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 1f49_1_D 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 SEMDFXIELG DATA SEQUENCE NKRWQFNRQS GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID DATA SEQUENCE PNAWVERWKA AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS DATA SEQUENCE RKTYRIDGSG QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP DATA SEQUENCE QENYPDRLTA AXFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR DATA SEQUENCE GDFQFNISRY SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS DATA SEQUENCE VSAEFQLSAG RYHYQLVWXQ 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 0.000 176.142 176.117 0.041 0.000 1.063 3 I CA 0.000 61.325 61.300 0.041 0.000 1.566 3 I CB 0.000 38.016 38.000 0.026 0.000 1.214 4 T N -2.317 112.268 114.554 0.052 0.000 3.081 4 T HA 0.218 4.569 4.350 0.000 0.000 0.250 4 T C 0.922 175.653 174.700 0.052 0.000 1.100 4 T CA 0.965 63.081 62.100 0.026 0.000 1.038 4 T CB -0.376 68.505 68.868 0.023 0.000 0.962 4 T HN 0.247 nan 8.240 nan 0.000 0.516 5 D N 2.373 122.862 120.400 0.149 0.000 2.340 5 D HA 0.088 4.728 4.640 0.000 0.000 0.220 5 D C 0.958 177.470 176.300 0.353 0.000 1.039 5 D CA 0.157 54.350 54.000 0.323 0.000 0.866 5 D CB 0.057 41.066 40.800 0.349 0.000 0.913 5 D HN 0.567 nan 8.370 nan 0.000 0.523 6 S N 0.064 115.857 115.700 0.154 0.000 2.548 6 S HA 0.087 4.557 4.470 0.000 0.000 0.277 6 S C 1.336 175.988 174.600 0.088 0.000 1.315 6 S CA -0.681 57.568 58.200 0.082 0.000 1.050 6 S CB 1.274 64.490 63.200 0.026 0.000 0.918 6 S HN -0.115 nan 8.310 nan 0.000 0.497 7 L N 3.572 124.825 121.223 0.049 0.000 2.051 7 L HA -0.126 4.214 4.340 0.000 0.000 0.214 7 L C 2.899 179.788 176.870 0.032 0.000 1.076 7 L CA 2.505 57.380 54.840 0.057 0.000 0.758 7 L CB -1.542 40.502 42.059 -0.024 0.000 0.890 7 L HN 0.989 nan 8.230 nan 0.000 0.433 8 A N -1.827 120.998 122.820 0.008 0.000 2.015 8 A HA -0.097 4.223 4.320 0.000 0.000 0.219 8 A C 2.392 179.971 177.584 -0.009 0.000 1.163 8 A CA 1.740 53.778 52.037 0.003 0.000 0.646 8 A CB -0.572 18.426 19.000 -0.004 0.000 0.806 8 A HN 0.233 nan 8.150 nan 0.000 0.448 9 V N -1.024 118.876 119.914 -0.023 0.000 2.341 9 V HA -0.129 3.991 4.120 0.000 0.000 0.240 9 V C 2.541 178.562 176.094 -0.121 0.000 1.035 9 V CA 1.513 63.777 62.300 -0.061 0.000 1.033 9 V CB -0.376 31.415 31.823 -0.054 0.000 0.678 9 V HN 0.320 nan 8.190 nan 0.000 0.464 10 V N 0.756 120.569 119.914 -0.168 0.000 2.250 10 V HA -0.298 3.822 4.120 0.000 0.000 0.250 10 V C 2.164 178.136 176.094 -0.203 0.000 1.060 10 V CA 2.244 64.330 62.300 -0.357 0.000 1.030 10 V CB -0.695 30.869 31.823 -0.432 0.000 0.643 10 V HN 0.482 nan 8.190 nan 0.000 0.445 11 L N 0.279 121.492 121.223 -0.016 0.000 2.622 11 L HA -0.105 4.235 4.340 0.000 0.000 0.233 11 L C 2.338 179.280 176.870 0.121 0.000 1.156 11 L CA 0.801 55.765 54.840 0.206 0.000 0.866 11 L CB -0.710 41.516 42.059 0.279 0.000 0.980 11 L HN 0.443 nan 8.230 nan 0.000 0.448 12 Q N 0.714 120.511 119.800 -0.005 0.000 2.137 12 Q HA -0.103 4.237 4.340 0.000 0.000 0.198 12 Q C 2.307 178.248 176.000 -0.098 0.000 0.960 12 Q CA 1.185 56.965 55.803 -0.037 0.000 0.847 12 Q CB 0.020 28.728 28.738 -0.050 0.000 0.915 12 Q HN 0.191 nan 8.270 nan 0.000 0.448 13 R N 0.510 120.933 120.500 -0.129 0.000 2.096 13 R HA 0.010 4.350 4.340 0.000 0.000 0.235 13 R C 0.286 176.417 176.300 -0.282 0.000 1.127 13 R CA 1.133 57.128 56.100 -0.175 0.000 0.968 13 R CB -0.230 29.966 30.300 -0.174 0.000 0.861 13 R HN 0.352 nan 8.270 nan 0.000 0.440 14 R N 0.786 121.033 120.500 -0.420 0.000 3.261 14 R HA -0.122 4.218 4.340 0.000 0.000 0.257 14 R C -0.136 175.699 176.300 -0.776 0.000 1.014 14 R CA 0.411 55.877 56.100 -1.058 0.000 0.681 14 R CB -1.232 28.581 30.300 -0.812 0.000 1.155 14 R HN 0.322 nan 8.270 nan 0.000 0.424 15 D N -0.316 119.821 120.400 -0.438 0.000 2.221 15 D HA -0.186 4.454 4.640 0.000 0.000 0.204 15 D C 1.587 177.849 176.300 -0.064 0.000 0.982 15 D CA 1.767 55.577 54.000 -0.317 0.000 0.857 15 D CB -0.138 40.263 40.800 -0.665 0.000 0.934 15 D HN 0.726 nan 8.370 nan 0.000 0.475 16 W N 1.609 122.943 121.300 0.058 0.000 3.292 16 W HA 0.159 4.819 4.660 0.000 0.000 0.263 16 W C 0.253 176.877 176.519 0.174 0.000 1.318 16 W CA -0.216 57.257 57.345 0.213 0.000 1.663 16 W CB -0.262 29.355 29.460 0.263 0.000 1.114 16 W HN -0.164 nan 8.180 nan 0.000 0.706 17 E N 1.027 121.056 120.200 -0.285 0.000 3.306 17 E HA 0.085 4.435 4.350 0.000 0.000 0.197 17 E C -0.835 175.645 176.600 -0.200 0.000 0.980 17 E CA -0.285 56.014 56.400 -0.169 0.000 1.259 17 E CB -0.173 29.472 29.700 -0.093 0.000 1.112 17 E HN 0.078 nan 8.360 nan 0.000 0.458 18 N N 1.241 119.849 118.700 -0.153 0.000 2.572 18 N HA 0.140 4.880 4.740 0.000 0.000 0.287 18 N C -2.373 173.016 175.510 -0.202 0.000 1.136 18 N CA -1.934 50.993 53.050 -0.206 0.000 0.900 18 N CB 1.627 40.001 38.487 -0.189 0.000 1.484 18 N HN -0.228 nan 8.380 nan 0.000 0.526 19 P HA 0.075 nan 4.420 nan 0.000 0.230 19 P C 1.073 178.143 177.300 -0.383 0.000 1.158 19 P CA 0.658 63.436 63.100 -0.537 0.000 0.769 19 P CB 0.170 31.093 31.700 -1.294 0.000 0.807 20 G N -0.345 108.274 108.800 -0.301 0.000 2.572 20 G HA2 0.036 3.996 3.960 0.000 0.000 0.216 20 G HA3 0.036 3.996 3.960 0.000 0.000 0.216 20 G C 0.321 175.151 174.900 -0.117 0.000 1.133 20 G CA 0.213 45.189 45.100 -0.206 0.000 0.791 20 G HN 0.211 nan 8.290 nan 0.000 0.538 21 V N 1.444 121.310 119.914 -0.080 0.000 2.326 21 V HA 0.355 4.475 4.120 0.000 0.000 0.281 21 V C 0.850 177.006 176.094 0.102 0.000 1.015 21 V CA 0.153 62.461 62.300 0.012 0.000 0.823 21 V CB 1.216 33.043 31.823 0.007 0.000 1.009 21 V HN 0.304 nan 8.190 nan 0.000 0.436 22 T N 0.743 115.342 114.554 0.074 0.000 2.985 22 T HA 0.352 4.702 4.350 0.000 0.000 0.254 22 T C 0.275 174.987 174.700 0.020 0.000 1.021 22 T CA 0.218 62.351 62.100 0.055 0.000 0.957 22 T CB 0.386 69.248 68.868 -0.010 0.000 1.047 22 T HN 0.691 nan 8.240 nan 0.000 0.511 23 Q N 0.339 120.198 119.800 0.099 0.000 2.756 23 Q HA 0.712 5.052 4.340 0.000 0.000 0.295 23 Q C -2.191 173.929 176.000 0.200 0.000 0.903 23 Q CA -1.097 54.751 55.803 0.073 0.000 0.768 23 Q CB 1.079 29.787 28.738 -0.049 0.000 1.472 23 Q HN 0.230 nan 8.270 nan 0.000 0.416 24 L N 1.702 123.069 121.223 0.240 0.000 2.580 24 L HA 0.558 4.898 4.340 0.000 0.000 0.266 24 L C -0.791 176.225 176.870 0.243 0.000 0.955 24 L CA -0.806 54.197 54.840 0.271 0.000 0.886 24 L CB 1.886 44.206 42.059 0.435 0.000 1.263 24 L HN 0.867 nan 8.230 nan 0.000 0.406 25 N N 0.577 119.380 118.700 0.171 0.000 2.800 25 N HA -0.204 4.536 4.740 0.000 0.000 0.250 25 N C 0.221 175.808 175.510 0.129 0.000 1.078 25 N CA 0.730 53.880 53.050 0.167 0.000 0.804 25 N CB -0.744 37.828 38.487 0.142 0.000 1.135 25 N HN 0.690 nan 8.380 nan 0.000 0.565 26 R N 1.210 121.658 120.500 -0.087 0.000 2.340 26 R HA 0.401 4.741 4.340 0.000 0.000 0.300 26 R C 0.700 176.853 176.300 -0.244 0.000 1.069 26 R CA -0.327 55.492 56.100 -0.469 0.000 0.984 26 R CB 0.557 30.578 30.300 -0.466 0.000 1.003 26 R HN 0.123 nan 8.270 nan 0.000 0.459 27 L N 2.752 123.825 121.223 -0.251 0.000 2.479 27 L HA 0.328 4.668 4.340 0.000 0.000 0.248 27 L C 0.756 177.589 176.870 -0.061 0.000 1.205 27 L CA -0.630 54.159 54.840 -0.085 0.000 0.817 27 L CB 0.463 42.511 42.059 -0.020 0.000 1.162 27 L HN 0.738 nan 8.230 nan 0.000 0.486 28 A N 0.489 123.317 122.820 0.012 0.000 2.366 28 A HA 0.553 4.873 4.320 0.000 0.000 0.249 28 A C 0.158 177.786 177.584 0.074 0.000 1.084 28 A CA -0.024 52.033 52.037 0.033 0.000 0.794 28 A CB 0.283 19.322 19.000 0.065 0.000 1.034 28 A HN 0.766 nan 8.150 nan 0.000 0.491 29 A N 0.736 123.549 122.820 -0.011 0.000 2.304 29 A HA 0.724 5.044 4.320 0.000 0.000 0.271 29 A C 0.030 177.555 177.584 -0.099 0.000 1.091 29 A CA 0.364 52.321 52.037 -0.134 0.000 0.812 29 A CB -0.001 18.904 19.000 -0.159 0.000 1.056 29 A HN 1.789 nan 8.150 nan 0.000 0.489 30 H N -2.518 116.451 119.070 -0.167 0.000 2.904 30 H HA 0.597 5.154 4.556 0.000 0.000 0.290 30 H C -3.351 171.749 175.328 -0.379 0.000 1.437 30 H CA -1.737 54.170 56.048 -0.234 0.000 1.147 30 H CB 0.016 29.606 29.762 -0.288 0.000 1.824 30 H HN 0.403 nan 8.280 nan 0.000 0.505 31 P HA 0.207 nan 4.420 nan 0.000 0.274 31 P C -2.592 174.458 177.300 -0.417 0.000 1.260 31 P CA -1.488 61.396 63.100 -0.360 0.000 0.793 31 P CB -0.376 31.085 31.700 -0.397 0.000 1.048 32 P HA 0.143 nan 4.420 nan 0.000 0.271 32 P C -0.845 176.517 177.300 0.104 0.000 1.226 32 P CA 0.775 63.823 63.100 -0.087 0.000 0.765 32 P CB -0.126 31.594 31.700 0.034 0.000 0.835 33 F N 1.389 121.460 119.950 0.203 0.000 2.492 33 F HA 0.584 5.111 4.527 0.000 0.000 0.327 33 F C 1.137 176.888 175.800 -0.081 0.000 1.079 33 F CA -0.950 57.100 58.000 0.084 0.000 0.967 33 F CB 2.030 41.034 39.000 0.007 0.000 1.169 33 F HN 0.235 nan 8.300 nan 0.000 0.472 34 A N 0.565 123.352 122.820 -0.054 0.000 2.340 34 A HA 0.253 4.573 4.320 0.000 0.000 0.213 34 A C 0.819 178.124 177.584 -0.466 0.000 1.299 34 A CA 0.486 52.232 52.037 -0.485 0.000 0.994 34 A CB -0.035 18.126 19.000 -1.400 0.000 1.132 34 A HN 0.772 nan 8.150 nan 0.000 0.519 35 S N -0.204 115.324 115.700 -0.287 0.000 3.783 35 S HA -0.131 4.339 4.470 0.000 0.000 0.360 35 S C -0.058 174.460 174.600 -0.136 0.000 1.006 35 S CA 0.329 58.406 58.200 -0.206 0.000 1.115 35 S CB -1.707 61.357 63.200 -0.227 0.000 0.893 35 S HN 0.493 nan 8.310 nan 0.000 0.475 36 W N 1.369 122.662 121.300 -0.011 0.000 2.148 36 W HA 0.163 4.823 4.660 0.000 0.000 0.347 36 W C 1.545 178.058 176.519 -0.011 0.000 1.288 36 W CA -0.199 57.147 57.345 0.002 0.000 1.252 36 W CB 0.169 29.630 29.460 0.001 0.000 1.156 36 W HN 0.374 nan 8.180 nan 0.000 0.580 37 R N 1.536 122.198 120.500 0.272 0.000 2.508 37 R HA 0.093 4.433 4.340 0.000 0.000 0.300 37 R C 0.089 176.469 176.300 0.133 0.000 0.970 37 R CA -0.062 56.131 56.100 0.155 0.000 1.102 37 R CB 0.382 30.742 30.300 0.099 0.000 1.246 37 R HN 0.422 nan 8.270 nan 0.000 0.539 38 N N 0.509 119.305 118.700 0.160 0.000 2.425 38 N HA -0.022 4.718 4.740 0.000 0.000 0.289 38 N C 0.379 175.880 175.510 -0.014 0.000 1.074 38 N CA 0.101 53.191 53.050 0.067 0.000 0.905 38 N CB 2.192 40.712 38.487 0.055 0.000 1.586 38 N HN -0.103 nan 8.380 nan 0.000 0.490 39 S N 2.760 118.431 115.700 -0.049 0.000 2.365 39 S HA -0.159 4.311 4.470 0.000 0.000 0.225 39 S C 1.177 175.636 174.600 -0.235 0.000 1.039 39 S CA 1.268 59.398 58.200 -0.117 0.000 1.033 39 S CB -0.208 62.957 63.200 -0.058 0.000 0.887 39 S HN 0.670 nan 8.310 nan 0.000 0.447 40 E N 0.934 121.016 120.200 -0.196 0.000 2.110 40 E HA -0.124 4.226 4.350 0.000 0.000 0.193 40 E C 2.206 178.624 176.600 -0.304 0.000 0.988 40 E CA 1.155 57.401 56.400 -0.256 0.000 0.804 40 E CB -0.334 29.258 29.700 -0.180 0.000 0.745 40 E HN 0.753 nan 8.360 nan 0.000 0.458 41 E N 0.621 120.664 120.200 -0.261 0.000 2.051 41 E HA -0.157 4.193 4.350 0.000 0.000 0.192 41 E C 2.081 178.196 176.600 -0.809 0.000 0.991 41 E CA 0.981 57.212 56.400 -0.281 0.000 0.799 41 E CB -0.082 29.620 29.700 0.003 0.000 0.748 41 E HN 0.178 nan 8.360 nan 0.000 0.449 42 A N 1.581 123.628 122.820 -1.288 0.000 1.902 42 A HA -0.216 4.104 4.320 0.000 0.000 0.217 42 A C 2.105 179.067 177.584 -1.035 0.000 1.181 42 A CA 1.636 52.447 52.037 -2.043 0.000 0.623 42 A CB -0.506 17.809 19.000 -1.141 0.000 0.818 42 A HN 0.114 nan 8.150 nan 0.000 0.443 43 R N -0.075 120.032 120.500 -0.656 0.000 2.152 43 R HA -0.110 4.230 4.340 0.000 0.000 0.232 43 R C 1.442 177.495 176.300 -0.412 0.000 1.117 43 R CA 1.939 57.727 56.100 -0.520 0.000 0.981 43 R CB -0.354 29.563 30.300 -0.638 0.000 0.870 43 R HN 0.585 nan 8.270 nan 0.000 0.451 44 T N -2.846 111.487 114.554 -0.368 0.000 3.105 44 T HA 0.111 4.461 4.350 0.000 0.000 0.253 44 T C 0.044 174.666 174.700 -0.132 0.000 1.047 44 T CA 0.151 62.120 62.100 -0.219 0.000 0.944 44 T CB 0.247 69.010 68.868 -0.175 0.000 1.016 44 T HN 0.255 nan 8.240 nan 0.000 0.544 45 D N 1.338 121.627 120.400 -0.185 0.000 2.800 45 D HA -0.151 4.489 4.640 0.000 0.000 0.232 45 D C 0.051 176.457 176.300 0.176 0.000 1.137 45 D CA 0.386 54.408 54.000 0.037 0.000 0.718 45 D CB -0.856 40.002 40.800 0.096 0.000 1.084 45 D HN 0.553 nan 8.370 nan 0.000 0.432 46 R N -0.113 120.485 120.500 0.164 0.000 2.652 46 R HA 0.493 4.833 4.340 0.000 0.000 0.271 46 R C -2.123 174.440 176.300 0.438 0.000 1.129 46 R CA -1.195 55.054 56.100 0.248 0.000 1.200 46 R CB -0.001 30.391 30.300 0.153 0.000 1.146 46 R HN 0.102 nan 8.270 nan 0.000 0.581 47 P HA 0.043 nan 4.420 nan 0.000 0.279 47 P C -0.650 176.762 177.300 0.188 0.000 1.239 47 P CA -0.136 63.089 63.100 0.208 0.000 0.789 47 P CB 1.147 32.926 31.700 0.132 0.000 0.933 48 S N 1.798 117.489 115.700 -0.014 0.000 2.525 48 S HA 0.166 4.636 4.470 0.000 0.000 0.290 48 S C 0.937 175.522 174.600 -0.025 0.000 1.152 48 S CA -0.538 57.578 58.200 -0.139 0.000 1.072 48 S CB 0.883 63.644 63.200 -0.732 0.000 1.027 48 S HN 0.373 nan 8.310 nan 0.000 0.500 49 Q N 1.722 121.553 119.800 0.052 0.000 2.472 49 Q HA -0.009 4.331 4.340 0.000 0.000 0.208 49 Q C 0.789 176.927 176.000 0.230 0.000 0.958 49 Q CA 0.351 56.235 55.803 0.135 0.000 0.932 49 Q CB -0.145 28.684 28.738 0.151 0.000 1.007 49 Q HN 0.782 nan 8.270 nan 0.000 0.508 50 Q N 0.493 120.356 119.800 0.105 0.000 2.365 50 Q HA 0.148 4.488 4.340 0.000 0.000 0.203 50 Q C 0.011 176.053 176.000 0.070 0.000 0.929 50 Q CA 0.135 55.981 55.803 0.073 0.000 0.948 50 Q CB 0.102 28.779 28.738 -0.102 0.000 1.043 50 Q HN 0.160 nan 8.270 nan 0.000 0.505 51 L N 1.173 122.462 121.223 0.110 0.000 2.343 51 L HA 0.467 4.807 4.340 0.000 0.000 0.278 51 L C -1.157 175.801 176.870 0.147 0.000 0.996 51 L CA -0.372 54.523 54.840 0.092 0.000 0.831 51 L CB 1.469 43.505 42.059 -0.038 0.000 1.232 51 L HN -0.101 nan 8.230 nan 0.000 0.413 52 R N 2.781 123.393 120.500 0.187 0.000 2.561 52 R HA 0.457 4.797 4.340 0.000 0.000 0.297 52 R C -0.909 175.430 176.300 0.066 0.000 0.969 52 R CA -0.592 55.586 56.100 0.130 0.000 0.879 52 R CB 2.264 32.658 30.300 0.157 0.000 1.178 52 R HN 0.691 nan 8.270 nan 0.000 0.445 53 S N 2.690 118.418 115.700 0.046 0.000 2.565 53 S HA 0.276 4.746 4.470 0.000 0.000 0.274 53 S C 0.970 175.590 174.600 0.033 0.000 1.309 53 S CA -0.430 57.790 58.200 0.034 0.000 1.043 53 S CB 0.510 63.738 63.200 0.046 0.000 0.939 53 S HN 