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 1bgm_1_I 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 0.000 176.121 176.117 0.006 0.000 1.063 3 I CA 0.000 61.308 61.300 0.013 0.000 1.566 3 I CB 0.000 37.999 38.000 -0.001 0.000 1.214 4 T N -2.445 112.115 114.554 0.011 0.000 2.937 4 T HA 0.064 4.414 4.350 -0.000 0.000 0.260 4 T C 1.224 175.921 174.700 -0.006 0.000 1.051 4 T CA 1.552 63.640 62.100 -0.020 0.000 1.141 4 T CB -0.496 68.361 68.868 -0.018 0.000 0.879 4 T HN 0.279 nan 8.240 nan 0.000 0.459 5 D N 2.598 123.057 120.400 0.098 0.000 2.310 5 D HA 0.016 4.656 4.640 -0.000 0.000 0.212 5 D C 1.335 177.816 176.300 0.301 0.000 0.965 5 D CA 0.641 54.796 54.000 0.259 0.000 0.879 5 D CB -0.525 40.464 40.800 0.314 0.000 0.921 5 D HN 0.614 nan 8.370 nan 0.000 0.510 6 S N 0.053 115.830 115.700 0.128 0.000 2.563 6 S HA -0.035 4.435 4.470 -0.000 0.000 0.284 6 S C 1.399 176.075 174.600 0.127 0.000 1.331 6 S CA -0.628 57.624 58.200 0.087 0.000 1.047 6 S CB 0.868 64.084 63.200 0.026 0.000 0.859 6 S HN -0.053 nan 8.310 nan 0.000 0.514 7 L N 3.985 125.275 121.223 0.111 0.000 1.990 7 L HA -0.050 4.290 4.340 -0.000 0.000 0.213 7 L C 3.011 179.927 176.870 0.077 0.000 1.072 7 L CA 2.628 57.556 54.840 0.147 0.000 0.755 7 L CB -1.625 40.477 42.059 0.071 0.000 0.889 7 L HN 1.004 nan 8.230 nan 0.000 0.432 8 A N -1.390 121.451 122.820 0.036 0.000 1.958 8 A HA -0.203 4.117 4.320 -0.000 0.000 0.221 8 A C 2.360 179.934 177.584 -0.016 0.000 1.178 8 A CA 2.307 54.352 52.037 0.013 0.000 0.642 8 A CB -0.931 18.070 19.000 0.002 0.000 0.816 8 A HN 0.264 nan 8.150 nan 0.000 0.453 9 V N -1.030 118.865 119.914 -0.031 0.000 2.283 9 V HA -0.158 3.962 4.120 -0.000 0.000 0.239 9 V C 2.526 178.523 176.094 -0.160 0.000 1.035 9 V CA 1.537 63.785 62.300 -0.087 0.000 1.018 9 V CB -0.721 31.051 31.823 -0.084 0.000 0.658 9 V HN 0.337 nan 8.190 nan 0.000 0.459 10 V N 0.632 120.422 119.914 -0.207 0.000 2.250 10 V HA -0.349 3.771 4.120 -0.000 0.000 0.253 10 V C 2.289 178.204 176.094 -0.299 0.000 1.065 10 V CA 2.563 64.617 62.300 -0.410 0.000 1.039 10 V CB -0.737 30.858 31.823 -0.381 0.000 0.647 10 V HN 0.489 nan 8.190 nan 0.000 0.446 11 L N -0.590 120.587 121.223 -0.077 0.000 2.275 11 L HA -0.165 4.174 4.340 -0.000 0.000 0.215 11 L C 2.521 179.367 176.870 -0.041 0.000 1.119 11 L CA 1.099 55.979 54.840 0.067 0.000 0.790 11 L CB -0.714 41.509 42.059 0.273 0.000 0.919 11 L HN 0.363 nan 8.230 nan 0.000 0.443 12 Q N 1.210 120.958 119.800 -0.087 0.000 2.156 12 Q HA -0.247 4.093 4.340 -0.000 0.000 0.211 12 Q C 2.295 178.198 176.000 -0.162 0.000 0.995 12 Q CA 1.921 57.664 55.803 -0.101 0.000 0.877 12 Q CB -0.091 28.584 28.738 -0.104 0.000 0.920 12 Q HN 0.388 nan 8.270 nan 0.000 0.416 13 R N 0.002 120.366 120.500 -0.227 0.000 2.097 13 R HA -0.083 4.257 4.340 -0.000 0.000 0.236 13 R C 0.497 176.564 176.300 -0.389 0.000 1.135 13 R CA 1.397 57.329 56.100 -0.280 0.000 0.934 13 R CB -0.571 29.544 30.300 -0.309 0.000 0.846 13 R HN 0.281 nan 8.270 nan 0.000 0.431 14 R N 0.745 120.858 120.500 -0.646 0.000 3.184 14 R HA -0.112 4.228 4.340 -0.000 0.000 0.257 14 R C -0.328 175.404 176.300 -0.946 0.000 0.999 14 R CA 0.290 55.655 56.100 -1.226 0.000 0.670 14 R CB -1.095 28.779 30.300 -0.710 0.000 1.197 14 R HN 0.381 nan 8.270 nan 0.000 0.419 15 D N -0.208 119.731 120.400 -0.768 0.000 2.144 15 D HA -0.158 4.482 4.640 -0.000 0.000 0.200 15 D C 1.665 177.844 176.300 -0.202 0.000 0.978 15 D CA 1.702 55.438 54.000 -0.439 0.000 0.833 15 D CB -0.234 40.208 40.800 -0.597 0.000 0.961 15 D HN 0.698 nan 8.370 nan 0.000 0.470 16 W N 1.804 123.199 121.300 0.159 0.000 2.560 16 W HA -0.011 4.649 4.660 -0.000 0.000 0.252 16 W C 0.992 177.654 176.519 0.238 0.000 1.242 16 W CA 0.328 57.850 57.345 0.295 0.000 1.242 16 W CB -0.585 29.069 29.460 0.322 0.000 1.136 16 W HN -0.103 nan 8.180 nan 0.000 0.625 17 E N 0.404 120.491 120.200 -0.188 0.000 2.501 17 E HA 0.010 4.360 4.350 -0.000 0.000 0.200 17 E C -0.402 176.162 176.600 -0.061 0.000 1.016 17 E CA -0.081 56.338 56.400 0.031 0.000 0.921 17 E CB -0.239 29.513 29.700 0.087 0.000 1.034 17 E HN 0.127 nan 8.360 nan 0.000 0.468 18 N N 0.929 119.575 118.700 -0.090 0.000 2.519 18 N HA 0.138 4.878 4.740 -0.000 0.000 0.286 18 N C -2.233 173.168 175.510 -0.182 0.000 1.079 18 N CA -2.104 50.847 53.050 -0.166 0.000 0.878 18 N CB 1.729 40.121 38.487 -0.159 0.000 1.375 18 N HN -0.274 nan 8.380 nan 0.000 0.514 19 P HA 0.042 nan 4.420 nan 0.000 0.223 19 P C 1.172 178.239 177.300 -0.388 0.000 1.151 19 P CA 0.783 63.538 63.100 -0.574 0.000 0.787 19 P CB 0.193 31.099 31.700 -1.323 0.000 0.788 20 G N 0.055 108.670 108.800 -0.308 0.000 2.408 20 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.217 20 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.217 20 G C 0.424 175.253 174.900 -0.118 0.000 1.150 20 G CA 0.372 45.348 45.100 -0.206 0.000 0.776 20 G HN 0.223 nan 8.290 nan 0.000 0.542 21 V N 1.276 121.144 119.914 -0.077 0.000 2.347 21 V HA 0.440 4.560 4.120 -0.000 0.000 0.280 21 V C 0.983 177.143 176.094 0.110 0.000 1.021 21 V CA 0.324 62.633 62.300 0.015 0.000 0.847 21 V CB 1.173 33.004 31.823 0.013 0.000 0.990 21 V HN 0.374 nan 8.190 nan 0.000 0.444 22 T N 1.057 115.672 114.554 0.103 0.000 2.955 22 T HA 0.251 4.601 4.350 -0.000 0.000 0.251 22 T C 0.380 175.110 174.700 0.049 0.000 1.002 22 T CA 0.298 62.451 62.100 0.090 0.000 0.970 22 T CB 0.537 69.425 68.868 0.033 0.000 1.091 22 T HN 0.645 nan 8.240 nan 0.000 0.495 23 Q N 0.384 120.240 119.800 0.093 0.000 2.882 23 Q HA 0.821 5.161 4.340 -0.000 0.000 0.315 23 Q C -2.011 174.106 176.000 0.195 0.000 1.004 23 Q CA -1.084 54.762 55.803 0.072 0.000 0.777 23 Q CB 1.151 29.866 28.738 -0.037 0.000 1.506 23 Q HN 0.105 nan 8.270 nan 0.000 0.489 24 L N 1.766 123.093 121.223 0.174 0.000 3.141 24 L HA 0.339 4.679 4.340 -0.000 0.000 0.254 24 L C -1.398 175.582 176.870 0.184 0.000 0.951 24 L CA 0.199 55.177 54.840 0.231 0.000 1.138 24 L CB 1.111 43.428 42.059 0.430 0.000 1.685 24 L HN 0.822 nan 8.230 nan 0.000 0.556 25 N N 0.422 119.171 118.700 0.083 0.000 2.979 25 N HA -0.193 4.546 4.740 -0.000 0.000 0.234 25 N C 0.483 175.878 175.510 -0.193 0.000 0.938 25 N CA 0.948 54.025 53.050 0.046 0.000 0.961 25 N CB -0.789 37.778 38.487 0.134 0.000 1.089 25 N HN 0.650 nan 8.380 nan 0.000 0.576 26 R N 1.749 122.020 120.500 -0.381 0.000 2.370 26 R HA 0.285 4.625 4.340 -0.000 0.000 0.309 26 R C 1.091 177.197 176.300 -0.323 0.000 1.059 26 R CA -0.203 55.502 56.100 -0.658 0.000 0.981 26 R CB 0.311 30.301 30.300 -0.517 0.000 0.972 26 R HN 0.157 nan 8.270 nan 0.000 0.437 27 L N 2.385 123.439 121.223 -0.281 0.000 2.264 27 L HA 0.094 4.434 4.340 -0.000 0.000 0.187 27 L C 0.706 177.549 176.870 -0.045 0.000 1.080 27 L CA 0.105 54.892 54.840 -0.089 0.000 0.886 27 L CB -0.092 41.963 42.059 -0.006 0.000 1.271 27 L HN 0.687 nan 8.230 nan 0.000 0.552 28 A N -0.688 122.161 122.820 0.050 0.000 2.337 28 A HA 0.708 5.028 4.320 -0.000 0.000 0.331 28 A C -0.092 177.606 177.584 0.189 0.000 1.137 28 A CA -0.273 51.811 52.037 0.078 0.000 0.807 28 A CB 1.097 20.139 19.000 0.071 0.000 1.250 28 A HN 0.709 nan 8.150 nan 0.000 0.468 29 A N 0.806 123.673 122.820 0.078 0.000 2.504 29 A HA 0.560 4.880 4.320 -0.000 0.000 0.242 29 A C 0.226 177.874 177.584 0.107 0.000 1.100 29 A CA 1.270 53.301 52.037 -0.010 0.000 0.786 29 A CB -0.311 18.653 19.000 -0.060 0.000 1.050 29 A HN 2.377 nan 8.150 nan 0.000 0.512 30 H N -3.710 115.322 119.070 -0.064 0.000 2.898 30 H HA 0.427 4.983 4.556 -0.000 0.000 0.259 30 H C -3.387 171.750 175.328 -0.319 0.000 1.324 30 H CA -1.171 54.815 56.048 -0.103 0.000 1.474 30 H CB -0.329 29.449 29.762 0.028 0.000 1.873 30 H HN 0.465 nan 8.280 nan 0.000 0.482 31 P HA 0.129 nan 4.420 nan 0.000 0.272 31 P C -2.529 174.428 177.300 -0.571 0.000 1.248 31 P CA -1.205 61.655 63.100 -0.400 0.000 0.799 31 P CB -0.503 30.907 31.700 -0.483 0.000 0.997 32 P HA 0.218 nan 4.420 nan 0.000 0.276 32 P C -0.915 176.344 177.300 -0.068 0.000 1.253 32 P CA 0.442 63.411 63.100 -0.218 0.000 0.766 32 P CB -0.052 31.635 31.700 -0.022 0.000 0.845 33 F N 1.641 121.752 119.950 0.269 0.000 2.470 33 F HA 0.623 5.150 4.527 -0.000 0.000 0.329 33 F C 1.214 177.048 175.800 0.057 0.000 1.072 33 F CA -1.066 57.052 58.000 0.195 0.000 0.989 33 F CB 1.184 40.253 39.000 0.116 0.000 1.193 33 F HN 0.343 nan 8.300 nan 0.000 0.481 34 A N 0.227 123.161 122.820 0.189 0.000 2.263 34 A HA 0.342 4.662 4.320 -0.000 0.000 0.200 34 A C 0.742 178.173 177.584 -0.254 0.000 1.428 34 A CA 0.624 52.504 52.037 -0.262 0.000 1.050 34 A CB -0.398 17.952 19.000 -1.084 0.000 1.226 34 A HN 1.031 nan 8.150 nan 0.000 0.501 35 S N 0.017 115.711 115.700 -0.010 0.000 3.697 35 S HA -0.147 4.323 4.470 -0.000 0.000 0.388 35 S C 0.267 174.873 174.600 0.011 0.000 0.941 35 S CA 0.522 58.708 58.200 -0.024 0.000 1.247 35 S CB -1.920 61.203 63.200 -0.130 0.000 0.904 35 S HN 0.468 nan 8.310 nan 0.000 0.518 36 W N 1.673 122.973 121.300 -0.000 0.000 1.645 36 W HA 0.246 4.906 4.660 -0.000 0.000 0.351 36 W C 1.766 178.282 176.519 -0.006 0.000 1.568 36 W CA -0.121 57.231 57.345 0.011 0.000 1.739 36 W CB 0.085 29.552 29.460 0.011 0.000 1.441 36 W HN 0.472 nan 8.180 nan 0.000 0.759 37 R N 0.329 121.007 120.500 0.296 0.000 2.494 37 R HA 0.083 4.423 4.340 -0.000 0.000 0.400 37 R C -0.791 175.598 176.300 0.149 0.000 0.856 37 R CA -0.283 55.913 56.100 0.161 0.000 1.112 37 R CB -0.231 30.132 30.300 0.105 0.000 1.697 37 R HN 0.244 nan 8.270 nan 0.000 0.544 38 N N 0.568 119.386 118.700 0.196 0.000 2.454 38 N HA 0.056 4.796 4.740 -0.000 0.000 0.291 38 N C 0.771 176.288 175.510 0.013 0.000 1.079 38 N CA -0.081 53.034 53.050 0.109 0.000 0.893 38 N CB 1.897 40.460 38.487 0.126 0.000 1.512 38 N HN -0.027 nan 8.380 nan 0.000 0.497 39 S N 2.471 118.152 115.700 -0.033 0.000 2.359 39 S HA -0.160 4.310 4.470 -0.000 0.000 0.224 39 S C 1.313 175.803 174.600 -0.182 0.000 1.035 39 S CA 1.045 59.184 58.200 -0.101 0.000 1.018 39 S CB -0.368 62.801 63.200 -0.051 0.000 0.876 39 S HN 0.706 nan 8.310 nan 0.000 0.448 40 E N 1.110 121.231 120.200 -0.132 0.000 2.047 40 E HA -0.147 4.203 4.350 -0.000 0.000 0.191 40 E C 2.329 178.811 176.600 -0.195 0.000 0.987 40 E CA 1.259 57.553 56.400 -0.177 0.000 0.799 40 E CB -0.201 29.426 29.700 -0.122 0.000 0.752 40 E HN 0.687 nan 8.360 nan 0.000 0.449 41 E N 0.111 120.253 120.200 -0.097 0.000 2.114 41 E HA -0.252 4.098 4.350 -0.000 0.000 0.199 41 E C 1.958 178.363 176.600 -0.324 0.000 1.008 41 E CA 1.122 57.521 56.400 -0.002 0.000 0.810 41 E CB -0.126 29.752 29.700 0.297 0.000 0.739 41 E HN 0.228 nan 8.360 nan 0.000 0.456 42 A N 1.174 123.431 122.820 -0.938 0.000 1.930 42 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 42 A C 2.052 179.113 177.584 -0.872 0.000 1.175 42 A CA 1.413 52.370 52.037 -1.800 0.000 0.627 42 A CB -0.418 17.656 19.000 -1.543 0.000 0.815 42 A HN 0.101 nan 8.150 nan 0.000 0.443 43 R N 0.114 120.293 120.500 -0.535 0.000 2.082 43 R HA -0.141 4.199 4.340 -0.000 0.000 0.234 43 R C 1.535 177.639 176.300 -0.326 0.000 1.136 43 R CA 2.061 57.908 56.100 -0.421 0.000 0.935 43 R CB -0.617 29.372 30.300 -0.518 0.000 0.842 43 R HN 0.531 nan 8.270 nan 0.000 0.430 44 T N -1.264 113.133 114.554 -0.261 0.000 3.418 44 T HA 0.076 4.426 4.350 -0.000 0.000 0.239 44 T C 0.183 174.859 174.700 -0.041 0.000 0.905 44 T CA 0.291 62.306 62.100 -0.141 0.000 0.929 44 T CB 0.071 68.868 68.868 -0.119 0.000 1.121 44 T HN 0.374 nan 8.240 nan 0.000 0.608 45 D N 1.635 122.012 120.400 -0.040 0.000 3.009 45 D HA -0.222 4.418 4.640 -0.000 0.000 0.223 45 D C 0.335 176.788 176.300 0.255 0.000 1.192 45 D CA 0.843 54.918 54.000 0.125 0.000 0.834 45 D CB -0.671 40.208 40.800 0.131 0.000 1.088 45 D HN 0.743 nan 8.370 nan 0.000 0.403 46 R N 0.244 120.886 120.500 0.236 0.000 2.756 46 R HA 0.269 4.609 4.340 -0.000 0.000 0.264 46 R C -2.034 174.505 176.300 0.400 0.000 1.026 46 R CA -0.846 55.419 56.100 0.274 0.000 1.121 46 R CB -0.377 30.045 30.300 0.203 0.000 0.999 46 R HN 0.171 nan 8.270 nan 0.000 0.449 47 P HA -0.011 nan 4.420 nan 0.000 0.272 47 P C -0.577 176.728 177.300 0.007 0.000 1.223 47 P CA -0.181 62.975 63.100 0.094 0.000 0.784 47 P CB 0.957 32.696 31.700 0.065 0.000 0.923 48 S N 0.818 116.384 115.700 -0.222 0.000 2.500 48 S HA 0.194 4.663 4.470 -0.000 0.000 0.301 48 S C 1.057 175.582 174.600 -0.125 0.000 1.092 48 S CA -0.610 57.398 58.200 -0.321 0.000 1.030 48 S CB 1.356 64.016 63.200 -0.899 0.000 1.031 48 S HN 0.411 nan 8.310 nan 0.000 0.483 49 Q N 1.912 121.702 119.800 -0.018 0.000 2.170 49 Q HA -0.159 4.181 4.340 -0.000 0.000 0.203 49 Q C 1.148 177.277 176.000 0.215 0.000 0.976 49 Q CA 1.224 57.085 55.803 0.096 0.000 0.858 49 Q CB -0.435 28.377 28.738 0.123 0.000 0.907 49 Q HN 0.720 nan 8.270 nan 0.000 0.433 50 Q N 0.301 120.170 119.800 0.115 0.000 2.364 50 Q HA -0.007 4.333 4.340 -0.000 0.000 0.209 50 Q C 0.040 176.090 176.000 0.083 0.000 0.977 50 Q CA 0.617 56.478 55.803 0.096 0.000 0.885 50 Q CB 0.013 28.709 28.738 -0.071 0.000 0.941 50 Q HN 0.158 nan 8.270 nan 0.000 0.464 51 L N 0.958 122.201 121.223 0.034 0.000 2.275 51 L HA 0.380 4.720 4.340 -0.000 0.000 0.288 51 L C -0.689 176.244 176.870 0.105 0.000 1.046 51 L CA -0.003 54.856 54.840 0.032 0.000 0.805 51 L CB 0.861 42.875 42.059 -0.075 0.000 1.193 51 L HN -0.043 nan 8.230 nan 0.000 0.426 52 R N 2.423 123.006 120.500 0.138 0.000 2.673 52 R HA 0.465 4.805 4.340 -0.000 0.000 0.281 52 R C -1.294 175.033 176.300 0.045 0.000 0.991 52 R CA -0.502 55.666 56.100 0.114 0.000 0.896 52 R CB 2.271 32.693 30.300 0.204 0.000 1.201 52 R HN 0.652 nan 8.270 nan 0.000 0.457 53 S N 3.099 118.809 115.700 0.017 0.000 2.475 53 S HA 0.392 4.862 4.470 -0.000 0.000 0.298 53 S C 0.640 175.239 174.600 -0.002 0.000 1.119 53 S CA -0.624 57.576 58.200 -0.001 0.000 1.085 53 S CB 0.795 64.001 63.200 0.009 0.000 1.028 53 S HN 0.571 nan 8.310 nan 0.000 0.489 54 L N 3.493 124.717 121.223 0.001 0.000 2.791 54 L HA 0.297 4.637 4.340 -0.000 0.000 0.239 54 L C 0.064 177.147 176.870 0.355 0.000 1.203 54 L CA -0.279 54.605 54.840 0.074 0.000 1.002 54 L CB -0.582 41.464 42.059 -0.021 0.000 1.295 54 L HN 0.520 nan 8.230 nan 0.000 0.504 55 N N 1.846 120.647 118.700 0.170 0.000 2.452 55 N HA 0.415 5.155 4.740 -0.000 0.000 0.266 55 N C 0.541 176.164 175.510 0.188 0.000 1.209 55 N CA 0.703 53.829 53.050 0.127 0.000 0.929 55 N CB 1.303 39.809 38.487 0.031 0.000 1.063 55 N HN 0.406 nan 8.380 nan 0.000 0.472 56 G N 1.786 110.716 108.800 0.216 0.000 2.373 56 G HA2 0.026 3.986 3.960 -0.000 0.000 0.250 56 G HA3 0.026 3.986 3.960 -0.000 0.000 0.250 56 G C -1.704 173.395 174.900 0.332 0.000 1.304 56 G CA -0.795 44.441 45.100 0.227 0.000 0.948 56 G HN 0.490 nan 8.290 nan 0.000 0.474 57 E N -0.438 119.961 120.200 0.331 0.000 2.283 57 E HA 0.607 4.957 4.350 -0.000 0.000 0.278 57 E C -1.285 175.650 176.600 0.559 0.000 1.027 57 E CA -0.464 56.150 56.400 0.356 0.000 0.843 57 E CB 1.473 31.293 29.700 0.199 0.000 1.062 57 E HN 0.448 nan 8.360 nan 0.000 0.401 58 W N 1.001 122.384 121.300 0.138 0.000 3.029 58 W HA 0.409 5.069 4.660 -0.000 0.000 0.339 58 W C 0.009 176.636 176.519 0.180 0.000 1.198 58 W CA -1.020 56.433 57.345 0.180 0.000 1.148 58 W CB 1.024 30.638 29.460 0.257 0.000 1.451 58 W HN 0.327 nan 8.180 nan 0.000 0.564 59 R N 1.049 121.792 120.500 0.405 0.000 2.532 59 R HA 0.750 5.090 4.340 -0.000 0.000 0.272 59 R C -1.165 175.335 176.300 0.333 0.000 1.032 59 R CA -0.731 55.543 56.100 0.291 0.000 1.089 59 R CB 1.505 31.920 30.300 0.192 0.000 1.098 59 R HN 0.439 nan 8.270 nan 0.000 0.526 60 F N -0.538 119.415 119.950 0.005 0.000 2.662 60 F HA 0.674 5.200 4.527 -0.000 0.000 0.312 60 F C -1.829 173.819 175.800 -0.254 0.000 1.113 60 F CA -0.623 57.245 58.000 -0.220 0.000 0.951 60 F CB 1.957 40.709 39.000 -0.414 0.000 1.344 60 F HN 0.667 nan 8.300 nan 0.000 0.462 61 A N 2.150 123.868 122.820 -1.837 0.000 2.612 61 A HA 0.643 4.963 4.320 -0.000 0.000 0.293 61 A C -2.622 174.023 177.584 -1.565 0.000 1.075 61 A CA -0.534 50.777 52.037 -1.210 0.000 0.680 61 A CB 0.906 19.592 19.000 -0.524 0.000 1.279 61 A HN 1.102 nan 8.150 nan 0.000 0.411 62 W N 1.147 121.728 121.300 -1.198 0.000 2.915 62 W HA 0.778 5.438 4.660 -0.000 0.000 0.337 62 W C -2.284 173.737 176.519 -0.829 0.000 1.102 62 W CA -0.562 56.229 57.345 -0.925 0.000 1.224 62 W CB 1.564 30.626 29.460 -0.663 0.000 1.416 62 W HN 0.549 nan 8.180 nan 0.000 0.503 63 F N 4.915 124.184 119.950 -1.135 0.000 2.613 63 F HA 0.417 4.944 4.527 -0.000 0.000 0.310 63 F C -1.536 173.406 175.800 -1.429 0.000 1.085 63 F CA -2.462 55.003 58.000 -0.892 0.000 0.945 63 F CB 1.171 39.842 39.000 -0.548 0.000 1.298 63 F HN 0.102 nan 8.300 nan 0.000 0.455 64 P HA -0.040 nan 4.420 nan 0.000 0.215 64 P C -0.051 177.150 177.300 -0.164 0.000 1.157 64 P CA 1.742 64.708 63.100 -0.224 0.000 0.868 64 P CB 0.353 32.109 31.700 0.094 0.000 0.788 65 A N -1.918 120.825 122.820 -0.129 0.000 2.486 65 A HA 0.612 4.932 4.320 -0.000 0.000 0.289 65 A C -2.222 175.253 177.584 -0.182 0.000 1.176 65 A CA -1.331 50.644 52.037 -0.105 0.000 0.757 65 A CB 0.546 19.540 19.000 -0.011 0.000 1.337 65 A HN -0.174 nan 8.150 nan 0.000 0.423 66 P HA 0.030 nan 4.420 nan 0.000 0.224 66 P C 0.466 177.686 177.300 -0.134 0.000 1.159 66 P CA 0.794 63.767 63.100 -0.212 0.000 0.824 66 P CB 0.051 31.623 31.700 -0.213 0.000 0.833 67 E N 0.076 120.254 120.200 -0.038 0.000 2.352 67 E HA 0.216 4.566 4.350 -0.000 0.000 0.197 67 E C 0.627 177.210 176.600 -0.028 0.000 1.224 67 E CA 0.254 56.658 56.400 0.007 0.000 1.118 67 E CB -0.548 29.191 29.700 0.064 0.000 1.198 67 E HN 0.142 nan 8.360 nan 0.000 0.454 68 A N 0.263 123.019 122.820 -0.106 0.000 2.733 68 A HA 0.207 4.527 4.320 -0.000 0.000 0.232 68 A C 0.397 177.814 177.584 -0.278 0.000 1.251 68 A CA -0.352 51.638 52.037 -0.077 0.000 1.015 68 A CB 0.691 19.711 19.000 0.034 0.000 1.291 68 A HN 0.108 nan 8.150 nan 0.000 0.595 69 V N 2.586 122.198 119.914 -0.504 0.000 2.555 69 V HA 0.287 4.407 4.120 -0.000 0.000 0.286 69 V C -2.459 173.428 176.094 -0.345 0.000 1.044 69 V CA -1.210 60.579 62.300 -0.852 0.000 1.026 69 V CB 0.697 32.020 31.823 -0.833 0.000 0.981 69 V HN 0.239 nan 8.190 nan 0.000 0.480 70 P HA 0.282 nan 4.420 nan 0.000 0.285 70 P C 0.655 177.953 177.300 -0.002 0.000 1.259 70 P CA -0.404 62.661 63.100 -0.058 0.000 0.794 70 P CB 1.128 32.836 31.700 0.014 0.000 0.940 71 E N 1.796 121.988 120.200 -0.014 0.000 2.136 71 E HA -0.244 4.106 4.350 -0.000 0.000 0.202 71 E C 1.529 178.103 176.600 -0.043 0.000 1.019 71 E CA 2.260 58.640 56.400 -0.035 0.000 0.819 71 E CB -0.476 29.204 29.700 -0.033 0.000 0.739 71 E HN 0.378 nan 8.360 nan 0.000 0.458 72 S N -0.129 115.569 115.700 -0.004 0.000 2.428 72 S HA -0.258 4.212 4.470 -0.000 0.000 0.240 72 S C 1.332 175.939 174.600 0.010 0.000 1.036 72 S CA 1.254 59.456 58.200 0.003 0.000 1.009 72 S CB -0.713 62.505 63.200 0.029 0.000 0.803 72 S HN 0.559 nan 8.310 nan 0.000 0.486 73 W N 2.871 124.081 121.300 -0.151 0.000 2.321 73 W HA -0.206 4.454 4.660 -0.000 0.000 0.306 73 W C 1.548 177.951 176.519 -0.194 0.000 1.217 73 W CA 1.270 58.511 57.345 -0.173 0.000 1.257 73 W CB -0.796 28.532 29.460 -0.220 0.000 1.145 73 W HN 0.286 nan 8.180 nan 0.000 0.509 74 L N 0.283 121.117 121.223 -0.648 0.000 2.043 74 L HA -0.243 4.097 4.340 -0.000 0.000 0.212 74 L C 2.389 179.017 176.870 -0.404 0.000 1.075 74 L CA 2.107 56.509 54.840 -0.729 0.000 0.752 74 L CB -0.973 40.635 42.059 -0.751 0.000 0.891 74 L HN 0.083 nan 8.230 nan 0.000 0.432 75 E N -1.908 118.145 120.200 -0.245 0.000 2.399 75 E HA 0.137 4.487 4.350 -0.000 0.000 0.205 75 E C 0.175 176.720 176.600 -0.093 0.000 0.906 75 E CA 0.109 56.426 56.400 -0.139 0.000 0.998 75 E CB 0.607 30.252 29.700 -0.093 0.000 1.002 75 E HN 0.294 nan 8.360 nan 0.000 0.501 76 C N 2.750 122.004 119.300 -0.077 0.000 2.345 76 C HA 0.329 4.789 4.460 -0.000 0.000 0.323 76 C C 0.129 175.146 174.990 0.045 0.000 1.276 76 C CA -1.073 57.936 59.018 -0.015 0.000 1.543 76 C CB 0.561 28.299 27.740 -0.002 0.000 2.211 76 C HN 0.231 nan 8.230 nan 0.000 0.493 77 D N 2.098 122.535 120.400 0.061 0.000 2.378 77 D HA 0.183 4.823 4.640 -0.000 0.000 0.238 77 D C 0.201 176.569 176.300 0.113 0.000 1.180 77 D CA 0.374 54.446 54.000 0.119 0.000 0.895 77 D CB 0.737 41.593 40.800 0.093 0.000 1.192 77 D HN 0.424 nan 8.370 nan 0.000 0.438 78 L N 2.197 123.493 121.223 0.121 0.000 2.479 78 L HA 0.168 4.508 4.340 -0.000 0.000 0.249 78 L C -1.166 175.735 176.870 0.052 0.000 1.178 78 L CA -1.368 53.520 54.840 0.081 0.000 0.811 78 L CB 0.311 42.413 42.059 0.070 0.000 1.187 78 L HN 0.285 nan 8.230 nan 0.000 0.480 79 P HA -0.011 nan 4.420 nan 0.000 0.214 79 P C 0.133 177.443 177.300 0.017 0.000 1.152 79 P CA 0.677 63.793 63.100 0.026 0.000 0.874 79 P CB 0.143 31.855 31.700 0.020 0.000 0.782 80 E N 0.452 120.655 120.200 0.005 0.000 2.651 80 E HA 0.346 4.695 4.350 -0.000 0.000 0.236 80 E C 0.078 176.666 176.600 -0.021 0.000 1.422 80 E CA -0.283 56.110 56.400 -0.013 0.000 1.534 80 E CB -0.698 28.980 29.700 -0.037 0.000 1.381 80 E HN 0.128 nan 8.360 nan 0.000 0.435 81 A N 1.499 124.322 122.820 0.006 0.000 2.342 81 A HA 0.301 4.621 4.320 -0.000 0.000 0.323 81 A C -0.660 176.961 177.584 0.062 0.000 1.125 81 A CA -0.960 51.083 52.037 0.010 0.000 0.785 81 A CB 0.966 19.974 19.000 0.014 0.000 1.221 81 A HN 0.113 nan 8.150 nan 0.000 0.463 82 D N 1.403 121.871 120.400 0.113 0.000 2.264 82 D HA 0.307 4.947 4.640 -0.000 0.000 0.249 82 D C -0.344 176.050 176.300 0.155 0.000 1.070 82 D CA 0.345 54.432 54.000 0.146 0.000 0.912 82 D CB 1.319 42.255 40.800 0.227 0.000 1.193 82 D HN 0.393 nan 8.370 nan 0.000 0.427 83 T N 1.360 115.985 114.554 0.119 0.000 2.749 83 T HA 0.328 4.678 4.350 -0.000 0.000 0.295 83 T C 0.230 175.003 174.700 0.122 0.000 0.936 83 T CA -0.384 61.798 62.100 0.136 0.000 1.060 83 T CB 0.793 69.725 68.868 0.107 0.000 0.904 83 T HN 0.033 nan 8.240 nan 0.000 0.500 84 V N 3.914 123.931 119.914 0.171 0.000 3.019 84 V HA 0.559 4.679 4.120 -0.000 0.000 0.317 84 V C 0.026 176.211 176.094 0.151 0.000 1.094 84 V CA -0.789 61.578 62.300 0.112 0.000 1.000 84 V CB 2.416 34.300 31.823 0.101 0.000 1.060 84 V HN 0.566 nan 8.190 nan 0.000 0.443 85 V N 1.987 121.964 119.914 0.106 0.000 2.713 85 V HA 0.622 4.742 4.120 -0.000 0.000 0.307 85 V C -0.542 175.547 176.094 -0.008 0.000 1.052 85 V CA -0.251 62.093 62.300 0.074 0.000 0.967 85 V CB 2.067 33.918 31.823 0.046 0.000 1.019 85 V HN 0.582 nan 8.190 nan 0.000 0.459 86 V N 5.641 125.466 119.914 -0.148 0.000 2.760 86 V HA 0.493 4.613 4.120 -0.000 0.000 0.309 86 V C -2.386 173.565 176.094 -0.239 0.000 1.077 86 V CA -1.553 60.550 62.300 -0.328 0.000 0.910 86 V CB 2.422 33.717 31.823 -0.880 0.000 1.008 86 V HN 0.764 nan 8.190 nan 0.000 0.424 87 P HA 0.526 nan 4.420 nan 0.000 0.277 87 P C -0.737 176.481 177.300 -0.137 0.000 1.271 87 P CA -0.212 62.763 63.100 -0.209 0.000 0.795 87 P CB 1.309 32.918 31.700 -0.152 0.000 1.101 88 S N -0.865 114.779 115.700 -0.092 0.000 2.627 88 S HA 0.361 4.831 4.470 -0.000 0.000 0.268 88 S C -1.696 172.852 174.600 -0.086 0.000 1.130 88 S CA -0.924 57.218 58.200 -0.097 0.000 0.819 88 S CB 0.178 63.361 63.200 -0.029 0.000 1.100 88 S HN 0.340 nan 8.310 nan 0.000 0.465 89 N N 1.353 119.920 118.700 -0.222 0.000 2.518 89 N HA 0.406 5.146 4.740 -0.000 0.000 0.254 89 N C 0.704 176.061 175.510 -0.255 0.000 0.979 89 N CA -0.696 52.211 53.050 -0.239 0.000 0.930 89 N CB 0.704 39.010 38.487 -0.302 0.000 1.152 89 N HN 0.793 nan 8.380 nan 0.000 0.505 90 W N 3.381 124.593 121.300 -0.146 0.000 2.280 90 W HA -0.356 4.304 4.660 -0.000 0.000 0.332 90 W C 1.208 177.710 176.519 -0.029 0.000 1.300 90 W CA 1.581 58.875 57.345 -0.085 0.000 1.274 90 W CB -0.740 28.650 29.460 -0.116 0.000 1.141 90 W HN 0.490 nan 8.180 nan 0.000 0.474 91 Q N 0.107 119.883 119.800 -0.041 0.000 2.173 91 Q HA -0.200 4.140 4.340 -0.000 0.000 0.208 91 Q C 2.081 177.992 176.000 -0.149 0.000 0.989 91 Q CA 2.432 58.192 55.803 -0.073 0.000 0.872 91 Q CB -0.791 27.813 28.738 -0.223 0.000 0.909 91 Q HN 0.354 nan 8.270 nan 0.000 0.420 92 M N -0.176 119.274 119.600 -0.251 0.000 2.747 92 M HA -0.027 4.453 4.480 -0.000 0.000 0.221 92 M C 0.135 176.363 176.300 -0.120 0.000 1.107 92 M CA 1.259 56.412 55.300 -0.244 0.000 1.031 92 M CB -0.787 31.625 32.600 -0.314 0.000 1.727 92 M HN 0.376 nan 8.290 nan 0.000 0.517 93 H N -1.664 117.391 119.070 -0.025 0.000 3.398 93 H HA 0.285 4.841 4.556 -0.000 0.000 0.260 93 H C 1.353 176.533 175.328 -0.246 0.000 1.189 93 H CA 0.108 56.114 56.048 -0.071 0.000 1.145 93 H CB 0.973 30.783 29.762 0.079 0.000 1.599 93 H HN 0.513 nan 8.280 nan 0.000 0.615 94 G N 0.751 109.529 108.800 -0.037 0.000 2.205 94 G HA2 -0.416 3.543 3.960 -0.000 0.000 0.261 94 G HA3 -0.416 3.543 3.960 -0.000 0.000 0.261 94 G C 0.541 175.308 174.900 -0.221 0.000 0.980 94 G CA 0.687 45.699 45.100 -0.147 0.000 0.632 94 G HN 0.422 nan 8.290 nan 0.000 0.533 95 Y N 2.044 122.324 120.300 -0.034 0.000 2.128 95 Y HA 0.121 4.671 4.550 -0.000 0.000 0.284 95 Y C 1.865 177.541 175.900 -0.372 0.000 1.154 95 Y CA 1.958 59.897 58.100 -0.269 0.000 1.149 95 Y CB -0.011 38.312 38.460 -0.228 0.000 0.976 95 Y HN 0.659 nan 8.280 nan 0.000 0.505 96 D N -2.007 118.468 120.400 0.126 0.000 2.664 96 D HA 0.522 5.162 4.640 -0.000 0.000 0.292 96 D C -1.171 175.185 176.300 0.093 0.000 1.214 96 D CA -0.926 53.144 54.000 0.116 0.000 0.932 96 D CB 1.001 41.984 40.800 0.305 0.000 1.420 96 D HN -0.018 nan 8.370 nan 0.000 0.471 97 A N 0.124 123.011 122.820 0.113 0.000 2.289 97 A HA 0.641 4.961 4.320 -0.000 0.000 0.298 97 A C -2.427 175.172 177.584 0.024 0.000 1.208 97 A CA -1.257 50.817 52.037 0.060 0.000 0.845 97 A CB 0.064 19.174 19.000 0.183 0.000 1.125 97 A HN 0.420 nan 8.150 nan 0.000 0.517 98 P HA 0.295 nan 4.420 nan 0.000 0.268 98 P C -0.731 176.771 177.300 0.336 0.000 1.205 98 P CA 0.439 63.475 63.100 -0.107 0.000 0.771 98 P CB 0.438 31.758 31.700 -0.635 0.000 0.858 99 I N 2.462 123.293 120.570 0.435 0.000 2.530 99 I HA 0.343 4.513 4.170 -0.000 0.000 0.297 99 I C -0.587 175.681 176.117 0.251 0.000 1.011 99 I CA -0.964 60.575 61.300 0.398 0.000 1.107 99 I CB 1.786 39.946 38.000 0.266 0.000 1.285 99 I HN 0.278 nan 8.210 nan 0.000 0.436 100 Y N 5.259 125.441 120.300 -0.198 0.000 2.575 100 Y HA 0.466 5.016 4.550 -0.000 0.000 0.326 100 Y C -0.428 175.294 175.900 -0.296 0.000 0.979 100 Y CA -0.440 57.280 58.100 -0.633 0.000 1.286 100 Y CB 0.867 38.388 38.460 -1.565 0.000 1.093 100 Y HN 0.662 nan 8.280 nan 0.000 0.501 101 T N 1.420 115.388 114.554 -0.977 0.000 2.916 101 T HA 0.359 4.709 4.350 -0.000 0.000 0.292 101 T C 0.060 174.230 174.700 -0.883 0.000 1.064 101 T CA -0.904 60.737 62.100 -0.766 0.000 1.011 101 T CB 2.433 71.071 68.868 -0.383 0.000 1.152 101 T HN 0.699 nan 8.240 nan 0.000 0.510 102 N N -0.291 118.035 118.700 -0.622 0.000 2.648 102 N HA 0.059 4.799 4.740 -0.000 0.000 0.234 102 N C 1.329 176.560 175.510 -0.464 0.000 1.034 102 N CA 0.038 52.799 53.050 -0.482 0.000 1.205 102 N CB 0.343 38.577 38.487 -0.422 0.000 1.573 102 N HN 0.287 nan 8.380 nan 0.000 0.615 103 V N 0.607 120.192 119.914 -0.549 0.000 2.599 103 V HA 0.060 4.180 4.120 -0.000 0.000 0.245 103 V C 0.740 176.535 176.094 -0.499 0.000 1.046 103 V CA 0.894 62.794 62.300 -0.667 0.000 1.065 103 V CB 0.179 31.554 31.823 -0.746 0.000 0.703 103 V HN 0.353 nan 8.190 nan 0.000 0.464 104 T N 0.492 114.817 114.554 -0.381 0.000 2.851 104 T HA 0.288 4.638 4.350 -0.000 0.000 0.298 104 T C -0.508 174.041 174.700 -0.252 0.000 0.977 104 T CA 0.034 61.982 62.100 -0.253 0.000 1.126 104 T CB 0.008 68.764 68.868 -0.187 0.000 0.916 104 T HN 0.202 nan 8.240 nan 0.000 0.529 105 Y N 5.018 125.209 120.300 -0.181 0.000 2.497 105 Y HA 0.148 4.698 4.550 -0.000 0.000 0.334 105 Y C -0.973 174.791 175.900 -0.227 0.000 1.199 105 Y CA -1.750 56.225 58.100 -0.208 0.000 1.425 105 Y CB 0.326 38.627 38.460 -0.264 0.000 1.291 105 Y HN 0.578 nan 8.280 nan 0.000 0.562 106 P HA -0.167 nan 4.420 nan 0.000 0.215 106 P C 0.376 177.482 177.300 -0.323 0.000 1.153 106 P CA 1.457 64.455 63.100 -0.170 0.000 0.853 106 P CB 0.117 31.722 31.700 -0.160 0.000 0.788 107 I N -3.625 116.637 120.570 -0.514 0.000 3.062 107 I HA 0.313 4.483 4.170 -0.000 0.000 0.318 107 I C -0.380 175.571 176.117 -0.276 0.000 1.026 107 I CA -0.734 60.260 61.300 -0.509 0.000 1.096 107 I CB 0.657 38.206 38.000 -0.753 0.000 1.348 107 I HN -0.292 nan 8.210 nan 0.000 0.543 108 T N 2.264 116.704 114.554 -0.191 0.000 2.930 108 T HA 0.138 4.488 4.350 -0.000 0.000 0.306 108 T C 0.177 174.821 174.700 -0.093 0.000 1.045 108 T CA -0.331 61.714 62.100 -0.091 0.000 1.134 108 T CB 1.199 70.052 68.868 -0.025 0.000 0.961 108 T HN 0.412 nan 8.240 nan 0.000 0.545 109 V N 4.202 124.079 119.914 -0.060 0.000 2.326 109 V HA 0.229 4.349 4.120 -0.000 0.000 0.249 109 V C 0.305 176.447 176.094 0.080 0.000 1.114 109 V CA -0.066 62.208 62.300 -0.043 0.000 1.028 109 V CB -0.253 31.499 31.823 -0.119 0.000 1.170 109 V HN 0.844 nan 8.190 nan 0.000 0.494 110 N N 6.948 125.771 118.700 0.204 0.000 2.697 110 N HA 0.321 5.060 4.740 -0.000 0.000 0.253 110 N C -2.906 172.658 175.510 0.089 0.000 1.604 110 N CA -1.390 51.766 53.050 0.176 0.000 0.772 110 N CB 1.720 40.336 38.487 0.214 0.000 1.267 110 N HN 0.257 nan 8.380 nan 0.000 0.510 111 P HA 0.209 nan 4.420 nan 0.000 0.268 111 P C -2.174 174.790 177.300 -0.561 0.000 1.205 111 P CA -0.753 61.952 63.100 -0.659 0.000 0.771 111 P CB 0.679 31.948 31.700 -0.719 0.000 0.858 112 P HA 0.166 nan 4.420 nan 0.000 0.261 112 P C -0.210 176.879 177.300 -0.351 0.000 1.352 112 P CA -0.229 62.545 63.100 -0.543 0.000 0.891 112 P CB -0.060 31.399 31.700 -0.401 0.000 1.383 113 F N 0.004 120.002 119.950 0.081 0.000 2.496 113 F HA 0.164 4.691 4.527 -0.000 0.000 0.344 113 F C 1.333 177.319 175.800 0.310 0.000 1.155 113 F CA -0.271 57.837 58.000 0.180 0.000 1.302 113 F CB -0.056 39.017 39.000 0.122 0.000 1.159 113 F HN -0.265 nan 8.300 nan 0.000 0.595 114 V N 1.739 121.974 119.914 0.535 0.000 3.155 114 V HA 0.535 4.655 4.120 -0.000 0.000 0.313 114 V C -2.186 174.085 176.094 0.295 0.000 1.162 114 V CA -1.841 60.697 62.300 0.397 0.000 1.048 114 V CB 2.395 34.530 31.823 0.520 0.000 1.092 114 V HN 0.576 nan 8.190 nan 0.000 0.447 115 P HA 0.227 nan 4.420 nan 0.000 0.288 115 P C 0.555 177.980 177.300 0.208 0.000 1.267 115 P CA -0.111 63.082 63.100 0.155 0.000 0.815 115 P CB 1.075 32.816 31.700 0.068 0.000 0.989 116 T N -0.811 113.842 114.554 0.165 0.000 2.929 116 T HA -0.140 4.210 4.350 -0.000 0.000 0.271 116 T C 0.299 175.087 174.700 0.147 0.000 1.085 116 T CA 1.100 63.294 62.100 0.156 0.000 1.125 116 T CB -0.607 68.331 68.868 0.118 0.000 0.874 116 T HN 0.316 nan 8.240 nan 0.000 0.494 117 E N 2.763 123.062 120.200 0.166 0.000 1.986 117 E HA 0.372 4.722 4.350 -0.000 0.000 0.264 117 E C -0.586 176.174 176.600 0.267 0.000 1.023 117 E CA -0.279 56.233 56.400 0.187 0.000 0.834 117 E CB 0.426 30.242 29.700 0.193 0.000 1.111 117 E HN 0.437 nan 8.360 nan 0.000 0.417 118 N N 3.210 122.022 118.700 0.186 0.000 2.804 118 N HA 0.238 4.978 4.740 -0.000 0.000 0.251 118 N C -2.762 172.755 175.510 0.011 0.000 1.250 118 N CA -2.593 50.586 53.050 0.215 0.000 0.820 118 N CB 0.661 39.313 38.487 0.275 0.000 1.156 118 N HN -0.023 nan 8.380 nan 0.000 0.512 119 P HA -0.094 nan 4.420 nan 0.000 0.258 119 P C -0.747 176.405 177.300 -0.246 0.000 1.136 119 P CA 0.781 63.791 63.100 -0.151 0.000 0.761 119 P CB 0.115 32.024 31.700 0.347 0.000 0.724 120 T N 2.496 116.669 114.554 -0.635 0.000 2.856 120 T HA 0.631 4.981 4.350 -0.000 0.000 0.283 120 T C 0.385 174.577 174.700 -0.847 0.000 1.008 120 T CA -0.554 61.253 62.100 -0.489 0.000 0.997 120 T CB 1.967 70.582 68.868 -0.423 0.000 0.992 120 T HN 0.361 nan 8.240 nan 0.000 0.454 121 G N 1.279 109.684 108.800 -0.658 0.000 2.938 121 G HA2 0.465 4.425 3.960 -0.000 0.000 0.308 121 G HA3 0.465 4.425 3.960 -0.000 0.000 0.308 121 G C 0.002 174.718 174.900 -0.308 0.000 1.422 121 G CA -0.573 44.054 45.100 -0.788 0.000 1.071 121 G HN 0.986 nan 8.290 nan 0.000 0.530 122 C N 2.740 121.643 119.300 -0.662 0.000 2.624 122 C HA 0.423 4.883 4.460 -0.000 0.000 0.397 122 C C 0.003 174.881 174.990 -0.185 0.000 1.331 122 C CA -1.304 57.416 59.018 -0.496 0.000 1.716 122 C CB -1.992 24.860 27.740 -1.479 0.000 2.452 122 C HN 0.558 nan 8.230 nan 0.000 0.586 123 Y N 1.609 122.080 120.300 0.285 0.000 2.432 123 Y HA 0.646 5.196 4.550 -0.000 0.000 0.322 123 Y C 0.842 177.110 175.900 0.614 0.000 1.246 123 Y CA -0.741 57.675 58.100 0.526 0.000 1.268 123 Y CB 0.983 39.827 38.460 0.640 0.000 1.276 123 Y HN 0.756 nan 8.280 nan 0.000 0.499 124 S N 1.296 117.433 115.700 0.729 0.000 2.542 124 S HA 0.694 5.164 4.470 -0.000 0.000 0.276 124 S C -1.759 172.949 174.600 0.180 0.000 1.148 124 S CA -0.832 57.639 58.200 0.451 0.000 0.886 124 S CB 1.829 65.266 63.200 0.395 0.000 1.109 124 S HN 0.703 nan 8.310 nan 0.000 0.458 125 L N 0.708 121.927 121.223 -0.007 0.000 2.513 125 L HA 0.768 5.108 4.340 -0.000 0.000 0.261 125 L C -1.344 175.553 176.870 0.045 0.000 0.945 125 L CA 0.052 54.767 54.840 -0.208 0.000 0.848 125 L CB 2.340 43.805 42.059 -0.991 0.000 1.334 125 L HN 0.757 nan 8.230 nan 0.000 0.407 126 T N 4.977 119.549 114.554 0.030 0.000 2.767 126 T HA 0.793 5.143 4.350 -0.000 0.000 0.284 126 T C -1.082 173.690 174.700 0.120 0.000 0.973 126 T CA 0.017 62.126 62.100 0.015 0.000 0.996 126 T CB 0.442 69.290 68.868 -0.034 0.000 0.927 126 T HN 0.469 nan 8.240 nan 0.000 0.456 127 F N 0.797 120.675 119.950 -0.120 0.000 2.713 127 F HA 0.679 5.206 4.527 -0.000 0.000 0.311 127 F C -1.007 174.742 175.800 -0.085 0.000 1.141 127 F CA -1.615 56.319 58.000 -0.110 0.000 0.939 127 F CB 0.740 39.663 39.000 -0.129 0.000 1.325 127 F HN 0.192 nan 8.300 nan 0.000 0.453 128 N N 0.006 118.698 118.700 -0.013 0.000 2.492 128 N HA 0.761 5.501 4.740 -0.000 0.000 0.289 128 N C -1.499 174.001 175.510 -0.017 0.000 1.133 128 N CA -0.573 52.422 53.050 -0.092 0.000 0.961 128 N CB 2.011 40.454 38.487 -0.074 0.000 1.186 128 N HN 0.591 nan 8.380 nan 0.000 0.493 129 V N 0.517 120.377 119.914 -0.091 0.000 2.569 129 V HA 0.234 4.354 4.120 -0.000 0.000 0.301 129 V C -0.301 175.680 176.094 -0.189 0.000 1.044 129 V CA -1.118 61.116 62.300 -0.111 0.000 0.874 129 V CB 1.684 33.527 31.823 0.033 0.000 1.002 129 V HN 0.611 nan 8.190 nan 0.000 0.424 130 D N 3.401 123.567 120.400 -0.389 0.000 2.506 130 D HA -0.028 4.612 4.640 -0.000 0.000 0.234 130 D C 1.418 177.629 176.300 -0.149 0.000 1.143 130 D CA 0.487 54.298 54.000 -0.315 0.000 0.871 130 D CB 1.281 41.819 40.800 -0.437 0.000 1.190 130 D HN 0.829 nan 8.370 nan 0.000 0.459 131 E N 1.861 122.013 120.200 -0.079 0.000 2.038 131 E HA -0.214 4.136 4.350 -0.000 0.000 0.195 131 E C 1.829 178.453 176.600 0.039 0.000 1.000 131 E CA 1.355 57.749 56.400 -0.011 0.000 0.803 131 E CB -0.456 29.238 29.700 -0.010 0.000 0.750 131 E HN 0.482 nan 8.360 nan 0.000 0.448 132 S N 1.584 117.306 115.700 0.037 0.000 2.412 132 S HA -0.261 4.209 4.470 -0.000 0.000 0.246 132 S C 1.551 176.260 174.600 0.181 0.000 1.073 132 S CA 1.738 60.005 58.200 0.111 0.000 1.186 132 S CB -1.197 62.087 63.200 0.141 0.000 1.084 132 S HN 0.398 nan 8.310 nan 0.000 0.434 133 W N 1.917 123.084 121.300 -0.222 0.000 2.361 133 W HA 0.003 4.663 4.660 -0.000 0.000 0.270 133 W C 2.020 178.467 176.519 -0.120 0.000 1.210 133 W CA 0.114 57.196 57.345 -0.438 0.000 1.174 133 W CB -0.990 28.189 29.460 -0.468 0.000 1.131 133 W HN 0.306 nan 8.180 nan 0.000 0.575 134 L N -1.247 120.083 121.223 0.179 0.000 2.202 134 L HA -0.110 4.230 4.340 -0.000 0.000 0.205 134 L C 2.357 179.297 176.870 0.117 0.000 1.083 134 L CA 0.838 55.762 54.840 0.140 0.000 0.790 134 L CB -0.746 41.373 42.059 0.099 0.000 0.942 134 L HN -0.048 nan 8.230 nan 0.000 0.452 135 Q N 0.167 120.032 119.800 0.109 0.000 1.942 135 Q HA -0.102 4.238 4.340 -0.000 0.000 0.203 135 Q C 0.697 176.761 