.138 0.000 1.063 632 S CB 1.291 64.445 63.200 -0.077 0.000 0.996 632 S HN 1.228 nan 8.310 nan 0.000 0.478 633 G N 3.870 112.595 108.800 -0.126 0.000 2.651 633 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.315 633 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.315 633 G C 0.100 174.907 174.900 -0.155 0.000 1.258 633 G CA 0.859 45.890 45.100 -0.115 0.000 1.002 633 G HN 0.668 nan 8.290 nan 0.000 0.551 634 Q N 0.362 120.076 119.800 -0.143 0.000 2.204 634 Q HA 0.456 4.796 4.340 -0.000 0.000 0.209 634 Q C 0.550 176.429 176.000 -0.201 0.000 0.861 634 Q CA 0.634 56.330 55.803 -0.178 0.000 0.971 634 Q CB 0.504 29.151 28.738 -0.152 0.000 1.095 634 Q HN 0.404 nan 8.270 nan 0.000 0.486 635 T N 1.150 115.596 114.554 -0.180 0.000 2.758 635 T HA 0.556 4.906 4.350 -0.000 0.000 0.285 635 T C -0.309 174.290 174.700 -0.168 0.000 0.981 635 T CA -0.482 61.525 62.100 -0.154 0.000 0.965 635 T CB 0.571 69.380 68.868 -0.097 0.000 0.927 635 T HN 0.152 nan 8.240 nan 0.000 0.448 636 I N 3.253 123.739 120.570 -0.141 0.000 2.331 636 I HA 0.323 4.493 4.170 -0.000 0.000 0.292 636 I C 0.602 176.744 176.117 0.041 0.000 0.998 636 I CA -0.452 60.804 61.300 -0.073 0.000 1.267 636 I CB 1.091 39.076 38.000 -0.025 0.000 1.386 636 I HN 0.515 nan 8.210 nan 0.000 0.476 637 E N 6.945 127.204 120.200 0.098 0.000 2.102 637 E HA 0.355 4.705 4.350 -0.000 0.000 0.263 637 E C -1.399 175.300 176.600 0.165 0.000 0.894 637 E CA -0.631 55.835 56.400 0.110 0.000 0.746 637 E CB 1.408 31.147 29.700 0.066 0.000 1.129 637 E HN 0.383 nan 8.360 nan 0.000 0.416 638 V N 4.123 124.120 119.914 0.138 0.000 2.461 638 V HA 0.268 4.388 4.120 -0.000 0.000 0.275 638 V C 0.172 176.271 176.094 0.008 0.000 1.047 638 V CA -0.294 62.025 62.300 0.031 0.000 0.955 638 V CB 1.250 33.135 31.823 0.104 0.000 0.988 638 V HN 0.655 nan 8.190 nan 0.000 0.471 639 T N 3.489 118.000 114.554 -0.071 0.000 2.807 639 T HA 0.415 4.765 4.350 -0.000 0.000 0.279 639 T C -0.058 174.622 174.700 -0.034 0.000 0.993 639 T CA -0.389 61.694 62.100 -0.029 0.000 0.970 639 T CB 1.653 70.495 68.868 -0.043 0.000 0.950 639 T HN 0.715 nan 8.240 nan 0.000 0.441 640 S N 1.511 117.204 115.700 -0.012 0.000 2.578 640 S HA 0.339 4.809 4.470 -0.000 0.000 0.283 640 S C 0.259 174.754 174.600 -0.175 0.000 1.195 640 S CA -0.604 57.530 58.200 -0.109 0.000 1.050 640 S CB 0.744 63.946 63.200 0.002 0.000 1.012 640 S HN 0.735 nan 8.310 nan 0.000 0.511 641 E N 2.112 122.124 120.200 -0.314 0.000 2.887 641 E HA 0.156 4.506 4.350 -0.000 0.000 0.206 641 E C -1.237 175.180 176.600 -0.305 0.000 0.983 641 E CA -0.136 56.117 56.400 -0.244 0.000 1.141 641 E CB 0.467 30.043 29.700 -0.207 0.000 1.061 641 E HN 0.607 nan 8.360 nan 0.000 0.468 642 Y N 0.334 120.485 120.300 -0.248 0.000 2.301 642 Y HA 0.170 4.720 4.550 -0.000 0.000 0.325 642 Y C 1.268 176.950 175.900 -0.364 0.000 1.203 642 Y CA 0.005 57.905 58.100 -0.332 0.000 1.255 642 Y CB 0.931 39.190 38.460 -0.334 0.000 1.232 642 Y HN 0.008 nan 8.280 nan 0.000 0.501 643 L N 0.857 121.831 121.223 -0.413 0.000 2.425 643 L HA 0.048 4.388 4.340 -0.000 0.000 0.215 643 L C 0.607 176.878 176.870 -0.998 0.000 1.065 643 L CA 0.580 54.901 54.840 -0.864 0.000 0.842 643 L CB 0.080 41.266 42.059 -1.457 0.000 1.033 643 L HN 0.578 nan 8.230 nan 0.000 0.474 644 F N -0.547 119.405 119.950 0.002 0.000 2.619 644 F HA 0.203 4.730 4.527 -0.000 0.000 0.281 644 F C 1.419 177.199 175.800 -0.033 0.000 1.065 644 F CA -0.729 57.252 58.000 -0.032 0.000 1.304 644 F CB -0.143 38.819 39.000 -0.064 0.000 1.059 644 F HN -0.122 nan 8.300 nan 0.000 0.648 645 R N 0.451 120.965 120.500 0.024 0.000 2.543 645 R HA 0.406 4.746 4.340 -0.000 0.000 0.268 645 R C -1.018 175.268 176.300 -0.024 0.000 1.067 645 R CA -0.524 55.543 56.100 -0.056 0.000 1.142 645 R CB 0.568 30.746 30.300 -0.204 0.000 1.110 645 R HN 0.179 nan 8.270 nan 0.000 0.549 646 H N 0.361 119.383 119.070 -0.081 0.000 2.457 646 H HA 0.193 4.749 4.556 -0.000 0.000 0.335 646 H C -0.590 174.728 175.328 -0.017 0.000 1.115 646 H CA -0.481 55.555 56.048 -0.019 0.000 1.219 646 H CB 1.427 31.193 29.762 0.006 0.000 1.471 646 H HN 0.783 nan 8.280 nan 0.000 0.491 647 S N 3.328 118.839 115.700 -0.315 0.000 2.808 647 S HA -0.071 4.399 4.470 -0.000 0.000 0.342 647 S C -0.090 174.487 174.600 -0.039 0.000 1.154 647 S CA 0.229 58.377 58.200 -0.086 0.000 1.476 647 S CB -0.699 62.471 63.200 -0.049 0.000 1.290 647 S HN 0.776 nan 8.310 nan 0.000 0.582 648 D N 0.113 120.531 120.400 0.031 0.000 2.535 648 D HA 0.165 4.805 4.640 -0.000 0.000 0.229 648 D C 0.185 176.512 176.300 0.045 0.000 1.238 648 D CA -0.551 53.494 54.000 0.076 0.000 0.824 648 D CB -0.020 40.850 40.800 0.117 0.000 1.045 648 D HN 0.460 nan 8.370 nan 0.000 0.500 649 N N 0.221 118.944 118.700 0.037 0.000 2.527 649 N HA 0.125 4.865 4.740 -0.000 0.000 0.279 649 N C -1.451 174.082 175.510 0.039 0.000 1.571 649 N CA -0.087 52.983 53.050 0.034 0.000 0.858 649 N CB 0.445 38.951 38.487 0.032 0.000 1.422 649 N HN -0.021 nan 8.380 nan 0.000 0.491 650 E N 0.281 120.489 120.200 0.013 0.000 2.216 650 E HA 0.402 4.752 4.350 -0.000 0.000 0.260 650 E C -1.467 175.095 176.600 -0.063 0.000 0.880 650 E CA -0.564 55.819 56.400 -0.029 0.000 0.765 650 E CB 1.643 31.289 29.700 -0.090 0.000 1.174 650 E HN 0.087 nan 8.360 nan 0.000 0.417 651 L N 3.734 124.902 121.223 -0.090 0.000 2.329 651 L HA 0.535 4.875 4.340 -0.000 0.000 0.279 651 L C -1.456 175.300 176.870 -0.191 0.000 1.014 651 L CA -1.057 53.697 54.840 -0.143 0.000 0.814 651 L CB 1.454 43.376 42.059 -0.229 0.000 1.257 651 L HN 0.528 nan 8.230 nan 0.000 0.424 652 L N 4.934 126.092 121.223 -0.109 0.000 2.272 652 L HA 0.451 4.791 4.340 -0.000 0.000 0.289 652 L C -0.837 176.075 176.870 0.071 0.000 1.032 652 L CA 0.149 54.990 54.840 0.002 0.000 0.810 652 L CB 0.736 42.870 42.059 0.124 0.000 1.205 652 L HN 0.631 nan 8.230 nan 0.000 0.422 653 H N 5.372 124.523 119.070 0.135 0.000 2.469 653 H HA 0.579 5.135 4.556 -0.000 0.000 0.342 653 H C -1.267 174.177 175.328 0.194 0.000 1.115 653 H CA -0.668 55.435 56.048 0.091 0.000 1.204 653 H CB 1.270 31.036 29.762 0.007 0.000 1.492 653 H HN 0.720 nan 8.280 nan 0.000 0.499 654 W N 4.652 126.061 121.300 0.182 0.000 3.129 654 W HA 0.488 5.148 4.660 -0.000 0.000 0.333 654 W C -2.157 174.405 176.519 0.072 0.000 1.141 654 W CA -1.272 56.144 57.345 0.118 0.000 1.224 654 W CB 1.295 30.823 29.460 0.113 0.000 1.393 654 W HN 0.544 nan 8.180 nan 0.000 0.499 655 M N 3.824 123.579 119.600 0.258 0.000 2.322 655 M HA 0.533 5.013 4.480 -0.000 0.000 0.286 655 M C -2.044 174.398 176.300 0.238 0.000 1.111 655 M CA -0.494 54.831 55.300 0.041 0.000 0.941 655 M CB 2.215 34.736 32.600 -0.131 0.000 1.671 655 M HN 0.182 nan 8.290 nan 0.000 0.470 656 V N 2.988 123.052 119.914 0.249 0.000 2.644 656 V HA 0.981 5.101 4.120 -0.000 0.000 0.295 656 V C 0.126 176.307 176.094 0.145 0.000 1.053 656 V CA -0.295 62.154 62.300 0.249 0.000 0.987 656 V CB 1.065 33.052 31.823 0.273 0.000 1.006 656 V HN 0.999 nan 8.190 nan 0.000 0.472 657 A N 3.751 126.674 122.820 0.171 0.000 2.532 657 A HA 0.641 4.961 4.320 -0.000 0.000 0.296 657 A C -1.599 176.093 177.584 0.181 0.000 1.058 657 A CA -0.456 51.653 52.037 0.121 0.000 0.729 657 A CB 1.324 20.346 19.000 0.036 0.000 1.285 657 A HN 0.683 nan 8.150 nan 0.000 0.396 658 L N 2.323 123.622 121.223 0.126 0.000 2.265 658 L HA 0.451 4.791 4.340 -0.000 0.000 0.288 658 L C -0.050 176.905 176.870 0.140 0.000 1.058 658 L CA 0.381 55.308 54.840 0.145 0.000 0.809 658 L CB -0.021 42.094 42.059 0.093 0.000 1.179 658 L HN 0.801 nan 8.230 nan 0.000 0.429 659 D N 4.874 125.415 120.400 0.235 0.000 2.706 659 D HA -0.232 4.408 4.640 -0.000 0.000 0.230 659 D C 1.217 177.524 176.300 0.011 0.000 1.184 659 D CA 1.263 55.376 54.000 0.188 0.000 0.628 659 D CB -0.955 39.939 40.800 0.157 0.000 1.019 659 D HN 1.124 nan 8.370 nan 0.000 0.415 660 G N -1.090 107.690 108.800 -0.033 0.000 2.199 660 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.254 660 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.254 660 G C 0.274 175.093 174.900 -0.136 0.000 0.982 660 G CA 0.529 45.511 45.100 -0.198 0.000 0.632 660 G HN 0.432 nan 8.290 nan 0.000 0.529 661 K N 1.719 122.088 120.400 -0.052 0.000 2.248 661 K HA 0.534 4.854 4.320 -0.000 0.000 0.281 661 K C -2.501 174.081 176.600 -0.031 0.000 1.054 661 K CA -2.104 54.154 56.287 -0.048 0.000 0.903 661 K CB 1.299 33.786 32.500 -0.021 0.000 1.077 661 K HN 0.009 nan 8.250 nan 0.000 0.474 662 P HA 0.017 nan 4.420 nan 0.000 0.263 662 P C -0.020 177.264 177.300 -0.026 0.000 1.247 662 P CA 0.258 63.325 63.100 -0.054 0.000 0.876 662 P CB 0.357 32.001 31.700 -0.094 0.000 0.928 663 L N 2.081 123.310 121.223 0.010 0.000 2.049 663 L HA 0.152 4.492 4.340 -0.000 0.000 0.203 663 L C 1.213 178.093 176.870 0.016 0.000 1.074 663 L CA 1.103 55.958 54.840 0.026 0.000 0.749 663 L CB -0.317 41.780 42.059 0.063 0.000 0.907 663 L HN 0.304 nan 8.230 nan 0.000 0.439 664 A N -1.544 121.286 122.820 0.017 0.000 2.569 664 A HA 0.766 5.086 4.320 -0.000 0.000 0.290 664 A C -0.923 176.491 177.584 -0.284 0.000 1.136 664 A CA -0.347 51.670 52.037 -0.034 0.000 0.710 664 A CB 1.996 21.094 19.000 0.164 0.000 1.303 664 A HN -0.061 nan 8.150 nan 0.000 0.413 665 S N -1.663 113.688 115.700 -0.581 0.000 2.550 665 S HA 0.855 5.325 4.470 -0.000 0.000 0.270 665 S C -0.386 173.387 174.600 -1.377 0.000 1.145 665 S CA 0.052 57.649 58.200 -1.006 0.000 0.852 665 S CB 2.092 64.962 63.200 -0.551 0.000 1.119 665 S HN 1.952 nan 8.310 nan 0.000 0.465 666 G N 0.927 108.589 108.800 -1.897 0.000 2.698 666 G HA2 0.647 4.607 3.960 -0.000 0.000 0.293 666 G HA3 0.647 4.607 3.960 -0.000 0.000 0.293 666 G C -2.151 172.561 174.900 -0.313 0.000 1.437 666 G CA -0.543 43.986 45.100 -0.952 0.000 0.852 666 G HN 0.503 nan 8.290 nan 0.000 0.499 667 E N 0.282 120.579 120.200 0.162 0.000 2.283 667 E HA 0.466 4.816 4.350 -0.000 0.000 0.258 667 E C -1.059 175.688 176.600 0.246 0.000 0.893 667 E CA -0.483 56.081 56.400 0.274 0.000 0.798 667 E CB 2.613 32.444 29.700 0.218 0.000 1.242 667 E HN 0.267 nan 8.360 nan 0.000 0.414 668 V N 3.670 123.733 119.914 0.247 0.000 2.715 668 V HA 0.490 4.610 4.120 -0.000 0.000 0.310 668 V C -2.376 173.773 176.094 0.092 0.000 1.054 668 V CA -2.188 60.212 62.300 0.166 0.000 0.928 668 V CB 1.991 33.914 31.823 0.166 0.000 1.007 668 V HN 0.510 nan 8.190 nan 0.000 0.437 669 P HA 0.447 nan 4.420 nan 0.000 0.294 669 P C -0.922 176.395 177.300 0.027 0.000 1.294 669 P CA -0.450 62.671 63.100 0.035 0.000 0.827 669 P CB 0.883 32.609 31.700 0.043 0.000 0.992 670 L N 2.868 124.084 121.223 -0.011 0.000 2.331 670 L HA 0.281 4.621 4.340 -0.000 0.000 0.278 670 L C 0.454 177.308 176.870 -0.028 0.000 1.106 670 L CA 0.487 55.306 54.840 -0.036 0.000 0.824 670 L CB 0.297 42.273 42.059 -0.138 0.000 1.142 670 L HN 0.365 nan 8.230 nan 0.000 0.443 671 D N 2.715 123.105 120.400 -0.017 0.000 2.735 671 D HA 0.310 4.950 4.640 -0.000 0.000 0.291 671 D C -1.103 175.162 176.300 -0.059 0.000 1.205 671 D CA -0.198 53.799 54.000 -0.006 0.000 0.777 671 D CB 0.799 41.672 40.800 0.121 0.000 1.234 671 D HN 0.107 nan 8.370 nan 0.000 0.520 672 V N -0.097 119.659 119.914 -0.263 0.000 2.581 672 V HA 0.939 5.059 4.120 -0.000 0.000 0.303 672 V C 0.480 176.365 176.094 -0.350 0.000 1.041 672 V CA -1.350 60.861 62.300 -0.147 0.000 0.907 672 V CB 1.528 33.382 31.823 0.052 0.000 0.994 672 V HN 0.361 nan 8.190 nan 0.000 0.442 673 A N 4.974 127.820 122.820 0.043 0.000 2.309 673 A HA 0.822 5.142 4.320 -0.000 0.000 0.298 673 A C -2.408 175.233 177.584 0.095 0.000 1.165 673 A CA -1.945 50.226 52.037 0.223 0.000 0.821 673 A CB 0.162 19.303 19.000 0.234 0.000 1.102 673 A HN 0.768 nan 8.150 nan 0.000 0.500 674 P HA -0.086 nan 4.420 nan 0.000 0.257 674 P C -0.416 176.878 177.300 -0.011 0.000 1.144 674 P CA 0.979 64.087 63.100 0.014 0.000 0.761 674 P CB -0.085 31.594 31.700 -0.035 0.000 0.734 675 Q N -0.888 118.893 119.800 -0.033 0.000 2.489 675 Q HA -0.180 4.160 4.340 -0.000 0.000 0.259 675 Q C 0.701 176.698 176.000 -0.006 0.000 0.934 675 Q CA 1.092 56.873 55.803 -0.038 0.000 1.131 675 Q CB -2.451 26.255 28.738 -0.054 0.000 1.472 675 Q HN 0.724 nan 8.270 nan 0.000 0.560 676 G N 0.351 109.162 108.800 0.019 0.000 2.613 676 G HA2 0.659 4.619 3.960 -0.000 0.000 0.303 676 G HA3 0.659 4.619 3.960 -0.000 0.000 0.303 676 G C -0.695 174.227 174.900 0.037 0.000 1.312 676 G CA -0.732 44.388 45.100 0.034 0.000 1.036 676 G HN -0.013 nan 8.290 nan 0.000 0.513 677 K N -0.327 120.098 120.400 0.042 0.000 2.371 677 K HA 0.414 4.734 4.320 -0.000 0.000 0.251 677 K C -1.100 175.531 176.600 0.052 0.000 0.934 677 K CA -0.534 55.779 56.287 0.044 0.000 0.798 677 K CB 2.572 35.092 32.500 0.033 0.000 1.204 677 K HN 0.488 nan 8.250 nan 0.000 0.427 678 Q N 4.013 123.848 119.800 0.058 0.000 2.290 678 Q HA 0.317 4.657 4.340 -0.000 0.000 0.269 678 Q C -1.388 174.645 176.000 0.056 0.000 1.016 678 Q CA -0.575 55.263 55.803 0.058 0.000 0.754 678 Q CB 1.128 29.903 28.738 0.063 0.000 1.247 678 Q HN 0.538 nan 8.270 nan 0.000 0.451 679 L N 5.945 127.192 121.223 0.040 0.000 2.281 679 L HA 0.447 4.787 4.340 -0.000 0.000 0.285 679 L C -0.260 176.620 176.870 0.016 0.000 1.074 679 L CA -0.354 54.501 54.840 0.025 0.000 0.817 679 L CB 0.708 42.774 42.059 0.012 0.000 1.168 679 L HN 0.621 nan 8.230 nan 0.000 0.434 680 I N 3.307 123.880 120.570 0.006 0.000 2.354 680 I HA 0.256 4.425 4.170 -0.000 0.000 0.292 680 I C -0.000 176.069 176.117 -0.079 0.000 0.989 680 I CA -0.481 60.806 61.300 -0.022 0.000 1.188 680 I CB 2.048 40.046 38.000 -0.003 0.000 1.342 680 I HN 0.584 nan 8.210 nan 0.000 0.457 681 E N 6.272 126.422 120.200 -0.084 0.000 2.109 681 E HA 0.427 4.777 4.350 -0.000 0.000 0.278 681 E C -1.080 175.415 176.600 -0.174 0.000 0.954 681 E CA -0.569 55.763 56.400 -0.113 0.000 0.779 681 E CB 