0.541 nan 8.310 nan 0.000 0.504 54 L N 3.456 124.708 121.223 0.048 0.000 2.857 54 L HA 0.285 4.625 4.340 0.000 0.000 0.249 54 L C -0.020 177.059 176.870 0.347 0.000 1.172 54 L CA -0.255 54.648 54.840 0.106 0.000 0.980 54 L CB -0.330 41.762 42.059 0.055 0.000 1.299 54 L HN 0.497 nan 8.230 nan 0.000 0.535 55 N N 1.380 120.208 118.700 0.212 0.000 2.530 55 N HA 0.512 5.253 4.740 0.000 0.000 0.273 55 N C 0.634 176.294 175.510 0.251 0.000 1.173 55 N CA 0.770 53.948 53.050 0.215 0.000 0.967 55 N CB 1.689 40.227 38.487 0.085 0.000 1.109 55 N HN 0.304 nan 8.380 nan 0.000 0.453 56 G N 0.768 109.753 108.800 0.307 0.000 2.366 56 G HA2 -0.061 3.899 3.960 0.000 0.000 0.190 56 G HA3 -0.061 3.899 3.960 0.000 0.000 0.190 56 G C -1.349 173.791 174.900 0.399 0.000 1.299 56 G CA -0.750 44.510 45.100 0.267 0.000 1.056 56 G HN 0.467 nan 8.290 nan 0.000 0.468 57 E N -0.306 120.087 120.200 0.322 0.000 2.313 57 E HA 0.529 4.879 4.350 0.000 0.000 0.276 57 E C -1.130 175.739 176.600 0.449 0.000 1.031 57 E CA -0.125 56.472 56.400 0.328 0.000 0.857 57 E CB 0.808 30.614 29.700 0.177 0.000 1.040 57 E HN 0.383 nan 8.360 nan 0.000 0.408 58 W N 1.656 123.044 121.300 0.147 0.000 3.047 58 W HA 0.402 5.062 4.660 0.000 0.000 0.341 58 W C -0.530 176.107 176.519 0.196 0.000 1.225 58 W CA -0.740 56.721 57.345 0.195 0.000 1.150 58 W CB 0.879 30.510 29.460 0.286 0.000 1.470 58 W HN 0.265 nan 8.180 nan 0.000 0.578 59 R N 1.603 122.366 120.500 0.437 0.000 2.474 59 R HA 0.656 4.996 4.340 0.000 0.000 0.295 59 R C -1.401 175.102 176.300 0.338 0.000 0.980 59 R CA -0.783 55.508 56.100 0.318 0.000 0.934 59 R CB 1.579 32.011 30.300 0.221 0.000 1.101 59 R HN 0.450 nan 8.270 nan 0.000 0.469 60 F N 0.522 120.492 119.950 0.033 0.000 2.578 60 F HA 0.664 5.191 4.527 0.000 0.000 0.311 60 F C -1.480 174.180 175.800 -0.233 0.000 1.094 60 F CA -0.625 57.256 58.000 -0.199 0.000 0.923 60 F CB 2.083 40.853 39.000 -0.383 0.000 1.230 60 F HN 0.680 nan 8.300 nan 0.000 0.450 61 A N 4.223 126.162 122.820 -1.468 0.000 2.549 61 A HA 0.601 4.921 4.320 0.000 0.000 0.297 61 A C -2.493 174.216 177.584 -1.458 0.000 1.061 61 A CA -0.560 50.802 52.037 -1.125 0.000 0.690 61 A CB 0.778 19.477 19.000 -0.503 0.000 1.287 61 A HN 0.970 nan 8.150 nan 0.000 0.402 62 W N 1.817 122.337 121.300 -1.300 0.000 2.689 62 W HA 0.793 5.453 4.660 0.000 0.000 0.340 62 W C -1.968 173.956 176.519 -0.992 0.000 1.060 62 W CA -0.441 56.303 57.345 -1.002 0.000 1.218 62 W CB 1.448 30.506 29.460 -0.672 0.000 1.410 62 W HN 0.519 nan 8.180 nan 0.000 0.528 63 F N 4.813 124.127 119.950 -1.060 0.000 2.631 63 F HA 0.349 4.876 4.527 0.000 0.000 0.308 63 F C -1.532 173.457 175.800 -1.352 0.000 1.097 63 F CA -2.391 55.115 58.000 -0.824 0.000 0.952 63 F CB 1.395 40.075 39.000 -0.535 0.000 1.307 63 F HN 0.142 nan 8.300 nan 0.000 0.450 64 P HA 0.078 nan 4.420 nan 0.000 0.226 64 P C -0.241 176.965 177.300 -0.157 0.000 1.153 64 P CA 1.039 63.959 63.100 -0.300 0.000 0.777 64 P CB 0.578 32.318 31.700 0.066 0.000 0.794 65 A N -1.052 121.681 122.820 -0.145 0.000 2.605 65 A HA 0.521 4.841 4.320 0.000 0.000 0.294 65 A C -2.379 175.108 177.584 -0.162 0.000 1.062 65 A CA -1.089 50.892 52.037 -0.093 0.000 0.682 65 A CB 0.611 19.616 19.000 0.007 0.000 1.278 65 A HN -0.290 nan 8.150 nan 0.000 0.410 66 P HA -0.142 nan 4.420 nan 0.000 0.216 66 P C 0.846 178.035 177.300 -0.185 0.000 1.150 66 P CA 1.645 64.600 63.100 -0.243 0.000 0.837 66 P CB 0.203 31.733 31.700 -0.284 0.000 0.786 67 E N 0.290 120.447 120.200 -0.071 0.000 2.171 67 E HA -0.138 4.212 4.350 0.000 0.000 0.197 67 E C 2.101 178.653 176.600 -0.080 0.000 0.997 67 E CA 1.537 57.916 56.400 -0.035 0.000 0.810 67 E CB -0.893 28.824 29.700 0.029 0.000 0.738 67 E HN 0.228 nan 8.360 nan 0.000 0.467 68 A N 0.728 123.487 122.820 -0.102 0.000 2.206 68 A HA 0.032 4.352 4.320 0.000 0.000 0.211 68 A C 0.845 178.251 177.584 -0.297 0.000 1.158 68 A CA 0.070 52.064 52.037 -0.072 0.000 0.761 68 A CB -0.010 19.040 19.000 0.083 0.000 0.801 68 A HN 0.043 nan 8.150 nan 0.000 0.473 69 V N 2.530 122.109 119.914 -0.559 0.000 2.572 69 V HA 0.213 4.333 4.120 0.000 0.000 0.291 69 V C -2.132 173.746 176.094 -0.359 0.000 1.039 69 V CA -1.308 60.486 62.300 -0.842 0.000 1.055 69 V CB 0.757 32.009 31.823 -0.951 0.000 0.969 69 V HN 0.338 nan 8.190 nan 0.000 0.482 70 P HA 0.330 nan 4.420 nan 0.000 0.294 70 P C 0.441 177.718 177.300 -0.038 0.000 1.294 70 P CA -0.520 62.529 63.100 -0.085 0.000 0.827 70 P CB 1.643 33.340 31.700 -0.006 0.000 0.992 71 E N 1.714 121.887 120.200 -0.045 0.000 2.169 71 E HA -0.233 4.117 4.350 0.000 0.000 0.202 71 E C 1.671 178.234 176.600 -0.062 0.000 1.016 71 E CA 2.423 58.788 56.400 -0.058 0.000 0.817 71 E CB -0.292 29.375 29.700 -0.055 0.000 0.736 71 E HN 0.438 nan 8.360 nan 0.000 0.462 72 S N -0.201 115.487 115.700 -0.021 0.000 2.383 72 S HA -0.231 4.239 4.470 0.000 0.000 0.229 72 S C 1.412 175.989 174.600 -0.039 0.000 1.030 72 S CA 1.125 59.312 58.200 -0.021 0.000 1.002 72 S CB -0.740 62.472 63.200 0.020 0.000 0.829 72 S HN 0.548 nan 8.310 nan 0.000 0.467 73 W N 2.694 123.902 121.300 -0.153 0.000 2.292 73 W HA -0.185 4.475 4.660 0.000 0.000 0.304 73 W C 1.590 177.993 176.519 -0.193 0.000 1.228 73 W CA 1.103 58.348 57.345 -0.166 0.000 1.241 73 W CB -0.641 28.692 29.460 -0.212 0.000 1.142 73 W HN 0.246 nan 8.180 nan 0.000 0.520 74 L N 0.056 120.956 121.223 -0.538 0.000 2.083 74 L HA -0.206 4.134 4.340 0.000 0.000 0.209 74 L C 2.516 179.106 176.870 -0.466 0.000 1.083 74 L CA 1.504 55.924 54.840 -0.700 0.000 0.752 74 L CB -0.669 41.039 42.059 -0.585 0.000 0.899 74 L HN -0.037 nan 8.230 nan 0.000 0.433 75 E N -1.458 118.565 120.200 -0.295 0.000 2.132 75 E HA 0.103 4.453 4.350 0.000 0.000 0.193 75 E C 0.271 176.779 176.600 -0.153 0.000 0.951 75 E CA 0.389 56.678 56.400 -0.184 0.000 0.843 75 E CB 0.282 29.914 29.700 -0.113 0.000 0.807 75 E HN 0.307 nan 8.360 nan 0.000 0.467 76 C N 2.215 121.436 119.300 -0.131 0.000 2.563 76 C HA 0.362 4.822 4.460 0.000 0.000 0.314 76 C C -0.094 174.883 174.990 -0.022 0.000 1.199 76 C CA -1.307 57.671 59.018 -0.067 0.000 1.564 76 C CB 1.446 29.170 27.740 -0.027 0.000 2.173 76 C HN 0.214 nan 8.230 nan 0.000 0.485 77 D N 1.602 122.008 120.400 0.011 0.000 2.419 77 D HA 0.194 4.834 4.640 0.000 0.000 0.236 77 D C 0.025 176.398 176.300 0.121 0.000 1.165 77 D CA 0.503 54.560 54.000 0.096 0.000 0.882 77 D CB 0.620 41.473 40.800 0.088 0.000 1.201 77 D HN 0.367 nan 8.370 nan 0.000 0.443 78 L N 2.508 123.834 121.223 0.171 0.000 2.421 78 L HA 0.206 4.546 4.340 0.000 0.000 0.263 78 L C -1.028 175.887 176.870 0.075 0.000 1.122 78 L CA -1.541 53.374 54.840 0.124 0.000 0.804 78 L CB 0.620 42.761 42.059 0.136 0.000 1.150 78 L HN 0.261 nan 8.230 nan 0.000 0.457 79 P HA -0.082 nan 4.420 nan 0.000 0.217 79 P C 0.634 177.951 177.300 0.027 0.000 1.154 79 P CA 1.031 64.153 63.100 0.036 0.000 0.841 79 P CB 0.186 31.903 31.700 0.028 0.000 0.788 80 E N 0.065 120.276 120.200 0.018 0.000 2.502 80 E HA 0.264 4.614 4.350 0.000 0.000 0.194 80 E C 0.755 177.351 176.600 -0.008 0.000 1.062 80 E CA -0.142 56.256 56.400 -0.003 0.000 0.867 80 E CB -0.490 29.192 29.700 -0.030 0.000 0.888 80 E HN 0.177 nan 8.360 nan 0.000 0.510 81 A N 1.540 124.368 122.820 0.013 0.000 2.425 81 A HA 0.108 4.428 4.320 0.000 0.000 0.249 81 A C -0.102 177.519 177.584 0.062 0.000 1.084 81 A CA -0.394 51.652 52.037 0.015 0.000 0.781 81 A CB 0.388 19.422 19.000 0.056 0.000 1.019 81 A HN 0.034 nan 8.150 nan 0.000 0.490 82 D N 0.537 121.000 120.400 0.105 0.000 2.387 82 D HA 0.418 5.058 4.640 0.000 0.000 0.255 82 D C -0.518 175.880 176.300 0.163 0.000 1.081 82 D CA 0.107 54.194 54.000 0.146 0.000 0.994 82 D CB 1.338 42.270 40.800 0.221 0.000 1.127 82 D HN 0.423 nan 8.370 nan 0.000 0.513 83 T N 0.801 115.435 114.554 0.134 0.000 2.758 83 T HA 0.430 4.780 4.350 0.000 0.000 0.285 83 T C -0.189 174.584 174.700 0.122 0.000 0.981 83 T CA -0.443 61.742 62.100 0.142 0.000 0.965 83 T CB 1.076 70.007 68.868 0.106 0.000 0.927 83 T HN 0.016 nan 8.240 nan 0.000 0.448 84 V N 3.707 123.725 119.914 0.173 0.000 3.001 84 V HA 0.513 4.633 4.120 0.000 0.000 0.314 84 V C -0.263 175.940 176.094 0.181 0.000 1.099 84 V CA -0.801 61.564 62.300 0.108 0.000 0.989 84 V CB 2.588 34.487 31.823 0.127 0.000 1.040 84 V HN 0.631 nan 8.190 nan 0.000 0.434 85 V N 3.474 123.469 119.914 0.136 0.000 2.546 85 V HA 0.432 4.552 4.120 0.000 0.000 0.284 85 V C -0.210 175.960 176.094 0.126 0.000 1.050 85 V CA -0.212 62.180 62.300 0.153 0.000 0.981 85 V CB 1.633 33.517 31.823 0.102 0.000 0.990 85 V HN 0.548 nan 8.190 nan 0.000 0.474 86 V N 7.609 127.532 119.914 0.015 0.000 2.487 86 V HA 0.478 4.598 4.120 0.000 0.000 0.298 86 V C -2.254 173.754 176.094 -0.145 0.000 1.028 86 V CA -1.592 60.585 62.300 -0.205 0.000 0.860 86 V CB 2.461 33.810 31.823 -0.790 0.000 0.991 86 V HN 0.778 nan 8.190 nan 0.000 0.427 87 P HA 0.615 nan 4.420 nan 0.000 0.282 87 P C -0.900 176.353 177.300 -0.079 0.000 1.259 87 P CA -0.300 62.707 63.100 -0.155 0.000 0.826 87 P CB 1.739 33.349 31.700 -0.149 0.000 1.064 88 S N -0.078 115.593 115.700 -0.048 0.000 2.656 88 S HA 0.382 4.852 4.470 0.000 0.000 0.265 88 S C -1.488 173.075 174.600 -0.062 0.000 1.110 88 S CA -1.013 57.144 58.200 -0.072 0.000 0.821 88 S CB 0.103 63.258 63.200 -0.076 0.000 1.099 88 S HN 0.358 nan 8.310 nan 0.000 0.471 89 N N 1.033 119.619 118.700 -0.189 0.000 2.417 89 N HA 0.449 5.189 4.740 0.000 0.000 0.274 89 N C 0.429 175.790 175.510 -0.247 0.000 0.987 89 N CA -0.759 52.155 53.050 -0.227 0.000 0.912 89 N CB 0.760 39.071 38.487 -0.294 0.000 1.177 89 N HN 0.828 nan 8.380 nan 0.000 0.490 90 W N 2.780 123.960 121.300 -0.199 0.000 2.421 90 W HA -0.090 4.570 4.660 0.000 0.000 0.270 90 W C 0.877 177.371 176.519 -0.042 0.000 1.233 90 W CA 0.909 58.135 57.345 -0.197 0.000 1.226 90 W CB -0.385 28.888 29.460 -0.311 0.000 1.121 90 W HN 0.509 nan 8.180 nan 0.000 0.579 91 Q N 0.298 120.089 119.800 -0.015 0.000 2.224 91 Q HA -0.105 4.235 4.340 0.000 0.000 0.203 91 Q C 2.029 177.999 176.000 -0.050 0.000 0.970 91 Q CA 1.596 57.409 55.803 0.016 0.000 0.865 91 Q CB -0.565 28.065 28.738 -0.180 0.000 0.922 91 Q HN 0.211 nan 8.270 nan 0.000 0.445 92 M N -0.938 118.572 119.600 -0.151 0.000 2.630 92 M HA -0.024 4.456 4.480 0.000 0.000 0.254 92 M C 0.473 176.773 176.300 -0.001 0.000 1.092 92 M CA 1.263 56.468 55.300 -0.159 0.000 1.087 92 M CB -0.519 31.925 32.600 -0.260 0.000 1.453 92 M HN 0.345 nan 8.290 nan 0.000 0.509 93 H N -1.620 117.486 119.070 0.059 0.000 2.755 93 H HA 0.357 4.913 4.556 0.000 0.000 0.273 93 H C 1.321 176.541 175.328 -0.180 0.000 1.055 93 H CA 0.193 56.254 56.048 0.023 0.000 1.191 93 H CB 0.734 30.610 29.762 0.191 0.000 1.536 93 H HN 0.492 nan 8.280 nan 0.000 0.529 94 G N 0.467 109.262 108.800 -0.008 0.000 2.195 94 G HA2 -0.358 3.602 3.960 0.000 0.000 0.224 94 G HA3 -0.358 3.602 3.960 0.000 0.000 0.224 94 G C 0.529 175.285 174.900 -0.238 0.000 0.990 94 G CA 0.278 45.275 45.100 -0.171 0.000 0.639 94 G HN 0.406 nan 8.290 nan 0.000 0.514 95 Y N 2.152 122.421 120.300 -0.050 0.000 2.165 95 Y HA 0.202 4.752 4.550 0.000 0.000 0.286 95 Y C 1.675 177.296 175.900 -0.465 0.000 1.155 95 Y CA 1.613 59.509 58.100 -0.340 0.000 1.164 95 Y CB -0.196 37.984 38.460 -0.467 0.000 0.978 95 Y HN 0.634 nan 8.280 nan 0.000 0.513 96 D N -2.314 118.164 120.400 0.130 0.000 2.692 96 D HA 0.549 5.189 4.640 0.000 0.000 0.303 96 D C -1.190 175.213 176.300 0.171 0.000 1.278 96 D CA -0.818 53.282 54.000 0.166 0.000 0.852 96 D CB 0.806 41.876 40.800 0.450 0.000 1.375 96 D HN 0.038 nan 8.370 nan 0.000 0.453 97 A N -0.244 122.681 122.820 0.176 0.000 2.304 97 A HA 0.717 5.037 4.320 0.000 0.000 0.301 97 A C -2.430 175.194 177.584 0.067 0.000 1.132 97 A CA -1.244 50.870 52.037 0.129 0.000 0.819 97 A CB 0.149 19.280 19.000 0.218 0.000 1.094 97 A HN 0.505 nan 8.150 nan 0.000 0.492 98 P HA 0.464 nan 4.420 nan 0.000 0.278 98 P C -0.872 176.576 177.300 0.247 0.000 1.238 98 P CA 0.061 63.110 63.100 -0.085 0.000 0.794 98 P CB 0.703 32.101 31.700 -0.502 0.000 0.955 99 I N 2.400 123.201 120.570 0.386 0.000 2.441 99 I HA 0.284 4.454 4.170 0.000 0.000 0.295 99 I C -0.504 175.800 176.117 0.312 0.000 0.994 99 I CA -0.943 60.584 61.300 0.377 0.000 1.144 99 I CB 1.624 39.773 38.000 0.249 0.000 1.314 99 I HN 0.312 nan 8.210 nan 0.000 0.445 100 Y N 5.590 125.855 120.300 -0.059 0.000 2.842 100 Y HA 0.427 4.977 4.550 0.000 0.000 0.334 100 Y C -0.248 175.497 175.900 -0.259 0.000 1.019 100 Y CA -0.323 57.462 58.100 -0.524 0.000 1.258 100 Y CB 0.972 38.498 38.460 -1.556 0.000 1.106 100 Y HN 0.549 nan 8.280 nan 0.000 0.545 101 T N 3.861 117.898 114.554 -0.862 0.000 2.887 101 T HA 0.270 4.620 4.350 0.000 0.000 0.288 101 T C 0.328 174.520 174.700 -0.846 0.000 1.021 101 T CA -0.507 61.141 62.100 -0.753 0.000 1.000 101 T CB 1.398 70.047 68.868 -0.366 0.000 1.034 101 T HN 0.866 nan 8.240 nan 0.000 0.467 102 N N 2.093 120.371 118.700 -0.704 0.000 2.335 102 N HA 0.034 4.774 4.740 0.000 0.000 0.197 102 N C 1.456 176.693 175.510 -0.455 0.000 1.045 102 N CA 0.483 53.233 53.050 -0.499 0.000 0.928 102 N CB 0.218 38.436 38.487 -0.448 0.000 1.118 102 N HN 0.354 nan 8.380 nan 0.000 0.471 103 V N 0.490 120.071 119.914 -0.555 0.000 2.436 103 V HA 0.053 4.173 4.120 0.000 0.000 0.240 103 V C 0.558 176.311 176.094 -0.568 0.000 1.040 103 V CA 0.777 62.654 62.300 -0.706 0.000 1.052 103 V CB -0.063 31.271 31.823 -0.814 0.000 0.707 103 V HN 0.321 nan 8.190 nan 0.000 0.469 104 T N 1.223 115.520 114.554 -0.429 0.000 2.867 104 T HA 0.114 4.464 4.350 0.000 0.000 0.297 104 T C -0.404 174.145 174.700 -0.252 0.000 0.989 104 T CA 0.327 62.255 62.100 -0.287 0.000 1.159 104 T CB -0.342 68.394 68.868 -0.221 0.000 0.928 104 T HN 0.192 nan 8.240 nan 0.000 0.538 105 Y N 5.199 125.390 120.300 -0.182 0.000 2.597 105 Y HA 0.111 4.661 4.550 0.000 0.000 0.336 105 Y C -0.875 174.888 175.900 -0.229 0.000 1.216 105 Y CA -1.824 56.156 58.100 -0.200 0.000 1.463 105 Y CB 0.388 38.728 38.460 -0.200 0.000 1.303 105 Y HN 0.546 nan 8.280 nan 0.000 0.576 106 P HA -0.120 nan 4.420 nan 0.000 0.220 106 P C 0.165 177.276 177.300 -0.314 0.000 1.148 106 P CA 1.363 64.353 63.100 -0.183 0.000 0.803 106 P CB 0.149 31.748 31.700 -0.167 0.000 0.782 107 I N -4.406 115.896 120.570 -0.446 0.000 3.205 107 