176.000 0.106 0.000 0.987 135 Q CA 1.313 57.171 55.803 0.092 0.000 0.844 135 Q CB 0.160 28.948 28.738 0.084 0.000 0.911 135 Q HN 0.502 nan 8.270 nan 0.000 0.423 136 E N -1.124 119.163 120.200 0.145 0.000 3.029 136 E HA 0.419 4.769 4.350 -0.000 0.000 0.249 136 E C 0.499 177.221 176.600 0.204 0.000 1.089 136 E CA -0.386 56.101 56.400 0.146 0.000 1.089 136 E CB 0.186 29.966 29.700 0.134 0.000 1.428 136 E HN 0.317 nan 8.360 nan 0.000 0.555 137 G N 0.607 109.441 108.800 0.057 0.000 2.566 137 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.308 137 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.308 137 G C -0.335 174.503 174.900 -0.104 0.000 1.317 137 G CA 0.536 45.512 45.100 -0.207 0.000 0.930 137 G HN 0.481 nan 8.290 nan 0.000 0.547 138 Q N -0.989 118.650 119.800 -0.268 0.000 2.337 138 Q HA 0.579 4.919 4.340 -0.000 0.000 0.270 138 Q C -1.261 174.712 176.000 -0.046 0.000 1.043 138 Q CA -0.442 55.303 55.803 -0.097 0.000 0.794 138 Q CB 1.712 30.384 28.738 -0.109 0.000 1.281 138 Q HN 0.514 nan 8.270 nan 0.000 0.446 139 T N 4.912 119.522 114.554 0.092 0.000 2.821 139 T HA 0.438 4.788 4.350 -0.000 0.000 0.307 139 T C -0.921 173.863 174.700 0.141 0.000 1.034 139 T CA -0.570 61.613 62.100 0.138 0.000 0.953 139 T CB 0.199 69.213 68.868 0.243 0.000 0.968 139 T HN 0.566 nan 8.240 nan 0.000 0.462 140 R N 2.962 123.527 120.500 0.108 0.000 2.740 140 R HA 0.754 5.094 4.340 -0.000 0.000 0.282 140 R C -0.877 175.517 176.300 0.157 0.000 0.969 140 R CA -0.973 55.211 56.100 0.141 0.000 0.918 140 R CB 1.573 31.943 30.300 0.116 0.000 1.175 140 R HN 0.449 nan 8.270 nan 0.000 0.464 141 I N 3.053 123.754 120.570 0.218 0.000 2.499 141 I HA 0.365 4.535 4.170 -0.000 0.000 0.296 141 I C -0.644 175.621 176.117 0.248 0.000 0.992 141 I CA -1.094 60.332 61.300 0.210 0.000 1.297 141 I CB 1.036 39.199 38.000 0.272 0.000 1.410 141 I HN 0.596 nan 8.210 nan 0.000 0.507 142 I N 6.605 127.210 120.570 0.057 0.000 2.382 142 I HA 0.281 4.451 4.170 -0.000 0.000 0.286 142 I C -1.321 174.716 176.117 -0.133 0.000 1.002 142 I CA -0.439 60.894 61.300 0.056 0.000 1.135 142 I CB 0.968 38.987 38.000 0.031 0.000 1.288 142 I HN 0.364 nan 8.210 nan 0.000 0.448 143 F N 4.327 124.284 119.950 0.012 0.000 2.311 143 F HA 0.289 4.816 4.527 -0.000 0.000 0.371 143 F C 1.375 177.068 175.800 -0.178 0.000 1.083 143 F CA -0.522 57.411 58.000 -0.112 0.000 1.113 143 F CB 0.582 39.479 39.000 -0.172 0.000 1.349 143 F HN 0.468 nan 8.300 nan 0.000 0.470 144 D N 2.142 122.473 120.400 -0.115 0.000 2.311 144 D HA -0.006 4.634 4.640 -0.000 0.000 0.212 144 D C 1.005 177.162 176.300 -0.239 0.000 0.972 144 D CA 1.035 54.938 54.000 -0.162 0.000 0.887 144 D CB 0.386 41.070 40.800 -0.193 0.000 0.915 144 D HN 0.650 nan 8.370 nan 0.000 0.497 145 G N -1.135 107.425 108.800 -0.400 0.000 2.633 145 G HA2 0.419 4.379 3.960 -0.000 0.000 0.299 145 G HA3 0.419 4.379 3.960 -0.000 0.000 0.299 145 G C -1.707 172.652 174.900 -0.901 0.000 1.501 145 G CA -0.520 44.130 45.100 -0.750 0.000 0.887 145 G HN -0.049 nan 8.290 nan 0.000 0.561 146 V N 2.233 121.728 119.914 -0.699 0.000 2.697 146 V HA 0.439 4.559 4.120 -0.000 0.000 0.296 146 V C -1.067 174.927 176.094 -0.166 0.000 1.140 146 V CA -1.213 60.778 62.300 -0.514 0.000 0.921 146 V CB 1.899 33.261 31.823 -0.769 0.000 1.036 146 V HN 0.785 nan 8.190 nan 0.000 0.438 147 N N 2.213 120.921 118.700 0.012 0.000 2.424 147 N HA 0.376 5.115 4.740 -0.000 0.000 0.271 147 N C 0.743 176.248 175.510 -0.008 0.000 0.985 147 N CA 0.434 53.539 53.050 0.092 0.000 0.921 147 N CB 2.344 40.934 38.487 0.172 0.000 1.149 147 N HN 0.748 nan 8.380 nan 0.000 0.492 148 S N 2.204 117.921 115.700 0.028 0.000 2.539 148 S HA 0.452 4.922 4.470 -0.000 0.000 0.226 148 S C 0.456 175.136 174.600 0.134 0.000 1.054 148 S CA 0.055 58.309 58.200 0.090 0.000 0.910 148 S CB 0.349 63.620 63.200 0.118 0.000 0.818 148 S HN 0.600 nan 8.310 nan 0.000 0.490 149 A N 0.881 123.801 122.820 0.166 0.000 2.532 149 A HA 0.850 5.170 4.320 -0.000 0.000 0.290 149 A C -1.326 176.459 177.584 0.335 0.000 1.143 149 A CA -0.877 51.267 52.037 0.178 0.000 0.728 149 A CB 1.181 20.322 19.000 0.235 0.000 1.317 149 A HN 1.266 nan 8.150 nan 0.000 0.414 150 F N -0.681 119.207 119.950 -0.103 0.000 2.686 150 F HA 0.486 5.013 4.527 -0.000 0.000 0.315 150 F C -1.539 174.301 175.800 0.066 0.000 1.088 150 F CA -0.800 57.217 58.000 0.028 0.000 1.034 150 F CB 0.348 39.325 39.000 -0.039 0.000 1.280 150 F HN 0.634 nan 8.300 nan 0.000 0.463 151 H N 3.462 122.639 119.070 0.179 0.000 2.525 151 H HA 0.655 5.211 4.556 -0.000 0.000 0.339 151 H C -0.818 174.411 175.328 -0.165 0.000 1.109 151 H CA -0.311 55.744 56.048 0.012 0.000 1.352 151 H CB 2.327 32.190 29.762 0.169 0.000 1.461 151 H HN 0.792 nan 8.280 nan 0.000 0.533 152 L N 2.553 123.478 121.223 -0.496 0.000 2.313 152 L HA 0.472 4.812 4.340 -0.000 0.000 0.268 152 L C -1.388 175.206 176.870 -0.461 0.000 1.010 152 L CA -0.628 53.962 54.840 -0.417 0.000 0.814 152 L CB 1.437 43.006 42.059 -0.818 0.000 1.304 152 L HN 0.562 nan 8.230 nan 0.000 0.441 153 W N 2.774 123.921 121.300 -0.255 0.000 3.573 153 W HA 0.417 5.077 4.660 -0.000 0.000 0.306 153 W C -1.654 174.764 176.519 -0.168 0.000 1.227 153 W CA -0.737 56.485 57.345 -0.205 0.000 1.212 153 W CB 1.632 30.990 29.460 -0.169 0.000 1.331 153 W HN 0.672 nan 8.180 nan 0.000 0.524 154 C N 4.901 124.254 119.300 0.088 0.000 2.547 154 C HA 0.393 4.852 4.460 -0.000 0.000 0.313 154 C C 0.380 175.468 174.990 0.163 0.000 1.191 154 C CA -0.297 58.763 59.018 0.071 0.000 1.474 154 C CB 0.396 28.099 27.740 -0.061 0.000 2.081 154 C HN 0.775 nan 8.230 nan 0.000 0.476 155 N N 3.356 122.117 118.700 0.100 0.000 2.701 155 N HA -0.197 4.543 4.740 -0.000 0.000 0.252 155 N C 1.016 176.580 175.510 0.090 0.000 1.002 155 N CA 2.058 55.151 53.050 0.071 0.000 0.758 155 N CB -1.326 37.207 38.487 0.077 0.000 0.937 155 N HN 1.877 nan 8.380 nan 0.000 0.538 156 G N -1.348 107.493 108.800 0.069 0.000 2.179 156 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.260 156 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.260 156 G C 0.111 175.164 174.900 0.254 0.000 0.977 156 G CA 0.530 45.659 45.100 0.048 0.000 0.641 156 G HN 0.573 nan 8.290 nan 0.000 0.533 157 R N -0.786 119.932 120.500 0.363 0.000 2.229 157 R HA 0.393 4.733 4.340 -0.000 0.000 0.332 157 R C 0.149 176.712 176.300 0.439 0.000 0.989 157 R CA -0.917 55.459 56.100 0.459 0.000 0.842 157 R CB 0.702 31.295 30.300 0.487 0.000 1.119 157 R HN 0.279 nan 8.270 nan 0.000 0.456 158 W N 3.996 125.369 121.300 0.121 0.000 2.314 158 W HA -0.056 4.604 4.660 -0.000 0.000 0.339 158 W C 0.028 176.434 176.519 -0.189 0.000 1.293 158 W CA 0.501 57.554 57.345 -0.487 0.000 1.288 158 W CB 0.590 29.747 29.460 -0.505 0.000 1.186 158 W HN 0.345 nan 8.180 nan 0.000 0.566 159 V N 5.576 124.744 119.914 -1.243 0.000 3.485 159 V HA 0.480 4.600 4.120 -0.000 0.000 0.280 159 V C 0.888 176.113 176.094 -1.449 0.000 1.495 159 V CA 0.509 62.169 62.300 -1.068 0.000 1.018 159 V CB -0.291 30.911 31.823 -1.035 0.000 0.818 159 V HN 1.075 nan 8.190 nan 0.000 0.436 160 G N -0.578 106.694 108.800 -2.546 0.000 2.347 160 G HA2 0.170 4.130 3.960 -0.000 0.000 0.477 160 G HA3 0.170 4.130 3.960 -0.000 0.000 0.477 160 G C -1.825 172.686 174.900 -0.649 0.000 1.349 160 G CA -0.256 44.043 45.100 -1.335 0.000 1.000 160 G HN 0.022 nan 8.290 nan 0.000 0.605 161 Y N -0.209 119.968 120.300 -0.205 0.000 2.773 161 Y HA 0.852 5.402 4.550 -0.000 0.000 0.323 161 Y C 0.527 176.302 175.900 -0.209 0.000 1.183 161 Y CA 0.114 58.009 58.100 -0.343 0.000 1.144 161 Y CB 1.947 40.366 38.460 -0.069 0.000 1.340 161 Y HN 1.725 nan 8.280 nan 0.000 0.531 162 G N 1.207 109.388 108.800 -1.032 0.000 2.547 162 G HA2 0.551 4.511 3.960 -0.000 0.000 0.291 162 G HA3 0.551 4.511 3.960 -0.000 0.000 0.291 162 G C -2.279 172.293 174.900 -0.547 0.000 1.471 162 G CA -0.904 43.885 45.100 -0.518 0.000 0.798 162 G HN 0.585 nan 8.290 nan 0.000 0.504 163 Q N -0.331 119.361 119.800 -0.181 0.000 2.615 163 Q HA 0.541 4.881 4.340 -0.000 0.000 0.298 163 Q C -1.438 174.581 176.000 0.032 0.000 1.023 163 Q CA -0.877 54.892 55.803 -0.058 0.000 0.768 163 Q CB 2.892 31.618 28.738 -0.021 0.000 1.500 163 Q HN 0.790 nan 8.270 nan 0.000 0.441 164 D N 0.457 120.903 120.400 0.077 0.000 4.520 164 D HA -0.098 4.542 4.640 -0.000 0.000 0.245 164 D C -0.222 176.129 176.300 0.085 0.000 1.068 164 D CA 0.735 54.790 54.000 0.092 0.000 1.211 164 D CB -0.369 40.473 40.800 0.070 0.000 0.818 164 D HN 0.644 nan 8.370 nan 0.000 0.392 165 S N 2.866 118.630 115.700 0.107 0.000 2.462 165 S HA -0.193 4.277 4.470 -0.000 0.000 0.243 165 S C 1.631 176.320 174.600 0.147 0.000 1.003 165 S CA 0.893 59.168 58.200 0.126 0.000 0.970 165 S CB 0.162 63.477 63.200 0.193 0.000 0.762 165 S HN 0.439 nan 8.310 nan 0.000 0.510 166 R N 0.075 120.650 120.500 0.125 0.000 2.312 166 R HA 0.465 4.805 4.340 -0.000 0.000 0.205 166 R C -0.062 176.300 176.300 0.102 0.000 0.904 166 R CA -0.003 56.181 56.100 0.139 0.000 1.052 166 R CB -0.377 30.022 30.300 0.165 0.000 1.014 166 R HN 0.358 nan 8.270 nan 0.000 0.503 167 L N 1.254 122.510 121.223 0.055 0.000 2.354 167 L HA 0.490 4.830 4.340 -0.000 0.000 0.269 167 L C -2.246 174.614 176.870 -0.015 0.000 1.005 167 L CA -2.414 52.440 54.840 0.023 0.000 0.819 167 L CB 2.195 44.266 42.059 0.020 0.000 1.311 167 L HN -0.148 nan 8.230 nan 0.000 0.423 168 P HA 0.042 nan 4.420 nan 0.000 0.266 168 P C -0.942 176.360 177.300 0.002 0.000 1.195 168 P CA -0.087 62.996 63.100 -0.029 0.000 0.768 168 P CB 0.659 32.319 31.700 -0.066 0.000 0.838 169 S N 1.631 117.387 115.700 0.094 0.000 2.530 169 S HA 0.270 4.740 4.470 -0.000 0.000 0.322 169 S C -0.400 174.335 174.600 0.224 0.000 1.085 169 S CA -0.648 57.633 58.200 0.135 0.000 1.096 169 S CB 0.571 63.972 63.200 0.336 0.000 0.988 169 S HN 0.355 nan 8.310 nan 0.000 0.466 170 E N 2.316 122.529 120.200 0.023 0.000 2.202 170 E HA 0.650 5.000 4.350 -0.000 0.000 0.272 170 E C -1.256 175.255 176.600 -0.148 0.000 0.951 170 E CA -0.648 55.820 56.400 0.113 0.000 0.813 170 E CB 1.473 31.253 29.700 0.134 0.000 1.151 170 E HN 0.372 nan 8.360 nan 0.000 0.398 171 F N 0.240 120.254 119.950 0.108 0.000 2.613 171 F HA 0.242 4.769 4.527 -0.000 0.000 0.314 171 F C -0.340 175.484 175.800 0.040 0.000 1.075 171 F CA -1.055 56.966 58.000 0.035 0.000 0.945 171 F CB 1.913 40.893 39.000 -0.033 0.000 1.310 171 F HN 0.322 nan 8.300 nan 0.000 0.467 172 D N 1.649 122.189 120.400 0.233 0.000 2.280 172 D HA 0.407 5.047 4.640 -0.000 0.000 0.243 172 D C 0.284 176.702 176.300 0.197 0.000 1.129 172 D CA 0.261 54.373 54.000 0.187 0.000 0.848 172 D CB 1.022 41.919 40.800 0.161 0.000 1.107 172 D HN 0.470 nan 8.370 nan 0.000 0.471 173 L N 2.080 123.420 121.223 0.194 0.000 2.609 173 L HA 0.018 4.358 4.340 -0.000 0.000 0.230 173 L C 2.109 179.196 176.870 0.361 0.000 1.087 173 L CA -0.025 54.942 54.840 0.212 0.000 0.874 173 L CB 0.049 42.200 42.059 0.155 0.000 1.114 173 L HN 0.309 nan 8.230 nan 0.000 0.488 174 S N 1.412 117.277 115.700 0.275 0.000 2.414 174 S HA -0.337 4.133 4.470 -0.000 0.000 0.241 174 S C 1.963 176.705 174.600 0.237 0.000 1.079 174 S CA 1.823 60.162 58.200 0.232 0.000 1.087 174 S CB -0.416 62.883 63.200 0.165 0.000 0.927 174 S HN 0.536 nan 8.310 nan 0.000 0.456 175 A N -0.477 122.517 122.820 0.290 0.000 2.235 175 A HA 0.327 4.647 4.320 -0.000 0.000 0.208 175 A C 1.156 178.721 177.584 -0.031 0.000 1.172 175 A CA 0.478 52.558 52.037 0.071 0.000 0.786 175 A CB -0.401 18.522 19.000 -0.128 0.000 0.804 175 A HN 0.498 nan 8.150 nan 0.000 0.479 176 F N -1.276 118.716 119.950 0.070 0.000 2.789 176 F HA 0.354 4.880 4.527 -0.000 0.000 0.320 176 F C 0.554 176.388 175.800 0.057 0.000 1.079 176 F CA -0.990 57.047 58.000 0.061 0.000 1.205 176 F CB -0.126 38.912 39.000 0.064 0.000 1.046 176 F HN -0.098 nan 8.300 nan 0.000 0.586 177 L N 3.256 124.651 121.223 0.287 0.000 2.453 177 L HA 0.201 4.541 4.340 -0.000 0.000 0.272 177 L C 0.594 177.522 176.870 0.098 0.000 1.182 177 L CA 0.176 55.122 54.840 0.177 0.000 0.858 177 L CB 0.581 42.762 42.059 0.204 0.000 1.120 177 L HN 0.245 nan 8.230 nan 0.000 0.474 178 R N 3.558 124.078 120.500 0.032 0.000 2.358 178 R HA 0.597 4.937 4.340 -0.000 0.000 0.309 178 R C -0.374 175.908 176.300 -0.030 0.000 1.026 178 R CA -0.678 55.423 56.100 0.001 0.000 0.909 178 R CB 1.133 31.426 30.300 -0.013 0.000 1.153 178 R HN 0.602 nan 8.270 nan 0.000 0.515 179 A N 2.972 125.786 122.820 -0.010 0.000 2.622 179 A HA 0.261 4.581 4.320 -0.000 0.000 0.236 179 A C 1.379 178.925 177.584 -0.063 0.000 1.003 179 A CA 1.396 53.416 52.037 -0.028 0.000 0.781 179 A CB -0.830 18.162 19.000 -0.014 0.000 0.902 179 A HN 1.501 nan 8.150 nan 0.000 0.496 180 G N 1.439 110.187 108.800 -0.086 0.000 2.652 180 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.278 180 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.278 180 G C 0.265 175.065 174.900 -0.168 0.000 1.263 180 G CA 0.582 45.618 45.100 -0.107 0.000 0.966 180 G HN 1.381 nan 8.290 nan 0.000 0.544 181 E N 2.359 122.462 120.200 -0.161 0.000 1.865 181 E HA 0.339 4.689 4.350 -0.000 0.000 0.269 181 E C -0.316 176.115 176.600 -0.282 0.000 1.177 181 E CA -0.276 55.996 56.400 -0.214 0.000 0.932 181 E CB -0.321 29.292 29.700 -0.145 0.000 1.066 181 E HN 0.367 nan 8.360 nan 0.000 0.405 182 N N 3.458 121.842 118.700 -0.526 0.000 2.361 182 N HA 0.326 5.066 4.740 -0.000 0.000 0.302 182 N C -0.863 174.239 175.510 -0.679 0.000 1.074 182 N CA -0.594 52.083 53.050 -0.621 0.000 0.850 182 N CB 1.885 39.858 38.487 -0.858 0.000 1.228 182 N HN 0.365 nan 8.380 nan 0.000 0.491 183 R N 2.291 122.624 120.500 -0.278 0.000 2.476 183 R HA 0.435 4.775 4.340 -0.000 0.000 0.305 183 R C -1.174 175.167 176.300 0.068 0.000 0.965 183 R CA -0.514 55.539 56.100 -0.078 0.000 0.867 183 R CB 0.828 31.085 30.300 -0.072 0.000 1.176 183 R HN 0.485 nan 8.270 nan 0.000 0.447 184 L N 3.180 124.529 121.223 0.209 0.000 2.334 184 L HA 0.673 5.013 4.340 -0.000 0.000 0.277 184 L C -0.400 176.571 176.870 0.168 0.000 1.075 184 L CA -0.517 54.448 54.840 0.209 0.000 0.804 184 L CB 1.815 43.998 42.059 0.207 0.000 1.174 184 L HN 0.864 nan 8.230 nan 0.000 0.438 185 A N 3.858 126.785 122.820 0.178 0.000 2.499 185 A HA 0.629 4.949 4.320 -0.000 0.000 0.280 185 A C -1.068 176.794 177.584 0.463 0.000 1.135 185 A CA -0.432 51.720 52.037 0.192 0.000 0.744 185 A CB 1.167 19.940 19.000 -0.378 0.000 1.213 185 A HN 0.352 nan 8.150 nan 0.000 0.434 186 V N 3.109 123.457 119.914 0.723 0.000 2.481 186 V HA 0.519 4.639 4.120 -0.000 0.000 0.286 186 V C 0.313 176.932 176.094 0.874 0.000 1.042 186 V CA -0.269 62.464 62.300 0.723 0.000 0.928 186 V CB 1.542 33.685 31.823 0.533 0.000 0.986 186 V HN 0.935 nan 8.190 nan 0.000 0.462 187 M N 5.955 126.052 119.600 0.827 0.000 2.325 187 M HA 0.451 4.931 4.480 -0.000 0.000 0.305 187 M C -1.228 175.357 176.300 0.476 0.000 1.047 187 M CA -0.365 55.330 55.300 0.658 0.000 0.981 187 M CB 0.746 33.886 32.600 0.899 0.000 1.307 187 M HN 0.434 nan 8.290 nan 0.000 0.418 188 V N 5.378 125.545 119.914 0.421 0.000 2.439 188 V HA 0.221 4.341 4.120 -0.000 0.000 0.271 188 V C 0.508 176.807 176.094 0.342 0.000 1.040 188 V CA -0.303 62.237 62.300 0.400 0.000 1.002 188 V CB 0.125 32.219 31.823 0.452 0.000 1.000 188 V HN 0.717 nan 8.190 nan 0.000 0.477 189 L N 4.691 126.054 121.223 0.233 0.000 2.416 189 L HA 0.549 4.889 4.340 -0.000 0.000 0.262 189 L C 1.404 178.322 176.870 0.080 0.000 1.093 189 L CA -0.561 54.336 54.840 0.096 0.000 0.801 189 L CB 1.134 43.154 42.059 -0.066 0.000 1.191 189 L HN 0.611 nan 8.230 nan 0.000 0.459 190 R N 0.318 120.769 120.500 -0.081 0.000 2.087 190 R HA 0.084 4.424 4.340 -0.000 0.000 0.213 190 R C -0.181 175.832 176.300 -0.479 0.000 1.137 190 R CA 0.554 56.390 56.100 -0.441 0.000 1.022 190 R CB 0.298 30.132 30.300 -0.777 0.000 0.920 190 R HN 0.558 nan 8.270 nan 0.000 0.451 191 W N 0.251 121.615 121.300 0.107 0.000 2.390 191 W HA 0.416 5.076 4.660 -0.000 0.000 0.362 191 W C 0.269 176.898 176.519 0.183 0.000 1.206 191 W CA -0.342 57.082 57.345 0.132 0.000 1.355 191 W CB 1.017 30.554 29.460 0.130 0.000 1.278 191 W HN 0.062 nan 8.180 nan 0.000 0.653 192 S N -1.395 114.643 115.700 0.562 0.000 2.692 192 S HA -0.020 4.449 4.470 -0.000 0.000 0.266 192 S C -0.116 174.820 174.600 0.559 0.000 1.012 192 S CA -0.146 58.401 58.200 0.577 0.000 0.903 192 S CB 0.017 63.505 63.200 0.480 0.000 1.164 192 S HN 0.647 nan 8.310 nan 0.000 0.472 193 D N 0.708 121.411 120.400 0.505 0.000 2.219 193 D HA 0.124 4.764 4.640 -0.000 0.000 0.205 193 D C 1.735 178.357 176.300 0.537 0.000 0.970 193 D CA 1.277 55.570 54.000 0.488 0.000 0.851 193 D CB -0.768 40.191 40.800 0.265 0.000 0.943 193 D HN 0.852 nan 8.370 nan 0.000 0.488 194 G N -0.408 108.641 108.800 0.416 0.000 2.848 194 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.208 194 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.208 194 G C 1.326 176.435 174.900 0.349 0.000 1.152 194 G CA 0.320 45.632 45.100 0.353 0.000 0.789 194 G HN 0.293 nan 8.290 nan 0.000 0.531 195 S N -0.391 115.549 115.700 0.401 0.000 2.496 195 S HA 0.047 4.517 4.470 -0.000 0.000 0.224 195 S C 1.555 176.348 174.600 0.321 0.000 0.996 195 S CA 0.037 58.452 58.200 0.358 0.000 0.927 195 S CB -0.226 63.234 63.200 0.434 0.000 0.774 195 S HN 0.488 nan 8.310 nan 0.000 0.524 196 Y N 1.059 121.499 120.300 0.234 0.000 2.544 196 Y HA 0.273 4.823 4.550 -0.000 0.000 0.286 196 Y C 1.478 177.486 175.900 0.180 0.000 1.141 196 Y CA 0.495 58.682 58.100 0.144 0.000 1.299 196 Y CB 0.001 38.380 38.460 -0.134 0.000 1.030 196 Y HN 0.186 nan 8.280 nan 0.000 0.543 197 L N -0.331 121.079 121.223 0.311 0.000 2.769 197 L HA 0.169 4.508 4.340 -0.000 0.000 0.240 197 L C 0.069 177.070 176.870 0.217 0.000 1.163 197 L CA 0.459 55.429 54.840 0.217 0.000 0.962 197 L CB 0.180 42.366 42.059 0.212 0.000 1.258 197 L HN 0.176 nan 8.230 nan 0.000 0.513 198 E N -0.505 119.841 120.200 0.242 0.000 2.869 198 E HA 0.009 4.359 4.350 -0.000 0.000 0.207 198 E C -0.233 176.465 176.600 0.164 0.000 0.986 198 E CA -0.110 56.417 56.400 0.213 0.000 1.131 198 E CB 0.474 30.297 29.700 0.205 0.000 1.098 198 E HN 0.042 nan 8.360 nan 0.000 0.459 199 D N 1.389 121.842 120.400 0.088 0.000 2.663 199 D HA -0.003 4.637 4.640 -0.000 0.000 0.243 199 D C -0.223 176.064 176.300 -0.021 0.000 1.218 199 D CA 0.062 53.999 54.000 -0.105 0.000 0.846 199 D CB -0.039 40.438 40.800 -0.539 0.000 1.014 199 D HN 0.030 nan 8.370 nan 0.000 0.476 200 Q N 0.265 120.148 119.800 0.138 0.000 2.432 200 Q HA 0.118 4.458 4.340 -0.000 0.000 0.264 200 Q C -0.201 175.897 176.000 0.163 0.000 1.035 200 Q CA 0.146 56.105 55.803 0.259 0.000 0.908 200 Q CB 0.608 29.647 28.738 0.503 0.000 1.280 200 Q HN 0.171 nan 8.270 nan 0.000 0.455 201 D N 2.378 122.908 120.400 0.217 0.000 2.435 201 D HA 0.321 4.961 4.640 -0.000 0.000 0.230 201 D C -0.620 175.791 176.300 0.185 0.000 1.215 201 D CA -0.150 53.907 54.000 0.096 0.000 0.947 201 D CB -0.158 40.709 40.800 0.112 0.000 1.048 201 D HN 0.465 nan 8.370 nan 0.000 0.512 202 M N 1.316 120.950 119.600 0.057 0.000 2.956 202 M HA 0.293 4.773 4.480 -0.000 0.000 0.272 202 M C -1.590 174.771 176.300 0.101 0.000 1.132 202 M CA -1.028 54.323 55.300 0.085 0.000 0.805 202 M CB 0.731 33.316 32.600 -0.026 0.000 1.639 202 M HN 0.084 nan 8.290 nan 0.000 0.520 203 W N 1.936 123.357 121.300 0.203 0.000 2.257 203 W HA 0.256 4.916 4.660 -0.000 0.000 0.337 203 W C 0.445 176.975 176.519 0.019 0.000 1.321 203 W CA 0.122 57.558 57.345 0.151 0.000 1.267 203 W CB 0.304 29.812 29.460 0.081 0.000 1.187 203 W HN 0.373 nan 8.180 nan 0.000 0.565 204 R N 4.599 125.250 120.500 0.252 0.000 2.891 204 R HA 0.225 4.565 4.340 -0.000 0.000 0.248 204 R C 0.180 176.500 176.300 0.033 0.000 1.439 204 R CA -0.110 56.073 56.100 0.138 0.000 1.288 204 R CB -0.762 29.660 30.300 0.204 0.000 1.212 204 R HN 0.556 nan 8.270 nan 0.000 0.605 205 M N -0.097 119.453 119.600 -0.085 0.000 2.219 205 M HA 0.308 4.788 4.480 -0.000 0.000 0.203 205 M C 0.314 176.366 176.300 -0.413 0.000 1.009 205 M CA -0.041 55.102 55.300 -0.262 0.000 1.681 205 M CB 0.451 32.866 32.600 -0.308 0.000 1.077 205 M HN 0.545 nan 8.290 nan 0.000 0.827 206 S N -1.591 113.794 115.700 -0.525 0.000 2.752 206 S HA 0.558 5.028 4.470 -0.000 0.000 0.279 206 S C -0.749 173.428 174.600 -0.705 0.000 0.949 206 S CA -0.509 57.297 58.200 -0.657 0.000 0.916 206 S CB 0.234 62.853 63.200 -0.968 0.000 1.157 206 S HN 1.650 nan 8.310 nan 0.000 0.459 207 G N 0.793 109.353 108.800 -0.400 0.000 2.331 207 G HA2 0.184 4.144 3.960 -0.000 0.000 0.479 207 G HA3 0.184 4.144 3.960 -0.000 0.000 0.479 207 G C -1.176 173.680 174.900 -0.073 0.000 1.262 207 G CA -0.493 44.601 45.100 -0.010 0.000 1.029 207 G HN 1.507 nan 8.290 nan 0.000 0.487 208 I N 2.226 122.645 120.570 -0.251 0.000 2.317 208 I HA 0.272 4.442 4.170 -0.000 0.000 0.286 208 I C 1.260 177.198 176.117 -0.299 0.000 1.119 208 I CA -0.316 60.714 61.300 -0.450 0.000 1.228 208 I CB -0.176 37.381 38.000 -0.739 0.000 1.476 208 I HN 0.504 nan 8.210 nan 0.000 0.514 209 F N 3.394 123.206 119.950 -0.231 0.000 2.754 209 F HA 0.373 4.900 4.527 -0.000 0.000 0.297 209 F C 0.983 176.700 175.800 -0.138 0.000 1.122 209 F CA -0.365 57.523 58.000 -0.186 0.000 1.400 209 F CB -0.140 38.752 39.000 -0.179 0.000 1.117 209 F HN 0.089 nan 8.300 nan 0.000 0.587 210 R N 0.918 121.151 120.500 -0.444 0.000 2.944 210 R HA 0.260 4.600 4.340 -0.000 0.000 0.233 210 R C -0.537 175.643 176.300 -0.200 0.000 1.346 210 R CA -0.996 55.001 56.100 -0.172 0.000 1.082 210 R CB 0.270 30.468 30.300 -0.169 0.000 1.434 210 R HN 0.015 nan 8.270 nan 0.000 0.510 211 D N 0.286 120.604 120.400 -0.136 0.000 2.352 211 D HA 0.187 4.827 4.640 -0.000 0.000 0.238 211 D C -0.387 175.771 176.300 -0.236 0.000 1.286 211 D CA 0.045 53.954 54.000 -0.152 0.000 0.923 211 D CB 0.409 41.154 40.800 -0.093 0.000 1.146 211 D HN 0.018 nan 8.370 nan 0.000 0.471 212 V N 0.071 119.845 119.914 -0.234 0.000 2.569 212 V HA 0.503 4.623 4.120 -0.000 0.000 0.301 212 V C -0.365 175.594 176.094 -0.225 0.000 1.044 212 V CA -0.607 61.481 62.300 -0.354 0.000 0.874 212 V CB 1.383 32.971 31.823 -0.392 0.000 1.002 212 V HN 0.736 nan 8.190 nan 0.000 0.424 213 S N 4.930 120.491 115.700 -0.232 0.000 2.811 213 S HA 0.900 5.370 4.470 -0.000 0.000 0.311 213 S C -1.031 173.524 174.600 -0.076 0.000 1.152 213 S CA -1.016 57.117 58.200 -0.112 0.000 0.864 213 S CB 2.272 65.442 63.200 -0.050 0.000 1.226 213 S HN 0.461 nan 8.310 nan 0.000 0.541 214 L N 1.324 122.560 121.223 0.021 0.000 2.482 214 L HA 0.504 4.844 4.340 -0.000 0.000 0.269 214 L C -1.879 175.067 176.870 0.126 0.000 0.967 214 L CA -0.640 54.263 54.840 0.106 0.000 0.851 214 L CB 1.867 44.054 42.059 0.213 0.000 1.242 214 L HN 0.517 nan 8.230 nan 0.000 0.404 215 L N 3.274 124.530 121.223 0.055 0.000 2.313 215 L HA 0.490 4.830 4.340 -0.000 0.000 0.283 215 L C -0.536 176.227 176.870 -0.179 0.000 1.013 215 L CA -0.239 54.584 54.840 -0.027 0.000 0.816 215 L CB 1.167 43.235 42.059 0.015 0.000 1.236 215 L HN 0.416 nan 8.230 nan 0.000 0.419 216 H N 4.564 123.306 119.070 -0.547 0.000 2.604 216 H HA 0.509 5.065 4.556 -0.000 0.000 0.306 216 H C -0.950 174.114 175.328 -0.440 0.000 1.075 216 H CA 0.053 55.612 56.048 -0.814 0.000 1.357 216 H CB 0.629 29.358 29.762 -1.721 0.000 1.426 216 H HN 0.597 nan 8.280 nan 0.000 0.470 217 K N 5.605 125.558 120.400 -0.744 0.000 2.385 217 K HA 0.387 4.707 4.320 -0.000 0.000 0.248 217 K C -2.694 173.543 176.600 -0.605 0.000 0.955 217 K CA -2.277 53.684 56.287 -0.543 0.000 0.816 217 K CB 1.961 34.258 32.500 -0.340 0.000 1.250 217 K HN 0.463 nan 8.250 nan 0.000 0.434 218 P HA 0.037 nan 4.420 nan 0.000 0.273 218 P C 0.276 177.441 177.300 -0.225 0.000 1.250 218 P CA -0.140 62.791 63.100 -0.282 0.000 0.793 218 P CB 0.394 31.983 31.700 -0.185 0.000 1.011 219 T N -3.792 110.670 114.554 -0.154 0.000 3.023 219 T HA 0.000 4.350 4.350 -0.000 0.000 0.266 219 T C 0.617 175.244 174.700 -0.121 0.000 1.093 219 T CA 1.065 63.095 62.100 -0.117 0.000 1.129 219 T CB -0.669 68.155 68.868 -0.072 0.000 0.899 219 T HN 0.282 nan 8.240 nan 0.000 0.491 220 T N 3.180 117.655 114.554 -0.132 0.000 3.053 220 T HA 0.390 4.739 4.350 -0.000 0.000 0.363 220 T C -0.469 174.133 174.700 -0.164 0.000 1.239 220 T CA -0.822 61.189 62.100 -0.148 0.000 1.071 220 T CB 0.644 69.424 68.868 -0.147 0.000 1.089 220 T HN 0.590 nan 8.240 nan 0.000 0.527 221 Q N 2.223 121.914 119.800 -0.183 0.000 2.445 221 Q HA 0.655 4.995 4.340 -0.000 0.000 0.281 221 Q C -0.870 175.001 176.000 -0.214 0.000 1.101 221 Q CA -1.174 54.501 55.803 -0.213 0.000 0.833 221 Q CB 1.593 30.178 28.738 -0.256 0.000 1.416 221 Q HN 0.405 nan 8.270 nan 0.000 0.451 222 I N 2.979 123.391 120.570 -0.264 0.000 2.406 222 I HA -0.047 4.123 4.170 -0.000 0.000 0.293 222 I C 1.164 177.067 176.117 -0.357 0.000 1.101 222 I CA 0.046 61.196 61.300 -0.250 0.000 1.334 222 I CB 0.957 38.767 38.000 -0.316 0.000 1.421 222 I HN 0.884 nan 8.210 nan 0.000 0.513 223 S N 3.472 119.080 115.700 -0.154 0.000 2.461 223 S HA -0.003 4.467 4.470 -0.000 0.000 0.228 223 S C 0.410 175.106 174.600 0.160 0.000 1.005 223 S CA 0.301 58.450 58.200 -0.085 0.000 0.942 223 S CB 0.090 63.283 63.200 -0.012 0.000 0.776 223 S HN 0.765 nan 8.310 nan 0.000 0.514 224 D N -0.893 119.685 120.400 0.297 0.000 2.798 224 D HA 0.458 5.098 4.640 -0.000 0.000 0.265 224 D C -1.750 174.892 176.300 0.570 0.000 1.223 224 D CA -0.763 53.563 54.000 0.542 0.000 0.743 224 D CB 0.916 41.905 40.800 0.316 0.000 1.276 224 D HN 0.205 nan 8.370 nan 0.000 0.421 225 F N -0.758 119.337 119.950 0.242 0.000 2.678 225 F HA 0.679 5.206 4.527 -0.000 0.000 0.308 225 F C -1.453 174.537 175.800 0.315 0.000 1.118 225 F CA -0.696 57.386 58.000 0.135 0.000 0.959 225 F CB 1.054 40.118 39.000 0.106 0.000 1.305 225 F HN 0.354 nan 8.300 nan 0.000 0.443 226 H N 0.219 119.266 119.070 -0.038 0.000 2.865 226 H HA 0.883 5.439 4.556 -0.000 0.000 0.372 226 H C -1.470 173.802 175.328 -0.095 0.000 1.173 226 H CA -1.588 54.372 56.048 -0.146 0.000 1.147 226 H CB 2.826 32.528 29.762 -0.101 0.000 1.805 226 H HN 0.605 nan 8.280 nan 0.000 0.553 227 V N 0.744 120.660 119.914 0.003 0.000 2.841 227 V HA 0.748 4.868 4.120 -0.000 0.000 0.310 227 V C -0.811 175.232 176.094 -0.085 0.000 1.090 227 V CA -0.730 61.542 62.300 -0.046 0.000 0.930 227 V CB 1.707 33.484 31.823 -0.077 0.000 1.014 227 V HN 0.952 nan 8.190 nan 0.000 0.425 228 A N 2.052 124.805 122.820 -0.112 0.000 2.517 228 A HA 0.876 5.196 4.320 -0.000 0.000 0.297 228 A C -0.409 177.058 177.584 -0.195 0.000 1.050 228 A CA -0.232 51.730 52.037 -0.126 0.000 0.694 228 A CB 2.023 20.977 19.000 -0.077 0.000 1.277 228 A HN 1.071 nan 8.150 nan 0.000 0.400 229 T N 0.036 114.457 114.554 -0.222 0.000 2.888 229 T HA 0.869 5.219 4.350 -0.000 0.000 0.284 229 T C -0.370 174.106 174.700 -0.374 0.000 1.017 229 T CA -0.745 61.136 62.100 -0.365 0.000 1.022 229 T CB 1.239 69.832 68.868 -0.458 0.000 1.013 229 T HN 0.806 nan 8.240 nan 0.000 0.465 230 R N 1.366 121.487 120.500 -0.631 0.000 2.668 230 R HA 0.712 5.052 4.340 -0.000 0.000 0.272 230 R C -1.535 174.325 176.300 -0.733 0.000 1.019 230 R CA -0.805 55.022 56.100 -0.455 0.000 0.894 230 R CB 1.640 31.825 30.300 -0.193 0.000 1.228 230 R HN 0.559 nan 8.270 nan 0.000 0.460 231 F N 0.085 120.001 119.950 -0.057 0.000 2.664 231 F HA 0.429 4.955 4.527 -0.000 0.000 0.329 231 F C 0.546 176.224 175.800 -0.205 0.000 1.090 231 F CA -1.223 56.696 58.000 -0.135 0.000 0.978 231 F CB 0.750 39.573 39.000 -0.295 0.000 1.378 231 F HN 0.494 nan 8.300 nan 0.000 0.495 232 N N 0.270 118.970 118.700 0.001 0.000 2.364 232 N HA 0.032 4.772 4.740 -0.000 0.000 0.264 232 N C 0.462 175.861 175.510 -0.184 0.000 1.263 232 N CA 0.118 53.127 53.050 -0.068 0.000 0.959 232 N CB 0.281 38.750 38.487 -0.029 0.000 1.204 232 N HN 0.732 nan 8.380 nan 0.000 0.550 233 D N -0.843 119.488 120.400 -0.116 0.000 2.158 233 D HA -0.256 4.384 4.640 -0.000 0.000 0.197 233 D C 0.376 176.589 176.300 -0.145 0.000 0.995 233 D CA 1.636 55.566 54.000 -0.117 0.000 0.846 233 D CB -0.514 40.261 40.800 -0.041 0.000 0.941 233 D HN 0.739 nan 8.370 nan 0.000 0.456 234 D N -1.185 119.169 120.400 -0.076 0.000 2.772 234 D HA 0.007 4.647 4.640 -0.000 0.000 0.272 234 D C 0.016 176.453 176.300 0.229 0.000 1.314 234 D CA -0.982 53.073 54.000 0.091 0.000 0.835 234 D CB -1.122 39.740 40.800 0.105 0.000 1.080 234 D HN 0.149 nan 8.370 nan 0.000 0.482 235 F N 0.249 120.236 119.950 0.061 0.000 3.059 235 F HA -0.341 4.186 4.527 -0.000 0.000 0.290 235 F C 1.834 177.702 175.800 0.113 0.000 0.786 235 F CA 0.970 59.021 58.000 0.085 0.000 1.060 235 F CB -2.521 36.431 39.000 -0.079 0.000 1.327 235 F HN 0.096 nan 8.300 nan 0.000 0.409 236 S N -0.673 115.130 115.700 0.173 0.000 2.419 236 S HA -0.077 4.393 4.470 -0.000 0.000 0.233 236 S C 0.863 175.524 174.600 0.102 0.000 1.016 236 S CA 1.175 59.447 58.200 0.120 0.000 0.974 236 S CB -0.013 63.230 63.200 0.071 0.000 0.786 236 S HN 0.442 nan 8.310 nan 0.000 0.492 237 R N 0.087 120.654 120.500 0.112 0.000 2.707 237 R HA 0.822 5.162 4.340 -0.000 0.000 0.272 237 R C -1.108 175.247 176.300 0.091 0.000 1.011 237 R CA -0.509 55.632 56.100 0.069 0.000 0.893 237 R CB 1.690 32.000 30.300 0.017 0.000 1.233 237 R HN 0.163 nan 8.270 nan 0.000 0.464 238 A N 0.796 123.619 122.820 0.005 0.000 2.564 238 A HA 0.795 5.115 4.320 -0.000 0.000 0.288 238 A C -1.343 176.169 177.584 -0.120 0.000 1.164 238 A CA -0.725 51.230 52.037 -0.137 0.000 0.712 238 A CB 2.248 21.110 19.000 -0.230 0.000 1.303 238 A HN 0.294 nan 8.150 nan 0.000 0.418 239 V N 1.019 120.816 119.914 -0.194 0.000 2.577 239 V HA 0.421 4.541 4.120 -0.000 0.000 0.303 239 V C -1.226 174.792 176.094 -0.128 0.000 1.042 239 V CA -0.479 61.750 62.300 -0.119 0.000 0.872 239 V CB 1.529 33.281 31.823 -0.119 0.000 0.998 239 V HN 0.821 nan 8.190 nan 0.000 0.423 240 L N 4.930 126.113 121.223 -0.066 0.000 2.260 240 L HA 0.503 4.843 4.340 -0.000 0.000 0.289 240 L C 0.180 176.988 176.870 -0.102 0.000 1.057 240 L CA 0.389 55.160 54.840 -0.115 0.000 0.811 240 L CB 0.876 42.888 42.059 -0.078 0.000 1.184 240 L HN 0.796 nan 8.230 nan 0.000 0.429 241 E N 4.649 124.781 120.200 -0.113 0.000 2.267 241 E HA 0.522 4.872 4.350 -0.000 0.000 0.241 241 E C -0.994 175.572 176.600 -0.057 0.000 0.950 241 E CA -0.588 55.763 56.400 -0.082 0.000 0.776 241 E CB 0.695 30.346 29.700 -0.082 0.000 1.207 241 E HN 0.828 nan 8.360 nan 0.000 0.436 242 A N 4.157 126.951 122.820 -0.043 0.000 2.328 242 A HA 0.238 4.558 4.320 -0.000 0.000 0.284 242 A C -0.174 177.392 177.584 -0.031 0.000 1.160 242 A CA -0.406 51.629 52.037 -0.004 0.000 0.818 242 A CB 0.703 19.713 19.000 0.017 0.000 1.087 242 A HN 0.670 nan 8.150 nan 0.000 0.504 243 E N 2.716 122.898 120.200 -0.030 0.000 2.176 243 E HA 0.557 4.907 4.350 -0.000 0.000 0.267 243 E C -1.583 174.952 176.600 -0.108 0.000 0.893 243 E CA -0.457 55.873 56.400 -0.117 0.000 0.761 243 E CB 1.470 31.049 29.700 -0.202 0.000 1.133 243 E HN 0.411 nan 8.360 nan 0.000 0.409 244 V N 3.508 123.353 119.914 -0.115 0.000 2.680 244 V HA 0.391 4.511 4.120 -0.000 0.000 0.309 244 V C -0.487 175.595 176.094 -0.019 0.000 1.052 244 V CA -0.937 61.340 62.300 -0.039 0.000 0.908 244 V CB 1.768 33.556 31.823 -0.058 0.000 1.001 244 V HN 0.700 nan 8.190 nan 0.000 0.431 245 Q N 3.406 123.251 119.800 0.075 0.000 2.337 245 Q HA 0.753 5.093 4.340 -0.000 0.000 0.266 245 Q C -0.705 175.404 176.000 0.181 0.000 1.023 245 Q CA -0.757 55.132 55.803 0.144 0.000 0.829 245 Q CB 2.525 31.291 28.738 0.046 0.000 1.306 245 Q HN 0.855 nan 8.270 nan 0.000 0.449 246 M N -0.480 119.246 119.600 0.211 0.000 2.706 246 M HA 0.766 5.246 4.480 -0.000 0.000 0.304 246 M C -1.029 175.210 176.300 -0.101 0.000 1.217 246 M CA -0.436 54.851 55.300 -0.021 0.000 0.922 246 M CB 1.767 34.170 32.600 -0.328 0.000 1.637 246 M HN 0.534 nan 8.290 nan 0.000 0.492 247 C N 0.921 120.135 119.300 -0.145 0.000 2.783 247 C HA 0.969 5.429 4.460 -0.000 0.000 0.312 247 C C 0.433 175.336 174.990 -0.145 0.000 1.182 247 C CA 0.941 59.886 59.018 -0.122 0.000 1.432 247 C CB 0.924 28.604 27.740 -0.100 0.000 1.933 247 C HN 1.403 nan 8.230 nan 0.000 0.473 248 G N 3.643 112.372 108.800 -0.117 0.000 2.395 248 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.201 248 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.201 248 G C -1.031 173.805 174.900 -0.106 0.000 1.206 248 G CA -0.561 44.474 45.100 -0.109 0.000 1.210 248 G HN 0.741 nan 8.290 nan 0.000 0.557 249 E N 0.827 120.964 120.200 -0.105 0.000 2.014 249 E HA 0.509 4.859 4.350 -0.000 0.000 0.275 249 E C 0.305 176.837 176.600 -0.113 0.000 0.997 249 E CA -0.403 55.947 56.400 -0.084 0.000 0.804 249 E CB 1.204 30.875 29.700 -0.048 0.000 1.090 249 E HN 0.461 nan 8.360 nan 0.000 0.401 250 L N 3.757 124.903 121.223 -0.128 0.000 2.540 250 L HA 0.062 4.402 4.340 -0.000 0.000 0.276 250 L C 0.188 177.017 176.870 -0.068 0.000 1.212 250 L CA 0.836 55.581 54.840 -0.158 0.000 0.893 250 L CB 0.181 42.159 42.059 -0.134 0.000 1.138 250 L HN 0.424 nan 8.230 nan 0.000 0.491 251 R N 2.590 123.054 120.500 -0.060 0.000 2.510 251 R HA 0.062 4.402 4.340 -0.000 0.000 0.287 251 R C -0.016 176.371 176.300 0.144 0.000 1.084 251 R CA -0.712 55.453 56.100 0.108 0.000 0.934 251 R CB 1.595 32.097 30.300 0.337 0.000 1.201 251 R HN 0.645 nan 8.270 nan 0.000 0.431 252 D N 1.422 121.935 120.400 0.188 0.000 2.244 252 D HA -0.254 4.386 4.640 -0.000 0.000 0.197 252 D C 1.457 177.887 176.300 0.217 0.000 1.006 252 D CA 2.095 56.193 54.000 0.163 0.000 0.888 252 D CB 0.217 41.085 40.800 0.112 0.000 0.912 252 D HN 0.601 nan 8.370 nan 0.000 0.452 253 Y N -0.598 119.684 120.300 -0.031 0.000 2.511 253 Y HA 0.297 4.847 4.550 -0.000 0.000 0.279 253 Y C 0.386 176.249 175.900 -0.062 0.000 1.157 253 Y CA -0.562 57.513 58.100 -0.042 0.000 1.300 253 Y CB -1.302 37.133 38.460 -0.042 0.000 1.052 253 Y HN -0.138 nan 8.280 nan 0.000 0.529 254 L N 2.371 123.410 121.223 -0.308 0.000 2.514 254 L HA 0.170 4.510 4.340 -0.000 0.000 0.280 254 L C 0.305 177.105 176.870 -0.118 0.000 1.223 254 L CA 0.387 55.046 54.840 -0.301 0.000 0.864 254 L CB 0.167 42.090 42.059 -0.227 0.000 1.118 254 L HN 0.085 nan 8.230 nan 0.000 0.494 255 R N 1.512 121.891 120.500 -0.201 0.000 2.867 255 R HA 0.736 5.076 4.340 -0.000 0.000 0.268 255 R C -1.574 174.728 176.300 0.002 0.000 1.014 255 R CA -0.876 55.112 56.100 -0.187 0.000 0.946 255 R CB 2.232 32.204 30.300 -0.546 0.000 1.208 255 R HN 0.249 nan 8.270 nan 0.000 0.477 256 V N 1.746 121.701 119.914 0.068 0.000 2.509 256 V HA 0.384 4.504 4.120 -0.000 0.000 0.289 256 V C -0.788 175.353 176.094 0.079 0.000 1.026 256 V CA -0.638 61.716 62.300 0.090 0.000 0.872 256 V CB 2.028 33.781 31.823 -0.116 0.000 1.017 256 V HN 0.817 nan 8.190 nan 0.000 0.436 257 T N 4.004 118.623 114.554 0.108 0.000 2.875 257 T HA 0.701 5.051 4.350 -0.000 0.000 0.284 257 T C -0.390 174.269 174.700 -0.068 0.000 0.995 257 T CA -0.549 61.542 62.100 -0.015 0.000 1.060 257 T CB 2.079 70.901 68.868 -0.077 0.000 0.967 257 T HN 0.298 nan 8.240 nan 0.000 0.476 258 V N 3.066 122.937 119.914 -0.072 0.000 2.569 258 V HA 0.577 4.697 4.120 -0.000 0.000 0.301 258 V C -0.520 175.520 176.094 -0.090 0.000 1.044 258 V CA -0.775 61.482 62.300 -0.072 0.000 0.874 258 V CB 1.938 33.724 31.823 -0.063 0.000 1.002 258 V HN 1.122 nan 8.190 nan 0.000 0.424 259 S N 5.454 121.105 115.700 -0.082 0.000 2.526 259 S HA 0.839 5.309 4.470 -0.000 0.000 0.293 259 S C -1.146 173.381 174.600 -0.122 0.000 1.092 259 S CA -0.764 57.330 58.200 -0.177 0.000 0.980 259 S CB 2.293 65.342 63.200 -0.252 0.000 1.048 259 S HN 0.436 nan 8.310 nan 0.000 0.483 260 L N 2.517 123.603 121.223 -0.228 0.000 2.287 260 L HA 0.687 5.027 4.340 -0.000 0.000 0.287 260 L C -1.681 175.124 176.870 -0.110 0.000 1.022 260 L CA -0.342 54.459 54.840 -0.064 0.000 0.814 260 L CB 0.517 42.552 42.059 -0.040 0.000 1.217 260 L HN 0.877 nan 8.230 