1.259 30.917 29.700 -0.070 0.000 1.093 681 E HN 0.479 nan 8.360 nan 0.000 0.401 682 L N 6.792 127.863 121.223 -0.253 0.000 2.290 682 L HA 0.317 4.657 4.340 -0.000 0.000 0.284 682 L C -1.862 174.869 176.870 -0.232 0.000 1.078 682 L CA -2.094 52.517 54.840 -0.381 0.000 0.815 682 L CB 0.597 42.305 42.059 -0.585 0.000 1.162 682 L HN 0.464 nan 8.230 nan 0.000 0.435 683 P HA -0.101 nan 4.420 nan 0.000 0.260 683 P C -0.145 177.131 177.300 -0.041 0.000 1.172 683 P CA 0.018 63.093 63.100 -0.042 0.000 0.760 683 P CB 0.317 32.060 31.700 0.071 0.000 0.773 684 E N 2.389 122.574 120.200 -0.025 0.000 3.231 684 E HA -0.134 4.216 4.350 -0.000 0.000 0.271 684 E C -0.427 176.179 176.600 0.010 0.000 0.877 684 E CA 0.486 56.877 56.400 -0.016 0.000 0.973 684 E CB 0.133 29.830 29.700 -0.005 0.000 0.922 684 E HN 0.392 nan 8.360 nan 0.000 0.532 685 L N 6.734 127.956 121.223 -0.001 0.000 2.343 685 L HA 0.413 4.753 4.340 -0.000 0.000 0.275 685 L C -1.811 175.082 176.870 0.038 0.000 1.056 685 L CA -2.277 52.583 54.840 0.033 0.000 0.804 685 L CB 1.000 43.067 42.059 0.014 0.000 1.203 685 L HN 0.529 nan 8.230 nan 0.000 0.440 686 P HA -0.053 nan 4.420 nan 0.000 0.266 686 P C -1.002 176.321 177.300 0.038 0.000 1.193 686 P CA 0.060 63.190 63.100 0.051 0.000 0.770 686 P CB 0.495 32.234 31.700 0.065 0.000 0.836 687 Q N 0.457 120.274 119.800 0.028 0.000 2.129 687 Q HA 0.233 4.573 4.340 -0.000 0.000 0.274 687 Q C -1.818 174.194 176.000 0.021 0.000 0.854 687 Q CA -1.286 54.529 55.803 0.021 0.000 1.123 687 Q CB -0.476 28.269 28.738 0.012 0.000 1.226 687 Q HN 0.495 nan 8.270 nan 0.000 0.454 688 P HA -0.175 nan 4.420 nan 0.000 0.270 688 P C 0.299 177.613 177.300 0.024 0.000 1.167 688 P CA 0.796 63.913 63.100 0.027 0.000 0.759 688 P CB 0.725 32.446 31.700 0.036 0.000 0.777 689 E N -0.002 120.211 120.200 0.022 0.000 2.307 689 E HA 0.035 4.385 4.350 -0.000 0.000 0.195 689 E C 0.383 176.997 176.600 0.024 0.000 0.975 689 E CA -0.136 56.276 56.400 0.020 0.000 0.878 689 E CB -0.167 29.543 29.700 0.017 0.000 0.845 689 E HN 0.411 nan 8.360 nan 0.000 0.488 690 S N 1.647 117.363 115.700 0.027 0.000 2.537 690 S HA 0.108 4.578 4.470 -0.000 0.000 0.280 690 S C 0.370 174.991 174.600 0.036 0.000 1.335 690 S CA 0.008 58.227 58.200 0.032 0.000 1.025 690 S CB 0.394 63.614 63.200 0.034 0.000 0.836 690 S HN 0.393 nan 8.310 nan 0.000 0.523 691 A N 0.908 123.752 122.820 0.041 0.000 2.340 691 A HA 0.763 5.083 4.320 -0.000 0.000 0.268 691 A C 0.821 178.441 177.584 0.061 0.000 1.100 691 A CA 0.248 52.313 52.037 0.046 0.000 0.803 691 A CB 0.028 19.056 19.000 0.047 0.000 1.043 691 A HN 1.680 nan 8.150 nan 0.000 0.488 692 G N -0.018 108.819 108.800 0.063 0.000 2.369 692 G HA2 0.318 4.278 3.960 -0.000 0.000 0.295 692 G HA3 0.318 4.278 3.960 -0.000 0.000 0.295 692 G C -1.369 173.573 174.900 0.071 0.000 1.298 692 G CA -0.923 44.232 45.100 0.091 0.000 0.940 692 G HN 0.831 nan 8.290 nan 0.000 0.536 693 Q N -0.387 119.484 119.800 0.119 0.000 2.340 693 Q HA 0.535 4.875 4.340 -0.000 0.000 0.259 693 Q C -0.657 175.420 176.000 0.129 0.000 0.964 693 Q CA -0.728 55.097 55.803 0.037 0.000 0.900 693 Q CB 2.228 31.006 28.738 0.068 0.000 1.228 693 Q HN 0.466 nan 8.270 nan 0.000 0.449 694 L N 4.056 125.271 121.223 -0.013 0.000 2.268 694 L HA 0.340 4.680 4.340 -0.000 0.000 0.289 694 L C -1.590 175.313 176.870 0.054 0.000 1.064 694 L CA 0.186 55.068 54.840 0.071 0.000 0.824 694 L CB 0.134 42.210 42.059 0.029 0.000 1.202 694 L HN 0.546 nan 8.230 nan 0.000 0.433 695 W N 5.065 126.437 121.300 0.120 0.000 2.627 695 W HA 0.557 5.217 4.660 -0.000 0.000 0.339 695 W C -0.857 175.770 176.519 0.181 0.000 1.058 695 W CA -0.797 56.640 57.345 0.153 0.000 1.223 695 W CB 1.706 31.284 29.460 0.196 0.000 1.389 695 W HN 0.258 nan 8.180 nan 0.000 0.541 696 L N 2.885 124.425 121.223 0.529 0.000 2.305 696 L HA 0.674 5.014 4.340 -0.000 0.000 0.284 696 L C -0.497 176.673 176.870 0.501 0.000 1.013 696 L CA 0.065 55.196 54.840 0.485 0.000 0.819 696 L CB 1.304 43.628 42.059 0.442 0.000 1.227 696 L HN 0.280 nan 8.230 nan 0.000 0.417 697 T N 5.024 119.812 114.554 0.389 0.000 2.879 697 T HA 0.626 4.976 4.350 -0.000 0.000 0.290 697 T C -0.940 173.921 174.700 0.269 0.000 0.993 697 T CA -0.407 61.853 62.100 0.267 0.000 0.975 697 T CB 1.494 70.451 68.868 0.148 0.000 0.981 697 T HN 0.563 nan 8.240 nan 0.000 0.439 698 V N 2.207 122.233 119.914 0.185 0.000 2.628 698 V HA 0.869 4.989 4.120 -0.000 0.000 0.306 698 V C -0.634 175.514 176.094 0.091 0.000 1.045 698 V CA -1.047 61.335 62.300 0.137 0.000 0.905 698 V CB 1.874 33.691 31.823 -0.010 0.000 0.997 698 V HN 0.790 nan 8.190 nan 0.000 0.436 699 R N 2.352 122.939 120.500 0.145 0.000 2.621 699 R HA 0.776 5.116 4.340 -0.000 0.000 0.284 699 R C -1.499 174.882 176.300 0.136 0.000 0.998 699 R CA -0.622 55.583 56.100 0.175 0.000 0.895 699 R CB 2.633 33.038 30.300 0.173 0.000 1.195 699 R HN 0.750 nan 8.270 nan 0.000 0.450 700 V N 3.603 123.624 119.914 0.178 0.000 2.439 700 V HA 0.468 4.588 4.120 -0.000 0.000 0.282 700 V C -0.435 175.701 176.094 0.069 0.000 1.039 700 V CA -0.561 61.799 62.300 0.099 0.000 0.913 700 V CB 1.679 33.571 31.823 0.116 0.000 0.983 700 V HN 0.429 nan 8.190 nan 0.000 0.460 701 V N 4.775 124.668 119.914 -0.035 0.000 2.577 701 V HA 0.370 4.490 4.120 -0.000 0.000 0.303 701 V C -0.450 175.643 176.094 -0.001 0.000 1.042 701 V CA -0.767 61.519 62.300 -0.024 0.000 0.872 701 V CB 1.933 33.674 31.823 -0.136 0.000 0.998 701 V HN 0.923 nan 8.190 nan 0.000 0.423 702 Q N 5.824 125.668 119.800 0.074 0.000 2.406 702 Q HA 0.259 4.599 4.340 -0.000 0.000 0.242 702 Q C -1.770 174.248 176.000 0.031 0.000 1.036 702 Q CA -1.708 54.134 55.803 0.065 0.000 0.904 702 Q CB 1.619 30.416 28.738 0.098 0.000 1.244 702 Q HN 0.469 nan 8.270 nan 0.000 0.478 703 P HA -0.160 nan 4.420 nan 0.000 0.218 703 P C -0.629 176.672 177.300 0.002 0.000 1.149 703 P CA 1.132 64.237 63.100 0.009 0.000 0.817 703 P CB 0.416 32.119 31.700 0.006 0.000 0.785 704 N N -0.952 117.742 118.700 -0.009 0.000 2.430 704 N HA 0.478 5.218 4.740 -0.000 0.000 0.298 704 N C -0.319 175.152 175.510 -0.065 0.000 1.130 704 N CA -0.722 52.312 53.050 -0.027 0.000 0.894 704 N CB 1.031 39.506 38.487 -0.020 0.000 1.209 704 N HN -0.089 nan 8.380 nan 0.000 0.503 705 A N 0.335 123.110 122.820 -0.075 0.000 2.310 705 A HA 0.588 4.908 4.320 -0.000 0.000 0.260 705 A C 0.598 178.072 177.584 -0.182 0.000 1.112 705 A CA 0.101 52.058 52.037 -0.133 0.000 0.804 705 A CB 0.066 19.009 19.000 -0.095 0.000 1.081 705 A HN 0.734 nan 8.150 nan 0.000 0.499 706 T N -4.599 109.778 114.554 -0.294 0.000 2.654 706 T HA 0.590 4.940 4.350 -0.000 0.000 0.289 706 T C 0.629 175.182 174.700 -0.245 0.000 1.062 706 T CA 0.260 62.177 62.100 -0.306 0.000 1.041 706 T CB 0.838 69.387 68.868 -0.531 0.000 1.417 706 T HN 1.491 nan 8.240 nan 0.000 0.510 707 A N -0.334 122.427 122.820 -0.098 0.000 2.169 707 A HA 0.249 4.569 4.320 -0.000 0.000 0.212 707 A C 1.486 179.217 177.584 0.246 0.000 1.153 707 A CA 0.623 52.725 52.037 0.108 0.000 0.756 707 A CB -0.704 18.405 19.000 0.182 0.000 0.813 707 A HN 0.869 nan 8.150 nan 0.000 0.471 708 W N -1.016 120.347 121.300 0.105 0.000 2.534 708 W HA 0.399 5.059 4.660 -0.000 0.000 0.339 708 W C -0.027 176.473 176.519 -0.032 0.000 0.961 708 W CA 0.531 57.905 57.345 0.048 0.000 1.545 708 W CB -1.102 28.377 29.460 0.031 0.000 1.104 708 W HN 0.404 nan 8.180 nan 0.000 0.538 709 S N 0.406 115.591 115.700 -0.858 0.000 2.564 709 S HA 0.528 4.998 4.470 -0.000 0.000 0.274 709 S C -1.032 173.303 174.600 -0.442 0.000 1.124 709 S CA -0.489 57.247 58.200 -0.774 0.000 0.869 709 S CB 2.851 65.188 63.200 -1.440 0.000 1.105 709 S HN 0.086 nan 8.310 nan 0.000 0.472 710 E N 0.952 121.017 120.200 -0.224 0.000 2.283 710 E HA 0.617 4.967 4.350 -0.000 0.000 0.267 710 E C 0.088 176.657 176.600 -0.051 0.000 1.045 710 E CA -0.828 55.516 56.400 -0.094 0.000 0.884 710 E CB 1.320 31.011 29.700 -0.015 0.000 1.106 710 E HN 0.886 nan 8.360 nan 0.000 0.408 711 A N 0.999 123.800 122.820 -0.031 0.000 2.477 711 A HA 0.436 4.756 4.320 -0.000 0.000 0.246 711 A C 1.121 178.724 177.584 0.032 0.000 1.078 711 A CA 0.732 52.766 52.037 -0.006 0.000 0.770 711 A CB -0.392 18.604 19.000 -0.008 0.000 1.011 711 A HN 0.795 nan 8.150 nan 0.000 0.494 712 G N 0.370 109.200 108.800 0.050 0.000 2.254 712 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.225 712 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.225 712 G C 0.445 175.404 174.900 0.098 0.000 1.003 712 G CA 0.313 45.452 45.100 0.066 0.000 0.622 712 G HN 1.411 nan 8.290 nan 0.000 0.507 713 H N 1.611 120.692 119.070 0.018 0.000 3.177 713 H HA 0.081 4.637 4.556 -0.000 0.000 0.313 713 H C -0.021 175.371 175.328 0.108 0.000 0.983 713 H CA 0.889 56.969 56.048 0.054 0.000 1.358 713 H CB 0.166 29.938 29.762 0.016 0.000 1.294 713 H HN 0.185 nan 8.280 nan 0.000 0.587 714 I N 5.096 125.437 120.570 -0.382 0.000 2.354 714 I HA -0.045 4.125 4.170 -0.000 0.000 0.292 714 I C 1.448 177.485 176.117 -0.133 0.000 0.989 714 I CA -0.248 60.977 61.300 -0.126 0.000 1.188 714 I CB 1.344 39.325 38.000 -0.031 0.000 1.342 714 I HN 0.608 nan 8.210 nan 0.000 0.457 715 S N 3.985 119.819 115.700 0.223 0.000 2.499 715 S HA 0.496 4.966 4.470 -0.000 0.000 0.225 715 S C 0.719 175.574 174.600 0.424 0.000 1.050 715 S CA 0.157 58.607 58.200 0.417 0.000 0.928 715 S CB 0.659 64.211 63.200 0.587 0.000 0.803 715 S HN 0.711 nan 8.310 nan 0.000 0.506 716 A N 0.571 123.664 122.820 0.454 0.000 2.524 716 A HA 0.817 5.137 4.320 -0.000 0.000 0.286 716 A C -1.866 176.067 177.584 0.583 0.000 1.203 716 A CA -0.836 51.462 52.037 0.434 0.000 0.736 716 A CB 0.759 20.090 19.000 0.551 0.000 1.322 716 A HN 1.044 nan 8.150 nan 0.000 0.424 717 W N -1.323 120.148 121.300 0.286 0.000 3.499 717 W HA 0.668 5.328 4.660 -0.000 0.000 0.288 717 W C -1.654 174.884 176.519 0.032 0.000 1.258 717 W CA -0.310 57.077 57.345 0.070 0.000 1.203 717 W CB 0.745 30.206 29.460 0.002 0.000 1.325 717 W HN 0.911 nan 8.180 nan 0.000 0.564 718 Q N 2.146 121.948 119.800 0.004 0.000 2.435 718 Q HA 0.496 4.836 4.340 -0.000 0.000 0.282 718 Q C -1.552 174.196 176.000 -0.420 0.000 1.020 718 Q CA -0.642 55.001 55.803 -0.267 0.000 0.820 718 Q CB 2.579 30.997 28.738 -0.533 0.000 1.436 718 Q HN 0.656 nan 8.270 nan 0.000 0.395 719 Q N 2.164 121.630 119.800 -0.557 0.000 2.416 719 Q HA 0.616 4.956 4.340 -0.000 0.000 0.281 719 Q C -1.449 174.387 176.000 -0.274 0.000 1.067 719 Q CA -0.573 55.076 55.803 -0.256 0.000 0.809 719 Q CB 1.678 30.474 28.738 0.098 0.000 1.418 719 Q HN 0.648 nan 8.270 nan 0.000 0.411 720 W N 2.009 123.521 121.300 0.352 0.000 3.032 720 W HA 0.444 5.104 4.660 -0.000 0.000 0.335 720 W C -0.337 176.222 176.519 0.067 0.000 1.154 720 W CA -0.788 56.686 57.345 0.214 0.000 1.204 720 W CB 2.086 31.606 29.460 0.101 0.000 1.416 720 W HN 0.615 nan 8.180 nan 0.000 0.521 721 R N 2.973 123.402 120.500 -0.118 0.000 2.325 721 R HA 0.171 4.511 4.340 -0.000 0.000 0.323 721 R C 1.217 177.343 176.300 -0.290 0.000 1.177 721 R CA -0.085 55.585 56.100 -0.715 0.000 1.018 721 R CB 0.073 29.724 30.300 -1.082 0.000 1.070 721 R HN 0.551 nan 8.270 nan 0.000 0.495 722 L N 1.903 123.041 121.223 -0.141 0.000 1.955 722 L HA -0.125 4.215 4.340 -0.000 0.000 0.213 722 L C 1.125 177.926 176.870 -0.116 0.000 1.072 722 L CA 1.660 56.456 54.840 -0.072 0.000 0.755 722 L CB -0.339 41.719 42.059 -0.002 0.000 0.888 722 L HN 0.564 nan 8.230 nan 0.000 0.432 723 A N -1.166 121.572 122.820 -0.137 0.000 2.567 723 A HA 0.635 4.955 4.320 -0.000 0.000 0.289 723 A C -1.293 176.212 177.584 -0.132 0.000 1.177 723 A CA -0.453 51.516 52.037 -0.114 0.000 0.694 723 A CB 1.872 20.838 19.000 -0.057 0.000 1.292 723 A HN 0.135 nan 8.150 nan 0.000 0.425 724 E N 0.069 120.216 120.200 -0.087 0.000 2.293 724 E HA 0.490 4.840 4.350 -0.000 0.000 0.270 724 E C -1.657 174.928 176.600 -0.024 0.000 0.879 724 E CA -0.672 55.690 56.400 -0.064 0.000 0.756 724 E CB 1.421 31.079 29.700 -0.070 0.000 1.208 724 E HN 0.515 nan 8.360 nan 0.000 0.428 725 N N 3.995 122.694 118.700 -0.002 0.000 2.531 725 N HA 0.285 5.025 4.740 -0.000 0.000 0.268 725 N C -1.068 174.454 175.510 0.020 0.000 1.023 725 N CA -0.368 52.688 53.050 0.011 0.000 0.896 725 N CB 1.038 39.538 38.487 0.021 0.000 1.233 725 N HN 0.491 nan 8.380 nan 0.000 0.512 726 L N 1.346 122.579 121.223 0.016 0.000 2.410 726 L HA 0.150 4.489 4.340 -0.000 0.000 0.273 726 L C 1.104 177.992 176.870 0.029 0.000 1.152 726 L CA -0.040 54.815 54.840 0.024 0.000 0.855 726 L CB 0.804 42.875 42.059 0.021 0.000 1.129 726 L HN 0.422 nan 8.230 nan 0.000 0.463 727 S N 3.256 118.978 115.700 0.037 0.000 2.448 727 S HA 0.267 4.737 4.470 -0.000 0.000 0.279 727 S C 0.390 175.011 174.600 0.035 0.000 1.195 727 S CA -0.865 57.358 58.200 0.038 0.000 1.051 727 S CB 0.687 63.915 63.200 0.047 0.000 0.948 727 S HN 0.441 nan 8.310 nan 0.000 0.493 728 V N 2.382 122.314 119.914 0.030 0.000 3.043 728 V HA 0.349 4.469 4.120 -0.000 0.000 0.357 728 V C 0.751 176.861 176.094 0.026 0.000 1.372 728 V CA -0.115 62.202 62.300 0.027 0.000 1.214 728 V CB -1.072 30.765 31.823 0.022 0.000 1.224 728 V HN 0.902 nan 8.190 nan 0.000 0.507 729 T N 0.761 115.333 114.554 0.029 0.000 2.882 729 T HA 0.694 5.044 4.350 -0.000 0.000 0.287 729 T C -0.251 174.466 174.700 0.027 0.000 0.992 729 T CA -0.505 61.611 62.100 0.027 0.000 1.076 729 T CB 1.385 70.269 68.868 0.026 0.000 0.961 729 T HN 0.385 nan 8.240 nan 0.000 0.490 730 L N 4.036 125.273 121.223 0.023 0.000 2.312 730 L HA 0.518 4.858 4.340 -0.000 0.000 0.281 730 L C -1.532 175.350 176.870 0.020 0.000 1.070 730 L CA -2.180 52.673 54.840 0.022 0.000 0.805 730 L CB -0.081 41.989 42.059 0.019 0.000 1.174 730 L HN 0.572 nan 8.230 nan 0.000 0.434 731 P HA 0.154 nan 4.420 nan 0.000 0.268 731 P C -0.594 176.710 177.300 0.007 0.000 1.208 731 P CA -0.394 62.714 63.100 0.014 0.000 0.777 731 P CB 0.711 32.418 31.700 0.012 0.000 0.875 732 A N 1.848 124.667 122.820 -0.001 0.000 2.354 732 A HA 0.534 4.854 4.320 -0.000 0.000 0.269 732 A C 0.660 178.226 177.584 -0.030 0.000 1.109 732 A CA -0.192 51.840 52.037 -0.008 0.000 0.800 732 A CB -0.222 18.771 19.000 -0.011 0.000 1.045 732 A HN 0.768 nan 8.150 nan 0.000 0.489 733 A N 2.322 125.133 122.820 -0.016 0.000 2.555 733 A HA 0.459 4.779 4.320 -0.000 0.000 0.233 733 A C 0.827 178.328 177.584 -0.138 0.000 1.060 733 A CA 0.684 52.707 52.037 -0.022 0.000 0.759 733 A CB -0.394 18.634 19.000 0.046 0.000 0.995 733 A HN 1.765 nan 8.150 nan 0.000 0.506 734 S N 0.627 116.251 115.700 -0.127 0.000 2.501 734 S HA 0.524 4.994 4.470 -0.000 0.000 0.301 734 S C -0.275 174.251 174.600 -0.124 0.000 1.096 734 S CA -0.689 57.369 58.200 -0.238 0.000 1.063 734 S CB 1.011 64.148 63.200 -0.106 0.000 1.042 734 S HN 0.690 nan 8.310 nan 0.000 0.494 735 H N 0.802 119.878 119.070 0.010 0.000 2.610 735 H HA 0.635 5.191 4.556 -0.000 0.000 0.302 735 H C 0.474 175.805 175.328 0.006 0.000 1.063 735 H CA 0.007 56.059 56.048 0.006 0.000 1.159 735 H CB 0.086 29.850 29.762 0.004 0.000 1.427 735 H HN 0.877 nan 8.280 nan 0.000 0.553 736 A N 1.178 124.046 122.820 0.079 0.000 2.489 736 A HA 0.499 4.819 4.320 -0.000 0.000 0.293 736 A C -1.613 175.990 177.584 0.033 0.000 1.004 736 A CA -0.805 51.263 52.037 0.052 0.000 0.626 736 A CB 0.804 19.834 19.000 0.051 0.000 1.345 736 A HN 0.293 nan 8.150 nan 0.000 0.447 737 I N -1.633 118.958 120.570 0.036 0.000 2.894 737 I HA 0.812 4.982 4.170 -0.000 0.000 0.302 737 I C -2.904 173.253 176.117 0.067 0.000 1.188 737 I CA -2.615 58.708 61.300 0.038 0.000 1.014 737 I CB 2.285 40.300 38.000 0.025 0.000 1.242 737 I HN 0.428 nan 8.210 nan 0.000 0.430 738 P HA 0.001 nan 4.420 nan 0.000 0.267 738 P C -1.252 176.151 177.300 0.171 0.000 1.201 738 P CA 0.404 63.579 63.100 0.125 0.000 0.775 738 P CB 0.134 31.885 31.700 0.085 0.000 0.854 739 H N 2.138 121.250 119.070 0.070 0.000 2.661 739 H HA 0.291 4.847 4.556 -0.000 0.000 0.290 739 H C -0.683 174.682 175.328 0.062 0.000 1.082 739 H CA -1.128 54.951 56.048 0.050 0.000 1.234 739 H CB 0.479 30.265 29.762 0.040 0.000 1.387 739 H HN 0.205 nan 8.280 nan 0.000 0.476 740 L N 5.884 127.083 121.223 -0.040 0.000 2.385 740 L HA 0.184 4.524 4.340 -0.000 0.000 0.281 740 L C -0.481 176.259 176.870 -0.217 0.000 1.106 740 L CA 0.360 55.139 54.840 -0.103 0.000 0.856 740 L CB 0.727 42.748 42.059 -0.063 0.000 1.186 740 L HN 0.494 nan 8.230 nan 0.000 0.453 741 T N 3.676 118.127 114.554 -0.171 0.000 2.859 741 T HA 0.553 4.903 4.350 -0.000 0.000 0.281 741 T C -0.235 174.503 174.700 0.062 0.000 1.005 741 T CA -0.351 61.675 62.100 -0.123 0.000 1.025 741 T CB 1.261 70.046 68.868 -0.139 0.000 0.977 741 T HN 0.662 nan 8.240 nan 0.000 0.458 742 T N 2.113 116.720 114.554 0.088 0.000 2.841 742 T HA 0.673 5.023 4.350 -0.000 0.000 0.283 742 T C -0.300 174.457 174.700 0.095 0.000 1.000 742 T CA -0.629 61.598 62.100 0.211 0.000 0.977 742 T CB 1.541 70.553 68.868 0.239 0.000 0.979 742 T HN 0.641 nan 8.240 nan 0.000 0.446 743 S N 1.599 117.325 115.700 0.043 0.000 2.811 743 S HA 0.453 4.923 4.470 -0.000 0.000 0.311 743 S C 0.793 175.354 174.600 -0.066 0.000 1.152 743 S CA -0.721 57.470 58.200 -0.016 0.000 0.864 743 S CB 1.423 64.607 63.200 -0.027 0.000 1.226 743 S HN 0.622 nan 8.310 nan 0.000 0.541 744 E N 0.471 120.635 120.200 -0.060 0.000 2.046 744 E HA -0.074 4.276 4.350 -0.000 0.000 0.190 744 E C 1.839 178.362 176.600 -0.128 0.000 0.982 744 E CA 1.240 57.596 56.400 -0.073 0.000 0.800 744 E CB -0.208 29.467 29.700 -0.041 0.000 0.756 744 E HN 0.644 nan 8.360 nan 0.000 0.449 745 M N 0.939 120.471 119.600 -0.115 0.000 2.419 745 M HA 0.028 4.508 4.480 -0.000 0.000 0.264 745 M C 0.094 176.278 176.300 -0.193 0.000 1.082 745 M CA 0.842 56.069 55.300 -0.121 0.000 1.119 745 M CB -0.667 31.896 32.600 -0.061 0.000 1.398 745 M HN 0.020 nan 8.290 nan 0.000 0.453 746 D N -1.160 119.084 120.400 -0.260 0.000 2.692 746 D HA 0.508 5.148 4.640 -0.000 0.000 0.303 746 D C -1.347 174.706 176.300 -0.413 0.000 1.278 746 D CA -0.710 53.091 54.000 -0.331 0.000 0.852 746 D CB 0.632 41.394 40.800 -0.063 0.000 1.375 746 D HN -0.151 nan 8.370 nan 0.000 0.453 747 F N -0.239 119.777 119.950 0.109 0.000 2.482 747 F HA 0.572 5.099 4.527 -0.000 0.000 0.331 747 F C -0.257 175.632 175.800 0.148 0.000 1.115 747 F CA -1.345 56.705 58.000 0.083 0.000 0.955 747 F CB 1.926 40.949 39.000 0.038 0.000 1.136 747 F HN 0.465 nan 8.300 nan 0.000 0.452 748 C N 4.828 124.292 119.300 0.274 0.000 2.382 748 C HA 0.791 5.251 4.460 -0.000 0.000 0.327 748 C C -0.523 174.585 174.990 0.197 0.000 1.250 748 C CA -0.490 58.660 59.018 0.219 0.000 1.707 748 C CB 0.253 28.039 27.740 0.078 0.000 2.272 748 C HN 0.523 nan 8.230 nan 0.000 0.506 749 I N 3.575 124.327 120.570 0.304 0.000 2.493 749 I HA 0.595 4.765 4.170 -0.000 0.000 0.298 749 I C 0.061 176.388 176.117 0.351 0.000 0.998 749 I CA -0.493 60.990 61.300 0.305 0.000 1.137 749 I CB 1.495 39.728 38.000 0.389 0.000 1.310 749 I HN 0.672 nan 8.210 nan 0.000 0.445 750 E N 4.401 124.762 120.200 0.270 0.000 2.393 750 E HA 0.805 5.155 4.350 -0.000 0.000 0.273 750 E C -1.832 174.919 176.600 0.253 0.000 0.918 750 E CA -0.757 55.773 56.400 0.216 0.000 0.773 750 E CB 2.578 32.340 29.700 0.104 0.000 1.275 750 E HN 0.516 nan 8.360 nan 0.000 0.451 751 L N 3.616 124.945 121.223 0.178 0.000 2.929 751 L HA 0.438 4.778 4.340 -0.000 0.000 0.246 751 L C -0.072 176.842 176.870 0.074 0.000 0.960 751 L CA 0.650 55.589 54.840 0.164 0.000 1.056 751 L CB 0.705 42.919 42.059 0.259 0.000 1.437 751 L HN 0.821 nan 8.230 nan 0.000 0.514 752 G N 3.672 112.497 108.800 0.042 0.000 2.566 752 G HA2 -0.415 3.545 3.960 -0.000 0.000 0.280 752 G HA3 -0.415 3.545 3.960 -0.000 0.000 0.280 752 G C 0.554 175.434 174.900 -0.033 0.000 1.225 752 G CA 0.597 45.701 45.100 0.005 0.000 0.966 752 G HN 1.099 nan 8.290 nan 0.000 0.560 753 N N 0.827 119.495 118.700 -0.053 0.000 2.512 753 N HA 0.042 4.782 4.740 -0.000 0.000 0.183 753 N C 0.702 176.129 175.510 -0.138 0.000 1.073 753 N CA 1.356 54.356 53.050 -0.083 0.000 0.911 753 N CB -0.012 38.431 38.487 -0.074 0.000 0.964 753 N HN 0.723 nan 8.380 nan 0.000 0.447 754 K N 0.494 120.780 120.400 -0.190 0.000 2.201 754 K HA 0.362 4.682 4.320 -0.000 0.000 0.278 754 K C -0.204 176.100 176.600 -0.494 0.000 1.027 754 K CA -0.320 55.704 56.287 -0.439 0.000 0.909 754 K CB 1.372 33.541 32.500 -0.553 0.000 1.062 754 K HN 0.037 nan 8.250 nan 0.000 0.465 755 R N 2.137 122.284 120.500 -0.587 0.000 2.628 755 R HA 0.401 4.741 4.340 -0.000 0.000 0.288 755 R C -1.230 174.828 176.300 -0.403 0.000 0.980 755 R CA -0.793 55.127 56.100 -0.300 0.000 0.891 755 R CB 1.677 31.927 30.300 -0.082 0.000 1.188 755 R HN 0.548 nan 8.270 nan 0.000 0.450 756 W N 2.867 124.269 121.300 0.170 0.000 2.619 756 W HA 0.290 4.950 4.660 -0.000 0.000 0.327 756 W C -0.458 176.158 176.519 0.162 0.000 1.027 756 W CA -0.534 56.869 57.345 0.096 0.000 1.233 756 W CB 2.035 31.545 29.460 0.084 0.000 1.370 756 W HN 0.436 nan 8.180 nan 0.000 0.453 757 Q N 3.042 122.996 119.800 0.256 0.000 2.333 757 Q HA 0.416 4.756 4.340 -0.000 0.000 0.268 757 Q C -1.745 174.255 176.000 -0.001 0.000 1.007 757 Q CA -0.491 55.460 55.803 0.247 0.000 0.810 757 Q CB 1.088 30.035 28.738 0.348 0.000 1.264 757 Q HN 0.307 nan 8.270 nan 0.000 0.452 758 F N 3.563 123.601 119.950 0.146 0.000 2.334 758 F HA 0.253 4.780 4.527 -0.000 0.000 0.367 758 F C 0.818 176.635 175.800 0.028 0.000 1.115 758 F CA -0.813 57.245 58.000 0.097 0.000 1.116 758 F CB 0.740 39.814 39.000 0.123 0.000 1.230 758 F HN 0.562 nan 8.300 nan 0.000 0.484 759 N N 3.369 122.155 118.700 0.142 0.000 2.407 759 N HA -0.007 4.733 4.740 -0.000 0.000 0.250 759 N C 1.086 176.577 175.510 -0.031 0.000 1.236 759 N CA 0.241 53.316 53.050 0.042 0.000 0.879 759 N CB 0.724 39.246 38.487 0.059 0.000 1.088 759 N HN 0.697 nan 8.380 nan 0.000 0.450 760 R N 1.788 122.189 120.500 -0.166 0.000 2.153 760 R HA -0.061 4.279 4.340 -0.000 0.000 0.218 760 R C 1.579 177.810 176.300 -0.114 0.000 1.072 760 R CA 1.282 57.236 56.100 -0.243 0.000 0.990 760 R CB 0.214 30.247 30.300 -0.444 0.000 0.889 760 R HN 0.664 nan 8.270 nan 0.000 0.452 761 Q N -0.699 119.059 119.800 -0.071 0.000 2.089 761 Q HA -0.044 4.296 4.340 -0.000 0.000 0.195 761 Q C 2.067 178.050 176.000 -0.027 0.000 0.963 761 Q CA 1.675 57.453 55.803 -0.042 0.000 0.834 761 Q CB 0.015 28.740 28.738 -0.021 0.000 0.906 761 Q HN 0.220 nan 8.270 nan 0.000 0.452 762 S N -0.551 115.153 115.700 0.008 0.000 2.436 762 S HA 0.116 4.586 4.470 -0.000 0.000 0.228 762 S C 1.637 176.147 174.600 -0.150 0.000 1.014 762 S CA 0.562 58.777 58.200 0.026 0.000 0.950 762 S CB -0.198 63.117 63.200 0.191 0.000 0.784 762 S HN 0.557 nan 8.310 nan 0.000 0.504 763 G N 0.269 109.001 108.800 -0.113 0.000 2.137 763 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.237 763 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.237 763 G C -0.251 174.532 174.900 -0.196 0.000 1.002 763 G CA 0.246 45.257 45.100 -0.149 0.000 0.702 763 G HN 0.472 nan 8.290 nan 0.000 0.515 764 F N -1.280 118.852 119.950 0.304 0.000 2.563 764 F HA 0.632 5.159 4.527 -0.000 0.000 0.316 764 F C 0.391 176.205 175.800 0.024 0.000 1.076 764 F CA -1.840 56.300 58.000 0.232 0.000 0.921 764 F CB 1.543 40.624 39.000 0.136 0.000 1.209 764 F HN 0.030 nan 8.300 nan 0.000 0.462 765 L N 2.594 123.808 121.223 -0.014 0.000 2.774 765 L HA 0.093 4.433 4.340 -0.000 0.000 0.279 765 L C 1.022 177.784 176.870 -0.179 0.000 1.137 765 L CA 0.602 55.079 54.840 -0.606 0.000 1.021 765 L CB -0.192 41.489 42.059 -0.629 0.000 1.366 765 L HN 0.700 nan 8.230 nan 0.000 0.471 766 S N 2.463 118.083 115.700 -0.135 0.000 2.540 766 S HA 0.308 4.778 4.470 -0.000 0.000 0.218 766 S C 0.359 174.871 174.600 -0.147 0.000 0.977 766 S CA -0.106 58.058 58.200 -0.060 0.000 0.918 766 S CB 0.118 63.331 63.200 0.022 0.000 0.806 766 S HN 0.720 nan 8.310 nan 0.000 0.496 767 Q N 0.164 119.825 119.800 -0.231 0.000 2.647 767 Q HA 0.669 5.009 4.340 -0.000 0.000 0.283 767 Q C -1.722 173.969 176.000 -0.515 0.000 0.943 767 Q CA -0.440 55.104 55.803 -0.432 0.000 0.813 767 Q CB 1.592 29.984 28.738 -0.576 0.000 1.477 767 Q HN 0.504 nan 8.270 nan 0.000 0.393 768 M N 1.588 120.706 119.600 -0.802 0.000 2.413 768 M HA 0.763 5.243 4.480 -0.000 0.000 0.287 768 M C -2.169 173.695 176.300 -0.727 0.000 1.186 768 M CA -0.138 54.795 55.300 -0.611 0.000 0.927 768 M CB 1.714 34.043 32.600 -0.451 0.000 1.715 768 M HN 0.569 nan 8.290 nan 0.000 0.478 769 W N 5.170 126.238 121.300 -0.386 0.000 2.844 769 W HA 0.681 5.341 4.660 -0.000 0.000 0.340 769 W C -1.399 174.913 176.519 -0.344 0.000 1.093 769 W CA -0.767 56.400 57.345 -0.297 0.000 1.212 769 W CB 1.927 31.241 29.460 -0.245 0.000 1.422 769 W HN 0.573 nan 8.180 nan 0.000 0.515 770 I N 3.019 123.582 120.570 -0.011 0.000 2.476 770 I HA 0.410 4.580 4.170 -0.000 0.000 0.281 770 I C 0.760 176.864 176.117 -0.021 0.000 1.040 770 I CA -0.327 60.923 61.300 -0.084 0.000 1.094 770 I CB 1.072 38.992 38.000 -0.133 0.000 1.219 770 I HN 0.679 nan 8.210 nan 0.000 0.450 771 G N 6.155 114.935 108.800 -0.034 0.000 2.596 771 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.295 771 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.295 771 G C 0.231 175.147 174.900 0.026 0.000 1.240 771 G CA 0.881 45.967 45.100 -0.024 0.000 0.985 771 G HN 0.818 nan 8.290 nan 0.000 0.555 772 D N 0.717 121.135 120.400 0.031 0.000 2.340 772 D HA 0.237 4.877 4.640 -0.000 0.000 0.220 772 D C 0.939 177.336 176.300 0.162 0.000 1.039 772 D CA 0.498 54.541 54.000 0.071 0.000 0.866 772 D CB 0.159 40.970 40.800 0.019 0.000 0.913 772 D HN 0.503 nan 8.370 nan 0.000 0.523 773 K N 1.138 121.611 120.400 0.120 0.000 2.273 773 K HA 0.176 4.496 4.320 -0.000 0.000 0.287 773 K C -0.119 176.463 176.600 -0.030 0.000 1.089 773 K CA -0.397 55.916 56.287 0.042 0.000 0.909 773 K CB 0.732 33.223 32.500 -0.015 0.000 1.123 773 K HN -0.071 nan 8.250 nan 0.000 0.473 774 K N 2.108 122.426 120.400 -0.137 0.000 2.350 774 K HA 0.007 4.327 4.320 -0.000 0.000 0.279 774 K C 0.803 177.200 176.600 -0.338 0.000 1.027 774 K CA 0.020 56.018 56.287 -0.483 0.000 0.969 774 K CB 0.794 33.070 32.500 -0.373 0.000 0.954 774 K HN 0.439 nan 8.250 nan 0.000 0.474 775 Q N 1.987 121.557 119.800 -0.385 0.000 2.352 775 Q HA 0.179 4.519 4.340 -0.000 0.000 0.212 775 Q C -0.138 175.766 176.000 -0.159 0.000 0.888 775 Q CA 0.405 56.102 55.803 -0.178 0.000 0.934 775 Q CB 0.528 29.227 28.738 -0.065 0.000 1.093 775 Q HN 0.497 nan 8.270 nan 0.000 0.523 776 L N 0.470 121.545 121.223 -0.246 0.000 2.362 776 L HA 0.365 4.705 4.340 -0.000 0.000 0.271 776 L C 0.734 177.470 176.870 -0.224 0.000 1.002 776 L CA -0.389 54.326 54.840 -0.207 0.000 0.818 776 L CB 1.715 43.657 42.059 -0.196 0.000 1.298 776 L HN -0.076 nan 8.230 nan 0.000 0.420 777 L N 0.582 121.664 121.223 -0.236 0.000 2.515 777 L HA 0.247 4.587 4.340 -0.000 0.000 0.223 777 L C 0.446 177.188 176.870 -0.214 0.000 1.079 777 L CA 0.791 55.493 54.840 -0.229 0.000 0.857 777 L CB 0.673 42.577 42.059 -0.258 0.000 1.050 777 L HN 0.602 nan 8.230 nan 0.000 0.476 778 T N -0.482 113.928 114.554 -0.240 0.000 2.894 778 T HA 0.406 4.756 4.350 -0.000 0.000 0.309 778 T C -2.656 171.962 174.700 -0.136 0.000 1.208 778 T CA -1.097 60.901 62.100 -0.171 0.000 1.016 778 T CB 2.361 71.092 68.868 -0.227 0.000 1.192 778 T HN -0.270 nan 8.240 nan 0.000 0.491 779 P HA 0.319 nan 4.420 nan 0.000 0.274 779 P C -0.804 176.427 177.300 -0.115 0.000 1.246 779 P CA -0.690 62.365 63.100 -0.075 0.000 0.795 779 P CB 0.502 32.193 31.700 -0.015 0.000 1.006 780 L N 2.516 123.702 121.223 -0.061 0.000 2.313 780 L HA 0.240 4.580 4.340 -0.000 0.000 0.282 780 L C 0.609 177.312 176.870 -0.278 0.000 1.092 780 L CA 0.496 55.309 54.840 -0.046 0.000 0.831 780 L CB -0.453 41.701 42.059 0.159 0.000 1.159 780 L HN 0.407 nan 8.230 nan 0.000 0.442 781 R N 2.012 122.295 120.500 -0.362 0.000 2.799 781 R HA 0.610 4.950 4.340 -0.000 0.000 0.270 781 R C -1.257 174.869 176.300 -0.290 0.000 1.010 781 R CA -1.152 54.578 56.100 -0.616 0.000 0.916 781 R CB 0.737 30.503 30.300 -0.891 0.000 1.228 781 R HN 0.392 nan 8.270 nan 0.000 0.469 782 D N 0.836 121.132 120.400 -0.173 0.000 2.382 782 D HA 0.095 4.735 4.640 -0.000 0.000 0.240 782 D C -0.611 175.251 176.300 -0.730 0.000 1.146 782 D CA -0.003 53.754 54.000 -0.405 0.000 0.897 782 D CB 0.643 41.201 40.800 -0.402 0.000 1.197 782 D HN 0.317 nan 8.370 nan 0.000 0.432 783 Q N 0.491 119.644 119.800 -1.078 0.000 2.274 783 Q HA 0.332 4.672 4.340 -0.000 0.000 0.268 783 Q C -1.175 174.056 176.000 -1.283 0.000 1.015 783 Q CA -0.574 54.654 55.803 -0.957 0.000 0.775 783 Q CB 0.834 29.264 28.738 -0.515 0.000 1.256 783 Q HN 0.454 nan 8.270 nan 0.000 0.442 784 F N 0.423 119.994 119.950 -0.633 0.000 2.688 784 F HA 0.185 4.712 4.527 -0.000 0.000 0.310 784 F C 0.775 176.154 175.800 -0.702 0.000 1.098 784 F CA -0.063 57.463 58.000 -0.790 0.000 1.228 784 F CB 1.072 39.296 39.000 -1.293 0.000 1.042 784 F HN 0.408 nan 8.300 nan 0.000 0.557 785 T N -0.940 113.311 114.554 -0.504 0.000 2.773 785 T HA 0.824 5.174 4.350 -0.000 0.000 0.278 785 T C -0.557 173.898 174.700 -0.408 0.000 1.011 785 T CA -0.961 60.788 62.100 -0.585 0.000 1.014 785 T CB 2.820 71.249 68.868 -0.733 0.000 1.293 785 T HN 0.241 nan 8.240 nan 0.000 0.554 786 R N -0.633 119.686 120.500 -0.302 0.000 2.629 786 R HA 0.686 5.026 4.340 -0.000 0.000 0.266 786 R C -1.332 175.007 176.300 0.065 0.000 1.051 786 R CA -1.028 55.008 56.100 -0.107 0.000 0.895 786 R CB 1.284 31.521 30.300 -0.105 0.000 1.246 786 R HN 0.879 nan 8.270 nan 0.000 0.459 787 A N 4.300 127.144 122.820 0.041 0.000 2.545 787 A HA 0.315 4.635 4.320 -0.000 0.000 0.297 787 A C -1.948 175.671 177.584 0.059 0.000 1.340 787 A CA -1.442 50.612 52.037 0.029 0.000 1.016 787 A CB -0.584 18.378 19.000 -0.064 0.000 1.122 787 A HN 0.581 nan 8.150 nan 0.000 0.537 788 P HA -0.144 nan 4.420 nan 0.000 0.258 788 P C -0.092 177.294 177.300 0.144 0.000 1.128 788 P CA 0.888 64.117 63.100 0.215 0.000 0.760 788 P CB 0.081 31.922 31.700 0.235 0.000 0.715 789 L N 3.114 124.401 121.223 0.107 0.000 2.472 789 L HA 0.073 4.413 4.340 -0.000 0.000 0.260 789 L C 1.946 178.827 176.870 0.017 0.000 1.209 789 L CA -0.131 54.714 54.840 0.008 0.000 0.817 789 L CB 0.083 42.099 42.059 -0.072 0.000 1.106 789 L HN 0.345 nan 8.230 nan 0.000 0.479 790 D N 0.448 120.800 120.400 -0.080 0.000 2.149 790 D HA -0.155 4.485 4.640 -0.000 0.000 0.198 790 D C 1.508 177.713 176.300 -0.157 0.000 0.990 790 D CA 1.321 55.199 54.000 -0.203 0.000 0.839 790 D CB 0.103 40.678 40.800 -0.375 0.000 0.948 790 D HN 0.488 nan 8.370 nan 0.000 0.460 791 N N 1.197 119.819 118.700 -0.130 0.000 2.364 791 N HA -0.109 4.631 4.740 -0.000 0.000 0.183 791 N C 1.127 176.624 175.510 -0.022 0.000 1.022 791 N CA 0.667 53.661 53.050 -0.093 0.000 0.883 791 N CB -0.129 38.294 38.487 -0.106 0.000 0.965 791 N HN 0.306 nan 8.380 nan 0.000 0.438 792 D N 0.472 120.877 120.400 0.008 0.000 2.194 792 D HA 0.053 4.693 4.640 -0.000 0.000 0.204 792 D C 2.013 178.358 176.300 0.074 0.000 0.964 792 D CA 0.431 54.478 54.000 0.079 0.000 0.846 792 D CB 0.197 41.110 40.800 0.188 0.000 0.962 792 D HN 0.341 nan 8.370 nan 0.000 0.490 793 I N 0.224 120.822 120.570 0.046 0.000 2.400 793 I HA 0.071 4.241 4.170 -0.000 0.000 0.248 793 I C 1.966 178.099 176.117 0.026 0.000 1.109 793 I CA 0.659 61.980 61.300 0.034 0.000 1.425 793 I CB -0.485 37.524 38.000 0.015 0.000 1.094 793 I HN 0.041 nan 8.210 nan 0.000 0.425 794 G N 1.748 110.565 108.800 0.029 0.000 2.565 794 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.295 794 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.295 794 G C 0.668 175.726 174.900 0.263 0.000 1.165 794 G CA 0.989 46.164 45.100 0.124 0.000 0.977 794 G HN 0.568 nan 8.290 nan 0.000 0.546 795 V N -2.212 117.811 119.914 0.181 0.000 3.319 795 V HA 0.678 4.798 4.120 -0.000 0.000 0.317 795 V C 1.049 177.189 176.094 0.076 0.000 1.411 795 V CA 0.967 63.359 62.300 0.153 0.000 1.112 795 V CB 0.287 32.124 31.823 0.023 0.000 1.031 795 V HN 0.977 nan 8.190 nan 0.000 0.448 796 S N 1.307 117.042 115.700 0.059 0.000 2.562 796 S HA 0.398 4.868 4.470 -0.000 0.000 0.281 796 S C -0.133 174.492 174.600 0.042 0.000 1.333 796 S CA 0.196 58.416 58.200 0.033 0.000 1.052 796 S CB 0.578 63.790 63.200 0.020 0.000 0.884 796 S HN 0.797 nan 8.310 nan 0.000 0.506 797 E N 0.698 120.917 120.200 0.033 0.000 2.366 797 E HA 0.506 4.856 4.350 -0.000 0.000 0.278 797 E C 0.547 177.167 176.600 0.035 0.000 0.923 797 E CA -0.448 55.976 56.400 0.039 0.000 0.761 797 E CB 1.537 31.258 29.700 0.035 0.000 1.231 797 E HN 0.613 nan 8.360 nan 0.000 0.443 798 A N 1.441 124.286 122.820 0.043 0.000 1.894 798 A HA -0.309 4.011 4.320 -0.000 0.000 0.220 798 A C 2.017 179.619 177.584 0.030 0.000 1.237 798 A CA 3.146 55.206 52.037 0.038 0.000 0.660 798 A CB -1.500 17.526 19.000 0.044 0.000 0.835 798 A HN 0.797 nan 8.150 nan 0.000 0.461 799 T N -2.263 112.309 114.554 0.029 0.000 2.708 799 T HA -0.058 4.292 4.350 -0.000 0.000 0.266 799 T C 1.087 175.795 174.700 0.013 0.000 1.037 799 T CA 1.361 63.474 62.100 0.021 0.000 1.146 799 T CB -0.171 68.709 68.868 0.021 0.000 0.865 799 T HN 0.375 nan 8.240 nan 0.000 0.435 800 R N 0.524 121.031 120.500 0.011 0.000 2.246 800 R HA 0.625 4.965 4.340 -0.000 0.000 0.332 800 R C -1.126 175.177 176.300 0.004 0.000 0.974 800 R CA -0.334 55.767 56.100 0.002 0.000 0.837 800 R CB 0.951 31.246 30.300 -0.009 0.000 1.145 800 R HN 0.348 nan 8.270 nan 0.000 0.467 801 I N 1.874 122.445 120.570 0.001 0.000 2.336 801 I HA 0.115 4.285 4.170 -0.000 0.000 0.292 801 I C -0.236 175.873 176.117 -0.014 0.000 0.991 801 I CA -0.365 60.935 61.300 -0.000 0.000 1.227 801 I CB 1.549 39.551 38.000 0.004 0.000 1.366 801 I HN 0.478 nan 8.210 nan 0.000 0.466 802 D N 9.242 129.631 120.400 -0.019 0.000 2.485 802 D HA 0.246 4.886 4.640 -0.000 0.000 0.221 802 D C -1.626 174.637 176.300 -0.062 0.000 1.112 802 D CA -2.375 51.603 54.000 -0.036 0.000 0.911 802 D CB 0.998 41.780 40.800 -0.030 0.000 1.019 802 D HN 0.169 nan 8.370 nan 0.000 0.516 803 P HA -0.154 nan 4.420 nan 0.000 0.228 803 P C 0.150 177.362 177.300 -0.147 0.000 1.143 803 P CA 0.793 63.840 63.100 -0.088 0.000 0.771 803 P CB 0.265 31.921 31.700 -0.074 0.000 0.764 804 N N -1.326 117.274 118.700 -0.167 0.000 2.197 804 N HA 0.120 4.860 4.740 -0.000 0.000 0.201 804 N C 0.611 175.912 175.510 -0.348 0.000 1.148 804 N CA -0.084 52.806 53.050 -0.266 0.000 0.883 804 N CB 0.458 38.808 38.487 -0.228 0.000 1.012 804 N HN 0.066 nan 8.380 nan 0.000 0.507 805 A N 0.238 122.922 122.820 -0.228 0.000 2.498 805 A HA 0.038 4.358 4.320 -0.000 0.000 0.239 805 A C 0.831 178.227 177.584 -0.313 0.000 1.068 805 A CA -0.207 51.708 52.037 -0.203 0.000 0.766 805 A CB 0.068 19.019 19.000 -0.081 0.000 1.003 805 A HN 0.328 nan 8.150 nan 0.000 0.497 806 W N 1.796 122.853 121.300 -0.405 0.000 2.317 806 W HA -0.203 4.457 4.660 -0.000 0.000 0.318 806 W C 2.227 178.202 176.519 -0.907 0.000 1.227 806 W CA 1.778 58.634 57.345 -0.815 0.000 1.269 806 W CB -0.484 28.404 29.460 -0.954 0.000 1.155 806 W HN 0.533 nan 8.180 nan 0.000 0.484 807 V N 0.779 120.601 119.914 -0.153 0.000 2.527 807 V HA -0.304 3.816 4.120 -0.000 0.000 0.255 807 V C 2.128 178.320 176.094 0.163 0.000 1.081 807 V CA 2.114 64.524 62.300 0.184 0.000 1.092 807 V CB -0.371 31.569 31.823 0.195 0.000 0.673 807 V HN 0.126 nan 8.190 nan 0.000 0.470 808 E N -0.428 119.768 120.200 -0.006 0.000 2.122 808 E HA -0.053 4.297 4.350 -0.000 0.000 0.190 808 E C 2.378 178.964 176.600 -0.025 0.000 0.977 808 E CA 0.680 57.079 56.400 -0.002 0.000 0.820 808 E CB -0.258 29.413 29.700 -0.049 0.000 0.770 808 E HN 0.593 nan 8.360 nan 0.000 0.462 809 R N -0.259 120.147 120.500 -0.156 0.000 2.092 809 R HA -0.108 4.232 4.340 -0.000 0.000 0.231 809 R C 2.152 178.427 176.300 -0.041 0.000 1.119 809 R CA 0.928 56.919 56.100 -0.180 0.000 0.970 809 R CB -0.157 29.904 30.300 -0.397 0.000 0.864 809 R HN 0.239 nan 8.270 nan 0.000 0.440 810 W N 1.805 123.061 121.300 -0.074 0.000 2.378 810 W HA -0.075 4.585 4.660 -0.000 0.000 0.313 810 W C 2.085 178.593 176.519 -0.019 0.000 1.197 810 W CA 0.722 57.939 57.345 -0.214 0.000 1.304 810 W CB -0.776 28.675 29.460 -0.014 0.000 1.148 810 W HN 0.048 nan 8.180 nan 0.000 0.494 811 K N 0.313 120.951 120.400 0.397 0.000 2.020 811 K HA -0.141 4.179 4.320 -0.000 0.000 0.212 811 K C 2.224 178.917 176.600 0.155 0.000 1.050 811 K CA 2.104 58.579 56.287 0.313 0.000 0.929 811 K CB -0.883 31.751 32.500 0.225 0.000 0.714 811 K HN 0.001 nan 8.250 nan 0.000 0.443 812 A N 1.194 124.078 122.820 0.107 0.000 2.024 812 A HA -0.130 4.190 4.320 -0.000 0.000 0.220 812 A C 2.199 179.822 177.584 0.065 0.000 1.164 812 A CA 1.887 53.969 52.037 0.076 0.000 0.643 812 A CB -0.630 18.399 19.000 0.049 0.000 0.806 812 A HN 0.374 nan 8.150 nan 0.000 0.451 813 A N -2.261 120.600 122.820 0.068 0.000 2.218 813 A HA 0.427 4.747 4.320 -0.000 0.000 0.209 813 A C 1.825 179.398 177.584 -0.018 0.000 1.168 813 A CA 1.139 53.241 52.037 0.109 0.000 0.804 813 A CB -0.699 18.409 19.000 0.180 0.000 0.834 813 A HN 1.846 nan 8.150 nan 0.000 0.482 814 G N -1.296 107.404 108.800 -0.166 0.000 2.176 814 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.253 814 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.253 814 G C 0.728 175.639 174.900 0.019 0.000 0.979 814 G CA 0.679 45.496 45.100 -0.471 0.000 0.641 814 G HN 0.713 nan 8.290 nan 0.000 0.530 815 H N -1.217 117.836 119.070 -0.028 0.000 2.400 815 H HA -0.204 4.352 4.556 -0.000 0.000 0.295 815 H C 2.115 177.374 175.328 -0.115 0.000 1.118 815 H CA 1.952 57.970 56.048 -0.050 0.000 1.256 815 H CB 0.017 29.656 29.762 -0.205 0.000 1.365 815 H HN 0.628 nan 8.280 nan 0.000 0.502 816 Y N 0.488 120.893 120.300 0.175 0.000 2.523 816 Y HA -0.038 4.512 4.550 -0.000 0.000 0.279 816 Y C 1.095 177.066 175.900 0.119 0.000 1.139 816 Y CA 0.431 58.597 58.100 0.110 0.000 1.296 816 Y CB 0.435 38.947 38.460 0.086 0.000 1.045 816 Y HN 0.319 nan 8.280 nan 0.000 0.538 817 Q N -0.463 119.486 119.800 0.248 0.000 2.333 817 Q HA 0.605 4.945 4.340 -0.000 0.000 0.365 817 Q C -0.460 175.714 176.000 0.289 0.000 0.882 817 Q CA -0.373 55.576 55.803 0.243 0.000 1.124 817 Q CB 0.742 29.614 28.738 0.224 0.000 1.345 817 Q HN 0.106 nan 8.270 nan 0.000 0.409 818 A N 1.108 124.121 122.820 0.323 0.000 2.304 818 A HA 0.481 4.801 4.320 -0.000 0.000 0.301 818 A C -0.201 177.645 177.584 0.437 0.000 1.132 818 A CA -0.554 51.733 52.037 0.418 0.000 0.819 818 A CB 0.620 19.944 19.000 0.539 0.000 1.094 818 A HN 0.325 nan 8.150 nan 0.000 0.492 819 E N 1.126 121.525 120.200 0.331 0.000 2.146 819 E HA 0.448 4.798 4.350 -0.000 0.000 0.282 819 E C -0.169 176.403 176.600 -0.046 0.000 0.989 819 E CA -0.273 56.232 56.400 0.175 0.000 0.799 819 E CB 1.718 31.489 29.700 0.120 0.000 1.088 819 E HN 0.690 nan 8.360 nan 0.000 0.397 820 A N 2.476 125.160 122.820 -0.225 0.000 2.388 820 A HA 0.579 4.899 4.320 -0.000 0.000 0.257 820 A C -0.200 177.228 177.584 -0.261 0.000 1.095 820 A CA -0.194 51.428 52.037 -0.691 0.000 0.791 820 A CB 0.571 19.192 19.000 -0.631 0.000 1.029 820 A HN 0.606 nan 8.150 nan 0.000 0.489 821 A N 2.060 124.735 122.820 -0.240 0.000 2.374 821 A HA 0.599 4.919 4.320 -0.000 0.000 0.305 821 A C -0.773 176.754 177.584 -0.095 0.000 1.053 821 A CA -0.544 51.434 52.037 -0.098 0.000 0.726 821 A CB 0.860 19.820 19.000 -0.066 0.000 1.229 821 A HN 1.137 nan 8.150 nan 0.000 0.431 822 L N 2.595 123.746 121.223 -0.120 0.000 2.371 822 L HA 0.435 4.775 4.340 -0.000 0.000 0.272 822 L C 0.425 177.189 176.870 -0.178 0.000 1.124 822 L CA -0.045 54.635 54.840 -0.267 0.000 0.816 822 L CB 0.611 42.505 42.059 -0.275 0.000 1.129 822 L HN 0.794 nan 8.230 nan 0.000 0.448 823 L N 2.741 123.843 121.223 -0.201 0.000 2.577 823 L HA 0.299 4.639 4.340 -0.000 0.000 0.225 823 L C 0.078 176.892 176.870 -0.093 0.000 1.053 823 L CA 0.055 54.832 54.840 -0.105 0.000 0.866 823 L CB 0.201 42.224 42.059 -0.061 0.000 1.132 823 L HN 0.770 nan 8.230 nan 0.000 0.486 824 Q N -0.154 119.568 119.800 -0.131 0.000 2.468 824 Q HA 0.357 4.697 4.340 -0.000 0.000 0.263 824 Q C -1.823 174.122 176.000 -0.091 0.000 0.979 824 Q CA -0.696 55.059 55.803 -0.081 0.000 0.932 824 Q CB 2.534 31.245 28.738 -0.045 0.000 1.462 824 Q HN 0.058 nan 8.270 nan 0.000 0.403 825 C N 2.745 122.025 119.300 -0.033 0.000 2.551 825 C HA 0.924 5.384 4.460 -0.000 0.000 0.332 825 C C -1.141 173.866 174.990 0.028 0.000 1.139 825 C CA 0.552 59.584 59.018 0.022 0.000 1.328 825 C CB 1.141 28.935 27.740 0.090 0.000 1.903 825 C HN 0.878 nan 8.230 nan 0.000 0.459 826 T N 3.458 117.973 114.554 -0.064 0.000 3.170 826 T HA 0.699 5.049 4.350 -0.000 0.000 0.315 826 T C -0.295 174.216 174.700 -0.315 0.000 0.967 826 T CA 0.172 62.178 62.100 -0.157 0.000 1.024 826 T CB 0.837 69.650 68.868 -0.092 0.000 1.018 826 T HN 1.671 nan 8.240 nan 0.000 0.449 827 A N 3.304 125.776 122.820 -0.581 0.000 2.304 827 A HA 0.784 5.104 4.320 -0.000 0.000 0.271 827 A C -0.127 177.252 177.584 -0.341 0.000 1.091 827 A CA -0.351 51.328 52.037 -0.596 0.000 0.812 827 A CB 0.531 18.954 19.000 -0.962 0.000 1.056 827 A HN 0.903 nan 8.150 nan 0.000 0.489 828 D N -0.671 119.573 120.400 -0.260 0.000 2.745 828 D HA 0.370 5.009 4.640 -0.000 0.000 0.221 828 D C -1.468 174.761 176.300 -0.119 0.000 1.237 828 D CA -0.084 53.819 54.000 -0.160 0.000 0.781 828 D CB 2.051 42.775 40.800 -0.125 0.000 1.575 828 D HN 0.449 nan 8.370 nan 0.000 0.482 829 T N 1.704 116.211 114.554 -0.078 0.000 