I HA 0.463 4.633 4.170 0.000 0.000 0.310 107 I C -0.483 175.495 176.117 -0.232 0.000 1.089 107 I CA -1.044 59.982 61.300 -0.457 0.000 1.023 107 I CB 1.267 38.834 38.000 -0.721 0.000 1.269 107 I HN -0.418 nan 8.210 nan 0.000 0.512 108 T N 2.230 116.688 114.554 -0.160 0.000 2.884 108 T HA 0.242 4.593 4.350 0.000 0.000 0.298 108 T C 0.140 174.819 174.700 -0.034 0.000 0.998 108 T CA -0.372 61.691 62.100 -0.061 0.000 1.124 108 T CB 1.143 70.003 68.868 -0.014 0.000 0.931 108 T HN 0.383 nan 8.240 nan 0.000 0.531 109 V N 4.611 124.523 119.914 -0.003 0.000 2.326 109 V HA 0.221 4.341 4.120 0.000 0.000 0.249 109 V C 0.656 176.794 176.094 0.074 0.000 1.114 109 V CA -0.171 62.148 62.300 0.033 0.000 1.028 109 V CB -0.678 31.147 31.823 0.003 0.000 1.170 109 V HN 0.810 nan 8.190 nan 0.000 0.494 110 N N 5.401 124.205 118.700 0.174 0.000 2.673 110 N HA 0.276 5.016 4.740 0.000 0.000 0.265 110 N C -2.974 172.581 175.510 0.074 0.000 1.709 110 N CA -1.454 51.686 53.050 0.149 0.000 0.792 110 N CB 1.461 40.092 38.487 0.240 0.000 1.286 110 N HN 0.250 nan 8.380 nan 0.000 0.506 111 P HA 0.150 nan 4.420 nan 0.000 0.262 111 P C -2.292 174.718 177.300 -0.483 0.000 1.182 111 P CA -0.686 61.950 63.100 -0.772 0.000 0.761 111 P CB 0.435 31.553 31.700 -0.970 0.000 0.795 112 P HA 0.250 nan 4.420 nan 0.000 0.266 112 P C -0.568 176.571 177.300 -0.269 0.000 1.561 112 P CA -0.344 62.500 63.100 -0.426 0.000 1.089 112 P CB 0.024 31.498 31.700 -0.377 0.000 1.534 113 F N -0.328 119.732 119.950 0.184 0.000 2.399 113 F HA 0.300 4.827 4.527 0.000 0.000 0.342 113 F C 1.143 177.113 175.800 0.283 0.000 1.106 113 F CA -0.836 57.281 58.000 0.196 0.000 1.196 113 F CB 0.989 40.055 39.000 0.111 0.000 1.163 113 F HN -0.286 nan 8.300 nan 0.000 0.547 114 V N 3.174 123.377 119.914 0.482 0.000 2.994 114 V HA 0.450 4.570 4.120 0.000 0.000 0.318 114 V C -1.958 174.322 176.094 0.309 0.000 1.085 114 V CA -1.943 60.567 62.300 0.350 0.000 0.998 114 V CB 2.096 34.222 31.823 0.504 0.000 1.063 114 V HN 0.550 nan 8.190 nan 0.000 0.447 115 P HA 0.141 nan 4.420 nan 0.000 0.274 115 P C 0.703 178.164 177.300 0.267 0.000 1.237 115 P CA 0.021 63.238 63.100 0.195 0.000 0.793 115 P CB 0.649 32.429 31.700 0.132 0.000 0.977 116 T N -1.047 113.628 114.554 0.201 0.000 2.833 116 T HA -0.141 4.209 4.350 0.000 0.000 0.269 116 T C 0.308 175.124 174.700 0.193 0.000 1.054 116 T CA 1.116 63.335 62.100 0.197 0.000 1.135 116 T CB -0.653 68.296 68.868 0.135 0.000 0.869 116 T HN 0.372 nan 8.240 nan 0.000 0.466 117 E N 2.833 123.151 120.200 0.197 0.000 1.996 117 E HA 0.440 4.790 4.350 0.000 0.000 0.280 117 E C -0.645 176.109 176.600 0.256 0.000 1.092 117 E CA -0.271 56.245 56.400 0.193 0.000 0.862 117 E CB 0.442 30.262 29.700 0.199 0.000 1.066 117 E HN 0.366 nan 8.360 nan 0.000 0.396 118 N N 3.626 122.427 118.700 0.168 0.000 2.577 118 N HA 0.267 5.007 4.740 0.000 0.000 0.275 118 N C -2.848 172.629 175.510 -0.055 0.000 1.091 118 N CA -2.627 50.520 53.050 0.162 0.000 0.843 118 N CB 1.147 39.777 38.487 0.238 0.000 1.295 118 N HN -0.005 nan 8.380 nan 0.000 0.530 119 P HA -0.015 nan 4.420 nan 0.000 0.247 119 P C -0.652 176.523 177.300 -0.208 0.000 1.141 119 P CA 0.623 63.599 63.100 -0.206 0.000 0.858 119 P CB -0.106 31.749 31.700 0.257 0.000 0.804 120 T N 2.850 117.089 114.554 -0.525 0.000 2.837 120 T HA 0.550 4.900 4.350 0.000 0.000 0.285 120 T C 0.691 174.952 174.700 -0.731 0.000 0.984 120 T CA -0.395 61.444 62.100 -0.435 0.000 1.049 120 T CB 1.347 69.970 68.868 -0.408 0.000 0.947 120 T HN 0.301 nan 8.240 nan 0.000 0.472 121 G N 1.128 109.617 108.800 -0.519 0.000 2.605 121 G HA2 0.476 4.436 3.960 0.000 0.000 0.304 121 G HA3 0.476 4.436 3.960 0.000 0.000 0.304 121 G C -0.320 174.387 174.900 -0.323 0.000 1.333 121 G CA -0.486 44.203 45.100 -0.684 0.000 0.973 121 G HN 0.899 nan 8.290 nan 0.000 0.507 122 C N 3.028 121.896 119.300 -0.721 0.000 2.281 122 C HA 0.511 4.971 4.460 0.000 0.000 0.336 122 C C -0.387 174.471 174.990 -0.220 0.000 1.217 122 C CA -1.037 57.581 59.018 -0.668 0.000 1.730 122 C CB -1.751 24.991 27.740 -1.662 0.000 2.338 122 C HN 0.598 nan 8.230 nan 0.000 0.521 123 Y N 1.769 122.240 120.300 0.284 0.000 2.457 123 Y HA 0.671 5.221 4.550 0.000 0.000 0.333 123 Y C 0.763 177.120 175.900 0.762 0.000 1.119 123 Y CA -0.433 58.004 58.100 0.562 0.000 1.143 123 Y CB 1.482 40.286 38.460 0.573 0.000 1.230 123 Y HN 0.732 nan 8.280 nan 0.000 0.469 124 S N 1.907 118.112 115.700 0.843 0.000 2.537 124 S HA 0.786 5.256 4.470 0.000 0.000 0.271 124 S C -1.814 172.869 174.600 0.138 0.000 1.148 124 S CA -0.827 57.665 58.200 0.486 0.000 0.868 124 S CB 1.882 65.305 63.200 0.372 0.000 1.115 124 S HN 0.753 nan 8.310 nan 0.000 0.461 125 L N 0.662 121.808 121.223 -0.129 0.000 2.513 125 L HA 0.781 5.121 4.340 0.000 0.000 0.261 125 L C -1.445 175.383 176.870 -0.069 0.000 0.945 125 L CA 0.024 54.623 54.840 -0.402 0.000 0.848 125 L CB 2.358 43.587 42.059 -1.383 0.000 1.334 125 L HN 0.863 nan 8.230 nan 0.000 0.407 126 T N 5.232 119.767 114.554 -0.033 0.000 2.770 126 T HA 0.748 5.098 4.350 0.000 0.000 0.283 126 T C -0.914 173.853 174.700 0.112 0.000 0.988 126 T CA -0.079 62.045 62.100 0.040 0.000 0.957 126 T CB 0.378 69.226 68.868 -0.034 0.000 0.930 126 T HN 0.487 nan 8.240 nan 0.000 0.443 127 F N 0.851 120.717 119.950 -0.140 0.000 2.685 127 F HA 0.734 5.261 4.527 0.000 0.000 0.315 127 F C -0.916 174.824 175.800 -0.100 0.000 1.126 127 F CA -1.514 56.410 58.000 -0.127 0.000 0.950 127 F CB 1.372 40.286 39.000 -0.143 0.000 1.360 127 F HN 0.228 nan 8.300 nan 0.000 0.469 128 N N 0.162 118.782 118.700 -0.132 0.000 2.399 128 N HA 0.665 5.405 4.740 0.000 0.000 0.295 128 N C -1.644 173.789 175.510 -0.129 0.000 1.048 128 N CA -0.580 52.355 53.050 -0.191 0.000 0.886 128 N CB 2.183 40.600 38.487 -0.117 0.000 1.185 128 N HN 0.576 nan 8.380 nan 0.000 0.487 129 V N 1.493 121.295 119.914 -0.188 0.000 2.459 129 V HA 0.243 4.364 4.120 0.000 0.000 0.295 129 V C -0.245 175.715 176.094 -0.224 0.000 1.029 129 V CA -0.951 61.247 62.300 -0.170 0.000 0.874 129 V CB 1.518 33.304 31.823 -0.061 0.000 0.985 129 V HN 0.661 nan 8.190 nan 0.000 0.438 130 D N 3.183 123.339 120.400 -0.407 0.000 2.424 130 D HA -0.014 4.626 4.640 0.000 0.000 0.244 130 D C 1.300 177.507 176.300 -0.156 0.000 1.134 130 D CA 0.116 53.924 54.000 -0.321 0.000 0.881 130 D CB 1.202 41.748 40.800 -0.424 0.000 1.191 130 D HN 0.833 nan 8.370 nan 0.000 0.445 131 E N 2.237 122.392 120.200 -0.076 0.000 2.347 131 E HA -0.195 4.155 4.350 0.000 0.000 0.196 131 E C 1.358 177.986 176.600 0.047 0.000 1.008 131 E CA 0.775 57.172 56.400 -0.004 0.000 0.852 131 E CB -0.031 29.665 29.700 -0.007 0.000 0.783 131 E HN 0.367 nan 8.360 nan 0.000 0.505 132 S N 0.342 116.068 115.700 0.044 0.000 2.370 132 S HA -0.184 4.286 4.470 0.000 0.000 0.226 132 S C 1.442 176.140 174.600 0.163 0.000 1.033 132 S CA 1.310 59.571 58.200 0.101 0.000 1.011 132 S CB -0.596 62.673 63.200 0.115 0.000 0.852 132 S HN 0.585 nan 8.310 nan 0.000 0.457 133 W N 1.387 122.546 121.300 -0.236 0.000 2.392 133 W HA 0.195 4.855 4.660 0.000 0.000 0.279 133 W C 2.121 178.587 176.519 -0.087 0.000 1.225 133 W CA 0.088 57.165 57.345 -0.447 0.000 1.233 133 W CB -0.800 28.426 29.460 -0.390 0.000 1.122 133 W HN 0.338 nan 8.180 nan 0.000 0.561 134 L N -0.542 120.811 121.223 0.217 0.000 2.341 134 L HA -0.138 4.202 4.340 0.000 0.000 0.214 134 L C 2.198 179.143 176.870 0.125 0.000 1.115 134 L CA 0.873 55.812 54.840 0.165 0.000 0.820 134 L CB -0.254 41.872 42.059 0.112 0.000 0.944 134 L HN -0.000 nan 8.230 nan 0.000 0.452 135 Q N -0.258 119.609 119.800 0.112 0.000 2.008 135 Q HA -0.084 4.256 4.340 0.000 0.000 0.196 135 Q C 0.842 176.899 176.000 0.094 0.000 0.973 135 Q CA 0.899 56.754 55.803 0.086 0.000 0.826 135 Q CB 0.011 28.789 28.738 0.068 0.000 0.894 135 Q HN 0.193 nan 8.270 nan 0.000 0.439 136 E N 0.593 120.866 120.200 0.122 0.000 2.235 136 E HA 0.463 4.814 4.350 0.000 0.000 0.265 136 E C 0.295 177.000 176.600 0.175 0.000 0.940 136 E CA 0.015 56.484 56.400 0.116 0.000 0.819 136 E CB 1.265 31.018 29.700 0.089 0.000 1.206 136 E HN 0.287 nan 8.360 nan 0.000 0.409 137 G N 1.886 110.710 108.800 0.040 0.000 2.632 137 G HA2 -0.195 3.765 3.960 0.000 0.000 0.224 137 G HA3 -0.195 3.765 3.960 0.000 0.000 0.224 137 G C -0.946 173.887 174.900 -0.111 0.000 1.341 137 G CA 0.050 45.070 45.100 -0.133 0.000 0.880 137 G HN 0.783 nan 8.290 nan 0.000 0.566 138 Q N -0.397 119.208 119.800 -0.325 0.000 2.347 138 Q HA 0.646 4.986 4.340 0.000 0.000 0.271 138 Q C -1.292 174.600 176.000 -0.179 0.000 1.064 138 Q CA -0.442 55.259 55.803 -0.170 0.000 0.800 138 Q CB 1.892 30.558 28.738 -0.120 0.000 1.304 138 Q HN 0.643 nan 8.270 nan 0.000 0.438 139 T N 4.966 119.544 114.554 0.040 0.000 2.815 139 T HA 0.483 4.833 4.350 0.000 0.000 0.289 139 T C -0.715 174.067 174.700 0.137 0.000 1.000 139 T CA -0.630 61.545 62.100 0.125 0.000 0.958 139 T CB 0.566 69.624 68.868 0.317 0.000 0.944 139 T HN 0.625 nan 8.240 nan 0.000 0.442 140 R N 3.168 123.725 120.500 0.094 0.000 2.854 140 R HA 0.757 5.097 4.340 0.000 0.000 0.271 140 R C -1.231 175.135 176.300 0.110 0.000 0.994 140 R CA -0.980 55.191 56.100 0.118 0.000 0.945 140 R CB 1.661 32.016 30.300 0.092 0.000 1.194 140 R HN 0.531 nan 8.270 nan 0.000 0.476 141 I N 2.724 123.367 120.570 0.123 0.000 2.460 141 I HA 0.431 4.601 4.170 0.000 0.000 0.298 141 I C -1.030 175.095 176.117 0.013 0.000 0.989 141 I CA -1.365 59.950 61.300 0.025 0.000 1.173 141 I CB 1.399 39.393 38.000 -0.010 0.000 1.338 141 I HN 0.620 nan 8.210 nan 0.000 0.456 142 I N 7.228 127.703 120.570 -0.158 0.000 2.418 142 I HA 0.285 4.455 4.170 0.000 0.000 0.287 142 I C -1.254 174.655 176.117 -0.347 0.000 1.008 142 I CA -0.406 60.816 61.300 -0.129 0.000 1.104 142 I CB 1.551 39.513 38.000 -0.064 0.000 1.264 142 I HN 0.369 nan 8.210 nan 0.000 0.438 143 F N 4.520 124.479 119.950 0.015 0.000 2.334 143 F HA 0.266 4.793 4.527 0.000 0.000 0.367 143 F C 1.319 177.025 175.800 -0.156 0.000 1.115 143 F CA -0.493 57.448 58.000 -0.099 0.000 1.116 143 F CB 0.741 39.656 39.000 -0.141 0.000 1.230 143 F HN 0.462 nan 8.300 nan 0.000 0.484 144 D N 2.336 122.691 120.400 -0.075 0.000 2.263 144 D HA 0.016 4.656 4.640 0.000 0.000 0.208 144 D C 1.002 177.157 176.300 -0.243 0.000 0.971 144 D CA 1.057 54.960 54.000 -0.163 0.000 0.867 144 D CB 0.285 40.946 40.800 -0.232 0.000 0.929 144 D HN 0.648 nan 8.370 nan 0.000 0.492 145 G N -0.879 107.707 108.800 -0.357 0.000 2.682 145 G HA2 0.431 4.391 3.960 0.000 0.000 0.300 145 G HA3 0.431 4.391 3.960 0.000 0.000 0.300 145 G C -1.621 172.908 174.900 -0.618 0.000 1.396 145 G CA -0.514 44.243 45.100 -0.571 0.000 1.104 145 G HN -0.051 nan 8.290 nan 0.000 0.587 146 V N 2.386 122.155 119.914 -0.241 0.000 2.612 146 V HA 0.556 4.676 4.120 0.000 0.000 0.301 146 V C -0.898 175.258 176.094 0.103 0.000 1.059 146 V CA -1.165 61.030 62.300 -0.176 0.000 0.886 146 V CB 1.951 33.400 31.823 -0.623 0.000 1.007 146 V HN 0.756 nan 8.190 nan 0.000 0.426 147 N N 2.350 121.141 118.700 0.152 0.000 2.372 147 N HA 0.366 5.106 4.740 0.000 0.000 0.285 147 N C 0.620 176.081 175.510 -0.083 0.000 1.008 147 N CA 0.187 53.258 53.050 0.035 0.000 0.880 147 N CB 2.377 40.785 38.487 -0.131 0.000 1.239 147 N HN 0.667 nan 8.380 nan 0.000 0.484 148 S N 2.055 117.735 115.700 -0.033 0.000 2.505 148 S HA 0.541 5.011 4.470 0.000 0.000 0.216 148 S C 0.322 174.987 174.600 0.108 0.000 1.018 148 S CA 0.218 58.450 58.200 0.052 0.000 0.911 148 S CB 0.240 63.487 63.200 0.078 0.000 0.818 148 S HN 0.697 nan 8.310 nan 0.000 0.497 149 A N 0.723 123.620 122.820 0.129 0.000 2.606 149 A HA 0.795 5.115 4.320 0.000 0.000 0.293 149 A C -1.268 176.459 177.584 0.239 0.000 1.082 149 A CA -0.933 51.167 52.037 0.105 0.000 0.685 149 A CB 0.939 20.020 19.000 0.134 0.000 1.284 149 A HN 1.189 nan 8.150 nan 0.000 0.408 150 F N -0.663 119.165 119.950 -0.203 0.000 2.725 150 F HA 0.695 5.223 4.527 0.000 0.000 0.309 150 F C -1.366 174.440 175.800 0.009 0.000 1.132 150 F CA -0.777 57.192 58.000 -0.052 0.000 0.957 150 F CB 1.015 39.954 39.000 -0.101 0.000 1.286 150 F HN 0.644 nan 8.300 nan 0.000 0.440 151 H N 2.028 121.294 119.070 0.326 0.000 2.499 151 H HA 0.774 5.330 4.556 0.000 0.000 0.340 151 H C -1.422 173.974 175.328 0.113 0.000 1.148 151 H CA -0.719 55.439 56.048 0.183 0.000 1.215 151 H CB 2.422 32.322 29.762 0.231 0.000 1.529 151 H HN 0.816 nan 8.280 nan 0.000 0.510 152 L N 2.406 123.526 121.223 -0.173 0.000 2.408 152 L HA 0.413 4.753 4.340 0.000 0.000 0.268 152 L C -1.738 174.877 176.870 -0.426 0.000 0.986 152 L CA -0.529 54.243 54.840 -0.114 0.000 0.820 152 L CB 1.727 43.586 42.059 -0.332 0.000 1.303 152 L HN 0.513 nan 8.230 nan 0.000 0.411 153 W N 4.194 125.468 121.300 -0.043 0.000 2.761 153 W HA 0.624 5.284 4.660 0.000 0.000 0.340 153 W C -1.137 175.316 176.519 -0.111 0.000 1.072 153 W CA -0.789 56.500 57.345 -0.094 0.000 1.215 153 W CB 2.094 31.528 29.460 -0.043 0.000 1.420 153 W HN 0.646 nan 8.180 nan 0.000 0.519 154 C N 4.837 124.208 119.300 0.119 0.000 2.397 154 C HA 0.299 4.759 4.460 0.000 0.000 0.325 154 C C 0.163 175.254 174.990 0.168 0.000 1.201 154 C CA -0.389 58.684 59.018 0.091 0.000 1.377 154 C CB -0.497 27.219 27.740 -0.039 0.000 2.038 154 C HN 0.808 nan 8.230 nan 0.000 0.457 155 N N 3.712 122.481 118.700 0.115 0.000 2.727 155 N HA -0.187 4.553 4.740 0.000 0.000 0.249 155 N C 0.985 176.553 175.510 0.097 0.000 1.048 155 N CA 2.064 55.160 53.050 0.078 0.000 0.714 155 N CB -1.331 37.206 38.487 0.083 0.000 0.959 155 N HN 1.873 nan 8.380 nan 0.000 0.544 156 G N -1.275 107.573 108.800 0.080 0.000 2.225 156 G HA2 -0.372 3.588 3.960 0.000 0.000 0.254 156 G HA3 -0.372 3.588 3.960 0.000 0.000 0.254 156 G C 0.174 175.243 174.900 0.281 0.000 0.988 156 G CA 0.550 45.691 45.100 0.069 0.000 0.625 156 G HN 0.550 nan 8.290 nan 0.000 0.527 157 R N -0.708 120.018 120.500 0.377 0.000 2.312 157 R HA 0.415 4.755 4.340 0.000 0.000 0.311 157 R C -0.150 176.430 176.300 0.466 0.000 1.004 157 R CA -0.858 55.536 56.100 0.490 0.000 0.902 157 R CB 0.748 31.372 30.300 0.540 0.000 1.073 157 R HN 0.249 nan 8.270 nan 0.000 0.457 158 W N 4.190 125.622 121.300 0.219 0.000 2.308 158 W HA 0.055 4.715 4.660 0.000 0.000 0.324 158 W C 0.025 176.386 176.519 -0.263 0.000 1.387 158 W CA 0.065 57.166 57.345 -0.406 0.000 1.250 158 W CB 0.616 29.848 29.460 -0.379 0.000 1.257 158 W HN 0.354 nan 8.180 nan 0.000 0.554 159 V N 5.520 124.579 119.914 -1.425 0.000 2.806 159 V HA 0.542 4.662 4.120 0.000 0.000 0.239 159 V C 1.082 176.201 176.094 -1.624 0.000 1.113 159 V CA 0.974 62.492 62.300 -1.304 0.000 1.137 159 V CB -0.363 30.762 31.823 -1.163 0.000 0.865 159 V HN 0.801 nan 8.190 nan 0.000 0.482 160 G N -1.678 105.942 108.800 -1.966 0.000 2.340 160 G HA2 0.463 4.423 3.960 0.000 0.000 0.299 160 G HA3 0.463 4.423 3.960 0.000 0.000 0.299 160 G C -2.462 172.158 174.900 -0.468 0.000 1.291 160 G CA -0.281 44.138 45.100 -1.136 0.000 0.841 160 G HN -0.017 nan 8.290 nan 0.000 0.500 161 Y N -0.543 119.645 120.300 -0.186 0.000 2.562 161 Y HA 0.727 5.277 4.550 0.000 0.000 0.345 161 Y C -0.075 175.650 175.900 -0.292 0.000 1.045 161 Y CA -0.145 57.759 58.100 -0.326 0.000 1.028 161 Y CB 2.266 40.663 38.460 -0.105 0.000 1.297 161 Y HN 1.291 nan 8.280 nan 0.000 0.463 162 G N 3.500 111.470 108.800 -1.384 0.000 2.733 162 G HA2 0.583 4.543 3.960 0.000 0.000 0.297 162 G HA3 0.583 4.543 3.960 0.000 0.000 0.297 162 G C -2.156 172.269 174.900 -0.792 0.000 1.422 162 G CA -0.902 43.662 45.100 -0.893 0.000 0.942 162 G HN 0.605 nan 8.290 nan 0.000 0.510 163 Q N -0.031 119.551 119.800 -0.363 0.000 2.496 163 Q HA 0.607 4.947 4.340 0.000 0.000 0.286 163 Q C -1.330 174.658 176.000 -0.020 0.000 1.103 163 Q CA -0.883 54.832 55.803 -0.148 0.000 0.813 163 Q CB 2.734 31.430 28.738 -0.070 0.000 1.444 163 Q HN 0.637 nan 8.270 nan 0.000 0.443 164 D N -0.073 120.357 120.400 0.049 0.000 4.370 164 D HA -0.098 4.542 4.640 0.000 0.000 0.238 164 D C -0.401 175.957 176.300 0.096 0.000 1.104 164 D CA 0.551 54.597 54.000 0.077 0.000 1.101 164 D CB -0.681 40.150 40.800 0.051 0.000 0.749 164 D HN 0.569 nan 8.370 nan 0.000 0.351 165 S N 3.109 118.882 115.700 0.122 0.000 2.500 165 S HA -0.163 4.307 4.470 0.000 0.000 0.239 165 S C 1.696 176.415 174.600 0.199 0.000 0.989 165 S CA 1.001 59.302 58.200 0.169 0.000 0.951 165 S CB 0.024 63.315 63.200 0.151 0.000 0.759 165 S HN 0.642 nan 8.310 nan 0.000 0.523 166 R N 0.287 120.873 120.500 0.142 0.000 2.334 166 R HA 0.397 4.737 4.340 0.000 0.000 0.212 166 R C 0.140 176.499 176.300 0.099 0.000 0.897 166 R CA 0.069 56.255 56.100 0.143 0.000 1.056 166 R CB -0.204 30.186 30.300 0.149 0.000 1.046 166 R HN 0.342 nan 8.270 nan 0.000 0.513 167 L N 1.915 123.171 121.223 0.056 0.000 2.333 167 L HA 0.501 4.841 4.340 0.000 0.000 0.263 167 L C -2.432 174.426 176.870 -0.020 0.000 1.014 167 L CA -2.695 52.151 54.840 0.011 0.000 0.820 167 L CB 2.445 44.502 42.059 -0.004 0.000 1.352 167 L HN -0.210 nan 8.230 nan 0.000 0.421 168 P HA 0.055 nan 4.420 nan 0.000 0.265 168 P C -1.057 176.227 177.300 -0.027 0.000 1.193 168 P CA -0.044 63.028 63.100 -0.048 0.000 0.765 168 P CB 0.650 32.287 31.700 -0.105 0.000 0.823 169 S N 2.066 117.810 115.700 0.073 0.000 2.449 169 S HA 0.344 4.814 4.470 0.000 0.000 0.310 169 S C -0.349 174.261 174.600 0.018 0.000 1.096 169 S CA -0.642 57.578 58.200 0.033 0.000 1.095 169 S CB 0.918 64.243 63.200 0.209 0.000 1.007 169 S HN 0.371 nan 8.310 nan 0.000 0.474 170 E N 1.913 121.938 120.200 -0.291 0.000 2.238 170 E HA 0.616 4.966 4.350 0.000 0.000 0.267 170 E C -1.458 174.879 176.600 -0.439 0.000 0.887 170 E CA -0.629 55.674 56.400 -0.162 0.000 0.769 170 E CB 1.617 31.308 29.700 -0.016 0.000 1.187 170 E HN 0.428 nan 8.360 nan 0.000 0.416 171 F N 0.161 120.169 119.950 0.097 0.000 2.588 171 F HA 0.246 4.773 4.527 0.000 0.000 0.310 171 F C -0.071 175.758 175.800 0.049 0.000 1.082 171 F CA -1.254 56.776 58.000 0.050 0.000 0.929 171 F CB 1.186 40.185 39.000 -0.002 0.000 1.254 171 F HN 0.235 nan 8.300 nan 0.000 0.455 172 D N 2.213 122.772 120.400 0.264 0.000 2.339 172 D HA 0.232 4.872 4.640 0.000 0.000 0.256 172 D C 0.467 176.909 176.300 0.236 0.000 1.214 172 D CA 0.391 54.513 54.000 0.204 0.000 0.877 172 D CB 0.977 41.886 40.800 0.182 0.000 1.111 172 D HN 0.596 nan 8.370 nan 0.000 0.478 173 L N 2.534 123.894 121.223 0.229 0.000 2.554 173 L HA -0.038 4.303 4.340 0.000 0.000 0.225 173 L C 2.216 179.338 176.870 0.419 0.000 1.104 173 L CA -0.084 54.925 54.840 0.283 0.000 0.866 173 L CB -0.001 42.189 42.059 0.218 0.000 1.047 173 L HN 0.321 nan 8.230 nan 0.000 0.468 174 S N 1.272 117.147 115.700 0.291 0.000 2.461 174 S HA -0.366 4.104 4.470 0.000 0.000 0.266 174 S C 1.780 176.491 174.600 0.185 0.000 1.138 174 S CA 2.134 60.465 58.200 0.217 0.000 1.146 174 S CB -0.323 62.964 63.200 0.144 0.000 1.042 174 S HN 0.584 nan 8.310 nan 0.000 0.448 175 A N -0.934 121.989 122.820 0.171 0.000 2.307 175 A HA 0.455 4.775 4.320 0.000 0.000 0.218 175 A C 0.929 178.389 177.584 -0.207 0.000 1.228 175 A CA 0.029 52.027 52.037 -0.065 0.000 0.857 175 A CB -0.273 18.565 19.000 -0.269 0.000 0.897 175 A HN 0.473 nan 8.150 nan 0.000 0.495 176 F N -1.041 118.949 119.950 0.068 0.000 2.746 176 F HA 0.370 4.897 4.527 0.000 0.000 0.313 176 F C 0.508 176.342 175.800 0.056 0.000 1.095 176 F CA -0.656 57.381 58.000 0.061 0.000 1.224 176 F CB -0.014 39.025 39.000 0.065 0.000 1.060 176 F HN -0.057 nan 8.300 nan 0.000 0.584 177 L N 1.984 123.368 121.223 0.270 0.000 2.397 177 L HA 0.344 4.684 4.340 0.000 0.000 0.271 177 L C 0.415 177.334 176.870 0.082 0.000 1.148 177 L CA -0.064 54.875 54.840 0.165 0.000 0.825 177 L CB 0.729 42.906 42.059 0.197 0.000 1.117 177 L HN 0.033 nan 8.230 nan 0.000 0.456 178 R N 1.461 121.971 120.500 0.018 0.000 2.787 178 R HA 0.681 5.021 4.340 0.000 0.000 0.271 178 R C -0.542 175.734 176.300 -0.039 0.000 0.993 178 R CA -0.890 55.201 56.100 -0.015 0.000 0.993 178 R CB 1.798 32.071 30.300 -0.044 0.000 1.155 178 R HN 0.703 nan 8.270 nan 0.000 0.486 179 A N 0.794 123.593 122.820 -0.035 0.000 2.388 179 A HA 0.562 4.882 4.320 0.000 0.000 0.257 179 A C 0.832 178.365 177.584 -0.085 0.000 1.095 179 A CA 0.704 52.712 52.037 -0.049 0.000 0.791 179 A CB 0.129 19.109 19.000 -0.032 0.000 1.029 179 A HN 0.870 nan 8.150 nan 0.000 0.489 180 G N 1.043 109.778 108.800 -0.108 0.000 2.536 180 G HA2 -0.215 3.746 3.960 0.000 0.000 0.277 180 G HA3 -0.215 3.746 3.960 0.000 0.000 0.277 180 G C 0.081 174.857 174.900 -0.206 0.000 1.155 180 G CA 0.302 45.322 45.100 -0.133 0.000 0.960 180 G HN 0.977 nan 8.290 nan 0.000 0.544 181 E N 2.334 122.420 120.200 -0.191 0.000 2.265 181 E HA 0.255 4.605 4.350 0.000 0.000 0.272 181 E C -0.083 176.324 176.600 -0.322 0.000 1.067 181 E CA 0.026 56.277 56.400 -0.248 0.000 0.900 181 E CB 0.111 29.712 29.700 -0.164 0.000 1.017 181 E HN 0.368 nan 8.360 nan 0.000 0.431 182 N N 2.792 121.144 118.700 -0.580 0.000 2.328 182 N HA 0.396 5.136 4.740 0.000 0.000 0.299 182 N C -0.790 174.437 175.510 -0.472 0.000 1.179 182 N CA -0.629 52.059 53.050 -0.604 0.000 0.793 182 N CB 2.182 40.085 38.487 -0.972 0.000 1.366 182 N HN 0.285 nan 8.380 nan 0.000 0.493 183 R N 1.540 121.945 120.500 -0.159 0.000 2.532 183 R HA 0.444 4.784 4.340 0.000 0.000 0.297 183 R C -1.176 175.204 176.300 0.133 0.000 0.984 183 R CA -0.508 55.599 56.100 0.012 0.000 0.884 183 R CB 1.086 31.353 30.300 -0.055 0.000 1.182 183 R HN 0.489 nan 8.270 nan 0.000 0.442 184 L N 2.989 124.347 121.223 0.225 0.000 2.307 184 L HA 0.641 4.981 4.340 0.000 0.000 0.282 184 L C -0.093 176.867 176.870 0.150 0.000 1.051 184 L CA -0.699 54.264 54.840 0.205 0.000 0.804 184 L CB 1.809 43.994 42.059 0.211 0.000 1.197 184 L HN 0.676 nan 8.230 nan 0.000 0.431 185 A N 3.677 126.590 122.820 0.156 0.000 2.375 185 A HA 0.669 4.989 4.320 0.000 0.000 0.291 185 A C -0.884 177.024 177.584 0.539 0.000 1.160 185 A CA -0.441 51.629 52.037 0.055 0.000 0.747 185 A CB 1.240 19.672 19.000 -0.946 0.000 1.170 185 A HN 0.380 nan 8.150 nan 0.000 0.458 186 V N 3.534 123.930 119.914 0.803 0.000 2.347 186 V HA 0.451 4.571 4.120 0.000 0.000 0.280 186 V C 0.131 176.716 176.094 0.817 0.000 1.021 186 V CA -0.243 62.505 62.300 0.746 0.000 0.847 186 V CB 1.204 33.309 31.823 0.471 0.000 0.990 186 V HN 0.944 nan 8.190 nan 0.000 0.444 187 M N 6.440 126.525 119.600 0.809 0.000 2.061 187 M HA 0.554 5.034 4.480 0.000 0.000 0.346 187 M C -1.284 175.251 176.300 0.390 0.000 1.112 187 M CA -0.319 55.272 55.300 0.485 0.000 1.021 187 M CB 1.136 34.065 32.600 0.548 0.000 1.530 187 M HN 0.455 nan 8.290 nan 0.000 0.437 188 V N 6.768 126.870 119.914 0.314 0.000 2.439 188 V HA 0.416 4.536 4.120 0.000 0.000 0.282 188 V C 0.033 176.279 176.094 0.253 0.000 1.039 188 V CA -0.743 61.742 62.300 0.307 0.000 0.913 188 V CB 1.178 33.222 31.823 0.368 0.000 0.983 188 V HN 0.791 nan 8.190 nan 0.000 0.460 189 L N 3.752 125.061 121.223 0.143 0.000 2.334 189 L HA 0.627 4.967 4.340 0.000 0.000 0.275 189 L C 1.285 178.132 176.870 -0.038 0.000 1.036 189 L CA -0.728 54.121 54.840 0.015 0.000 0.807 189 L CB 1.317 43.266 42.059 -0.183 0.000 1.231 189 L HN 0.539 nan 8.230 nan 0.000 0.438 190 R N 1.636 122.022 120.500 -0.191 0.000 2.055 190 R HA 0.024 4.364 4.340 0.000 0.000 0.228 190 R C -0.283 175.677 176.300 -0.567 0.000 1.143 190 R CA 1.409 57.137 56.100 -0.620 0.000 0.945 190 R CB 0.152 29.799 30.300 -1.089 0.000 0.841 190 R HN 0.613 nan 8.270 nan 0.000 0.429 191 W N 0.551 121.901 121.300 0.084 0.000 2.496 191 W HA 0.328 4.988 4.660 0.000 0.000 0.327 191 W C -0.061 176.568 176.519 0.183 0.000 1.086 191 W CA -0.846 56.560 57.345 0.103 0.000 1.222 191 W CB 1.462 30.987 29.460 0.110 0.000 1.304 191 W HN 0.046 nan 8.180 nan 0.000 0.547 192 S N -0.902 115.085 115.700 0.478 0.000 2.688 192 S HA 0.217 4.687 4.470 0.000 0.000 0.275 192 S C 0.149 175.001 174.600 0.420 0.000 1.175 192 S CA -0.545 57.948 58.200 0.488 0.000 0.818 192 S CB 1.297 64.748 63.200 0.419 0.000 1.157 192 S HN 0.620 nan 8.310 nan 0.000 0.482 193 D N 0.556 121.205 120.400 0.415 0.000 2.218 193 D HA 0.040 4.680 4.640 0.000 0.000 0.204 193 D C 1.815 178.416 176.300 0.501 0.000 0.976 193 D CA 1.266 55.547 54.000 0.468 0.000 0.853 193 D CB -0.799 40.149 40.800 0.246 0.000 0.939 193 D HN 0.700 nan 8.370 nan 0.000 0.481 194 G N 0.053 109.066 108.800 0.356 0.000 2.462 194 G HA2 -0.288 3.673 3.960 0.000 0.000 0.220 194 G HA3 -0.288 3.673 3.960 0.000 0.000 0.220 194 G C 1.725 176.801 174.900 0.292 0.000 1.121 194 G CA 0.838 46.120 45.100 0.303 0.000 0.758 194 G HN 0.324 nan 8.290 nan 0.000 0.559 195 S N -0.143 115.717 115.700 0.266 0.000 2.399 195 S HA -0.103 4.367 4.470 0.000 0.000 0.231 195 S C 1.901 176.586 174.600 0.142 0.000 1.022 195 S CA 0.764 59.082 58.200 0.197 0.000 0.983 195 S CB -0.400 62.910 63.200 0.184 0.000 0.803 195 S HN 0.566 nan 8.310 nan 0.000 0.480 196 Y N 1.018 121.421 120.300 0.171 0.000 2.483 196 Y HA 0.072 4.622 4.550 0.000 0.000 0.291 196 Y C 1.501 177.497 175.900 0.160 0.000 1.143 196 Y CA 0.606 58.736 58.100 0.051 0.000 1.289 196 Y CB -0.165 38.204 38.460 -0.151 0.000 0.983 196 Y HN 0.194 nan 8.280 nan 0.000 0.556 197 L N -0.206 121.200 121.223 0.305 0.000 2.769 197 L HA 0.149 4.489 4.340 0.000 0.000 0.240 197 L C 0.036 177.039 176.870 0.222 0.000 1.163 197 L CA 0.345 55.322 54.840 0.228 0.000 0.962 197 L CB 0.123 42.315 42.059 0.221 0.000 1.258 197 L HN 0.157 nan 8.230 nan 0.000 0.513 198 E N -0.298 120.048 120.200 0.244 0.000 3.646 198 E HA 0.041 4.391 4.350 0.000 0.000 0.211 198 E C -0.453 176.253 176.600 0.176 0.000 1.034 198 E CA -0.071 56.457 56.400 0.213 0.000 1.341 198 E CB 0.528 30.348 29.700 0.199 0.000 1.202 198 E HN 0.030 nan 8.360 nan 0.000 0.447 199 D N 1.344 121.812 120.400 0.112 0.000 2.519 199 D HA 0.014 4.654 4.640 0.000 0.000 0.238 199 D C -0.172 176.119 176.300 -0.015 0.000 1.192 199 D CA -0.002 53.952 54.000 -0.077 0.000 0.835 199 D CB 0.088 40.603 40.800 -0.475 0.000 0.975 199 D HN 0.066 nan 8.370 nan 0.000 0.490 200 Q N 0.362 120.244 119.800 0.137 0.000 2.421 200 Q HA 0.126 4.466 4.340 0.000 0.000 0.255 200 Q C -0.086 176.022 176.000 0.181 0.000 1.013 200 Q CA 0.036 55.986 55.803 0.244 0.000 0.895 200 Q CB 0.543 29.568 28.738 0.479 0.000 1.271 200 Q HN 0.042 nan 8.270 nan 0.000 0.460 201 D N 2.703 123.239 120.400 0.228 0.000 2.441 201 D HA 0.194 4.834 4.640 0.000 0.000 0.243 201 D C -0.816 175.635 176.300 0.250 0.000 1.257 201 D CA 0.155 54.255 54.000 0.167 0.000 1.027 201 D CB -0.401 40.519 40.800 0.200 0.000 1.084 201 D HN 0.485 nan 8.370 nan 0.000 0.514 202 M N 0.427 120.125 119.600 0.163 0.000 3.084 202 M HA 0.403 4.883 4.480 0.000 0.000 0.273 202 M C -1.262 175.140 176.300 0.171 0.000 1.242 202 M CA -1.208 54.157 55.300 0.108 0.000 0.819 202 M CB 1.062 33.655 32.600 -0.012 0.000 1.625 202 M HN -0.076 nan 8.290 nan 0.000 0.493 203 W N 1.933 123.329 121.300 0.160 0.000 2.210 203 W HA 0.350 5.010 4.660 0.000 0.000 0.330 203 W C 0.189 176.721 176.519 0.021 0.000 1.334 203 W CA -0.106 57.314 57.345 0.124 0.000 1.227 203 W CB 0.441 29.919 29.460 0.030 0.000 1.178 203 W HN 0.264 nan 8.180 nan 0.000 0.560 204 R N 4.825 125.496 120.500 0.283 0.000 2.205 204 R HA 0.394 4.734 4.340 0.000 0.000 0.342 204 R C -0.154 176.171 176.300 0.042 0.000 1.058 204 R CA -0.182 56.016 56.100 0.163 0.000 0.904 204 R CB 0.099 30.547 30.300 0.246 0.000 1.089 204 R HN 0.564 nan 8.270 nan 0.000 0.471 205 M N 0.212 119.734 119.600 -0.130 0.000 2.792 205 M HA 0.527 5.007 4.480 0.000 0.000 0.290 205 M C -0.119 175.868 176.300 -0.523 0.000 1.155 205 M CA -0.747 54.357 55.300 -0.326 0.000 0.781 205 M CB 2.222 34.620 32.600 -0.337 0.000 1.741 205 M HN 0.625 nan 8.290 nan 0.000 0.473 206 S N -1.260 114.000 115.700 -0.733 0.000 2.611 206 S HA 0.934 5.404 4.470 0.000 0.000 0.268 206 S C -0.579 173.567 174.600 -0.758 0.000 1.156 206 S CA -0.272 57.398 58.200 -0.884 0.000 0.817 206 S CB 1.657 64.137 63.200 -1.199 0.000 1.122 206 S HN 1.421 nan 8.310 nan 0.000 0.466 207 G N 0.067 108.628 108.800 -0.398 0.000 2.362 207 G HA2 0.129 4.089 3.960 0.000 0.000 0.517 207 G HA3 0.129 4.089 3.960 0.000 0.000 0.517 207 G C -1.401 173.486 174.900 -0.021 0.000 1.256 207 G CA -0.576 44.548 45.100 0.040 0.000 1.027 207 G HN 1.179 nan 8.290 nan 0.000 0.491 208 I N 2.068 122.502 120.570 -0.225 0.000 2.316 208 I HA 0.290 4.460 4.170 0.000 0.000 0.286 208 I C 1.131 177.117 176.117 -0.219 0.000 1.107 208 I CA -0.285 60.780 61.300 -0.392 0.000 1.219 208 I CB -0.127 37.417 38.000 -0.760 0.000 1.455 208 I HN 0.518 nan 8.210 nan 0.000 0.498 209 F N 4.102 123.916 119.950 -0.226 