nan 0.000 0.420 261 W N 3.413 124.806 121.300 0.156 0.000 2.736 261 W HA 0.557 5.217 4.660 -0.000 0.000 0.335 261 W C -0.490 176.181 176.519 0.253 0.000 1.059 261 W CA -0.661 56.778 57.345 0.156 0.000 1.226 261 W CB 1.602 31.107 29.460 0.076 0.000 1.416 261 W HN 0.438 nan 8.180 nan 0.000 0.505 262 Q N 2.930 123.009 119.800 0.466 0.000 2.571 262 Q HA 0.520 4.860 4.340 -0.000 0.000 0.243 262 Q C 0.678 176.777 176.000 0.164 0.000 1.055 262 Q CA 0.446 56.383 55.803 0.223 0.000 0.815 262 Q CB 0.576 29.412 28.738 0.164 0.000 1.151 262 Q HN 0.752 nan 8.270 nan 0.000 0.519 263 G N 2.682 111.550 108.800 0.115 0.000 2.557 263 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.292 263 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.292 263 G C 0.571 175.497 174.900 0.044 0.000 1.162 263 G CA 0.396 45.523 45.100 0.045 0.000 0.964 263 G HN 0.601 nan 8.290 nan 0.000 0.541 264 E N 0.918 121.153 120.200 0.059 0.000 2.447 264 E HA 0.151 4.501 4.350 -0.000 0.000 0.195 264 E C 0.511 177.274 176.600 0.272 0.000 1.028 264 E CA 0.575 57.001 56.400 0.043 0.000 0.876 264 E CB 0.249 29.943 29.700 -0.010 0.000 0.885 264 E HN 0.376 nan 8.360 nan 0.000 0.500 265 T N 1.299 116.059 114.554 0.343 0.000 2.845 265 T HA 0.111 4.461 4.350 -0.000 0.000 0.288 265 T C -0.108 174.877 174.700 0.475 0.000 0.980 265 T CA -0.274 62.045 62.100 0.365 0.000 1.071 265 T CB 1.749 70.728 68.868 0.185 0.000 0.941 265 T HN -0.019 nan 8.240 nan 0.000 0.487 266 Q N 2.380 122.207 119.800 0.045 0.000 2.288 266 Q HA 0.254 4.594 4.340 -0.000 0.000 0.258 266 Q C 0.504 176.311 176.000 -0.322 0.000 0.957 266 Q CA -0.346 54.980 55.803 -0.794 0.000 0.919 266 Q CB 0.813 28.907 28.738 -1.074 0.000 1.185 266 Q HN 0.621 nan 8.270 nan 0.000 0.408 267 V N 1.241 120.997 119.914 -0.263 0.000 3.263 267 V HA 0.435 4.555 4.120 -0.000 0.000 0.248 267 V C 0.274 176.277 176.094 -0.152 0.000 1.145 267 V CA 0.529 62.766 62.300 -0.104 0.000 1.107 267 V CB 0.213 32.058 31.823 0.038 0.000 0.797 267 V HN 0.686 nan 8.190 nan 0.000 0.467 268 A N -0.582 122.098 122.820 -0.232 0.000 2.547 268 A HA 0.729 5.049 4.320 -0.000 0.000 0.298 268 A C -0.790 176.652 177.584 -0.235 0.000 1.062 268 A CA -0.005 51.915 52.037 -0.195 0.000 0.748 268 A CB 1.721 20.643 19.000 -0.130 0.000 1.288 268 A HN 0.076 nan 8.150 nan 0.000 0.396 269 S N 0.114 115.697 115.700 -0.194 0.000 2.599 269 S HA 0.916 5.386 4.470 -0.000 0.000 0.294 269 S C -0.214 174.317 174.600 -0.116 0.000 1.094 269 S CA 0.131 58.225 58.200 -0.176 0.000 0.931 269 S CB 1.860 64.947 63.200 -0.188 0.000 1.093 269 S HN 2.156 nan 8.310 nan 0.000 0.488 270 G N 1.584 110.327 108.800 -0.096 0.000 2.753 270 G HA2 0.593 4.553 3.960 -0.000 0.000 0.297 270 G HA3 0.593 4.553 3.960 -0.000 0.000 0.297 270 G C -1.351 173.516 174.900 -0.054 0.000 1.430 270 G CA -0.466 44.591 45.100 -0.072 0.000 1.040 270 G HN 0.714 nan 8.290 nan 0.000 0.530 271 T N -0.349 114.183 114.554 -0.037 0.000 2.906 271 T HA 0.944 5.294 4.350 -0.000 0.000 0.295 271 T C -0.161 174.523 174.700 -0.025 0.000 1.061 271 T CA -0.092 62.002 62.100 -0.011 0.000 1.000 271 T CB 2.010 70.897 68.868 0.032 0.000 1.103 271 T HN 1.958 nan 8.240 nan 0.000 0.486 272 A N 2.186 124.990 122.820 -0.028 0.000 2.489 272 A HA 0.795 5.115 4.320 -0.000 0.000 0.293 272 A C -3.283 174.260 177.584 -0.068 0.000 1.004 272 A CA -1.263 50.743 52.037 -0.052 0.000 0.626 272 A CB 0.482 19.435 19.000 -0.079 0.000 1.345 272 A HN 0.558 nan 8.150 nan 0.000 0.447 273 P HA 0.643 nan 4.420 nan 0.000 0.283 273 P C -0.194 177.088 177.300 -0.031 0.000 1.271 273 P CA -0.368 62.735 63.100 0.004 0.000 0.841 273 P CB 0.436 32.157 31.700 0.034 0.000 1.122 274 F N 0.593 120.523 119.950 -0.033 0.000 2.373 274 F HA 0.316 4.843 4.527 -0.000 0.000 0.285 274 F C 1.724 177.521 175.800 -0.004 0.000 1.256 274 F CA 2.151 60.139 58.000 -0.020 0.000 1.297 274 F CB -0.722 38.264 39.000 -0.024 0.000 1.400 274 F HN 0.652 nan 8.300 nan 0.000 0.505 275 G N 0.115 109.076 108.800 0.268 0.000 3.137 275 G HA2 0.253 4.213 3.960 -0.000 0.000 0.686 275 G HA3 0.253 4.213 3.960 -0.000 0.000 0.686 275 G C -0.205 174.741 174.900 0.076 0.000 0.988 275 G CA -0.591 44.598 45.100 0.149 0.000 0.789 275 G HN 1.094 nan 8.290 nan 0.000 0.544 276 G N 0.639 109.498 108.800 0.100 0.000 2.606 276 G HA2 0.715 4.675 3.960 -0.000 0.000 0.262 276 G HA3 0.715 4.675 3.960 -0.000 0.000 0.262 276 G C 0.101 175.029 174.900 0.047 0.000 1.394 276 G CA -0.299 44.844 45.100 0.073 0.000 1.044 276 G HN 0.848 nan 8.290 nan 0.000 0.553 277 E N -0.790 119.437 120.200 0.045 0.000 2.345 277 E HA 0.219 4.569 4.350 -0.000 0.000 0.259 277 E C -0.286 176.333 176.600 0.031 0.000 1.117 277 E CA -0.321 56.095 56.400 0.027 0.000 0.913 277 E CB 1.784 31.495 29.700 0.019 0.000 1.057 277 E HN 0.202 nan 8.360 nan 0.000 0.432 278 I N 3.368 123.945 120.570 0.012 0.000 2.494 278 I HA -0.063 4.107 4.170 -0.000 0.000 0.289 278 I C 1.653 177.775 176.117 0.009 0.000 1.106 278 I CA 0.232 61.533 61.300 0.002 0.000 1.369 278 I CB 0.125 38.121 38.000 -0.006 0.000 1.410 278 I HN 0.551 nan 8.210 nan 0.000 0.523 279 I N 3.099 123.674 120.570 0.009 0.000 3.035 279 I HA 0.106 4.276 4.170 -0.000 0.000 0.271 279 I C 0.141 176.259 176.117 0.002 0.000 1.190 279 I CA 0.747 62.061 61.300 0.024 0.000 1.472 279 I CB 0.021 38.069 38.000 0.080 0.000 1.116 279 I HN 0.598 nan 8.210 nan 0.000 0.443 280 D N -0.332 120.056 120.400 -0.020 0.000 2.921 280 D HA 0.158 4.798 4.640 -0.000 0.000 0.329 280 D C 0.491 176.775 176.300 -0.026 0.000 1.293 280 D CA -0.482 53.506 54.000 -0.020 0.000 0.964 280 D CB 0.759 41.548 40.800 -0.018 0.000 1.435 280 D HN -0.158 nan 8.370 nan 0.000 0.548 281 E N -0.773 119.414 120.200 -0.023 0.000 2.147 281 E HA -0.152 4.198 4.350 -0.000 0.000 0.199 281 E C 1.338 177.921 176.600 -0.030 0.000 1.005 281 E CA 1.525 57.912 56.400 -0.022 0.000 0.810 281 E CB -0.031 29.658 29.700 -0.018 0.000 0.736 281 E HN 0.271 nan 8.360 nan 0.000 0.460 282 R N -0.460 120.015 120.500 -0.041 0.000 2.388 282 R HA 0.286 4.626 4.340 -0.000 0.000 0.247 282 R C 0.558 176.820 176.300 -0.064 0.000 0.931 282 R CA 0.459 56.529 56.100 -0.050 0.000 1.082 282 R CB 0.902 31.168 30.300 -0.056 0.000 1.135 282 R HN 0.194 nan 8.270 nan 0.000 0.525 283 G N -0.293 108.469 108.800 -0.062 0.000 2.384 283 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.204 283 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.204 283 G C -0.387 174.454 174.900 -0.098 0.000 1.237 283 G CA -0.712 44.347 45.100 -0.068 0.000 1.060 283 G HN 0.366 nan 8.290 nan 0.000 0.514 284 G N -2.103 106.635 108.800 -0.102 0.000 3.251 284 G HA2 0.644 4.604 3.960 -0.000 0.000 0.248 284 G HA3 0.644 4.604 3.960 -0.000 0.000 0.248 284 G C -1.431 173.354 174.900 -0.193 0.000 1.320 284 G CA -0.752 44.281 45.100 -0.111 0.000 0.982 284 G HN 0.780 nan 8.290 nan 0.000 0.575 285 Y N 1.140 121.450 120.300 0.018 0.000 2.504 285 Y HA 0.423 4.973 4.550 -0.000 0.000 0.351 285 Y C 1.448 177.386 175.900 0.064 0.000 0.988 285 Y CA 0.205 58.327 58.100 0.036 0.000 1.239 285 Y CB 1.548 40.028 38.460 0.033 0.000 1.128 285 Y HN 0.527 nan 8.280 nan 0.000 0.525 286 A N 2.011 124.924 122.820 0.155 0.000 1.929 286 A HA -0.142 4.178 4.320 -0.000 0.000 0.216 286 A C 1.334 179.077 177.584 0.265 0.000 1.176 286 A CA 1.349 53.477 52.037 0.152 0.000 0.628 286 A CB -0.300 18.742 19.000 0.070 0.000 0.816 286 A HN 0.779 nan 8.150 nan 0.000 0.444 287 D N -0.719 119.833 120.400 0.253 0.000 2.676 287 D HA 0.271 4.910 4.640 -0.000 0.000 0.239 287 D C 0.363 176.951 176.300 0.481 0.000 1.213 287 D CA 0.006 54.154 54.000 0.245 0.000 0.835 287 D CB -0.221 40.622 40.800 0.071 0.000 1.009 287 D HN 0.339 nan 8.370 nan 0.000 0.479 288 R N -0.995 119.826 120.500 0.535 0.000 2.734 288 R HA 0.699 5.039 4.340 -0.000 0.000 0.271 288 R C -1.760 174.486 176.300 -0.090 0.000 1.021 288 R CA -1.145 55.073 56.100 0.198 0.000 0.893 288 R CB 2.713 33.047 30.300 0.057 0.000 1.244 288 R HN 0.022 nan 8.270 nan 0.000 0.464 289 V N -1.091 118.656 119.914 -0.279 0.000 3.177 289 V HA 0.671 4.791 4.120 -0.000 0.000 0.287 289 V C -1.936 174.016 176.094 -0.236 0.000 1.465 289 V CA -0.208 61.890 62.300 -0.336 0.000 1.020 289 V CB 2.549 34.012 31.823 -0.601 0.000 1.152 289 V HN 0.748 nan 8.190 nan 0.000 0.448 290 T N 6.238 120.690 114.554 -0.170 0.000 3.050 290 T HA 0.677 5.027 4.350 -0.000 0.000 0.310 290 T C -0.780 173.856 174.700 -0.106 0.000 0.978 290 T CA -0.252 61.774 62.100 -0.124 0.000 1.013 290 T CB 1.035 69.846 68.868 -0.095 0.000 1.000 290 T HN 0.721 nan 8.240 nan 0.000 0.447 291 L N 2.642 123.806 121.223 -0.098 0.000 2.387 291 L HA 0.667 5.007 4.340 -0.000 0.000 0.266 291 L C 0.650 177.477 176.870 -0.072 0.000 1.059 291 L CA -0.616 54.174 54.840 -0.084 0.000 0.801 291 L CB 0.778 42.787 42.059 -0.083 0.000 1.223 291 L HN 0.422 nan 8.230 nan 0.000 0.456 292 R N 2.249 122.709 120.500 -0.068 0.000 2.545 292 R HA 0.487 4.827 4.340 -0.000 0.000 0.289 292 R C -1.636 174.625 176.300 -0.064 0.000 1.327 292 R CA -0.466 55.595 56.100 -0.066 0.000 1.040 292 R CB 0.830 31.093 30.300 -0.062 0.000 1.176 292 R HN 0.447 nan 8.270 nan 0.000 0.518 293 L N 1.833 123.018 121.223 -0.064 0.000 2.307 293 L HA 0.482 4.822 4.340 -0.000 0.000 0.282 293 L C 0.081 176.918 176.870 -0.055 0.000 1.051 293 L CA -1.058 53.745 54.840 -0.062 0.000 0.804 293 L CB 0.917 42.935 42.059 -0.067 0.000 1.197 293 L HN 0.339 nan 8.230 nan 0.000 0.431 294 N N 2.048 120.712 118.700 -0.060 0.000 2.456 294 N HA 0.470 5.210 4.740 -0.000 0.000 0.288 294 N C -0.916 174.549 175.510 -0.074 0.000 1.059 294 N CA -0.303 52.711 53.050 -0.061 0.000 0.946 294 N CB 2.786 41.239 38.487 -0.056 0.000 1.150 294 N HN 0.269 nan 8.380 nan 0.000 0.479 295 V N 1.555 121.414 119.914 -0.091 0.000 2.443 295 V HA 0.258 4.378 4.120 -0.000 0.000 0.293 295 V C 0.060 176.081 176.094 -0.122 0.000 1.021 295 V CA -0.796 61.413 62.300 -0.152 0.000 0.848 295 V CB 1.858 33.487 31.823 -0.323 0.000 0.998 295 V HN 0.560 nan 8.190 nan 0.000 0.424 296 E N 3.651 123.801 120.200 -0.084 0.000 2.283 296 E HA 0.346 4.696 4.350 -0.000 0.000 0.278 296 E C 0.090 176.670 176.600 -0.032 0.000 1.027 296 E CA -0.290 56.085 56.400 -0.042 0.000 0.843 296 E CB 0.474 30.160 29.700 -0.025 0.000 1.062 296 E HN 0.730 nan 8.360 nan 0.000 0.401 297 N N 3.026 121.728 118.700 0.005 0.000 2.686 297 N HA -0.134 4.606 4.740 -0.000 0.000 0.261 297 N C -2.404 173.106 175.510 -0.000 0.000 1.001 297 N CA -0.103 52.962 53.050 0.024 0.000 0.764 297 N CB -0.973 37.528 38.487 0.023 0.000 0.898 297 N HN 0.365 nan 8.380 nan 0.000 0.544 298 P HA 0.090 nan 4.420 nan 0.000 0.271 298 P C -0.135 177.180 177.300 0.025 0.000 1.233 298 P CA 0.314 63.318 63.100 -0.160 0.000 0.789 298 P CB 0.777 32.233 31.700 -0.407 0.000 0.951 299 K N 1.277 121.761 120.400 0.140 0.000 2.334 299 K HA 0.348 4.668 4.320 -0.000 0.000 0.265 299 K C -0.118 176.630 176.600 0.246 0.000 1.039 299 K CA -0.492 55.882 56.287 0.145 0.000 0.920 299 K CB 0.127 32.667 32.500 0.067 0.000 1.160 299 K HN 0.361 nan 8.250 nan 0.000 0.451 300 L N 1.751 123.057 121.223 0.139 0.000 2.464 300 L HA 0.280 4.620 4.340 -0.000 0.000 0.264 300 L C -0.061 176.903 176.870 0.157 0.000 1.199 300 L CA -0.500 54.430 54.840 0.151 0.000 0.818 300 L CB 0.268 42.261 42.059 -0.111 0.000 1.102 300 L HN 0.573 nan 8.230 nan 0.000 0.473 301 W N 2.165 123.477 121.300 0.020 0.000 2.429 301 W HA 0.560 5.220 4.660 -0.000 0.000 0.314 301 W C -0.349 176.133 176.519 -0.062 0.000 1.062 301 W CA -0.191 57.161 57.345 0.011 0.000 1.211 301 W CB 1.485 30.999 29.460 0.090 0.000 1.305 301 W HN 0.621 nan 8.180 nan 0.000 0.476 302 S N 3.341 118.658 115.700 -0.639 0.000 2.588 302 S HA 0.681 5.151 4.470 -0.000 0.000 0.275 302 S C 0.309 174.291 174.600 -1.031 0.000 1.130 302 S CA -0.379 57.477 58.200 -0.573 0.000 0.855 302 S CB 1.504 64.566 63.200 -0.229 0.000 1.116 302 S HN 0.878 nan 8.310 nan 0.000 0.472 303 A N 0.713 123.035 122.820 -0.831 0.000 2.019 303 A HA -0.030 4.290 4.320 -0.000 0.000 0.219 303 A C 1.775 179.073 177.584 -0.477 0.000 1.164 303 A CA 1.528 53.044 52.037 -0.869 0.000 0.644 303 A CB -0.933 17.415 19.000 -1.086 0.000 0.805 303 A HN 0.915 nan 8.150 nan 0.000 0.449 304 E N -0.860 119.190 120.200 -0.250 0.000 2.072 304 E HA 0.012 4.362 4.350 -0.000 0.000 0.191 304 E C -0.286 176.213 176.600 -0.168 0.000 0.985 304 E CA 0.761 57.077 56.400 -0.141 0.000 0.801 304 E CB -0.037 29.679 29.700 0.028 0.000 0.750 304 E HN 0.647 nan 8.360 nan 0.000 0.452 305 I N 1.420 121.849 120.570 -0.235 0.000 2.560 305 I HA 0.157 4.327 4.170 -0.000 0.000 0.278 305 I C -2.576 173.296 176.117 -0.408 0.000 1.089 305 I CA -1.993 59.172 61.300 -0.225 0.000 1.086 305 I CB 2.317 40.240 38.000 -0.128 0.000 1.202 305 I HN -0.222 nan 8.210 nan 0.000 0.471 306 P HA 0.127 nan 4.420 nan 0.000 0.225 306 P C -0.588 176.655 177.300 -0.094 0.000 1.813 306 P CA -0.229 62.448 63.100 -0.704 0.000 1.013 306 P CB -0.092 31.377 31.700 -0.385 0.000 1.961 307 N N 1.925 120.625 118.700 0.001 0.000 2.492 307 N HA 0.218 4.958 4.740 -0.000 0.000 0.260 307 N C 0.056 175.759 175.510 0.322 0.000 1.215 307 N CA 0.324 53.440 53.050 0.111 0.000 0.923 307 N CB 0.741 39.269 38.487 0.067 0.000 1.092 307 N HN 0.298 nan 8.380 nan 0.000 0.448 308 L N 1.670 122.986 121.223 0.154 0.000 2.359 308 L HA 0.502 4.842 4.340 -0.000 0.000 0.256 308 L C -1.263 175.653 176.870 0.077 0.000 1.026 308 L CA -0.801 54.173 54.840 0.224 0.000 0.828 308 L CB 1.655 43.831 42.059 0.193 0.000 1.406 308 L HN 0.460 nan 8.230 nan 0.000 0.413 309 Y N -0.186 120.240 120.300 0.210 0.000 2.534 309 Y HA 0.471 5.021 4.550 -0.000 0.000 0.345 309 Y C -0.392 175.612 175.900 0.174 0.000 1.031 309 Y CA -0.717 57.514 58.100 0.217 0.000 1.022 309 Y CB 2.334 40.980 38.460 0.310 0.000 1.292 309 Y HN 0.379 nan 8.280 nan 0.000 0.459 310 R N 1.682 122.402 120.500 0.365 0.000 2.255 310 R HA 0.815 5.155 4.340 -0.000 0.000 0.326 310 R C -1.164 175.329 176.300 0.322 0.000 0.986 310 R CA -0.415 55.844 56.100 0.265 0.000 0.847 310 R CB 0.745 31.127 30.300 0.136 0.000 1.111 310 R HN 0.761 nan 8.270 nan 0.000 0.452 311 A N 3.942 126.893 122.820 0.218 0.000 2.304 311 A HA 0.562 4.882 4.320 -0.000 0.000 0.323 311 A C -0.997 176.666 177.584 0.132 0.000 1.195 311 A CA -0.669 51.476 52.037 0.180 0.000 0.826 311 A CB 1.289 20.372 19.000 0.139 0.000 1.184 311 A HN 0.495 nan 8.150 nan 0.000 0.496 312 V N 2.345 122.329 119.914 0.117 0.000 2.407 312 V HA 0.388 4.508 4.120 -0.000 0.000 0.291 312 V C -0.279 175.786 176.094 -0.047 0.000 1.018 312 V CA -0.712 61.600 62.300 0.019 0.000 0.842 312 V CB 1.250 33.107 31.823 0.055 0.000 0.996 312 V HN 0.540 nan 8.190 nan 0.000 0.426 313 V N 5.547 125.379 119.914 -0.137 0.000 2.320 313 V HA 0.281 4.401 4.120 -0.000 0.000 0.265 313 V C 0.384 176.384 176.094 -0.157 0.000 1.048 313 V CA -0.294 61.894 62.300 -0.186 0.000 0.865 313 V CB 0.656 32.239 31.823 -0.400 0.000 1.043 313 V HN 1.000 nan 8.190 nan 0.000 0.474 314 E N 5.252 125.383 120.200 -0.114 0.000 2.174 314 E HA 0.485 4.835 4.350 -0.000 0.000 0.282 314 E C -0.722 175.882 176.600 0.006 0.000 0.992 314 E CA -0.948 55.391 56.400 -0.102 0.000 0.803 314 E CB 2.349 31.927 29.700 -0.203 0.000 1.090 314 E HN 0.405 nan 8.360 nan 0.000 0.396 315 L N 4.779 126.034 121.223 0.053 0.000 2.313 315 L HA 0.272 4.612 4.340 -0.000 0.000 0.273 315 L C -0.738 176.253 176.870 0.203 0.000 1.028 315 L CA -0.153 54.775 54.840 0.146 0.000 0.871 315 L CB -0.090 41.998 42.059 0.047 0.000 1.242 315 L HN 0.651 nan 8.230 nan 0.000 0.434 316 H N 1.331 120.378 119.070 -0.039 0.000 3.690 316 H HA 0.771 5.327 4.556 -0.000 0.000 0.330 316 H C -0.610 174.660 175.328 -0.096 0.000 1.693 316 H CA -0.200 55.814 56.048 -0.056 0.000 1.349 316 H CB 0.308 30.053 29.762 -0.028 0.000 1.539 316 H HN 0.433 nan 8.280 nan 0.000 0.757 317 T N -3.740 110.635 114.554 -0.298 0.000 2.948 317 T HA 0.620 4.970 4.350 -0.000 0.000 0.285 317 T C 1.286 175.796 174.700 -0.317 0.000 1.019 317 T CA -0.288 61.614 62.100 -0.331 0.000 1.013 317 T CB 1.591 70.377 68.868 -0.136 0.000 1.117 317 T HN 0.780 nan 8.240 nan 0.000 0.533 318 A N 0.849 123.579 122.820 -0.150 0.000 1.933 318 A HA -0.048 4.272 4.320 -0.000 0.000 0.218 318 A C 1.814 179.402 177.584 0.008 0.000 1.175 318 A CA 1.978 53.974 52.037 -0.067 0.000 0.628 318 A CB -1.351 17.660 19.000 0.018 0.000 0.814 318 A HN 1.019 nan 8.150 nan 0.000 0.444 319 D N -2.587 117.841 120.400 0.048 0.000 2.264 319 D HA 0.238 4.878 4.640 -0.000 0.000 0.208 319 D C 1.256 177.602 176.300 0.077 0.000 0.966 319 D CA 1.488 55.526 54.000 0.063 0.000 0.864 319 D CB -0.205 40.638 40.800 0.072 0.000 0.933 319 D HN 0.723 nan 8.370 nan 0.000 0.499 320 G N -1.345 107.516 108.800 0.103 0.000 2.421 320 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.188 320 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.188 320 G C 0.399 175.413 174.900 0.190 0.000 1.001 320 G CA -0.050 45.161 45.100 0.185 0.000 0.693 320 G HN 0.327 nan 8.290 nan 0.000 0.479 321 T N 2.401 117.030 114.554 0.124 0.000 2.758 321 T HA 0.298 4.648 4.350 -0.000 0.000 0.281 321 T C 0.682 175.457 174.700 0.125 0.000 0.963 321 T CA 0.226 62.387 62.100 0.101 0.000 1.201 321 T CB 0.488 69.400 68.868 0.074 0.000 0.906 321 T HN 0.502 nan 8.240 nan 0.000 0.528 322 L N 5.251 126.538 121.223 0.107 0.000 2.462 322 L HA 0.103 4.443 4.340 -0.000 0.000 0.272 322 L C 0.770 177.676 176.870 0.060 0.000 1.166 322 L CA -0.311 54.584 54.840 0.092 0.000 0.880 322 L CB 0.314 42.397 42.059 0.039 0.000 1.142 322 L HN 0.552 nan 8.230 nan 0.000 0.473 323 I N 3.491 124.090 120.570 0.049 0.000 2.385 323 I HA 0.183 4.353 4.170 -0.000 0.000 0.244 323 I C 0.754 176.866 176.117 -0.010 0.000 1.089 323 I CA 0.836 62.136 61.300 0.001 0.000 1.410 323 I CB -0.289 37.687 38.000 -0.039 0.000 1.117 323 I HN 0.727 nan 8.210 nan 0.000 0.429 324 E N -0.945 119.251 120.200 -0.006 0.000 2.422 324 E HA 0.645 4.995 4.350 -0.000 0.000 0.280 324 E C -1.901 174.700 176.600 0.001 0.000 1.091 324 E CA -0.654 55.742 56.400 -0.008 0.000 0.849 324 E CB 1.685 31.341 29.700 -0.073 0.000 1.353 324 E HN 0.026 nan 8.360 nan 0.000 0.449 325 A N 1.719 124.571 122.820 0.054 0.000 2.566 325 A HA 0.820 5.140 4.320 -0.000 0.000 0.292 325 A C -1.476 176.181 177.584 0.123 0.000 1.112 325 A CA -0.618 51.440 52.037 0.035 0.000 0.707 325 A CB 1.980 20.980 19.000 0.000 0.000 1.302 325 A HN 0.472 nan 8.150 nan 0.000 0.409 326 E N -0.955 119.241 120.200 -0.008 0.000 2.392 326 E HA 0.698 5.048 4.350 -0.000 0.000 0.279 326 E C -0.716 175.817 176.600 -0.113 0.000 0.964 326 E CA -0.372 56.053 56.400 0.041 0.000 0.777 326 E CB 2.248 31.890 29.700 -0.098 0.000 1.249 326 E HN 1.235 nan 8.360 nan 0.000 0.449 327 A N 0.226 123.050 122.820 0.006 0.000 2.567 327 A HA 0.930 5.250 4.320 -0.000 0.000 0.289 327 A C -1.000 176.707 177.584 0.205 0.000 1.177 327 A CA -0.191 51.844 52.037 -0.004 0.000 0.694 327 A CB 1.393 20.269 19.000 -0.206 0.000 1.292 327 A HN 1.122 nan 8.150 nan 0.000 0.425 328 C N -0.779 118.620 119.300 0.166 0.000 3.197 328 C HA 0.611 5.071 4.460 -0.000 0.000 0.343 328 C C -2.087 172.979 174.990 0.125 0.000 1.291 328 C CA -0.923 58.200 59.018 0.174 0.000 1.191 328 C CB 0.571 28.446 27.740 0.226 0.000 1.444 328 C HN 0.846 nan 8.230 nan 0.000 0.468 329 D N 1.354 121.813 120.400 0.097 0.000 2.225 329 D HA 0.561 5.201 4.640 -0.000 0.000 0.248 329 D C -0.475 175.863 176.300 0.063 0.000 1.096 329 D CA 0.125 54.186 54.000 0.102 0.000 0.863 329 D CB 2.188 43.049 40.800 0.101 0.000 1.156 329 D HN 0.552 nan 8.370 nan 0.000 0.450 330 V N 1.268 121.251 119.914 0.116 0.000 2.513 330 V HA 0.607 4.727 4.120 -0.000 0.000 0.299 330 V C 0.522 176.682 176.094 0.111 0.000 1.035 330 V CA -0.668 61.653 62.300 0.036 0.000 0.889 330 V CB 2.040 33.868 31.823 0.007 0.000 0.988 330 V HN 0.634 nan 8.190 nan 0.000 0.440 331 G N 3.393 112.146 108.800 -0.078 0.000 2.533 331 G HA2 0.559 4.519 3.960 -0.000 0.000 0.310 331 G HA3 0.559 4.519 3.960 -0.000 0.000 0.310 331 G C -0.864 174.061 174.900 0.040 0.000 1.266 331 G CA -0.387 44.715 45.100 0.004 0.000 0.967 331 G HN 0.468 nan 8.290 nan 0.000 0.493 332 F N 2.826 122.957 119.950 0.301 0.000 2.512 332 F HA 0.400 4.927 4.527 -0.000 0.000 0.350 332 F C 1.117 177.140 175.800 0.372 0.000 1.212 332 F CA 0.024 58.247 58.000 0.371 0.000 1.099 332 F CB 0.442 39.690 39.000 0.413 0.000 1.238 332 F HN 0.537 nan 8.300 nan 0.000 0.600 333 R N 1.202 121.975 120.500 0.456 0.000 2.634 333 R HA 0.464 4.804 4.340 -0.000 0.000 0.263 333 R C -1.649 174.807 176.300 0.261 0.000 1.060 333 R CA -1.092 55.157 56.100 0.249 0.000 0.898 333 R CB 1.409 31.853 30.300 0.239 0.000 1.253 333 R HN 0.403 nan 8.270 nan 0.000 0.461 334 E N 1.985 122.262 120.200 0.128 0.000 2.187 334 E HA 0.495 4.845 4.350 -0.000 0.000 0.268 334 E C -1.244 175.428 176.600 0.119 0.000 0.896 334 E CA -1.055 55.467 56.400 0.204 0.000 0.766 334 E CB 2.004 31.881 29.700 0.295 0.000 1.142 334 E HN 0.428 nan 8.360 nan 0.000 0.408 335 V N 5.187 125.162 119.914 0.101 0.000 2.409 335 V HA 0.565 4.685 4.120 -0.000 0.000 0.291 335 V C -0.142 175.987 176.094 0.058 0.000 1.020 335 V CA -0.650 61.684 62.300 0.056 0.000 0.848 335 V CB 1.376 33.212 31.823 0.021 0.000 0.990 335 V HN 0.669 nan 8.190 nan 0.000 0.430 336 R N 3.730 124.261 120.500 0.051 0.000 2.584 336 R HA 0.616 4.956 4.340 -0.000 0.000 0.276 336 R C -1.577 174.743 176.300 0.033 0.000 1.046 336 R CA -0.699 55.431 56.100 0.051 0.000 0.906 336 R CB 2.167 32.509 30.300 0.070 0.000 1.215 336 R HN 0.692 nan 8.270 nan 0.000 0.449 337 I N 3.227 123.815 120.570 0.030 0.000 2.307 337 I HA 0.189 4.359 4.170 -0.000 0.000 0.287 337 I C -0.318 175.813 176.117 0.024 0.000 1.054 337 I CA -0.015 61.297 61.300 0.019 0.000 1.218 337 I CB 1.303 39.315 38.000 0.020 0.000 1.398 337 I HN 0.522 nan 8.210 nan 0.000 0.475 338 E N 7.382 127.595 120.200 0.021 0.000 2.186 338 E HA 0.238 4.588 4.350 -0.000 0.000 0.255 338 E C -0.262 176.346 176.600 0.014 0.000 0.881 338 E CA -0.459 55.955 56.400 0.022 0.000 0.752 338 E CB 0.662 30.380 29.700 0.031 0.000 1.176 338 E HN 0.531 nan 8.360 nan 0.000 0.421 339 N N 3.550 122.257 118.700 0.012 0.000 2.861 339 N HA -0.157 4.583 4.740 -0.000 0.000 0.247 339 N C 0.446 175.957 175.510 0.002 0.000 1.117 339 N CA 1.598 54.652 53.050 0.008 0.000 0.703 339 N CB -1.310 37.182 38.487 0.008 0.000 1.052 339 N HN 1.022 nan 8.380 nan 0.000 0.555 340 G N -1.592 107.208 108.800 0.000 0.000 2.205 340 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.261 340 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.261 340 G C -0.060 174.828 174.900 -0.020 0.000 0.980 340 G CA 0.554 45.649 45.100 -0.008 0.000 0.632 340 G HN 0.420 nan 8.290 nan 0.000 0.533 341 L N 0.694 121.908 121.223 -0.016 0.000 2.313 341 L HA 0.628 4.968 4.340 -0.000 0.000 0.283 341 L C 0.347 177.202 176.870 -0.025 0.000 1.013 341 L CA -1.181 53.643 54.840 -0.027 0.000 0.816 341 L CB 1.727 43.772 42.059 -0.022 0.000 1.236 341 L HN 0.165 nan 8.230 nan 0.000 0.419 342 L N 5.396 126.592 121.223 -0.044 0.000 2.369 342 L HA 0.341 4.681 4.340 -0.000 0.000 0.279 342 L C -0.767 176.078 176.870 -0.042 0.000 1.108 342 L CA 0.546 55.361 54.840 -0.042 0.000 0.852 342 L CB 0.145 42.167 42.059 -0.062 0.000 1.169 342 L HN 0.414 nan 8.230 nan 0.000 0.452 343 L N 6.226 127.441 121.223 -0.012 0.000 2.325 343 L HA 0.548 4.888 4.340 -0.000 0.000 0.278 343 L C -0.665 176.220 176.870 0.024 0.000 1.023 343 L CA -0.775 54.072 54.840 0.012 0.000 0.811 343 L CB 1.876 43.961 42.059 0.044 0.000 1.249 343 L HN 0.623 nan 8.230 nan 0.000 0.431 344 L N 3.745 125.000 121.223 0.052 0.000 2.404 344 L HA 0.454 4.794 4.340 -0.000 0.000 0.272 344 L C -0.325 176.582 176.870 0.062 0.000 0.980 344 L CA -0.136 54.743 54.840 0.064 0.000 0.836 344 L CB 0.930 43.019 42.059 0.049 0.000 1.238 344 L HN 0.646 nan 8.230 nan 0.000 0.408 345 N N 3.819 122.462 118.700 -0.095 0.000 2.714 345 N HA -0.216 4.524 4.740 -0.000 0.000 0.250 345 N C 0.788 176.130 175.510 -0.279 0.000 1.117 345 N CA 1.553 54.310 53.050 -0.487 0.000 0.719 345 N CB -1.247 36.767 38.487 -0.789 0.000 1.081 345 N HN 1.172 nan 8.380 nan 0.000 0.557 346 G N -2.376 106.463 108.800 0.065 0.000 2.279 346 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.223 346 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.223 346 G C -0.137 174.824 174.900 0.102 0.000 1.015 346 G CA 0.440 45.629 45.100 0.147 0.000 0.621 346 G HN 0.343 nan 8.290 nan 0.000 0.506 347 K N 1.639 122.103 120.400 0.107 0.000 2.138 347 K HA 0.560 4.880 4.320 -0.000 0.000 0.263 347 K C -2.797 173.809 176.600 0.009 0.000 0.965 347 K CA -2.034 54.271 56.287 0.030 0.000 0.868 347 K CB 2.300 34.764 32.500 -0.061 0.000 1.083 347 K HN 0.156 nan 8.250 nan 0.000 0.443 348 P HA 0.265 nan 4.420 nan 0.000 0.280 348 P C -0.227 177.021 177.300 -0.086 0.000 1.244 348 P CA -0.360 62.709 63.100 -0.051 0.000 0.784 348 P CB 0.657 32.325 31.700 -0.052 0.000 0.913 349 L N 2.671 123.832 121.223 -0.103 0.000 2.439 349 L HA 0.394 4.734 4.340 -0.000 0.000 0.261 349 L C 0.401 177.192 176.870 -0.132 0.000 1.153 349 L CA -0.823 53.939 54.840 -0.129 0.000 0.808 349 L CB 0.405 42.346 42.059 -0.196 0.000 1.126 349 L HN 0.230 nan 8.230 nan 0.000 0.460 350 L N 3.258 124.424 121.223 -0.095 0.000 2.377 350 L HA 0.436 4.776 4.340 -0.000 0.000 0.270 350 L C -0.543 176.301 176.870 -0.044 0.000 0.991 350 L CA -0.226 54.560 54.840 -0.090 0.000 0.851 350 L CB 0.981 43.047 42.059 0.010 0.000 1.218 350 L HN 0.266 nan 8.230 nan 0.000 0.420 351 I N 5.172 125.636 120.570 -0.178 0.000 2.337 351 I HA 0.254 4.424 4.170 -0.000 0.000 0.291 351 I C 0.343 176.439 176.117 -0.034 0.000 1.046 351 I CA -0.141 61.071 61.300 -0.146 0.000 1.324 351 I CB 0.680 38.472 38.000 -0.348 0.000 1.409 351 I HN 0.540 nan 8.210 nan 0.000 0.494 352 R N 4.868 125.459 120.500 0.152 0.000 2.471 352 R HA 0.570 4.909 4.340 -0.000 0.000 0.292 352 R C 0.277 176.749 176.300 0.286 0.000 1.192 352 R CA -0.289 55.972 56.100 0.267 0.000 1.257 352 R CB 1.206 31.546 30.300 0.066 0.000 1.130 352 R HN 0.804 nan 8.270 nan 0.000 0.558 353 G N 0.048 108.997 108.800 0.248 0.000 2.725 353 G HA2 0.592 4.552 3.960 -0.000 0.000 0.288 353 G HA3 0.592 4.552 3.960 -0.000 0.000 0.288 353 G C -1.695 173.536 174.900 0.553 0.000 1.399 353 G CA -0.487 44.840 45.100 0.379 0.000 0.859 353 G HN 0.230 nan 8.290 nan 0.000 0.479 354 V N 0.180 120.397 119.914 0.505 0.000 2.789 354 V HA 0.463 4.583 4.120 -0.000 0.000 0.311 354 V C -0.678 175.608 176.094 0.319 0.000 1.073 354 V CA -1.181 61.345 62.300 0.377 0.000 0.921 354 V CB 2.062 33.882 31.823 -0.005 0.000 1.009 354 V HN 0.762 nan 8.190 nan 0.000 0.426 355 N N 4.432 123.300 118.700 0.280 0.000 2.513 355 N HA 0.307 5.047 4.740 -0.000 0.000 0.268 355 N C -0.497 174.944 175.510 -0.115 0.000 1.180 355 N CA -0.072 53.039 53.050 0.100 0.000 0.948 355 N CB 0.911 39.569 38.487 0.284 0.000 1.083 355 N HN 0.524 nan 8.380 nan 0.000 0.455 356 R N 2.215 122.595 120.500 -0.200 0.000 2.625 356 R HA 0.164 4.504 4.340 -0.000 0.000 0.286 356 R C -0.919 175.229 176.300 -0.253 0.000 1.406 356 R CA -0.519 55.455 56.100 -0.211 0.000 1.052 356 R CB 0.316 30.476 30.300 -0.234 0.000 1.203 356 R HN 0.640 nan 8.270 nan 0.000 0.502 357 H N 1.134 120.048 119.070 -0.260 0.000 2.730 357 H HA 0.060 4.616 4.556 -0.000 0.000 0.376 357 H C -0.224 175.075 175.328 -0.048 0.000 1.299 357 H CA 0.735 56.709 56.048 -0.124 0.000 1.447 357 H CB 0.867 30.613 29.762 -0.027 0.000 1.493 357 H HN 0.421 nan 8.280 nan 0.000 0.619 358 E N 1.167 121.526 120.200 0.264 0.000 2.035 358 E HA 0.166 4.516 4.350 -0.000 0.000 0.271 358 E C -1.058 175.621 176.600 0.131 0.000 0.953 358 E CA -0.190 56.269 56.400 0.098 0.000 0.777 358 E CB 0.665 30.394 29.700 0.048 0.000 1.104 358 E HN 0.457 nan 8.360 nan 0.000 0.408 359 H N 1.453 120.532 119.070 0.014 0.000 2.894 359 H HA 0.313 4.869 4.556 -0.000 0.000 0.367 359 H C -1.630 173.733 175.328 0.059 0.000 1.144 359 H CA -0.670 55.389 56.048 0.018 0.000 1.180 359 H CB 1.370 31.134 29.762 0.003 0.000 1.758 359 H HN 0.411 nan 8.280 nan 0.000 0.541 360 H N 5.893 124.566 119.070 -0.661 0.000 3.149 360 H HA 0.155 4.711 4.556 -0.000 0.000 0.334 360 H C -2.511 172.467 175.328 -0.583 0.000 1.000 360 H CA -1.993 53.826 56.048 -0.382 0.000 1.415 360 H CB 2.530 32.154 29.762 -0.230 0.000 1.819 360 H HN 0.531 nan 8.280 nan 0.000 0.486 361 P HA -0.112 nan 4.420 nan 0.000 0.218 361 P C 1.337 178.512 177.300 -0.207 0.000 1.148 361 P CA 0.827 63.794 63.100 -0.222 0.000 0.822 361 P CB 0.860 32.448 31.700 -0.186 0.000 0.784 362 L N -1.780 119.368 121.223 -0.125 0.000 2.269 362 L HA 0.052 4.392 4.340 -0.000 0.000 0.200 362 L C 2.645 179.594 176.870 0.131 0.000 1.069 362 L CA 0.847 55.703 54.840 0.027 0.000 0.804 362 L CB -0.846 41.192 42.059 -0.035 0.000 0.987 362 L HN 0.011 nan 8.230 nan 0.000 0.468 363 H N -0.528 118.695 119.070 0.256 0.000 2.547 363 H HA 0.098 4.654 4.556 -0.000 0.000 0.272 363 H C 1.503 176.695 175.328 -0.227 0.000 0.989 363 H CA 0.101 56.016 56.048 -0.222 0.000 1.214 363 H CB 0.286 29.701 29.762 -0.579 0.000 1.389 363 H HN 0.476 nan 8.280 nan 0.000 0.577 364 G N 1.288 110.009 108.800 -0.131 0.000 2.536 364 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.277 364 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.277 364 G C 0.428 175.147 174.900 -0.301 0.000 1.155 364 G CA 0.243 45.158 45.100 -0.307 0.000 0.960 364 G HN 0.449 nan 8.290 nan 0.000 0.544 365 Q N 0.094 119.717 119.800 -0.295 0.000 2.212 365 Q HA 0.464 4.804 4.340 -0.000 0.000 0.213 365 Q C 0.170 176.033 176.000 -0.229 0.000 0.874 365 Q CA -0.064 55.554 55.803 -0.308 0.000 0.965 365 Q CB 1.034 29.494 28.738 -0.463 0.000 1.074 365 Q HN 0.365 nan 8.270 nan 0.000 0.473 366 V N 2.208 122.039 119.914 -0.137 0.000 2.368 366 V HA 0.183 4.303 4.120 -0.000 0.000 0.266 366 V C 0.211 176.261 176.094 -0.072 0.000 1.045 366 V CA -0.127 62.138 62.300 -0.058 0.000 0.899 366 V CB 0.568 32.333 31.823 -0.098 0.000 1.006 366 V HN 0.350 nan 8.190 nan 0.000 0.470 367 M N 4.327 123.897 119.600 -0.050 0.000 2.369 367 M HA 0.597 5.077 4.480 -0.000 0.000 0.291 367 M C -0.326 175.883 176.300 -0.152 0.000 1.178 367 M CA -0.424 54.797 55.300 -0.132 0.000 0.996 367 M CB 1.351 33.808 32.600 -0.237 0.000 1.472 367 M HN 0.919 nan 8.290 nan 0.000 0.496 368 D N -2.627 117.680 120.400 -0.156 0.000 2.653 368 D HA 0.200 4.840 4.640 -0.000 0.000 0.258 368 D C 0.016 176.290 176.300 -0.044 0.000 1.252 368 D CA -0.683 53.265 54.000 -0.086 0.000 0.777 368 D CB 1.156 41.942 40.800 -0.023 0.000 1.339 368 D HN 0.606 nan 8.370 nan 0.000 0.422 369 E N -0.539 119.671 120.200 0.018 0.000 2.048 369 E HA -0.319 4.031 4.350 -0.000 0.000 0.202 369 E C 1.512 178.170 176.600 0.098 0.000 1.021 369 E CA 1.676 58.122 56.400 0.076 0.000 0.825 369 E CB 0.046 29.808 29.700 0.102 0.000 0.756 369 E HN 0.437 nan 8.360 nan 0.000 0.454 370 Q N -0.275 119.578 119.800 0.088 0.000 2.028 370 Q HA -0.225 4.115 4.340 -0.000 0.000 0.213 370 Q C 2.349 178.413 176.000 0.106 0.000 1.017 370 Q CA 2.507 58.368 55.803 0.098 0.000 0.875 370 Q CB -0.901 27.892 28.738 0.092 0.000 0.962 370 Q HN 0.370 nan 8.270 nan 0.000 0.413 371 T N 1.314 115.928 114.554 0.100 0.000 2.652 371 T HA -0.163 4.187 4.350 -0.000 0.000 0.267 371 T C 2.016 176.777 174.700 0.101 0.000 1.039 371 T CA 1.648 63.814 62.100 0.109 0.000 1.153 371 T CB -0.299 68.634 68.868 0.107 0.000 0.863 371 T HN 0.233 nan 8.240 nan 0.000 0.428 372 M N 0.524 120.172 119.600 0.081 0.000 2.144 372 M HA -0.128 4.352 4.480 -0.000 0.000 0.260 372 M C 2.365 178.819 176.300 0.258 0.000 1.067 372 M CA 1.342 56.738 55.300 0.160 0.000 1.095 372 M CB -0.455 32.262 32.600 0.195 0.000 1.365 372 M HN 0.104 nan 8.290 nan 0.000 0.406 373 V N -0.384 119.645 119.914 0.191 0.000 2.453 373 V HA -0.259 3.861 4.120 -0.000 0.000 0.247 373 V C 2.161 178.307 176.094 0.086 0.000 1.048 373 V CA 1.765 64.164 62.300 0.166 0.000 1.049 373 V CB -0.684 31.246 31.823 0.177 0.000 0.672 373 V HN 0.532 nan 8.190 nan 0.000 0.457 374 Q N 0.109 119.974 119.800 0.108 0.000 1.975 374 Q HA -0.272 4.068 4.340 -0.000 0.000 0.205 374 Q C 2.073 178.148 176.000 0.125 0.000 0.990 374 Q CA 2.410 58.277 55.803 0.108 0.000 0.845 374 Q CB -0.213 28.599 28.738 0.124 0.000 0.913 374 Q HN 0.593 nan 8.270 nan 0.000 0.420 375 D N 0.374 120.871 120.400 0.161 0.000 2.126 375 D HA -0.227 4.413 4.640 -0.000 0.000 0.190 375 D C 1.940 178.233 176.300 -0.012 0.000 1.001 375 D CA 1.610 55.706 54.000 0.160 0.000 0.841 375 D CB -0.440 40.412 40.800 0.087 0.000 0.949 375 D HN 0.381 nan 8.370 nan 0.000 0.446 376 I N 0.667 121.250 120.570 0.021 0.000 2.194 376 I HA -0.276 3.894 4.170 -0.000 0.000 0.246 376 I C 2.503 178.529 176.117 -0.152 0.000 1.093 376 I CA 0.760 61.994 61.300 -0.109 0.000 1.355 376 I CB -0.186 37.726 38.000 -0.147 0.000 1.046 376 I HN 0.041 nan 8.210 nan 0.000 0.413 377 L N -0.107 121.061 121.223 -0.092 0.000 2.056 377 L HA -0.208 4.132 4.340 -0.000 0.000 0.207 377 L C 2.546 179.479 176.870 0.104 0.000 1.078 377 L CA 1.350 56.180 54.840 -0.017 0.000 0.749 377 L CB -0.543 41.512 42.059 -0.006 0.000 0.901 377 L HN 0.296 nan 8.230 nan 0.000 0.433 378 L N -0.888 120.434 121.223 0.165 0.000 1.976 378 L HA -0.270 4.070 4.340 -0.000 0.000 0.209 378 L C 2.745 179.792 176.870 0.294 0.000 1.071 378 L CA 1.399 56.414 54.840 0.291 0.000 0.746 378 L CB -0.488 41.855 42.059 0.473 0.000 0.890 378 L HN 0.238 nan 8.230 nan 0.000 0.432 379 M N -0.318 119.351 119.600 0.116 0.000 2.308 379 M HA -0.357 4.123 4.480 -0.000 0.000 0.257 379 M C 2.402 178.820 176.300 0.197 0.000 1.070 379 M CA 2.053 57.338 55.300 -0.025 0.000 1.080 379 M CB -0.605 31.737 32.600 -0.430 0.000 1.274 379 M HN 0.162 nan 8.290 nan 0.000 0.434 380 K N -0.153 120.237 120.400 -0.015 0.000 2.032 380 K HA -0.212 4.108 4.320 -0.000 0.000 0.209 380 K C 1.940 178.495 176.600 -0.075 0.000 1.048 380 K CA 1.697 57.862 56.287 -0.204 0.000 0.927 380 K CB -0.355 31.800 32.500 -0.575 0.000 0.712 380 K HN 0.507 nan 8.250 nan 0.000 0.441 381 Q N 0.382 120.287 119.800 0.176 0.000 2.234 381 Q HA -0.081 4.259 4.340 -0.000 0.000 0.206 381 Q C 1.051 177.299 176.000 0.413 0.000 0.980 381 Q CA 0.862 56.895 55.803 0.383 0.000 0.869 381 Q CB 0.043 29.007 28.738 0.377 0.000 0.912 381 Q HN 0.242 nan 8.270 nan 0.000 0.436 382 N N 0.572 119.479 118.700 0.346 0.000 2.295 382 N HA 0.026 4.766 4.740 -0.000 0.000 0.221 382 N C -0.662 174.871 175.510 0.039 0.000 1.129 382 N CA 0.100 53.328 53.050 0.296 0.000 0.836 382 N CB 0.565 39.343 38.487 0.484 0.000 1.040 382 N HN 0.156 nan 8.380 nan 0.000 0.494 383 N N -0.045 118.675 118.700 0.033 0.000 2.776 383 N HA -0.186 4.554 4.740 -0.000 0.000 0.249 383 N C -1.061 174.248 175.510 -0.335 0.000 1.111 383 N CA 0.669 53.613 53.050 -0.176 0.000 0.711 383 N CB -1.925 36.288 38.487 -0.458 0.000 1.065 383 N HN 0.226 nan 8.380 nan 0.000 0.556 384 F N 0.244 120.190 119.950 -0.007 0.000 2.385 384 F HA 0.362 4.889 4.527 -0.000 0.000 0.336 384 F C 1.809 177.613 175.800 0.006 0.000 1.100 384 F CA -0.621 57.383 58.000 0.007 0.000 1.116 384 F CB 0.873 39.865 39.000 -0.014 0.000 1.166 384 F HN -0.155 nan 8.300 nan 0.000 0.511 385 N N 1.032 119.879 118.700 0.245 0.000 2.414 385 N HA 0.338 5.078 4.740 -0.000 0.000 0.177 385 N C -0.416 175.185 175.510 0.150 0.000 1.062 385 N CA 0.458 53.616 53.050 0.179 0.000 0.890 385 N CB 0.596 39.269 38.487 0.310 0.000 1.070 385 N HN 0.653 nan 8.380 nan 0.000 0.454 386 A N -0.800 122.176 122.820 0.262 0.000 2.581 386 A HA 0.672 4.992 4.320 -0.000 0.000 0.290 386 A C -1.622 176.202 177.584 0.399 0.000 1.119 386 A CA -0.491 51.749 52.037 0.338 0.000 0.670 386 A CB 1.287 20.577 19.000 0.483 0.000 1.280 386 A HN -0.047 nan 8.150 nan 0.000 0.425 387 V N 0.008 120.176 119.914 0.423 0.000 3.147 387 V HA 0.871 4.991 4.120 -0.000 0.000 0.306 387 V C -1.105 175.066 176.094 0.130 