2.770 829 T HA 0.586 4.936 4.350 -0.000 0.000 0.283 829 T C -0.052 174.627 174.700 -0.035 0.000 0.988 829 T CA -0.571 61.500 62.100 -0.048 0.000 0.957 829 T CB 1.134 69.990 68.868 -0.020 0.000 0.930 829 T HN 0.067 nan 8.240 nan 0.000 0.443 830 L N 1.667 122.872 121.223 -0.031 0.000 2.331 830 L HA 0.704 5.044 4.340 -0.000 0.000 0.268 830 L C 1.699 178.561 176.870 -0.013 0.000 1.015 830 L CA -0.598 54.228 54.840 -0.023 0.000 0.807 830 L CB 0.398 42.442 42.059 -0.025 0.000 1.293 830 L HN 0.723 nan 8.230 nan 0.000 0.451 831 A N 0.390 123.205 122.820 -0.008 0.000 1.873 831 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 831 A C 1.227 178.811 177.584 -0.000 0.000 1.193 831 A CA 2.212 54.247 52.037 -0.002 0.000 0.629 831 A CB -0.835 18.165 19.000 -0.000 0.000 0.826 831 A HN 0.880 nan 8.150 nan 0.000 0.447 832 D N -1.380 119.018 120.400 -0.003 0.000 2.339 832 D HA 0.528 5.168 4.640 -0.000 0.000 0.217 832 D C 0.418 176.713 176.300 -0.009 0.000 1.050 832 D CA 0.782 54.780 54.000 -0.003 0.000 0.856 832 D CB 0.331 41.131 40.800 -0.001 0.000 0.922 832 D HN 0.588 nan 8.370 nan 0.000 0.518 833 A N -0.641 122.170 122.820 -0.015 0.000 2.438 833 A HA 0.574 4.894 4.320 -0.000 0.000 0.301 833 A C -1.859 175.702 177.584 -0.039 0.000 1.101 833 A CA -0.813 51.207 52.037 -0.028 0.000 0.621 833 A CB 0.738 19.717 19.000 -0.036 0.000 1.350 833 A HN -0.037 nan 8.150 nan 0.000 0.496 834 V N 0.820 120.697 119.914 -0.062 0.000 2.378 834 V HA 0.541 4.661 4.120 -0.000 0.000 0.288 834 V C -0.920 175.107 176.094 -0.112 0.000 1.016 834 V CA -0.250 61.998 62.300 -0.087 0.000 0.840 834 V CB 1.008 32.776 31.823 -0.090 0.000 0.994 834 V HN 0.755 nan 8.190 nan 0.000 0.431 835 L N 7.173 128.328 121.223 -0.113 0.000 2.265 835 L HA 0.627 4.967 4.340 -0.000 0.000 0.289 835 L C -0.545 176.232 176.870 -0.155 0.000 1.033 835 L CA 0.142 54.920 54.840 -0.104 0.000 0.814 835 L CB 0.800 42.815 42.059 -0.075 0.000 1.203 835 L HN 0.383 nan 8.230 nan 0.000 0.423 836 I N 3.723 124.200 120.570 -0.155 0.000 2.577 836 I HA 0.569 4.739 4.170 -0.000 0.000 0.305 836 I C 0.166 176.274 176.117 -0.015 0.000 0.986 836 I CA -0.569 60.603 61.300 -0.213 0.000 1.189 836 I CB 1.693 39.380 38.000 -0.521 0.000 1.355 836 I HN 0.504 nan 8.210 nan 0.000 0.476 837 T N 3.123 117.665 114.554 -0.020 0.000 3.170 837 T HA 0.452 4.802 4.350 -0.000 0.000 0.315 837 T C -0.203 174.534 174.700 0.061 0.000 0.967 837 T CA -0.585 61.541 62.100 0.044 0.000 1.024 837 T CB 1.215 70.076 68.868 -0.012 0.000 1.018 837 T HN 0.842 nan 8.240 nan 0.000 0.449 838 T N 0.244 114.885 114.554 0.144 0.000 2.942 838 T HA 0.922 5.272 4.350 -0.000 0.000 0.289 838 T C -0.650 174.090 174.700 0.067 0.000 1.044 838 T CA -1.116 61.037 62.100 0.088 0.000 1.023 838 T CB 2.103 71.094 68.868 0.206 0.000 1.123 838 T HN 0.747 nan 8.240 nan 0.000 0.512 839 A N 1.513 124.296 122.820 -0.062 0.000 2.550 839 A HA 0.618 4.938 4.320 -0.000 0.000 0.282 839 A C -1.299 176.223 177.584 -0.104 0.000 1.071 839 A CA -0.757 51.290 52.037 0.017 0.000 0.838 839 A CB 0.274 19.288 19.000 0.024 0.000 1.361 839 A HN 0.972 nan 8.150 nan 0.000 0.408 840 H N 0.641 119.761 119.070 0.083 0.000 2.569 840 H HA 0.800 5.356 4.556 -0.000 0.000 0.357 840 H C 0.229 175.570 175.328 0.022 0.000 1.153 840 H CA 0.326 56.342 56.048 -0.053 0.000 1.193 840 H CB 2.109 31.759 29.762 -0.187 0.000 1.602 840 H HN 0.945 nan 8.280 nan 0.000 0.523 841 A N 2.300 125.137 122.820 0.029 0.000 2.342 841 A HA 0.422 4.742 4.320 -0.000 0.000 0.323 841 A C -1.309 176.298 177.584 0.038 0.000 1.125 841 A CA -0.706 51.414 52.037 0.139 0.000 0.785 841 A CB 1.103 20.163 19.000 0.101 0.000 1.221 841 A HN 0.616 nan 8.150 nan 0.000 0.463 842 W N 1.536 122.947 121.300 0.185 0.000 2.429 842 W HA 0.507 5.167 4.660 -0.000 0.000 0.314 842 W C -0.252 176.297 176.519 0.049 0.000 1.062 842 W CA -0.166 57.289 57.345 0.183 0.000 1.211 842 W CB 1.829 31.484 29.460 0.324 0.000 1.305 842 W HN 0.779 nan 8.180 nan 0.000 0.476 843 Q N 0.946 120.909 119.800 0.272 0.000 2.553 843 Q HA 0.395 4.735 4.340 -0.000 0.000 0.293 843 Q C -1.157 174.987 176.000 0.240 0.000 1.038 843 Q CA -0.833 55.073 55.803 0.172 0.000 0.777 843 Q CB 3.828 32.625 28.738 0.099 0.000 1.487 843 Q HN 0.425 nan 8.270 nan 0.000 0.426 844 H N 1.035 120.145 119.070 0.068 0.000 3.087 844 H HA 0.086 4.642 4.556 -0.000 0.000 0.348 844 H C -1.039 174.325 175.328 0.059 0.000 1.092 844 H CA -0.071 56.026 56.048 0.081 0.000 1.285 844 H CB 1.338 31.162 29.762 0.104 0.000 1.875 844 H HN 0.817 nan 8.280 nan 0.000 0.512 845 Q N 2.992 122.521 119.800 -0.451 0.000 2.411 845 Q HA -0.266 4.074 4.340 -0.000 0.000 0.305 845 Q C 0.916 176.858 176.000 -0.096 0.000 1.273 845 Q CA 1.234 56.858 55.803 -0.297 0.000 0.895 845 Q CB -1.424 27.111 28.738 -0.338 0.000 1.198 845 Q HN 1.129 nan 8.270 nan 0.000 0.470 846 G N -0.296 108.475 108.800 -0.048 0.000 2.195 846 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.246 846 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.246 846 G C 0.003 174.910 174.900 0.011 0.000 0.984 846 G CA 0.484 45.578 45.100 -0.011 0.000 0.633 846 G HN 0.390 nan 8.290 nan 0.000 0.525 847 K N 0.834 121.249 120.400 0.026 0.000 2.207 847 K HA 0.649 4.969 4.320 -0.000 0.000 0.255 847 K C -0.365 176.249 176.600 0.023 0.000 0.941 847 K CA -0.303 56.002 56.287 0.029 0.000 0.825 847 K CB 1.142 33.666 32.500 0.041 0.000 1.119 847 K HN -0.011 nan 8.250 nan 0.000 0.430 848 T N 5.270 119.822 114.554 -0.004 0.000 2.727 848 T HA 0.217 4.567 4.350 -0.000 0.000 0.298 848 T C 1.198 175.803 174.700 -0.158 0.000 0.942 848 T CA -0.482 61.602 62.100 -0.026 0.000 0.997 848 T CB 0.474 69.347 68.868 0.010 0.000 0.917 848 T HN 0.526 nan 8.240 nan 0.000 0.487 849 L N 2.260 123.265 121.223 -0.363 0.000 2.034 849 L HA 0.273 4.613 4.340 -0.000 0.000 0.203 849 L C -0.039 176.023 176.870 -1.346 0.000 1.074 849 L CA 1.078 55.305 54.840 -1.022 0.000 0.748 849 L CB -0.085 41.078 42.059 -1.492 0.000 0.905 849 L HN 0.517 nan 8.230 nan 0.000 0.439 850 F N -1.568 118.317 119.950 -0.107 0.000 2.626 850 F HA 0.566 5.093 4.527 -0.000 0.000 0.311 850 F C -0.514 175.379 175.800 0.155 0.000 1.088 850 F CA -0.886 57.008 58.000 -0.177 0.000 0.949 850 F CB 1.566 40.089 39.000 -0.796 0.000 1.322 850 F HN -0.302 nan 8.300 nan 0.000 0.461 851 I N 1.590 122.367 120.570 0.345 0.000 2.411 851 I HA 0.309 4.479 4.170 -0.000 0.000 0.284 851 I C -0.603 175.764 176.117 0.417 0.000 1.012 851 I CA -0.412 61.118 61.300 0.383 0.000 1.119 851 I CB 1.822 39.959 38.000 0.229 0.000 1.261 851 I HN 0.579 nan 8.210 nan 0.000 0.448 852 S N 6.746 122.813 115.700 0.612 0.000 2.462 852 S HA 0.592 5.062 4.470 -0.000 0.000 0.294 852 S C -0.464 174.376 174.600 0.401 0.000 1.144 852 S CA -0.549 57.977 58.200 0.545 0.000 1.088 852 S CB 0.692 64.365 63.200 0.788 0.000 1.009 852 S HN 0.537 nan 8.310 nan 0.000 0.484 853 R N 3.149 123.818 120.500 0.281 0.000 2.502 853 R HA 0.477 4.817 4.340 -0.000 0.000 0.300 853 R C -0.973 175.406 176.300 0.130 0.000 0.984 853 R CA -0.713 55.506 56.100 0.199 0.000 0.882 853 R CB 1.838 32.226 30.300 0.147 0.000 1.180 853 R HN 0.591 nan 8.270 nan 0.000 0.444 854 K N 0.413 120.875 120.400 0.105 0.000 2.433 854 K HA 0.552 4.872 4.320 -0.000 0.000 0.252 854 K C -0.767 175.792 176.600 -0.068 0.000 1.015 854 K CA -1.045 55.213 56.287 -0.048 0.000 0.860 854 K CB 2.209 34.601 32.500 -0.180 0.000 1.359 854 K HN 0.497 nan 8.250 nan 0.000 0.452 855 T N -0.947 113.493 114.554 -0.189 0.000 2.949 855 T HA 0.471 4.821 4.350 -0.000 0.000 0.300 855 T C -1.365 173.250 174.700 -0.142 0.000 0.988 855 T CA -0.731 61.317 62.100 -0.087 0.000 0.993 855 T CB 0.086 68.941 68.868 -0.022 0.000 0.984 855 T HN 0.405 nan 8.240 nan 0.000 0.442 856 Y N 1.877 122.173 120.300 -0.008 0.000 2.360 856 Y HA 0.697 5.247 4.550 -0.000 0.000 0.337 856 Y C 0.646 176.499 175.900 -0.079 0.000 1.039 856 Y CA -1.404 56.698 58.100 0.004 0.000 1.109 856 Y CB 1.581 40.094 38.460 0.087 0.000 1.201 856 Y HN 0.727 nan 8.280 nan 0.000 0.458 857 R N 4.208 124.748 120.500 0.067 0.000 2.422 857 R HA 0.575 4.915 4.340 -0.000 0.000 0.307 857 R C -1.724 174.527 176.300 -0.081 0.000 1.004 857 R CA -0.267 55.820 56.100 -0.022 0.000 0.882 857 R CB 0.468 30.761 30.300 -0.012 0.000 1.164 857 R HN 0.783 nan 8.270 nan 0.000 0.489 858 I N 4.444 124.914 120.570 -0.167 0.000 2.385 858 I HA 0.303 4.473 4.170 -0.000 0.000 0.294 858 I C -0.142 175.882 176.117 -0.156 0.000 0.988 858 I CA -0.670 60.462 61.300 -0.281 0.000 1.265 858 I CB 1.407 39.096 38.000 -0.518 0.000 1.388 858 I HN 0.693 nan 8.210 nan 0.000 0.480 859 D N 4.021 124.353 120.400 -0.113 0.000 2.566 859 D HA 0.197 4.837 4.640 -0.000 0.000 0.254 859 D C 0.985 177.272 176.300 -0.022 0.000 1.090 859 D CA -0.666 53.304 54.000 -0.051 0.000 1.034 859 D CB 1.506 42.287 40.800 -0.032 0.000 1.434 859 D HN 0.563 nan 8.370 nan 0.000 0.509 860 G N -0.345 108.448 108.800 -0.011 0.000 2.568 860 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.220 860 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.220 860 G C 1.068 175.964 174.900 -0.007 0.000 1.104 860 G CA 1.042 46.138 45.100 -0.006 0.000 0.738 860 G HN 0.418 nan 8.290 nan 0.000 0.574 861 S N -0.658 115.039 115.700 -0.004 0.000 2.501 861 S HA 0.319 4.789 4.470 -0.000 0.000 0.220 861 S C 1.965 176.589 174.600 0.040 0.000 0.997 861 S CA 0.906 59.108 58.200 0.005 0.000 0.919 861 S CB 0.140 63.342 63.200 0.003 0.000 0.778 861 S HN 1.247 nan 8.310 nan 0.000 0.523 862 G N 1.385 110.224 108.800 0.065 0.000 2.175 862 G HA2 -0.216 3.743 3.960 -0.000 0.000 0.244 862 G HA3 -0.216 3.743 3.960 -0.000 0.000 0.244 862 G C -0.232 174.745 174.900 0.129 0.000 0.982 862 G CA -0.356 44.847 45.100 0.171 0.000 0.641 862 G HN 0.528 nan 8.290 nan 0.000 0.527 863 Q N 0.031 119.851 119.800 0.033 0.000 2.274 863 Q HA 0.633 4.973 4.340 -0.000 0.000 0.256 863 Q C 0.153 176.126 176.000 -0.045 0.000 0.927 863 Q CA -0.284 55.534 55.803 0.025 0.000 0.939 863 Q CB 1.716 30.480 28.738 0.042 0.000 1.201 863 Q HN 0.446 nan 8.270 nan 0.000 0.426 864 M N 2.150 121.737 119.600 -0.023 0.000 2.157 864 M HA 0.474 4.954 4.480 -0.000 0.000 0.354 864 M C -1.146 175.208 176.300 0.091 0.000 1.170 864 M CA -0.403 54.875 55.300 -0.036 0.000 1.060 864 M CB 0.902 33.466 32.600 -0.060 0.000 1.615 864 M HN 0.753 nan 8.290 nan 0.000 0.460 865 A N 7.366 130.225 122.820 0.065 0.000 2.258 865 A HA 0.675 4.995 4.320 -0.000 0.000 0.316 865 A C -0.701 176.917 177.584 0.057 0.000 1.279 865 A CA -0.752 51.329 52.037 0.075 0.000 0.876 865 A CB 0.274 19.303 19.000 0.048 0.000 1.170 865 A HN 0.903 nan 8.150 nan 0.000 0.520 866 I N 1.063 121.656 120.570 0.039 0.000 2.577 866 I HA 0.561 4.731 4.170 -0.000 0.000 0.305 866 I C 0.048 176.064 176.117 -0.168 0.000 0.986 866 I CA -0.444 60.796 61.300 -0.100 0.000 1.189 866 I CB 2.161 40.121 38.000 -0.067 0.000 1.355 866 I HN 0.474 nan 8.210 nan 0.000 0.476 867 T N 3.821 118.213 114.554 -0.269 0.000 3.170 867 T HA 0.389 4.739 4.350 -0.000 0.000 0.315 867 T C -0.749 173.766 174.700 -0.308 0.000 0.967 867 T CA -0.312 61.641 62.100 -0.244 0.000 1.024 867 T CB 1.375 70.194 68.868 -0.081 0.000 1.018 867 T HN 0.260 nan 8.240 nan 0.000 0.449 868 V N 3.605 123.209 119.914 -0.517 0.000 2.513 868 V HA 0.671 4.791 4.120 -0.000 0.000 0.299 868 V C -0.675 175.313 176.094 -0.177 0.000 1.035 868 V CA -0.792 61.249 62.300 -0.432 0.000 0.889 868 V CB 1.990 33.320 31.823 -0.823 0.000 0.988 868 V HN 0.787 nan 8.190 nan 0.000 0.440 869 D N 2.507 122.947 120.400 0.067 0.000 2.602 869 D HA 0.542 5.182 4.640 -0.000 0.000 0.245 869 D C -0.820 175.625 176.300 0.243 0.000 1.325 869 D CA -0.051 54.076 54.000 0.213 0.000 0.952 869 D CB 2.094 43.032 40.800 0.229 0.000 1.317 869 D HN 0.304 nan 8.370 nan 0.000 0.577 870 V N 1.835 121.929 119.914 0.301 0.000 2.630 870 V HA 0.534 4.654 4.120 -0.000 0.000 0.305 870 V C 0.155 176.385 176.094 0.227 0.000 1.046 870 V CA -0.731 61.742 62.300 0.289 0.000 0.934 870 V CB 2.188 34.213 31.823 0.338 0.000 1.003 870 V HN 0.353 nan 8.190 nan 0.000 0.451 871 E N 1.734 122.045 120.200 0.186 0.000 2.248 871 E HA 0.669 5.019 4.350 -0.000 0.000 0.267 871 E C -1.744 174.941 176.600 0.141 0.000 0.877 871 E CA -0.567 55.914 56.400 0.134 0.000 0.759 871 E CB 2.664 32.431 29.700 0.112 0.000 1.182 871 E HN 0.465 nan 8.360 nan 0.000 0.418 872 V N 1.467 121.454 119.914 0.122 0.000 2.540 872 V HA 0.453 4.573 4.120 -0.000 0.000 0.302 872 V C -0.057 176.073 176.094 0.061 0.000 1.035 872 V CA -1.078 61.305 62.300 0.139 0.000 0.873 872 V CB 1.624 33.565 31.823 0.197 0.000 0.992 872 V HN 0.822 nan 8.190 nan 0.000 0.428 873 A N 2.975 125.796 122.820 0.001 0.000 2.505 873 A HA 0.309 4.629 4.320 -0.000 0.000 0.271 873 A C 1.703 179.323 177.584 0.060 0.000 1.112 873 A CA 0.601 52.641 52.037 0.006 0.000 0.781 873 A CB 0.118 19.096 19.000 -0.037 0.000 1.059 873 A HN 1.470 nan 8.150 nan 0.000 0.508 874 S N 2.029 117.763 115.700 0.057 0.000 2.441 874 S HA -0.203 4.267 4.470 -0.000 0.000 0.242 874 S C 0.865 175.537 174.600 0.119 0.000 1.018 874 S CA 1.672 59.920 58.200 0.080 0.000 0.988 874 S CB -0.378 62.854 63.200 0.053 0.000 0.778 874 S HN 0.809 nan 8.310 nan 0.000 0.498 875 D N 0.130 120.586 120.400 0.093 0.000 2.587 875 D HA 0.210 4.850 4.640 -0.000 0.000 0.233 875 D C 0.028 176.403 176.300 0.126 0.000 1.213 875 D CA -0.166 53.894 54.000 0.101 0.000 0.827 875 D CB -0.168 40.670 40.800 0.063 0.000 1.006 875 D HN 0.223 nan 8.370 nan 0.000 0.490 876 T N 0.952 115.618 114.554 0.187 0.000 2.856 876 T HA 0.434 4.784 4.350 -0.000 0.000 0.283 876 T C -2.725 172.207 174.700 0.387 0.000 1.008 876 T CA -2.018 60.231 62.100 0.250 0.000 0.997 876 T CB 1.449 70.442 68.868 0.209 0.000 0.992 876 T HN -0.174 nan 8.240 nan 0.000 0.454 877 P HA 0.013 nan 4.420 nan 0.000 0.261 877 P C -0.534 177.213 