0.000 2.765 209 F HA 0.411 4.938 4.527 0.000 0.000 0.302 209 F C 0.698 176.435 175.800 -0.105 0.000 1.111 209 F CA -0.459 57.442 58.000 -0.164 0.000 1.359 209 F CB 0.083 38.985 39.000 -0.164 0.000 1.097 209 F HN 0.133 nan 8.300 nan 0.000 0.577 210 R N 0.566 120.659 120.500 -0.678 0.000 2.888 210 R HA 0.238 4.578 4.340 0.000 0.000 0.264 210 R C -1.037 175.096 176.300 -0.277 0.000 1.045 210 R CA -1.149 54.704 56.100 -0.411 0.000 0.962 210 R CB 0.502 30.535 30.300 -0.445 0.000 1.210 210 R HN -0.030 nan 8.270 nan 0.000 0.479 211 D N 0.771 121.074 120.400 -0.161 0.000 2.563 211 D HA 0.071 4.711 4.640 0.000 0.000 0.229 211 D C -0.306 175.899 176.300 -0.158 0.000 1.159 211 D CA 0.535 54.463 54.000 -0.120 0.000 0.869 211 D CB 0.373 41.139 40.800 -0.057 0.000 1.203 211 D HN 0.062 nan 8.370 nan 0.000 0.478 212 V N 1.172 121.004 119.914 -0.137 0.000 2.487 212 V HA 0.601 4.721 4.120 0.000 0.000 0.298 212 V C 0.009 176.016 176.094 -0.144 0.000 1.028 212 V CA -0.517 61.658 62.300 -0.208 0.000 0.860 212 V CB 1.796 33.518 31.823 -0.168 0.000 0.991 212 V HN 0.572 nan 8.190 nan 0.000 0.427 213 S N 4.194 119.772 115.700 -0.205 0.000 2.651 213 S HA 0.802 5.272 4.470 0.000 0.000 0.279 213 S C -1.184 173.367 174.600 -0.081 0.000 1.148 213 S CA -0.716 57.426 58.200 -0.097 0.000 0.837 213 S CB 2.028 65.198 63.200 -0.050 0.000 1.138 213 S HN 0.522 nan 8.310 nan 0.000 0.478 214 L N 1.888 123.132 121.223 0.036 0.000 2.386 214 L HA 0.689 5.029 4.340 0.000 0.000 0.271 214 L C -1.515 175.463 176.870 0.181 0.000 0.993 214 L CA -0.751 54.175 54.840 0.142 0.000 0.819 214 L CB 1.811 44.056 42.059 0.309 0.000 1.294 214 L HN 0.504 nan 8.230 nan 0.000 0.414 215 L N 2.297 123.578 121.223 0.096 0.000 2.410 215 L HA 0.503 4.843 4.340 0.000 0.000 0.270 215 L C -1.090 175.665 176.870 -0.191 0.000 0.983 215 L CA -0.264 54.560 54.840 -0.027 0.000 0.822 215 L CB 1.732 43.786 42.059 -0.008 0.000 1.285 215 L HN 0.495 nan 8.230 nan 0.000 0.409 216 H N 3.904 122.633 119.070 -0.567 0.000 2.541 216 H HA 0.576 5.132 4.556 0.000 0.000 0.316 216 H C -1.181 173.855 175.328 -0.486 0.000 1.043 216 H CA -0.187 55.368 56.048 -0.822 0.000 1.232 216 H CB 0.945 29.622 29.762 -1.808 0.000 1.406 216 H HN 0.624 nan 8.280 nan 0.000 0.469 217 K N 5.451 125.363 120.400 -0.813 0.000 2.385 217 K HA 0.424 4.744 4.320 0.000 0.000 0.248 217 K C -2.721 173.514 176.600 -0.609 0.000 0.955 217 K CA -2.450 53.489 56.287 -0.581 0.000 0.816 217 K CB 1.776 34.047 32.500 -0.380 0.000 1.250 217 K HN 0.428 nan 8.250 nan 0.000 0.434 218 P HA -0.005 nan 4.420 nan 0.000 0.271 218 P C 0.193 177.364 177.300 -0.216 0.000 1.233 218 P CA -0.131 62.813 63.100 -0.260 0.000 0.789 218 P CB 0.484 32.086 31.700 -0.163 0.000 0.951 219 T N -2.606 111.859 114.554 -0.147 0.000 2.867 219 T HA -0.043 4.307 4.350 0.000 0.000 0.268 219 T C 0.672 175.303 174.700 -0.115 0.000 1.057 219 T CA 1.268 63.300 62.100 -0.114 0.000 1.136 219 T CB -0.808 68.018 68.868 -0.071 0.000 0.874 219 T HN 0.318 nan 8.240 nan 0.000 0.466 220 T N 3.404 117.889 114.554 -0.115 0.000 2.853 220 T HA 0.437 4.787 4.350 0.000 0.000 0.317 220 T C -0.280 174.334 174.700 -0.142 0.000 1.059 220 T CA -0.795 61.229 62.100 -0.128 0.000 0.954 220 T CB 0.670 69.473 68.868 -0.108 0.000 0.994 220 T HN 0.583 nan 8.240 nan 0.000 0.479 221 Q N 2.508 122.207 119.800 -0.168 0.000 2.605 221 Q HA 0.626 4.966 4.340 0.000 0.000 0.296 221 Q C -0.959 174.931 176.000 -0.183 0.000 1.056 221 Q CA -1.228 54.461 55.803 -0.191 0.000 0.778 221 Q CB 1.493 30.081 28.738 -0.251 0.000 1.497 221 Q HN 0.412 nan 8.270 nan 0.000 0.443 222 I N 2.559 122.996 120.570 -0.222 0.000 2.436 222 I HA -0.001 4.169 4.170 0.000 0.000 0.289 222 I C 0.679 176.627 176.117 -0.280 0.000 1.083 222 I CA 0.054 61.241 61.300 -0.189 0.000 1.372 222 I CB 0.998 38.852 38.000 -0.243 0.000 1.408 222 I HN 0.830 nan 8.210 nan 0.000 0.516 223 S N 2.842 118.496 115.700 -0.076 0.000 2.502 223 S HA 0.186 4.656 4.470 0.000 0.000 0.215 223 S C 0.178 174.967 174.600 0.315 0.000 1.009 223 S CA -0.254 57.962 58.200 0.025 0.000 0.908 223 S CB 0.317 63.526 63.200 0.015 0.000 0.801 223 S HN 0.713 nan 8.310 nan 0.000 0.505 224 D N -0.333 120.262 120.400 0.325 0.000 2.720 224 D HA 0.503 5.144 4.640 0.000 0.000 0.239 224 D C -1.834 174.676 176.300 0.349 0.000 1.218 224 D CA -0.735 53.502 54.000 0.396 0.000 0.748 224 D CB 1.475 42.398 40.800 0.205 0.000 1.387 224 D HN 0.219 nan 8.370 nan 0.000 0.438 225 F N -0.384 119.615 119.950 0.081 0.000 2.665 225 F HA 0.669 5.196 4.527 0.000 0.000 0.308 225 F C -1.639 174.214 175.800 0.088 0.000 1.112 225 F CA -0.737 57.234 58.000 -0.050 0.000 0.972 225 F CB 1.311 40.339 39.000 0.047 0.000 1.295 225 F HN 0.303 nan 8.300 nan 0.000 0.440 226 H N 1.528 120.593 119.070 -0.009 0.000 2.768 226 H HA 0.783 5.339 4.556 0.000 0.000 0.371 226 H C -1.425 173.889 175.328 -0.023 0.000 1.151 226 H CA -1.540 54.437 56.048 -0.118 0.000 1.165 226 H CB 2.748 32.463 29.762 -0.078 0.000 1.722 226 H HN 0.651 nan 8.280 nan 0.000 0.543 227 V N 1.326 121.285 119.914 0.075 0.000 2.715 227 V HA 0.808 4.928 4.120 0.000 0.000 0.310 227 V C -0.712 175.360 176.094 -0.036 0.000 1.054 227 V CA -0.440 61.872 62.300 0.019 0.000 0.928 227 V CB 1.683 33.497 31.823 -0.015 0.000 1.007 227 V HN 0.965 nan 8.190 nan 0.000 0.437 228 A N 2.427 125.207 122.820 -0.067 0.000 2.520 228 A HA 0.840 5.160 4.320 0.000 0.000 0.298 228 A C -0.486 177.011 177.584 -0.145 0.000 1.051 228 A CA -0.338 51.649 52.037 -0.085 0.000 0.690 228 A CB 2.082 21.055 19.000 -0.044 0.000 1.281 228 A HN 0.927 nan 8.150 nan 0.000 0.402 229 T N 0.027 114.488 114.554 -0.155 0.000 2.792 229 T HA 0.778 5.128 4.350 0.000 0.000 0.280 229 T C -0.393 174.155 174.700 -0.253 0.000 0.990 229 T CA -0.664 61.279 62.100 -0.260 0.000 0.960 229 T CB 1.151 69.829 68.868 -0.316 0.000 0.939 229 T HN 0.694 nan 8.240 nan 0.000 0.439 230 R N 1.784 122.047 120.500 -0.396 0.000 2.711 230 R HA 0.774 5.114 4.340 0.000 0.000 0.284 230 R C -1.180 174.752 176.300 -0.612 0.000 0.968 230 R CA -0.730 55.196 56.100 -0.290 0.000 0.924 230 R CB 1.558 31.785 30.300 -0.121 0.000 1.162 230 R HN 0.561 nan 8.270 nan 0.000 0.465 231 F N 0.229 120.186 119.950 0.011 0.000 2.631 231 F HA 0.387 4.914 4.527 0.000 0.000 0.328 231 F C 0.416 176.108 175.800 -0.180 0.000 1.067 231 F CA -1.190 56.766 58.000 -0.073 0.000 0.969 231 F CB 0.934 39.827 39.000 -0.178 0.000 1.332 231 F HN 0.510 nan 8.300 nan 0.000 0.490 232 N N -0.024 118.678 118.700 0.004 0.000 2.405 232 N HA 0.087 4.827 4.740 0.000 0.000 0.269 232 N C 0.586 175.953 175.510 -0.238 0.000 1.249 232 N CA -0.176 52.824 53.050 -0.083 0.000 0.974 232 N CB 0.083 38.543 38.487 -0.045 0.000 1.204 232 N HN 0.705 nan 8.380 nan 0.000 0.565 233 D N -0.624 119.676 120.400 -0.166 0.000 2.170 233 D HA -0.288 4.352 4.640 0.000 0.000 0.193 233 D C 0.388 176.552 176.300 -0.226 0.000 1.004 233 D CA 2.071 55.968 54.000 -0.171 0.000 0.860 233 D CB -0.510 40.251 40.800 -0.065 0.000 0.931 233 D HN 0.761 nan 8.370 nan 0.000 0.448 234 D N -1.820 118.493 120.400 -0.145 0.000 2.431 234 D HA 0.010 4.650 4.640 0.000 0.000 0.213 234 D C 0.395 176.800 176.300 0.175 0.000 1.130 234 D CA -0.708 53.311 54.000 0.032 0.000 0.834 234 D CB -1.008 39.838 40.800 0.076 0.000 0.985 234 D HN 0.287 nan 8.370 nan 0.000 0.504 235 F N 0.276 120.286 119.950 0.099 0.000 2.953 235 F HA -0.301 4.226 4.527 0.000 0.000 0.292 235 F C 1.685 177.570 175.800 0.141 0.000 0.747 235 F CA 0.773 58.855 58.000 0.137 0.000 1.222 235 F CB -2.390 36.596 39.000 -0.023 0.000 1.457 235 F HN 0.198 nan 8.300 nan 0.000 0.383 236 S N -0.729 115.083 115.700 0.186 0.000 2.527 236 S HA 0.161 4.631 4.470 0.000 0.000 0.222 236 S C 0.656 175.308 174.600 0.086 0.000 0.985 236 S CA 0.528 58.802 58.200 0.124 0.000 0.921 236 S CB 0.407 63.653 63.200 0.077 0.000 0.772 236 S HN 0.526 nan 8.310 nan 0.000 0.529 237 R N -0.153 120.406 120.500 0.098 0.000 2.584 237 R HA 0.687 5.027 4.340 0.000 0.000 0.276 237 R C -1.604 174.709 176.300 0.022 0.000 1.046 237 R CA -0.104 56.016 56.100 0.032 0.000 0.906 237 R CB 1.802 32.105 30.300 0.004 0.000 1.215 237 R HN 0.264 nan 8.270 nan 0.000 0.449 238 A N 2.466 125.240 122.820 -0.077 0.000 2.479 238 A HA 0.781 5.101 4.320 0.000 0.000 0.296 238 A C -1.492 176.003 177.584 -0.150 0.000 1.121 238 A CA -0.638 51.275 52.037 -0.207 0.000 0.743 238 A CB 2.192 21.028 19.000 -0.272 0.000 1.323 238 A HN 0.368 nan 8.150 nan 0.000 0.415 239 V N 1.215 121.022 119.914 -0.178 0.000 2.525 239 V HA 0.430 4.550 4.120 0.000 0.000 0.299 239 V C -0.937 175.107 176.094 -0.083 0.000 1.034 239 V CA -0.366 61.874 62.300 -0.100 0.000 0.863 239 V CB 1.325 33.087 31.823 -0.102 0.000 0.999 239 V HN 0.848 nan 8.190 nan 0.000 0.423 240 L N 4.671 125.880 121.223 -0.023 0.000 2.292 240 L HA 0.659 4.999 4.340 0.000 0.000 0.284 240 L C -0.093 176.741 176.870 -0.060 0.000 1.065 240 L CA 0.443 55.248 54.840 -0.059 0.000 0.806 240 L CB 1.258 43.305 42.059 -0.021 0.000 1.175 240 L HN 0.846 nan 8.230 nan 0.000 0.431 241 E N 4.734 124.893 120.200 -0.068 0.000 2.218 241 E HA 0.730 5.080 4.350 0.000 0.000 0.263 241 E C -1.746 174.843 176.600 -0.018 0.000 0.879 241 E CA -0.839 55.536 56.400 -0.042 0.000 0.762 241 E CB 1.548 31.222 29.700 -0.043 0.000 1.166 241 E HN 0.848 nan 8.360 nan 0.000 0.415 242 A N 4.360 127.176 122.820 -0.006 0.000 2.331 242 A HA 0.475 4.795 4.320 0.000 0.000 0.320 242 A C -0.852 176.736 177.584 0.006 0.000 1.138 242 A CA -0.710 51.345 52.037 0.031 0.000 0.790 242 A CB 1.351 20.382 19.000 0.051 0.000 1.206 242 A HN 0.761 nan 8.150 nan 0.000 0.470 243 E N 2.222 122.427 120.200 0.008 0.000 2.176 243 E HA 0.604 4.954 4.350 0.000 0.000 0.267 243 E C -1.647 174.906 176.600 -0.078 0.000 0.893 243 E CA -0.518 55.844 56.400 -0.063 0.000 0.761 243 E CB 1.663 31.302 29.700 -0.101 0.000 1.133 243 E HN 0.388 nan 8.360 nan 0.000 0.409 244 V N 4.127 124.009 119.914 -0.053 0.000 2.604 244 V HA 0.374 4.494 4.120 0.000 0.000 0.305 244 V C -0.523 175.615 176.094 0.075 0.000 1.043 244 V CA -0.787 61.522 62.300 0.015 0.000 0.888 244 V CB 1.681 33.492 31.823 -0.019 0.000 0.995 244 V HN 0.753 nan 8.190 nan 0.000 0.429 245 Q N 4.012 123.873 119.800 0.101 0.000 2.377 245 Q HA 0.842 5.182 4.340 0.000 0.000 0.271 245 Q C -0.879 175.189 176.000 0.113 0.000 1.077 245 Q CA -0.880 54.995 55.803 0.121 0.000 0.820 245 Q CB 2.850 31.591 28.738 0.006 0.000 1.347 245 Q HN 0.842 nan 8.270 nan 0.000 0.444 246 M N -0.989 118.616 119.600 0.008 0.000 2.662 246 M HA 0.769 5.249 4.480 0.000 0.000 0.310 246 M C -1.341 174.853 176.300 -0.177 0.000 1.204 246 M CA -0.462 54.744 55.300 -0.156 0.000 0.891 246 M CB 2.070 34.394 32.600 -0.459 0.000 1.732 246 M HN 0.556 nan 8.290 nan 0.000 0.467 247 C N 1.575 120.775 119.300 -0.166 0.000 2.561 247 C HA 1.016 5.476 4.460 0.000 0.000 0.319 247 C C 0.657 175.551 174.990 -0.161 0.000 1.198 247 C CA 0.928 59.865 59.018 -0.135 0.000 1.665 247 C CB 0.874 28.556 27.740 -0.098 0.000 2.258 247 C HN 1.322 nan 8.230 nan 0.000 0.493 248 G N 3.467 112.186 108.800 -0.136 0.000 2.342 248 G HA2 0.081 4.041 3.960 0.000 0.000 0.220 248 G HA3 0.081 4.041 3.960 0.000 0.000 0.220 248 G C -1.172 173.646 174.900 -0.136 0.000 1.243 248 G CA -0.118 44.905 45.100 -0.130 0.000 1.083 248 G HN 0.903 nan 8.290 nan 0.000 0.500 249 E N 0.606 120.730 120.200 -0.128 0.000 2.001 249 E HA 0.623 4.973 4.350 0.000 0.000 0.279 249 E C 0.144 176.640 176.600 -0.173 0.000 1.045 249 E CA -0.782 55.547 56.400 -0.119 0.000 0.833 249 E CB 1.095 30.752 29.700 -0.071 0.000 1.077 249 E HN 0.663 nan 8.360 nan 0.000 0.397 250 L N 4.427 125.537 121.223 -0.188 0.000 2.418 250 L HA 0.277 4.617 4.340 0.000 0.000 0.274 250 L C -0.035 176.715 176.870 -0.200 0.000 1.135 250 L CA 0.024 54.723 54.840 -0.236 0.000 0.870 250 L CB 0.208 42.144 42.059 -0.205 0.000 1.154 250 L HN 0.491 nan 8.230 nan 0.000 0.462 251 R N 2.774 123.095 120.500 -0.298 0.000 2.725 251 R HA 0.164 4.504 4.340 0.000 0.000 0.277 251 R C 0.098 176.163 176.300 -0.390 0.000 0.987 251 R CA -0.657 55.234 56.100 -0.349 0.000 0.901 251 R CB 1.649 31.558 30.300 -0.652 0.000 1.207 251 R HN 0.641 nan 8.270 nan 0.000 0.463 252 D N 1.265 121.552 120.400 -0.188 0.000 2.378 252 D HA -0.160 4.481 4.640 0.000 0.000 0.222 252 D C 1.022 177.296 176.300 -0.043 0.000 0.980 252 D CA 1.197 55.155 54.000 -0.069 0.000 0.907 252 D CB -0.011 40.804 40.800 0.024 0.000 0.899 252 D HN 0.678 nan 8.370 nan 0.000 0.527 253 Y N -0.149 120.161 120.300 0.016 0.000 2.466 253 Y HA 0.355 4.905 4.550 0.000 0.000 0.272 253 Y C 1.026 176.931 175.900 0.008 0.000 1.169 253 Y CA -0.874 57.235 58.100 0.015 0.000 1.285 253 Y CB -0.475 37.995 38.460 0.015 0.000 1.078 253 Y HN -0.230 nan 8.280 nan 0.000 0.523 254 L N 2.893 123.925 121.223 -0.317 0.000 2.461 254 L HA 0.283 4.623 4.340 0.000 0.000 0.272 254 L C 0.255 177.073 176.870 -0.086 0.000 1.197 254 L CA 0.073 54.820 54.840 -0.154 0.000 0.836 254 L CB 0.434 42.431 42.059 -0.103 0.000 1.105 254 L HN 0.236 nan 8.230 nan 0.000 0.477 255 R N 1.934 122.290 120.500 -0.240 0.000 2.799 255 R HA 0.736 5.076 4.340 0.000 0.000 0.270 255 R C -1.531 174.446 176.300 -0.539 0.000 1.010 255 R CA -0.823 55.020 56.100 -0.428 0.000 0.916 255 R CB 2.304 32.275 30.300 -0.548 0.000 1.228 255 R HN 0.286 nan 8.270 nan 0.000 0.469 256 V N 0.758 120.421 119.914 -0.418 0.000 2.709 256 V HA 0.522 4.642 4.120 0.000 0.000 0.308 256 V C -0.535 175.505 176.094 -0.090 0.000 1.062 256 V CA -0.571 61.565 62.300 -0.274 0.000 0.901 256 V CB 2.432 34.022 31.823 -0.390 0.000 1.003 256 V HN 0.770 nan 8.190 nan 0.000 0.425 257 T N 3.513 118.100 114.554 0.055 0.000 2.861 257 T HA 0.688 5.038 4.350 0.000 0.000 0.287 257 T C -0.907 173.803 174.700 0.016 0.000 1.003 257 T CA -0.463 61.683 62.100 0.076 0.000 0.977 257 T CB 1.904 70.874 68.868 0.170 0.000 0.996 257 T HN 0.362 nan 8.240 nan 0.000 0.448 258 V N 3.216 123.124 119.914 -0.010 0.000 2.531 258 V HA 0.704 4.824 4.120 0.000 0.000 0.301 258 V C -0.421 175.663 176.094 -0.016 0.000 1.034 258 V CA -0.813 61.478 62.300 -0.014 0.000 0.865 258 V CB 1.897 33.703 31.823 -0.029 0.000 0.995 258 V HN 1.069 nan 8.190 nan 0.000 0.424 259 S N 5.098 120.808 115.700 0.016 0.000 2.536 259 S HA 0.864 5.334 4.470 0.000 0.000 0.287 259 S C -1.090 