0.000 1.209 387 V CA -0.661 61.827 62.300 0.314 0.000 1.023 387 V CB 2.041 33.972 31.823 0.180 0.000 1.059 387 V HN 1.322 nan 8.190 nan 0.000 0.435 388 R N 4.489 124.941 120.500 -0.080 0.000 2.409 388 R HA 0.498 4.838 4.340 -0.000 0.000 0.313 388 R C -0.956 175.244 176.300 -0.167 0.000 0.953 388 R CA -0.438 55.485 56.100 -0.296 0.000 0.849 388 R CB 1.086 30.920 30.300 -0.776 0.000 1.171 388 R HN 0.864 nan 8.270 nan 0.000 0.458 389 C N 4.336 123.575 119.300 -0.101 0.000 2.833 389 C HA 0.090 4.550 4.460 -0.000 0.000 0.394 389 C C 0.865 175.641 174.990 -0.356 0.000 1.136 389 C CA -0.457 58.461 59.018 -0.168 0.000 1.250 389 C CB -2.239 25.496 27.740 -0.007 0.000 1.848 389 C HN 0.678 nan 8.230 nan 0.000 0.572 390 S N 1.939 117.308 115.700 -0.553 0.000 2.465 390 S HA 0.285 4.755 4.470 -0.000 0.000 0.279 390 S C -0.260 173.363 174.600 -1.628 0.000 1.201 390 S CA -0.199 57.453 58.200 -0.914 0.000 1.053 390 S CB 0.362 62.944 63.200 -1.030 0.000 0.953 390 S HN 0.733 nan 8.310 nan 0.000 0.488 391 H N 3.883 122.141 119.070 -1.353 0.000 2.379 391 H HA 0.352 4.908 4.556 -0.000 0.000 0.229 391 H C -1.209 173.965 175.328 -0.256 0.000 1.423 391 H CA -0.319 55.432 56.048 -0.495 0.000 1.375 391 H CB -0.180 29.513 29.762 -0.114 0.000 1.592 391 H HN 0.877 nan 8.280 nan 0.000 0.507 392 Y N -2.728 117.659 120.300 0.145 0.000 2.765 392 Y HA 0.354 4.904 4.550 -0.000 0.000 0.350 392 Y C -3.288 172.709 175.900 0.161 0.000 1.196 392 Y CA -3.055 55.140 58.100 0.158 0.000 1.119 392 Y CB -0.104 38.447 38.460 0.151 0.000 1.368 392 Y HN -0.077 nan 8.280 nan 0.000 0.463 393 P HA 0.108 nan 4.420 nan 0.000 0.265 393 P C -0.442 177.144 177.300 0.476 0.000 1.193 393 P CA 0.381 63.739 63.100 0.431 0.000 0.765 393 P CB 0.588 32.488 31.700 0.333 0.000 0.823 394 N N 0.856 119.825 118.700 0.449 0.000 2.374 394 N HA 0.053 4.793 4.740 -0.000 0.000 0.284 394 N C 0.127 175.870 175.510 0.388 0.000 1.280 394 N CA -0.514 52.707 53.050 0.286 0.000 0.963 394 N CB 0.256 38.703 38.487 -0.067 0.000 1.141 394 N HN 0.587 nan 8.380 nan 0.000 0.565 395 H N 1.497 120.668 119.070 0.168 0.000 2.668 395 H HA 0.138 4.694 4.556 -0.000 0.000 0.303 395 H C -1.888 173.612 175.328 0.286 0.000 1.074 395 H CA -1.765 54.400 56.048 0.194 0.000 1.406 395 H CB 1.090 30.918 29.762 0.109 0.000 1.442 395 H HN 0.370 nan 8.280 nan 0.000 0.482 396 P HA -0.333 nan 4.420 nan 0.000 0.232 396 P C 1.802 179.363 177.300 0.434 0.000 1.135 396 P CA 1.417 64.690 63.100 0.288 0.000 0.969 396 P CB 0.127 31.806 31.700 -0.034 0.000 0.777 397 L N -1.599 119.938 121.223 0.523 0.000 2.079 397 L HA -0.123 4.217 4.340 -0.000 0.000 0.210 397 L C 2.349 179.452 176.870 0.389 0.000 1.081 397 L CA 1.507 56.626 54.840 0.465 0.000 0.752 397 L CB -1.478 40.898 42.059 0.527 0.000 0.896 397 L HN 0.142 nan 8.230 nan 0.000 0.433 398 W N -0.036 121.351 121.300 0.146 0.000 2.247 398 W HA -0.436 4.224 4.660 -0.000 0.000 0.330 398 W C 2.382 178.817 176.519 -0.141 0.000 1.278 398 W CA 2.307 59.590 57.345 -0.103 0.000 1.174 398 W CB -0.794 28.469 29.460 -0.328 0.000 1.153 398 W HN 0.281 nan 8.180 nan 0.000 0.464 399 Y N 0.991 121.224 120.300 -0.112 0.000 2.133 399 Y HA -0.372 4.178 4.550 -0.000 0.000 0.279 399 Y C 2.690 178.305 175.900 -0.475 0.000 1.209 399 Y CA 2.395 60.172 58.100 -0.538 0.000 1.152 399 Y CB -1.698 36.154 38.460 -1.013 0.000 0.961 399 Y HN -0.043 nan 8.280 nan 0.000 0.512 400 T N 0.803 115.321 114.554 -0.061 0.000 2.674 400 T HA -0.173 4.176 4.350 -0.000 0.000 0.265 400 T C 2.036 176.724 174.700 -0.021 0.000 1.039 400 T CA 1.702 63.830 62.100 0.047 0.000 1.150 400 T CB -0.736 68.221 68.868 0.148 0.000 0.864 400 T HN 0.252 nan 8.240 nan 0.000 0.427 401 L N 0.711 121.918 121.223 -0.027 0.000 1.990 401 L HA -0.174 4.166 4.340 -0.000 0.000 0.213 401 L C 3.034 179.847 176.870 -0.094 0.000 1.072 401 L CA 1.265 56.080 54.840 -0.041 0.000 0.755 401 L CB -1.157 40.969 42.059 0.112 0.000 0.889 401 L HN 0.377 nan 8.230 nan 0.000 0.432 402 C N 0.068 119.194 119.300 -0.290 0.000 2.401 402 C HA -0.185 4.275 4.460 -0.000 0.000 0.276 402 C C 2.475 177.468 174.990 0.005 0.000 1.233 402 C CA 0.645 59.502 59.018 -0.269 0.000 1.753 402 C CB -1.023 26.404 27.740 -0.522 0.000 2.029 402 C HN 0.580 nan 8.230 nan 0.000 0.478 403 D N 0.743 121.141 120.400 -0.003 0.000 2.106 403 D HA -0.142 4.498 4.640 -0.000 0.000 0.191 403 D C 2.258 178.741 176.300 0.304 0.000 0.997 403 D CA 1.335 55.416 54.000 0.135 0.000 0.834 403 D CB -0.526 40.301 40.800 0.044 0.000 0.956 403 D HN 0.609 nan 8.370 nan 0.000 0.448 404 R N -0.462 120.087 120.500 0.081 0.000 2.075 404 R HA -0.094 4.246 4.340 -0.000 0.000 0.232 404 R C 2.368 178.620 176.300 -0.079 0.000 1.126 404 R CA 0.808 56.892 56.100 -0.027 0.000 0.963 404 R CB -0.440 29.738 30.300 -0.203 0.000 0.858 404 R HN 0.254 nan 8.270 nan 0.000 0.435 405 Y N 0.367 120.689 120.300 0.036 0.000 2.286 405 Y HA 0.132 4.682 4.550 -0.000 0.000 0.293 405 Y C 1.248 177.079 175.900 -0.115 0.000 1.124 405 Y CA 0.988 59.077 58.100 -0.019 0.000 1.178 405 Y CB -0.005 38.419 38.460 -0.059 0.000 1.010 405 Y HN 0.330 nan 8.280 nan 0.000 0.536 406 G N 0.575 109.372 108.800 -0.005 0.000 2.698 406 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.360 406 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.360 406 G C -1.209 173.493 174.900 -0.329 0.000 1.005 406 G CA -0.549 44.375 45.100 -0.293 0.000 1.293 406 G HN 0.131 nan 8.290 nan 0.000 0.590 407 L N 1.680 122.751 121.223 -0.252 0.000 2.614 407 L HA 0.301 4.641 4.340 -0.000 0.000 0.264 407 L C -0.411 176.377 176.870 -0.136 0.000 0.940 407 L CA -1.172 53.500 54.840 -0.280 0.000 0.903 407 L CB 1.652 43.582 42.059 -0.214 0.000 1.306 407 L HN 0.423 nan 8.230 nan 0.000 0.410 408 Y N 2.701 123.098 120.300 0.162 0.000 2.620 408 Y HA 0.207 4.757 4.550 -0.000 0.000 0.330 408 Y C 0.477 176.470 175.900 0.154 0.000 1.186 408 Y CA -0.152 58.071 58.100 0.206 0.000 1.467 408 Y CB 0.436 39.015 38.460 0.198 0.000 1.262 408 Y HN 0.131 nan 8.280 nan 0.000 0.550 409 V N 4.121 124.185 119.914 0.250 0.000 2.628 409 V HA 0.481 4.601 4.120 -0.000 0.000 0.306 409 V C -0.553 175.588 176.094 0.078 0.000 1.045 409 V CA -1.072 61.305 62.300 0.128 0.000 0.905 409 V CB 2.065 33.918 31.823 0.050 0.000 0.997 409 V HN 0.447 nan 8.190 nan 0.000 0.436 410 V N 2.883 122.812 119.914 0.025 0.000 2.357 410 V HA 0.362 4.482 4.120 -0.000 0.000 0.284 410 V C -0.415 175.695 176.094 0.027 0.000 1.018 410 V CA -0.475 61.802 62.300 -0.040 0.000 0.841 410 V CB 1.612 33.328 31.823 -0.178 0.000 0.991 410 V HN 0.868 nan 8.190 nan 0.000 0.437 411 D N 4.133 124.576 120.400 0.072 0.000 2.312 411 D HA 0.273 4.913 4.640 -0.000 0.000 0.252 411 D C -0.166 176.289 176.300 0.257 0.000 1.150 411 D CA 0.095 54.237 54.000 0.236 0.000 0.870 411 D CB 1.367 42.352 40.800 0.307 0.000 1.153 411 D HN 0.727 nan 8.370 nan 0.000 0.457 412 E N 1.830 122.170 120.200 0.233 0.000 2.224 412 E HA 0.590 4.940 4.350 -0.000 0.000 0.265 412 E C -1.161 175.575 176.600 0.227 0.000 0.878 412 E CA -1.003 55.520 56.400 0.205 0.000 0.759 412 E CB 1.331 31.103 29.700 0.121 0.000 1.164 412 E HN 0.390 nan 8.360 nan 0.000 0.414 413 A N 3.927 126.879 122.820 0.221 0.000 2.425 413 A HA 0.098 4.418 4.320 -0.000 0.000 0.242 413 A C 0.407 178.117 177.584 0.211 0.000 1.077 413 A CA -0.338 51.816 52.037 0.194 0.000 0.781 413 A CB 0.210 19.295 19.000 0.142 0.000 1.020 413 A HN 0.736 nan 8.150 nan 0.000 0.494 414 N N 1.112 119.946 118.700 0.222 0.000 3.027 414 N HA 0.181 4.920 4.740 -0.000 0.000 0.309 414 N C -1.059 174.578 175.510 0.212 0.000 1.222 414 N CA 0.316 53.524 53.050 0.263 0.000 1.187 414 N CB -0.963 37.681 38.487 0.261 0.000 1.458 414 N HN 0.471 nan 8.380 nan 0.000 0.535 415 I N 0.938 121.625 120.570 0.196 0.000 2.529 415 I HA 0.231 4.401 4.170 -0.000 0.000 0.284 415 I C -0.630 175.578 176.117 0.152 0.000 1.088 415 I CA -0.535 60.862 61.300 0.162 0.000 1.062 415 I CB 1.837 39.911 38.000 0.123 0.000 1.218 415 I HN 0.209 nan 8.210 nan 0.000 0.442 416 E N 4.032 124.318 120.200 0.144 0.000 2.281 416 E HA 0.324 4.674 4.350 -0.000 0.000 0.266 416 E C -0.367 176.291 176.600 0.096 0.000 0.893 416 E CA -0.451 56.011 56.400 0.103 0.000 0.798 416 E CB 1.466 31.221 29.700 0.091 0.000 1.245 416 E HN 0.581 nan 8.360 nan 0.000 0.410 417 T N 0.886 115.490 114.554 0.083 0.000 3.269 417 T HA 0.139 4.488 4.350 -0.000 0.000 0.269 417 T C 1.009 175.767 174.700 0.096 0.000 0.993 417 T CA -0.142 62.030 62.100 0.119 0.000 0.909 417 T CB -0.291 68.617 68.868 0.068 0.000 1.115 417 T HN 0.674 nan 8.240 nan 0.000 0.543 418 H N 1.486 120.494 119.070 -0.102 0.000 2.272 418 H HA -0.145 4.411 4.556 -0.000 0.000 0.289 418 H C 2.298 177.520 175.328 -0.176 0.000 1.100 418 H CA 1.585 57.534 56.048 -0.165 0.000 1.209 418 H CB -0.403 29.229 29.762 -0.217 0.000 1.348 418 H HN 0.568 nan 8.280 nan 0.000 0.481 419 G N 0.566 109.259 108.800 -0.178 0.000 2.807 419 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.207 419 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.207 419 G C 0.404 175.443 174.900 0.231 0.000 1.151 419 G CA -0.027 45.007 45.100 -0.109 0.000 0.800 419 G HN 0.184 nan 8.290 nan 0.000 0.523 420 M N 0.037 119.793 119.600 0.260 0.000 2.163 420 M HA 0.356 4.836 4.480 -0.000 0.000 0.305 420 M C -0.370 175.982 176.300 0.088 0.000 1.166 420 M CA -0.228 55.187 55.300 0.191 0.000 1.132 420 M CB 1.448 34.113 32.600 0.108 0.000 1.413 420 M HN -0.184 nan 8.290 nan 0.000 0.478 421 V N 2.084 122.026 119.914 0.048 0.000 2.488 421 V HA 0.318 4.438 4.120 -0.000 0.000 0.293 421 V C -2.198 173.900 176.094 0.006 0.000 1.027 421 V CA -1.385 60.928 62.300 0.021 0.000 0.862 421 V CB 1.632 33.464 31.823 0.015 0.000 1.008 421 V HN 0.685 nan 8.190 nan 0.000 0.428 422 P HA 0.246 nan 4.420 nan 0.000 0.274 422 P C 1.178 178.484 177.300 0.010 0.000 1.264 422 P CA -0.379 62.723 63.100 0.003 0.000 0.795 422 P CB 0.603 32.305 31.700 0.003 0.000 1.064 423 M N 0.236 119.841 119.600 0.009 0.000 2.279 423 M HA -0.213 4.267 4.480 -0.000 0.000 0.264 423 M C 1.575 177.888 176.300 0.022 0.000 1.062 423 M CA 1.563 56.872 55.300 0.015 0.000 1.099 423 M CB -0.342 32.243 32.600 -0.025 0.000 1.394 423 M HN 0.276 nan 8.290 nan 0.000 0.426 424 N N 0.744 119.457 118.700 0.021 0.000 2.069 424 N HA -0.209 4.531 4.740 -0.000 0.000 0.191 424 N C 1.376 176.866 175.510 -0.034 0.000 1.031 424 N CA 1.506 54.565 53.050 0.014 0.000 0.852 424 N CB -0.256 38.237 38.487 0.010 0.000 1.018 424 N HN 0.236 nan 8.380 nan 0.000 0.423 425 R N 0.147 120.623 120.500 -0.039 0.000 2.305 425 R HA -0.246 4.094 4.340 -0.000 0.000 0.226 425 R C 2.164 178.383 176.300 -0.135 0.000 1.105 425 R CA 2.457 58.515 56.100 -0.070 0.000 0.832 425 R CB -0.899 29.362 30.300 -0.064 0.000 0.982 425 R HN 0.269 nan 8.270 nan 0.000 0.391 426 L N -1.038 120.038 121.223 -0.245 0.000 2.005 426 L HA -0.149 4.191 4.340 -0.000 0.000 0.207 426 L C 2.591 179.304 176.870 -0.263 0.000 1.072 426 L CA 2.094 56.653 54.840 -0.467 0.000 0.744 426 L CB -1.084 40.502 42.059 -0.790 0.000 0.895 426 L HN 0.603 nan 8.230 nan 0.000 0.433 427 T N -4.222 110.212 114.554 -0.200 0.000 3.025 427 T HA -0.190 4.160 4.350 -0.000 0.000 0.270 427 T C 1.122 175.713 174.700 -0.182 0.000 1.126 427 T CA 1.313 63.279 62.100 -0.222 0.000 1.105 427 T CB -0.301 68.379 68.868 -0.314 0.000 0.884 427 T HN 0.147 nan 8.240 nan 0.000 0.522 428 D N 1.216 121.551 120.400 -0.108 0.000 2.388 428 D HA 0.162 4.802 4.640 -0.000 0.000 0.221 428 D C -0.601 175.678 176.300 -0.035 0.000 1.133 428 D CA -0.340 53.610 54.000 -0.083 0.000 0.831 428 D CB 0.069 40.833 40.800 -0.060 0.000 0.962 428 D HN 0.416 nan 8.370 nan 0.000 0.502 429 D N -0.436 119.964 120.400 -0.001 0.000 2.462 429 D HA 0.211 4.851 4.640 -0.000 0.000 0.245 429 D C -1.760 174.601 176.300 0.101 0.000 1.122 429 D CA -2.297 51.745 54.000 0.070 0.000 0.864 429 D CB 1.950 42.823 40.800 0.123 0.000 1.098 429 D HN -0.174 nan 8.370 nan 0.000 0.541 430 P HA -0.255 nan 4.420 nan 0.000 0.219 430 P C 0.962 178.253 177.300 -0.015 0.000 1.153 430 P CA 1.314 64.416 63.100 0.003 0.000 0.865 430 P CB 0.222 31.915 31.700 -0.013 0.000 0.788 431 R N -2.171 118.313 120.500 -0.026 0.000 2.200 431 R HA -0.121 4.219 4.340 -0.000 0.000 0.234 431 R C 1.905 178.017 176.300 -0.313 0.000 1.127 431 R CA 1.387 57.377 56.100 -0.184 0.000 0.989 431 R CB -0.909 29.234 30.300 -0.263 0.000 0.869 431 R HN 0.372 nan 8.270 nan 0.000 0.459 432 W N -0.893 120.350 121.300 -0.094 0.000 3.114 432 W HA 0.186 4.846 4.660 -0.000 0.000 0.279 432 W C 1.410 177.871 176.519 -0.098 0.000 1.277 432 W CA -0.536 56.753 57.345 -0.093 0.000 1.630 432 W CB -0.119 29.284 29.460 -0.095 0.000 1.087 432 W HN -0.018 nan 8.180 nan 0.000 0.637 433 L N 2.392 123.654 121.223 0.065 0.000 2.051 433 L HA -0.171 4.169 4.340 -0.000 0.000 0.214 433 L C -0.636 176.209 176.870 -0.041 0.000 1.076 433 L CA 2.375 57.209 54.840 -0.009 0.000 0.758 433 L CB -1.996 40.044 42.059 -0.031 0.000 0.890 433 L HN -0.116 nan 8.230 nan 0.000 0.433 434 P HA -0.074 nan 4.420 nan 0.000 0.215 434 P C 1.705 178.966 177.300 -0.065 0.000 1.157 434 P CA 2.027 65.079 63.100 -0.079 0.000 0.859 434 P CB -0.189 31.454 31.700 -0.095 0.000 0.786 435 A N -0.318 122.484 122.820 -0.030 0.000 1.883 435 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 435 A C 2.259 179.866 177.584 0.037 0.000 1.186 435 A CA 2.303 54.355 52.037 0.025 0.000 0.624 435 A CB -1.597 17.460 19.000 0.096 0.000 0.822 435 A HN 0.094 nan 8.150 nan 0.000 0.444 436 M N -0.409 119.220 119.600 0.047 0.000 2.117 436 M HA -0.151 4.329 4.480 -0.000 0.000 0.262 436 M C 2.537 178.796 176.300 -0.069 0.000 1.065 436 M CA 1.713 57.014 55.300 0.000 0.000 1.114 436 M CB -0.561 32.016 32.600 -0.039 0.000 1.361 436 M HN 0.612 nan 8.290 nan 0.000 0.408 437 S N 0.822 116.458 115.700 -0.106 0.000 2.368 437 S HA -0.234 4.236 4.470 -0.000 0.000 0.226 437 S C 1.748 176.207 174.600 -0.235 0.000 1.044 437 S CA 1.872 59.951 58.200 -0.202 0.000 1.062 437 S CB -0.384 62.690 63.200 -0.210 0.000 0.931 437 S HN 0.507 nan 8.310 nan 0.000 0.440 438 E N 0.588 120.693 120.200 -0.158 0.000 2.110 438 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 438 E C 2.469 178.996 176.600 -0.120 0.000 0.988 438 E CA 1.042 57.354 56.400 -0.146 0.000 0.804 438 E CB -0.200 29.448 29.700 -0.087 0.000 0.745 438 E HN 0.613 nan 8.360 nan 0.000 0.458 439 R N 0.379 120.836 120.500 -0.072 0.000 2.083 439 R HA -0.127 4.213 4.340 -0.000 0.000 0.237 439 R C 2.508 178.777 176.300 -0.051 0.000 1.137 439 R CA 1.418 57.504 56.100 -0.024 0.000 0.951 439 R CB -0.441 29.878 30.300 0.032 0.000 0.851 439 R HN 0.028 nan 8.270 nan 0.000 0.434 440 V N 0.914 120.762 119.914 -0.110 0.000 2.255 440 V HA -0.244 3.876 4.120 -0.000 0.000 0.243 440 V C 2.601 178.548 176.094 -0.246 0.000 1.038 440 V CA 2.296 64.514 62.300 -0.137 0.000 1.008 440 V CB -0.991 30.746 31.823 -0.144 0.000 0.645 440 V HN 0.556 nan 8.190 nan 0.000 0.449 441 T N -0.120 114.162 114.554 -0.454 0.000 2.624 441 T HA -0.348 4.002 4.350 -0.000 0.000 0.268 441 T C 1.941 176.482 174.700 -0.266 0.000 1.041 441 T CA 2.011 63.743 62.100 -0.613 0.000 1.159 441 T CB -0.563 67.885 68.868 -0.700 0.000 0.863 441 T HN 0.398 nan 8.240 nan 0.000 0.434 442 R N 0.621 121.000 120.500 -0.202 0.000 2.096 442 R HA 0.047 4.387 4.340 -0.000 0.000 0.235 442 R C 2.744 178.984 176.300 -0.100 0.000 1.127 442 R CA 1.737 57.762 56.100 -0.125 0.000 0.968 442 R CB -0.505 29.735 30.300 -0.099 0.000 0.861 442 R HN 0.610 nan 8.270 nan 0.000 0.440 443 M N 0.673 120.224 119.600 -0.081 0.000 2.077 443 M HA -0.136 4.344 4.480 -0.000 0.000 0.261 443 M C 1.925 178.185 176.300 -0.067 0.000 1.070 443 M CA 1.755 57.041 55.300 -0.025 0.000 1.125 443 M CB -0.050 32.582 32.600 0.053 0.000 1.339 443 M HN -0.059 nan 8.290 nan 0.000 0.409 444 V N 1.186 120.975 119.914 -0.209 0.000 2.282 444 V HA -0.321 3.799 4.120 -0.000 0.000 0.249 444 V C 2.426 178.406 176.094 -0.190 0.000 1.057 444 V CA 2.388 64.441 62.300 -0.411 0.000 1.032 444 V CB -1.445 30.068 31.823 -0.516 0.000 0.645 444 V HN 0.615 nan 8.190 nan 0.000 0.447 445 Q N -0.478 119.248 119.800 -0.124 0.000 2.096 445 Q HA -0.290 4.050 4.340 -0.000 0.000 0.208 445 Q C 2.564 178.481 176.000 -0.138 0.000 0.993 445 Q CA 2.311 58.056 55.803 -0.097 0.000 0.862 445 Q CB -0.256 28.455 28.738 -0.045 0.000 0.915 445 Q HN 0.580 nan 8.270 nan 0.000 0.416 446 R N 0.242 120.654 120.500 -0.147 0.000 2.066 446 R HA -0.117 4.223 4.340 -0.000 0.000 0.232 446 R C 0.557 176.745 176.300 -0.188 0.000 1.131 446 R CA 1.683 57.669 56.100 -0.191 0.000 0.955 446 R CB 0.247 30.449 30.300 -0.163 0.000 0.851 446 R HN 0.247 nan 8.270 nan 0.000 0.432 447 D N -0.190 120.149 120.400 -0.102 0.000 2.402 447 D HA 0.003 4.643 4.640 -0.000 0.000 0.216 447 D C 1.076 177.390 176.300 0.024 0.000 1.128 447 D CA 0.014 53.966 54.000 -0.081 0.000 0.833 447 D CB 0.403 41.076 40.800 -0.213 0.000 0.971 447 D HN 0.363 nan 8.370 nan 0.000 0.503 448 R N 0.682 121.204 120.500 0.036 0.000 2.341 448 R HA 0.017 4.357 4.340 -0.000 0.000 0.213 448 R C 0.965 177.199 176.300 -0.110 0.000 1.082 448 R CA 0.969 57.120 56.100 0.086 0.000 1.017 448 R CB -0.332 29.955 30.300 -0.022 0.000 0.860 448 R HN -0.091 nan 8.270 nan 0.000 0.473 449 N N 0.006 118.542 118.700 -0.273 0.000 2.236 449 N HA -0.008 4.732 4.740 -0.000 0.000 0.196 449 N C -0.533 174.788 175.510 -0.315 0.000 1.114 449 N CA 0.100 52.962 53.050 -0.313 0.000 0.859 449 N CB 0.166 38.419 38.487 -0.390 0.000 0.982 449 N HN 0.281 nan 8.380 nan 0.000 0.493 450 H N 1.806 120.769 119.070 -0.178 0.000 2.944 450 H HA 0.097 4.653 4.556 -0.000 0.000 0.278 450 H C -1.203 173.951 175.328 -0.290 0.000 1.083 450 H CA -1.325 54.603 56.048 -0.199 0.000 1.479 450 H CB 1.124 30.799 29.762 -0.145 0.000 1.486 450 H HN 0.064 nan 8.280 nan 0.000 0.493 451 P HA -0.177 nan 4.420 nan 0.000 0.221 451 P C 1.520 178.397 177.300 -0.705 0.000 1.145 451 P CA 1.219 63.983 63.100 -0.559 0.000 0.795 451 P CB 0.288 31.421 31.700 -0.946 0.000 0.775 452 S N -0.997 114.369 115.700 -0.557 0.000 2.355 452 S HA -0.055 4.415 4.470 -0.000 0.000 0.222 452 S C 1.142 175.700 174.600 -0.070 0.000 1.031 452 S CA 0.486 58.508 58.200 -0.297 0.000 0.993 452 S CB -1.580 61.562 63.200 -0.097 0.000 0.859 452 S HN -0.058 nan 8.310 nan 0.000 0.453 453 V N 3.172 123.033 119.914 -0.088 0.000 2.763 453 V HA 0.202 4.322 4.120 -0.000 0.000 0.306 453 V C 0.956 176.922 176.094 -0.213 0.000 1.059 453 V CA 0.902 63.109 62.300 -0.154 0.000 1.138 453 V CB 0.670 32.301 31.823 -0.319 0.000 0.940 453 V HN 0.727 nan 8.190 nan 0.000 0.489 454 I N 1.286 121.729 120.570 -0.212 0.000 4.661 454 I HA 0.535 4.705 4.170 -0.000 0.000 0.372 454 I C -0.212 175.779 176.117 -0.210 0.000 1.209 454 I CA 0.140 61.343 61.300 -0.163 0.000 1.313 454 I CB 0.357 38.357 38.000 0.001 0.000 1.949 454 I HN 0.356 nan 8.210 nan 0.000 0.651 455 I N 0.558 120.940 120.570 -0.312 0.000 2.753 455 I HA 0.357 4.527 4.170 -0.000 0.000 0.291 455 I C -1.688 174.263 176.117 -0.278 0.000 1.425 455 I CA -0.288 60.877 61.300 -0.224 0.000 1.039 455 I CB 1.742 39.713 38.000 -0.049 0.000 1.349 455 I HN 0.045 nan 8.210 nan 0.000 0.430 456 W N 3.440 124.784 121.300 0.074 0.000 2.578 456 W HA 0.722 5.382 4.660 -0.000 0.000 0.346 456 W C 0.289 176.867 176.519 0.098 0.000 1.075 456 W CA -0.794 56.601 57.345 0.084 0.000 1.233 456 W CB 1.754 31.264 29.460 0.083 0.000 1.358 456 W HN 0.324 nan 8.180 nan 0.000 0.574 457 S N 1.608 117.527 115.700 0.365 0.000 2.547 457 S HA 0.373 4.843 4.470 -0.000 0.000 0.281 457 S C 0.125 174.882 174.600 0.262 0.000 1.118 457 S CA -0.686 57.677 58.200 0.273 0.000 0.947 457 S CB 0.792 64.101 63.200 0.182 0.000 1.053 457 S HN 0.575 nan 8.310 nan 0.000 0.482 458 L N 3.930 125.296 121.223 0.239 0.000 2.622 458 L HA 0.314 4.654 4.340 -0.000 0.000 0.233 458 L C 1.411 178.367 176.870 0.144 0.000 1.156 458 L CA 0.581 55.506 54.840 0.142 0.000 0.866 458 L CB -1.345 40.709 42.059 -0.008 0.000 0.980 458 L HN 0.972 nan 8.230 nan 0.000 0.448 459 G N 0.035 108.974 108.800 0.232 0.000 2.265 459 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.246 459 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.246 459 G C -1.567 173.462 174.900 0.214 0.000 1.299 459 G CA -0.604 44.628 45.100 0.220 0.000 1.117 459 G HN 0.189 nan 8.290 nan 0.000 0.485 460 N N 0.507 119.284 118.700 0.128 0.000 2.371 460 N HA 0.462 5.202 4.740 -0.000 0.000 0.280 460 N C -0.224 175.197 175.510 -0.147 0.000 1.084 460 N CA 0.105 53.076 53.050 -0.132 0.000 0.892 460 N CB 1.412 39.561 38.487 -0.564 0.000 1.653 460 N HN 0.895 nan 8.380 nan 0.000 0.480 461 E N 0.625 120.646 120.200 -0.298 0.000 2.103 461 E HA -0.217 4.133 4.350 -0.000 0.000 0.186 461 E C -0.696 175.786 176.600 -0.197 0.000 1.392 461 E CA 0.608 56.777 56.400 -0.384 0.000 0.691 461 E CB -1.653 27.598 29.700 -0.748 0.000 1.068 461 E HN 0.362 nan 8.360 nan 0.000 0.328 462 S N -0.100 115.642 115.700 0.070 0.000 2.663 462 S HA 0.395 4.865 4.470 -0.000 0.000 0.243 462 S C 0.868 175.625 174.600 0.261 0.000 1.009 462 S CA 0.021 58.333 58.200 0.187 0.000 0.988 462 S CB 1.237 64.606 63.200 0.282 0.000 0.896 462 S HN 0.875 nan 8.310 nan 0.000 0.502 463 G N 1.848 110.741 108.800 0.156 0.000 2.562 463 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.250 463 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.250 463 G C -0.555 174.553 174.900 0.347 0.000 1.269 463 G CA -0.235 44.956 45.100 0.151 0.000 0.919 463 G HN 0.572 nan 8.290 nan 0.000 0.574 464 H N 0.579 119.771 119.070 0.204 0.000 2.744 464 H HA 0.594 5.150 4.556 -0.000 0.000 0.339 464 H C 0.114 175.609 175.328 0.279 0.000 1.004 464 H CA 0.132 56.353 56.048 0.289 0.000 1.257 464 H CB 1.005 30.868 29.762 0.169 0.000 1.552 464 H HN 1.295 nan 8.280 nan 0.000 0.522 465 G N 1.565 110.297 108.800 -0.113 0.000 2.619 465 G HA2 0.449 4.409 3.960 -0.000 0.000 0.296 465 G HA3 0.449 4.409 3.960 -0.000 0.000 0.296 465 G C 0.582 175.270 174.900 -0.353 0.000 1.334 465 G CA -0.158 44.752 45.100 -0.317 0.000 0.934 465 G HN 0.693 nan 8.290 nan 0.000 0.476 466 A N 1.004 123.685 122.820 -0.232 0.000 1.954 466 A HA -0.235 4.085 4.320 -0.000 0.000 0.222 466 A C 2.201 179.729 177.584 -0.093 0.000 1.199 466 A CA 2.560 54.527 52.037 -0.116 0.000 0.657 466 A CB -0.635 18.328 19.000 -0.061 0.000 0.823 466 A HN 0.615 nan 8.150 nan 0.000 0.463 467 N N -0.573 118.031 118.700 -0.160 0.000 2.205 467 N HA -0.157 4.583 4.740 -0.000 0.000 0.186 467 N C 1.359 176.762 175.510 -0.179 0.000 1.015 467 N CA 1.784 54.731 53.050 -0.172 0.000 0.862 467 N CB -0.770 37.592 38.487 -0.209 0.000 0.986 467 N HN 0.820 nan 8.380 nan 0.000 0.429 468 H N 0.443 119.448 119.070 -0.109 0.000 2.319 468 H HA -0.061 4.495 4.556 -0.000 0.000 0.299 468 H C 1.344 176.704 175.328 0.053 0.000 1.092 468 H CA 1.456 57.447 56.048 -0.096 0.000 1.302 468 H CB 0.061 29.745 29.762 -0.129 0.000 1.373 468 H HN 0.211 nan 8.280 nan 0.000 0.497 469 D N 0.414 120.939 120.400 0.208 0.000 2.106 469 D HA -0.198 4.442 4.640 -0.000 0.000 0.191 469 D C 2.323 178.771 176.300 0.245 0.000 0.997 469 D CA 1.398 55.538 54.000 0.233 0.000 0.834 469 D CB -0.458 40.443 40.800 0.168 0.000 0.956 469 D HN 0.455 nan 8.370 nan 0.000 0.448 470 A N 0.656 123.564 122.820 0.147 0.000 1.902 470 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 470 A C 2.456 180.142 177.584 0.171 0.000 1.181 470 A CA 0.974 53.092 52.037 0.135 0.000 0.623 470 A CB -0.751 18.290 19.000 0.069 0.000 0.818 470 A HN 0.196 nan 8.150 nan 0.000 0.443 471 L N -2.031 119.278 121.223 0.143 0.000 2.156 471 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 471 L C 2.499 179.500 176.870 0.219 0.000 1.095 471 L CA 1.375 56.303 54.840 0.147 0.000 0.770 471 L CB -0.677 41.409 42.059 0.045 0.000 0.914 471 L HN 0.593 nan 8.230 nan 0.000 0.439 472 Y N 0.744 121.117 120.300 0.121 0.000 2.070 472 Y HA -0.286 4.264 4.550 -0.000 0.000 0.280 472 Y C 2.872 178.842 175.900 0.117 0.000 1.148 472 Y CA 1.549 59.722 58.100 0.123 0.000 1.125 472 Y CB -0.234 38.301 38.460 0.124 0.000 0.975 472 Y HN -0.083 nan 8.280 nan 0.000 0.492 473 R N 0.061 120.579 120.500 0.030 0.000 2.083 473 R HA -0.259 4.081 4.340 -0.000 0.000 0.237 473 R C 2.157 178.414 176.300 -0.071 0.000 1.137 473 R CA 1.995 58.047 56.100 -0.081 0.000 0.951 473 R CB -1.819 28.535 30.300 0.090 0.000 0.851 473 R HN 0.701 nan 8.270 nan 0.000 0.434 474 W N 1.477 122.718 121.300 -0.098 0.000 2.304 474 W HA -0.237 4.423 4.660 -0.000 0.000 0.315 474 W C 1.896 178.313 176.519 -0.169 0.000 1.233 474 W CA 2.138 59.416 57.345 -0.111 0.000 1.261 474 W CB -0.290 29.115 29.460 -0.092 0.000 1.150 474 W HN 0.060 nan 8.180 nan 0.000 0.494 475 I N 0.378 120.948 120.570 -0.001 0.000 2.202 475 I HA -0.310 3.860 4.170 -0.000 0.000 0.242 475 I C 2.352 178.258 176.117 -0.351 0.000 1.091 475 I CA 1.275 62.432 61.300 -0.238 0.000 1.368 475 I CB -1.176 36.727 38.000 -0.161 0.000 1.058 475 I HN -0.094 nan 8.210 nan 0.000 0.410 476 K N 1.465 121.659 120.400 -0.343 0.000 2.089 476 K HA -0.145 4.175 4.320 -0.000 0.000 0.210 476 K C 2.277 178.718 176.600 -0.264 0.000 1.048 476 K CA 1.727 57.833 56.287 -0.303 0.000 0.926 476 K CB -0.758 31.519 32.500 -0.371 0.000 0.714 476 K HN 0.335 nan 8.250 nan 0.000 0.448 477 S N 0.823 116.325 115.700 -0.331 0.000 2.357 477 S HA -0.072 4.398 4.470 -0.000 0.000 0.221 477 S C 2.282 176.641 174.600 -0.400 0.000 1.031 477 S CA 1.326 59.329 58.200 -0.328 0.000 0.982 477 S CB -0.353 62.648 63.200 -0.331 0.000 0.853 477 S HN 0.053 nan 8.310 nan 0.000 0.458 478 V N 1.272 120.794 119.914 -0.653 0.000 2.548 478 V HA 0.017 4.137 4.120 -0.000 0.000 0.249 478 V C 0.714 176.572 176.094 -0.394 0.000 1.055 478 V CA 1.274 63.181 62.300 -0.655 0.000 1.065 478 V CB -0.453 30.648 31.823 -1.202 0.000 0.681 478 V HN 0.366 nan 8.190 nan 0.000 0.462 479 D N -0.235 119.974 120.400 -0.319 0.000 2.468 479 D HA 0.242 4.882 4.640 -0.000 0.000 0.272 479 D C -1.847 174.438 176.300 -0.025 0.000 1.221 479 D CA -1.877 52.052 54.000 -0.119 0.000 0.860 479 D CB 1.473 42.278 40.800 0.008 0.000 1.190 479 D HN 0.125 nan 8.370 nan 0.000 0.509 480 P HA -0.117 nan 4.420 nan 0.000 0.225 480 P C 1.195 178.510 177.300 0.025 0.000 1.148 480 P CA 0.632 63.716 63.100 -0.026 0.000 0.779 480 P CB 0.055 31.731 31.700 -0.040 0.000 0.780 481 S N -1.421 114.305 115.700 0.043 0.000 2.595 481 S HA -0.007 4.463 4.470 -0.000 0.000 0.235 481 S C 0.813 175.447 174.600 0.057 0.000 0.974 481 S CA -0.011 58.221 58.200 0.053 0.000 0.942 481 S CB -0.569 62.655 63.200 0.040 0.000 0.766 481 S HN 0.122 nan 8.310 nan 0.000 0.536 482 R N 0.624 121.178 120.500 0.091 0.000 2.626 482 R HA 0.487 4.827 4.340 -0.000 0.000 0.274 482 R C -3.300 173.062 176.300 0.104 0.000 1.031 482 R CA -2.013 54.108 56.100 0.035 0.000 0.898 482 R CB 1.620 31.846 30.300 -0.123 0.000 1.222 482 R HN 0.115 nan 8.270 nan 0.000 0.455 483 P HA 0.157 nan 4.420 nan 0.000 0.272 483 P C -0.816 176.593 177.300 0.181 0.000 1.240 483 P CA -0.440 62.725 63.100 0.108 0.000 0.791 483 P CB 0.733 32.474 31.700 0.068 0.000 0.978 484 V N 2.104 122.162 119.914 0.240 0.000 2.555 484 V HA 0.411 4.531 4.120 -0.000 0.000 0.302 484 V C -0.011 176.252 176.094 0.282 0.000 1.038 484 V CA -0.313 62.179 62.300 0.322 0.000 0.887 484 V CB 1.482 33.520 31.823 0.360 0.000 0.991 484 V HN 0.626 nan 8.190 nan 0.000 0.434 485 Q N 3.978 123.920 119.800 0.237 0.000 2.423 485 Q HA 0.815 5.155 4.340 -0.000 0.000 0.278 485 Q C -1.679 174.444 176.000 0.205 0.000 1.097 485 Q CA -0.952 54.946 55.803 0.158 0.000 0.809 485 Q CB 2.887 31.662 28.738 0.062 0.000 1.391 485 Q HN 0.655 nan 8.270 nan 0.000 0.428 486 Y N 0.124 120.400 120.300 -0.040 0.000 2.424 486 Y HA 0.180 4.730 4.550 -0.000 0.000 0.323 486 Y C -0.378 175.430 175.900 -0.152 0.000 1.174 486 Y CA -0.643 57.399 58.100 -0.096 0.000 1.060 486 Y CB 2.166 40.559 38.460 -0.111 0.000 1.314 486 Y HN 0.937 nan 8.280 nan 0.000 0.439 487 E N 3.467 123.196 120.200 -0.784 0.000 2.250 487 E HA 0.127 4.477 4.350 -0.000 0.000 0.192 487 E C 0.740 176.898 176.600 -0.737 0.000 0.986 487 E CA 0.728 56.750 56.400 -0.631 0.000 0.849 487 E CB 0.171 29.578 29.700 -0.489 0.000 0.797 487 E HN 0.925 nan 8.360 nan 0.000 0.482 488 G N 0.328 108.297 108.800 -1.384 0.000 2.460 488 G HA2 0.089 4.049 3.960 -0.000 0.000 0.230 488 G HA3 0.089 4.049 3.960 -0.000 0.000 0.230 488 G C 0.767 175.527 174.900 -0.233 0.000 1.248 488 G CA 0.387 45.049 45.100 -0.731 0.000 0.863 488 G HN 0.361 nan 8.290 nan 0.000 0.549 489 G N -0.069 108.675 108.800 -0.094 0.000 2.395 489 G HA2 0.225 4.185 3.960 -0.000 0.000 0.300 489 G HA3 0.225 4.185 3.960 -0.000 0.000 0.300 489 G C 1.325 176.206 174.900 -0.032 0.000 0.998 489 G CA 1.196 46.296 45.100 0.001 0.000 1.046 489 G HN 2.590 nan 8.290 nan 0.000 0.513 490 G N -1.462 107.311 108.800 -0.045 0.000 2.336 490 G HA2 0.361 4.321 3.960 -0.000 0.000 0.194 490 G HA3 0.361 4.321 3.960 -0.000 0.000 0.194 490 G C 1.137 176.085 174.900 0.080 0.000 0.999 490 G CA 1.340 46.470 45.100 0.050 0.000 0.669 490 G HN 2.351 nan 8.290 nan 0.000 0.482 491 A N 0.030 122.789 122.820 -0.101 0.000 3.413 491 A HA -0.147 4.173 4.320 -0.000 0.000 0.268 491 A C 1.135 178.611 177.584 -0.181 0.000 1.128 491 A CA 2.653 54.577 52.037 -0.189 0.000 1.062 491 A CB -1.872 17.002 19.000 -0.210 0.000 1.121 491 A HN 2.120 nan 8.150 nan 0.000 0.895 492 D N -0.575 119.798 120.400 -0.044 0.000 2.673 492 D HA 0.284 4.924 4.640 -0.000 0.000 0.278 492 D C 0.387 176.657 176.300 -0.050 0.000 1.393 492 D CA 0.870 54.855 54.000 -0.026 0.000 0.805 492 D CB -1.057 39.836 40.800 0.154 0.000 1.110 492 D HN 0.838 nan 8.370 nan 0.000 0.476 493 T N -2.396 112.067 114.554 -0.152 0.000 2.754 493 T HA 0.210 4.560 4.350 -0.000 0.000 0.286 493 T C 1.670 176.231 174.700 -0.231 0.000 0.997 493 T CA 0.438 62.389 62.100 -0.249 0.000 0.982 493 T CB 1.117 69.630 68.868 -0.591 0.000 1.027 493 T HN 0.068 nan 8.240 nan 0.000 0.529 494 T N -1.925 112.495 114.554 -0.223 0.000 3.025 494 T HA 0.064 4.413 4.350 -0.000 0.000 0.270 494 T C 1.806 176.211 174.700 -0.491 0.000 1.126 494 T CA 0.575 62.539 62.100 -0.227 0.000 1.105 494 T CB -0.617 68.200 68.868 -0.085 0.000 0.884 494 T HN 0.841 nan 8.240 nan 0.000 0.522 495 A N 0.267 122.853 122.820 -0.389 0.000 2.278 495 A HA 0.440 4.760 4.320 -0.000 0.000 0.212 495 A C 1.048 178.417 177.584 -0.358 0.000 1.213 495 A CA 0.089 51.885 52.037 -0.401 0.000 0.840 495 A CB -0.041 18.983 19.000 0.040 0.000 0.866 495 A HN 0.469 nan 8.150 nan 0.000 0.489 496 T N -1.803 112.547 114.554 -0.341 0.000 2.933 496 T HA 0.384 4.734 4.350 -0.000 0.000 0.305 496 T C -0.471 174.197 174.700 -0.054 0.000 1.092 496 T CA -0.472 61.568 62.100 -0.100 0.000 1.008 496 T CB 1.417 70.247 68.868 -0.063 0.000 1.102 496 T HN 0.060 nan 8.240 nan 0.000 0.469 497 D N 2.360 122.822 120.400 0.103 0.000 2.271 497 D HA 0.249 4.889 4.640 -0.000 0.000 0.206 497 D C 0.394 176.706 176.300 0.021 0.000 0.967 497 D CA 0.803 54.866 54.000 0.104 0.000 0.867 497 D CB 0.377 41.278 40.800 0.169 0.000 0.960 497 D HN 0.520 nan 8.370 nan 0.000 0.509 498 I N 1.750 122.314 120.570 -0.010 0.000 2.389 498 I HA 0.209 4.379 4.170 -0.000 0.000 0.288 498 I C 0.101 176.133 176.117 -0.143 0.000 0.999 498 I CA -0.737 60.523 61.300 -0.066 0.000 1.129 498 I CB 2.376 40.348 38.000 -0.046 0.000 1.288 498 I HN -0.292 nan 8.210 nan 0.000 0.444 499 I N 6.100 126.546 120.570 -0.207 0.000 2.741 499 I HA -0.050 4.120 4.170 -0.000 0.000 0.288 499 I C 0.364 176.265 176.117 -0.359 0.000 1.192 499 I CA 0.205 61.288 61.300 -0.362 0.000 1.426 499 I CB 0.050 37.738 38.000 -0.520 0.000 1.367 499 I HN 0.741 nan 8.210 nan 0.000 0.563 500 C N 4.616 123.694 119.300 -0.370 0.000 3.327 500 C HA 0.412 4.872 4.460 -0.000 0.000 0.192 500 C C -2.350 172.467 174.990 -0.288 0.000 1.603 500 C CA -2.032 56.821 59.018 -0.276 0.000 1.222 500 C CB -0.862 26.776 27.740 -0.171 0.000 1.981 500 C HN 0.438 nan 8.230 nan 0.000 0.563 501 P HA 0.298 nan 4.420 nan 0.000 0.271 501 P C -0.227 176.976 177.300 -0.161 0.000 1.244 501 P CA 0.393 63.364 63.100 -0.215 0.000 0.793 501 P CB 0.513 32.163 31.700 -0.085 0.000 0.984 502 M N -0.018 119.484 119.600 -0.163 0.000 2.243 502 M HA 0.498 4.978 4.480 -0.000 0.000 0.324 502 M C -1.093 175.065 176.300 -0.236 0.000 1.031 502 M CA -0.711 54.357 55.300 -0.387 0.000 0.949 502 M CB 1.328 33.545 32.600 -0.638 0.000 1.615 502 M HN 0.229 nan 8.290 nan 0.000 0.430 503 Y N -0.414 120.024 120.300 0.230 0.000 3.790 503 Y HA -0.126 4.424 4.550 -0.000 0.000 0.226 503 Y C 0.028 176.093 175.900 0.275 0.000 1.257 503 Y CA 0.391 58.648 58.100 0.262 0.000 1.765 503 Y CB -2.555 36.060 38.460 0.260 0.000 1.552 503 Y HN 0.981 nan 8.280 nan 0.000 0.650 504 A N 0.464 123.514 122.820 0.383 0.000 2.303 504 A HA 0.817 5.137 4.320 -0.000 0.000 0.317 504 A C 0.493 178.312 177.584 0.392 0.000 1.149 504 A CA -0.892 51.369 52.037 0.373 0.000 0.822 504 A CB 0.752 20.010 19.000 0.431 0.000 1.131 504 A HN 0.334 nan 8.150 nan 0.000 0.493 505 R N 1.258 121.916 120.500 0.264 0.000 2.410 505 R HA 0.318 4.658 4.340 -0.000 0.000 0.288 505 R C 1.069 177.392 176.300 0.037 0.000 1.051 505 R CA -0.557 55.635 56.100 0.152 0.000 1.021 505 R CB 1.114 31.461 30.300 0.078 0.000 1.032 505 R HN 0.528 nan 8.270 nan 0.000 0.481 506 V N 1.758 121.565 119.914 -0.179 0.000 2.250 506 V HA -0.314 3.806 4.120 -0.000 0.000 0.250 506 V C 0.974 176.995 176.094 -0.122 0.000 1.060 506 V CA 2.033 64.181 62.300 -0.254 0.000 1.030 506 V CB -0.223 31.334 31.823 -0.444 0.000 0.643 506 V HN 0.841 nan 8.190 nan 0.000 0.445 507 D N -2.057 118.295 120.400 -0.080 0.000 2.514 507 D HA 0.142 4.782 4.640 -0.000 0.000 0.225 507 D C 0.694 176.987 176.300 -0.011 0.000 1.159 507 D CA 0.004 53.980 54.000 -0.041 0.000 0.823 507 D CB 0.928 41.706 40.800 -0.038 0.000 1.097 507 D HN 0.476 nan 8.370 nan 0.000 0.519 508 E N 1.976 122.173 120.200 -0.004 0.000 2.151 508 E HA 0.143 4.493 4.350 -0.000 0.000 0.275 508 E C -0.952 175.645 176.600 -0.006 0.000 0.936 508 E CA -0.572 55.825 56.400 -0.004 0.000 0.777 508 E CB 1.398 31.094 29.700 -0.008 0.000 1.108 508 E HN -0.072 nan 8.360 nan 0.000 0.401 509 D N 3.179 123.570 120.400 -0.015 0.000 2.348 509 D HA 0.153 4.793 4.640 -0.000 0.000 0.249 509 D C -0.312 175.865 176.300 -0.205 0.000 1.110 509 D CA -0.253 53.713 54.000 -0.056 0.000 0.967 509 D CB 1.049 41.885 40.800 0.060 0.000 1.139 509 D HN 0.402 nan 8.370 nan 0.000 0.466 510 Q N 0.372 119.926 119.800 -0.409 0.000 2.674 510 Q HA 0.283 4.623 4.340 -0.000 0.000 0.249 510 Q C -2.422 172.938 176.000 -1.067 0.000 1.011 510 Q CA -1.725 53.615 55.803 -0.772 0.000 0.734 510 Q CB 1.741 29.960 28.738 -0.864 0.000 1.201 510 Q HN 0.027 nan 8.270 nan 0.000 0.498 511 P HA -0.023 nan 4.420 nan 0.000 0.235 511 P C -0.726 176.313 177.300 -0.435 0.000 1.670 511 P CA 0.251 63.019 63.100 -0.552 0.000 1.017 511 P CB -0.572 30.960 31.700 -0.281 0.000 1.945 512 F N 1.941 121.738 119.950 -0.254 0.000 2.435 512 F HA 0.284 4.811 4.527 -0.000 0.000 0.316 512 F C -1.416 174.286 175.800 -0.163 0.000 1.220 512 F CA -2.329 55.568 58.000 -0.171 0.000 1.241 512 F CB -0.962 37.947 39.000 -0.151 0.000 1.234 512 F HN 0.039 nan 8.300 nan 0.000 0.569 513 P HA 0.407 nan 4.420 nan 0.000 0.294 513 P C -0.021 177.295 177.300 0.027 0.000 1.294 513 P CA 0.381 63.505 63.100 0.041 0.000 0.827 513 P CB 1.560 33.280 31.700 0.033 0.000 0.992 514 A N 3.295 126.124 122.820 0.014 0.000 2.617 514 A HA -0.252 4.067 4.320 -0.000 0.000 0.236 514 A C 0.861 178.451 177.584 0.010 0.000 0.514 514 A CA 2.293 54.341 52.037 0.017 0.000 1.126 514 A CB -2.709 16.302 19.000 0.017 0.000 1.393 514 A HN 0.562 nan 8.150 nan 0.000 0.693 515 V N -2.739 117.178 119.914 0.006 0.000 2.804 515 V HA 0.435 4.555 4.120 -0.000 0.000 0.360 515 V C -1.953 174.145 176.094 0.006 0.000 1.282 515 V CA -1.122 61.180 62.300 0.002 0.000 1.274 515 V CB -0.085 31.731 