177.300 0.746 0.000 1.165 877 P CA 0.082 63.410 63.100 0.380 0.000 0.759 877 P CB 0.051 31.912 31.700 0.267 0.000 0.772 878 H N 3.563 122.980 119.070 0.578 0.000 3.094 878 H HA 0.069 4.625 4.556 -0.000 0.000 0.320 878 H C -1.893 173.786 175.328 0.585 0.000 1.000 878 H CA -1.617 54.724 56.048 0.489 0.000 1.413 878 H CB -1.166 28.811 29.762 0.359 0.000 1.405 878 H HN 0.303 nan 8.280 nan 0.000 0.586 879 P HA 0.103 nan 4.420 nan 0.000 0.279 879 P C 0.428 177.640 177.300 -0.147 0.000 1.239 879 P CA -0.261 62.902 63.100 0.104 0.000 0.789 879 P CB 0.938 32.555 31.700 -0.138 0.000 0.933 880 A N 4.216 126.700 122.820 -0.559 0.000 1.917 880 A HA -0.167 4.153 4.320 -0.000 0.000 0.219 880 A C 1.022 178.240 177.584 -0.610 0.000 1.182 880 A CA 1.695 53.373 52.037 -0.599 0.000 0.633 880 A CB -0.615 17.864 19.000 -0.868 0.000 0.819 880 A HN 0.753 nan 8.150 nan 0.000 0.448 881 R N -3.312 116.861 120.500 -0.544 0.000 2.747 881 R HA 0.753 5.093 4.340 -0.000 0.000 0.272 881 R C -1.663 174.432 176.300 -0.341 0.000 1.032 881 R CA -0.860 54.956 56.100 -0.474 0.000 0.896 881 R CB 0.812 30.795 30.300 -0.529 0.000 1.253 881 R HN 0.024 nan 8.270 nan 0.000 0.461 882 I N 1.066 121.465 120.570 -0.285 0.000 2.641 882 I HA 0.532 4.702 4.170 -0.000 0.000 0.275 882 I C -0.520 175.398 176.117 -0.332 0.000 1.129 882 I CA -0.282 60.900 61.300 -0.198 0.000 1.094 882 I CB 1.660 39.587 38.000 -0.122 0.000 1.232 882 I HN 0.951 nan 8.210 nan 0.000 0.503 883 G N 5.207 113.773 108.800 -0.389 0.000 2.846 883 G HA2 0.818 4.778 3.960 -0.000 0.000 0.299 883 G HA3 0.818 4.778 3.960 -0.000 0.000 0.299 883 G C -1.563 173.172 174.900 -0.274 0.000 1.242 883 G CA -0.535 44.346 45.100 -0.365 0.000 0.800 883 G HN 0.194 nan 8.290 nan 0.000 0.538 884 L N 0.756 121.849 121.223 -0.216 0.000 2.393 884 L HA 0.598 4.938 4.340 -0.000 0.000 0.260 884 L C -0.965 175.785 176.870 -0.200 0.000 1.002 884 L CA -1.149 53.579 54.840 -0.186 0.000 0.818 884 L CB 2.594 44.606 42.059 -0.079 0.000 1.369 884 L HN 0.774 nan 8.230 nan 0.000 0.412 885 N N 0.509 119.112 118.700 -0.161 0.000 2.571 885 N HA 0.772 5.512 4.740 -0.000 0.000 0.273 885 N C -1.200 174.280 175.510 -0.050 0.000 1.340 885 N CA -0.780 52.215 53.050 -0.091 0.000 0.789 885 N CB 2.207 40.696 38.487 0.003 0.000 1.514 885 N HN 0.830 nan 8.380 nan 0.000 0.499 886 C N -1.663 117.623 119.300 -0.024 0.000 3.146 886 C HA 0.444 4.904 4.460 -0.000 0.000 0.405 886 C C -0.813 173.985 174.990 -0.319 0.000 1.012 886 C CA -0.886 58.063 59.018 -0.115 0.000 1.217 886 C CB 0.596 28.289 27.740 -0.078 0.000 1.599 886 C HN 0.843 nan 8.230 nan 0.000 0.567 887 Q N 2.798 122.172 119.800 -0.709 0.000 2.344 887 Q HA 0.508 4.848 4.340 -0.000 0.000 0.253 887 Q C -0.435 175.244 176.000 -0.536 0.000 1.050 887 Q CA -0.201 54.934 55.803 -1.114 0.000 0.912 887 Q CB 0.506 28.175 28.738 -1.781 0.000 1.258 887 Q HN 0.818 nan 8.270 nan 0.000 0.443 888 L N 2.535 123.548 121.223 -0.350 0.000 2.439 888 L HA 0.100 4.440 4.340 -0.000 0.000 0.269 888 L C 1.230 177.996 176.870 -0.173 0.000 1.179 888 L CA -0.087 54.650 54.840 -0.172 0.000 0.828 888 L CB 0.684 42.722 42.059 -0.034 0.000 1.106 888 L HN 0.780 nan 8.230 nan 0.000 0.467 889 A N 2.149 124.894 122.820 -0.124 0.000 1.930 889 A HA -0.085 4.235 4.320 -0.000 0.000 0.215 889 A C 1.209 178.750 177.584 -0.073 0.000 1.176 889 A CA 0.601 52.568 52.037 -0.117 0.000 0.632 889 A CB -0.231 18.696 19.000 -0.122 0.000 0.819 889 A HN 0.811 nan 8.150 nan 0.000 0.445 890 Q N -0.949 118.829 119.800 -0.037 0.000 2.584 890 Q HA 0.427 4.767 4.340 -0.000 0.000 0.218 890 Q C -1.205 174.790 176.000 -0.007 0.000 1.079 890 Q CA 0.379 56.158 55.803 -0.040 0.000 1.008 890 Q CB 0.686 29.389 28.738 -0.059 0.000 1.267 890 Q HN 0.176 nan 8.270 nan 0.000 0.586 891 V N 1.760 121.654 119.914 -0.033 0.000 2.674 891 V HA 0.521 4.641 4.120 -0.000 0.000 0.279 891 V C -0.857 175.230 176.094 -0.011 0.000 1.051 891 V CA -0.104 62.232 62.300 0.060 0.000 0.912 891 V CB 1.110 32.954 31.823 0.035 0.000 1.044 891 V HN 0.912 nan 8.190 nan 0.000 0.464 892 A N 3.530 126.323 122.820 -0.046 0.000 2.336 892 A HA 0.853 5.173 4.320 -0.000 0.000 0.291 892 A C 0.823 178.484 177.584 0.127 0.000 1.266 892 A CA 0.003 51.988 52.037 -0.088 0.000 0.891 892 A CB 0.666 19.427 19.000 -0.398 0.000 1.366 892 A HN 0.659 nan 8.150 nan 0.000 0.507 893 E N -0.445 119.816 120.200 0.101 0.000 2.132 893 E HA 0.143 4.493 4.350 -0.000 0.000 0.193 893 E C 0.472 177.166 176.600 0.156 0.000 0.951 893 E CA 0.866 57.330 56.400 0.107 0.000 0.843 893 E CB 0.143 29.879 29.700 0.061 0.000 0.807 893 E HN 0.562 nan 8.360 nan 0.000 0.467 894 R N -0.522 120.087 120.500 0.183 0.000 2.919 894 R HA 0.675 5.015 4.340 -0.000 0.000 0.260 894 R C -0.879 175.613 176.300 0.320 0.000 1.067 894 R CA -0.911 55.315 56.100 0.211 0.000 1.003 894 R CB 2.215 32.607 30.300 0.154 0.000 1.192 894 R HN -0.206 nan 8.270 nan 0.000 0.488 895 V N 1.322 121.424 119.914 0.312 0.000 2.638 895 V HA 0.358 4.478 4.120 -0.000 0.000 0.306 895 V C -0.654 175.713 176.094 0.455 0.000 1.052 895 V CA -0.972 61.543 62.300 0.357 0.000 0.885 895 V CB 1.866 33.819 31.823 0.216 0.000 0.999 895 V HN 0.732 nan 8.190 nan 0.000 0.424 896 N N 3.512 122.471 118.700 0.432 0.000 2.238 896 N HA 0.603 5.343 4.740 -0.000 0.000 0.302 896 N C -1.459 174.357 175.510 0.510 0.000 1.072 896 N CA -0.454 52.830 53.050 0.390 0.000 0.792 896 N CB 3.125 41.727 38.487 0.191 0.000 1.425 896 N HN 0.836 nan 8.380 nan 0.000 0.478 897 W N 2.562 123.925 121.300 0.104 0.000 3.137 897 W HA 0.586 5.246 4.660 -0.000 0.000 0.324 897 W C -2.171 174.348 176.519 -0.001 0.000 1.253 897 W CA -1.059 56.339 57.345 0.088 0.000 1.183 897 W CB 0.741 30.315 29.460 0.190 0.000 1.424 897 W HN 0.270 nan 8.180 nan 0.000 0.566 898 L N 3.844 125.154 121.223 0.146 0.000 2.337 898 L HA 0.889 5.229 4.340 -0.000 0.000 0.269 898 L C -0.026 176.813 176.870 -0.052 0.000 1.018 898 L CA 0.399 55.137 54.840 -0.170 0.000 0.876 898 L CB 0.707 42.676 42.059 -0.151 0.000 1.236 898 L HN 1.003 nan 8.230 nan 0.000 0.436 899 G N 3.428 112.150 108.800 -0.131 0.000 2.435 899 G HA2 0.236 4.196 3.960 -0.000 0.000 0.228 899 G HA3 0.236 4.196 3.960 -0.000 0.000 0.228 899 G C -1.569 173.492 174.900 0.269 0.000 1.198 899 G CA -0.943 44.251 45.100 0.157 0.000 0.948 899 G HN 0.319 nan 8.290 nan 0.000 0.487 900 L N 1.046 122.495 121.223 0.377 0.000 2.371 900 L HA 0.670 5.010 4.340 -0.000 0.000 0.272 900 L C 0.967 177.983 176.870 0.243 0.000 1.124 900 L CA 0.476 55.487 54.840 0.285 0.000 0.816 900 L CB 0.873 43.021 42.059 0.148 0.000 1.129 900 L HN 1.173 nan 8.230 nan 0.000 0.448 901 G N 2.364 111.095 108.800 -0.114 0.000 2.325 901 G HA2 0.224 4.184 3.960 -0.000 0.000 0.295 901 G HA3 0.224 4.184 3.960 -0.000 0.000 0.295 901 G C -2.796 171.364 174.900 -1.233 0.000 1.274 901 G CA -0.331 44.393 45.100 -0.626 0.000 0.857 901 G HN 0.292 nan 8.290 nan 0.000 0.499 902 P HA 0.107 nan 4.420 nan 0.000 0.230 902 P C 0.477 177.582 177.300 -0.325 0.000 1.168 902 P CA 0.593 63.128 63.100 -0.941 0.000 0.793 902 P CB 0.288 31.552 31.700 -0.727 0.000 0.851 903 Q N 0.770 120.373 119.800 -0.327 0.000 2.417 903 Q HA 0.060 4.400 4.340 -0.000 0.000 0.241 903 Q C 0.471 176.368 176.000 -0.171 0.000 1.008 903 Q CA -0.206 55.481 55.803 -0.194 0.000 0.901 903 Q CB 0.697 29.344 28.738 -0.152 0.000 1.259 903 Q HN 0.246 nan 8.270 nan 0.000 0.489 904 E N 1.542 121.655 120.200 -0.144 0.000 2.534 904 E HA -0.146 4.204 4.350 -0.000 0.000 0.264 904 E C -0.907 175.647 176.600 -0.076 0.000 0.981 904 E CA 0.322 56.646 56.400 -0.127 0.000 0.948 904 E CB 0.271 29.949 29.700 -0.036 0.000 0.934 904 E HN 0.630 nan 8.360 nan 0.000 0.459 905 N N 2.786 121.389 118.700 -0.162 0.000 2.503 905 N HA 0.197 4.937 4.740 -0.000 0.000 0.287 905 N C -1.984 173.374 175.510 -0.255 0.000 1.096 905 N CA -0.607 52.387 53.050 -0.093 0.000 0.936 905 N CB 0.501 38.930 38.487 -0.096 0.000 1.570 905 N HN 0.200 nan 8.380 nan 0.000 0.504 906 Y N 1.549 121.763 120.300 -0.144 0.000 2.568 906 Y HA 0.533 5.083 4.550 -0.000 0.000 0.327 906 Y C -1.410 174.436 175.900 -0.089 0.000 1.163 906 Y CA -2.083 55.926 58.100 -0.152 0.000 1.219 906 Y CB 0.885 39.248 38.460 -0.163 0.000 1.308 906 Y HN 0.409 nan 8.280 nan 0.000 0.503 907 P HA -0.160 nan 4.420 nan 0.000 0.214 907 P C 0.441 177.724 177.300 -0.028 0.000 1.163 907 P CA 2.053 65.229 63.100 0.127 0.000 0.883 907 P CB 0.108 31.978 31.700 0.283 0.000 0.788 908 D N -1.641 118.525 120.400 -0.390 0.000 2.325 908 D HA -0.033 4.607 4.640 -0.000 0.000 0.234 908 D C 0.657 176.784 176.300 -0.288 0.000 1.122 908 D CA 0.111 53.597 54.000 -0.857 0.000 0.850 908 D CB -0.520 39.418 40.800 -1.437 0.000 0.921 908 D HN 0.145 nan 8.370 nan 0.000 0.513 909 R N 0.846 121.296 120.500 -0.084 0.000 2.638 909 R HA 0.241 4.581 4.340 -0.000 0.000 0.261 909 R C -0.645 175.690 176.300 0.058 0.000 1.515 909 R CA -0.244 55.863 56.100 0.011 0.000 1.623 909 R CB -0.037 30.271 30.300 0.013 0.000 1.347 909 R HN 0.146 nan 8.270 nan 0.000 0.705 910 L N -1.861 119.408 121.223 0.077 0.000 3.519 910 L HA 0.357 4.697 4.340 -0.000 0.000 0.323 910 L C 1.127 178.064 176.870 0.111 0.000 1.289 910 L CA -0.115 54.774 54.840 0.082 0.000 1.039 910 L CB 0.317 42.413 42.059 0.062 0.000 1.438 910 L HN 0.069 nan 8.230 nan 0.000 0.619 911 T N -2.709 111.933 114.554 0.147 0.000 2.788 911 T HA -0.042 4.308 4.350 -0.000 0.000 0.268 911 T C 1.888 176.663 174.700 0.126 0.000 1.044 911 T CA 1.358 63.565 62.100 0.178 0.000 1.139 911 T CB -0.405 68.609 68.868 0.243 0.000 0.867 911 T HN 0.405 nan 8.240 nan 0.000 0.454 912 A N 2.124 125.041 122.820 0.161 0.000 1.972 912 A HA 0.482 4.802 4.320 -0.000 0.000 0.219 912 A C 1.698 179.412 177.584 0.216 0.000 1.169 912 A CA 0.905 53.058 52.037 0.193 0.000 0.635 912 A CB -1.160 18.012 19.000 0.287 0.000 0.810 912 A HN 0.884 nan 8.150 nan 0.000 0.446 913 A N -0.428 122.444 122.820 0.088 0.000 2.401 913 A HA 0.442 4.762 4.320 -0.000 0.000 0.259 913 A C 0.466 178.079 177.584 0.048 0.000 1.103 913 A CA 0.136 52.180 52.037 0.011 0.000 0.789 913 A CB -0.502 18.492 19.000 -0.009 0.000 1.035 913 A HN 1.074 nan 8.150 nan 0.000 0.491 914 C N 0.976 120.296 119.300 0.033 0.000 2.355 914 C HA 0.723 5.183 4.460 -0.000 0.000 0.332 914 C C -0.054 175.045 174.990 0.182 0.000 1.255 914 C CA -1.236 57.835 59.018 0.089 0.000 1.792 914 C CB -0.339 27.419 27.740 0.031 0.000 2.300 914 C HN 0.777 nan 8.230 nan 0.000 0.515 915 F N 4.169 123.959 119.950 -0.267 0.000 2.466 915 F HA 0.495 5.022 4.527 -0.000 0.000 0.363 915 F C 0.261 175.728 175.800 -0.556 0.000 1.109 915 F CA 1.001 58.744 58.000 -0.429 0.000 1.161 915 F CB -0.209 38.144 39.000 -1.079 0.000 1.117 915 F HN 0.900 nan 8.300 nan 0.000 0.539 916 D N 4.144 123.865 120.400 -1.131 0.000 2.970 916 D HA 0.197 4.837 4.640 -0.000 0.000 0.344 916 D C -1.512 173.858 176.300 -1.550 0.000 1.365 916 D CA -0.723 52.457 54.000 -1.366 0.000 0.910 916 D CB 1.554 41.526 40.800 -1.380 0.000 1.445 916 D HN 0.532 nan 8.370 nan 0.000 0.532 917 R N 0.811 120.505 120.500 -1.343 0.000 2.229 917 R HA 0.459 4.799 4.340 -0.000 0.000 0.332 917 R C -1.206 174.364 176.300 -1.217 0.000 0.989 917 R CA -0.489 54.978 56.100 -1.055 0.000 0.842 917 R CB 0.431 30.383 30.300 -0.580 0.000 1.119 917 R HN 0.260 nan 8.270 nan 0.000 0.456 918 W N 2.487 123.265 121.300 -0.869 0.000 2.639 918 W HA 0.330 4.990 4.660 -0.000 0.000 0.347 918 W C -0.482 175.572 176.519 -0.774 0.000 1.067 918 W CA -0.735 56.022 57.345 -0.979 0.000 1.218 918 W CB 1.622 29.994 29.460 -1.813 0.000 1.393 918 W HN 0.467 nan 8.180 nan 0.000 0.557 919 D N 2.378 122.681 120.400 -0.163 0.000 2.336 919 D HA 0.419 5.059 4.640 -0.000 0.000 0.248 919 D C -1.159 175.223 176.300 0.137 0.000 1.326 919 D CA -0.145 53.869 54.000 0.023 0.000 0.973 919 D CB 0.299 41.105 40.800 0.008 0.000 1.255 919 D HN 0.281 nan 8.370 nan 0.000 0.558 920 L N 2.014 123.422 121.223 0.309 0.000 2.271 920 L HA 0.780 5.120 4.340 -0.000 0.000 0.265 920 L C -2.212 174.783 176.870 0.208 0.000 1.013 920 L CA -2.516 52.462 54.840 0.230 0.000 0.820 920 L CB 1.464 43.663 42.059 0.234 0.000 1.352 920 L HN 0.112 nan 8.230 nan 0.000 0.443 921 P HA 0.129 nan 4.420 nan 0.000 0.279 921 P C 0.447 177.816 177.300 0.114 0.000 1.239 921 P CA -0.434 62.739 63.100 0.121 0.000 0.789 921 P CB 0.997 32.748 31.700 0.084 0.000 0.933 922 L N 3.024 124.316 121.223 0.115 0.000 2.211 922 L HA -0.279 4.061 4.340 -0.000 0.000 0.216 922 L C 2.016 178.924 176.870 0.063 0.000 1.092 922 L CA 2.125 57.008 54.840 0.071 0.000 0.767 922 L CB -1.099 41.006 42.059 0.077 0.000 0.894 922 L HN 0.271 nan 8.230 nan 0.000 0.437 923 S N -0.331 115.413 115.700 0.073 0.000 2.351 923 S HA -0.205 4.265 4.470 -0.000 0.000 0.220 923 S C 1.382 176.032 174.600 0.084 0.000 1.035 923 S CA 1.624 59.874 58.200 0.083 0.000 1.031 923 S CB -0.451 62.786 63.200 0.063 0.000 0.928 923 S HN 0.616 nan 8.310 nan 0.000 0.433 924 D N 0.989 121.420 120.400 0.052 0.000 2.403 924 D HA -0.012 4.627 4.640 -0.000 0.000 0.227 924 D C 1.098 177.392 176.300 -0.010 0.000 0.995 924 D CA 0.565 54.575 54.000 0.016 0.000 0.928 924 D CB -0.127 40.691 40.800 0.030 0.000 0.887 924 D HN 0.380 nan 8.370 nan 0.000 0.529 925 M N -0.669 118.937 119.600 0.010 0.000 2.428 925 M HA 0.088 4.568 4.480 -0.000 0.000 0.239 925 M C 0.010 176.309 176.300 -0.002 0.000 1.121 925 M CA -0.095 55.169 55.300 -0.059 0.000 1.019 925 M CB -0.477 32.064 32.600 -0.098 0.000 1.485 925 M HN -0.053 nan 8.290 nan 0.000 0.484 926 Y N 0.297 120.543 120.300 -0.090 0.000 2.393 926 Y HA 0.492 5.042 4.550 -0.000 0.000 0.341 926 Y C -0.756 175.052 175.900 -0.153 0.000 0.988 926 Y CA -0.797 57.255 58.100 -0.079 0.000 1.078 926 Y CB 1.466 39.939 38.460 0.022 0.000 1.203 926 Y HN -0.151 nan 8.280 nan 0.000 0.453 927 T N 9.122 123.125 114.554 -0.918 0.000 