173.492 174.600 -0.030 0.000 1.101 259 S CA -0.754 57.410 58.200 -0.060 0.000 0.950 259 S CB 2.368 65.562 63.200 -0.009 0.000 1.056 259 S HN 0.537 nan 8.310 nan 0.000 0.481 260 L N 2.082 123.181 121.223 -0.207 0.000 2.356 260 L HA 0.779 5.119 4.340 0.000 0.000 0.277 260 L C -2.030 174.719 176.870 -0.202 0.000 0.996 260 L CA -0.305 54.511 54.840 -0.041 0.000 0.822 260 L CB 0.840 42.896 42.059 -0.006 0.000 1.256 260 L HN 0.877 nan 8.230 nan 0.000 0.413 261 W N 3.194 124.596 121.300 0.170 0.000 2.736 261 W HA 0.569 5.229 4.660 0.000 0.000 0.335 261 W C -0.520 176.115 176.519 0.193 0.000 1.059 261 W CA -0.536 56.899 57.345 0.149 0.000 1.226 261 W CB 1.587 31.087 29.460 0.068 0.000 1.416 261 W HN 0.460 nan 8.180 nan 0.000 0.505 262 Q N 2.476 122.494 119.800 0.364 0.000 2.626 262 Q HA 0.490 4.830 4.340 0.000 0.000 0.239 262 Q C 0.766 176.834 176.000 0.113 0.000 1.101 262 Q CA 0.685 56.548 55.803 0.100 0.000 0.918 262 Q CB 0.200 28.937 28.738 -0.001 0.000 1.151 262 Q HN 0.747 nan 8.270 nan 0.000 0.531 263 G N 2.431 111.298 108.800 0.111 0.000 2.950 263 G HA2 -0.357 3.603 3.960 0.000 0.000 0.299 263 G HA3 -0.357 3.603 3.960 0.000 0.000 0.299 263 G C 0.694 175.657 174.900 0.105 0.000 1.310 263 G CA 0.332 45.470 45.100 0.063 0.000 0.994 263 G HN 0.515 nan 8.290 nan 0.000 0.575 264 E N 1.316 121.589 120.200 0.122 0.000 2.307 264 E HA 0.215 4.565 4.350 0.000 0.000 0.195 264 E C 1.275 178.079 176.600 0.341 0.000 0.975 264 E CA 0.983 57.468 56.400 0.142 0.000 0.878 264 E CB -0.057 29.687 29.700 0.074 0.000 0.845 264 E HN 0.524 nan 8.360 nan 0.000 0.488 265 T N 1.626 116.358 114.554 0.298 0.000 2.869 265 T HA 0.154 4.504 4.350 0.000 0.000 0.295 265 T C 0.222 175.039 174.700 0.195 0.000 0.987 265 T CA -0.236 62.004 62.100 0.234 0.000 1.109 265 T CB 1.421 70.354 68.868 0.110 0.000 0.932 265 T HN -0.051 nan 8.240 nan 0.000 0.518 266 Q N 2.816 122.521 119.800 -0.159 0.000 2.296 266 Q HA 0.298 4.639 4.340 0.000 0.000 0.257 266 Q C 0.176 175.941 176.000 -0.391 0.000 0.942 266 Q CA -0.486 54.829 55.803 -0.813 0.000 0.939 266 Q CB 0.917 28.868 28.738 -1.312 0.000 1.198 266 Q HN 0.558 nan 8.270 nan 0.000 0.429 267 V N 2.710 122.431 119.914 -0.322 0.000 2.685 267 V HA 0.298 4.418 4.120 0.000 0.000 0.244 267 V C 0.415 176.413 176.094 -0.159 0.000 1.054 267 V CA 1.138 63.357 62.300 -0.135 0.000 1.076 267 V CB 0.159 32.000 31.823 0.029 0.000 0.725 267 V HN 0.797 nan 8.190 nan 0.000 0.467 268 A N -1.352 121.333 122.820 -0.225 0.000 2.599 268 A HA 0.751 5.071 4.320 0.000 0.000 0.294 268 A C -0.828 176.636 177.584 -0.200 0.000 1.055 268 A CA -0.130 51.803 52.037 -0.173 0.000 0.683 268 A CB 1.795 20.729 19.000 -0.110 0.000 1.278 268 A HN 0.008 nan 8.150 nan 0.000 0.412 269 S N -1.175 114.439 115.700 -0.144 0.000 2.556 269 S HA 0.870 5.340 4.470 0.000 0.000 0.271 269 S C -0.520 174.035 174.600 -0.075 0.000 1.135 269 S CA 0.147 58.278 58.200 -0.116 0.000 0.858 269 S CB 1.948 65.075 63.200 -0.122 0.000 1.114 269 S HN 2.266 nan 8.310 nan 0.000 0.468 270 G N 1.336 110.104 108.800 -0.055 0.000 2.759 270 G HA2 0.590 4.550 3.960 0.000 0.000 0.297 270 G HA3 0.590 4.550 3.960 0.000 0.000 0.297 270 G C -1.486 173.396 174.900 -0.031 0.000 1.434 270 G CA -0.349 44.724 45.100 -0.045 0.000 0.980 270 G HN 0.646 nan 8.290 nan 0.000 0.531 271 T N 0.048 114.587 114.554 -0.026 0.000 2.876 271 T HA 0.885 5.235 4.350 0.000 0.000 0.289 271 T C -0.161 174.508 174.700 -0.052 0.000 1.014 271 T CA 0.127 62.219 62.100 -0.013 0.000 0.986 271 T CB 1.769 70.664 68.868 0.045 0.000 1.021 271 T HN 1.653 nan 8.240 nan 0.000 0.458 272 A N 3.601 126.359 122.820 -0.103 0.000 2.566 272 A HA 0.901 5.221 4.320 0.000 0.000 0.290 272 A C -3.220 174.231 177.584 -0.222 0.000 1.071 272 A CA -1.460 50.495 52.037 -0.136 0.000 0.658 272 A CB 1.249 20.167 19.000 -0.137 0.000 1.285 272 A HN 0.524 nan 8.150 nan 0.000 0.427 273 P HA 0.631 nan 4.420 nan 0.000 0.287 273 P C -0.711 176.475 177.300 -0.191 0.000 1.279 273 P CA -0.451 62.559 63.100 -0.151 0.000 0.867 273 P CB 0.487 32.161 31.700 -0.044 0.000 1.127 274 F N 0.771 120.671 119.950 -0.082 0.000 2.539 274 F HA 0.406 4.933 4.527 0.000 0.000 0.340 274 F C 1.586 177.364 175.800 -0.037 0.000 1.185 274 F CA 1.889 59.852 58.000 -0.062 0.000 1.333 274 F CB -0.086 38.870 39.000 -0.074 0.000 1.152 274 F HN 0.600 nan 8.300 nan 0.000 0.602 275 G N 1.341 110.261 108.800 0.200 0.000 3.393 275 G HA2 0.350 4.310 3.960 0.000 0.000 0.676 275 G HA3 0.350 4.310 3.960 0.000 0.000 0.676 275 G C -0.433 174.512 174.900 0.076 0.000 1.224 275 G CA -0.793 44.380 45.100 0.121 0.000 1.109 275 G HN 1.052 nan 8.290 nan 0.000 0.519 276 G N 0.624 109.488 108.800 0.107 0.000 2.588 276 G HA2 0.675 4.635 3.960 0.000 0.000 0.281 276 G HA3 0.675 4.635 3.960 0.000 0.000 0.281 276 G C 0.164 175.099 174.900 0.059 0.000 1.236 276 G CA -0.394 44.760 45.100 0.090 0.000 0.969 276 G HN 0.843 nan 8.290 nan 0.000 0.504 277 E N -0.941 119.291 120.200 0.052 0.000 2.374 277 E HA 0.311 4.661 4.350 0.000 0.000 0.260 277 E C -0.271 176.348 176.600 0.032 0.000 1.101 277 E CA -0.482 55.937 56.400 0.032 0.000 0.907 277 E CB 0.818 30.534 29.700 0.027 0.000 1.014 277 E HN 0.219 nan 8.360 nan 0.000 0.427 278 I N 2.476 123.053 120.570 0.013 0.000 2.683 278 I HA -0.081 4.090 4.170 0.000 0.000 0.286 278 I C 1.221 177.342 176.117 0.007 0.000 1.175 278 I CA 0.608 61.907 61.300 -0.000 0.000 1.429 278 I CB 0.154 38.150 38.000 -0.007 0.000 1.371 278 I HN 0.622 nan 8.210 nan 0.000 0.569 279 I N 1.747 122.314 120.570 -0.006 0.000 3.883 279 I HA 0.316 4.486 4.170 0.000 0.000 0.305 279 I C -0.260 175.854 176.117 -0.006 0.000 1.247 279 I CA 0.314 61.621 61.300 0.011 0.000 1.350 279 I CB 0.387 38.416 38.000 0.049 0.000 1.194 279 I HN 0.636 nan 8.210 nan 0.000 0.441 280 D N -0.012 120.371 120.400 -0.027 0.000 2.921 280 D HA 0.180 4.820 4.640 0.000 0.000 0.329 280 D C 0.274 176.557 176.300 -0.029 0.000 1.293 280 D CA -0.455 53.531 54.000 -0.023 0.000 0.964 280 D CB 0.615 41.401 40.800 -0.023 0.000 1.435 280 D HN -0.156 nan 8.370 nan 0.000 0.548 281 E N -0.880 119.305 120.200 -0.024 0.000 2.267 281 E HA -0.052 4.298 4.350 0.000 0.000 0.197 281 E C 1.451 178.031 176.600 -0.032 0.000 0.998 281 E CA 1.009 57.395 56.400 -0.023 0.000 0.830 281 E CB -0.051 29.638 29.700 -0.018 0.000 0.751 281 E HN 0.246 nan 8.360 nan 0.000 0.491 282 R N -0.497 119.975 120.500 -0.046 0.000 2.300 282 R HA 0.251 4.591 4.340 0.000 0.000 0.199 282 R C 0.767 177.025 176.300 -0.070 0.000 0.920 282 R CA 0.660 56.726 56.100 -0.056 0.000 1.046 282 R CB 0.798 31.059 30.300 -0.064 0.000 0.984 282 R HN 0.206 nan 8.270 nan 0.000 0.493 283 G N -0.488 108.269 108.800 -0.072 0.000 2.295 283 G HA2 -0.061 3.899 3.960 0.000 0.000 0.195 283 G HA3 -0.061 3.899 3.960 0.000 0.000 0.195 283 G C -0.507 174.332 174.900 -0.102 0.000 1.269 283 G CA -0.651 44.405 45.100 -0.073 0.000 1.170 283 G HN 0.381 nan 8.290 nan 0.000 0.511 284 G N -1.828 106.907 108.800 -0.108 0.000 3.140 284 G HA2 0.651 4.611 3.960 0.000 0.000 0.271 284 G HA3 0.651 4.611 3.960 0.000 0.000 0.271 284 G C -1.535 173.239 174.900 -0.210 0.000 1.370 284 G CA -0.805 44.228 45.100 -0.112 0.000 1.014 284 G HN 0.711 nan 8.290 nan 0.000 0.541 285 Y N 0.686 120.998 120.300 0.020 0.000 2.404 285 Y HA 0.417 4.967 4.550 0.000 0.000 0.344 285 Y C 1.410 177.334 175.900 0.039 0.000 0.995 285 Y CA 0.189 58.305 58.100 0.026 0.000 1.201 285 Y CB 1.865 40.347 38.460 0.036 0.000 1.151 285 Y HN 0.539 nan 8.280 nan 0.000 0.517 286 A N 1.893 124.793 122.820 0.133 0.000 2.016 286 A HA -0.118 4.202 4.320 0.000 0.000 0.217 286 A C 1.241 178.904 177.584 0.132 0.000 1.162 286 A CA 1.270 53.367 52.037 0.100 0.000 0.662 286 A CB -0.238 18.779 19.000 0.028 0.000 0.812 286 A HN 0.793 nan 8.150 nan 0.000 0.450 287 D N -0.321 120.155 120.400 0.125 0.000 2.561 287 D HA 0.161 4.801 4.640 0.000 0.000 0.232 287 D C 0.327 176.759 176.300 0.220 0.000 1.198 287 D CA -0.110 53.900 54.000 0.016 0.000 0.826 287 D CB -0.136 40.624 40.800 -0.068 0.000 0.992 287 D HN 0.430 nan 8.370 nan 0.000 0.490 288 R N -1.043 119.695 120.500 0.396 0.000 2.781 288 R HA 0.754 5.094 4.340 0.000 0.000 0.269 288 R C -1.601 174.825 176.300 0.209 0.000 1.025 288 R CA -1.228 55.063 56.100 0.318 0.000 0.914 288 R CB 2.740 33.087 30.300 0.078 0.000 1.236 288 R HN -0.015 nan 8.270 nan 0.000 0.465 289 V N 0.163 120.075 119.914 -0.002 0.000 3.000 289 V HA 0.497 4.617 4.120 0.000 0.000 0.300 289 V C -1.598 174.425 176.094 -0.118 0.000 1.251 289 V CA -0.245 61.976 62.300 -0.132 0.000 0.972 289 V CB 2.682 34.268 31.823 -0.396 0.000 1.065 289 V HN 0.831 nan 8.190 nan 0.000 0.431 290 T N 7.453 121.957 114.554 -0.084 0.000 2.792 290 T HA 0.727 5.077 4.350 0.000 0.000 0.280 290 T C -0.713 173.946 174.700 -0.069 0.000 0.990 290 T CA -0.209 61.852 62.100 -0.065 0.000 0.960 290 T CB 1.169 70.017 68.868 -0.034 0.000 0.939 290 T HN 0.534 nan 8.240 nan 0.000 0.439 291 L N 3.059 124.243 121.223 -0.066 0.000 2.330 291 L HA 0.640 4.980 4.340 0.000 0.000 0.271 291 L C 0.408 177.251 176.870 -0.046 0.000 1.013 291 L CA -0.736 54.067 54.840 -0.061 0.000 0.816 291 L CB 1.441 43.459 42.059 -0.068 0.000 1.287 291 L HN 0.372 nan 8.230 nan 0.000 0.435 292 R N 3.226 123.699 120.500 -0.045 0.000 2.435 292 R HA 0.608 4.948 4.340 0.000 0.000 0.308 292 R C -1.529 174.745 176.300 -0.044 0.000 0.975 292 R CA -0.607 55.468 56.100 -0.043 0.000 0.867 292 R CB 1.328 31.604 30.300 -0.041 0.000 1.171 292 R HN 0.474 nan 8.270 nan 0.000 0.470 293 L N 2.826 124.024 121.223 -0.041 0.000 2.307 293 L HA 0.459 4.799 4.340 0.000 0.000 0.284 293 L C -0.025 176.820 176.870 -0.043 0.000 1.023 293 L CA -1.086 53.728 54.840 -0.043 0.000 0.810 293 L CB 1.330 43.364 42.059 -0.041 0.000 1.231 293 L HN 0.425 nan 8.230 nan 0.000 0.423 294 N N 2.348 121.017 118.700 -0.053 0.000 2.479 294 N HA 0.446 5.186 4.740 0.000 0.000 0.285 294 N C -0.864 174.599 175.510 -0.078 0.000 1.075 294 N CA -0.309 52.705 53.050 -0.061 0.000 0.967 294 N CB 2.769 41.222 38.487 -0.056 0.000 1.137 294 N HN 0.221 nan 8.380 nan 0.000 0.472 295 V N 1.858 121.708 119.914 -0.107 0.000 2.525 295 V HA 0.219 4.339 4.120 0.000 0.000 0.299 295 V C -0.100 175.907 176.094 -0.145 0.000 1.034 295 V CA -0.843 61.359 62.300 -0.163 0.000 0.863 295 V CB 2.104 33.733 31.823 -0.323 0.000 0.999 295 V HN 0.510 nan 8.190 nan 0.000 0.423 296 E N 3.668 123.809 120.200 -0.099 0.000 2.231 296 E HA 0.332 4.682 4.350 0.000 0.000 0.277 296 E C -0.153 176.415 176.600 -0.052 0.000 0.999 296 E CA -0.500 55.864 56.400 -0.060 0.000 0.827 296 E CB 0.847 30.526 29.700 -0.034 0.000 1.101 296 E HN 0.669 nan 8.360 nan 0.000 0.393 297 N N 1.664 120.353 118.700 -0.018 0.000 2.688 297 N HA -0.116 4.625 4.740 0.000 0.000 0.258 297 N C -2.339 173.164 175.510 -0.011 0.000 1.016 297 N CA 0.375 53.431 53.050 0.009 0.000 0.747 297 N CB -1.173 37.324 38.487 0.018 0.000 0.895 297 N HN 0.369 nan 8.380 nan 0.000 0.543 298 P HA 0.096 nan 4.420 nan 0.000 0.270 298 P C -0.015 177.299 177.300 0.024 0.000 1.223 298 P CA 0.286 63.270 63.100 -0.194 0.000 0.785 298 P CB 0.820 32.152 31.700 -0.614 0.000 0.923 299 K N 1.536 122.042 120.400 0.176 0.000 2.234 299 K HA 0.379 4.699 4.320 0.000 0.000 0.277 299 K C -0.068 176.698 176.600 0.277 0.000 1.038 299 K CA -0.506 55.893 56.287 0.186 0.000 0.888 299 K CB 0.432 33.016 32.500 0.141 0.000 1.091 299 K HN 0.386 nan 8.250 nan 0.000 0.467 300 L N 2.573 123.885 121.223 0.148 0.000 2.395 300 L HA 0.297 4.637 4.340 0.000 0.000 0.269 300 L C -0.076 176.873 176.870 0.132 0.000 1.133 300 L CA -0.689 54.238 54.840 0.146 0.000 0.812 300 L CB 0.399 42.390 42.059 -0.114 0.000 1.125 300 L HN 0.598 nan 8.230 nan 0.000 0.452 301 W N 3.191 124.516 121.300 0.041 0.000 2.376 301 W HA 0.478 5.138 4.660 0.000 0.000 0.322 301 W C 0.086 176.542 176.519 -0.105 0.000 1.160 301 W CA 0.112 57.460 57.345 0.005 0.000 1.218 301 W CB 1.359 30.867 29.460 0.081 0.000 1.205 301 W HN 0.618 nan 8.180 nan 0.000 0.559 302 S N 2.873 117.977 115.700 -0.992 0.000 2.615 302 S HA 0.633 5.103 4.470 0.000 0.000 0.269 302 S C -0.006 173.828 174.600 -1.277 0.000 1.161 302 S CA -0.336 57.363 58.200 -0.835 0.000 0.817 302 S CB 1.091 63.997 63.200 -0.490 0.000 1.131 302 S HN 1.036 nan 8.310 nan 0.000 0.467 303 A N 0.393 122.645 122.820 -0.947 0.000 2.066 303 A HA 0.127 4.447 4.320 0.000 0.000 0.218 303 A C 1.701 178.969 177.584 -0.526 0.000 1.157 303 A CA 1.243 52.718 52.037 -0.937 0.000 0.670 303 A CB -0.850 17.472 19.000 -1.131 0.000 0.804 303 A HN 0.869 nan 8.150 nan 0.000 0.453 304 E N -0.776 119.242 120.200 -0.304 0.000 2.112 304 E HA 0.085 4.435 4.350 0.000 0.000 0.190 304 E C -0.288 176.178 176.600 -0.223 0.000 0.979 304 E CA 0.680 56.969 56.400 -0.185 0.000 0.814 304 E CB 0.076 29.795 29.700 0.031 0.000 0.762 304 E HN 0.590 nan 8.360 nan 0.000 0.460 305 I N 1.416 121.807 120.570 -0.298 0.000 2.576 305 I HA 0.146 4.316 4.170 0.000 0.000 0.279 305 I C -2.601 173.277 176.117 -0.398 0.000 1.114 305 I CA -1.864 59.283 61.300 -0.254 0.000 1.076 305 I CB 2.203 40.104 38.000 -0.165 0.000 1.212 305 I HN -0.235 nan 8.210 nan 0.000 0.472 306 P HA 0.081 nan 4.420 nan 0.000 0.226 306 P C -0.582 176.704 177.300 -0.022 0.000 1.783 306 P CA -0.159 62.646 63.100 -0.490 0.000 0.980 306 P CB -0.353 31.239 31.700 -0.180 0.000 1.967 307 N N 1.879 120.589 118.700 0.018 0.000 2.468 307 N HA 0.120 4.861 4.740 0.000 0.000 0.265 307 N C 0.134 175.870 175.510 0.376 0.000 1.199 307 N CA 0.357 53.495 53.050 0.147 0.000 0.928 307 N CB 0.843 39.403 38.487 0.121 0.000 1.059 307 N HN 0.273 nan 8.380 nan 0.000 0.467 308 L N 2.236 123.600 121.223 0.235 0.000 2.323 308 L HA 0.526 4.866 4.340 0.000 0.000 0.265 308 L C -0.803 176.155 176.870 0.147 0.000 1.012 308 L CA -0.890 54.117 54.840 0.278 0.000 0.820 308 L CB 1.154 43.340 42.059 0.211 0.000 1.334 308 L HN 0.390 nan 8.230 nan 0.000 0.427 309 Y N -0.078 120.348 120.300 0.211 0.000 2.602 309 Y HA 0.577 5.127 4.550 0.000 0.000 0.342 309 Y C -0.325 175.683 175.900 0.179 0.000 1.029 309 Y CA -0.828 57.404 58.100 0.219 0.000 1.080 309 Y CB 2.053 40.692 38.460 0.298 0.000 1.284 309 Y HN 0.383 nan 8.280 nan 0.000 0.485 310 R N 1.186 121.922 120.500 0.395 0.000 2.445 310 R HA 0.860 5.200 4.340 0.000 0.000 0.308 310 R C -1.516 174.988 