31.823 -0.012 0.000 1.415 515 V HN 0.546 nan 8.190 nan 0.000 0.610 516 P HA 0.056 nan 4.420 nan 0.000 0.267 516 P C -0.552 176.378 177.300 -0.617 0.000 1.195 516 P CA 0.620 63.416 63.100 -0.506 0.000 0.773 516 P CB 0.575 31.570 31.700 -1.175 0.000 0.837 517 K N 2.284 122.339 120.400 -0.575 0.000 2.478 517 K HA 0.290 4.610 4.320 -0.000 0.000 0.236 517 K C -0.534 175.788 176.600 -0.464 0.000 1.021 517 K CA -0.421 55.658 56.287 -0.347 0.000 1.010 517 K CB 0.431 33.015 32.500 0.140 0.000 1.331 517 K HN 0.414 nan 8.250 nan 0.000 0.470 518 W N 1.252 122.229 121.300 -0.538 0.000 2.086 518 W HA 0.127 4.787 4.660 -0.000 0.000 0.355 518 W C 1.178 177.636 176.519 -0.102 0.000 1.313 518 W CA -0.756 56.351 57.345 -0.396 0.000 1.358 518 W CB 0.424 29.508 29.460 -0.626 0.000 1.166 518 W HN 0.390 nan 8.180 nan 0.000 0.630 519 S N 2.921 118.749 115.700 0.215 0.000 2.544 519 S HA -0.071 4.399 4.470 -0.000 0.000 0.290 519 S C 1.135 175.865 174.600 0.218 0.000 1.276 519 S CA -0.354 57.936 58.200 0.151 0.000 1.075 519 S CB -0.085 63.154 63.200 0.063 0.000 0.849 519 S HN 0.570 nan 8.310 nan 0.000 0.494 520 I N 2.199 122.902 120.570 0.221 0.000 2.761 520 I HA -0.140 4.030 4.170 -0.000 0.000 0.266 520 I C 1.761 177.911 176.117 0.054 0.000 1.239 520 I CA 1.295 62.727 61.300 0.220 0.000 1.451 520 I CB -0.226 37.871 38.000 0.162 0.000 1.096 520 I HN 0.602 nan 8.210 nan 0.000 0.465 521 K N 1.282 121.645 120.400 -0.062 0.000 2.211 521 K HA -0.040 4.280 4.320 -0.000 0.000 0.201 521 K C 2.191 178.784 176.600 -0.011 0.000 1.052 521 K CA 0.708 56.862 56.287 -0.221 0.000 0.973 521 K CB 0.015 32.310 32.500 -0.341 0.000 0.766 521 K HN 0.315 nan 8.250 nan 0.000 0.466 522 K N 0.178 120.593 120.400 0.025 0.000 2.155 522 K HA -0.147 4.173 4.320 -0.000 0.000 0.203 522 K C 1.770 178.371 176.600 0.001 0.000 1.052 522 K CA 0.653 56.934 56.287 -0.009 0.000 0.948 522 K CB 0.022 32.484 32.500 -0.063 0.000 0.728 522 K HN 0.180 nan 8.250 nan 0.000 0.448 523 W N 2.062 123.339 121.300 -0.038 0.000 2.317 523 W HA -0.221 4.439 4.660 -0.000 0.000 0.318 523 W C 1.596 178.089 176.519 -0.043 0.000 1.227 523 W CA 1.290 58.625 57.345 -0.017 0.000 1.269 523 W CB -0.752 28.762 29.460 0.090 0.000 1.155 523 W HN 0.060 nan 8.180 nan 0.000 0.484 524 L N 0.904 122.287 121.223 0.268 0.000 2.189 524 L HA -0.238 4.102 4.340 -0.000 0.000 0.214 524 L C 2.127 179.060 176.870 0.104 0.000 1.097 524 L CA 1.876 56.806 54.840 0.150 0.000 0.764 524 L CB -1.169 40.963 42.059 0.122 0.000 0.900 524 L HN 0.048 nan 8.230 nan 0.000 0.436 525 S N -1.282 114.461 115.700 0.071 0.000 2.575 525 S HA 0.277 4.747 4.470 -0.000 0.000 0.237 525 S C 0.451 175.027 174.600 -0.040 0.000 0.975 525 S CA -0.617 57.594 58.200 0.018 0.000 0.960 525 S CB -0.323 62.886 63.200 0.014 0.000 0.822 525 S HN 0.173 nan 8.310 nan 0.000 0.472 526 L N 2.572 123.761 121.223 -0.057 0.000 2.456 526 L HA 0.320 4.660 4.340 -0.000 0.000 0.272 526 L C -2.105 174.728 176.870 -0.062 0.000 1.189 526 L CA -1.924 52.836 54.840 -0.133 0.000 0.846 526 L CB -0.229 41.723 42.059 -0.179 0.000 1.111 526 L HN 0.090 nan 8.230 nan 0.000 0.475 527 P HA -0.006 nan 4.420 nan 0.000 0.262 527 P C 0.826 178.117 177.300 -0.015 0.000 1.182 527 P CA 0.832 63.908 63.100 -0.040 0.000 0.761 527 P CB 0.693 32.365 31.700 -0.046 0.000 0.795 528 G N 1.508 110.306 108.800 -0.003 0.000 2.253 528 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.251 528 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.251 528 G C 0.276 175.188 174.900 0.020 0.000 0.998 528 G CA 0.100 45.205 45.100 0.008 0.000 0.621 528 G HN 0.644 nan 8.290 nan 0.000 0.524 529 E N 1.122 121.339 120.200 0.029 0.000 2.360 529 E HA 0.564 4.914 4.350 -0.000 0.000 0.269 529 E C 1.320 177.938 176.600 0.031 0.000 1.022 529 E CA 0.803 57.230 56.400 0.046 0.000 0.887 529 E CB 0.871 30.622 29.700 0.086 0.000 0.990 529 E HN 0.685 nan 8.360 nan 0.000 0.426 530 T N 0.580 115.147 114.554 0.022 0.000 3.252 530 T HA 0.295 4.645 4.350 -0.000 0.000 0.295 530 T C 0.397 175.099 174.700 0.003 0.000 0.897 530 T CA -0.467 61.642 62.100 0.014 0.000 0.905 530 T CB 0.037 68.912 68.868 0.013 0.000 1.202 530 T HN 0.270 nan 8.240 nan 0.000 0.592 531 R N 2.161 122.657 120.500 -0.007 0.000 2.615 531 R HA 0.507 4.847 4.340 -0.000 0.000 0.270 531 R C -2.629 173.640 176.300 -0.052 0.000 1.081 531 R CA -1.818 54.264 56.100 -0.029 0.000 1.154 531 R CB 0.127 30.398 30.300 -0.049 0.000 1.063 531 R HN 0.239 nan 8.270 nan 0.000 0.519 532 P HA 0.074 nan 4.420 nan 0.000 0.277 532 P C -1.208 176.005 177.300 -0.145 0.000 1.240 532 P CA -0.347 62.697 63.100 -0.093 0.000 0.798 532 P CB 0.623 32.269 31.700 -0.089 0.000 0.979 533 L N 3.776 124.891 121.223 -0.180 0.000 2.349 533 L HA 0.562 4.902 4.340 -0.000 0.000 0.278 533 L C -1.134 175.563 176.870 -0.288 0.000 0.996 533 L CA -0.630 54.061 54.840 -0.248 0.000 0.825 533 L CB 0.115 42.033 42.059 -0.235 0.000 1.243 533 L HN 0.278 nan 8.230 nan 0.000 0.412 534 I N 6.087 126.488 120.570 -0.281 0.000 2.534 534 I HA 0.267 4.437 4.170 -0.000 0.000 0.286 534 I C -0.821 175.163 176.117 -0.223 0.000 1.094 534 I CA -0.732 60.385 61.300 -0.305 0.000 1.055 534 I CB 2.007 39.881 38.000 -0.210 0.000 1.225 534 I HN 0.433 nan 8.210 nan 0.000 0.435 535 L N 5.072 126.123 121.223 -0.286 0.000 2.416 535 L HA 0.133 4.473 4.340 -0.000 0.000 0.272 535 L C 1.468 178.367 176.870 0.050 0.000 1.161 535 L CA -0.356 54.388 54.840 -0.159 0.000 0.845 535 L CB 0.646 42.590 42.059 -0.191 0.000 1.119 535 L HN 0.839 nan 8.230 nan 0.000 0.464 536 C N -0.239 119.066 119.300 0.010 0.000 2.467 536 C HA 0.145 4.605 4.460 -0.000 0.000 0.279 536 C C 0.673 175.763 174.990 0.167 0.000 1.347 536 C CA -0.169 58.904 59.018 0.092 0.000 1.748 536 C CB -0.940 26.762 27.740 -0.063 0.000 1.977 536 C HN 0.841 nan 8.230 nan 0.000 0.501 537 E N -0.295 119.912 120.200 0.012 0.000 2.307 537 E HA 0.521 4.871 4.350 -0.000 0.000 0.280 537 E C -1.477 175.129 176.600 0.010 0.000 0.900 537 E CA -0.319 56.089 56.400 0.013 0.000 0.790 537 E CB 1.877 31.305 29.700 -0.454 0.000 1.261 537 E HN 0.574 nan 8.360 nan 0.000 0.405 538 Y N -0.025 120.383 120.300 0.180 0.000 2.588 538 Y HA 0.692 5.242 4.550 -0.000 0.000 0.343 538 Y C -0.379 175.763 175.900 0.403 0.000 1.065 538 Y CA -1.382 56.873 58.100 0.257 0.000 1.038 538 Y CB 0.865 39.239 38.460 -0.143 0.000 1.297 538 Y HN 0.595 nan 8.280 nan 0.000 0.467 539 A N 2.146 125.054 122.820 0.146 0.000 2.546 539 A HA -0.243 4.077 4.320 -0.000 0.000 0.295 539 A C -0.119 177.562 177.584 0.162 0.000 1.455 539 A CA 0.835 52.900 52.037 0.046 0.000 0.730 539 A CB -2.778 16.085 19.000 -0.230 0.000 1.111 539 A HN 1.155 nan 8.150 nan 0.000 0.411 540 H N 0.514 119.661 119.070 0.129 0.000 3.659 540 H HA 0.147 4.703 4.556 -0.000 0.000 0.209 540 H C 1.409 176.755 175.328 0.031 0.000 0.999 540 H CA 0.875 57.006 56.048 0.139 0.000 1.398 540 H CB -0.083 29.648 29.762 -0.052 0.000 1.608 540 H HN 0.876 nan 8.280 nan 0.000 0.589 541 A N 5.996 128.740 122.820 -0.127 0.000 2.088 541 A HA -0.056 4.264 4.320 -0.000 0.000 0.218 541 A C 1.105 178.545 177.584 -0.241 0.000 1.420 541 A CA -0.043 51.875 52.037 -0.200 0.000 1.371 541 A CB -0.734 18.116 19.000 -0.250 0.000 0.788 541 A HN 0.733 nan 8.150 nan 0.000 0.575 542 M N 1.121 120.605 119.600 -0.193 0.000 2.194 542 M HA 0.421 4.901 4.480 -0.000 0.000 0.347 542 M C 1.084 177.213 176.300 -0.284 0.000 1.439 542 M CA 1.222 56.402 55.300 -0.200 0.000 1.131 542 M CB -0.091 32.489 32.600 -0.034 0.000 1.733 542 M HN 0.801 nan 8.290 nan 0.000 0.467 543 G N 4.378 112.961 108.800 -0.363 0.000 2.566 543 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.280 543 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.280 543 G C -0.159 174.216 174.900 -0.874 0.000 1.225 543 G CA -0.242 44.486 45.100 -0.622 0.000 0.966 543 G HN 0.798 nan 8.290 nan 0.000 0.560 544 N N 1.421 119.533 118.700 -0.980 0.000 2.402 544 N HA 0.493 5.233 4.740 -0.000 0.000 0.259 544 N C -0.099 175.149 175.510 -0.436 0.000 1.167 544 N CA 1.043 53.655 53.050 -0.731 0.000 0.949 544 N CB 0.678 38.802 38.487 -0.604 0.000 1.212 544 N HN 0.676 nan 8.380 nan 0.000 0.493 545 S N 1.814 117.330 115.700 -0.307 0.000 2.903 545 S HA 0.600 5.070 4.470 -0.000 0.000 0.314 545 S C -0.175 174.325 174.600 -0.167 0.000 1.177 545 S CA -0.430 57.638 58.200 -0.220 0.000 0.859 545 S CB 0.436 63.529 63.200 -0.178 0.000 1.265 545 S HN 0.487 nan 8.310 nan 0.000 0.584 546 L N 0.261 121.413 121.223 -0.118 0.000 4.021 546 L HA -0.057 4.283 4.340 -0.000 0.000 0.400 546 L C 0.253 177.113 176.870 -0.017 0.000 1.180 546 L CA 0.627 55.411 54.840 -0.092 0.000 0.904 546 L CB -1.477 40.436 42.059 -0.244 0.000 2.111 546 L HN 0.653 nan 8.230 nan 0.000 0.722 547 G N -0.605 108.171 108.800 -0.039 0.000 2.391 547 G HA2 0.528 4.488 3.960 -0.000 0.000 0.305 547 G HA3 0.528 4.488 3.960 -0.000 0.000 0.305 547 G C 1.085 175.987 174.900 0.004 0.000 1.072 547 G CA 0.345 45.400 45.100 -0.076 0.000 1.016 547 G HN 1.146 nan 8.290 nan 0.000 0.418 548 G N 1.977 110.805 108.800 0.047 0.000 2.192 548 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.193 548 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.193 548 G C 0.943 176.004 174.900 0.268 0.000 0.999 548 G CA 0.368 45.537 45.100 0.116 0.000 0.659 548 G HN 0.636 nan 8.290 nan 0.000 0.503 549 F N 2.065 122.099 119.950 0.140 0.000 2.192 549 F HA 0.078 4.605 4.527 -0.000 0.000 0.301 549 F C 2.604 178.559 175.800 0.259 0.000 1.079 549 F CA 2.578 60.723 58.000 0.241 0.000 1.303 549 F CB -0.190 38.887 39.000 0.129 0.000 1.024 549 F HN 0.347 nan 8.300 nan 0.000 0.494 550 A N -0.603 122.380 122.820 0.271 0.000 2.015 550 A HA -0.185 4.135 4.320 -0.000 0.000 0.219 550 A C 2.283 179.902 177.584 0.058 0.000 1.163 550 A CA 1.420 53.552 52.037 0.158 0.000 0.646 550 A CB -0.669 18.431 19.000 0.166 0.000 0.806 550 A HN 0.397 nan 8.150 nan 0.000 0.448 551 K N -1.406 119.013 120.400 0.032 0.000 2.044 551 K HA -0.214 4.106 4.320 -0.000 0.000 0.210 551 K C 1.728 178.160 176.600 -0.281 0.000 1.049 551 K CA 2.000 58.229 56.287 -0.097 0.000 0.927 551 K CB -0.337 32.092 32.500 -0.119 0.000 0.713 551 K HN 0.596 nan 8.250 nan 0.000 0.443 552 Y N -0.594 119.504 120.300 -0.336 0.000 2.060 552 Y HA -0.268 4.282 4.550 -0.000 0.000 0.276 552 Y C 2.146 177.319 175.900 -1.212 0.000 1.127 552 Y CA 1.798 59.412 58.100 -0.809 0.000 1.104 552 Y CB -0.790 37.105 38.460 -0.941 0.000 0.983 552 Y HN 0.181 nan 8.280 nan 0.000 0.483 553 W N 0.410 121.206 121.300 -0.840 0.000 2.313 553 W HA -0.261 4.399 4.660 -0.000 0.000 0.293 553 W C 2.572 178.938 176.519 -0.254 0.000 1.216 553 W CA 1.831 58.836 57.345 -0.567 0.000 1.223 553 W CB -0.703 28.524 29.460 -0.387 0.000 1.138 553 W HN 0.197 nan 8.180 nan 0.000 0.535 554 Q N -0.126 119.629 119.800 -0.075 0.000 2.046 554 Q HA -0.170 4.170 4.340 -0.000 0.000 0.200 554 Q C 2.363 178.368 176.000 0.009 0.000 0.975 554 Q CA 1.806 57.610 55.803 0.002 0.000 0.836 554 Q CB -0.427 28.314 28.738 0.005 0.000 0.896 554 Q HN 0.291 nan 8.270 nan 0.000 0.428 555 A N 0.713 123.484 122.820 -0.082 0.000 1.845 555 A HA -0.184 4.136 4.320 -0.000 0.000 0.215 555 A C 1.763 179.421 177.584 0.123 0.000 1.195 555 A CA 1.366 53.384 52.037 -0.031 0.000 0.616 555 A CB -0.970 17.912 19.000 -0.196 0.000 0.832 555 A HN 0.386 nan 8.150 nan 0.000 0.443 556 F N 0.399 120.233 119.950 -0.193 0.000 2.154 556 F HA -0.182 4.345 4.527 -0.000 0.000 0.301 556 F C 2.530 178.264 175.800 -0.110 0.000 1.087 556 F CA 1.425 59.266 58.000 -0.266 0.000 1.274 556 F CB -0.893 37.729 39.000 -0.630 0.000 1.009 556 F HN 0.263 nan 8.300 nan 0.000 0.485 557 R N -0.440 120.157 120.500 0.161 0.000 2.153 557 R HA -0.087 4.253 4.340 -0.000 0.000 0.218 557 R C 2.062 178.425 176.300 0.106 0.000 1.072 557 R CA 0.753 56.927 56.100 0.123 0.000 0.990 557 R CB -0.450 29.918 30.300 0.113 0.000 0.889 557 R HN 0.367 nan 8.270 nan 0.000 0.452 558 Q N 0.181 120.076 119.800 0.159 0.000 2.049 558 Q HA -0.061 4.279 4.340 -0.000 0.000 0.198 558 Q C -0.314 175.725 176.000 0.065 0.000 0.971 558 Q CA 1.036 56.917 55.803 0.130 0.000 0.833 558 Q CB 0.258 29.108 28.738 0.188 0.000 0.896 558 Q HN 0.185 nan 8.270 nan 0.000 0.434 559 Y N 0.858 121.159 120.300 0.001 0.000 2.452 559 Y HA 0.156 4.706 4.550 -0.000 0.000 0.348 559 Y C -1.641 174.238 175.900 -0.035 0.000 0.985 559 Y CA -2.676 55.417 58.100 -0.012 0.000 1.214 559 Y CB 0.734 39.191 38.460 -0.004 0.000 1.136 559 Y HN 0.242 nan 8.280 nan 0.000 0.523 560 P HA -0.201 nan 4.420 nan 0.000 0.216 560 P C 1.182 178.481 177.300 -0.001 0.000 1.150 560 P CA 1.623 64.723 63.100 0.001 0.000 0.843 560 P CB 0.336 32.021 31.700 -0.025 0.000 0.787 561 R N -1.102 119.419 120.500 0.035 0.000 2.310 561 R HA 0.164 4.504 4.340 -0.000 0.000 0.202 561 R C 0.458 176.725 176.300 -0.054 0.000 0.933 561 R CA -0.012 56.085 56.100 -0.004 0.000 1.054 561 R CB -0.291 30.017 30.300 0.014 0.000 0.985 561 R HN 0.272 nan 8.270 nan 0.000 0.489 562 L N 1.767 122.960 121.223 -0.049 0.000 2.268 562 L HA 0.174 4.514 4.340 -0.000 0.000 0.289 562 L C 0.578 177.220 176.870 -0.380 0.000 1.064 562 L CA 0.077 54.801 54.840 -0.192 0.000 0.824 562 L CB 1.364 43.375 42.059 -0.081 0.000 1.202 562 L HN -0.007 nan 8.230 nan 0.000 0.433 563 Q N 2.764 122.280 119.800 -0.473 0.000 2.201 563 Q HA 0.354 4.694 4.340 -0.000 0.000 0.217 563 Q C 0.749 176.300 176.000 -0.748 0.000 0.860 563 Q CA 0.039 55.547 55.803 -0.492 0.000 0.984 563 Q CB 1.040 29.603 28.738 -0.291 0.000 1.095 563 Q HN 0.940 nan 8.270 nan 0.000 0.477 564 G N -0.672 107.297 108.800 -1.385 0.000 2.297 564 G HA2 0.237 4.197 3.960 -0.000 0.000 0.209 564 G HA3 0.237 4.197 3.960 -0.000 0.000 0.209 564 G C -0.527 173.574 174.900 -1.331 0.000 1.267 564 G CA -0.704 43.435 45.100 -1.602 0.000 1.127 564 G HN 0.497 nan 8.290 nan 0.000 0.498 565 G N -2.074 106.224 108.800 -0.837 0.000 2.349 565 G HA2 0.655 4.615 3.960 -0.000 0.000 0.294 565 G HA3 0.655 4.615 3.960 -0.000 0.000 0.294 565 G C -2.006 172.685 174.900 -0.348 0.000 1.380 565 G CA -0.390 44.351 45.100 -0.599 0.000 0.811 565 G HN 1.115 nan 8.290 nan 0.000 0.519 566 F N 0.310 120.448 119.950 0.314 0.000 2.477 566 F HA 0.556 5.083 4.527 -0.000 0.000 0.335 566 F C 0.535 176.702 175.800 0.612 0.000 1.130 566 F CA -0.784 57.475 58.000 0.432 0.000 0.948 566 F CB 2.341 41.502 39.000 0.269 0.000 1.154 566 F HN 0.271 nan 8.300 nan 0.000 0.439 567 V N 3.254 123.573 119.914 0.675 0.000 2.775 567 V HA 0.022 4.142 4.120 -0.000 0.000 0.299 567 V C -0.477 175.877 176.094 0.434 0.000 1.062 567 V CA -0.531 62.018 62.300 0.416 0.000 1.063 567 V CB 1.291 33.284 31.823 0.283 0.000 0.994 567 V HN 0.771 nan 8.190 nan 0.000 0.483 568 W N 6.171 127.601 121.300 0.217 0.000 2.318 568 W HA 0.458 5.118 4.660 -0.000 0.000 0.315 568 W C -0.875 175.639 176.519 -0.008 0.000 1.033 568 W CA -0.682 56.778 57.345 0.191 0.000 1.275 568 W CB 1.495 31.193 29.460 0.397 0.000 1.250 568 W HN 0.962 nan 8.180 nan 0.000 0.421 569 D N 2.624 122.743 120.400 -0.468 0.000 3.096 569 D HA 0.212 4.852 4.640 -0.000 0.000 0.277 569 D C 0.768 176.890 176.300 -0.297 0.000 1.256 569 D CA -0.410 53.265 54.000 -0.541 0.000 1.044 569 D CB 0.358 40.417 40.800 -1.235 0.000 1.318 569 D HN 0.298 nan 8.370 nan 0.000 0.622 570 W N 0.671 121.692 121.300 -0.466 0.000 2.560 570 W HA 0.227 4.887 4.660 -0.000 0.000 0.303 570 W C 0.042 176.332 176.519 -0.383 0.000 1.151 570 W CA 1.246 58.358 57.345 -0.388 0.000 1.426 570 W CB 0.270 29.533 29.460 -0.329 0.000 1.135 570 W HN 0.280 nan 8.180 nan 0.000 0.522 571 V N -0.420 119.196 119.914 -0.496 0.000 3.204 571 V HA 0.487 4.607 4.120 -0.000 0.000 0.316 571 V C -0.815 175.006 176.094 -0.454 0.000 1.160 571 V CA -0.937 61.044 62.300 -0.532 0.000 1.044 571 V CB 1.182 32.825 31.823 -0.299 0.000 1.136 571 V HN -0.157 nan 8.190 nan 0.000 0.455 572 D N 0.928 121.086 120.400 -0.404 0.000 2.177 572 D HA 0.307 4.947 4.640 -0.000 0.000 0.247 572 D C -0.330 175.673 176.300 -0.494 0.000 1.063 572 D CA 0.031 53.818 54.000 -0.354 0.000 0.867 572 D CB 1.745 42.434 40.800 -0.185 0.000 1.168 572 D HN 0.620 nan 8.370 nan 0.000 0.445 573 Q N 1.311 120.849 119.800 -0.436 0.000 2.844 573 Q HA 0.207 4.547 4.340 -0.000 0.000 0.235 573 Q C -0.517 175.459 176.000 -0.040 0.000 1.336 573 Q CA -0.204 55.289 55.803 -0.516 0.000 1.026 573 Q CB 0.182 28.785 28.738 -0.225 0.000 1.513 573 Q HN 0.349 nan 8.270 nan 0.000 0.577 574 S N 1.103 116.758 115.700 -0.076 0.000 2.548 574 S HA 0.737 5.207 4.470 -0.000 0.000 0.286 574 S C -0.597 174.123 174.600 0.200 0.000 1.098 574 S CA -0.879 57.437 58.200 0.194 0.000 0.930 574 S CB 1.617 64.900 63.200 0.140 0.000 1.070 574 S HN 0.330 nan 8.310 nan 0.000 0.480 575 L N 1.852 123.119 121.223 0.072 0.000 2.333 575 L HA 0.620 4.960 4.340 -0.000 0.000 0.269 575 L C -0.415 176.327 176.870 -0.213 0.000 1.010 575 L CA -1.081 53.702 54.840 -0.094 0.000 0.818 575 L CB 1.472 43.391 42.059 -0.234 0.000 1.306 575 L HN 0.646 nan 8.230 nan 0.000 0.430 576 I N 1.581 121.989 120.570 -0.270 0.000 2.638 576 I HA 0.188 4.358 4.170 -0.000 0.000 0.286 576 I C 0.084 175.789 176.117 -0.686 0.000 1.088 576 I CA 0.359 61.377 61.300 -0.470 0.000 1.397 576 I CB 0.763 38.530 38.000 -0.389 0.000 1.414 576 I HN 0.548 nan 8.210 nan 0.000 0.566 577 K N 4.053 123.723 120.400 -1.218 0.000 2.409 577 K HA 0.581 4.901 4.320 -0.000 0.000 0.252 577 K C -1.756 174.020 176.600 -1.372 0.000 1.036 577 K CA -0.778 54.676 56.287 -1.388 0.000 0.871 577 K CB 2.087 33.399 32.500 -1.980 0.000 1.374 577 K HN 0.240 nan 8.250 nan 0.000 0.459 578 Y N 0.381 120.560 120.300 -0.203 0.000 2.485 578 Y HA 0.226 4.776 4.550 -0.000 0.000 0.345 578 Y C -0.234 175.945 175.900 0.465 0.000 0.998 578 Y CA -1.094 57.115 58.100 0.182 0.000 1.059 578 Y CB 1.419 39.918 38.460 0.065 0.000 1.234 578 Y HN 0.639 nan 8.280 nan 0.000 0.461 579 D N -0.619 120.071 120.400 0.483 0.000 2.385 579 D HA 0.227 4.867 4.640 -0.000 0.000 0.254 579 D C 0.485 176.889 176.300 0.174 0.000 1.053 579 D CA -0.654 53.498 54.000 0.254 0.000 0.992 579 D CB 0.946 41.784 40.800 0.064 0.000 1.145 579 D HN 0.416 nan 8.370 nan 0.000 0.523 580 E N -0.649 119.604 120.200 0.088 0.000 2.209 580 E HA -0.149 4.201 4.350 -0.000 0.000 0.196 580 E C 0.622 177.254 176.600 0.053 0.000 0.993 580 E CA 1.109 57.544 56.400 0.058 0.000 0.819 580 E CB -0.415 29.298 29.700 0.022 0.000 0.745 580 E HN 0.525 nan 8.360 nan 0.000 0.477 581 N N -0.922 117.811 118.700 0.056 0.000 2.449 581 N HA 0.141 4.881 4.740 -0.000 0.000 0.191 581 N C 0.715 176.273 175.510 0.080 0.000 1.161 581 N CA 0.611 53.691 53.050 0.049 0.000 0.863 581 N CB 0.716 39.222 38.487 0.032 0.000 0.980 581 N HN 0.181 nan 8.380 nan 0.000 0.458 582 G N 0.147 109.018 108.800 0.119 0.000 2.153 582 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.252 582 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.252 582 G C -0.420 174.655 174.900 0.291 0.000 0.994 582 G CA -0.333 44.866 45.100 0.166 0.000 0.698 582 G HN 0.360 nan 8.290 nan 0.000 0.521 583 N N 1.351 120.209 118.700 0.264 0.000 2.479 583 N HA 0.394 5.134 4.740 -0.000 0.000 0.285 583 N C -2.587 173.098 175.510 0.292 0.000 1.075 583 N CA -1.162 52.045 53.050 0.262 0.000 0.967 583 N CB 1.723 40.303 38.487 0.155 0.000 1.137 583 N HN 0.090 nan 8.380 nan 0.000 0.472 584 P HA 0.200 nan 4.420 nan 0.000 0.275 584 P C -0.636 176.646 177.300 -0.031 0.000 1.228 584 P CA -0.025 62.870 63.100 -0.343 0.000 0.786 584 P CB 0.433 31.984 31.700 -0.249 0.000 0.927 585 W N -0.755 120.262 121.300 -0.473 0.000 3.571 585 W HA 0.296 4.956 4.660 -0.000 0.000 0.294 585 W C -1.510 174.782 176.519 -0.379 0.000 1.257 585 W CA -0.853 56.237 57.345 -0.425 0.000 1.206 585 W CB 0.008 29.068 29.460 -0.666 0.000 1.325 585 W HN 0.085 nan 8.180 nan 0.000 0.546 586 S N 1.900 117.546 115.700 -0.090 0.000 2.498 586 S HA 0.492 4.962 4.470 -0.000 0.000 0.281 586 S C 0.316 174.918 174.600 0.003 0.000 1.265 586 S CA 0.172 58.331 58.200 -0.070 0.000 1.071 586 S CB 0.392 63.635 63.200 0.071 0.000 0.894 586 S HN 0.612 nan 8.310 nan 0.000 0.491 587 A N 3.413 126.117 122.820 -0.194 0.000 2.320 587 A HA 0.841 5.161 4.320 -0.000 0.000 0.334 587 A C -0.527 177.190 177.584 0.222 0.000 1.147 587 A CA -0.774 51.180 52.037 -0.139 0.000 0.820 587 A CB 0.637 19.265 19.000 -0.620 0.000 1.218 587 A HN 0.832 nan 8.150 nan 0.000 0.482 588 Y N -0.179 120.325 120.300 0.340 0.000 3.123 588 Y HA 0.790 5.340 4.550 -0.000 0.000 0.305 588 Y C 0.795 176.960 175.900 0.442 0.000 1.560 588 Y CA -1.278 57.029 58.100 0.344 0.000 1.048 588 Y CB -0.227 38.290 38.460 0.094 0.000 1.380 588 Y HN 0.859 nan 8.280 nan 0.000 0.618 589 G N -0.460 108.632 108.800 0.488 0.000 2.391 589 G HA2 0.350 4.310 3.960 -0.000 0.000 0.234 589 G HA3 0.350 4.310 3.960 -0.000 0.000 0.234 589 G C 0.978 176.124 174.900 0.411 0.000 1.284 589 G CA 0.390 45.696 45.100 0.343 0.000 0.873 589 G HN 1.929 nan 8.290 nan 0.000 0.549 590 G N 1.887 110.918 108.800 0.384 0.000 2.284 590 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.247 590 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.247 590 G C 0.979 176.017 174.900 0.229 0.000 1.012 590 G CA 0.822 46.096 45.100 0.290 0.000 0.618 590 G HN 0.656 nan 8.290 nan 0.000 0.521 591 D N -0.019 120.490 120.400 0.180 0.000 2.351 591 D HA 0.071 4.711 4.640 -0.000 0.000 0.216 591 D C 1.561 177.656 176.300 -0.343 0.000 0.968 591 D CA 0.756 54.687 54.000 -0.116 0.000 0.899 591 D CB -0.253 40.380 40.800 -0.277 0.000 0.907 591 D HN 0.527 nan 8.370 nan 0.000 0.514 592 F N -1.241 118.808 119.950 0.165 0.000 2.682 592 F HA 0.331 4.858 4.527 -0.000 0.000 0.308 592 F C 1.928 177.807 175.800 0.131 0.000 1.093 592 F CA 0.053 58.121 58.000 0.114 0.000 1.244 592 F CB 0.896 39.958 39.000 0.103 0.000 1.052 592 F HN 0.001 nan 8.300 nan 0.000 0.573 593 G N 0.547 109.511 108.800 0.272 0.000 2.234 593 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.235 593 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.235 593 G C -0.150 174.889 174.900 0.231 0.000 0.997 593 G CA -0.097 45.128 45.100 0.209 0.000 0.623 593 G HN 0.495 nan 8.290 nan 0.000 0.514 594 D N 1.169 121.759 120.400 0.317 0.000 2.554 594 D HA 0.408 5.048 4.640 -0.000 0.000 0.251 594 D C 0.162 176.594 176.300 0.220 0.000 1.213 594 D CA 0.997 55.177 54.000 0.300 0.000 0.900 594 D CB 0.397 41.453 40.800 0.428 0.000 1.135 594 D HN 0.159 nan 8.370 nan 0.000 0.522 595 T N 2.717 117.371 114.554 0.167 0.000 2.921 595 T HA 0.480 4.830 4.350 -0.000 0.000 0.297 595 T C -2.262 172.489 174.700 0.084 0.000 1.013 595 T CA -1.196 60.974 62.100 0.117 0.000 0.990 595 T CB 1.594 70.526 68.868 0.107 0.000 1.023 595 T HN 0.371 nan 8.240 nan 0.000 0.447 596 P HA 0.499 nan 4.420 nan 0.000 0.276 596 P C -0.969 176.344 177.300 0.022 0.000 1.252 596 P CA -0.635 62.483 63.100 0.029 0.000 0.802 596 P CB 0.693 32.386 31.700 -0.012 0.000 1.035 597 N N -0.802 117.918 118.700 0.033 0.000 2.732 597 N HA 0.168 4.908 4.740 -0.000 0.000 0.259 597 N C -1.418 174.138 175.510 0.078 0.000 1.402 597 N CA -0.534 52.545 53.050 0.049 0.000 0.829 597 N CB 1.372 39.960 38.487 0.170 0.000 1.495 597 N HN 0.185 nan 8.380 nan 0.000 0.511 598 D N 0.337 120.853 120.400 0.193 0.000 2.957 598 D HA 0.191 4.831 4.640 -0.000 0.000 0.352 598 D C 0.498 177.050 176.300 0.420 0.000 1.352 598 D CA -0.210 53.952 54.000 0.269 0.000 0.831 598 D CB 0.857 41.728 40.800 0.118 0.000 1.147 598 D HN 0.609 nan 8.370 nan 0.000 0.467 599 R N 0.055 120.743 120.500 0.313 0.000 3.559 599 R HA -0.370 3.970 4.340 -0.000 0.000 0.569 599 R C 1.101 177.376 176.300 -0.042 0.000 0.241 599 R CA 1.372 57.614 56.100 0.236 0.000 1.762 599 R CB -1.263 29.098 30.300 0.102 0.000 0.881 599 R HN 0.100 nan 8.270 nan 0.000 0.615 600 Q N 0.254 119.771 119.800 -0.473 0.000 2.226 600 Q HA -0.003 4.337 4.340 -0.000 0.000 0.204 600 Q C 1.995 177.706 176.000 -0.481 0.000 0.975 600 Q CA 1.860 57.205 55.803 -0.764 0.000 0.866 600 Q CB -0.255 27.849 28.738 -1.056 0.000 0.915 600 Q HN 0.421 nan 8.270 nan 0.000 0.440 601 F N 0.897 120.702 119.950 -0.242 0.000 2.214 601 F HA -0.297 4.229 4.527 -0.000 0.000 0.302 601 F C 2.091 177.828 175.800 -0.104 0.000 1.063 601 F CA 1.187 59.154 58.000 -0.054 0.000 1.319 601 F CB -0.693 38.363 39.000 0.093 0.000 1.046 601 F HN 0.353 nan 8.300 nan 0.000 0.505 602 C N -1.157 117.879 119.300 -0.440 0.000 2.525 602 C HA 0.209 4.669 4.460 -0.000 0.000 0.279 602 C C 0.923 175.731 174.990 -0.302 0.000 1.437 602 C CA -0.493 58.155 59.018 -0.616 0.000 1.704 602 C CB -2.033 24.783 27.740 -1.539 0.000 1.672 602 C HN 0.271 nan 8.230 nan 0.000 0.582 603 M N 2.878 122.332 119.600 -0.243 0.000 2.043 603 M HA 0.353 4.833 4.480 -0.000 0.000 0.322 603 M C -0.410 175.755 176.300 -0.226 0.000 0.962 603 M CA 0.155 55.318 55.300 -0.229 0.000 0.927 603 M CB 0.772 33.246 32.600 -0.210 0.000 1.466 603 M HN 0.235 nan 8.290 nan 0.000 0.412 604 N N 1.734 120.271 118.700 -0.272 0.000 2.217 604 N HA 0.155 4.895 4.740 -0.000 0.000 0.239 604 N C 0.167 175.418 175.510 -0.433 0.000 1.330 604 N CA -0.141 52.709 53.050 -0.333 0.000 0.838 604 N CB 1.211 39.486 38.487 -0.354 0.000 1.287 604 N HN 0.712 nan 8.380 nan 0.000 0.498 605 G N 0.064 108.567 108.800 -0.495 0.000 2.599 605 G HA2 0.412 4.372 3.960 -0.000 0.000 0.264 605 G HA3 0.412 4.372 3.960 -0.000 0.000 0.264 605 G C 0.822 175.188 174.900 -0.890 0.000 1.200 605 G CA -0.433 44.262 45.100 -0.675 0.000 0.896 605 G HN 0.135 nan 8.290 nan 0.000 0.536 606 L N -0.286 120.417 121.223 -0.867 0.000 2.567 606 L HA 0.199 4.539 4.340 -0.000 0.000 0.225 606 L C 0.569 176.796 176.870 -1.073 0.000 1.119 606 L CA 0.122 54.489 54.840 -0.790 0.000 0.871 606 L CB 0.081 41.834 42.059 -0.511 0.000 1.036 606 L HN 0.397 nan 8.230 nan 0.000 0.459 607 V N -5.493 113.662 119.914 -1.266 0.000 3.130 607 V HA 0.517 4.637 4.120 -0.000 0.000 0.310 607 V C -0.721 174.898 176.094 -0.791 0.000 1.158 607 V CA -1.103 60.609 62.300 -0.980 0.000 1.029 607 V CB 1.933 33.276 31.823 -0.800 0.000 1.057 607 V HN -0.169 nan 8.190 nan 0.000 0.436 608 F N 1.324 121.134 119.950 -0.233 0.000 2.375 608 F HA 0.699 5.225 4.527 -0.000 0.000 0.333 608 F C 1.727 177.424 175.800 -0.172 0.000 1.104 608 F CA 0.275 58.224 58.000 -0.084 0.000 1.149 608 F CB 1.675 40.666 39.000 -0.015 0.000 1.190 608 F HN 0.827 nan 8.300 nan 0.000 0.533 609 A N 1.252 124.100 122.820 0.046 0.000 2.159 609 A HA -0.264 4.056 4.320 -0.000 0.000 0.222 609 A C 1.417 178.970 177.584 -0.053 0.000 1.163 609 A CA 2.129 54.150 52.037 -0.027 0.000 0.664 609 A CB -1.148 17.858 19.000 0.009 0.000 0.803 609 A HN 0.825 nan 8.150 nan 0.000 0.470 610 D N -3.689 116.700 120.400 -0.018 0.000 2.349 610 D HA 0.279 4.919 4.640 -0.000 0.000 0.214 610 D C 0.618 176.908 176.300 -0.017 0.000 1.063 610 D CA -0.205 53.764 54.000 -0.052 0.000 0.847 610 D CB 0.094 40.861 40.800 -0.054 0.000 0.933 610 D HN 0.156 nan 8.370 nan 0.000 0.513 611 R N -0.792 119.698 120.500 -0.017 0.000 3.774 611 R HA -0.112 4.228 4.340 -0.000 0.000 0.320 611 R C -0.672 175.632 176.300 0.005 0.000 1.175 611 R CA 1.107 57.192 56.100 -0.025 0.000 0.849 611 R CB -3.286 27.036 30.300 0.037 0.000 1.365 611 R HN 0.520 nan 8.270 nan 0.000 0.502 612 T N -1.574 113.026 114.554 0.077 0.000 2.743 612 T HA 0.647 4.997 4.350 -0.000 0.000 0.292 612 T C -2.304 172.541 174.700 0.242 0.000 0.972 612 T CA -2.226 59.958 62.100 0.140 0.000 0.967 612 T CB 2.125 71.051 68.868 0.096 0.000 0.926 612 T HN -0.160 nan 8.240 nan 0.000 0.459 613 P HA 0.143 nan 4.420 nan 0.000 0.267 613 P C -0.217 177.171 177.300 0.148 0.000 1.200 613 P CA -0.075 63.032 63.100 0.013 0.000 0.772 613 P CB 0.361 32.062 31.700 0.003 0.000 0.855 614 H N 3.072 121.980 119.070 -0.270 0.000 2.505 614 H HA 0.215 4.771 4.556 -0.000 0.000 0.358 614 H C -1.242 174.000 175.328 -0.143 0.000 1.304 614 H CA -1.906 53.984 56.048 -0.263 0.000 1.393 614 H CB -0.781 28.786 29.762 -0.326 0.000 1.591 614 H HN 0.284 nan 8.280 nan 0.000 0.595 615 P HA -0.005 nan 4.420 nan 0.000 0.222 615 P C 1.009 178.296 177.300 -0.021 0.000 1.153 615 P CA 1.513 64.601 63.100 -0.020 0.000 0.798 615 P CB 0.030 31.707 31.700 -0.038 0.000 0.796 616 A N 0.294 123.102 122.820 -0.021 0.000 1.986 616 A HA -0.206 4.114 4.320 -0.000 0.000 0.220 616 A C 2.099 179.604 177.584 -0.133 0.000 1.171 616 A CA 1.483 53.459 52.037 -0.102 0.000 0.640 616 A CB -1.717 17.192 19.000 -0.152 0.000 0.811 616 A HN 0.170 nan 8.150 nan 0.000 0.451 617 L N -0.122 121.044 121.223 -0.096 0.000 2.137 617 L HA -0.179 4.161 4.340 -0.000 0.000 0.213 617 L C 2.386 179.256 176.870 0.000 0.000 1.085 617 L CA 2.746 57.558 54.840 -0.047 0.000 0.760 617 L CB -0.916 41.121 42.059 -0.035 0.000 0.893 617 L HN 0.385 nan 8.230 nan 0.000 0.434 618 T N -1.193 113.367 114.554 0.011 0.000 2.821 618 T HA -0.171 4.179 4.350 -0.000 0.000 0.267 618 T C 1.700 176.456 174.700 0.095 0.000 1.046 618 T CA 1.338 63.488 62.100 0.082 0.000 1.139 618 T CB -0.106 68.794 68.868 0.054 0.000 0.871 618 T HN 0.376 nan 8.240 nan 0.000 0.454 619 E N 1.578 121.778 120.200 -0.001 0.000 2.047 619 E HA -0.001 4.349 4.350 -0.000 0.000 0.191 619 E C 2.265 178.832 176.600 -0.055 0.000 0.987 619 E CA 1.318 57.718 56.400 -0.000 0.000 0.799 619 E CB -0.559 29.109 29.700 -0.052 0.000 0.752 619 E HN 0.400 nan 8.360 nan 0.000 0.449 620 A N 1.075 123.733 122.820 -0.270 0.000 1.883 620 A HA -0.264 4.056 4.320 -0.000 0.000 0.217 620 A C 2.195 179.647 177.584 -0.221 0.000 1.186 620 A CA 2.120 53.987 52.037 -0.285 0.000 0.624 620 A CB -0.715 18.097 19.000 -0.314 0.000 0.822 620 A HN 0.289 nan 8.150 nan 0.000 0.444 621 K N -1.190 119.128 120.400 -0.136 0.000 2.103 621 K HA -0.261 4.059 4.320 -0.000 0.000 0.207 621 K C 2.092 178.542 176.600 -0.251 0.000 1.048 621 K CA 1.802 58.006 56.287 -0.138 0.000 0.930 621 K CB -0.376 32.180 32.500 0.092 0.000 0.716 621 K HN 0.783 nan 8.250 nan 0.000 0.444 622 H N -0.218 118.669 119.070 -0.305 0.000 2.307 622 H HA -0.051 4.505 4.556 -0.000 0.000 0.303 622 H C 1.802 176.847 175.328 -0.471 0.000 1.073 622 H CA 1.357 57.081 56.048 -0.539 0.000 1.338 622 H CB 0.366 29.896 29.762 -0.387 0.000 1.389 622 H HN 0.294 nan 8.280 nan 0.000 0.503 623 Q N 0.573 120.075 119.800 -0.498 0.000 2.224 623 Q HA -0.099 4.241 4.340 -0.000 0.000 0.203 623 Q C 1.637 177.045 176.000 -0.988 0.000 0.970 623 Q CA 0.882 56.294 55.803 -0.652 0.000 0.865 623 Q CB -0.111 28.401 28.738 -0.377 0.000 0.922 623 Q HN 0.671 nan 8.270 nan 0.000 0.445 624 Q N 1.417 120.598 119.800 -1.031 0.000 2.329 624 Q HA 0.003 4.343 4.340 -0.000 0.000 0.208 624 Q C -0.001 175.355 176.000 -1.073 0.000 0.934 624 Q CA -0.173 54.886 55.803 -1.240 0.000 0.951 624 Q CB 0.064 28.169 28.738 -1.055 0.000 1.017 624 Q HN 0.427 nan 8.270 nan 0.000 0.490 625 Q N -1.041 118.243 119.800 -0.860 0.000 2.394 625 Q HA 0.088 4.428 4.340 -0.000 0.000 0.248 625 Q C -0.152 175.353 176.000 -0.824 0.000 0.992 625 Q CA -0.216 55.140 55.803 -0.745 0.000 0.888 625 Q CB 0.450 28.931 28.738 -0.428 0.000 1.257 625 Q HN 0.100 nan 8.270 nan 0.000 0.462 626 F N -0.315 119.389 119.950 -0.410 0.000 2.456 626 F HA 0.189 4.716 4.527 -0.000 0.000 0.298 626 F C 0.181 175.504 175.800 -0.796 0.000 1.104 626 F CA 0.205 57.762 58.000 -0.737 0.000 1.435 626 F CB 0.218 38.476 39.000 -1.237 0.000 1.078 626 F HN 0.369 nan 8.300 nan 0.000 0.546 627 F N -0.008 119.856 119.950 -0.143 0.000 2.507 627 F HA 0.520 5.047 4.527 -0.000 0.000 0.327 627 F C -0.039 175.457 175.800 -0.507 0.000 1.068 627 F CA -1.036 56.798 58.000 -0.278 0.000 0.965 627 F CB 1.137 39.980 39.000 -0.262 0.000 1.192 627 F HN -0.303 nan 8.300 nan 0.000 0.476 628 Q N 2.227 121.774 119.800 -0.423 0.000 2.397 628 Q HA 0.538 4.878 4.340 -0.000 0.000 0.275 628 Q C -1.698 173.986 176.000 -0.528 0.000 1.090 628 Q CA -0.737 54.819 55.803 -0.411 0.000 0.809 628 Q CB 3.202 31.864 28.738 -0.126 0.000 1.362 628 Q HN 0.506 nan 8.270 nan 0.000 0.431 629 F N 0.203 120.294 119.950 0.236 0.000 2.577 629 F HA 0.643 5.170 4.527 -0.000 0.000 0.318 629 F C 0.202 176.226 175.800 0.372 0.000 1.065 629 F CA -0.831 57.381 58.000 0.352 0.000 0.929 629 F CB 2.077 41.440 39.000 0.606 0.000 1.237 629 F HN 0.161 nan 8.300 nan 0.000 0.468 630 R N 2.031 122.791 120.500 0.434 0.000 2.508 630 R HA 0.435 4.775 4.340 -0.000 0.000 0.283 630 R C -2.157 174.088 176.300 -0.092 0.000 1.120 630 R CA -0.908 55.313 56.100 0.202 0.000 0.958 630 R CB 2.383 32.751 30.300 0.115 0.000 1.215 630 R HN 0.614 nan 8.270 nan 0.000 0.427 631 L N 2.130 123.102 121.223 -0.418 0.000 2.264 631 L HA 0.481 4.821 4.340 -0.000 0.000 0.289 631 L C -0.869 175.788 176.870 -0.356 0.000 1.044 631 L CA 0.298 54.725 54.840 -0.688 0.000 0.807 631 L CB 1.772 42.945 42.059 -1.476 0.000 1.192 631 L HN 0.433 nan 8.230 nan 0.000 0.425 632 S N 3.764 119.311 115.700 -0.255 0.000 2.756 632 S HA 0.722 5.192 4.470 -0.000 0.000 0.303 632 S C 0.301 174.810 174.600 -0.152 0.000 1.135 632 S CA 0.024 58.129 58.200 -0.159 0.000 1.066 632 S CB 0.900 64.040 63.200 -0.100 0.000 1.008 632 S HN 1.327 nan 8.310 nan 0.000 0.482 633 G N 4.090 112.807 108.800 -0.138 0.000 2.561 633 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.289 633 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.289 633 G C -0.077 174.732 174.900 -0.152 0.000 1.169 633 G CA 0.681 45.709 45.100 -0.121 0.000 0.980 633 G HN 0.667 nan 8.290 nan 0.000 0.550 634 Q N 0.526 120.240 119.800 -0.143 0.000 2.175 634 Q HA 0.449 4.789 4.340 -0.000 0.000 0.225 634 Q C 0.243 176.128 176.000 -0.192 0.000 0.837 634 Q CA 0.540 56.239 55.803 -0.174 0.000 1.032 634 Q CB 0.731 29.378 28.738 -0.153 0.000 1.137 634 Q HN 0.462 nan 8.270 nan 0.000 0.483 635 T N 1.934 116.384 114.554 -0.174 0.000 2.749 635 T HA 0.516 4.866 4.350 -0.000 0.000 0.287 635 T C -0.044 174.552 174.700 -0.173 0.000 0.970 635 T CA -0.500 61.510 62.100 -0.149 0.000 0.980 635 T CB 0.664 69.471 68.868 -0.101 0.000 0.924 635 T HN 0.169 nan 8.240 nan 0.000 0.456 636 I N 2.799 123.286 120.570 -0.139 0.000 2.385 636 I HA 0.420 4.590 4.170 -0.000 0.000 0.294 636 I C 0.483 176.608 176.117 0.013 0.000 0.988 636 I CA -0.703 60.541 61.300 -0.094 0.000 1.265 636 I CB 1.408 39.392 38.000 -0.028 0.000 1.388 636 I HN 0.593 nan 8.210 nan 0.000 0.480 637 E N 6.695 126.933 120.200 0.063 0.000 2.141 637 E HA 0.403 4.753 4.350 -0.000 0.000 0.259 637 E C -1.550 175.129 176.600 0.131 0.000 0.883 637 E CA -0.525 55.923 56.400 0.080 0.000 0.744 637 E CB 1.840 31.563 29.700 0.037 0.000 1.150 637 E HN 0.445 nan 8.360 nan 0.000 0.420 638 V N 3.383 123.366 119.914 0.115 0.000 2.607 638 V HA 0.384 4.504 4.120 -0.000 0.000 0.289 638 V C 0.311 176.424 176.094 0.032 0.000 1.053 638 V CA -0.407 61.921 62.300 0.047 0.000 0.996 638 V CB 1.534 33.405 31.823 0.081 0.000 0.995 638 V HN 0.673 nan 8.190 nan 0.000 0.476 639 T N 2.798 117.345 114.554 -0.011 0.000 2.879 639 T HA 0.335 4.684 4.350 -0.000 0.000 0.290 639 T C -0.300 174.408 174.700 0.013 0.000 0.993 639 T CA -0.238 61.865 62.100 0.005 0.000 0.975 639 T CB 1.580 70.433 68.868 -0.025 0.000 0.981 639 T HN 0.768 nan 8.240 nan 0.000 0.439 640 S N 1.925 117.637 115.700 0.020 0.000 2.537 640 S HA 0.280 4.750 4.470 -0.000 0.000 0.275 640 S C 0.603 175.119 174.600 -0.139 0.000 1.272 640 S CA -0.454 57.706 58.200 -0.067 0.000 1.050 640 S CB 0.628 63.842 63.200 0.023 0.000 0.961 640 S HN 0.728 nan 8.310 nan 0.000 0.496 641 E N 2.962 123.003 120.200 -0.265 0.000 2.496 641 E HA 0.127 4.477 4.350 -0.000 0.000 0.200 641 E C -1.168 175.281 176.600 -0.253 0.000 1.016 641 E CA -0.091 56.185 56.400 -0.206 0.000 0.962 641 E CB 0.397 29.983 29.700 -0.190 0.000 1.071 641 E HN 0.612 nan 8.360 nan 0.000 0.457 642 Y N 0.079 120.231 120.300 -0.246 0.000 2.334 642 Y HA 0.177 4.727 4.550 -0.000 0.000 0.328 642 Y C 1.111 176.801 175.900 -0.351 0.000 1.130 642 Y CA -0.183 57.720 58.100 -0.329 0.000 1.163 642 Y CB 1.008 39.259 38.460 -0.348 0.000 1.207 642 Y HN -0.013 nan 