2.874 927 T HA 0.248 4.598 4.350 -0.000 0.000 0.321 927 T C -2.500 171.366 174.700 -1.389 0.000 1.075 927 T CA -1.471 60.000 62.100 -1.048 0.000 0.966 927 T CB 0.825 69.083 68.868 -1.017 0.000 1.001 927 T HN 0.465 nan 8.240 nan 0.000 0.476 928 P HA -0.015 nan 4.420 nan 0.000 0.290 928 P C -0.416 176.722 177.300 -0.269 0.000 1.584 928 P CA -0.301 62.353 63.100 -0.742 0.000 0.813 928 P CB -0.793 30.607 31.700 -0.501 0.000 1.775 929 Y N -0.291 119.913 120.300 -0.160 0.000 2.895 929 Y HA -0.120 4.430 4.550 -0.000 0.000 0.334 929 Y C 2.290 178.224 175.900 0.057 0.000 1.261 929 Y CA -0.032 58.042 58.100 -0.043 0.000 1.560 929 Y CB -0.225 38.153 38.460 -0.136 0.000 1.253 929 Y HN -0.137 nan 8.280 nan 0.000 0.582 930 V N 3.802 123.916 119.914 0.333 0.000 2.317 930 V HA -0.308 3.812 4.120 -0.000 0.000 0.251 930 V C 0.652 176.903 176.094 0.261 0.000 1.065 930 V CA 1.740 64.210 62.300 0.284 0.000 1.049 930 V CB -0.660 31.346 31.823 0.305 0.000 0.651 930 V HN 0.622 nan 8.190 nan 0.000 0.450 931 F N 2.823 122.787 119.950 0.023 0.000 2.361 931 F HA 0.563 5.090 4.527 -0.000 0.000 0.364 931 F C -2.548 173.239 175.800 -0.022 0.000 1.117 931 F CA -3.357 54.617 58.000 -0.043 0.000 1.071 931 F CB 1.084 39.959 39.000 -0.208 0.000 1.188 931 F HN -0.037 nan 8.300 nan 0.000 0.464 932 P HA 0.287 nan 4.420 nan 0.000 0.271 932 P C -1.057 175.979 177.300 -0.439 0.000 1.218 932 P CA 0.049 62.967 63.100 -0.303 0.000 0.780 932 P CB 1.350 32.877 31.700 -0.288 0.000 0.901 933 S N -0.076 115.527 115.700 -0.162 0.000 2.656 933 S HA 0.378 4.848 4.470 -0.000 0.000 0.265 933 S C -0.801 173.793 174.600 -0.010 0.000 1.132 933 S CA -0.983 57.150 58.200 -0.113 0.000 0.819 933 S CB 0.284 63.441 63.200 -0.072 0.000 1.119 933 S HN 0.373 nan 8.310 nan 0.000 0.476 934 E N 1.031 121.235 120.200 0.007 0.000 2.492 934 E HA 0.340 4.690 4.350 -0.000 0.000 0.266 934 E C 0.047 176.709 176.600 0.103 0.000 1.047 934 E CA 1.331 57.766 56.400 0.058 0.000 0.968 934 E CB -0.049 29.715 29.700 0.107 0.000 0.960 934 E HN 0.868 nan 8.360 nan 0.000 0.452 935 N N 0.566 119.357 118.700 0.152 0.000 3.395 935 N HA 0.408 5.148 4.740 -0.000 0.000 0.293 935 N C 0.441 176.012 175.510 0.103 0.000 1.489 935 N CA -0.481 52.693 53.050 0.205 0.000 0.871 935 N CB 0.124 38.707 38.487 0.159 0.000 1.649 935 N HN 0.743 nan 8.380 nan 0.000 0.501 936 G N -1.365 107.442 108.800 0.011 0.000 2.302 936 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.263 936 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.263 936 G C 0.031 174.700 174.900 -0.384 0.000 0.995 936 G CA 0.596 45.597 45.100 -0.164 0.000 0.622 936 G HN 0.798 nan 8.290 nan 0.000 0.538 937 L N 1.307 122.256 121.223 -0.456 0.000 2.558 937 L HA 0.349 4.689 4.340 -0.000 0.000 0.301 937 L C 0.968 177.307 176.870 -0.885 0.000 1.267 937 L CA 0.870 55.180 54.840 -0.884 0.000 0.854 937 L CB 0.311 41.427 42.059 -1.571 0.000 1.103 937 L HN 0.468 nan 8.230 nan 0.000 0.522 938 R N 3.074 122.992 120.500 -0.971 0.000 2.808 938 R HA 0.657 4.997 4.340 -0.000 0.000 0.272 938 R C -1.229 174.762 176.300 -0.516 0.000 0.995 938 R CA -0.725 54.916 56.100 -0.764 0.000 0.917 938 R CB 1.148 30.930 30.300 -0.863 0.000 1.217 938 R HN 0.610 nan 8.270 nan 0.000 0.471 939 C N -1.134 118.011 119.300 -0.260 0.000 3.259 939 C HA 0.649 5.109 4.460 -0.000 0.000 0.328 939 C C 0.737 175.718 174.990 -0.015 0.000 1.425 939 C CA 0.081 59.005 59.018 -0.156 0.000 1.465 939 C CB 1.680 29.354 27.740 -0.110 0.000 1.890 939 C HN 1.061 nan 8.230 nan 0.000 0.450 940 G N 2.370 111.169 108.800 -0.002 0.000 2.395 940 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.292 940 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.292 940 G C -0.143 174.812 174.900 0.092 0.000 0.953 940 G CA 0.725 45.862 45.100 0.060 0.000 1.207 940 G HN 0.812 nan 8.290 nan 0.000 0.503 941 T N 0.344 114.824 114.554 -0.123 0.000 2.767 941 T HA 0.492 4.842 4.350 -0.000 0.000 0.284 941 T C 1.372 175.751 174.700 -0.535 0.000 0.973 941 T CA -0.653 61.311 62.100 -0.226 0.000 0.996 941 T CB 1.658 70.363 68.868 -0.271 0.000 0.927 941 T HN 0.364 nan 8.240 nan 0.000 0.456 942 R N 1.432 121.848 120.500 -0.140 0.000 2.308 942 R HA 0.223 4.563 4.340 -0.000 0.000 0.202 942 R C 0.392 176.722 176.300 0.050 0.000 0.898 942 R CA 0.177 56.260 56.100 -0.028 0.000 1.046 942 R CB 0.768 31.177 30.300 0.181 0.000 1.026 942 R HN 0.710 nan 8.270 nan 0.000 0.512 943 E N 0.842 121.085 120.200 0.073 0.000 2.506 943 E HA 0.133 4.483 4.350 -0.000 0.000 0.308 943 E C -2.064 174.682 176.600 0.245 0.000 0.931 943 E CA -0.467 56.053 56.400 0.200 0.000 0.800 943 E CB 1.268 31.065 29.700 0.162 0.000 1.292 943 E HN -0.086 nan 8.360 nan 0.000 0.401 944 L N 4.226 125.648 121.223 0.331 0.000 2.333 944 L HA 0.625 4.965 4.340 -0.000 0.000 0.280 944 L C -1.650 175.445 176.870 0.375 0.000 1.004 944 L CA -0.377 54.597 54.840 0.223 0.000 0.820 944 L CB 1.549 43.555 42.059 -0.088 0.000 1.247 944 L HN 0.468 nan 8.230 nan 0.000 0.416 945 N N 4.653 123.538 118.700 0.309 0.000 2.491 945 N HA 0.322 5.062 4.740 -0.000 0.000 0.274 945 N C -1.964 173.781 175.510 0.392 0.000 1.023 945 N CA -0.214 53.024 53.050 0.313 0.000 0.902 945 N CB 1.630 40.244 38.487 0.212 0.000 1.267 945 N HN 0.545 nan 8.380 nan 0.000 0.503 946 Y N 1.811 122.275 120.300 0.273 0.000 2.315 946 Y HA 0.495 5.045 4.550 -0.000 0.000 0.324 946 Y C 0.650 176.679 175.900 0.216 0.000 1.062 946 Y CA 0.021 58.259 58.100 0.230 0.000 1.159 946 Y CB 0.597 39.201 38.460 0.241 0.000 1.145 946 Y HN 0.803 nan 8.280 nan 0.000 0.442 947 G N 6.582 115.259 108.800 -0.206 0.000 2.528 947 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.262 947 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.262 947 G C -1.776 173.073 174.900 -0.085 0.000 1.200 947 G CA -0.051 44.922 45.100 -0.212 0.000 0.951 947 G HN 0.561 nan 8.290 nan 0.000 0.566 948 P HA 0.082 nan 4.420 nan 0.000 0.227 948 P C 0.702 177.827 177.300 -0.293 0.000 1.161 948 P CA 1.231 64.196 63.100 -0.224 0.000 0.788 948 P CB -0.111 31.384 31.700 -0.341 0.000 0.822 949 H N -0.090 118.937 119.070 -0.072 0.000 2.745 949 H HA 0.368 4.924 4.556 -0.000 0.000 0.373 949 H C 0.623 175.782 175.328 -0.281 0.000 1.226 949 H CA 0.540 56.471 56.048 -0.194 0.000 1.435 949 H CB 0.317 29.865 29.762 -0.358 0.000 1.461 949 H HN 0.032 nan 8.280 nan 0.000 0.616 950 Q N 2.052 121.618 119.800 -0.391 0.000 2.364 950 Q HA 0.169 4.509 4.340 -0.000 0.000 0.251 950 Q C -1.960 173.872 176.000 -0.280 0.000 0.927 950 Q CA -0.622 55.056 55.803 -0.208 0.000 0.924 950 Q CB 1.275 30.026 28.738 0.023 0.000 1.419 950 Q HN 0.622 nan 8.270 nan 0.000 0.427 951 W N 3.355 124.686 121.300 0.052 0.000 2.706 951 W HA 0.703 5.363 4.660 -0.000 0.000 0.346 951 W C -0.093 176.555 176.519 0.215 0.000 1.071 951 W CA -0.901 56.469 57.345 0.041 0.000 1.206 951 W CB 2.223 31.566 29.460 -0.196 0.000 1.413 951 W HN 0.574 nan 8.180 nan 0.000 0.542 952 R N 0.007 120.814 120.500 0.511 0.000 2.680 952 R HA 0.680 5.020 4.340 -0.000 0.000 0.269 952 R C -0.117 176.470 176.300 0.479 0.000 1.026 952 R CA -0.537 55.828 56.100 0.443 0.000 0.889 952 R CB 2.226 32.691 30.300 0.274 0.000 1.241 952 R HN 0.779 nan 8.270 nan 0.000 0.463 953 G N 0.870 109.903 108.800 0.388 0.000 2.247 953 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.229 953 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.229 953 G C -1.939 173.079 174.900 0.197 0.000 1.345 953 G CA -0.435 44.867 45.100 0.336 0.000 1.100 953 G HN 0.528 nan 8.290 nan 0.000 0.473 954 D N 0.264 120.799 120.400 0.225 0.000 2.473 954 D HA 0.680 5.320 4.640 -0.000 0.000 0.253 954 D C -0.474 175.861 176.300 0.060 0.000 1.233 954 D CA -0.329 53.686 54.000 0.025 0.000 0.908 954 D CB 0.561 41.397 40.800 0.060 0.000 1.170 954 D HN 0.844 nan 8.370 nan 0.000 0.558 955 F N 0.327 120.281 119.950 0.007 0.000 3.052 955 F HA 0.593 5.120 4.527 -0.000 0.000 0.323 955 F C -1.484 174.288 175.800 -0.047 0.000 1.178 955 F CA -1.070 56.879 58.000 -0.086 0.000 0.892 955 F CB 0.508 39.447 39.000 -0.102 0.000 1.416 955 F HN -0.015 nan 8.300 nan 0.000 0.488 956 Q N 1.418 121.349 119.800 0.219 0.000 2.359 956 Q HA 0.763 5.103 4.340 -0.000 0.000 0.275 956 Q C -1.202 174.909 176.000 0.186 0.000 1.082 956 Q CA -0.571 55.265 55.803 0.056 0.000 0.849 956 Q CB 2.799 31.431 28.738 -0.177 0.000 1.377 956 Q HN 0.952 nan 8.270 nan 0.000 0.452 957 F N -1.662 118.180 119.950 -0.180 0.000 2.817 957 F HA 0.743 5.270 4.527 -0.000 0.000 0.317 957 F C -1.846 173.745 175.800 -0.347 0.000 1.168 957 F CA -1.084 56.763 58.000 -0.255 0.000 0.911 957 F CB 1.337 40.195 39.000 -0.238 0.000 1.337 957 F HN 0.646 nan 8.300 nan 0.000 0.464 958 N N 0.860 119.473 118.700 -0.144 0.000 2.494 958 N HA 0.729 5.469 4.740 -0.000 0.000 0.270 958 N C -2.168 173.336 175.510 -0.010 0.000 1.285 958 N CA -0.716 52.204 53.050 -0.218 0.000 0.812 958 N CB 2.640 40.983 38.487 -0.241 0.000 1.557 958 N HN 1.160 nan 8.380 nan 0.000 0.487 959 I N 0.397 120.931 120.570 -0.060 0.000 2.649 959 I HA 0.660 4.830 4.170 -0.000 0.000 0.289 959 I C -1.480 174.579 176.117 -0.098 0.000 1.222 959 I CA 0.062 61.292 61.300 -0.116 0.000 1.046 959 I CB 1.258 39.116 38.000 -0.236 0.000 1.272 959 I HN 1.046 nan 8.210 nan 0.000 0.425 960 S N 6.328 121.986 115.700 -0.071 0.000 2.727 960 S HA 0.562 5.032 4.470 -0.000 0.000 0.278 960 S C -0.336 174.189 174.600 -0.124 0.000 1.186 960 S CA -0.990 57.164 58.200 -0.077 0.000 0.836 960 S CB 1.847 65.058 63.200 0.019 0.000 1.186 960 S HN 0.642 nan 8.310 nan 0.000 0.499 961 R N 0.177 120.448 120.500 -0.382 0.000 2.480 961 R HA 0.273 4.613 4.340 -0.000 0.000 0.277 961 R C -1.090 174.820 176.300 -0.650 0.000 1.008 961 R CA 0.179 56.002 56.100 -0.461 0.000 1.090 961 R CB -0.889 29.039 30.300 -0.619 0.000 1.234 961 R HN 0.636 nan 8.270 nan 0.000 0.549 962 Y N -0.245 120.000 120.300 -0.091 0.000 2.406 962 Y HA 0.249 4.799 4.550 -0.000 0.000 0.340 962 Y C 0.551 176.190 175.900 -0.435 0.000 0.975 962 Y CA -1.250 56.697 58.100 -0.255 0.000 1.056 962 Y CB 1.501 39.761 38.460 -0.334 0.000 1.210 962 Y HN -0.086 nan 8.280 nan 0.000 0.448 963 S N 1.656 117.009 115.700 -0.578 0.000 2.601 963 S HA 0.134 4.604 4.470 -0.000 0.000 0.271 963 S C 0.815 175.086 174.600 -0.547 0.000 1.305 963 S CA -0.785 56.781 58.200 -1.056 0.000 1.022 963 S CB 1.372 63.782 63.200 -1.317 0.000 0.940 963 S HN 0.737 nan 8.310 nan 0.000 0.525 964 Q N 0.894 120.387 119.800 -0.511 0.000 2.112 964 Q HA -0.235 4.105 4.340 -0.000 0.000 0.206 964 Q C 2.114 177.968 176.000 -0.242 0.000 0.987 964 Q CA 1.914 57.547 55.803 -0.284 0.000 0.858 964 Q CB -0.539 28.074 28.738 -0.209 0.000 0.905 964 Q HN 0.912 nan 8.270 nan 0.000 0.420 965 Q N 0.698 120.329 119.800 -0.281 0.000 2.030 965 Q HA -0.230 4.110 4.340 -0.000 0.000 0.204 965 Q C 2.130 178.016 176.000 -0.190 0.000 0.986 965 Q CA 1.666 57.350 55.803 -0.198 0.000 0.843 965 Q CB -0.026 28.615 28.738 -0.161 0.000 0.904 965 Q HN 0.457 nan 8.270 nan 0.000 0.420 966 Q N 0.027 119.692 119.800 -0.224 0.000 2.061 966 Q HA -0.178 4.162 4.340 -0.000 0.000 0.204 966 Q C 2.398 178.272 176.000 -0.210 0.000 0.984 966 Q CA 1.395 57.077 55.803 -0.201 0.000 0.846 966 Q CB -0.141 28.457 28.738 -0.233 0.000 0.902 966 Q HN 0.437 nan 8.270 nan 0.000 0.421 967 L N 0.451 121.543 121.223 -0.219 0.000 1.978 967 L HA -0.271 4.069 4.340 -0.000 0.000 0.218 967 L C 2.731 179.456 176.870 -0.242 0.000 1.075 967 L CA 1.939 56.646 54.840 -0.223 0.000 0.767 967 L CB -0.609 41.347 42.059 -0.172 0.000 0.890 967 L HN 0.517 nan 8.230 nan 0.000 0.434 968 M N -1.063 118.415 119.600 -0.203 0.000 2.686 968 M HA -0.113 4.367 4.480 -0.000 0.000 0.246 968 M C 1.162 177.354 176.300 -0.181 0.000 1.096 968 M CA 1.535 56.716 55.300 -0.198 0.000 1.076 968 M CB -0.084 32.426 32.600 -0.151 0.000 1.504 968 M HN 0.233 nan 8.290 nan 0.000 0.524 969 E N 0.226 120.324 120.200 -0.170 0.000 2.473 969 E HA 0.124 4.474 4.350 -0.000 0.000 0.204 969 E C -0.433 176.098 176.600 -0.116 0.000 0.994 969 E CA 0.083 56.409 56.400 -0.124 0.000 0.945 969 E CB 0.886 30.527 29.700 -0.099 0.000 0.990 969 E HN 0.393 nan 8.360 nan 0.000 0.493 970 T N 0.766 115.223 114.554 -0.162 0.000 2.756 970 T HA 0.078 4.428 4.350 -0.000 0.000 0.290 970 T C 0.929 175.536 174.700 -0.155 0.000 0.985 970 T CA -0.425 61.591 62.100 -0.141 0.000 0.955 970 T CB 1.543 70.310 68.868 -0.168 0.000 0.930 970 T HN -0.015 nan 8.240 nan 0.000 0.451 971 S N 1.767 117.465 115.700 -0.004 0.000 2.607 971 S HA 0.045 4.515 4.470 -0.000 0.000 0.224 971 S C 0.176 174.922 174.600 0.243 0.000 0.969 971 S CA 0.226 58.516 58.200 0.149 0.000 0.927 971 S CB -0.379 63.047 63.200 0.378 0.000 0.772 971 S HN 0.771 nan 8.310 nan 0.000 0.533 972 H N 0.277 119.358 119.070 0.018 0.000 3.083 972 H HA 0.377 4.933 4.556 -0.000 0.000 0.339 972 H C 0.842 176.187 175.328 0.028 0.000 1.020 972 H CA -0.684 55.438 56.048 0.124 0.000 1.360 972 H CB 1.355 31.193 29.762 0.127 0.000 1.811 972 H HN 0.088 nan 8.280 nan 0.000 0.493 973 R N 2.046 122.665 120.500 0.199 0.000 2.140 973 R HA -0.268 4.072 4.340 -0.000 0.000 0.250 973 R C 1.285 177.627 176.300 0.070 0.000 1.150 973 R CA 2.343 58.502 56.100 0.098 0.000 0.966 973 R CB -0.624 29.751 30.300 0.126 0.000 0.869 973 R HN 0.788 nan 8.270 nan 0.000 0.445 974 H N 1.025 120.099 119.070 0.006 0.000 2.545 974 H HA 0.045 4.601 4.556 -0.000 0.000 0.282 974 H C 1.686 176.940 175.328 -0.123 0.000 1.020 974 H CA 0.981 56.991 56.048 -0.063 0.000 1.243 974 H CB -0.152 29.561 29.762 -0.081 0.000 1.377 974 H HN 0.340 nan 8.280 nan 0.000 0.581 975 L N 0.631 121.517 121.223 -0.561 0.000 2.375 975 L HA 0.141 4.481 4.340 -0.000 0.000 0.215 975 L C 1.270 178.022 176.870 -0.196 0.000 1.108 975 L CA -0.042 54.522 54.840 -0.461 0.000 0.830 975 L CB -0.054 41.730 42.059 -0.457 0.000 0.959 975 L HN 0.101 nan 