176.300 0.340 0.000 0.961 310 R CA -0.618 55.651 56.100 0.283 0.000 0.862 310 R CB 1.045 31.430 30.300 0.141 0.000 1.144 310 R HN 0.793 nan 8.270 nan 0.000 0.447 311 A N 3.756 126.715 122.820 0.232 0.000 2.343 311 A HA 0.613 4.933 4.320 0.000 0.000 0.316 311 A C -1.188 176.478 177.584 0.138 0.000 1.104 311 A CA -0.644 51.520 52.037 0.212 0.000 0.768 311 A CB 1.593 20.689 19.000 0.159 0.000 1.213 311 A HN 0.459 nan 8.150 nan 0.000 0.456 312 V N 2.385 122.389 119.914 0.149 0.000 2.540 312 V HA 0.526 4.646 4.120 0.000 0.000 0.302 312 V C -0.449 175.642 176.094 -0.005 0.000 1.035 312 V CA -0.639 61.691 62.300 0.049 0.000 0.873 312 V CB 1.583 33.451 31.823 0.076 0.000 0.992 312 V HN 0.621 nan 8.190 nan 0.000 0.428 313 V N 4.721 124.571 119.914 -0.106 0.000 2.350 313 V HA 0.465 4.585 4.120 0.000 0.000 0.285 313 V C -0.175 175.872 176.094 -0.079 0.000 1.014 313 V CA -0.545 61.667 62.300 -0.146 0.000 0.831 313 V CB 1.335 32.934 31.823 -0.374 0.000 1.000 313 V HN 1.028 nan 8.190 nan 0.000 0.433 314 E N 5.013 125.213 120.200 -0.000 0.000 2.176 314 E HA 0.563 4.913 4.350 0.000 0.000 0.267 314 E C -1.119 175.564 176.600 0.138 0.000 0.893 314 E CA -1.064 55.381 56.400 0.074 0.000 0.761 314 E CB 2.811 32.573 29.700 0.104 0.000 1.133 314 E HN 0.417 nan 8.360 nan 0.000 0.409 315 L N 5.303 126.581 121.223 0.091 0.000 2.261 315 L HA 0.271 4.611 4.340 0.000 0.000 0.289 315 L C -0.599 176.347 176.870 0.127 0.000 1.059 315 L CA 0.153 55.030 54.840 0.061 0.000 0.816 315 L CB -0.126 41.950 42.059 0.028 0.000 1.191 315 L HN 0.686 nan 8.230 nan 0.000 0.431 316 H N 1.243 120.340 119.070 0.045 0.000 2.942 316 H HA 0.614 5.170 4.556 0.000 0.000 0.316 316 H C -1.060 174.322 175.328 0.090 0.000 1.323 316 H CA -0.358 55.724 56.048 0.057 0.000 1.144 316 H CB 1.032 30.819 29.762 0.041 0.000 1.866 316 H HN 0.488 nan 8.280 nan 0.000 0.545 317 T N -2.618 112.094 114.554 0.263 0.000 2.927 317 T HA 0.528 4.878 4.350 0.000 0.000 0.281 317 T C 1.478 176.358 174.700 0.300 0.000 0.998 317 T CA -0.226 62.038 62.100 0.274 0.000 1.019 317 T CB 1.461 70.524 68.868 0.325 0.000 1.061 317 T HN 0.774 nan 8.240 nan 0.000 0.518 318 A N 1.192 124.159 122.820 0.246 0.000 1.978 318 A HA -0.140 4.180 4.320 0.000 0.000 0.220 318 A C 2.048 179.729 177.584 0.163 0.000 1.170 318 A CA 1.829 53.979 52.037 0.189 0.000 0.636 318 A CB -1.071 18.025 19.000 0.159 0.000 0.810 318 A HN 0.999 nan 8.150 nan 0.000 0.448 319 D N -1.901 118.580 120.400 0.134 0.000 2.178 319 D HA 0.067 4.707 4.640 0.000 0.000 0.201 319 D C 1.330 177.676 176.300 0.077 0.000 0.980 319 D CA 1.392 55.439 54.000 0.079 0.000 0.842 319 D CB -0.315 40.508 40.800 0.039 0.000 0.948 319 D HN 0.842 nan 8.370 nan 0.000 0.472 320 G N -0.075 108.798 108.800 0.121 0.000 2.227 320 G HA2 -0.195 3.765 3.960 0.000 0.000 0.168 320 G HA3 -0.195 3.765 3.960 0.000 0.000 0.168 320 G C 0.244 175.162 174.900 0.030 0.000 1.006 320 G CA 0.036 45.159 45.100 0.039 0.000 0.684 320 G HN 0.328 nan 8.290 nan 0.000 0.489 321 T N 2.045 116.654 114.554 0.092 0.000 2.769 321 T HA 0.426 4.777 4.350 0.000 0.000 0.293 321 T C 0.589 175.364 174.700 0.125 0.000 0.931 321 T CA -0.005 62.145 62.100 0.083 0.000 1.139 321 T CB 1.094 70.007 68.868 0.076 0.000 0.881 321 T HN 0.399 nan 8.240 nan 0.000 0.532 322 L N 5.021 126.295 121.223 0.084 0.000 2.360 322 L HA 0.204 4.544 4.340 0.000 0.000 0.276 322 L C 0.696 177.623 176.870 0.095 0.000 1.121 322 L CA -0.353 54.550 54.840 0.104 0.000 0.845 322 L CB 0.438 42.530 42.059 0.056 0.000 1.143 322 L HN 0.641 nan 8.230 nan 0.000 0.452 323 I N 3.494 124.125 120.570 0.102 0.000 2.339 323 I HA 0.027 4.197 4.170 0.000 0.000 0.245 323 I C 0.611 176.742 176.117 0.023 0.000 1.096 323 I CA 0.852 62.185 61.300 0.055 0.000 1.408 323 I CB 0.009 38.032 38.000 0.039 0.000 1.092 323 I HN 0.751 nan 8.210 nan 0.000 0.423 324 E N -0.414 119.802 120.200 0.026 0.000 2.409 324 E HA 0.708 5.058 4.350 0.000 0.000 0.280 324 E C -1.627 174.994 176.600 0.034 0.000 1.079 324 E CA -1.116 55.292 56.400 0.013 0.000 0.840 324 E CB 1.367 31.032 29.700 -0.059 0.000 1.309 324 E HN -0.048 nan 8.360 nan 0.000 0.447 325 A N 1.329 124.197 122.820 0.080 0.000 2.475 325 A HA 0.724 5.044 4.320 0.000 0.000 0.301 325 A C -1.123 176.581 177.584 0.199 0.000 1.059 325 A CA -0.703 51.393 52.037 0.098 0.000 0.710 325 A CB 1.811 20.866 19.000 0.093 0.000 1.288 325 A HN 0.530 nan 8.150 nan 0.000 0.408 326 E N -0.380 119.872 120.200 0.088 0.000 2.392 326 E HA 0.792 5.142 4.350 0.000 0.000 0.269 326 E C -0.585 176.051 176.600 0.060 0.000 0.924 326 E CA -0.611 55.901 56.400 0.187 0.000 0.784 326 E CB 2.501 32.222 29.700 0.035 0.000 1.292 326 E HN 1.123 nan 8.360 nan 0.000 0.447 327 A N 0.090 123.067 122.820 0.262 0.000 2.588 327 A HA 0.843 5.163 4.320 0.000 0.000 0.290 327 A C -1.130 176.641 177.584 0.311 0.000 1.136 327 A CA -0.380 51.737 52.037 0.134 0.000 0.681 327 A CB 1.098 20.065 19.000 -0.054 0.000 1.282 327 A HN 0.921 nan 8.150 nan 0.000 0.421 328 C N -0.876 118.568 119.300 0.240 0.000 3.292 328 C HA 0.740 5.201 4.460 0.000 0.000 0.338 328 C C -1.668 173.413 174.990 0.151 0.000 1.323 328 C CA -1.010 58.143 59.018 0.225 0.000 1.232 328 C CB 0.945 28.836 27.740 0.251 0.000 1.517 328 C HN 0.808 nan 8.230 nan 0.000 0.470 329 D N 1.060 121.525 120.400 0.109 0.000 2.256 329 D HA 0.567 5.207 4.640 0.000 0.000 0.250 329 D C -0.424 175.913 176.300 0.062 0.000 1.093 329 D CA 0.121 54.185 54.000 0.107 0.000 0.882 329 D CB 2.026 42.888 40.800 0.104 0.000 1.185 329 D HN 0.535 nan 8.370 nan 0.000 0.437 330 V N 1.061 121.038 119.914 0.105 0.000 2.604 330 V HA 0.671 4.791 4.120 0.000 0.000 0.305 330 V C 0.516 176.642 176.094 0.054 0.000 1.043 330 V CA -0.745 61.557 62.300 0.003 0.000 0.888 330 V CB 2.115 33.919 31.823 -0.032 0.000 0.995 330 V HN 0.633 nan 8.190 nan 0.000 0.429 331 G N 2.840 111.571 108.800 -0.115 0.000 2.478 331 G HA2 0.628 4.588 3.960 0.000 0.000 0.317 331 G HA3 0.628 4.588 3.960 0.000 0.000 0.317 331 G C -1.173 173.732 174.900 0.007 0.000 1.259 331 G CA -0.407 44.706 45.100 0.022 0.000 0.933 331 G HN 0.422 nan 8.290 nan 0.000 0.478 332 F N 2.232 122.345 119.950 0.272 0.000 2.404 332 F HA 0.507 5.034 4.527 0.000 0.000 0.359 332 F C 1.007 177.034 175.800 0.378 0.000 1.134 332 F CA -0.230 57.978 58.000 0.347 0.000 1.160 332 F CB 0.945 40.168 39.000 0.373 0.000 1.186 332 F HN 0.478 nan 8.300 nan 0.000 0.526 333 R N 1.222 121.989 120.500 0.445 0.000 2.710 333 R HA 0.551 4.891 4.340 0.000 0.000 0.270 333 R C -1.603 174.819 176.300 0.205 0.000 1.021 333 R CA -1.141 55.079 56.100 0.201 0.000 0.889 333 R CB 1.797 32.234 30.300 0.229 0.000 1.243 333 R HN 0.432 nan 8.270 nan 0.000 0.464 334 E N 1.728 121.945 120.200 0.029 0.000 2.199 334 E HA 0.420 4.770 4.350 0.000 0.000 0.265 334 E C -1.342 175.306 176.600 0.079 0.000 0.882 334 E CA -0.938 55.545 56.400 0.139 0.000 0.759 334 E CB 2.149 31.968 29.700 0.199 0.000 1.148 334 E HN 0.415 nan 8.360 nan 0.000 0.412 335 V N 5.589 125.551 119.914 0.081 0.000 2.384 335 V HA 0.578 4.698 4.120 0.000 0.000 0.287 335 V C -0.146 175.978 176.094 0.049 0.000 1.020 335 V CA -0.545 61.779 62.300 0.040 0.000 0.850 335 V CB 1.220 33.049 31.823 0.010 0.000 0.987 335 V HN 0.726 nan 8.190 nan 0.000 0.436 336 R N 4.339 124.865 120.500 0.044 0.000 2.710 336 R HA 0.708 5.048 4.340 0.000 0.000 0.270 336 R C -2.011 174.308 176.300 0.033 0.000 1.021 336 R CA -0.939 55.189 56.100 0.047 0.000 0.889 336 R CB 1.858 32.198 30.300 0.067 0.000 1.243 336 R HN 0.500 nan 8.270 nan 0.000 0.464 337 I N 1.496 122.086 120.570 0.033 0.000 2.339 337 I HA 0.325 4.495 4.170 0.000 0.000 0.290 337 I C -0.642 175.492 176.117 0.029 0.000 0.994 337 I CA -0.381 60.934 61.300 0.025 0.000 1.191 337 I CB 1.735 39.752 38.000 0.027 0.000 1.343 337 I HN 0.716 nan 8.210 nan 0.000 0.458 338 E N 6.509 126.723 120.200 0.024 0.000 2.278 338 E HA 0.243 4.593 4.350 0.000 0.000 0.272 338 E C -0.312 176.299 176.600 0.018 0.000 0.890 338 E CA -0.565 55.850 56.400 0.026 0.000 0.770 338 E CB 1.036 30.756 29.700 0.033 0.000 1.212 338 E HN 0.536 nan 8.360 nan 0.000 0.415 339 N N 3.363 122.074 118.700 0.017 0.000 2.735 339 N HA -0.218 4.522 4.740 0.000 0.000 0.248 339 N C 0.480 175.994 175.510 0.007 0.000 1.083 339 N CA 2.136 55.193 53.050 0.012 0.000 0.703 339 N CB -1.241 37.253 38.487 0.011 0.000 1.005 339 N HN 1.059 nan 8.380 nan 0.000 0.550 340 G N -2.247 106.557 108.800 0.007 0.000 2.176 340 G HA2 -0.276 3.684 3.960 0.000 0.000 0.253 340 G HA3 -0.276 3.684 3.960 0.000 0.000 0.253 340 G C -0.071 174.823 174.900 -0.009 0.000 0.979 340 G CA 0.520 45.620 45.100 0.000 0.000 0.641 340 G HN 0.478 nan 8.290 nan 0.000 0.530 341 L N -0.054 121.165 121.223 -0.007 0.000 2.354 341 L HA 0.749 5.089 4.340 0.000 0.000 0.269 341 L C -0.038 176.821 176.870 -0.018 0.000 1.005 341 L CA -1.331 53.498 54.840 -0.019 0.000 0.819 341 L CB 1.950 43.998 42.059 -0.019 0.000 1.311 341 L HN 0.104 nan 8.230 nan 0.000 0.423 342 L N 3.684 124.885 121.223 -0.036 0.000 2.265 342 L HA 0.505 4.845 4.340 0.000 0.000 0.288 342 L C -0.948 175.899 176.870 -0.039 0.000 1.058 342 L CA 0.337 55.155 54.840 -0.036 0.000 0.809 342 L CB 0.473 42.498 42.059 -0.057 0.000 1.179 342 L HN 0.389 nan 8.230 nan 0.000 0.429 343 L N 5.666 126.880 121.223 -0.015 0.000 2.342 343 L HA 0.587 4.927 4.340 0.000 0.000 0.271 343 L C -0.907 175.964 176.870 0.002 0.000 1.008 343 L CA -0.859 53.979 54.840 -0.002 0.000 0.818 343 L CB 2.018 44.097 42.059 0.034 0.000 1.296 343 L HN 0.560 nan 8.230 nan 0.000 0.427 344 L N 2.976 124.211 121.223 0.019 0.000 2.376 344 L HA 0.495 4.835 4.340 0.000 0.000 0.275 344 L C -0.275 176.619 176.870 0.041 0.000 0.987 344 L CA -0.091 54.767 54.840 0.030 0.000 0.828 344 L CB 1.035 43.115 42.059 0.037 0.000 1.249 344 L HN 0.614 nan 8.230 nan 0.000 0.409 345 N N 4.084 122.700 118.700 -0.140 0.000 2.721 345 N HA -0.221 4.519 4.740 0.000 0.000 0.249 345 N C 0.879 176.162 175.510 -0.379 0.000 1.072 345 N CA 1.390 54.105 53.050 -0.559 0.000 0.710 345 N CB -1.222 36.816 38.487 -0.750 0.000 0.993 345 N HN 1.185 nan 8.380 nan 0.000 0.547 346 G N -1.953 106.844 108.800 -0.004 0.000 2.217 346 G HA2 -0.334 3.626 3.960 0.000 0.000 0.246 346 G HA3 -0.334 3.626 3.960 0.000 0.000 0.246 346 G C -0.091 174.857 174.900 0.080 0.000 0.990 346 G CA 0.783 45.962 45.100 0.132 0.000 0.627 346 G HN 0.464 nan 8.290 nan 0.000 0.522 347 K N 1.003 121.440 120.400 0.061 0.000 2.203 347 K HA 0.549 4.869 4.320 0.000 0.000 0.251 347 K C -3.032 173.554 176.600 -0.024 0.000 0.944 347 K CA -2.089 54.192 56.287 -0.009 0.000 0.829 347 K CB 2.681 35.106 32.500 -0.124 0.000 1.125 347 K HN 0.032 nan 8.250 nan 0.000 0.430 348 P HA 0.224 nan 4.420 nan 0.000 0.282 348 P C -0.179 177.068 177.300 -0.089 0.000 1.262 348 P CA -0.213 62.850 63.100 -0.062 0.000 0.773 348 P CB 0.518 32.181 31.700 -0.060 0.000 0.879 349 L N 3.194 124.357 121.223 -0.100 0.000 2.468 349 L HA 0.388 4.728 4.340 0.000 0.000 0.254 349 L C 0.509 177.304 176.870 -0.125 0.000 1.171 349 L CA -0.679 54.091 54.840 -0.117 0.000 0.809 349 L CB 0.327 42.279 42.059 -0.179 0.000 1.155 349 L HN 0.235 nan 8.230 nan 0.000 0.473 350 L N 2.488 123.651 121.223 -0.101 0.000 2.471 350 L HA 0.424 4.764 4.340 0.000 0.000 0.263 350 L C -0.693 176.128 176.870 -0.082 0.000 0.985 350 L CA -0.134 54.633 54.840 -0.121 0.000 0.868 350 L CB 0.994 43.012 42.059 -0.069 0.000 1.203 350 L HN 0.229 nan 8.230 nan 0.000 0.429 351 I N 4.681 125.138 120.570 -0.189 0.000 2.379 351 I HA 0.236 4.406 4.170 0.000 0.000 0.290 351 I C 0.434 176.495 176.117 -0.093 0.000 1.063 351 I CA -0.028 61.169 61.300 -0.171 0.000 1.351 351 I CB 0.639 38.419 38.000 -0.367 0.000 1.410 351 I HN 0.579 nan 8.210 nan 0.000 0.505 352 R N 4.744 125.265 120.500 0.035 0.000 3.070 352 R HA 0.451 4.791 4.340 0.000 0.000 0.252 352 R C 0.502 176.886 176.300 0.141 0.000 1.370 352 R CA -0.239 55.911 56.100 0.085 0.000 1.482 352 R CB 0.852 31.049 30.300 -0.171 0.000 1.220 352 R HN 0.782 nan 8.270 nan 0.000 0.622 353 G N 0.059 108.900 108.800 0.069 0.000 2.537 353 G HA2 0.608 4.568 3.960 0.000 0.000 0.323 353 G HA3 0.608 4.568 3.960 0.000 0.000 0.323 353 G C -1.341 173.847 174.900 0.480 0.000 1.207 353 G CA -0.499 44.664 45.100 0.104 0.000 0.976 353 G HN 0.241 nan 8.290 nan 0.000 0.487 354 V N 0.029 120.222 119.914 0.465 0.000 2.971 354 V HA 0.481 4.601 4.120 0.000 0.000 0.309 354 V C -1.144 175.089 176.094 0.232 0.000 1.130 354 V CA -1.204 61.259 62.300 0.271 0.000 0.964 354 V CB 2.211 33.918 31.823 -0.194 0.000 1.029 354 V HN 0.761 nan 8.190 nan 0.000 0.427 355 N N 4.374 123.141 118.700 0.112 0.000 2.499 355 N HA 0.474 5.214 4.740 0.000 0.000 0.281 355 N C -0.794 174.530 175.510 -0.311 0.000 1.098 355 N CA -0.361 52.632 53.050 -0.096 0.000 0.979 355 N CB 1.659 40.100 38.487 -0.077 0.000 1.121 355 N HN 0.632 nan 8.380 nan 0.000 0.466 356 R N 2.026 122.312 120.500 -0.357 0.000 2.514 356 R HA 0.236 4.576 4.340 0.000 0.000 0.296 356 R C -0.990 175.082 176.300 -0.380 0.000 1.012 356 R CA -0.550 55.351 56.100 -0.333 0.000 0.897 356 R CB 0.962 31.068 30.300 -0.324 0.000 1.184 356 R HN 0.588 nan 8.270 nan 0.000 0.440 357 H N 2.049 120.971 119.070 -0.246 0.000 2.508 357 H HA 0.142 4.698 4.556 0.000 0.000 0.358 357 H C -0.506 174.810 175.328 -0.019 0.000 1.212 357 H CA -0.087 55.901 56.048 -0.100 0.000 1.356 357 H CB 1.518 31.274 29.762 -0.011 0.000 1.525 357 H HN 0.558 nan 8.280 nan 0.000 0.578 358 E N 1.595 121.983 120.200 0.312 0.000 1.941 358 E HA 0.104 4.454 4.350 0.000 0.000 0.275 358 E C -0.775 175.963 176.600 0.229 0.000 1.113 358 E CA 0.011 56.513 56.400 0.170 0.000 0.878 358 E CB 0.161 29.965 29.700 0.173 0.000 1.070 358 E HN 0.382 nan 8.360 nan 0.000 0.399 359 H N 1.516 120.629 119.070 0.072 0.000 2.865 359 H HA 0.255 4.811 4.556 0.000 0.000 0.362 359 H C -1.623 173.736 175.328 0.053 0.000 1.114 359 H CA -0.683 55.403 56.048 0.063 0.000 1.208 359 H CB 1.087 30.875 29.762 0.043 0.000 1.727 359 H HN 0.365 nan 8.280 nan 0.000 0.534 360 H N 6.277 124.995 119.070 -0.585 0.000 2.744 360 H HA 0.195 4.751 4.556 0.000 0.000 0.339 360 H C -2.194 172.729 175.328 -0.675 0.000 1.004 360 H CA -2.395 53.385 56.048 -0.446 0.000 1.257 360 H CB 2.501 32.134 29.762 -0.215 0.000 1.552 360 H HN 0.561 nan 8.280 nan 0.000 