8.280 nan 0.000 0.471 643 L N 1.784 122.778 121.223 -0.382 0.000 2.515 643 L HA 0.087 4.427 4.340 -0.000 0.000 0.223 643 L C 0.443 176.830 176.870 -0.805 0.000 1.079 643 L CA 0.535 54.916 54.840 -0.765 0.000 0.857 643 L CB 0.101 41.314 42.059 -1.410 0.000 1.050 643 L HN 0.560 nan 8.230 nan 0.000 0.476 644 F N -0.771 119.172 119.950 -0.011 0.000 2.581 644 F HA 0.218 4.745 4.527 -0.000 0.000 0.278 644 F C 1.355 177.119 175.800 -0.060 0.000 1.000 644 F CA -0.793 57.177 58.000 -0.049 0.000 1.230 644 F CB -0.101 38.853 39.000 -0.077 0.000 1.008 644 F HN -0.158 nan 8.300 nan 0.000 0.695 645 R N 0.501 121.014 120.500 0.022 0.000 2.528 645 R HA 0.406 4.746 4.340 -0.000 0.000 0.271 645 R C -0.905 175.352 176.300 -0.071 0.000 1.056 645 R CA -0.523 55.530 56.100 -0.078 0.000 1.117 645 R CB 0.634 30.798 30.300 -0.227 0.000 1.085 645 R HN 0.161 nan 8.270 nan 0.000 0.530 646 H N 0.140 119.154 119.070 -0.093 0.000 2.483 646 H HA 0.162 4.718 4.556 -0.000 0.000 0.338 646 H C -0.300 175.008 175.328 -0.035 0.000 1.152 646 H CA -0.292 55.736 56.048 -0.034 0.000 1.264 646 H CB 1.427 31.188 29.762 -0.001 0.000 1.510 646 H HN 0.747 nan 8.280 nan 0.000 0.530 647 S N 2.287 117.715 115.700 -0.454 0.000 4.117 647 S HA -0.030 4.440 4.470 -0.000 0.000 0.191 647 S C 0.141 174.775 174.600 0.057 0.000 1.308 647 S CA -0.134 58.026 58.200 -0.067 0.000 0.906 647 S CB -0.780 62.446 63.200 0.044 0.000 1.565 647 S HN 0.737 nan 8.310 nan 0.000 0.439 648 D N 0.628 121.091 120.400 0.105 0.000 2.340 648 D HA 0.014 4.654 4.640 -0.000 0.000 0.220 648 D C 0.406 176.754 176.300 0.080 0.000 1.039 648 D CA 0.045 54.119 54.000 0.123 0.000 0.866 648 D CB -0.225 40.651 40.800 0.126 0.000 0.913 648 D HN 0.483 nan 8.370 nan 0.000 0.523 649 N N -0.080 118.666 118.700 0.078 0.000 2.646 649 N HA 0.191 4.931 4.740 -0.000 0.000 0.303 649 N C -1.598 173.967 175.510 0.091 0.000 1.921 649 N CA -0.261 52.829 53.050 0.068 0.000 0.872 649 N CB 0.400 38.918 38.487 0.051 0.000 1.327 649 N HN -0.064 nan 8.380 nan 0.000 0.492 650 E N 0.163 120.411 120.200 0.079 0.000 2.260 650 E HA 0.378 4.728 4.350 -0.000 0.000 0.266 650 E C -1.670 174.947 176.600 0.029 0.000 0.887 650 E CA -0.610 55.822 56.400 0.053 0.000 0.777 650 E CB 1.735 31.449 29.700 0.023 0.000 1.205 650 E HN 0.052 nan 8.360 nan 0.000 0.414 651 L N 3.861 125.100 121.223 0.027 0.000 2.341 651 L HA 0.550 4.890 4.340 -0.000 0.000 0.278 651 L C -1.614 175.296 176.870 0.066 0.000 1.005 651 L CA -1.100 53.776 54.840 0.061 0.000 0.818 651 L CB 1.471 43.571 42.059 0.069 0.000 1.259 651 L HN 0.543 nan 8.230 nan 0.000 0.418 652 L N 5.516 126.836 121.223 0.161 0.000 2.276 652 L HA 0.443 4.783 4.340 -0.000 0.000 0.286 652 L C -0.702 176.414 176.870 0.410 0.000 1.024 652 L CA 0.049 55.024 54.840 0.224 0.000 0.826 652 L CB 0.570 42.758 42.059 0.215 0.000 1.211 652 L HN 0.580 nan 8.230 nan 0.000 0.422 653 H N 5.817 124.964 119.070 0.128 0.000 2.467 653 H HA 0.428 4.984 4.556 -0.000 0.000 0.326 653 H C -1.164 174.252 175.328 0.147 0.000 1.094 653 H CA -0.701 55.379 56.048 0.055 0.000 1.253 653 H CB 0.995 30.744 29.762 -0.022 0.000 1.439 653 H HN 0.709 nan 8.280 nan 0.000 0.479 654 W N 3.895 125.269 121.300 0.123 0.000 2.844 654 W HA 0.529 5.189 4.660 -0.000 0.000 0.340 654 W C -1.732 174.825 176.519 0.063 0.000 1.093 654 W CA -1.339 56.067 57.345 0.101 0.000 1.212 654 W CB 1.349 30.868 29.460 0.099 0.000 1.422 654 W HN 0.425 nan 8.180 nan 0.000 0.515 655 M N 3.358 123.126 119.600 0.281 0.000 2.326 655 M HA 0.546 5.026 4.480 -0.000 0.000 0.292 655 M C -2.081 174.396 176.300 0.294 0.000 1.081 655 M CA -0.510 54.870 55.300 0.134 0.000 0.919 655 M CB 2.308 34.910 32.600 0.005 0.000 1.634 655 M HN 0.231 nan 8.290 nan 0.000 0.451 656 V N 3.876 123.955 119.914 0.276 0.000 2.483 656 V HA 0.989 5.109 4.120 -0.000 0.000 0.295 656 V C -0.266 175.930 176.094 0.170 0.000 1.035 656 V CA -0.395 62.063 62.300 0.264 0.000 0.896 656 V CB 1.226 33.222 31.823 0.289 0.000 0.986 656 V HN 0.968 nan 8.190 nan 0.000 0.447 657 A N 4.193 127.129 122.820 0.192 0.000 2.589 657 A HA 0.786 5.106 4.320 -0.000 0.000 0.296 657 A C -1.797 175.900 177.584 0.189 0.000 1.062 657 A CA -0.530 51.591 52.037 0.141 0.000 0.686 657 A CB 1.585 20.626 19.000 0.068 0.000 1.282 657 A HN 0.718 nan 8.150 nan 0.000 0.404 658 L N 1.816 123.117 121.223 0.130 0.000 2.262 658 L HA 0.513 4.853 4.340 -0.000 0.000 0.288 658 L C -0.353 176.600 176.870 0.139 0.000 1.035 658 L CA 0.325 55.253 54.840 0.148 0.000 0.820 658 L CB 0.355 42.469 42.059 0.092 0.000 1.204 658 L HN 0.750 nan 8.230 nan 0.000 0.424 659 D N 4.788 125.335 120.400 0.245 0.000 2.692 659 D HA -0.220 4.420 4.640 -0.000 0.000 0.233 659 D C 1.135 177.437 176.300 0.003 0.000 1.172 659 D CA 1.442 55.572 54.000 0.216 0.000 0.636 659 D CB -0.966 39.939 40.800 0.175 0.000 1.028 659 D HN 1.127 nan 8.370 nan 0.000 0.419 660 G N -0.638 108.125 108.800 -0.061 0.000 2.157 660 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.239 660 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.239 660 G C 0.314 175.128 174.900 -0.144 0.000 0.982 660 G CA 0.325 45.290 45.100 -0.226 0.000 0.650 660 G HN 0.439 nan 8.290 nan 0.000 0.527 661 K N 2.102 122.473 120.400 -0.049 0.000 2.296 661 K HA 0.438 4.758 4.320 -0.000 0.000 0.257 661 K C -2.200 174.391 176.600 -0.015 0.000 1.088 661 K CA -2.060 54.206 56.287 -0.036 0.000 0.980 661 K CB 1.318 33.812 32.500 -0.011 0.000 1.430 661 K HN 0.105 nan 8.250 nan 0.000 0.441 662 P HA -0.134 nan 4.420 nan 0.000 0.259 662 P C -0.163 177.132 177.300 -0.009 0.000 1.163 662 P CA 0.661 63.741 63.100 -0.033 0.000 0.760 662 P CB 0.648 32.307 31.700 -0.070 0.000 0.762 663 L N 1.448 122.682 121.223 0.019 0.000 2.624 663 L HA 0.448 4.788 4.340 -0.000 0.000 0.222 663 L C 0.969 177.859 176.870 0.033 0.000 1.046 663 L CA 0.294 55.154 54.840 0.033 0.000 0.872 663 L CB 0.217 42.316 42.059 0.066 0.000 1.190 663 L HN 0.370 nan 8.230 nan 0.000 0.487 664 A N -0.644 122.201 122.820 0.041 0.000 2.589 664 A HA 0.706 5.025 4.320 -0.000 0.000 0.296 664 A C -1.112 176.358 177.584 -0.190 0.000 1.062 664 A CA -0.238 51.807 52.037 0.014 0.000 0.686 664 A CB 2.089 21.210 19.000 0.202 0.000 1.282 664 A HN -0.101 nan 8.150 nan 0.000 0.404 665 S N -0.852 114.558 115.700 -0.484 0.000 2.599 665 S HA 0.928 5.398 4.470 -0.000 0.000 0.287 665 S C -0.267 173.491 174.600 -1.404 0.000 1.105 665 S CA 0.141 57.797 58.200 -0.907 0.000 0.899 665 S CB 1.976 64.871 63.200 -0.510 0.000 1.100 665 S HN 2.170 nan 8.310 nan 0.000 0.482 666 G N 1.295 108.946 108.800 -1.915 0.000 2.703 666 G HA2 0.561 4.521 3.960 -0.000 0.000 0.294 666 G HA3 0.561 4.521 3.960 -0.000 0.000 0.294 666 G C -2.184 172.258 174.900 -0.764 0.000 1.451 666 G CA -0.548 43.811 45.100 -1.235 0.000 0.869 666 G HN 0.563 nan 8.290 nan 0.000 0.516 667 E N -0.511 119.575 120.200 -0.190 0.000 2.222 667 E HA 0.621 4.971 4.350 -0.000 0.000 0.267 667 E C -0.978 175.738 176.600 0.193 0.000 0.884 667 E CA -0.818 55.566 56.400 -0.027 0.000 0.764 667 E CB 2.854 32.483 29.700 -0.119 0.000 1.169 667 E HN 0.378 nan 8.360 nan 0.000 0.413 668 V N 2.407 122.478 119.914 0.262 0.000 2.733 668 V HA 0.401 4.521 4.120 -0.000 0.000 0.306 668 V C -2.586 173.610 176.094 0.169 0.000 1.084 668 V CA -2.280 60.147 62.300 0.210 0.000 0.905 668 V CB 1.709 33.665 31.823 0.222 0.000 1.010 668 V HN 0.569 nan 8.190 nan 0.000 0.424 669 P HA 0.332 nan 4.420 nan 0.000 0.282 669 P C -0.538 176.812 177.300 0.084 0.000 1.262 669 P CA -0.106 63.054 63.100 0.101 0.000 0.773 669 P CB 0.829 32.583 31.700 0.090 0.000 0.879 670 L N 3.533 124.789 121.223 0.054 0.000 2.367 670 L HA 0.231 4.571 4.340 -0.000 0.000 0.275 670 L C 0.749 177.647 176.870 0.046 0.000 1.129 670 L CA 0.428 55.282 54.840 0.023 0.000 0.839 670 L CB 0.376 42.387 42.059 -0.080 0.000 1.133 670 L HN 0.340 nan 8.230 nan 0.000 0.453 671 D N 3.634 124.069 120.400 0.058 0.000 2.443 671 D HA 0.362 5.002 4.640 -0.000 0.000 0.281 671 D C -1.131 175.189 176.300 0.033 0.000 1.210 671 D CA -0.168 53.897 54.000 0.107 0.000 0.875 671 D CB 0.890 41.797 40.800 0.178 0.000 1.125 671 D HN 0.150 nan 8.370 nan 0.000 0.503 672 V N -0.051 119.718 119.914 -0.241 0.000 2.709 672 V HA 0.950 5.070 4.120 -0.000 0.000 0.308 672 V C 0.479 176.309 176.094 -0.440 0.000 1.062 672 V CA -1.307 60.884 62.300 -0.181 0.000 0.901 672 V CB 1.164 32.998 31.823 0.017 0.000 1.003 672 V HN 0.389 nan 8.190 nan 0.000 0.425 673 A N 4.741 127.558 122.820 -0.005 0.000 2.366 673 A HA 0.783 5.103 4.320 -0.000 0.000 0.249 673 A C -2.355 175.258 177.584 0.048 0.000 1.084 673 A CA -1.367 50.763 52.037 0.155 0.000 0.794 673 A CB -0.319 18.788 19.000 0.180 0.000 1.034 673 A HN 0.793 nan 8.150 nan 0.000 0.491 674 P HA 0.167 nan 4.420 nan 0.000 0.271 674 P C -0.496 176.797 177.300 -0.012 0.000 1.216 674 P CA 0.245 63.347 63.100 0.004 0.000 0.771 674 P CB 0.459 32.144 31.700 -0.026 0.000 0.864 675 Q N -1.051 118.728 119.800 -0.034 0.000 2.393 675 Q HA -0.196 4.144 4.340 -0.000 0.000 0.235 675 Q C 0.788 176.783 176.000 -0.009 0.000 0.823 675 Q CA 1.210 56.990 55.803 -0.039 0.000 1.284 675 Q CB -2.299 26.407 28.738 -0.054 0.000 1.669 675 Q HN 0.752 nan 8.270 nan 0.000 0.597 676 G N 0.283 109.090 108.800 0.012 0.000 2.583 676 G HA2 0.626 4.586 3.960 -0.000 0.000 0.280 676 G HA3 0.626 4.586 3.960 -0.000 0.000 0.280 676 G C -0.430 174.490 174.900 0.033 0.000 1.376 676 G CA -0.523 44.594 45.100 0.029 0.000 1.043 676 G HN -0.007 nan 8.290 nan 0.000 0.538 677 K N -0.822 119.603 120.400 0.043 0.000 2.527 677 K HA 0.395 4.715 4.320 -0.000 0.000 0.260 677 K C -1.347 175.286 176.600 0.054 0.000 0.937 677 K CA -0.576 55.739 56.287 0.046 0.000 0.826 677 K CB 2.743 35.263 32.500 0.033 0.000 1.359 677 K HN 0.534 nan 8.250 nan 0.000 0.434 678 Q N 3.100 122.936 119.800 0.060 0.000 2.323 678 Q HA 0.409 4.749 4.340 -0.000 0.000 0.271 678 Q C -1.462 174.570 176.000 0.055 0.000 1.048 678 Q CA -0.705 55.135 55.803 0.061 0.000 0.792 678 Q CB 1.376 30.156 28.738 0.071 0.000 1.280 678 Q HN 0.503 nan 8.270 nan 0.000 0.441 679 L N 5.599 126.846 121.223 0.040 0.000 2.276 679 L HA 0.479 4.819 4.340 -0.000 0.000 0.286 679 L C -0.497 176.385 176.870 0.019 0.000 1.061 679 L CA -0.561 54.293 54.840 0.024 0.000 0.807 679 L CB 0.962 43.026 42.059 0.008 0.000 1.177 679 L HN 0.669 nan 8.230 nan 0.000 0.429 680 I N 3.341 123.915 120.570 0.007 0.000 2.390 680 I HA 0.219 4.389 4.170 -0.000 0.000 0.283 680 I C 0.051 176.123 176.117 -0.076 0.000 1.016 680 I CA -0.312 60.979 61.300 -0.014 0.000 1.151 680 I CB 1.619 39.630 38.000 0.018 0.000 1.293 680 I HN 0.568 nan 8.210 nan 0.000 0.458 681 E N 6.358 126.511 120.200 -0.078 0.000 2.229 681 E HA 0.410 4.759 4.350 -0.000 0.000 0.283 681 E C -0.674 175.823 176.600 -0.171 0.000 1.030 681 E CA -0.523 55.810 56.400 -0.112 0.000 0.836 681 E CB 1.315 30.971 29.700 -0.073 0.000 1.068 681 E HN 0.448 nan 8.360 nan 0.000 0.401 682 L N 4.990 126.064 121.223 -0.249 0.000 2.456 682 L HA 0.355 4.695 4.340 -0.000 0.000 0.257 682 L C -1.751 174.987 176.870 -0.221 0.000 1.162 682 L CA -1.750 52.867 54.840 -0.372 0.000 0.808 682 L CB -0.097 41.622 42.059 -0.567 0.000 1.136 682 L HN 0.430 nan 8.230 nan 0.000 0.466 683 P HA 0.082 nan 4.420 nan 0.000 0.278 683 P C -0.734 176.532 177.300 -0.056 0.000 1.266 683 P CA -0.691 62.372 63.100 -0.062 0.000 0.807 683 P CB 0.479 32.205 31.700 0.043 0.000 1.094 684 E N 0.833 121.025 120.200 -0.015 0.000 2.966 684 E HA -0.086 4.264 4.350 -0.000 0.000 0.254 684 E C -0.583 176.020 176.600 0.006 0.000 0.923 684 E CA 0.633 57.029 56.400 -0.007 0.000 0.960 684 E CB -0.030 29.661 29.700 -0.016 0.000 0.901 684 E HN 0.322 nan 8.360 nan 0.000 0.525 685 L N 7.784 129.001 121.223 -0.010 0.000 2.265 685 L HA 0.276 4.616 4.340 -0.000 0.000 0.288 685 L C -1.727 175.159 176.870 0.027 0.000 1.058 685 L CA -2.052 52.795 54.840 0.012 0.000 0.809 685 L CB 0.962 43.013 42.059 -0.012 0.000 1.179 685 L HN 0.379 nan 8.230 nan 0.000 0.429 686 P HA -0.031 nan 4.420 nan 0.000 0.265 686 P C -1.178 176.143 177.300 0.035 0.000 1.187 686 P CA 0.073 63.200 63.100 0.046 0.000 0.766 686 P CB 0.454 32.192 31.700 0.062 0.000 0.820 687 Q N 2.387 122.202 119.800 0.025 0.000 2.616 687 Q HA 0.315 4.655 4.340 -0.000 0.000 0.250 687 Q C -1.955 174.057 176.000 0.019 0.000 0.991 687 Q CA -1.581 54.232 55.803 0.018 0.000 0.707 687 Q CB 0.985 29.728 28.738 0.009 0.000 1.247 687 Q HN 0.451 nan 8.270 nan 0.000 0.491 688 P HA 0.085 nan 4.420 nan 0.000 0.274 688 P C 0.010 177.321 177.300 0.019 0.000 1.260 688 P CA -0.149 62.966 63.100 0.024 0.000 0.793 688 P CB 1.337 33.056 31.700 0.031 0.000 1.048 689 E N -0.944 119.267 120.200 0.019 0.000 2.364 689 E HA 0.053 4.403 4.350 -0.000 0.000 0.203 689 E C 0.448 177.060 176.600 0.020 0.000 0.888 689 E CA 0.078 56.488 56.400 0.017 0.000 0.989 689 E CB -0.208 29.501 29.700 0.015 0.000 0.985 689 E HN 0.466 nan 8.360 nan 0.000 0.499 690 S N 1.960 117.674 115.700 0.023 0.000 2.549 690 S HA 0.217 4.687 4.470 -0.000 0.000 0.278 690 S C 0.426 175.045 174.600 0.031 0.000 1.344 690 S CA -0.123 58.093 58.200 0.027 0.000 1.025 690 S CB 0.645 63.863 63.200 0.029 0.000 0.851 690 S HN 0.310 nan 8.310 nan 0.000 0.530 691 A N 1.071 123.912 122.820 0.035 0.000 2.304 691 A HA 0.812 5.132 4.320 -0.000 0.000 0.271 691 A C 0.872 178.488 177.584 0.053 0.000 1.091 691 A CA 0.131 52.191 52.037 0.039 0.000 0.812 691 A CB -0.079 18.945 19.000 0.040 0.000 1.056 691 A HN 2.076 nan 8.150 nan 0.000 0.489 692 G N -0.529 108.304 108.800 0.055 0.000 2.359 692 G HA2 0.324 4.284 3.960 -0.000 0.000 0.303 692 G HA3 0.324 4.284 3.960 -0.000 0.000 0.303 692 G C -1.291 173.648 174.900 0.065 0.000 1.293 692 G CA -0.831 44.318 45.100 0.081 0.000 0.964 692 G HN 0.855 nan 8.290 nan 0.000 0.531 693 Q N -0.599 119.267 119.800 0.109 0.000 2.307 693 Q HA 0.597 4.937 4.340 -0.000 0.000 0.262 693 Q C -0.671 175.400 176.000 0.118 0.000 0.961 693 Q CA -0.789 55.032 55.803 0.030 0.000 0.882 693 Q CB 2.207 30.954 28.738 0.014 0.000 1.264 693 Q HN 0.554 nan 8.270 nan 0.000 0.446 694 L N 3.817 125.033 121.223 -0.012 0.000 2.265 694 L HA 0.449 4.789 4.340 -0.000 0.000 0.288 694 L C -1.783 175.083 176.870 -0.007 0.000 1.058 694 L CA 0.160 55.038 54.840 0.065 0.000 0.809 694 L CB 0.328 42.401 42.059 0.025 0.000 1.179 694 L HN 0.589 nan 8.230 nan 0.000 0.429 695 W N 5.565 126.924 121.300 0.098 0.000 2.739 695 W HA 0.510 5.170 4.660 -0.000 0.000 0.331 695 W C -1.097 175.519 176.519 0.162 0.000 1.049 695 W CA -0.756 56.665 57.345 0.127 0.000 1.234 695 W CB 1.826 31.380 29.460 0.158 0.000 1.404 695 W HN 0.293 nan 8.180 nan 0.000 0.477 696 L N 3.825 125.339 121.223 0.485 0.000 2.264 696 L HA 0.636 4.976 4.340 -0.000 0.000 0.289 696 L C -0.218 176.917 176.870 0.442 0.000 1.044 696 L CA 0.371 55.478 54.840 0.445 0.000 0.807 696 L CB 0.899 43.222 42.059 0.440 0.000 1.192 696 L HN 0.284 nan 8.230 nan 0.000 0.425 697 T N 5.273 120.031 114.554 0.340 0.000 2.809 697 T HA 0.598 4.948 4.350 -0.000 0.000 0.284 697 T C -0.656 174.174 174.700 0.217 0.000 0.992 697 T CA -0.440 61.792 62.100 0.220 0.000 0.957 697 T CB 1.321 70.264 68.868 0.125 0.000 0.942 697 T HN 0.523 nan 8.240 nan 0.000 0.439 698 V N 2.252 122.238 119.914 0.120 0.000 2.581 698 V HA 0.831 4.951 4.120 -0.000 0.000 0.303 698 V C -0.488 175.644 176.094 0.063 0.000 1.041 698 V CA -1.106 61.253 62.300 0.097 0.000 0.907 698 V CB 1.683 33.510 31.823 0.006 0.000 0.994 698 V HN 0.773 nan 8.190 nan 0.000 0.442 699 R N 2.308 122.883 120.500 0.125 0.000 2.686 699 R HA 0.782 5.122 4.340 -0.000 0.000 0.283 699 R C -1.619 174.755 176.300 0.124 0.000 0.978 699 R CA -0.718 55.475 56.100 0.156 0.000 0.897 699 R CB 2.685 33.025 30.300 0.068 0.000 1.192 699 R HN 0.677 nan 8.270 nan 0.000 0.457 700 V N 3.887 123.906 119.914 0.176 0.000 2.328 700 V HA 0.333 4.453 4.120 -0.000 0.000 0.278 700 V C -0.569 175.562 176.094 0.061 0.000 1.021 700 V CA -0.597 61.768 62.300 0.108 0.000 0.838 700 V CB 1.611 33.517 31.823 0.138 0.000 0.999 700 V HN 0.447 nan 8.190 nan 0.000 0.447 701 V N 4.965 124.848 119.914 -0.051 0.000 2.459 701 V HA 0.413 4.533 4.120 -0.000 0.000 0.295 701 V C -0.075 176.024 176.094 0.010 0.000 1.029 701 V CA -0.800 61.458 62.300 -0.069 0.000 0.874 701 V CB 1.638 33.308 31.823 -0.256 0.000 0.985 701 V HN 0.851 nan 8.190 nan 0.000 0.438 702 Q N 5.833 125.681 119.800 0.080 0.000 2.389 702 Q HA 0.239 4.579 4.340 -0.000 0.000 0.244 702 Q C -1.627 174.397 176.000 0.040 0.000 1.056 702 Q CA -1.684 54.172 55.803 0.089 0.000 0.908 702 Q CB 1.568 30.383 28.738 0.128 0.000 1.273 702 Q HN 0.517 nan 8.270 nan 0.000 0.471 703 P HA -0.222 nan 4.420 nan 0.000 0.214 703 P C -0.654 176.650 177.300 0.006 0.000 1.163 703 P CA 1.382 64.494 63.100 0.020 0.000 0.889 703 P CB 0.267 31.985 31.700 0.030 0.000 0.790 704 N N -0.785 117.912 118.700 -0.006 0.000 2.508 704 N HA 0.423 5.163 4.740 -0.000 0.000 0.285 704 N C -0.088 175.378 175.510 -0.074 0.000 1.144 704 N CA -0.675 52.358 53.050 -0.030 0.000 0.978 704 N CB 0.663 39.135 38.487 -0.024 0.000 1.180 704 N HN 0.023 nan 8.380 nan 0.000 0.484 705 A N 0.489 123.255 122.820 -0.089 0.000 2.310 705 A HA 0.541 4.861 4.320 -0.000 0.000 0.260 705 A C 0.547 177.998 177.584 -0.222 0.000 1.112 705 A CA -0.036 51.907 52.037 -0.156 0.000 0.804 705 A CB 0.089 19.022 19.000 -0.113 0.000 1.081 705 A HN 0.728 nan 8.150 nan 0.000 0.499 706 T N -4.471 109.870 114.554 -0.356 0.000 2.778 706 T HA 0.595 4.945 4.350 -0.000 0.000 0.293 706 T C 0.782 175.291 174.700 -0.318 0.000 1.144 706 T CA 0.147 61.992 62.100 -0.424 0.000 1.010 706 T CB 1.040 69.326 68.868 -0.971 0.000 1.325 706 T HN 1.512 nan 8.240 nan 0.000 0.515 707 A N 0.105 122.825 122.820 -0.167 0.000 2.067 707 A HA 0.106 4.426 4.320 -0.000 0.000 0.219 707 A C 1.741 179.370 177.584 0.075 0.000 1.158 707 A CA 1.312 53.390 52.037 0.068 0.000 0.661 707 A CB -0.886 18.292 19.000 0.297 0.000 0.801 707 A HN 0.921 nan 8.150 nan 0.000 0.452 708 W N -0.799 120.493 121.300 -0.013 0.000 2.998 708 W HA 0.378 5.038 4.660 -0.000 0.000 0.336 708 W C -0.023 176.418 176.519 -0.129 0.000 1.112 708 W CA 0.542 57.816 57.345 -0.117 0.000 1.682 708 W CB -0.932 28.430 29.460 -0.163 0.000 1.065 708 W HN 0.411 nan 8.180 nan 0.000 0.570 709 S N 0.977 116.279 115.700 -0.664 0.000 2.549 709 S HA 0.439 4.909 4.470 -0.000 0.000 0.280 709 S C -0.606 173.774 174.600 -0.366 0.000 1.109 709 S CA -0.743 57.117 58.200 -0.566 0.000 0.905 709 S CB 2.556 65.082 63.200 -1.124 0.000 1.081 709 S HN 0.187 nan 8.310 nan 0.000 0.477 710 E N 1.505 121.607 120.200 -0.163 0.000 2.314 710 E HA 0.587 4.937 4.350 -0.000 0.000 0.262 710 E C 0.271 176.848 176.600 -0.038 0.000 1.093 710 E CA -1.133 55.223 56.400 -0.075 0.000 0.908 710 E CB 0.600 30.291 29.700 -0.014 0.000 1.091 710 E HN 0.879 nan 8.360 nan 0.000 0.425 711 A N 0.938 123.742 122.820 -0.027 0.000 2.561 711 A HA 0.333 4.653 4.320 -0.000 0.000 0.234 711 A C 1.220 178.819 177.584 0.024 0.000 1.055 711 A CA 0.641 52.674 52.037 -0.008 0.000 0.756 711 A CB -0.815 18.180 19.000 -0.009 0.000 0.986 711 A HN 1.028 nan 8.150 nan 0.000 0.505 712 G N 0.819 109.636 108.800 0.029 0.000 2.246 712 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.273 712 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.273 712 G C 0.211 175.146 174.900 0.059 0.000 1.055 712 G CA 0.554 45.669 45.100 0.026 0.000 0.851 712 G HN 1.524 nan 8.290 nan 0.000 0.500 713 H N -0.151 118.916 119.070 -0.006 0.000 2.629 713 H HA 0.413 4.969 4.556 -0.000 0.000 0.357 713 H C -0.145 175.229 175.328 0.077 0.000 1.121 713 H CA -0.364 55.706 56.048 0.036 0.000 1.406 713 H CB 0.626 30.407 29.762 0.032 0.000 1.456 713 H HN 0.013 nan 8.280 nan 0.000 0.579 714 I N 4.772 125.030 120.570 -0.521 0.000 2.304 714 I HA -0.063 4.106 4.170 -0.000 0.000 0.291 714 I C 1.534 177.521 176.117 -0.216 0.000 1.018 714 I CA -0.054 61.095 61.300 -0.252 0.000 1.260 714 I CB 0.856 38.761 38.000 -0.159 0.000 1.390 714 I HN 0.675 nan 8.210 nan 0.000 0.475 715 S N 4.852 120.635 115.700 0.137 0.000 2.444 715 S HA 0.515 4.985 4.470 -0.000 0.000 0.223 715 S C 0.746 175.574 174.600 0.380 0.000 1.054 715 S CA 0.288 58.694 58.200 0.343 0.000 0.947 715 S CB 0.355 63.871 63.200 0.527 0.000 0.850 715 S HN 0.640 nan 8.310 nan 0.000 0.527 716 A N 0.261 123.337 122.820 0.427 0.000 2.569 716 A HA 0.781 5.101 4.320 -0.000 0.000 0.290 716 A C -1.751 176.164 177.584 0.552 0.000 1.136 716 A CA -0.846 51.398 52.037 0.345 0.000 0.710 716 A CB 0.825 20.046 19.000 0.368 0.000 1.303 716 A HN 1.009 nan 8.150 nan 0.000 0.413 717 W N -1.143 120.309 121.300 0.252 0.000 3.057 717 W HA 0.713 5.373 4.660 -0.000 0.000 0.328 717 W C -1.427 175.111 176.519 0.032 0.000 1.232 717 W CA -0.412 56.966 57.345 0.056 0.000 1.187 717 W CB 0.861 30.317 29.460 -0.007 0.000 1.417 717 W HN 0.924 nan 8.180 nan 0.000 0.569 718 Q N 1.509 121.276 119.800 -0.055 0.000 2.534 718 Q HA 0.589 4.929 4.340 -0.000 0.000 0.290 718 Q C -1.671 174.071 176.000 -0.430 0.000 0.991 718 Q CA -0.682 54.926 55.803 -0.325 0.000 0.783 718 Q CB 2.555 30.861 28.738 -0.721 0.000 1.470 718 Q HN 0.633 nan 8.270 nan 0.000 0.406 719 Q N 1.014 120.453 119.800 -0.602 0.000 2.320 719 Q HA 0.588 4.928 4.340 -0.000 0.000 0.272 719 Q C -1.542 174.229 176.000 -0.382 0.000 1.023 719 Q CA -0.708 54.897 55.803 -0.330 0.000 0.855 719 Q CB 1.512 30.278 28.738 0.046 0.000 1.367 719 Q HN 0.586 nan 8.270 nan 0.000 0.406 720 W N 2.053 123.531 121.300 0.296 0.000 2.781 720 W HA 0.530 5.190 4.660 -0.000 0.000 0.345 720 W C -0.337 176.187 176.519 0.010 0.000 1.085 720 W CA -0.911 56.531 57.345 0.161 0.000 1.198 720 W CB 2.117 31.617 29.460 0.066 0.000 1.423 720 W HN 0.667 nan 8.180 nan 0.000 0.532 721 R N 2.606 122.988 120.500 -0.195 0.000 2.233 721 R HA 0.249 4.589 4.340 -0.000 0.000 0.334 721 R C 1.012 177.098 176.300 -0.356 0.000 1.037 721 R CA -0.193 55.424 56.100 -0.805 0.000 0.920 721 R CB 0.334 29.734 30.300 -1.501 0.000 1.137 721 R HN 0.591 nan 8.270 nan 0.000 0.492 722 L N 2.221 123.319 121.223 -0.209 0.000 1.976 722 L HA -0.019 4.320 4.340 -0.000 0.000 0.209 722 L C 1.034 177.824 176.870 -0.134 0.000 1.071 722 L CA 1.694 56.470 54.840 -0.106 0.000 0.746 722 L CB -0.269 41.774 42.059 -0.026 0.000 0.890 722 L HN 0.662 nan 8.230 nan 0.000 0.432 723 A N -1.023 121.702 122.820 -0.158 0.000 2.535 723 A HA 0.649 4.969 4.320 -0.000 0.000 0.296 723 A C -1.336 176.165 177.584 -0.139 0.000 1.248 723 A CA -0.387 51.577 52.037 -0.122 0.000 0.686 723 A CB 1.984 20.946 19.000 -0.064 0.000 1.315 723 A HN 0.106 nan 8.150 nan 0.000 0.460 724 E N 0.123 120.272 120.200 -0.084 0.000 2.343 724 E HA 0.344 4.694 4.350 -0.000 0.000 0.288 724 E C -1.971 174.614 176.600 -0.026 0.000 0.907 724 E CA -0.544 55.819 56.400 -0.060 0.000 0.792 724 E CB 1.071 30.728 29.700 -0.072 0.000 1.275 724 E HN 0.537 nan 8.360 nan 0.000 0.402 725 N N 4.420 123.117 118.700 -0.005 0.000 2.469 725 N HA 0.327 5.066 4.740 -0.000 0.000 0.253 725 N C -0.725 174.793 175.510 0.015 0.000 0.970 725 N CA -0.332 52.721 53.050 0.006 0.000 0.940 725 N CB 1.198 39.694 38.487 0.014 0.000 1.128 725 N HN 0.509 nan 8.380 nan 0.000 0.503 726 L N 1.049 122.279 121.223 0.012 0.000 2.410 726 L HA 0.112 4.452 4.340 -0.000 0.000 0.273 726 L C 1.073 177.958 176.870 0.025 0.000 1.152 726 L CA -0.105 54.748 54.840 0.020 0.000 0.855 726 L CB 0.696 42.765 42.059 0.017 0.000 1.129 726 L HN 0.422 nan 8.230 nan 0.000 0.463 727 S N 2.759 118.479 115.700 0.034 0.000 2.481 727 S HA 0.141 4.611 4.470 -0.000 0.000 0.282 727 S C 0.471 175.090 174.600 0.031 0.000 1.243 727 S CA -0.807 57.414 58.200 0.035 0.000 1.078 727 S CB 0.254 63.480 63.200 0.044 0.000 0.916 727 S HN 0.449 nan 8.310 nan 0.000 0.495 728 V N 2.752 122.681 119.914 0.026 0.000 2.982 728 V HA 0.384 4.504 4.120 -0.000 0.000 0.368 728 V C 0.355 176.462 176.094 0.023 0.000 1.350 728 V CA -0.313 62.001 62.300 0.024 0.000 1.251 728 V CB -0.715 31.119 31.823 0.019 0.000 1.284 728 V HN 0.833 nan 8.190 nan 0.000 0.533 729 T N -0.584 113.985 114.554 0.026 0.000 2.823 729 T HA 0.749 5.099 4.350 -0.000 0.000 0.279 729 T C -0.329 174.386 174.700 0.024 0.000 0.998 729 T CA -0.618 61.496 62.100 0.024 0.000 0.994 729 T CB 2.053 70.934 68.868 0.023 0.000 0.960 729 T HN 0.256 nan 8.240 nan 0.000 0.448 730 L N 3.969 125.204 121.223 0.020 0.000 2.397 730 L HA 0.391 4.731 4.340 -0.000 0.000 0.271 730 L C -1.464 175.415 176.870 0.016 0.000 1.148 730 L CA -1.874 52.977 54.840 0.018 0.000 0.825 730 L CB -0.068 42.000 42.059 0.015 0.000 1.117 730 L HN 0.560 nan 8.230 nan 0.000 0.456 731 P HA 0.210 nan 4.420 nan 0.000 0.275 731 P C -0.653 176.646 177.300 -0.002 0.000 1.227 731 P CA -0.472 62.633 63.100 0.008 0.000 0.781 731 P CB 0.954 32.658 31.700 0.008 0.000 0.906 732 A N 2.921 125.736 122.820 -0.009 0.000 2.425 732 A HA 0.459 4.779 4.320 -0.000 0.000 0.249 732 A C 0.746 178.300 177.584 -0.049 0.000 1.084 732 A CA -0.163 51.863 52.037 -0.018 0.000 0.781 732 A CB -0.323 18.674 19.000 -0.005 0.000 1.019 732 A HN 0.696 nan 8.150 nan 0.000 0.490 733 A N 3.340 126.142 122.820 -0.031 0.000 2.524 733 A HA 0.420 4.740 4.320 -0.000 0.000 0.271 733 A C 1.066 178.559 177.584 -0.151 0.000 1.097 733 A CA 0.472 52.488 52.037 -0.035 0.000 0.791 733 A CB -1.153 17.866 19.000 0.032 0.000 1.028 733 A HN 1.637 nan 8.150 nan 0.000 0.518 734 S N 2.451 118.057 115.700 -0.158 0.000 2.573 734 S HA 0.102 4.572 4.470 -0.000 0.000 0.277 734 S C 0.275 174.768 174.600 -0.179 0.000 1.346 734 S CA 0.125 58.168 58.200 -0.261 0.000 1.034 734 S CB 0.058 63.189 63.200 -0.115 0.000 0.879 734 S HN 0.730 nan 8.310 nan 0.000 0.528 735 H N 0.468 119.547 119.070 0.015 0.000 2.507 735 H HA 0.604 5.160 4.556 -0.000 0.000 0.294 735 H C 0.509 175.844 175.328 0.012 0.000 1.064 735 H CA 0.064 56.118 56.048 0.011 0.000 1.138 735 H CB 0.116 29.883 29.762 0.009 0.000 1.515 735 H HN 0.851 nan 8.280 nan 0.000 0.547 736 A N 1.193 124.070 122.820 0.094 0.000 2.415 736 A HA 0.509 4.829 4.320 -0.000 0.000 0.294 736 A C -1.748 175.860 177.584 0.040 0.000 1.019 736 A CA -0.676 51.401 52.037 0.066 0.000 0.603 736 A CB 0.750 19.792 19.000 0.070 0.000 1.382 736 A HN 0.260 nan 8.150 nan 0.000 0.483 737 I N -2.095 118.501 120.570 0.043 0.000 2.908 737 I HA 0.724 4.894 4.170 -0.000 0.000 0.300 737 I C -3.084 173.068 176.117 0.057 0.000 1.385 737 I CA -2.351 58.969 61.300 0.034 0.000 1.004 737 I CB 2.130 40.139 38.000 0.015 0.000 1.309 737 I HN 0.437 nan 8.210 nan 0.000 0.449 738 P HA 0.042 nan 4.420 nan 0.000 0.269 738 P C -1.297 176.072 177.300 0.116 0.000 1.211 738 P CA 0.361 63.511 63.100 0.084 0.000 0.781 738 P CB 0.153 31.870 31.700 0.028 0.000 0.877 739 H N 2.158 121.251 119.070 0.038 0.000 2.551 739 H HA 0.392 4.948 4.556 -0.000 0.000 0.321 739 H C -1.017 174.328 175.328 0.028 0.000 1.028 739 H CA -0.978 55.084 56.048 0.022 0.000 1.215 739 H CB 0.774 30.550 29.762 0.023 0.000 1.414 739 H HN 0.222 nan 8.280 nan 0.000 0.480 740 L N 5.426 126.429 121.223 -0.368 0.000 2.272 740 L HA 0.395 4.735 4.340 -0.000 0.000 0.289 740 L C -0.814 175.818 176.870 -0.397 0.000 1.032 740 L CA -0.038 54.624 54.840 -0.296 0.000 0.810 740 L CB 1.551 43.471 42.059 -0.231 0.000 1.205 740 L HN 0.447 nan 8.230 nan 0.000 0.422 741 T N 2.563 116.981 114.554 -0.226 0.000 2.945 741 T HA 0.666 5.016 4.350 -0.000 0.000 0.286 741 T C -0.461 174.262 174.700 0.040 0.000 1.025 741 T CA -0.539 61.484 62.100 -0.128 0.000 1.039 741 T CB 1.569 70.395 68.868 -0.070 0.000 1.068 741 T HN 0.677 nan 8.240 nan 0.000 0.497 742 T N 1.585 116.181 114.554 0.070 0.000 3.050 742 T HA 0.473 4.823 4.350 -0.000 0.000 0.310 742 T C -0.101 174.653 174.700 0.091 0.000 0.978 742 T CA -0.612 61.591 62.100 0.173 0.000 1.013 742 T CB 1.375 70.365 68.868 0.203 0.000 1.000 742 T HN 0.627 nan 8.240 nan 0.000 0.447 743 S N 2.119 117.851 115.700 0.054 0.000 2.694 743 S HA 0.369 4.839 4.470 -0.000 0.000 0.278 743 S C 1.163 175.738 174.600 -0.040 0.000 1.152 743 S CA -0.341 57.860 58.200 0.002 0.000 1.010 743 S CB 1.171 64.366 63.200 -0.008 0.000 1.104 743 S HN 0.665 nan 8.310 nan 0.000 0.547 744 E N -0.015 120.159 120.200 -0.045 0.000 2.230 744 E HA 0.101 4.451 4.350 -0.000 0.000 0.192 744 E C 1.500 178.036 176.600 -0.107 0.000 0.987 744 E CA 0.843 57.204 56.400 -0.065 0.000 0.841 744 E CB -0.023 29.653 29.700 -0.040 0.000 0.783 744 E HN 0.603 nan 8.360 nan 0.000 0.481 745 M N 0.644 120.188 119.600 -0.093 0.000 2.441 745 M HA 0.180 4.660 4.480 -0.000 0.000 0.244 745 M C -0.446 175.769 176.300 -0.142 0.000 1.122 745 M CA 0.414 55.655 55.300 -0.098 0.000 1.041 745 M CB -0.211 32.362 32.600 -0.044 0.000 1.438 745 M HN -0.010 nan 8.290 nan 0.000 0.484 746 D N -0.936 119.355 120.400 -0.182 0.000 2.738 746 D HA 0.461 5.101 4.640 -0.000 0.000 0.308 746 D C -1.385 174.816 176.300 -0.165 0.000 1.311 746 D CA -0.613 53.267 54.000 -0.198 0.000 0.799 746 D CB 0.725 41.520 40.800 -0.008 0.000 1.332 746 D HN -0.185 nan 8.370 nan 0.000 0.441 747 F N 0.067 120.073 119.950 0.095 0.000 2.499 747 F HA 0.505 5.032 4.527 -0.000 0.000 0.333 747 F C -0.487 175.396 175.800 0.138 0.000 1.138 747 F CA -1.617 56.424 58.000 0.069 0.000 0.945 747 F CB 1.773 40.783 39.000 0.017 0.000 1.181 747 F HN 0.518 nan 8.300 nan 0.000 0.435 748 C N 5.091 124.550 119.300 0.265 0.000 2.319 748 C HA 0.779 5.239 4.460 -0.000 0.000 0.335 748 C C -0.352 174.740 174.990 0.170 0.000 1.274 748 C CA -0.457 58.686 59.018 0.208 0.000 1.806 748 C CB -0.071 27.729 27.740 0.101 0.000 2.329 748 C HN 0.515 nan 8.230 nan 0.000 0.524 749 I N 4.236 124.963 120.570 0.262 0.000 2.436 749 I HA 0.483 4.653 4.170 -0.000 0.000 0.289 749 I C 0.076 176.410 176.117 0.362 0.000 1.010 749 I CA -0.084 61.362 61.300 0.243 0.000 1.098 749 I CB 1.394 39.537 38.000 0.238 0.000 1.266 749 I HN 0.627 nan 8.210 nan 0.000 0.434 750 E N 5.028 125.387 120.200 0.265 0.000 2.277 750 E HA 0.758 5.108 4.350 -0.000 0.000 0.266 750 E C -1.457 175.308 176.600 0.275 0.000 0.901 750 E CA -0.900 55.652 56.400 0.253 0.000 0.782 750 E CB 2.685 32.484 29.700 0.165 0.000 1.228 750 E HN 0.472 nan 8.360 nan 0.000 0.424 751 L N 3.065 124.433 121.223 0.242 0.000 2.513 751 L HA 0.373 4.712 4.340 -0.000 0.000 0.256 751 L C -0.129 176.806 176.870 0.108 0.000 1.163 751 L CA 0.567 55.529 54.840 0.203 0.000 0.895 751 L CB 0.539 42.770 42.059 0.288 0.000 1.076 751 L HN 0.809 nan 8.230 nan 0.000 0.491 752 G N 2.890 111.724 108.800 0.058 0.000 2.527 752 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.262 752 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.262 752 G C 0.559 175.448 174.900 -0.019 0.000 1.153 752 G CA 0.398 45.508 45.100 0.017 0.000 0.954 752 G HN 0.785 nan 8.290 nan 0.000 0.552 753 N N 1.540 120.215 118.700 -0.041 0.000 2.354 753 N HA 0.028 4.768 4.740 -0.000 0.000 0.179 753 N C 0.667 176.112 175.510 -0.109 0.000 1.021 753 N CA 1.273 54.283 53.050 -0.067 0.000 0.887 753 N CB -0.191 38.257 38.487 -0.064 0.000 0.974 753 N HN 0.789 nan 8.380 nan 0.000 0.437 754 K N 1.164 121.467 120.400 -0.162 0.000 2.368 754 K HA 0.260 4.580 4.320 -0.000 0.000 0.282 754 K C -0.055 176.322 176.600 -0.371 0.000 1.035 754 K CA -0.056 56.002 56.287 -0.382 0.000 0.973 754 K CB 1.354 33.517 32.500 -0.563 0.000 0.957 754 K HN 0.093 nan 8.250 nan 0.000 0.474 755 R N 1.922 122.172 120.500 -0.416 0.000 2.744 755 R HA 0.432 4.772 4.340 -0.000 0.000 0.279 755 R C -1.280 174.958 176.300 -0.104 0.000 0.977 755 R CA -0.734 55.310 56.100 -0.093 0.000 0.906 755 R CB 1.831 32.137 30.300 0.011 0.000 1.197 755 R HN 0.625 nan 8.270 nan 0.000 0.463 756 W N 2.943 124.363 121.300 0.199 0.000 2.884 756 W HA 0.237 4.897 4.660 -0.000 0.000 0.336 756 W C -0.444 176.174 176.519 0.164 0.000 1.038 756 W CA -0.489 56.923 57.345 0.112 0.000 1.247 756 W CB 1.936 31.423 29.460 0.045 0.000 1.351 756 W HN 0.451 nan 8.180 nan 0.000 0.446 757 Q N 1.928 121.924 119.800 0.326 0.000 2.193 757 Q HA 0.583 4.923 4.340 -0.000 0.000 0.246 757 Q C -1.693 174.300 176.000 -0.012 0.000 0.959 757 Q CA -0.232 55.733 55.803 0.270 0.000 0.904 757 Q CB 1.508 30.468 28.738 0.371 0.000 1.238 757 Q HN 0.417 nan 8.270 nan 0.000 0.469 758 F N 2.617 122.638 119.950 0.118 0.000 3.090 758 F HA 0.195 4.722 4.527 -0.000 0.000 0.381 758 F C 0.100 175.881 175.800 -0.032 0.000 1.231 758 F CA -0.916 57.112 58.000 0.046 0.000 1.177 758 F CB 1.080 40.122 39.000 0.070 0.000 1.598 758 F HN 0.554 nan 8.300 nan 0.000 0.589 759 N N 2.800 121.562 118.700 0.103 0.000 2.294 759 N HA -0.022 4.718 4.740 -0.000 0.000 0.248 759 N C 0.822 176.298 175.510 -0.057 0.000 1.242 759 N CA 0.543 53.606 53.050 0.021 0.000 0.848 759 N CB 0.858 39.370 38.487 0.041 0.000 1.084 759 N HN 0.690 nan 8.380 nan 0.000 0.457 760 R N 2.293 122.695 120.500 -0.164 0.000 2.300 760 R HA 0.043 4.383 4.340 -0.000 0.000 0.199 760 R C 1.246 177.444 176.300 -0.170 0.000 0.920 760 R CA 0.458 56.401 56.100 -0.262 0.000 1.046 760 R CB 0.317 30.337 30.300 -0.466 0.000 0.984 760 R HN 0.667 nan 8.270 nan 0.000 0.493 761 Q N -0.125 119.612 119.800 -0.105 0.000 2.259 761 Q HA -0.001 4.339 4.340 -0.000 0.000 0.201 761 Q C 2.092 178.051 176.000 -0.067 0.000 0.938 761 Q CA 1.446 57.205 55.803 -0.075 0.000 0.872 761 Q CB 0.318 29.035 28.738 -0.036 0.000 0.971 761 Q HN 0.202 nan 8.270 nan 0.000 0.494 762 S N -0.603 115.074 115.700 -0.038 0.000 2.421 762 S HA 0.150 4.619 4.470 -0.000 0.000 0.224 762 S C 1.642 176.081 174.600 -0.268 0.000 1.035 762 S CA 0.682 58.882 58.200 0.000 0.000 0.953 762 S CB 0.094 63.416 63.200 0.203 0.000 0.810 762 S HN 0.492 nan 8.310 nan 0.000 0.497 763 G N 0.419 109.075 108.800 -0.239 0.000 2.136 763 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.242 763 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.242 763 G C -0.243 174.459 174.900 -0.329 0.000 0.989 763 G CA 0.245 45.147 45.100 -0.331 0.000 0.682 763 G HN 0.494 nan 8.290 nan 0.000 0.522 764 F N -0.952 119.160 119.950 0.269 0.000 2.532 764 F HA 0.635 5.162 4.527 -0.000 0.000 0.321 764 F C 0.421 176.222 175.800 0.002 0.000 1.089 764 F CA -1.712 56.418 58.000 0.217 0.000 0.926 764 F CB 1.544 40.639 39.000 0.158 0.000 1.168 764 F HN -0.006 nan 8.300 nan 0.000 0.459 765 L N 2.541 123.748 121.223 -0.026 0.000 2.827 765 L HA 0.049 4.389 4.340 -0.000 0.000 0.280 765 L C 0.921 177.656 176.870 -0.225 0.000 1.122 765 L CA 0.848 55.299 54.840 -0.649 0.000 1.044 765 L CB -0.411 41.371 42.059 -0.462 0.000 1.402 765 L HN 0.689 nan 8.230 nan 0.000 0.467 766 S N 2.441 118.035 115.700 -0.176 0.000 2.470 766 S HA 0.058 4.528 4.470 -0.000 0.000 0.225 766 S C 0.484 174.986 174.600 -0.163 0.000 1.006 766 S CA 0.618 58.771 58.200 -0.078 0.000 0.934 766 S CB -0.055 63.138 63.200 -0.012 0.000 0.778 766 S HN 0.761 nan 8.310 nan 0.000 0.517 767 Q N -0.414 119.237 119.800 -0.248 0.000 2.776 767 Q HA 0.609 4.949 4.340 -0.000 0.000 0.289 767 Q C -1.676 174.024 176.000 -0.500 0.000 0.912 767 Q CA -0.588 54.952 55.803 -0.438 0.000 0.789 767 Q CB 1.125 29.491 28.738 -0.620 0.000 1.498 767 Q HN 0.219 nan 8.270 nan 0.000 0.408 768 M N 1.023 120.180 119.600 -0.737 0.000 2.413 768 M HA 0.722 5.202 4.480 -0.000 0.000 0.287 768 M C -2.059 173.836 176.300 -0.675 0.000 1.186 768 M CA -0.233 54.727 55.300 -0.568 0.000 0.927 768 M CB 1.759 34.072 32.600 -0.479 0.000 1.715 768 M HN 0.564 nan 8.290 nan 0.000 0.478 769 W N 4.697 125.796 121.300 -0.334 0.000 2.666 769 W HA 0.621 5.281 4.660 -0.000 0.000 0.334 769 W C -1.252 175.072 176.519 -0.325 0.000 1.051 769 W CA -0.833 56.353 57.345 -0.265 0.000 1.224 769 W CB 1.873 31.213 29.460 -0.200 0.000 1.405 769 W HN 0.570 nan 8.180 nan 0.000 0.513 770 I N 3.452 124.008 120.570 -0.024 0.000 2.537 770 I HA 0.331 4.501 4.170 -0.000 0.000 0.276 770 I C 0.761 176.857 176.117 -0.035 0.000 1.063 770 I CA 0.115 61.357 61.300 -0.096 0.000 1.144 770 I CB 0.730 38.638 38.000 -0.152 0.000 1.252 770 I HN 0.745 nan 8.210 nan 0.000 0.480 771 G N 5.364 