8.230 nan 0.000 0.457 976 L N 1.165 122.274 121.223 -0.191 0.000 2.503 976 L HA -0.062 4.278 4.340 -0.000 0.000 0.287 976 L C 0.225 177.094 176.870 -0.002 0.000 1.252 976 L CA 0.719 55.440 54.840 -0.199 0.000 0.835 976 L CB 0.017 41.801 42.059 -0.457 0.000 1.099 976 L HN 0.330 nan 8.230 nan 0.000 0.516 977 H N 0.915 120.053 119.070 0.114 0.000 2.966 977 H HA 0.463 5.019 4.556 -0.000 0.000 0.347 977 H C -0.961 174.444 175.328 0.130 0.000 1.048 977 H CA -1.099 55.019 56.048 0.116 0.000 1.295 977 H CB 1.283 31.056 29.762 0.018 0.000 1.744 977 H HN 0.667 nan 8.280 nan 0.000 0.513 978 A N 4.421 127.309 122.820 0.113 0.000 2.505 978 A HA 0.059 4.379 4.320 -0.000 0.000 0.271 978 A C 0.564 178.136 177.584 -0.020 0.000 1.112 978 A CA -0.122 51.792 52.037 -0.206 0.000 0.781 978 A CB -0.385 18.493 19.000 -0.203 0.000 1.059 978 A HN 0.830 nan 8.150 nan 0.000 0.508 979 E N 1.332 121.491 120.200 -0.068 0.000 2.455 979 E HA -0.063 4.287 4.350 -0.000 0.000 0.259 979 E C 0.800 177.422 176.600 0.038 0.000 1.245 979 E CA -0.042 56.414 56.400 0.092 0.000 1.013 979 E CB 0.478 30.314 29.700 0.226 0.000 0.978 979 E HN 0.810 nan 8.360 nan 0.000 0.479 980 E N -0.019 120.205 120.200 0.041 0.000 2.160 980 E HA -0.162 4.188 4.350 -0.000 0.000 0.195 980 E C 0.839 177.395 176.600 -0.072 0.000 0.991 980 E CA 1.166 57.554 56.400 -0.021 0.000 0.810 980 E CB 0.143 29.826 29.700 -0.028 0.000 0.742 980 E HN 0.551 nan 8.360 nan 0.000 0.466 981 G N -1.125 107.598 108.800 -0.128 0.000 3.392 981 G HA2 0.220 4.180 3.960 -0.000 0.000 0.185 981 G HA3 0.220 4.180 3.960 -0.000 0.000 0.185 981 G C -0.677 174.149 174.900 -0.123 0.000 1.206 981 G CA -0.204 44.806 45.100 -0.149 0.000 0.776 981 G HN 0.030 nan 8.290 nan 0.000 0.697 982 T N 0.892 115.359 114.554 -0.144 0.000 2.963 982 T HA 0.275 4.625 4.350 -0.000 0.000 0.328 982 T C -1.407 173.201 174.700 -0.152 0.000 1.048 982 T CA -0.175 61.884 62.100 -0.069 0.000 1.033 982 T CB 0.661 69.605 68.868 0.126 0.000 1.010 982 T HN 0.324 nan 8.240 nan 0.000 0.469 983 W N 3.880 125.093 121.300 -0.145 0.000 2.529 983 W HA 0.456 5.116 4.660 -0.000 0.000 0.319 983 W C 0.141 176.542 176.519 -0.197 0.000 1.362 983 W CA -0.627 56.625 57.345 -0.154 0.000 1.348 983 W CB 0.269 29.643 29.460 -0.143 0.000 1.403 983 W HN 0.401 nan 8.180 nan 0.000 0.519 984 L N 5.057 126.267 121.223 -0.021 0.000 2.360 984 L HA 0.504 4.844 4.340 -0.000 0.000 0.271 984 L C -0.515 176.268 176.870 -0.145 0.000 1.057 984 L CA -0.247 54.478 54.840 -0.192 0.000 0.803 984 L CB 0.980 42.791 42.059 -0.414 0.000 1.207 984 L HN 0.290 nan 8.230 nan 0.000 0.445 985 N N 5.021 123.602 118.700 -0.198 0.000 2.533 985 N HA 0.440 5.180 4.740 -0.000 0.000 0.289 985 N C -1.545 173.827 175.510 -0.230 0.000 1.103 985 N CA -0.216 52.727 53.050 -0.180 0.000 0.877 985 N CB 1.907 40.321 38.487 -0.122 0.000 1.419 985 N HN 0.472 nan 8.380 nan 0.000 0.517 986 I N 1.679 122.063 120.570 -0.311 0.000 2.382 986 I HA 0.322 4.492 4.170 -0.000 0.000 0.286 986 I C -0.677 175.249 176.117 -0.317 0.000 1.002 986 I CA -0.633 60.436 61.300 -0.386 0.000 1.135 986 I CB 1.634 39.258 38.000 -0.627 0.000 1.288 986 I HN 0.140 nan 8.210 nan 0.000 0.448 987 D N 4.319 124.561 120.400 -0.264 0.000 2.342 987 D HA 0.331 4.971 4.640 -0.000 0.000 0.243 987 D C 0.810 176.825 176.300 -0.474 0.000 1.019 987 D CA -0.316 53.477 54.000 -0.344 0.000 0.864 987 D CB 2.630 43.328 40.800 -0.168 0.000 1.315 987 D HN 0.700 nan 8.370 nan 0.000 0.468 988 G N 0.272 108.519 108.800 -0.922 0.000 2.887 988 G HA2 0.206 4.166 3.960 -0.000 0.000 0.211 988 G HA3 0.206 4.166 3.960 -0.000 0.000 0.211 988 G C -0.116 174.105 174.900 -1.133 0.000 1.152 988 G CA 0.154 44.556 45.100 -1.164 0.000 0.769 988 G HN 0.321 nan 8.290 nan 0.000 0.541 989 F N -1.041 118.729 119.950 -0.300 0.000 2.669 989 F HA 0.416 4.943 4.527 -0.000 0.000 0.315 989 F C -0.891 174.807 175.800 -0.171 0.000 1.109 989 F CA -1.309 56.577 58.000 -0.191 0.000 1.028 989 F CB 1.461 40.272 39.000 -0.315 0.000 1.287 989 F HN -0.072 nan 8.300 nan 0.000 0.452 990 H N 3.120 122.203 119.070 0.023 0.000 2.768 990 H HA 0.502 5.058 4.556 -0.000 0.000 0.371 990 H C -1.121 174.229 175.328 0.038 0.000 1.151 990 H CA -0.746 55.287 56.048 -0.026 0.000 1.165 990 H CB 2.625 32.356 29.762 -0.051 0.000 1.722 990 H HN 0.786 nan 8.280 nan 0.000 0.543 991 M N 2.144 121.728 119.600 -0.028 0.000 2.242 991 M HA 0.254 4.734 4.480 -0.000 0.000 0.344 991 M C 0.500 176.930 176.300 0.216 0.000 1.140 991 M CA -0.168 55.167 55.300 0.058 0.000 1.160 991 M CB 0.425 32.960 32.600 -0.109 0.000 1.491 991 M HN 0.764 nan 8.290 nan 0.000 0.459 992 G N 3.203 112.114 108.800 0.184 0.000 2.594 992 G HA2 0.266 4.226 3.960 -0.000 0.000 0.243 992 G HA3 0.266 4.226 3.960 -0.000 0.000 0.243 992 G C 0.813 175.712 174.900 -0.002 0.000 1.229 992 G CA -0.600 44.553 45.100 0.089 0.000 0.843 992 G HN 0.970 nan 8.290 nan 0.000 0.578 993 I N -0.226 120.298 120.570 -0.076 0.000 2.500 993 I HA 0.292 4.462 4.170 -0.000 0.000 0.252 993 I C 1.319 177.356 176.117 -0.134 0.000 1.142 993 I CA 0.704 61.911 61.300 -0.154 0.000 1.451 993 I CB -0.857 36.966 38.000 -0.295 0.000 1.093 993 I HN 0.909 nan 8.210 nan 0.000 0.430 994 G N 1.231 109.964 108.800 -0.113 0.000 2.593 994 G HA2 0.052 4.012 3.960 -0.000 0.000 0.237 994 G HA3 0.052 4.012 3.960 -0.000 0.000 0.237 994 G C 0.526 175.390 174.900 -0.059 0.000 1.312 994 G CA 0.043 45.105 45.100 -0.063 0.000 0.896 994 G HN 1.451 nan 8.290 nan 0.000 0.574 995 G N -2.072 106.700 108.800 -0.046 0.000 2.200 995 G HA2 0.046 4.006 3.960 -0.000 0.000 0.145 995 G HA3 0.046 4.006 3.960 -0.000 0.000 0.145 995 G C 0.478 175.382 174.900 0.007 0.000 1.021 995 G CA 0.995 46.069 45.100 -0.043 0.000 0.720 995 G HN 0.983 nan 8.290 nan 0.000 0.494 996 D N 1.072 121.490 120.400 0.030 0.000 2.350 996 D HA 0.215 4.855 4.640 -0.000 0.000 0.216 996 D C 0.896 177.154 176.300 -0.071 0.000 0.968 996 D CA 1.861 55.943 54.000 0.136 0.000 0.894 996 D CB 0.243 41.160 40.800 0.195 0.000 0.909 996 D HN 0.874 nan 8.370 nan 0.000 0.520 997 D N -3.520 116.646 120.400 -0.390 0.000 2.798 997 D HA 0.142 4.782 4.640 -0.000 0.000 0.265 997 D C -1.096 174.579 176.300 -1.041 0.000 1.223 997 D CA -0.731 52.628 54.000 -1.069 0.000 0.743 997 D CB 0.505 40.392 40.800 -1.521 0.000 1.276 997 D HN -0.276 nan 8.370 nan 0.000 0.421 998 S N 0.343 115.157 115.700 -1.476 0.000 2.525 998 S HA 0.329 4.799 4.470 -0.000 0.000 0.242 998 S C -0.683 173.859 174.600 -0.096 0.000 1.164 998 S CA -0.687 57.184 58.200 -0.549 0.000 1.154 998 S CB -0.759 62.318 63.200 -0.204 0.000 0.875 998 S HN 0.605 nan 8.310 nan 0.000 0.482 999 W N 0.512 121.722 121.300 -0.150 0.000 1.460 999 W HA 0.549 5.209 4.660 -0.000 0.000 0.226 999 W C -0.173 176.292 176.519 -0.091 0.000 0.808 999 W CA -0.559 56.719 57.345 -0.112 0.000 1.278 999 W CB -0.626 28.697 29.460 -0.229 0.000 0.927 999 W HN 0.223 nan 8.180 nan 0.000 0.442 1000 S N -1.224 114.294 115.700 -0.303 0.000 2.552 1000 S HA 0.524 4.994 4.470 -0.000 0.000 0.272 1000 S C -3.141 171.368 174.600 -0.152 0.000 1.150 1000 S CA -1.409 56.680 58.200 -0.186 0.000 0.849 1000 S CB 1.466 64.581 63.200 -0.142 0.000 1.113 1000 S HN -0.194 nan 8.310 nan 0.000 0.458 1001 P HA 0.105 nan 4.420 nan 0.000 0.253 1001 P C 0.544 177.863 177.300 0.032 0.000 1.170 1001 P CA 0.366 63.465 63.100 -0.002 0.000 0.806 1001 P CB 0.243 31.860 31.700 -0.138 0.000 0.775 1002 S N 1.739 117.467 115.700 0.046 0.000 2.568 1002 S HA 0.123 4.593 4.470 -0.000 0.000 0.232 1002 S C 0.295 174.940 174.600 0.075 0.000 0.975 1002 S CA -0.327 57.883 58.200 0.016 0.000 0.949 1002 S CB -0.102 63.054 63.200 -0.073 0.000 0.829 1002 S HN 0.069 nan 8.310 nan 0.000 0.479 1003 V N 3.997 123.997 119.914 0.144 0.000 2.408 1003 V HA 0.391 4.511 4.120 -0.000 0.000 0.267 1003 V C 0.619 176.838 176.094 0.208 0.000 1.047 1003 V CA -0.539 61.843 62.300 0.137 0.000 0.937 1003 V CB 0.579 32.428 31.823 0.043 0.000 0.999 1003 V HN 0.623 nan 8.190 nan 0.000 0.472 1004 S N 4.242 120.087 115.700 0.242 0.000 2.585 1004 S HA 0.471 4.941 4.470 -0.000 0.000 0.273 1004 S C 1.507 176.258 174.600 0.252 0.000 1.339 1004 S CA -0.085 58.264 58.200 0.248 0.000 1.028 1004 S CB 1.368 64.716 63.200 0.247 0.000 0.906 1004 S HN 1.048 nan 8.310 nan 0.000 0.528 1005 A N 2.158 125.078 122.820 0.166 0.000 1.873 1005 A HA -0.308 4.012 4.320 -0.000 0.000 0.219 1005 A C 1.930 179.554 177.584 0.066 0.000 1.269 1005 A CA 2.451 54.566 52.037 0.129 0.000 0.671 1005 A CB -1.739 17.309 19.000 0.080 0.000 0.842 1005 A HN 0.988 nan 8.150 nan 0.000 0.460 1006 E N -0.833 119.330 120.200 -0.063 0.000 2.301 1006 E HA -0.215 4.135 4.350 -0.000 0.000 0.202 1006 E C 1.078 177.383 176.600 -0.492 0.000 1.017 1006 E CA 1.689 57.892 56.400 -0.328 0.000 0.831 1006 E CB -0.470 28.879 29.700 -0.586 0.000 0.742 1006 E HN 0.767 nan 8.360 nan 0.000 0.491 1007 F N 0.544 120.551 119.950 0.095 0.000 2.664 1007 F HA 0.217 4.744 4.527 -0.000 0.000 0.303 1007 F C 0.323 176.171 175.800 0.079 0.000 1.092 1007 F CA -0.311 57.742 58.000 0.090 0.000 1.305 1007 F CB 0.130 39.178 39.000 0.081 0.000 1.054 1007 F HN -0.165 nan 8.300 nan 0.000 0.565 1008 Q N 1.070 120.994 119.800 0.208 0.000 2.230 1008 Q HA 0.411 4.751 4.340 -0.000 0.000 0.253 1008 Q C -0.159 175.952 176.000 0.185 0.000 0.919 1008 Q CA -0.478 55.455 55.803 0.216 0.000 0.908 1008 Q CB 1.827 30.771 28.738 0.343 0.000 1.245 1008 Q HN 0.221 nan 8.270 nan 0.000 0.437 1009 L N 2.631 123.921 121.223 0.112 0.000 2.382 1009 L HA 0.072 4.412 4.340 -0.000 0.000 0.259 1009 L C 0.504 177.343 176.870 -0.051 0.000 1.291 1009 L CA 0.018 54.851 54.840 -0.012 0.000 1.176 1009 L CB -0.608 41.283 42.059 -0.281 0.000 1.373 1009 L HN 0.766 nan 8.230 nan 0.000 0.426 1010 S N -1.172 114.492 115.700 -0.060 0.000 2.554 1010 S HA 0.139 4.609 4.470 -0.000 0.000 0.226 1010 S C 1.626 176.135 174.600 -0.152 0.000 0.980 1010 S CA 0.171 58.142 58.200 -0.383 0.000 0.939 1010 S CB 0.736 63.885 63.200 -0.084 0.000 0.832 1010 S HN 0.515 nan 8.310 nan 0.000 0.486 1011 A N 1.426 124.201 122.820 -0.075 0.000 2.172 1011 A HA 0.456 4.776 4.320 -0.000 0.000 0.216 1011 A C 2.112 179.487 177.584 -0.349 0.000 1.154 1011 A CA 1.079 52.930 52.037 -0.311 0.000 0.701 1011 A CB -1.307 17.321 19.000 -0.619 0.000 0.789 1011 A HN 1.439 nan 8.150 nan 0.000 0.465 1012 G N -1.205 107.465 108.800 -0.218 0.000 2.550 1012 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.233 1012 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.233 1012 G C 0.507 175.311 174.900 -0.160 0.000 1.170 1012 G CA 0.575 45.600 45.100 -0.125 0.000 0.693 1012 G HN 0.674 nan 8.290 nan 0.000 0.512 1013 R N -0.556 119.700 120.500 -0.407 0.000 2.621 1013 R HA 0.642 4.982 4.340 -0.000 0.000 0.292 1013 R C -1.627 174.310 176.300 -0.606 0.000 0.969 1013 R CA -0.612 55.315 56.100 -0.289 0.000 0.887 1013 R CB 1.534 31.741 30.300 -0.155 0.000 1.180 1013 R HN 0.239 nan 8.270 nan 0.000 0.450 1014 Y N 0.576 120.913 120.300 0.060 0.000 2.406 1014 Y HA 0.270 4.820 4.550 -0.000 0.000 0.340 1014 Y C -0.405 175.760 175.900 0.443 0.000 0.975 1014 Y CA -0.890 57.300 58.100 0.150 0.000 1.056 1014 Y CB 1.882 40.325 38.460 -0.027 0.000 1.210 1014 Y HN 0.568 nan 8.280 nan 0.000 0.448 1015 H N 3.736 123.174 119.070 0.612 0.000 2.589 1015 H HA 0.528 5.084 4.556 -0.000 0.000 0.335 1015 H C -1.627 173.998 175.328 0.494 0.000 1.019 1015 H CA -0.992 55.319 56.048 0.437 0.000 1.213 1015 H CB 0.644 30.556 29.762 0.250 0.000 1.472 1015 H HN 0.545 nan 8.280 nan 0.000 0.508 1016 Y N 1.738 121.828 120.300 -0.350 0.000 2.545 1016 Y HA 0.643 5.193 4.550 -0.000 0.000 0.348 1016 Y C -1.565 174.135 175.900 -0.333 0.000 1.002 1016 Y CA -1.306 56.619 58.100 -0.293 0.000 1.039 1016 Y CB 1.379 39.725 38.460 -0.191 0.000 1.271 1016 Y HN 0.601 nan 8.280 nan 0.000 0.467 1017 Q N 2.879 122.592 119.800 -0.146 0.000 2.347 1017 Q HA 0.742 5.082 4.340 -0.000 0.000 0.271 1017 Q C -1.671 174.373 176.000 0.073 0.000 1.064 1017 Q CA -0.782 54.966 55.803 -0.091 0.000 0.800 1017 Q CB 3.416 32.156 28.738 0.003 0.000 1.304 1017 Q HN 0.790 nan 8.270 nan 0.000 0.438 1018 L N 1.377 122.634 121.223 0.057 0.000 2.376 1018 L HA 0.776 5.116 4.340 -0.000 0.000 0.258 1018 L C -1.330 175.644 176.870 0.172 0.000 1.013 1018 L CA -1.216 53.708 54.840 0.140 0.000 0.822 1018 L CB 2.561 44.676 42.059 0.094 0.000 1.388 1018 L HN 0.397 nan 8.230 nan 0.000 0.413 1019 V N 1.390 121.446 119.914 0.236 0.000 2.532 1019 V HA 0.306 4.426 4.120 -0.000 0.000 0.294 1019 V C -1.365 174.905 176.094 0.293 0.000 1.036 1019 V CA -0.447 61.993 62.300 0.233 0.000 0.876 1019 V CB 2.133 34.069 31.823 0.188 0.000 1.012 1019 V HN 0.589 nan 8.190 nan 0.000 0.432 1020 W N 6.998 128.334 121.300 0.060 0.000 2.433 1020 W HA 0.765 5.425 4.660 -0.000 0.000 0.315 1020 W C -0.291 176.195 176.519 -0.055 0.000 1.087 1020 W CA -1.218 56.077 57.345 -0.083 0.000 1.205 1020 W CB 1.433 30.890 29.460 -0.005 0.000 1.288 1020 W HN 0.816 nan 8.180 nan 0.000 0.504 1021 C N 5.634 125.181 119.300 0.411 0.000 3.239 1021 C HA 0.703 5.163 4.460 -0.000 0.000 0.329 1021 C C -0.540 174.490 174.990 0.067 0.000 1.252 1021 C CA -0.559 58.550 59.018 0.151 0.000 1.323 1021 C CB 1.069 28.873 27.740 0.106 0.000 1.663 1021 C HN 0.714 nan 8.230 nan 0.000 0.487 1022 Q N 1.569 121.352 119.800 -0.028 0.000 2.386 1022 Q HA 0.830 5.170 4.340 -0.000 0.000 0.172 1022 Q C -0.372 175.575 176.000 -0.088 0.000 1.009 1022 Q CA -0.339 55.386 55.803 -0.130 0.000 1.039 1022 Q CB 0.745 29.360 28.738 -0.206 0.000 1.544 1022 Q HN 0.790 nan 8.270 nan 0.000 0.515 1023 K N 0.000 120.331 120.400 -0.116 0.000 2.780 1023 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1023 K CA 0.000 56.242 56.287 -0.075 0.000 0.838 1023 K CB 0.000 32.463 32.500 -0.061 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543