114.148 108.800 -0.027 0.000 2.552 771 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.267 771 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.267 771 G C 0.416 175.336 174.900 0.033 0.000 1.174 771 G CA 0.443 45.532 45.100 -0.019 0.000 0.955 771 G HN 0.601 nan 8.290 nan 0.000 0.546 772 D N 1.066 121.492 120.400 0.044 0.000 2.367 772 D HA 0.128 4.768 4.640 -0.000 0.000 0.207 772 D C 0.894 177.298 176.300 0.174 0.000 1.034 772 D CA 0.391 54.447 54.000 0.094 0.000 0.861 772 D CB 0.131 40.953 40.800 0.035 0.000 0.943 772 D HN 0.526 nan 8.370 nan 0.000 0.515 773 K N 1.796 122.251 120.400 0.090 0.000 2.338 773 K HA 0.148 4.468 4.320 -0.000 0.000 0.290 773 K C 0.105 176.672 176.600 -0.056 0.000 1.069 773 K CA -0.146 56.153 56.287 0.020 0.000 0.941 773 K CB 0.907 33.389 32.500 -0.029 0.000 1.023 773 K HN -0.002 nan 8.250 nan 0.000 0.477 774 K N 2.955 123.260 120.400 -0.158 0.000 2.412 774 K HA -0.014 4.306 4.320 -0.000 0.000 0.281 774 K C 0.715 177.117 176.600 -0.330 0.000 1.027 774 K CA -0.233 55.764 56.287 -0.483 0.000 0.989 774 K CB 0.754 32.995 32.500 -0.432 0.000 0.935 774 K HN 0.438 nan 8.250 nan 0.000 0.475 775 Q N 1.491 121.071 119.800 -0.367 0.000 2.402 775 Q HA 0.131 4.471 4.340 -0.000 0.000 0.206 775 Q C 0.562 176.480 176.000 -0.137 0.000 0.919 775 Q CA 0.705 56.410 55.803 -0.162 0.000 0.923 775 Q CB 0.170 28.882 28.738 -0.044 0.000 1.048 775 Q HN 0.531 nan 8.270 nan 0.000 0.515 776 L N -0.583 120.501 121.223 -0.232 0.000 2.323 776 L HA 0.440 4.780 4.340 -0.000 0.000 0.265 776 L C 0.814 177.556 176.870 -0.213 0.000 1.012 776 L CA -0.576 54.150 54.840 -0.189 0.000 0.820 776 L CB 1.410 43.366 42.059 -0.171 0.000 1.334 776 L HN -0.133 nan 8.230 nan 0.000 0.427 777 L N -0.102 120.987 121.223 -0.223 0.000 2.817 777 L HA 0.291 4.631 4.340 -0.000 0.000 0.248 777 L C -0.368 176.374 176.870 -0.213 0.000 1.133 777 L CA 0.550 55.259 54.840 -0.218 0.000 0.935 777 L CB 1.072 42.976 42.059 -0.258 0.000 1.266 777 L HN 0.718 nan 8.230 nan 0.000 0.535 778 T N -0.152 114.265 114.554 -0.228 0.000 2.982 778 T HA 0.333 4.683 4.350 -0.000 0.000 0.321 778 T C -2.733 171.890 174.700 -0.128 0.000 1.229 778 T CA -0.958 61.037 62.100 -0.175 0.000 1.044 778 T CB 2.470 71.178 68.868 -0.267 0.000 1.184 778 T HN -0.288 nan 8.240 nan 0.000 0.477 779 P HA 0.229 nan 4.420 nan 0.000 0.270 779 P C -0.614 176.658 177.300 -0.045 0.000 1.223 779 P CA -0.701 62.376 63.100 -0.038 0.000 0.785 779 P CB 0.460 32.172 31.700 0.019 0.000 0.923 780 L N 3.092 124.328 121.223 0.022 0.000 2.283 780 L HA 0.332 4.672 4.340 -0.000 0.000 0.287 780 L C 0.166 177.019 176.870 -0.029 0.000 1.073 780 L CA 0.140 55.016 54.840 0.060 0.000 0.822 780 L CB -0.168 42.031 42.059 0.233 0.000 1.186 780 L HN 0.348 nan 8.230 nan 0.000 0.436 781 R N 2.037 122.420 120.500 -0.195 0.000 2.888 781 R HA 0.606 4.946 4.340 -0.000 0.000 0.266 781 R C -1.099 175.033 176.300 -0.281 0.000 1.020 781 R CA -1.044 54.802 56.100 -0.423 0.000 0.963 781 R CB 0.705 30.525 30.300 -0.799 0.000 1.197 781 R HN 0.448 nan 8.270 nan 0.000 0.481 782 D N 1.073 121.310 120.400 -0.273 0.000 2.425 782 D HA 0.019 4.659 4.640 -0.000 0.000 0.247 782 D C -0.640 175.175 176.300 -0.808 0.000 1.147 782 D CA 0.430 54.149 54.000 -0.468 0.000 0.879 782 D CB 0.794 41.323 40.800 -0.452 0.000 1.179 782 D HN 0.295 nan 8.370 nan 0.000 0.456 783 Q N 1.930 121.131 119.800 -1.000 0.000 2.330 783 Q HA 0.359 4.699 4.340 -0.000 0.000 0.269 783 Q C -1.115 174.092 176.000 -1.321 0.000 1.022 783 Q CA -0.652 54.578 55.803 -0.955 0.000 0.796 783 Q CB 0.712 29.123 28.738 -0.544 0.000 1.271 783 Q HN 0.481 nan 8.270 nan 0.000 0.450 784 F N 1.296 120.790 119.950 -0.760 0.000 2.698 784 F HA 0.238 4.765 4.527 -0.000 0.000 0.304 784 F C 0.319 175.663 175.800 -0.760 0.000 1.108 784 F CA -0.153 57.307 58.000 -0.900 0.000 1.263 784 F CB 1.147 39.236 39.000 -1.519 0.000 1.013 784 F HN 0.475 nan 8.300 nan 0.000 0.532 785 T N -1.299 112.918 114.554 -0.561 0.000 2.812 785 T HA 0.778 5.128 4.350 -0.000 0.000 0.294 785 T C -0.805 173.639 174.700 -0.426 0.000 1.159 785 T CA -1.030 60.698 62.100 -0.621 0.000 1.008 785 T CB 3.079 71.524 68.868 -0.705 0.000 1.289 785 T HN 0.248 nan 8.240 nan 0.000 0.514 786 R N 0.079 120.378 120.500 -0.334 0.000 2.740 786 R HA 0.773 5.113 4.340 -0.000 0.000 0.273 786 R C -0.903 175.447 176.300 0.083 0.000 0.998 786 R CA -1.101 54.931 56.100 -0.114 0.000 0.900 786 R CB 1.601 31.859 30.300 -0.069 0.000 1.223 786 R HN 0.905 nan 8.270 nan 0.000 0.466 787 A N 3.685 126.543 122.820 0.063 0.000 2.484 787 A HA 0.321 4.641 4.320 -0.000 0.000 0.268 787 A C -2.031 175.616 177.584 0.105 0.000 1.114 787 A CA -1.329 50.749 52.037 0.068 0.000 0.780 787 A CB -0.423 18.559 19.000 -0.029 0.000 1.061 787 A HN 0.545 nan 8.150 nan 0.000 0.505 788 P HA 0.114 nan 4.420 nan 0.000 0.266 788 P C -0.464 176.927 177.300 0.153 0.000 1.193 788 P CA 0.401 63.639 63.100 0.230 0.000 0.770 788 P CB 0.338 32.189 31.700 0.251 0.000 0.836 789 L N 1.981 123.271 121.223 0.111 0.000 2.375 789 L HA 0.275 4.615 4.340 -0.000 0.000 0.268 789 L C 1.782 178.645 176.870 -0.011 0.000 1.058 789 L CA -0.641 54.206 54.840 0.011 0.000 0.803 789 L CB 0.206 42.205 42.059 -0.100 0.000 1.212 789 L HN 0.285 nan 8.230 nan 0.000 0.451 790 D N 0.661 120.992 120.400 -0.115 0.000 2.154 790 D HA -0.204 4.436 4.640 -0.000 0.000 0.190 790 D C 1.504 177.691 176.300 -0.188 0.000 1.003 790 D CA 1.735 55.573 54.000 -0.269 0.000 0.849 790 D CB -0.028 40.526 40.800 -0.410 0.000 0.942 790 D HN 0.541 nan 8.370 nan 0.000 0.446 791 N N 1.205 119.816 118.700 -0.149 0.000 2.272 791 N HA -0.132 4.608 4.740 -0.000 0.000 0.185 791 N C 1.255 176.749 175.510 -0.027 0.000 1.014 791 N CA 0.826 53.818 53.050 -0.098 0.000 0.870 791 N CB -0.276 38.147 38.487 -0.108 0.000 0.975 791 N HN 0.333 nan 8.380 nan 0.000 0.433 792 D N 0.716 121.117 120.400 0.002 0.000 2.123 792 D HA 0.000 4.640 4.640 -0.000 0.000 0.200 792 D C 2.129 178.455 176.300 0.044 0.000 0.976 792 D CA 0.558 54.594 54.000 0.060 0.000 0.831 792 D CB -0.036 40.857 40.800 0.155 0.000 0.974 792 D HN 0.327 nan 8.370 nan 0.000 0.469 793 I N 0.447 121.035 120.570 0.029 0.000 2.333 793 I HA 0.015 4.185 4.170 -0.000 0.000 0.246 793 I C 1.934 178.060 176.117 0.015 0.000 1.106 793 I CA 0.753 62.064 61.300 0.017 0.000 1.411 793 I CB -0.584 37.418 38.000 0.003 0.000 1.082 793 I HN 0.073 nan 8.210 nan 0.000 0.420 794 G N 1.436 110.244 108.800 0.012 0.000 2.561 794 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.289 794 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.289 794 G C 0.557 175.607 174.900 0.250 0.000 1.169 794 G CA 0.712 45.881 45.100 0.116 0.000 0.980 794 G HN 0.591 nan 8.290 nan 0.000 0.550 795 V N -2.092 117.962 119.914 0.233 0.000 3.170 795 V HA 0.676 4.796 4.120 -0.000 0.000 0.354 795 V C 0.984 177.140 176.094 0.103 0.000 1.350 795 V CA 0.881 63.313 62.300 0.219 0.000 1.244 795 V CB 0.173 32.044 31.823 0.080 0.000 1.222 795 V HN 1.013 nan 8.190 nan 0.000 0.478 796 S N 1.330 117.075 115.700 0.075 0.000 2.549 796 S HA 0.415 4.885 4.470 -0.000 0.000 0.279 796 S C -0.130 174.496 174.600 0.043 0.000 1.321 796 S CA 0.062 58.286 58.200 0.039 0.000 1.054 796 S CB 0.592 63.803 63.200 0.018 0.000 0.899 796 S HN 0.822 nan 8.310 nan 0.000 0.497 797 E N 1.126 121.346 120.200 0.033 0.000 2.383 797 E HA 0.534 4.884 4.350 -0.000 0.000 0.275 797 E C 0.518 177.136 176.600 0.031 0.000 0.918 797 E CA -0.558 55.865 56.400 0.038 0.000 0.764 797 E CB 1.576 31.300 29.700 0.039 0.000 1.252 797 E HN 0.609 nan 8.360 nan 0.000 0.449 798 A N 1.401 124.244 122.820 0.038 0.000 1.873 798 A HA -0.231 4.089 4.320 -0.000 0.000 0.218 798 A C 1.875 179.476 177.584 0.027 0.000 1.193 798 A CA 2.699 54.757 52.037 0.034 0.000 0.629 798 A CB -0.998 18.026 19.000 0.040 0.000 0.826 798 A HN 0.721 nan 8.150 nan 0.000 0.447 799 T N -0.387 114.183 114.554 0.028 0.000 2.614 799 T HA -0.076 4.274 4.350 -0.000 0.000 0.263 799 T C 0.955 175.663 174.700 0.013 0.000 1.055 799 T CA 1.500 63.613 62.100 0.021 0.000 1.162 799 T CB -0.201 68.680 68.868 0.021 0.000 0.863 799 T HN 0.406 nan 8.240 nan 0.000 0.414 800 R N 0.810 121.316 120.500 0.010 0.000 2.215 800 R HA 0.504 4.844 4.340 -0.000 0.000 0.337 800 R C -1.213 175.089 176.300 0.004 0.000 1.010 800 R CA -0.258 55.843 56.100 0.002 0.000 0.871 800 R CB 0.369 30.664 30.300 -0.008 0.000 1.134 800 R HN 0.217 nan 8.270 nan 0.000 0.477 801 I N 1.522 122.092 120.570 0.000 0.000 2.385 801 I HA 0.104 4.274 4.170 -0.000 0.000 0.294 801 I C 0.018 176.126 176.117 -0.015 0.000 0.988 801 I CA -0.208 61.090 61.300 -0.003 0.000 1.265 801 I CB 1.392 39.391 38.000 -0.001 0.000 1.388 801 I HN 0.418 nan 8.210 nan 0.000 0.480 802 D N 8.037 128.424 120.400 -0.020 0.000 2.479 802 D HA 0.313 4.953 4.640 -0.000 0.000 0.247 802 D C -1.833 174.430 176.300 -0.062 0.000 1.119 802 D CA -2.279 51.700 54.000 -0.035 0.000 0.922 802 D CB 1.156 41.941 40.800 -0.024 0.000 1.014 802 D HN 0.175 nan 8.370 nan 0.000 0.510 803 P HA -0.079 nan 4.420 nan 0.000 0.234 803 P C 0.335 177.550 177.300 -0.141 0.000 1.162 803 P CA 0.636 63.683 63.100 -0.088 0.000 0.759 803 P CB 0.354 32.011 31.700 -0.071 0.000 0.813 804 N N -0.790 117.819 118.700 -0.151 0.000 2.294 804 N HA 0.101 4.841 4.740 -0.000 0.000 0.186 804 N C 0.740 176.066 175.510 -0.306 0.000 1.107 804 N CA -0.021 52.896 53.050 -0.221 0.000 0.884 804 N CB 0.407 38.791 38.487 -0.172 0.000 1.030 804 N HN 0.094 nan 8.380 nan 0.000 0.482 805 A N 0.270 122.956 122.820 -0.223 0.000 2.407 805 A HA 0.119 4.439 4.320 -0.000 0.000 0.248 805 A C 0.747 178.136 177.584 -0.326 0.000 1.082 805 A CA -0.410 51.495 52.037 -0.220 0.000 0.785 805 A CB 0.150 19.093 19.000 -0.095 0.000 1.020 805 A HN 0.293 nan 8.150 nan 0.000 0.489 806 W N 1.713 122.744 121.300 -0.449 0.000 2.301 806 W HA -0.228 4.432 4.660 -0.000 0.000 0.325 806 W C 2.260 178.180 176.519 -0.998 0.000 1.250 806 W CA 1.873 58.671 57.345 -0.911 0.000 1.261 806 W CB -0.515 28.304 29.460 -1.069 0.000 1.157 806 W HN 0.529 nan 8.180 nan 0.000 0.473 807 V N 0.844 120.610 119.914 -0.246 0.000 2.370 807 V HA -0.315 3.805 4.120 -0.000 0.000 0.252 807 V C 2.217 178.376 176.094 0.109 0.000 1.068 807 V CA 2.196 64.587 62.300 0.152 0.000 1.061 807 V CB -0.453 31.478 31.823 0.181 0.000 0.656 807 V HN 0.142 nan 8.190 nan 0.000 0.455 808 E N -0.276 119.903 120.200 -0.036 0.000 2.152 808 E HA -0.137 4.213 4.350 -0.000 0.000 0.192 808 E C 2.367 178.942 176.600 -0.041 0.000 0.983 808 E CA 1.012 57.397 56.400 -0.026 0.000 0.818 808 E CB -0.224 29.437 29.700 -0.065 0.000 0.758 808 E HN 0.640 nan 8.360 nan 0.000 0.467 809 R N -0.558 119.851 120.500 -0.151 0.000 2.093 809 R HA -0.062 4.278 4.340 -0.000 0.000 0.224 809 R C 2.227 178.500 176.300 -0.045 0.000 1.101 809 R CA 0.703 56.709 56.100 -0.157 0.000 0.979 809 R CB -0.169 29.954 30.300 -0.295 0.000 0.877 809 R HN 0.207 nan 8.270 nan 0.000 0.441 810 W N 2.096 123.370 121.300 -0.044 0.000 2.354 810 W HA -0.071 4.589 4.660 -0.000 0.000 0.315 810 W C 2.019 178.550 176.519 0.019 0.000 1.206 810 W CA 0.578 57.836 57.345 -0.145 0.000 1.290 810 W CB -0.746 28.793 29.460 0.132 0.000 1.152 810 W HN 0.033 nan 8.180 nan 0.000 0.489 811 K N -0.151 120.491 120.400 0.403 0.000 2.063 811 K HA -0.129 4.191 4.320 -0.000 0.000 0.208 811 K C 2.067 178.753 176.600 0.144 0.000 1.048 811 K CA 1.761 58.230 56.287 0.304 0.000 0.928 811 K CB -0.601 32.003 32.500 0.173 0.000 0.713 811 K HN 0.039 nan 8.250 nan 0.000 0.442 812 A N 0.759 123.624 122.820 0.074 0.000 2.119 812 A HA 0.040 4.360 4.320 -0.000 0.000 0.217 812 A C 2.062 179.640 177.584 -0.010 0.000 1.153 812 A CA 1.405 53.462 52.037 0.034 0.000 0.692 812 A CB -0.191 18.816 19.000 0.011 0.000 0.799 812 A HN 0.318 nan 8.150 nan 0.000 0.458 813 A N -2.216 120.578 122.820 -0.043 0.000 2.195 813 A HA 0.437 4.757 4.320 -0.000 0.000 0.210 813 A C 1.804 179.250 177.584 -0.231 0.000 1.165 813 A CA 1.267 53.262 52.037 -0.071 0.000 0.806 813 A CB -0.413 18.548 19.000 -0.064 0.000 0.847 813 A HN 1.665 nan 8.150 nan 0.000 0.482 814 G N -1.411 107.224 108.800 -0.275 0.000 2.259 814 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.217 814 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.217 814 G C 0.814 175.789 174.900 0.126 0.000 1.001 814 G CA 0.537 45.350 45.100 -0.479 0.000 0.627 814 G HN 0.660 nan 8.290 nan 0.000 0.501 815 H N -0.772 118.310 119.070 0.019 0.000 2.414 815 H HA -0.280 4.276 4.556 -0.000 0.000 0.290 815 H C 2.178 177.458 175.328 -0.080 0.000 1.125 815 H CA 1.949 58.003 56.048 0.009 0.000 1.207 815 H CB -0.103 29.591 29.762 -0.113 0.000 1.356 815 H HN 0.601 nan 8.280 nan 0.000 0.494 816 Y N 0.208 120.643 120.300 0.225 0.000 2.475 816 Y HA -0.047 4.503 4.550 -0.000 0.000 0.289 816 Y C 1.500 177.499 175.900 0.165 0.000 1.121 816 Y CA 0.746 58.938 58.100 0.154 0.000 1.257 816 Y CB 0.509 39.046 38.460 0.128 0.000 1.026 816 Y HN 0.190 nan 8.280 nan 0.000 0.555 817 Q N -0.368 119.628 119.800 0.326 0.000 2.141 817 Q HA 0.414 4.754 4.340 -0.000 0.000 0.248 817 Q C -0.078 176.150 176.000 0.381 0.000 0.834 817 Q CA -0.338 55.657 55.803 0.320 0.000 1.096 817 Q CB 0.989 29.912 28.738 0.307 0.000 1.189 817 Q HN 0.198 nan 8.270 nan 0.000 0.471 818 A N 1.343 124.407 122.820 0.407 0.000 2.351 818 A HA 0.281 4.601 4.320 -0.000 0.000 0.257 818 A C -0.125 177.746 177.584 0.478 0.000 1.087 818 A CA -0.257 52.071 52.037 0.484 0.000 0.798 818 A CB 0.430 19.762 19.000 0.553 0.000 1.033 818 A HN 0.255 nan 8.150 nan 0.000 0.488 819 E N 1.078 121.492 120.200 0.356 0.000 2.151 819 E HA 0.496 4.846 4.350 -0.000 0.000 0.275 819 E C -0.118 176.495 176.600 0.021 0.000 0.936 819 E CA -0.578 55.951 56.400 0.215 0.000 0.777 819 E CB 1.665 31.445 29.700 0.133 0.000 1.108 819 E HN 0.730 nan 8.360 nan 0.000 0.401 820 A N 2.538 125.230 122.820 -0.213 0.000 2.366 820 A HA 0.590 4.910 4.320 -0.000 0.000 0.249 820 A C -0.215 177.221 177.584 -0.247 0.000 1.084 820 A CA -0.074 51.535 52.037 -0.713 0.000 0.794 820 A CB 0.556 19.116 19.000 -0.733 0.000 1.034 820 A HN 0.673 nan 8.150 nan 0.000 0.491 821 A N 1.146 123.830 122.820 -0.226 0.000 2.442 821 A HA 0.516 4.836 4.320 -0.000 0.000 0.284 821 A C -0.757 176.763 177.584 -0.107 0.000 1.058 821 A CA -0.557 51.425 52.037 -0.093 0.000 0.738 821 A CB 0.672 19.636 19.000 -0.060 0.000 1.242 821 A HN 1.120 nan 8.150 nan 0.000 0.421 822 L N 3.845 124.976 121.223 -0.153 0.000 2.774 822 L HA 0.080 4.420 4.340 -0.000 0.000 0.279 822 L C 0.914 177.658 176.870 -0.210 0.000 1.137 822 L CA 0.141 54.795 54.840 -0.310 0.000 1.021 822 L CB -0.746 41.145 42.059 -0.280 0.000 1.366 822 L HN 0.825 nan 8.230 nan 0.000 0.471 823 L N 3.396 124.500 121.223 -0.199 0.000 2.341 823 L HA 0.046 4.386 4.340 -0.000 0.000 0.214 823 L C 0.845 177.654 176.870 -0.102 0.000 1.115 823 L CA 0.411 55.189 54.840 -0.104 0.000 0.820 823 L CB 0.010 42.041 42.059 -0.047 0.000 0.944 823 L HN 0.799 nan 8.230 nan 0.000 0.452 824 Q N -1.015 118.692 119.800 -0.155 0.000 2.736 824 Q HA 0.275 4.615 4.340 -0.000 0.000 0.273 824 Q C -1.931 173.990 176.000 -0.132 0.000 0.948 824 Q CA -0.823 54.915 55.803 -0.109 0.000 0.854 824 Q CB 1.940 30.645 28.738 -0.056 0.000 1.569 824 Q HN -0.019 nan 8.270 nan 0.000 0.405 825 C N 2.419 121.680 119.300 -0.066 0.000 2.947 825 C HA 0.861 5.321 4.460 -0.000 0.000 0.401 825 C C -1.439 173.605 174.990 0.090 0.000 1.019 825 C CA 0.820 59.829 59.018 -0.014 0.000 1.230 825 C CB 0.912 28.620 27.740 -0.054 0.000 1.644 825 C HN 0.953 nan 8.230 nan 0.000 0.523 826 T N 2.914 117.508 114.554 0.067 0.000 2.923 826 T HA 0.845 5.195 4.350 -0.000 0.000 0.311 826 T C -0.636 173.917 174.700 -0.245 0.000 1.183 826 T CA 0.146 62.249 62.100 0.005 0.000 1.020 826 T CB 1.623 70.471 68.868 -0.034 0.000 1.165 826 T HN 2.066 nan 8.240 nan 0.000 0.482 827 A N 2.235 124.728 122.820 -0.545 0.000 2.355 827 A HA 0.845 5.165 4.320 -0.000 0.000 0.324 827 A C -0.977 176.354 177.584 -0.423 0.000 1.117 827 A CA -0.629 50.980 52.037 -0.713 0.000 0.785 827 A CB 1.269 19.403 19.000 -1.442 0.000 1.254 827 A HN 0.910 nan 8.150 nan 0.000 0.453 828 D N 0.790 121.000 120.400 -0.318 0.000 2.931 828 D HA 0.276 4.916 4.640 -0.000 0.000 0.215 828 D C -1.155 175.042 176.300 -0.172 0.000 1.297 828 D CA -0.086 53.791 54.000 -0.206 0.000 0.892 828 D CB 2.188 42.902 40.800 -0.143 0.000 1.642 828 D HN 0.452 nan 8.370 nan 0.000 0.560 829 T N 2.249 116.721 114.554 -0.137 0.000 2.817 829 T HA 0.416 4.766 4.350 -0.000 0.000 0.293 829 T C 0.277 174.933 174.700 -0.072 0.000 0.964 829 T CA -0.316 61.723 62.100 -0.103 0.000 1.085 829 T CB 0.881 69.702 68.868 -0.077 0.000 0.921 829 T HN 0.109 nan 8.240 nan 0.000 0.502 830 L N 1.679 122.864 121.223 -0.063 0.000 2.304 830 L HA 0.632 4.972 4.340 -0.000 0.000 0.268 830 L C 1.631 178.483 176.870 -0.030 0.000 1.010 830 L CA -0.472 54.341 54.840 -0.045 0.000 0.813 830 L CB 0.608 42.638 42.059 -0.047 0.000 1.315 830 L HN 0.699 nan 8.230 nan 0.000 0.445 831 A N 0.098 122.906 122.820 -0.021 0.000 2.032 831 A HA -0.175 4.145 4.320 -0.000 0.000 0.221 831 A C 0.648 178.226 177.584 -0.009 0.000 1.165 831 A CA 2.235 54.266 52.037 -0.011 0.000 0.645 831 A CB -0.761 18.234 19.000 -0.007 0.000 0.807 831 A HN 0.845 nan 8.150 nan 0.000 0.453 832 D N -3.216 117.175 120.400 -0.016 0.000 2.594 832 D HA 0.570 5.210 4.640 -0.000 0.000 0.256 832 D C -0.007 176.279 176.300 -0.025 0.000 1.393 832 D CA 0.582 54.574 54.000 -0.014 0.000 0.797 832 D CB -0.003 40.791 40.800 -0.010 0.000 1.110 832 D HN 0.555 nan 8.370 nan 0.000 0.495 833 A N -0.555 122.243 122.820 -0.036 0.000 2.544 833 A HA 0.601 4.921 4.320 -0.000 0.000 0.291 833 A C -1.632 175.905 177.584 -0.078 0.000 1.055 833 A CA -0.800 51.203 52.037 -0.056 0.000 0.651 833 A CB 0.776 19.744 19.000 -0.054 0.000 1.296 833 A HN 0.028 nan 8.150 nan 0.000 0.431 834 V N 0.363 120.210 119.914 -0.112 0.000 2.612 834 V HA 0.686 4.806 4.120 -0.000 0.000 0.301 834 V C -0.578 175.422 176.094 -0.155 0.000 1.046 834 V CA -0.415 61.797 62.300 -0.147 0.000 0.946 834 V CB 1.404 33.120 31.823 -0.179 0.000 1.003 834 V HN 0.922 nan 8.190 nan 0.000 0.459 835 L N 5.715 126.834 121.223 -0.172 0.000 2.372 835 L HA 0.645 4.985 4.340 -0.000 0.000 0.273 835 L C -1.019 175.727 176.870 -0.206 0.000 0.989 835 L CA -0.091 54.661 54.840 -0.146 0.000 0.841 835 L CB 1.220 43.220 42.059 -0.098 0.000 1.225 835 L HN 0.427 nan 8.230 nan 0.000 0.414 836 I N 3.419 123.866 120.570 -0.205 0.000 2.392 836 I HA 0.602 4.772 4.170 -0.000 0.000 0.295 836 I C 0.282 176.375 176.117 -0.039 0.000 0.985 836 I CA -0.695 60.440 61.300 -0.276 0.000 1.221 836 I CB 1.309 38.913 38.000 -0.659 0.000 1.366 836 I HN 0.501 nan 8.210 nan 0.000 0.467 837 T N 4.288 118.817 114.554 -0.042 0.000 2.881 837 T HA 0.605 4.955 4.350 -0.000 0.000 0.291 837 T C -0.144 174.591 174.700 0.059 0.000 0.990 837 T CA -0.521 61.605 62.100 0.043 0.000 0.976 837 T CB 1.327 70.194 68.868 -0.002 0.000 0.970 837 T HN 0.886 nan 8.240 nan 0.000 0.438 838 T N 0.395 115.032 114.554 0.137 0.000 2.907 838 T HA 0.885 5.235 4.350 -0.000 0.000 0.292 838 T C -1.027 173.737 174.700 0.107 0.000 1.043 838 T CA -0.943 61.212 62.100 0.091 0.000 1.003 838 T CB 1.940 70.905 68.868 0.162 0.000 1.084 838 T HN 0.697 nan 8.240 nan 0.000 0.483 839 A N 2.249 125.058 122.820 -0.019 0.000 2.402 839 A HA 0.754 5.074 4.320 -0.000 0.000 0.291 839 A C -1.332 176.219 177.584 -0.055 0.000 1.051 839 A CA -0.768 51.304 52.037 0.058 0.000 0.716 839 A CB 0.723 19.745 19.000 0.036 0.000 1.223 839 A HN 1.002 nan 8.150 nan 0.000 0.425 840 H N 0.279 119.394 119.070 0.074 0.000 2.894 840 H HA 0.845 5.401 4.556 -0.000 0.000 0.368 840 H C -0.146 175.198 175.328 0.026 0.000 1.181 840 H CA -0.056 55.966 56.048 -0.044 0.000 1.146 840 H CB 2.078 31.705 29.762 -0.224 0.000 1.839 840 H HN 0.954 nan 8.280 nan 0.000 0.557 841 A N 1.177 124.022 122.820 0.042 0.000 2.359 841 A HA 0.397 4.717 4.320 -0.000 0.000 0.303 841 A C -1.430 176.140 177.584 -0.022 0.000 1.066 841 A CA -0.729 51.377 52.037 0.115 0.000 0.730 841 A CB 1.057 20.115 19.000 0.098 0.000 1.211 841 A HN 0.540 nan 8.150 nan 0.000 0.439 842 W N 2.326 123.779 121.300 0.256 0.000 2.331 842 W HA 0.408 5.068 4.660 -0.000 0.000 0.306 842 W C -0.152 176.470 176.519 0.170 0.000 1.162 842 W CA 0.023 57.531 57.345 0.271 0.000 1.232 842 W CB 1.399 31.122 29.460 0.438 0.000 1.235 842 W HN 0.732 nan 8.180 nan 0.000 0.479 843 Q N 1.499 121.480 119.800 0.301 0.000 2.458 843 Q HA 0.387 4.727 4.340 -0.000 0.000 0.282 843 Q C -0.890 175.273 176.000 0.272 0.000 1.106 843 Q CA -0.856 55.081 55.803 0.224 0.000 0.814 843 Q CB 3.579 32.394 28.738 0.129 0.000 1.425 843 Q HN 0.354 nan 8.270 nan 0.000 0.437 844 H N 1.505 120.643 119.070 0.113 0.000 3.096 844 H HA 0.090 4.646 4.556 -0.000 0.000 0.335 844 H C -1.064 174.314 175.328 0.084 0.000 0.990 844 H CA -0.141 55.976 56.048 0.114 0.000 1.393 844 H CB 1.061 30.904 29.762 0.136 0.000 1.742 844 H HN 0.789 nan 8.280 nan 0.000 0.501 845 Q N 3.327 122.946 119.800 -0.302 0.000 2.431 845 Q HA -0.265 4.075 4.340 -0.000 0.000 0.344 845 Q C 1.075 177.066 176.000 -0.015 0.000 1.384 845 Q CA 1.272 56.977 55.803 -0.164 0.000 0.984 845 Q CB -1.308 27.323 28.738 -0.179 0.000 1.204 845 Q HN 1.179 nan 8.270 nan 0.000 0.392 846 G N -0.558 108.245 108.800 0.005 0.000 2.268 846 G HA2 -0.393 3.567 3.960 -0.000 0.000 0.240 846 G HA3 -0.393 3.567 3.960 -0.000 0.000 0.240 846 G C 0.159 175.087 174.900 0.047 0.000 1.010 846 G CA 0.421 45.537 45.100 0.027 0.000 0.618 846 G HN 0.470 nan 8.290 nan 0.000 0.516 847 K N 1.274 121.717 120.400 0.071 0.000 2.110 847 K HA 0.624 4.944 4.320 -0.000 0.000 0.263 847 K C -0.372 176.274 176.600 0.077 0.000 0.975 847 K CA 0.025 56.355 56.287 0.072 0.000 0.895 847 K CB 0.886 33.435 32.500 0.082 0.000 1.060 847 K HN 0.032 nan 8.250 nan 0.000 0.448 848 T N 5.422 120.003 114.554 0.044 0.000 2.781 848 T HA 0.230 4.580 4.350 -0.000 0.000 0.305 848 T C 1.174 175.838 174.700 -0.060 0.000 1.001 848 T CA -0.641 61.482 62.100 0.039 0.000 0.950 848 T CB 0.463 69.360 68.868 0.049 0.000 0.955 848 T HN 0.492 nan 8.240 nan 0.000 0.471 849 L N 1.831 122.951 121.223 -0.171 0.000 2.034 849 L HA 0.245 4.585 4.340 -0.000 0.000 0.203 849 L C 0.040 176.407 176.870 -0.839 0.000 1.074 849 L CA 1.307 55.768 54.840 -0.632 0.000 0.748 849 L CB -0.204 41.221 42.059 -1.056 0.000 0.905 849 L HN 0.520 nan 8.230 nan 0.000 0.439 850 F N -1.172 118.721 119.950 -0.095 0.000 2.588 850 F HA 0.578 5.105 4.527 -0.000 0.000 0.310 850 F C -0.454 175.459 175.800 0.188 0.000 1.082 850 F CA -0.879 57.021 58.000 -0.167 0.000 0.929 850 F CB 1.483 39.980 39.000 -0.837 0.000 1.254 850 F HN -0.276 nan 8.300 nan 0.000 0.455 851 I N 1.538 122.334 120.570 0.377 0.000 2.406 851 I HA 0.412 4.582 4.170 -0.000 0.000 0.290 851 I C -0.545 175.845 176.117 0.455 0.000 0.999 851 I CA -0.397 61.145 61.300 0.403 0.000 1.124 851 I CB 2.020 40.169 38.000 0.249 0.000 1.289 851 I HN 0.634 nan 8.210 nan 0.000 0.441 852 S N 6.882 122.943 115.700 0.602 0.000 2.456 852 S HA 0.594 5.064 4.470 -0.000 0.000 0.316 852 S C -0.615 174.232 174.600 0.412 0.000 1.089 852 S CA -0.664 57.868 58.200 0.554 0.000 1.101 852 S CB 0.539 64.193 63.200 0.756 0.000 0.995 852 S HN 0.550 nan 8.310 nan 0.000 0.468 853 R N 3.730 124.403 120.500 0.289 0.000 2.435 853 R HA 0.440 4.780 4.340 -0.000 0.000 0.308 853 R C -0.501 175.886 176.300 0.145 0.000 0.975 853 R CA -0.674 55.554 56.100 0.212 0.000 0.867 853 R CB 1.637 32.034 30.300 0.161 0.000 1.171 853 R HN 0.618 nan 8.270 nan 0.000 0.470 854 K N 0.481 120.963 120.400 0.135 0.000 2.312 854 K HA 0.621 4.941 4.320 -0.000 0.000 0.236 854 K C -0.454 176.150 176.600 0.006 0.000 1.079 854 K CA -0.981 55.306 56.287 0.000 0.000 0.900 854 K CB 1.832 34.241 32.500 -0.153 0.000 1.297 854 K HN 0.437 nan 8.250 nan 0.000 0.498 855 T N -1.012 113.477 114.554 -0.108 0.000 3.293 855 T HA 0.406 4.756 4.350 -0.000 0.000 0.320 855 T C -1.504 173.170 174.700 -0.043 0.000 0.995 855 T CA -0.857 61.240 62.100 -0.005 0.000 1.041 855 T CB 0.089 68.962 68.868 0.008 0.000 1.058 855 T HN 0.409 nan 8.240 nan 0.000 0.453 856 Y N 1.636 121.923 120.300 -0.021 0.000 2.387 856 Y HA 0.782 5.332 4.550 -0.000 0.000 0.336 856 Y C 0.698 176.547 175.900 -0.085 0.000 1.067 856 Y CA -1.886 56.210 58.100 -0.007 0.000 1.114 856 Y CB 1.312 39.831 38.460 0.100 0.000 1.208 856 Y HN 0.779 nan 8.280 nan 0.000 0.458 857 R N 3.856 124.404 120.500 0.081 0.000 2.575 857 R HA 0.480 4.820 4.340 -0.000 0.000 0.292 857 R C -1.894 174.360 176.300 -0.077 0.000 1.246 857 R CA -0.268 55.819 56.100 -0.022 0.000 0.973 857 R CB 0.442 30.735 30.300 -0.011 0.000 1.187 857 R HN 0.853 nan 8.270 nan 0.000 0.478 858 I N 4.327 124.783 120.570 -0.190 0.000 2.352 858 I HA 0.192 4.362 4.170 -0.000 0.000 0.290 858 I C 0.214 176.207 176.117 -0.207 0.000 1.036 858 I CA -0.545 60.557 61.300 -0.329 0.000 1.336 858 I CB 0.892 38.495 38.000 -0.661 0.000 1.407 858 I HN 0.587 nan 8.210 nan 0.000 0.497 859 D N 4.428 124.748 120.400 -0.134 0.000 2.506 859 D HA 0.275 4.915 4.640 -0.000 0.000 0.254 859 D C 1.196 177.480 176.300 -0.027 0.000 1.089 859 D CA -0.688 53.272 54.000 -0.067 0.000 1.050 859 D CB 1.060 41.838 40.800 -0.037 0.000 1.221 859 D HN 0.495 nan 8.370 nan 0.000 0.589 860 G N -0.495 108.296 108.800 -0.016 0.000 2.469 860 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.220 860 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.220 860 G C 1.280 176.182 174.900 0.003 0.000 1.136 860 G CA 1.453 46.550 45.100 -0.004 0.000 0.759 860 G HN 0.507 nan 8.290 nan 0.000 0.562 861 S N 0.088 115.785 115.700 -0.005 0.000 2.399 861 S HA 0.203 4.673 4.470 -0.000 0.000 0.231 861 S C 1.925 176.557 174.600 0.054 0.000 1.022 861 S CA 1.278 59.482 58.200 0.007 0.000 0.983 861 S CB -0.322 62.884 63.200 0.009 0.000 0.803 861 S HN 1.613 nan 8.310 nan 0.000 0.480 862 G N 0.865 109.712 108.800 0.079 0.000 2.141 862 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.195 862 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.195 862 G C -0.409 174.601 174.900 0.183 0.000 1.012 862 G CA -0.474 44.740 45.100 0.189 0.000 0.696 862 G HN 0.501 nan 8.290 nan 0.000 0.508 863 Q N -0.245 119.604 119.800 0.080 0.000 2.307 863 Q HA 0.619 4.959 4.340 -0.000 0.000 0.262 863 Q C 0.243 176.257 176.000 0.025 0.000 0.961 863 Q CA -0.522 55.331 55.803 0.085 0.000 0.882 863 Q CB 1.884 30.666 28.738 0.072 0.000 1.264 863 Q HN 0.471 nan 8.270 nan 0.000 0.446 864 M N 2.218 121.858 119.600 0.066 0.000 2.144 864 M HA 0.542 5.022 4.480 -0.000 0.000 0.356 864 M C -1.292 175.087 176.300 0.132 0.000 1.217 864 M CA -0.335 54.985 55.300 0.033 0.000 1.087 864 M CB 0.725 33.328 32.600 0.004 0.000 1.609 864 M HN 0.701 nan 8.290 nan 0.000 0.467 865 A N 7.557 130.433 122.820 0.093 0.000 2.291 865 A HA 0.688 5.008 4.320 -0.000 0.000 0.311 865 A C -0.857 176.765 177.584 0.063 0.000 1.224 865 A CA -0.812 51.282 52.037 0.094 0.000 0.821 865 A CB 0.518 19.557 19.000 0.065 0.000 1.172 865 A HN 0.905 nan 8.150 nan 0.000 0.494 866 I N 1.557 122.149 120.570 0.036 0.000 2.412 866 I HA 0.470 4.640 4.170 -0.000 0.000 0.296 866 I C -0.231 175.785 176.117 -0.169 0.000 0.987 866 I CA -0.320 60.904 61.300 -0.125 0.000 1.180 866 I CB 1.901 39.838 38.000 -0.105 0.000 1.340 866 I HN 0.445 nan 8.210 nan 0.000 0.455 867 T N 5.407 119.817 114.554 -0.239 0.000 2.906 867 T HA 0.463 4.813 4.350 -0.000 0.000 0.302 867 T C -0.424 174.112 174.700 -0.273 0.000 1.002 867 T CA -0.353 61.619 62.100 -0.213 0.000 0.988 867 T CB 1.609 70.443 68.868 -0.056 0.000 0.972 867 T HN 0.286 nan 8.240 nan 0.000 0.447 868 V N 3.479 123.113 119.914 -0.468 0.000 2.495 868 V HA 0.588 4.708 4.120 -0.000 0.000 0.298 868 V C -0.592 175.402 176.094 -0.167 0.000 1.031 868 V CA -0.863 61.192 62.300 -0.410 0.000 0.871 868 V CB 2.022 33.292 31.823 -0.921 0.000 0.988 868 V HN 0.817 nan 8.190 nan 0.000 0.432 869 D N 2.565 123.018 120.400 0.089 0.000 2.473 869 D HA 0.567 5.207 4.640 -0.000 0.000 0.253 869 D C -0.688 175.772 176.300 0.267 0.000 1.233 869 D CA -0.082 54.071 54.000 0.255 0.000 0.908 869 D CB 2.040 42.999 40.800 0.265 0.000 1.170 869 D HN 0.341 nan 8.370 nan 0.000 0.558 870 V N 1.979 122.090 119.914 0.329 0.000 2.834 870 V HA 0.508 4.628 4.120 -0.000 0.000 0.313 870 V C 0.139 176.382 176.094 0.248 0.000 1.060 870 V CA -0.648 61.835 62.300 0.304 0.000 0.989 870 V CB 1.968 33.983 31.823 0.319 0.000 1.041 870 V HN 0.439 nan 8.190 nan 0.000 0.459 871 E N 1.060 121.383 120.200 0.205 0.000 2.246 871 E HA 0.604 4.954 4.350 -0.000 0.000 0.266 871 E C -1.831 174.846 176.600 0.129 0.000 0.880 871 E CA -0.415 56.077 56.400 0.153 0.000 0.762 871 E CB 2.408 32.186 29.700 0.130 0.000 1.180 871 E HN 0.457 nan 8.360 nan 0.000 0.416 872 V N 2.223 122.201 119.914 0.107 0.000 2.448 872 V HA 0.469 4.589 4.120 -0.000 0.000 0.295 872 V C 0.055 176.156 176.094 0.012 0.000 1.025 872 V CA -0.952 61.379 62.300 0.051 0.000 0.859 872 V CB 1.529 33.416 31.823 0.107 0.000 0.988 872 V HN 0.826 nan 8.190 nan 0.000 0.431 873 A N 3.287 126.069 122.820 -0.063 0.000 2.524 873 A HA 0.311 4.631 4.320 -0.000 0.000 0.250 873 A C 1.704 179.308 177.584 0.033 0.000 1.078 873 A CA 0.615 52.637 52.037 -0.024 0.000 0.761 873 A CB 0.267 19.234 19.000 -0.055 0.000 1.012 873 A HN 1.393 nan 8.150 nan 0.000 0.500 874 S N 1.782 117.511 115.700 0.047 0.000 2.407 874 S HA -0.207 4.263 4.470 -0.000 0.000 0.235 874 S C 0.887 175.548 174.600 0.102 0.000 1.036 874 S CA 1.676 59.922 58.200 0.078 0.000 1.013 874 S CB -0.387 62.847 63.200 0.056 0.000 0.820 874 S HN 0.849 nan 8.310 nan 0.000 0.476 875 D N 0.421 120.862 120.400 0.068 0.000 2.706 875 D HA 0.260 4.900 4.640 -0.000 0.000 0.236 875 D C -0.051 176.291 176.300 0.069 0.000 1.231 875 D CA -0.193 53.845 54.000 0.063 0.000 0.828 875 D CB -0.146 40.678 40.800 0.039 0.000 1.015 875 D HN 0.235 nan 8.370 nan 0.000 0.484 876 T N 0.051 114.675 114.554 0.116 0.000 2.912 876 T HA 0.443 4.793 4.350 -0.000 0.000 0.299 876 T C -2.879 171.983 174.700 0.269 0.000 1.052 876 T CA -1.792 60.400 62.100 0.155 0.000 0.996 876 T CB 1.490 70.440 68.868 0.137 0.000 1.070 876 T HN -0.219 nan 8.240 nan 0.000 0.465 877 P HA 0.059 nan 4.420 nan 0.000 0.263 877 P C -0.486 177.222 177.300 0.681 0.000 1.168 877 P CA 0.097 63.387 63.100 0.315 0.000 0.759 877 P CB 0.082 31.936 31.700 0.256 0.000 0.782 878 H N 3.574 123.021 119.070 0.628 0.000 3.001 878 H HA 0.070 4.626 4.556 -0.000 0.000 0.334 878 H C -1.816 173.837 175.328 0.542 0.000 1.034 878 H CA -1.667 54.676 56.048 0.492 0.000 1.420 878 H CB -1.036 28.960 29.762 0.391 0.000 1.405 878 H HN 0.330 nan 8.280 nan 0.000 0.593 879 P HA 0.079 nan 4.420 nan 0.000 0.274 879 P C 0.340 177.510 177.300 -0.217 0.000 1.231 879 P CA -0.258 62.861 63.100 0.033 0.000 0.790 879 P CB 0.848 32.505 31.700 -0.072 0.000 0.951 880 A N 3.662 126.092 122.820 -0.650 0.000 1.902 880 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 880 A C 1.075 178.301 177.584 -0.595 0.000 1.181 880 A CA 1.535 53.182 52.037 -0.650 0.000 0.623 880 A CB -0.550 17.912 19.000 -0.897 0.000 0.818 880 A HN 0.762 nan 8.150 nan 0.000 0.443 881 R N -3.028 117.130 120.500 -0.570 0.000 2.733 881 R HA 0.732 5.072 4.340 -0.000 0.000 0.272 881 R C -1.816 174.259 176.300 -0.375 0.000 1.029 881 R CA -0.830 54.948 56.100 -0.536 0.000 0.888 881 R CB 0.761 30.631 30.300 -0.716 0.000 1.251 881 R HN 0.017 nan 8.270 nan 0.000 0.464 882 I N 1.180 121.569 120.570 -0.301 0.000 2.521 882 I HA 0.618 4.788 4.170 -0.000 0.000 0.277 882 I C -0.375 175.548 176.117 -0.325 0.000 1.054 882 I CA -0.226 60.949 61.300 -0.208 0.000 1.117 882 I CB 1.796 39.719 38.000 -0.128 0.000 1.217 882 I HN 0.978 nan 8.210 nan 0.000 0.469 883 G N 5.676 114.232 108.800 -0.407 0.000 2.578 883 G HA2 0.740 4.700 3.960 -0.000 0.000 0.302 883 G HA3 0.740 4.700 3.960 -0.000 0.000 0.302 883 G C -1.754 172.976 174.900 -0.285 0.000 1.243 883 G CA -0.554 44.346 45.100 -0.332 0.000 0.843 883 G HN 0.249 nan 8.290 nan 0.000 0.486 884 L N 0.953 122.048 121.223 -0.214 0.000 2.376 884 L HA 0.662 5.002 4.340 -0.000 0.000 0.258 884 L C -0.974 175.779 176.870 -0.195 0.000 1.013 884 L CA -1.098 53.632 54.840 -0.183 0.000 0.822 884 L CB 2.647 44.669 42.059 -0.062 0.000 1.388 884 L HN 0.831 nan 8.230 nan 0.000 0.413 885 N N 0.672 119.282 118.700 -0.151 0.000 2.484 885 N HA 0.674 5.414 4.740 -0.000 0.000 0.269 885 N C -1.370 174.130 175.510 -0.017 0.000 1.237 885 N CA -0.591 52.407 53.050 -0.087 0.000 0.838 885 N CB 2.278 40.737 38.487 -0.045 0.000 1.593 885 N HN 0.818 nan 8.380 nan 0.000 0.485 886 C N -1.067 118.231 119.300 -0.002 0.000 3.285 886 C HA 0.565 5.025 4.460 -0.000 0.000 0.325 886 C C -0.724 174.090 174.990 -0.294 0.000 1.304 886 C CA -0.873 58.099 59.018 -0.078 0.000 1.319 886 C CB 1.216 28.935 27.740 -0.035 0.000 1.640 886 C HN 0.830 nan 8.230 nan 0.000 0.477 887 Q N 1.639 121.051 119.800 -0.647 0.000 2.360 887 Q HA 0.590 4.930 4.340 -0.000 0.000 0.254 887 Q C -0.931 174.785 176.000 -0.472 0.000 0.975 887 Q CA -0.319 54.898 55.803 -0.976 0.000 0.912 887 Q CB 0.611 28.276 28.738 -1.790 0.000 1.212 887 Q HN 0.768 nan 8.270 nan 0.000 0.452 888 L N 2.675 123.724 121.223 -0.290 0.000 2.417 888 L HA 0.226 4.566 4.340 -0.000 0.000 0.268 888 L C 1.099 177.891 176.870 -0.130 0.000 1.158 888 L CA -0.128 54.643 54.840 -0.115 0.000 0.819 888 L CB 0.751 42.836 42.059 0.042 0.000 1.112 888 L HN 0.765 nan 8.230 nan 0.000 0.458 889 A N 1.710 124.475 122.820 -0.092 0.000 2.169 889 A HA -0.015 4.305 4.320 -0.000 0.000 0.212 889 A C 0.914 178.467 177.584 -0.051 0.000 1.153 889 A CA 0.201 52.181 52.037 -0.095 0.000 0.756 889 A CB -0.210 18.727 19.000 -0.104 0.000 0.813 889 A HN 0.775 nan 8.150 nan 0.000 0.471 890 Q N -0.000 119.795 119.800 -0.008 0.000 2.340 890 Q HA 0.465 4.804 4.340 -0.000 0.000 0.249 890 Q C -1.161 174.827 176.000 -0.020 0.000 0.957 890 Q CA 0.130 55.917 55.803 -0.026 0.000 0.882 890 Q CB 1.096 29.824 28.738 -0.015 0.000 1.235 890 Q HN 0.085 nan 8.270 nan 0.000 0.439 891 V N 3.253 123.125 119.914 -0.071 0.000 2.447 891 V HA 0.810 4.930 4.120 -0.000 0.000 0.292 891 V C -0.633 175.404 176.094 -0.096 0.000 1.021 891 V CA -0.191 62.101 62.300 -0.014 0.000 0.850 891 V CB 0.909 32.734 31.823 0.003 0.000 1.005 891 V HN 0.942 nan 8.190 nan 0.000 0.426 892 A N 3.136 125.881 122.820 -0.125 0.000 2.344 892 A HA 0.857 5.177 4.320 -0.000 0.000 0.307 892 A C 0.712 178.347 177.584 0.085 0.000 1.151 892 A CA -0.359 51.590 52.037 -0.148 0.000 0.842 892 A CB 1.473 20.191 19.000 -0.469 0.000 1.350 892 A HN 0.683 nan 8.150 nan 0.000 0.459 893 E N -0.106 120.125 120.200 0.051 0.000 2.046 893 E HA -0.008 4.342 4.350 -0.000 0.000 0.190 893 E C 0.859 177.541 176.600 0.137 0.000 0.982 893 E CA 1.439 57.887 56.400 0.080 0.000 0.800 893 E CB 0.072 29.797 29.700 0.041 0.000 0.756 893 E HN 0.584 nan 8.360 nan 0.000 0.449 894 R N -1.609 118.997 120.500 0.177 0.000 3.150 894 R HA 0.692 5.032 4.340 -0.000 0.000 0.236 894 R C -1.136 175.364 176.300 0.334 0.000 1.469 894 R CA -1.020 55.209 56.100 0.214 0.000 1.045 894 R CB 1.662 32.059 30.300 0.162 0.000 1.481 894 R HN -0.193 nan 8.270 nan 0.000 0.506 895 V N 1.291 121.385 119.914 0.300 0.000 2.777 895 V HA 0.302 4.422 4.120 -0.000 0.000 0.306 895 V C -1.196 175.144 176.094 0.410 0.000 1.112 895 V CA -0.969 61.533 62.300 0.338 0.000 0.917 895 V CB 1.976 33.940 31.823 0.235 0.000 1.018 895 V HN 0.771 nan 8.190 nan 0.000 0.426 896 N N 3.750 122.680 118.700 0.384 0.000 2.249 896 N HA 0.629 5.369 4.740 -0.000 0.000 0.296 896 N C -1.430 174.333 175.510 0.422 0.000 1.051 896 N CA -0.434 52.820 53.050 0.340 0.000 0.815 896 N CB 3.147 41.729 38.487 0.158 0.000 1.487 896 N HN 0.818 nan 8.380 nan 0.000 0.475 897 W N 2.823 124.168 121.300 0.076 0.000 3.146 897 W HA 0.588 5.248 4.660 -0.000 0.000 0.319 897 W C -2.353 174.133 176.519 -0.055 0.000 1.258 897 W CA -1.072 56.306 57.345 0.055 0.000 1.189 897 W CB 0.655 30.215 29.460 0.167 0.000 1.412 897 W HN 0.318 nan 8.180 nan 0.000 0.567 898 L N 4.029 125.206 121.223 -0.076 0.000 2.318 898 L HA 0.945 5.285 4.340 -0.000 0.000 0.277 898 L C -0.018 176.735 176.870 -0.195 0.000 1.008 898 L CA 0.419 55.024 54.840 -0.392 0.000 0.846 898 L CB 0.999 42.876 42.059 -0.304 0.000 1.220 898 L HN 1.090 nan 8.230 nan 0.000 0.423 899 G N 3.779 112.370 108.800 -0.348 0.000 2.392 899 G HA2 0.208 4.168 3.960 -0.000 0.000 0.260 899 G HA3 0.208 4.168 3.960 -0.000 0.000 0.260 899 G C -1.648 173.374 174.900 0.205 0.000 1.226 899 G CA -1.014 44.119 45.100 0.055 0.000 0.913 899 G HN 0.460 nan 8.290 nan 0.000 0.483 900 L N 1.196 122.626 121.223 0.344 0.000 2.331 900 L HA 0.647 4.987 4.340 -0.000 0.000 0.278 900 L C 0.988 177.971 176.870 0.189 0.000 1.106 900 L CA 0.483 55.463 54.840 0.234 0.000 0.824 900 L CB 0.642 42.766 42.059 0.109 0.000 1.142 900 L HN 1.125 nan 8.230 nan 0.000 0.443 901 G N 2.827 111.550 108.800 -0.129 0.000 2.427 901 G HA2 0.325 4.285 3.960 -0.000 0.000 0.306 901 G HA3 0.325 4.285 3.960 -0.000 0.000 0.306 901 G C -2.761 171.439 174.900 -1.167 0.000 1.280 901 G CA -0.329 44.368 45.100 -0.671 0.000 0.837 901 G HN 0.278 nan 8.290 nan 0.000 0.482 902 P HA 0.085 nan 4.420 nan 0.000 0.226 902 P C 0.455 177.519 177.300 -0.394 0.000 1.161 902 P CA 0.582 63.064 63.100 -1.030 0.000 0.804 902 P CB 0.261 31.481 31.700 -0.801 0.000 0.829 903 Q N 1.009 120.586 119.800 -0.372 0.000 2.417 903 Q HA 0.048 4.388 4.340 -0.000 0.000 0.241 903 Q C 0.527 176.380 176.000 -0.245 0.000 1.008 903 Q CA -0.194 55.461 55.803 -0.248 0.000 0.901 903 Q CB 0.579 29.202 28.738 -0.192 0.000 1.259 903 Q HN 0.273 nan 8.270 nan 0.000 0.489 904 E N 1.710 121.775 120.200 -0.224 0.000 2.608 904 E HA -0.132 4.218 4.350 -0.000 0.000 0.259 904 E C -0.986 175.500 176.600 -0.189 0.000 0.951 904 E CA 0.312 56.570 56.400 -0.237 0.000 0.945 904 E CB 0.264 29.893 29.700 -0.118 0.000 0.916 904 E HN 0.622 nan 8.360 nan 0.000 0.477 905 N N 2.465 120.968 118.700 -0.328 0.000 2.455 905 N HA 0.473 5.213 4.740 -0.000 0.000 0.278 905 N C -1.753 173.456 175.510 -0.501 0.000 1.291 905 N CA -0.731 52.181 53.050 -0.230 0.000 0.780 905 N CB 0.856 39.244 38.487 -0.165 0.000 1.520 905 N HN 0.372 nan 8.380 nan 0.000 0.486 906 Y N -2.003 118.201 120.300 -0.159 0.000 2.615 906 Y HA 0.457 5.007 4.550 -0.000 0.000 0.341 906 Y C -1.855 173.980 175.900 -0.109 0.000 1.089 906 Y CA -1.926 56.068 58.100 -0.177 0.000 1.049 906 Y CB 1.921 40.259 38.460 -0.204 0.000 1.296 906 Y HN 0.420 nan 8.280 nan 0.000 0.470 907 P HA -0.164 nan 4.420 nan 0.000 0.215 907 P C 0.634 177.951 177.300 0.028 0.000 1.157 907 P CA 2.221 65.406 63.100 0.143 0.000 0.874 907 P CB 0.199 32.077 31.700 0.296 0.000 0.790 908 D N -1.789 118.386 120.400 -0.375 0.000 2.363 908 D HA -0.079 4.561 4.640 -0.000 0.000 0.220 908 D C 0.856 177.000 176.300 -0.261 0.000 0.994 908 D CA 0.507 54.008 54.000 -0.832 0.000 0.890 908 D CB -0.389 39.601 40.800 -1.350 0.000 0.906 908 D HN 0.152 nan 8.370 nan 0.000 0.530 909 R N 0.640 121.094 120.500 -0.077 0.000 2.639 909 R HA 0.273 4.613 4.340 -0.000 0.000 0.273 909 R C -0.622 175.700 176.300 0.037 0.000 1.732 909 R CA -0.211 55.891 56.100 0.004 0.000 1.586 909 R CB 0.180 30.480 30.300 0.000 0.000 1.263 909 R HN 0.102 nan 8.270 nan 0.000 0.615 910 L N -1.077 120.177 121.223 0.053 0.000 3.515 910 L HA 0.264 4.604 4.340 -0.000 0.000 0.322 910 L C 1.421 178.322 176.870 0.050 0.000 1.225 910 L CA -0.012 54.848 54.840 0.034 0.000 1.104 910 L CB 0.082 42.155 42.059 0.023 0.000 1.506 910 L HN 0.147 nan 8.230 nan 0.000 0.624 911 T N -1.874 112.738 114.554 0.096 0.000 2.803 911 T HA -0.125 4.225 4.350 -0.000 0.000 0.269 911 T C 1.780 176.442 174.700 -0.064 0.000 1.052 911 T CA 1.563 63.727 62.100 0.106 0.000 1.136 911 T CB -0.391 68.621 68.868 0.241 0.000 0.864 911 T HN 0.426 nan 8.240 nan 0.000 0.467 912 A N 1.409 124.229 122.820 0.000 0.000 2.168 912 A HA 0.609 4.928 4.320 -0.000 0.000 0.215 912 A C 1.549 179.140 177.584 0.013 0.000 1.152 912 A CA 0.584 52.587 52.037 -0.058 0.000 0.716 912 A CB -0.840 18.249 19.000 0.147 0.000 0.794 912 A HN 0.876 nan 8.150 nan 0.000 0.465 913 A N -0.756 122.048 122.820 -0.027 0.000 2.328 913 A HA 0.485 4.805 4.320 -0.000 0.000 0.284 913 A C -0.126 177.447 177.584 -0.020 0.000 1.160 913 A CA -0.318 51.689 52.037 -0.050 0.000 0.818 913 A CB -0.070 18.895 19.000 -0.058 0.000 1.087 913 A HN 0.384 nan 8.150 nan 0.000 0.504 914 C N 2.152 121.432 119.300 -0.034 0.000 2.341 914 C HA 0.483 4.942 4.460 -0.000 0.000 0.338 914 C C 0.129 175.169 174.990 0.083 0.000 1.257 914 C CA -0.417 58.605 59.018 0.007 0.000 1.883 914 C CB -0.203 27.535 27.740 -0.003 0.000 2.334 914 C HN 0.774 nan 8.230 nan 0.000 0.524 915 F N 4.612 124.360 119.950 -0.337 0.000 2.438 915 F HA 0.488 5.015 4.527 -0.000 0.000 0.356 915 F C 0.380 175.849 175.800 -0.552 0.000 1.099 915 F CA 1.109 58.811 58.000 -0.497 0.000 1.185 915 F CB 0.050 38.316 39.000 -1.224 0.000 1.115 915 F HN 0.677 nan 8.300 nan 0.000 0.526 916 D N 3.591 123.343 120.400 -1.080 0.000 2.918 916 D HA 0.113 4.753 4.640 -0.000 0.000 0.342 916 D C -1.645 173.716 176.300 -1.565 0.000 1.403 916 D CA -0.753 52.543 54.000 -1.174 0.000 0.776 916 D CB 1.186 41.372 40.800 -1.023 0.000 1.365 916 D HN 0.549 nan 8.370 nan 0.000 0.468 917 R N 0.700 120.333 120.500 -1.446 0.000 2.234 917 R HA 0.512 4.852 4.340 -0.000 0.000 0.324 917 R C -1.194 174.171 176.300 -1.558 0.000 1.054 917 R CA -0.214 55.137 56.100 -1.248 0.000 0.912 917 R CB 0.368 30.237 30.300 -0.718 0.000 1.030 917 R HN 0.264 nan 8.270 nan 0.000 0.455 918 W N 3.153 123.874 121.300 -0.965 0.000 2.656 918 W HA 0.327 4.987 4.660 -0.000 0.000 0.327 918 W C -0.804 175.360 176.519 -0.593 0.000 1.041 918 W CA -0.843 55.860 57.345 -1.070 0.000 1.229 918 W CB 1.750 29.902 29.460 -2.179 0.000 1.397 918 W HN 0.474 nan 8.180 nan 0.000 0.479 919 D N 3.571 123.961 120.400 -0.017 0.000 2.549 919 D HA 0.663 5.303 4.640 -0.000 0.000 0.251 919 D C -1.074 175.341 176.300 0.192 0.000 1.153 919 D CA -0.126 53.950 54.000 0.127 0.000 0.861 919 D CB 0.859 41.684 40.800 0.041 0.000 1.207 919 D HN 0.327 nan 8.370 nan 0.000 0.543 920 L N 3.190 124.581 121.223 0.280 0.000 2.409 920 L HA 0.669 5.009 4.340 -0.000 0.000 0.255 920 L C -2.372 174.602 176.870 0.174 0.000 1.027 920 L CA -2.417 52.548 54.840 0.209 0.000 0.834 920 L CB 2.201 44.398 42.059 0.231 0.000 1.426 920 L HN 0.215 nan 8.230 nan 0.000 0.411 921 P HA 0.083 nan 4.420 nan 0.000 0.275 921 P C 0.525 177.883 177.300 0.098 0.000 1.228 921 P CA -0.407 62.754 63.100 0.101 0.000 0.786 921 P CB 0.849 32.589 31.700 0.068 0.000 0.927 922 L N 2.616 123.901 121.223 0.104 0.000 2.197 922 L HA -0.217 4.123 4.340 -0.000 0.000 0.215 922 L C 2.173 179.070 176.870 0.045 0.000 1.095 922 L CA 1.982 56.864 54.840 0.071 0.000 0.764 922 L CB -1.211 40.903 42.059 0.091 0.000 0.897 922 L HN 0.283 nan 8.230 nan 0.000 0.436 923 S N -0.409 115.323 115.700 0.054 0.000 2.359 923 S HA -0.184 4.286 4.470 -0.000 0.000 0.224 923 S C 1.324 175.960 174.600 0.061 0.000 1.035 923 S CA 1.563 59.801 58.200 0.062 0.000 1.018 923 S CB -0.363 62.867 63.200 0.049 0.000 0.876 923 S HN 0.586 nan 8.310 nan 0.000 0.448 924 D N 0.953 121.370 120.400 0.027 0.000 2.378 924 D HA 0.022 4.662 4.640 -0.000 0.000 0.227 924 D C 0.925 177.195 176.300 -0.049 0.000 1.012 924 D CA 0.494 54.485 54.000 -0.015 0.000 0.905 924 D CB -0.093 40.706 40.800 -0.003 0.000 0.895 924 D HN 0.389 nan 8.370 nan 0.000 0.532 925 M N -0.437 119.147 119.600 -0.027 0.000 2.453 925 M HA 0.106 4.586 4.480 -0.000 0.000 0.239 925 M C -0.254 176.023 176.300 -0.040 0.000 1.151 925 M CA -0.131 55.109 55.300 -0.100 0.000 0.989 925 M CB -0.355 32.165 32.600 -0.133 0.000 1.548 925 M HN -0.062 nan 8.290 nan 0.000 0.479 926 Y N 0.138 120.364 120.300 -0.124 0.000 2.391 926 Y HA 0.454 5.004 4.550 -0.000 0.000 0.341 926 Y C -0.807 174.995 175.900 -0.164 0.000 0.965 926 Y CA -0.781 57.257 58.100 -0.103 0.000 1.067 926 Y CB 1.502 39.960 38.460 -0.003 0.000 1.199 926 Y HN -0.143 nan 8.280 nan 0.000 0.450 927 T N 9.439 123.485 114.554 -0.847 0.000 2.853 927 T HA 0.252 4.602 4.350 -0.000 0.000 0.317 927 T C -2.545 171.342 174.700 -1.355 0.000 1.059 927 T CA -1.454 60.044 62.100 -1.002 0.000 0.954 927 T CB 0.704 69.058 68.868 -0.856 0.000 0.994 927 T HN 0.439 nan 8.240 nan 0.000 0.479 928 P HA 0.024 nan 4.420 nan 0.000 0.246 928 P C -0.526 176.575 177.300 -0.333 0.000 1.675 928 P CA -0.337 62.287 63.100 -0.794 0.000 0.908 928 P CB -0.747 30.614 31.700 -0.566 0.000 1.890 929 Y N -0.235 119.965 120.300 -0.166 0.000 2.717 929 Y HA -0.097 4.453 4.550 -0.000 0.000 0.330 929 Y C 2.251 178.172 175.900 0.034 0.000 1.217 929 Y CA -0.090 57.990 58.100 -0.032 0.000 1.506 929 Y CB -0.044 38.350 38.460 -0.110 0.000 1.268 929 Y HN -0.113 nan 8.280 nan 0.000 0.561 930 V N 3.627 123.724 119.914 0.305 0.000 2.324 930 V HA -0.308 3.812 4.120 -0.000 0.000 0.250 930 V C 0.650 176.889 176.094 0.242 0.000 1.060 930 V CA 1.619 64.073 62.300 0.257 0.000 1.042 930 V CB -0.687 31.313 31.823 0.295 0.000 0.650 930 V HN 0.618 nan 8.190 nan 0.000 0.450 931 F N 3.361 123.313 119.950 0.003 0.000 2.334 931 F HA 0.558 5.085 4.527 -0.000 0.000 0.367 931 F C -2.507 173.269 175.800 -0.039 0.000 1.115 931 F CA -3.469 54.478 58.000 -0.087 0.000 1.116 931 F CB 0.919 39.740 39.000 -0.297 0.000 1.230 931 F HN -0.034 nan 8.300 nan 0.000 0.484 932 P HA 0.315 nan 4.420 nan 0.000 0.275 932 P C -1.075 175.979 177.300 -0.410 0.000 1.228 932 P CA -0.052 62.853 63.100 -0.324 0.000 0.786 932 P CB 1.489 33.040 31.700 -0.249 0.000 0.927 933 S N -0.381 115.243 115.700 -0.127 0.000 2.703 933 S HA 0.407 4.877 4.470 -0.000 0.000 0.273 933 S C -0.784 173.820 174.600 0.007 0.000 1.178 933 S CA -0.931 57.224 58.200 -0.074 0.000 0.838 933 S CB 0.375 63.560 63.200 -0.025 0.000 1.178 933 S HN 0.331 nan 8.310 nan 0.000 0.494 934 E N 1.348 121.559 120.200 0.017 0.000 2.652 934 E HA 0.315 4.665 4.350 -0.000 0.000 0.255 934 E C -0.204 176.451 176.600 0.091 0.000 0.952 934 E CA 0.905 57.339 56.400 0.056 0.000 0.947 934 E CB -0.580 29.178 29.700 0.097 0.000 0.912 934 E HN 0.777 nan 8.360 nan 0.000 0.489 935 N N 2.108 120.885 118.700 0.129 0.000 2.823 935 N HA 0.569 5.309 4.740 -0.000 0.000 0.251 935 N C 0.387 175.941 175.510 0.074 0.000 1.392 935 N CA -0.452 52.704 53.050 0.176 0.000 0.864 935 N CB 1.223 39.798 38.487 0.147 0.000 1.481 935 N HN 0.625 nan 8.380 nan 0.000 0.508 936 G N -0.786 108.016 108.800 0.002 0.000 2.284 936 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.230 936 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.230 936 G C 0.029 174.682 174.900 -0.410 0.000 1.021 936 G CA 0.033 45.024 45.100 -0.181 0.000 0.619 936 G HN 0.739 nan 8.290 nan 0.000 0.510 937 L N 1.396 122.323 121.223 -0.493 0.000 2.552 937 L HA 0.292 4.631 4.340 -0.000 0.000 0.315 937 L C 0.876 177.212 176.870 -0.890 0.000 1.301 937 L CA 1.231 55.574 54.840 -0.829 0.000 0.840 937 L CB 0.262 41.541 42.059 -1.299 0.000 1.067 937 L HN 0.555 nan 8.230 nan 0.000 0.558 938 R N 2.047 121.994 120.500 -0.923 0.000 2.536 938 R HA 0.429 4.769 4.340 -0.000 0.000 0.269 938 R C -1.519 174.495 176.300 -0.476 0.000 1.113 938 R CA -0.703 54.964 56.100 -0.723 0.000 0.948 938 R CB 0.400 30.202 30.300 -0.829 0.000 1.237 938 R HN 0.550 nan 8.270 nan 0.000 0.441 939 C N -0.198 118.940 119.300 -0.270 0.000 2.401 939 C HA 0.756 5.216 4.460 -0.000 0.000 0.356 939 C C 1.371 176.355 174.990 -0.010 0.000 1.192 939 C CA 0.362 59.296 59.018 -0.140 0.000 2.028 939 C CB 1.226 28.893 27.740 -0.121 0.000 2.344 939 C HN 1.090 nan 8.230 nan 0.000 0.525 940 G N 2.067 110.866 108.800 -0.002 0.000 2.295 940 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.287 940 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.287 940 G C -0.097 174.870 174.900 0.112 0.000 1.055 940 G CA 0.431 45.575 45.100 0.073 0.000 0.922 940 G HN 0.826 nan 8.290 nan 0.000 0.503 941 T N -0.074 114.423 114.554 -0.095 0.000 2.771 941 T HA 0.470 4.820 4.350 -0.000 0.000 0.291 941 T C 1.507 175.940 174.700 -0.445 0.000 0.954 941 T CA -0.418 61.586 62.100 -0.160 0.000 1.045 941 T CB 1.481 70.246 68.868 -0.172 0.000 0.917 941 T HN 0.321 nan 8.240 nan 0.000 0.484 942 R N 1.349 121.794 120.500 -0.093 0.000 2.225 942 R HA 0.235 4.575 4.340 -0.000 0.000 0.194 942 R C 0.566 176.898 176.300 0.054 0.000 0.957 942 R CA 0.301 56.396 56.100 -0.009 0.000 1.042 942 R CB 0.680 31.093 30.300 0.188 0.000 1.004 942 R HN 0.596 nan 8.270 nan 0.000 0.509 943 E N 0.912 121.168 120.200 0.094 0.000 2.304 943 E HA 0.233 4.583 4.350 -0.000 0.000 0.277 943 E C -1.985 174.760 176.600 0.241 0.000 0.898 943 E CA -0.595 55.921 56.400 0.193 0.000 0.764 943 E CB 1.866 31.644 29.700 0.130 0.000 1.216 943 E HN -0.118 nan 8.360 nan 0.000 0.419 944 L N 4.449 125.861 121.223 0.315 0.000 2.406 944 L HA 0.539 4.879 4.340 -0.000 0.000 0.272 944 L C -1.918 175.161 176.870 0.349 0.000 0.980 944 L CA -0.483 54.505 54.840 0.246 0.000 0.831 944 L CB 1.527 43.556 42.059 -0.050 0.000 1.253 944 L HN 0.367 nan 8.230 nan 0.000 0.406 945 N N 4.750 123.619 118.700 0.282 0.000 2.372 945 N HA 0.366 5.106 4.740 -0.000 0.000 0.285 945 N C -1.788 173.949 175.510 0.378 0.000 1.008 945 N CA -0.248 52.975 53.050 0.288 0.000 0.880 945 N CB 1.735 40.325 38.487 0.170 0.000 1.239 945 N HN 0.561 nan 8.380 nan 0.000 0.484 946 Y N 1.593 122.052 120.300 0.265 0.000 2.333 946 Y HA 0.482 5.032 4.550 -0.000 0.000 0.324 946 Y C 0.704 176.724 175.900 0.200 0.000 1.033 946 Y CA -0.029 58.206 58.100 0.225 0.000 1.224 946 Y CB 0.405 39.021 38.460 0.261 0.000 1.120 946 Y HN 0.898 nan 8.280 nan 0.000 0.457 947 G N 6.705 115.463 108.800 -0.070 0.000 2.547 947 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.271 947 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.271 947 G C -1.600 173.241 174.900 -0.098 0.000 1.209 947 G CA -0.121 44.885 45.100 -0.157 0.000 0.959 947 G HN 0.476 nan 8.290 nan 0.000 0.563 948 P HA -0.069 nan 4.420 nan 0.000 0.216 948 P C 0.806 177.923 177.300 -0.306 0.000 1.150 948 P CA 1.976 64.899 63.100 -0.294 0.000 0.843 948 P CB -0.366 31.028 31.700 -0.510 0.000 0.787 949 H N -0.568 118.439 119.070 -0.104 0.000 2.745 949 H HA 0.368 4.924 4.556 -0.000 0.000 0.373 949 H C 0.770 175.886 175.328 -0.353 0.000 1.226 949 H CA 0.136 56.003 56.048 -0.302 0.000 1.435 949 H CB 0.054 29.426 29.762 -0.650 0.000 1.461 949 H HN 0.085 nan 8.280 nan 0.000 0.616 950 Q N 1.386 120.891 119.800 -0.492 0.000 2.380 950 Q HA 0.177 4.517 4.340 -0.000 0.000 0.245 950 Q C -2.087 173.688 176.000 -0.375 0.000 0.893 950 Q CA -0.593 55.053 55.803 -0.262 0.000 0.922 950 Q CB 1.129 29.844 28.738 -0.038 0.000 1.432 950 Q HN 0.633 nan 8.270 nan 0.000 0.434 951 W N 3.514 124.793 121.300 -0.035 0.000 2.578 951 W HA 0.701 5.361 4.660 -0.000 0.000 0.346 951 W C 0.013 176.621 176.519 0.148 0.000 1.075 951 W CA -0.943 56.372 57.345 -0.049 0.000 1.233 951 W CB 2.058 31.332 29.460 -0.309 0.000 1.358 951 W HN 0.583 nan 8.180 nan 0.000 0.574 952 R N 0.161 120.929 120.500 0.446 0.000 2.707 952 R HA 0.697 5.037 4.340 -0.000 0.000 0.272 952 R C -0.066 176.514 176.300 0.467 0.000 1.011 952 R CA -0.611 55.736 56.100 0.412 0.000 0.893 952 R CB 2.160 32.611 30.300 0.252 0.000 1.233 952 R HN 0.771 nan 8.270 nan 0.000 0.464 953 G N 0.752 109.790 108.800 0.395 0.000 2.384 953 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.150 953 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.150 953 G C -1.744 173.259 174.900 0.172 0.000 1.269 953 G CA -0.361 44.941 45.100 0.336 0.000 1.094 953 G HN 0.493 nan 8.290 nan 0.000 0.467 954 D N 0.426 120.944 120.400 0.196 0.000 2.472 954 D HA 0.584 5.224 4.640 -0.000 0.000 0.248 954 D C -0.719 175.568 176.300 -0.023 0.000 1.271 954 D CA -0.288 53.701 54.000 -0.018 0.000 0.888 954 D CB 0.275 41.102 40.800 0.045 0.000 1.337 954 D HN 0.518 nan 8.370 nan 0.000 0.526 955 F N -0.292 119.655 119.950 -0.006 0.000 2.894 955 F HA 0.643 5.170 4.527 -0.000 0.000 0.332 955 F C -0.929 174.839 175.800 -0.052 0.000 1.192 955 F CA -1.043 56.895 58.000 -0.105 0.000 0.980 955 F CB 0.613 39.538 39.000 -0.125 0.000 1.448 955 F HN -0.151 nan 8.300 nan 0.000 0.514 956 Q N 1.368 121.296 119.800 0.215 0.000 2.387 956 Q HA 0.683 5.023 4.340 -0.000 0.000 0.273 956 Q C -1.506 174.638 176.000 0.240 0.000 1.089 956 Q CA -0.522 55.347 55.803 0.110 0.000 0.824 956 Q CB 2.951 31.622 28.738 -0.111 0.000 1.367 956 Q HN 0.931 nan 8.270 nan 0.000 0.443 957 F N -0.941 118.934 119.950 -0.124 0.000 2.745 957 F HA 0.773 5.300 4.527 -0.000 0.000 0.316 957 F C -1.987 173.620 175.800 -0.321 0.000 1.155 957 F CA -0.994 56.874 58.000 -0.221 0.000 0.937 957 F CB 1.506 40.369 39.000 -0.227 0.000 1.361 957 F HN 0.687 nan 8.300 nan 0.000 0.472 958 N N 1.151 119.746 118.700 -0.176 0.000 2.396 958 N HA 0.686 5.426 4.740 -0.000 0.000 0.275 958 N C -2.175 173.314 175.510 -0.034 0.000 1.218 958 N CA -0.693 52.184 53.050 -0.288 0.000 0.812 958 N CB 2.472 40.793 38.487 -0.277 0.000 1.592 958 N HN 1.153 nan 8.380 nan 0.000 0.480 959 I N 0.646 121.165 120.570 -0.085 0.000 2.627 959 I HA 0.637 4.807 4.170 -0.000 0.000 0.288 959 I C -1.552 174.483 176.117 -0.137 0.000 1.202 959 I CA 0.060 61.286 61.300 -0.124 0.000 1.050 959 I CB 1.168 39.049 38.000 -0.199 0.000 1.264 959 I HN 1.035 nan 8.210 nan 0.000 0.429 960 S N 6.155 121.792 115.700 -0.105 0.000 2.636 960 S HA 0.503 4.973 4.470 -0.000 0.000 0.268 960 S C -0.022 174.458 174.600 -0.199 0.000 1.159 960 S CA -1.043 57.075 58.200 -0.136 0.000 0.815 960 S CB 1.709 64.872 63.200 -0.062 0.000 1.130 960 S HN 0.662 nan 8.310 nan 0.000 0.471 961 R N 0.314 120.529 120.500 -0.474 0.000 2.386 961 R HA 0.138 4.478 4.340 -0.000 0.000 0.216 961 R C -0.868 174.983 176.300 -0.748 0.000 1.119 961 R CA 0.440 56.184 56.100 -0.594 0.000 1.158 961 R CB -1.450 28.446 30.300 -0.674 0.000 1.057 961 R HN 0.632 nan 8.270 nan 0.000 0.489 962 Y N -0.989 119.247 120.300 -0.107 0.000 2.457 962 Y HA 0.237 4.787 4.550 -0.000 0.000 0.343 962 Y C 0.511 176.127 175.900 -0.474 0.000 0.994 962 Y CA -1.435 56.502 58.100 -0.272 0.000 1.031 962 Y CB 1.128 39.372 38.460 -0.361 0.000 1.246 962 Y HN -0.097 nan 8.280 nan 0.000 0.449 963 S N 1.086 116.387 115.700 -0.666 0.000 2.608 963 S HA 0.094 4.564 4.470 -0.000 0.000 0.261 963 S C 0.729 175.008 174.600 -0.534 0.000 1.314 963 S CA -0.741 56.797 58.200 -1.105 0.000 0.992 963 S CB 0.933 63.364 63.200 -1.281 0.000 0.935 963 S HN 0.728 nan 8.310 nan 0.000 0.564 964 Q N 0.113 119.620 119.800 -0.487 0.000 2.297 964 Q HA -0.108 4.232 4.340 -0.000 0.000 0.204 964 Q C 2.085 177.948 176.000 -0.228 0.000 0.962 964 Q CA 0.977 56.620 55.803 -0.267 0.000 0.879 964 Q CB -0.341 28.278 28.738 -0.198 0.000 0.947 964 Q HN 0.873 nan 8.270 nan 0.000 0.462 965 Q N 0.835 120.458 119.800 -0.295 0.000 2.049 965 Q HA -0.162 4.178 4.340 -0.000 0.000 0.198 965 Q C 1.969 177.872 176.000 -0.161 0.000 0.971 965 Q CA 0.989 56.681 55.803 -0.186 0.000 0.833 965 Q CB 0.133 28.785 28.738 -0.142 0.000 0.896 965 Q HN 0.395 nan 8.270 nan 0.000 0.434 966 Q N 0.306 119.990 119.800 -0.193 0.000 1.985 966 Q HA -0.194 4.146 4.340 -0.000 0.000 0.207 966 Q C 2.445 178.338 176.000 -0.179 0.000 0.996 966 Q CA 1.826 57.536 55.803 -0.155 0.000 0.851 966 Q CB -0.279 28.351 28.738 -0.181 0.000 0.921 966 Q HN 0.451 nan 8.270 nan 0.000 0.418 967 L N 0.225 121.322 121.223 -0.210 0.000 2.054 967 L HA -0.290 4.050 4.340 -0.000 0.000 0.220 967 L C 2.670 179.409 176.870 -0.218 0.000 1.081 967 L CA 1.907 56.616 54.840 -0.218 0.000 0.780 967 L CB -0.539 41.416 42.059 -0.172 0.000 0.893 967 L HN 0.496 nan 8.230 nan 0.000 0.438 968 M N -0.794 118.706 119.600 -0.167 0.000 2.659 968 M HA -0.083 4.397 4.480 -0.000 0.000 0.243 968 M C 1.103 177.322 176.300 -0.135 0.000 1.111 968 M CA 1.404 56.616 55.300 -0.148 0.000 1.070 968 M CB 0.081 32.623 32.600 -0.098 0.000 1.525 968 M HN 0.200 nan 8.290 nan 0.000 0.517 969 E N -0.785 119.338 120.200 -0.129 0.000 2.541 969 E HA 0.142 4.492 4.350 -0.000 0.000 0.219 969 E C -0.307 176.247 176.600 -0.077 0.000 0.922 969 E CA 0.002 56.352 56.400 -0.083 0.000 1.095 969 E CB 0.791 30.458 29.700 -0.055 0.000 1.112 969 E HN 0.261 nan 8.360 nan 0.000 0.516 970 T N 1.922 116.402 114.554 -0.123 0.000 2.811 970 T HA 0.046 4.396 4.350 -0.000 0.000 0.309 970 T C 1.303 175.927 174.700 -0.127 0.000 1.005 970 T CA -0.053 61.983 62.100 -0.106 0.000 0.955 970 T CB 1.072 69.856 68.868 -0.141 0.000 0.970 970 T HN 0.150 nan 8.240 nan 0.000 0.496 971 S N 3.082 118.785 115.700 0.005 0.000 2.383 971 S HA -0.144 4.325 4.470 -0.000 0.000 0.229 971 S C 0.494 175.146 174.600 0.086 0.000 1.030 971 S CA 0.913 59.173 58.200 0.099 0.000 1.002 971 S CB -0.375 63.010 63.200 0.307 0.000 0.829 971 S HN 0.738 nan 8.310 nan 0.000 0.467 972 H N 0.296 119.444 119.070 0.131 0.000 2.495 972 H HA 0.555 5.111 4.556 -0.000 0.000 0.348 972 H C 1.032 176.440 175.328 0.133 0.000 1.113 972 H CA -0.492 55.696 56.048 0.233 0.000 1.195 972 H CB 1.426 31.375 29.762 0.312 0.000 1.521 972 H HN 0.213 nan 8.280 nan 0.000 0.509 973 R N 1.993 122.652 120.500 0.265 0.000 2.170 973 R HA -0.185 4.155 4.340 -0.000 0.000 0.242 973 R C 0.918 177.295 176.300 0.127 0.000 1.145 973 R CA 1.844 58.025 56.100 0.136 0.000 0.984 973 R CB -0.178 30.207 30.300 0.141 0.000 0.869 973 R HN 0.812 nan 8.270 nan 0.000 0.455 974 H N 0.060 119.135 119.070 0.009 0.000 2.539 974 H HA 0.092 4.648 4.556 -0.000 0.000 0.267 974 H C 1.082 176.335 175.328 -0.126 0.000 0.982 974 H CA 0.183 56.192 56.048 -0.065 0.000 1.146 974 H CB -0.012 29.707 29.762 -0.072 0.000 1.382 974 H HN 0.305 nan 8.280 nan 0.000 0.577 975 L N 0.992 121.972 121.223 -0.405 0.000 2.700 975 L HA 0.300 4.639 4.340 -0.000 0.000 0.234 975 L C 0.068 176.844 176.870 -0.157 0.000 1.156 975 L CA -0.057 54.558 54.840 -0.374 0.000 0.946 975 L CB 0.258 42.117 42.059 -0.333 0.000 1.216 975 L HN 0.074 nan 8.230 nan 0.000 0.493 976 L N 0.637 121.758 121.223 -0.170 0.000 2.357 976 L HA 0.360 4.700 4.340 -0.000 0.000 0.273 976 L C -0.024 176.821 176.870 -0.041 0.000 1.080 976 L CA -0.533 54.177 54.840 -0.216 0.000 0.803 976 L CB 1.056 42.754 42.059 -0.600 0.000 1.174 976 L HN 0.149 nan 8.230 nan 0.000 0.443 977 H N 1.288 120.398 119.070 0.067 0.000 2.679 977 H HA 0.635 5.191 4.556 -0.000 0.000 0.360 977 H C -0.845 174.613 175.328 0.218 0.000 1.105 977 H CA -1.185 54.936 56.048 0.121 0.000 1.196 977 H CB 1.343 31.119 29.762 0.023 0.000 1.636 977 H HN 0.683 nan 8.280 nan 0.000 0.531 978 A N 3.245 126.081 122.820 0.027 0.000 2.498 978 A HA 0.168 4.488 4.320 -0.000 0.000 0.239 978 A C 0.274 177.801 177.584 -0.095 0.000 1.068 978 A CA -0.278 51.578 52.037 -0.301 0.000 0.766 978 A CB 0.030 18.850 19.000 -0.300 0.000 1.003 978 A HN 0.830 nan 8.150 nan 0.000 0.497 979 E N 1.090 121.215 120.200 -0.125 0.000 2.292 979 E HA 0.205 4.555 4.350 -0.000 0.000 0.258 979 E C 0.539 177.152 176.600 0.021 0.000 1.115 979 E CA -0.502 55.938 56.400 0.068 0.000 0.929 979 E CB 0.607 30.431 29.700 0.206 0.000 1.161 979 E HN 0.743 nan 8.360 nan 0.000 0.453 980 E N 0.726 120.948 120.200 0.037 0.000 2.119 980 E HA -0.307 4.043 4.350 -0.000 0.000 0.221 980 E C 1.213 177.775 176.600 -0.064 0.000 1.062 980 E CA 1.714 58.102 56.400 -0.020 0.000 0.894 980 E CB -0.306 29.377 29.700 -0.029 0.000 0.785 980 E HN 0.634 nan 8.360 nan 0.000 0.472 981 G N -0.441 108.287 108.800 -0.121 0.000 3.345 981 G HA2 0.249 4.209 3.960 -0.000 0.000 0.202 981 G HA3 0.249 4.209 3.960 -0.000 0.000 0.202 981 G C -0.407 174.436 174.900 -0.096 0.000 1.740 981 G CA -0.008 45.020 45.100 -0.120 0.000 0.806 981 G HN 0.114 nan 8.290 nan 0.000 0.718 982 T N 0.802 115.286 114.554 -0.116 0.000 2.985 982 T HA 0.327 4.677 4.350 -0.000 0.000 0.315 982 T C -1.501 173.115 174.700 -0.140 0.000 1.001 982 T CA -0.251 61.815 62.100 -0.056 0.000 1.016 982 T CB 0.977 69.927 68.868 0.136 0.000 0.993 982 T HN 0.297 nan 8.240 nan 0.000 0.454 983 W N 3.324 124.534 121.300 -0.151 0.000 2.238 983 W HA 0.588 5.248 4.660 -0.000 0.000 0.321 983 W C -0.029 176.370 176.519 -0.201 0.000 1.293 983 W CA -0.658 56.594 57.345 -0.154 0.000 1.204 983 W CB 0.561 29.935 29.460 -0.143 0.000 1.167 983 W HN 0.449 nan 8.180 nan 0.000 0.553 984 L N 4.960 126.201 121.223 0.030 0.000 2.381 984 L HA 0.510 4.850 4.340 -0.000 0.000 0.274 984 L C -1.030 175.744 176.870 -0.159 0.000 0.988 984 L CA -0.386 54.358 54.840 -0.161 0.000 0.824 984 L CB 0.977 42.809 42.059 -0.377 0.000 1.263 984 L HN 0.354 nan 8.230 nan 0.000 0.410 985 N N 7.100 125.700 118.700 -0.166 0.000 2.407 985 N HA 0.499 5.239 4.740 -0.000 0.000 0.277 985 N C -1.253 174.124 175.510 -0.222 0.000 0.995 985 N CA -0.390 52.556 53.050 -0.175 0.000 0.903 985 N CB 2.264 40.675 38.487 -0.128 0.000 1.218 985 N HN 0.530 nan 8.380 nan 0.000 0.487 986 I N 1.682 122.068 120.570 -0.306 0.000 2.389 986 I HA 0.271 4.440 4.170 -0.000 0.000 0.288 986 I C -0.639 175.304 176.117 -0.291 0.000 0.999 986 I CA -0.612 60.461 61.300 -0.379 0.000 1.129 986 I CB 1.641 39.246 38.000 -0.658 0.000 1.288 986 I HN 0.213 nan 8.210 nan 0.000 0.444 987 D N 4.393 124.656 120.400 -0.228 0.000 2.362 987 D HA 0.303 4.943 4.640 -0.000 0.000 0.247 987 D C 0.826 176.861 176.300 -0.442 0.000 1.050 987 D CA -0.236 53.585 54.000 -0.299 0.000 0.839 987 D CB 2.686 43.408 40.800 -0.130 0.000 1.283 987 D HN 0.725 nan 8.370 nan 0.000 0.477 988 G N 0.952 109.218 108.800 -0.890 0.000 2.539 988 G HA2 0.099 4.058 3.960 -0.000 0.000 0.215 988 G HA3 0.099 4.058 3.960 -0.000 0.000 0.215 988 G C 0.046 174.132 174.900 -1.358 0.000 1.141 988 G CA 0.296 44.637 45.100 -1.264 0.000 0.806 988 G HN 0.369 nan 8.290 nan 0.000 0.533 989 F N -1.093 118.686 119.950 -0.285 0.000 2.635 989 F HA 0.466 4.993 4.527 -0.000 0.000 0.314 989 F C -0.856 174.858 175.800 -0.143 0.000 1.119 989 F CA -1.254 56.659 58.000 -0.144 0.000 1.000 989 F CB 1.793 40.676 39.000 -0.195 0.000 1.278 989 F HN -0.097 nan 8.300 nan 0.000 0.446 990 H N 3.696 122.804 119.070 0.063 0.000 2.679 990 H HA 0.507 5.063 4.556 -0.000 0.000 0.360 990 H C -0.985 174.388 175.328 0.076 0.000 1.105 990 H CA -0.841 55.215 56.048 0.014 0.000 1.196 990 H CB 2.323 32.072 29.762 -0.022 0.000 1.636 990 H HN 0.877 nan 8.280 nan 0.000 0.531 991 M N 3.228 122.926 119.600 0.162 0.000 2.233 991 M HA 0.386 4.866 4.480 -0.000 0.000 0.350 991 M C 0.161 176.630 176.300 0.280 0.000 1.176 991 M CA -0.057 55.350 55.300 0.179 0.000 1.150 991 M CB 0.711 33.299 32.600 -0.019 0.000 1.530 991 M HN 0.612 nan 8.290 nan 0.000 0.459 992 G N 3.236 112.159 108.800 0.205 0.000 2.690 992 G HA2 0.261 4.221 3.960 -0.000 0.000 0.239 992 G HA3 0.261 4.221 3.960 -0.000 0.000 0.239 992 G C 0.692 175.557 174.900 -0.058 0.000 1.233 992 G CA -0.435 44.687 45.100 0.038 0.000 0.847 992 G HN 0.991 nan 8.290 nan 0.000 0.588 993 I N -0.146 120.322 120.570 -0.171 0.000 2.480 993 I HA 0.317 4.487 4.170 -0.000 0.000 0.251 993 I C 1.525 177.554 176.117 -0.147 0.000 1.124 993 I CA 0.629 61.799 61.300 -0.216 0.000 1.444 993 I CB -1.047 36.739 38.000 -0.356 0.000 1.098 993 I HN 0.925 nan 8.210 nan 0.000 0.428 994 G N 0.885 109.608 108.800 -0.129 0.000 2.508 994 G HA2 0.115 4.075 3.960 -0.000 0.000 0.220 994 G HA3 0.115 4.075 3.960 -0.000 0.000 0.220 994 G C 0.529 175.388 174.900 -0.068 0.000 1.287 994 G CA -0.002 45.060 45.100 -0.063 0.000 0.916 994 G HN 1.248 nan 8.290 nan 0.000 0.574 995 G N -1.935 106.830 108.800 -0.058 0.000 2.421 995 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.188 995 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.188 995 G C 0.809 175.695 174.900 -0.022 0.000 1.001 995 G CA 0.908 45.975 45.100 -0.054 0.000 0.693 995 G HN 1.159 nan 8.290 nan 0.000 0.479 996 D N 1.395 121.812 120.400 0.027 0.000 2.191 996 D HA 0.022 4.662 4.640 -0.000 0.000 0.195 996 D C 1.112 177.368 176.300 -0.074 0.000 1.003 996 D CA 2.201 56.266 54.000 0.108 0.000 0.867 996 D CB 0.064 40.944 40.800 0.135 0.000 0.926 996 D HN 0.842 nan 8.370 nan 0.000 0.450 997 D N -3.486 116.690 120.400 -0.374 0.000 2.759 997 D HA 0.365 5.005 4.640 -0.000 0.000 0.321 997 D C -0.843 174.834 176.300 -1.037 0.000 1.267 997 D CA -0.712 52.677 54.000 -1.018 0.000 0.933 997 D CB 0.838 40.799 40.800 -1.399 0.000 1.431 997 D HN -0.268 nan 8.370 nan 0.000 0.504 998 S N -1.023 113.667 115.700 -1.683 0.000 2.977 998 S HA 0.273 4.743 4.470 -0.000 0.000 0.250 998 S C -0.963 173.583 174.600 -0.090 0.000 1.005 998 S CA -0.633 57.229 58.200 -0.563 0.000 1.081 998 S CB -0.356 62.782 63.200 -0.102 0.000 1.018 998 S HN 0.613 nan 8.310 nan 0.000 0.539 999 W N 0.205 121.461 121.300 -0.074 0.000 1.213 999 W HA 0.608 5.268 4.660 -0.000 0.000 0.194 999 W C -0.188 176.292 176.519 -0.063 0.000 0.748 999 W CA -0.468 56.844 57.345 -0.055 0.000 0.971 999 W CB -0.570 28.800 29.460 -0.150 0.000 0.862 999 W HN 0.164 nan 8.180 nan 0.000 0.427 1000 S N 0.774 116.303 115.700 -0.286 0.000 2.533 1000 S HA 0.641 5.111 4.470 -0.000 0.000 0.271 1000 S C -3.032 171.468 174.600 -0.167 0.000 1.143 1000 S CA -1.401 56.698 58.200 -0.169 0.000 0.891 1000 S CB 1.518 64.642 63.200 -0.127 0.000 1.105 1000 S HN -0.153 nan 8.310 nan 0.000 0.468 1001 P HA 0.154 nan 4.420 nan 0.000 0.260 1001 P C 0.191 177.490 177.300 -0.001 0.000 1.207 1001 P CA 0.048 63.112 63.100 -0.060 0.000 0.780 1001 P CB 0.404 31.983 31.700 -0.201 0.000 0.789 1002 S N 0.934 116.653 115.700 0.032 0.000 2.575 1002 S HA 0.162 4.632 4.470 -0.000 0.000 0.237 1002 S C 0.311 174.964 174.600 0.088 0.000 0.975 1002 S CA -0.439 57.773 58.200 0.021 0.000 0.960 1002 S CB -0.311 62.851 63.200 -0.062 0.000 0.822 1002 S HN 0.135 nan 8.310 nan 0.000 0.472 1003 V N 3.536 123.560 119.914 0.182 0.000 2.353 1003 V HA 0.433 4.553 4.120 -0.000 0.000 0.264 1003 V C 0.776 177.025 176.094 0.258 0.000 1.049 1003 V CA -0.775 61.644 62.300 0.197 0.000 0.896 1003 V CB 0.088 32.014 31.823 0.171 0.000 1.025 1003 V HN 0.570 nan 8.190 nan 0.000 0.475 1004 S N 4.230 120.094 115.700 0.273 0.000 2.573 1004 S HA 0.348 4.818 4.470 -0.000 0.000 0.277 1004 S C 1.537 176.318 174.600 0.301 0.000 1.346 1004 S CA 0.057 58.420 58.200 0.273 0.000 1.034 1004 S CB 1.281 64.637 63.200 0.259 0.000 0.879 1004 S HN 1.157 nan 8.310 nan 0.000 0.528 1005 A N 2.439 125.378 122.820 0.198 0.000 1.884 1005 A HA -0.221 4.099 4.320 -0.000 0.000 0.219 1005 A C 1.983 179.613 177.584 0.076 0.000 1.197 1005 A CA 2.252 54.387 52.037 0.163 0.000 0.637 1005 A CB -1.574 17.490 19.000 0.106 0.000 0.827 1005 A HN 0.996 nan 8.150 nan 0.000 0.450 1006 E N -0.461 119.699 120.200 -0.065 0.000 2.164 1006 E HA -0.242 4.108 4.350 -0.000 0.000 0.206 1006 E C 1.108 177.475 176.600 -0.388 0.000 1.032 1006 E CA 1.847 58.053 56.400 -0.323 0.000 0.832 1006 E CB -0.614 28.694 29.700 -0.654 0.000 0.742 1006 E HN 0.730 nan 8.360 nan 0.000 0.460 1007 F N 1.164 121.182 119.950 0.113 0.000 2.664 1007 F HA 0.174 4.701 4.527 -0.000 0.000 0.301 1007 F C 0.395 176.266 175.800 0.119 0.000 1.126 1007 F CA 0.046 58.116 58.000 0.117 0.000 1.373 1007 F CB -0.220 38.842 39.000 0.103 0.000 1.042 1007 F HN -0.129 nan 8.300 nan 0.000 0.535 1008 Q N 0.683 120.635 119.800 0.254 0.000 2.245 1008 Q HA 0.386 4.726 4.340 -0.000 0.000 0.256 1008 Q C -0.026 176.086 176.000 0.187 0.000 0.942 1008 Q CA -0.693 55.266 55.803 0.261 0.000 0.896 1008 Q CB 2.256 31.250 28.738 0.427 0.000 1.272 1008 Q HN 0.232 nan 8.270 nan 0.000 0.442 1009 L N 2.681 123.980 121.223 0.127 0.000 2.388 1009 L HA 0.002 4.342 4.340 -0.000 0.000 0.252 1009 L C 0.781 177.565 176.870 -0.143 0.000 1.357 1009 L CA 0.152 55.002 54.840 0.017 0.000 1.214 1009 L CB -0.671 41.291 42.059 -0.162 0.000 1.392 1009 L HN 0.721 nan 8.230 nan 0.000 0.432 1010 S N -1.518 114.100 115.700 -0.136 0.000 2.557 1010 S HA 0.128 4.598 4.470 -0.000 0.000 0.223 1010 S C 1.696 176.209 174.600 -0.145 0.000 0.969 1010 S CA 0.166 58.113 58.200 -0.421 0.000 0.927 1010 S CB 0.675 63.749 63.200 -0.209 0.000 0.806 1010 S HN 0.509 nan 8.310 nan 0.000 0.489 1011 A N 1.588 124.375 122.820 -0.054 0.000 2.121 1011 A HA 0.435 4.755 4.320 -0.000 0.000 0.218 1011 A C 2.175 179.630 177.584 -0.214 0.000 1.154 1011 A CA 1.014 52.876 52.037 -0.291 0.000 0.679 1011 A CB -1.408 17.116 19.000 -0.793 0.000 0.795 1011 A HN 1.450 nan 8.150 nan 0.000 0.458 1012 G N -1.550 107.259 108.800 0.016 0.000 2.322 1012 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.264 1012 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.264 1012 G C 0.494 175.427 174.900 0.056 0.000 0.992 1012 G CA 0.936 46.068 45.100 0.053 0.000 0.624 1012 G HN 0.712 nan 8.290 nan 0.000 0.543 1013 R N -0.684 119.764 120.500 -0.086 0.000 2.518 1013 R HA 0.602 4.942 4.340 -0.000 0.000 0.296 1013 R C -1.488 174.697 176.300 -0.192 0.000 1.080 1013 R CA -0.561 55.519 56.100 -0.033 0.000 0.922 1013 R CB 0.959 31.220 30.300 -0.066 0.000 1.184 1013 R HN 0.186 nan 8.270 nan 0.000 0.445 1014 Y N 0.784 121.081 120.300 -0.005 0.000 2.485 1014 Y HA 0.421 4.971 4.550 -0.000 0.000 0.345 1014 Y C -0.291 175.789 175.900 0.300 0.000 0.998 1014 Y CA -0.834 57.252 58.100 -0.023 0.000 1.059 1014 Y CB 2.020 40.296 38.460 -0.307 0.000 1.234 1014 Y HN 0.516 nan 8.280 nan 0.000 0.461 1015 H N 2.367 121.738 119.070 0.502 0.000 2.782 1015 H HA 0.559 5.115 4.556 -0.000 0.000 0.347 1015 H C -1.836 173.880 175.328 0.646 0.000 1.038 1015 H CA -0.914 55.420 56.048 0.476 0.000 1.255 1015 H CB 0.956 30.872 29.762 0.257 0.000 1.623 1015 H HN 0.525 nan 8.280 nan 0.000 0.525 1016 Y N 1.423 121.531 120.300 -0.319 0.000 2.597 1016 Y HA 0.591 5.141 4.550 -0.000 0.000 0.340 1016 Y C -1.797 173.918 175.900 -0.309 0.000 1.097 1016 Y CA -1.151 56.793 58.100 -0.260 0.000 1.037 1016 Y CB 1.345 39.741 38.460 -0.107 0.000 1.305 1016 Y HN 0.645 nan 8.280 nan 0.000 0.463 1017 Q N 2.281 122.028 119.800 -0.088 0.000 2.347 1017 Q HA 0.709 5.048 4.340 -0.000 0.000 0.271 1017 Q C -2.079 173.972 176.000 0.086 0.000 1.064 1017 Q CA -1.031 54.732 55.803 -0.067 0.000 0.800 1017 Q CB 3.338 32.086 28.738 0.017 0.000 1.304 1017 Q HN 0.769 nan 8.270 nan 0.000 0.438 1018 L N 1.431 122.689 121.223 0.059 0.000 2.424 1018 L HA 0.704 5.044 4.340 -0.000 0.000 0.258 1018 L C -1.865 175.107 176.870 0.169 0.000 0.995 1018 L CA -0.768 54.156 54.840 0.141 0.000 0.821 1018 L CB 2.574 44.682 42.059 0.081 0.000 1.383 1018 L HN 0.455 nan 8.230 nan 0.000 0.410 1019 V N 2.983 123.033 119.914 0.228 0.000 2.376 1019 V HA 0.365 4.485 4.120 -0.000 0.000 0.287 1019 V C -1.276 174.991 176.094 0.288 0.000 1.015 1019 V CA -0.440 62.001 62.300 0.236 0.000 0.834 1019 V CB 1.495 33.428 31.823 0.184 0.000 1.001 1019 V HN 0.746 nan 8.190 nan 0.000 0.428 1020 W N 6.428 127.773 121.300 0.075 0.000 2.391 1020 W HA 0.679 5.339 4.660 -0.000 0.000 0.311 1020 W C -0.086 176.403 176.519 -0.050 0.000 1.087 1020 W CA -1.048 56.250 57.345 -0.079 0.000 1.209 1020 W CB 1.429 30.899 29.460 0.016 0.000 1.273 1020 W HN 0.756 nan 8.180 nan 0.000 0.482 1021 C N 3.369 122.884 119.300 0.358 0.000 3.292 1021 C HA 0.839 5.299 4.460 -0.000 0.000 0.369 1021 C C -0.513 174.570 174.990 0.155 0.000 2.360 1021 C CA -0.668 58.472 59.018 0.203 0.000 1.526 1021 C CB 1.492 29.296 27.740 0.106 0.000 2.784 1021 C HN 0.544 nan 8.230 nan 0.000 0.490 1022 Q N -0.656 119.161 119.800 0.028 0.000 2.648 1022 Q HA 0.673 5.013 4.340 -0.000 0.000 0.300 1022 Q C -1.404 174.554 176.000 -0.070 0.000 0.954 1022 Q CA -0.502 55.250 55.803 -0.084 0.000 0.757 1022 Q CB 1.745 30.390 28.738 -0.156 0.000 1.482 1022 Q HN 0.693 nan 8.270 nan 0.000 0.437 1023 K N 0.000 120.338 120.400 -0.103 0.000 2.780 1023 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1023 K CA 0.000 56.246 56.287 -0.067 0.000 0.838 1023 K CB 0.000 32.467 32.500 -0.056 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543