0.522 361 P HA -0.135 nan 4.420 nan 0.000 0.217 361 P C 1.375 178.563 177.300 -0.187 0.000 1.148 361 P CA 0.924 63.861 63.100 -0.272 0.000 0.828 361 P CB 0.827 32.408 31.700 -0.198 0.000 0.783 362 L N -1.869 119.338 121.223 -0.027 0.000 2.269 362 L HA 0.046 4.386 4.340 0.000 0.000 0.200 362 L C 2.388 179.113 176.870 -0.242 0.000 1.069 362 L CA 0.905 55.647 54.840 -0.163 0.000 0.804 362 L CB -0.695 41.160 42.059 -0.341 0.000 0.987 362 L HN 0.010 nan 8.230 nan 0.000 0.468 363 H N -0.697 118.314 119.070 -0.099 0.000 2.539 363 H HA 0.208 4.764 4.556 0.000 0.000 0.267 363 H C 1.390 176.597 175.328 -0.201 0.000 0.982 363 H CA 0.135 56.042 56.048 -0.234 0.000 1.146 363 H CB 0.316 29.839 29.762 -0.399 0.000 1.382 363 H HN 0.447 nan 8.280 nan 0.000 0.577 364 G N 1.486 110.192 108.800 -0.157 0.000 2.543 364 G HA2 -0.392 3.568 3.960 0.000 0.000 0.286 364 G HA3 -0.392 3.568 3.960 0.000 0.000 0.286 364 G C 0.599 175.402 174.900 -0.162 0.000 1.153 364 G CA 0.305 45.258 45.100 -0.244 0.000 0.968 364 G HN 0.462 nan 8.290 nan 0.000 0.544 365 Q N 0.049 119.776 119.800 -0.122 0.000 2.280 365 Q HA 0.451 4.791 4.340 0.000 0.000 0.202 365 Q C 0.453 176.502 176.000 0.082 0.000 0.903 365 Q CA -0.058 55.708 55.803 -0.061 0.000 0.948 365 Q CB 0.869 29.462 28.738 -0.241 0.000 1.058 365 Q HN 0.383 nan 8.270 nan 0.000 0.493 366 V N 1.851 121.811 119.914 0.076 0.000 2.498 366 V HA 0.189 4.309 4.120 0.000 0.000 0.279 366 V C 0.161 176.298 176.094 0.072 0.000 1.048 366 V CA -0.026 62.339 62.300 0.107 0.000 0.967 366 V CB 1.022 32.852 31.823 0.011 0.000 0.988 366 V HN 0.315 nan 8.190 nan 0.000 0.473 367 M N 4.361 123.995 119.600 0.057 0.000 2.598 367 M HA 0.569 5.049 4.480 0.000 0.000 0.317 367 M C -0.599 175.635 176.300 -0.110 0.000 1.201 367 M CA -0.743 54.545 55.300 -0.019 0.000 0.971 367 M CB 1.684 34.236 32.600 -0.080 0.000 1.657 367 M HN 0.967 nan 8.290 nan 0.000 0.470 368 D N -1.894 118.457 120.400 -0.082 0.000 2.602 368 D HA 0.223 4.863 4.640 0.000 0.000 0.236 368 D C 0.286 176.574 176.300 -0.021 0.000 1.209 368 D CA -0.649 53.308 54.000 -0.071 0.000 0.831 368 D CB 1.233 42.023 40.800 -0.016 0.000 1.478 368 D HN 0.687 nan 8.370 nan 0.000 0.438 369 E N -0.009 120.193 120.200 0.003 0.000 2.086 369 E HA -0.370 3.980 4.350 0.000 0.000 0.200 369 E C 1.545 178.200 176.600 0.091 0.000 1.012 369 E CA 1.573 58.010 56.400 0.061 0.000 0.812 369 E CB 0.082 29.831 29.700 0.082 0.000 0.743 369 E HN 0.567 nan 8.360 nan 0.000 0.453 370 Q N -0.355 119.498 119.800 0.087 0.000 2.061 370 Q HA -0.168 4.172 4.340 0.000 0.000 0.204 370 Q C 2.221 178.289 176.000 0.113 0.000 0.984 370 Q CA 2.290 58.152 55.803 0.099 0.000 0.846 370 Q CB -0.180 28.616 28.738 0.097 0.000 0.902 370 Q HN 0.370 nan 8.270 nan 0.000 0.421 371 T N 1.137 115.770 114.554 0.131 0.000 2.622 371 T HA -0.182 4.168 4.350 0.000 0.000 0.266 371 T C 1.956 176.745 174.700 0.147 0.000 1.047 371 T CA 1.685 63.874 62.100 0.148 0.000 1.159 371 T CB -0.258 68.721 68.868 0.186 0.000 0.863 371 T HN 0.293 nan 8.240 nan 0.000 0.422 372 M N 0.627 120.320 119.600 0.155 0.000 2.089 372 M HA -0.154 4.326 4.480 0.000 0.000 0.257 372 M C 2.437 178.868 176.300 0.218 0.000 1.071 372 M CA 1.540 57.005 55.300 0.274 0.000 1.096 372 M CB -0.757 32.031 32.600 0.313 0.000 1.330 372 M HN 0.115 nan 8.290 nan 0.000 0.403 373 V N -0.252 119.732 119.914 0.116 0.000 2.515 373 V HA -0.264 3.857 4.120 0.000 0.000 0.250 373 V C 2.261 178.346 176.094 -0.016 0.000 1.058 373 V CA 1.786 64.085 62.300 -0.001 0.000 1.064 373 V CB -0.813 31.032 31.823 0.037 0.000 0.675 373 V HN 0.541 nan 8.190 nan 0.000 0.461 374 Q N -0.219 119.622 119.800 0.068 0.000 2.050 374 Q HA -0.255 4.085 4.340 0.000 0.000 0.202 374 Q C 2.030 178.110 176.000 0.133 0.000 0.980 374 Q CA 2.011 57.870 55.803 0.093 0.000 0.840 374 Q CB -0.088 28.722 28.738 0.119 0.000 0.898 374 Q HN 0.608 nan 8.270 nan 0.000 0.424 375 D N 0.373 120.876 120.400 0.172 0.000 2.092 375 D HA -0.177 4.463 4.640 0.000 0.000 0.193 375 D C 1.866 178.144 176.300 -0.037 0.000 0.994 375 D CA 1.179 55.293 54.000 0.191 0.000 0.828 375 D CB -0.274 40.630 40.800 0.173 0.000 0.963 375 D HN 0.324 nan 8.370 nan 0.000 0.450 376 I N 0.662 121.187 120.570 -0.076 0.000 2.208 376 I HA -0.254 3.916 4.170 0.000 0.000 0.245 376 I C 2.386 178.379 176.117 -0.208 0.000 1.097 376 I CA 0.682 61.836 61.300 -0.244 0.000 1.363 376 I CB -0.144 37.601 38.000 -0.426 0.000 1.051 376 I HN 0.050 nan 8.210 nan 0.000 0.413 377 L N -0.008 121.137 121.223 -0.131 0.000 2.027 377 L HA -0.217 4.123 4.340 0.000 0.000 0.206 377 L C 2.594 179.536 176.870 0.121 0.000 1.074 377 L CA 1.513 56.357 54.840 0.006 0.000 0.745 377 L CB -0.740 41.340 42.059 0.035 0.000 0.898 377 L HN 0.317 nan 8.230 nan 0.000 0.433 378 L N -0.756 120.566 121.223 0.164 0.000 2.012 378 L HA -0.269 4.071 4.340 0.000 0.000 0.210 378 L C 2.788 179.839 176.870 0.303 0.000 1.073 378 L CA 1.454 56.476 54.840 0.304 0.000 0.748 378 L CB -0.313 42.053 42.059 0.512 0.000 0.891 378 L HN 0.309 nan 8.230 nan 0.000 0.431 379 M N -0.641 118.979 119.600 0.033 0.000 2.065 379 M HA -0.260 4.220 4.480 0.000 0.000 0.259 379 M C 2.338 178.712 176.300 0.123 0.000 1.071 379 M CA 1.870 57.109 55.300 -0.102 0.000 1.109 379 M CB -0.426 31.894 32.600 -0.468 0.000 1.313 379 M HN 0.104 nan 8.290 nan 0.000 0.408 380 K N 0.107 120.484 120.400 -0.038 0.000 2.103 380 K HA -0.205 4.115 4.320 0.000 0.000 0.207 380 K C 1.891 178.481 176.600 -0.017 0.000 1.048 380 K CA 1.465 57.631 56.287 -0.202 0.000 0.930 380 K CB -0.288 31.902 32.500 -0.516 0.000 0.716 380 K HN 0.516 nan 8.250 nan 0.000 0.444 381 Q N 0.173 120.130 119.800 0.262 0.000 2.369 381 Q HA -0.018 4.322 4.340 0.000 0.000 0.206 381 Q C 0.862 177.155 176.000 0.489 0.000 0.963 381 Q CA 0.574 56.651 55.803 0.456 0.000 0.894 381 Q CB 0.167 29.154 28.738 0.414 0.000 0.965 381 Q HN 0.245 nan 8.270 nan 0.000 0.475 382 N N 0.669 119.615 118.700 0.409 0.000 2.279 382 N HA 0.051 4.791 4.740 0.000 0.000 0.226 382 N C -0.597 175.030 175.510 0.196 0.000 1.126 382 N CA 0.062 53.346 53.050 0.390 0.000 0.846 382 N CB 0.657 39.451 38.487 0.512 0.000 1.050 382 N HN 0.162 nan 8.380 nan 0.000 0.502 383 N N 0.003 118.809 118.700 0.177 0.000 2.829 383 N HA -0.181 4.559 4.740 0.000 0.000 0.250 383 N C -0.846 174.562 175.510 -0.170 0.000 1.090 383 N CA 0.716 53.782 53.050 0.026 0.000 0.781 383 N CB -1.734 36.667 38.487 -0.144 0.000 1.124 383 N HN 0.228 nan 8.380 nan 0.000 0.559 384 F N 1.185 121.134 119.950 -0.002 0.000 2.375 384 F HA 0.323 4.850 4.527 0.000 0.000 0.333 384 F C 1.789 177.572 175.800 -0.028 0.000 1.104 384 F CA -0.502 57.483 58.000 -0.025 0.000 1.149 384 F CB 0.812 39.777 39.000 -0.058 0.000 1.190 384 F HN 0.045 nan 8.300 nan 0.000 0.533 385 N N 0.616 119.430 118.700 0.191 0.000 2.160 385 N HA 0.436 5.176 4.740 0.000 0.000 0.226 385 N C -0.860 174.714 175.510 0.107 0.000 1.256 385 N CA 0.016 53.121 53.050 0.090 0.000 0.890 385 N CB 0.727 39.317 38.487 0.172 0.000 1.116 385 N HN 0.483 nan 8.380 nan 0.000 0.517 386 A N -0.542 122.399 122.820 0.202 0.000 2.612 386 A HA 0.765 5.085 4.320 0.000 0.000 0.293 386 A C -1.748 176.043 177.584 0.346 0.000 1.075 386 A CA -0.635 51.578 52.037 0.294 0.000 0.680 386 A CB 1.732 20.947 19.000 0.358 0.000 1.279 386 A HN 0.287 nan 8.150 nan 0.000 0.411 387 V N 0.788 120.951 119.914 0.415 0.000 2.971 387 V HA 0.834 4.954 4.120 0.000 0.000 0.309 387 V C -0.880 175.357 176.094 0.238 0.000 1.130 387 V CA -0.724 61.782 62.300 0.342 0.000 0.964 387 V CB 2.003 33.934 31.823 0.180 0.000 1.029 387 V HN 1.167 nan 8.190 nan 0.000 0.427 388 R N 4.473 124.971 120.500 -0.003 0.000 2.437 388 R HA 0.493 4.833 4.340 0.000 0.000 0.310 388 R C -0.803 175.368 176.300 -0.214 0.000 0.955 388 R CA -0.496 55.439 56.100 -0.275 0.000 0.851 388 R CB 1.276 31.155 30.300 -0.701 0.000 1.161 388 R HN 0.833 nan 8.270 nan 0.000 0.446 389 C N 4.222 123.423 119.300 -0.167 0.000 3.329 389 C HA 0.098 4.558 4.460 0.000 0.000 0.537 389 C C 0.539 175.256 174.990 -0.455 0.000 1.034 389 C CA -0.422 58.444 59.018 -0.255 0.000 1.086 389 C CB -2.195 25.504 27.740 -0.068 0.000 1.392 389 C HN 0.687 nan 8.230 nan 0.000 0.612 390 S N 1.378 116.702 115.700 -0.626 0.000 2.481 390 S HA 0.155 4.625 4.470 0.000 0.000 0.282 390 S C -0.113 173.624 174.600 -1.438 0.000 1.243 390 S CA 0.167 57.744 58.200 -1.039 0.000 1.078 390 S CB 0.078 62.607 63.200 -1.117 0.000 0.916 390 S HN 0.727 nan 8.310 nan 0.000 0.495 391 H N 3.536 121.990 119.070 -1.026 0.000 2.597 391 H HA 0.317 4.873 4.556 0.000 0.000 0.225 391 H C -1.149 174.009 175.328 -0.284 0.000 1.422 391 H CA -0.379 55.427 56.048 -0.404 0.000 1.335 391 H CB -0.135 29.598 29.762 -0.048 0.000 1.783 391 H HN 0.889 nan 8.280 nan 0.000 0.513 392 Y N -2.749 117.648 120.300 0.163 0.000 2.765 392 Y HA 0.390 4.940 4.550 0.000 0.000 0.350 392 Y C -3.303 172.699 175.900 0.170 0.000 1.196 392 Y CA -2.976 55.228 58.100 0.174 0.000 1.119 392 Y CB -0.024 38.542 38.460 0.176 0.000 1.368 392 Y HN -0.081 nan 8.280 nan 0.000 0.463 393 P HA 0.175 nan 4.420 nan 0.000 0.269 393 P C -0.667 176.923 177.300 0.484 0.000 1.209 393 P CA 0.134 63.487 63.100 0.422 0.000 0.776 393 P CB 0.628 32.511 31.700 0.305 0.000 0.876 394 N N 0.165 119.156 118.700 0.485 0.000 2.491 394 N HA 0.115 4.855 4.740 0.000 0.000 0.279 394 N C -0.042 175.695 175.510 0.378 0.000 1.236 394 N CA -0.636 52.608 53.050 0.323 0.000 0.982 394 N CB 0.409 38.863 38.487 -0.055 0.000 1.194 394 N HN 0.592 nan 8.380 nan 0.000 0.582 395 H N 1.792 120.964 119.070 0.170 0.000 3.034 395 H HA 0.014 4.570 4.556 0.000 0.000 0.324 395 H C -1.733 173.778 175.328 0.304 0.000 1.015 395 H CA -0.794 55.360 56.048 0.178 0.000 1.429 395 H CB 1.044 30.870 29.762 0.107 0.000 1.429 395 H HN 0.396 nan 8.280 nan 0.000 0.585 396 P HA -0.226 nan 4.420 nan 0.000 0.217 396 P C 1.770 179.365 177.300 0.492 0.000 1.151 396 P CA 0.877 64.186 63.100 0.348 0.000 0.849 396 P CB 0.155 31.892 31.700 0.061 0.000 0.787 397 L N -1.502 120.084 121.223 0.605 0.000 2.201 397 L HA -0.038 4.302 4.340 0.000 0.000 0.212 397 L C 2.258 179.341 176.870 0.354 0.000 1.105 397 L CA 1.346 56.464 54.840 0.463 0.000 0.775 397 L CB -1.283 41.058 42.059 0.470 0.000 0.913 397 L HN 0.052 nan 8.230 nan 0.000 0.440 398 W N -0.283 121.086 121.300 0.116 0.000 2.318 398 W HA -0.360 4.300 4.660 0.000 0.000 0.313 398 W C 2.104 178.503 176.519 -0.199 0.000 1.221 398 W CA 2.081 59.348 57.345 -0.130 0.000 1.266 398 W CB -0.425 28.824 29.460 -0.352 0.000 1.150 398 W HN 0.279 nan 8.180 nan 0.000 0.496 399 Y N 0.583 120.834 120.300 -0.082 0.000 2.224 399 Y HA -0.230 4.320 4.550 0.000 0.000 0.289 399 Y C 2.854 178.523 175.900 -0.384 0.000 1.146 399 Y CA 2.107 59.934 58.100 -0.455 0.000 1.182 399 Y CB -1.334 36.580 38.460 -0.911 0.000 0.983 399 Y HN -0.198 nan 8.280 nan 0.000 0.524 400 T N 0.492 115.063 114.554 0.028 0.000 2.777 400 T HA -0.108 4.242 4.350 0.000 0.000 0.266 400 T C 2.011 176.747 174.700 0.060 0.000 1.040 400 T CA 1.113 63.297 62.100 0.139 0.000 1.141 400 T CB -0.471 68.537 68.868 0.233 0.000 0.868 400 T HN 0.223 nan 8.240 nan 0.000 0.444 401 L N 0.445 121.672 121.223 0.006 0.000 2.046 401 L HA -0.135 4.205 4.340 0.000 0.000 0.208 401 L C 2.865 179.727 176.870 -0.014 0.000 1.077 401 L CA 1.062 55.930 54.840 0.046 0.000 0.747 401 L CB -0.755 41.284 42.059 -0.033 0.000 0.896 401 L HN 0.383 nan 8.230 nan 0.000 0.432 402 C N -0.229 118.890 119.300 -0.301 0.000 2.425 402 C HA -0.144 4.316 4.460 0.000 0.000 0.277 402 C C 2.397 177.423 174.990 0.059 0.000 1.280 402 C CA 0.381 59.260 59.018 -0.232 0.000 1.744 402 C CB -0.845 26.648 27.740 -0.412 0.000 1.989 402 C HN 0.543 nan 8.230 nan 0.000 0.491 403 D N 0.447 120.883 120.400 0.060 0.000 2.144 403 D HA -0.101 4.539 4.640 0.000 0.000 0.199 403 D C 2.379 178.865 176.300 0.310 0.000 0.984 403 D CA 1.184 55.290 54.000 0.176 0.000 0.834 403 D CB -0.334 40.524 40.800 0.097 0.000 0.955 403 D HN 0.536 nan 8.370 nan 0.000 0.465 404 R N -0.965 119.614 120.500 0.130 0.000 2.080 404 R HA 0.011 4.351 4.340 0.000 0.000 0.222 404 R C 2.173 178.397 176.300 -0.127 0.000 1.107 404 R CA 0.556 56.653 56.100 -0.005 0.000 0.980 404 R CB -0.174 30.037 30.300 -0.148 0.000 0.879 404 R HN 0.266 nan 8.270 nan 0.000 0.439 405 Y N -0.157 120.156 120.300 0.021 0.000 2.395 405 Y HA 0.127 4.677 4.550 0.000 0.000 0.293 405 Y C 1.027 176.859 175.900 -0.114 0.000 1.123 405 Y CA 0.867 58.950 58.100 -0.028 0.000 1.227 405 Y CB 0.600 39.013 38.460 -0.078 0.000 1.012 405 Y HN 0.257 nan 8.280 nan 0.000 0.552 406 G N 1.138 109.960 108.800 0.037 0.000 2.980 406 G HA2 -0.157 3.803 3.960 0.000 0.000 0.255 406 G HA3 -0.157 3.803 3.960 0.000 0.000 0.255 406 G C -1.098 173.631 174.900 -0.284 0.000 1.020 406 G CA -0.551 44.424 45.100 -0.208 0.000 1.230 406 G HN 0.157 nan 8.290 nan 0.000 0.580 407 L N 0.749 121.878 121.223 -0.156 0.000 2.431 407 L HA 0.528 4.868 4.340 0.000 0.000 0.266 407 L C 0.022 176.853 176.870 -0.066 0.000 0.978 407 L CA -1.334 53.376 54.840 -0.216 0.000 0.822 407 L CB 2.001 43.960 42.059 -0.166 0.000 1.310 407 L HN 0.413 nan 8.230 nan 0.000 0.409 408 Y N 1.792 122.198 120.300 0.177 0.000 2.319 408 Y HA 0.421 4.971 4.550 0.000 0.000 0.328 408 Y C 0.206 176.217 175.900 0.185 0.000 1.133 408 Y CA -0.647 57.589 58.100 0.227 0.000 1.265 408 Y CB 1.375 39.954 38.460 0.198 0.000 1.218 408 Y HN 0.151 nan 8.280 nan 0.000 0.508 409 V N 3.750 123.844 119.914 0.300 0.000 2.735 409 V HA 0.384 4.504 4.120 0.000 0.000 0.310 409 V C -0.702 175.477 176.094 0.142 0.000 1.061 409 V CA -1.039 61.386 62.300 0.208 0.000 0.913 409 V CB 2.067 33.981 31.823 0.151 0.000 1.005 409 V HN 0.450 nan 8.190 nan 0.000 0.428 410 V N 2.593 122.566 119.914 0.099 0.000 2.347 410 V HA 0.370 4.490 4.120 0.000 0.000 0.280 410 V C -0.447 175.689 176.094 0.071 0.000 1.021 410 V CA -0.399 61.915 62.300 0.023 0.000 0.847 410 V CB 1.552 33.308 31.823 -0.112 0.000 0.990 410 V HN 0.889 nan 8.190 nan 0.000 0.444 411 D N 3.990 124.462 120.400 0.119 0.000 2.249 411 D HA 0.332 4.972 4.640 0.000 0.000 0.246 411 D C -0.273 176.205 176.300 0.296 0.000 1.114 411 D CA -0.049 54.112 54.000 0.268 0.000 0.854 411 D CB 1.333 42.337 40.800 0.339 0.000 1.132 411 D HN 0.694 nan 8.370 nan 0.000 0.461 412 E N 1.843 122.188 120.200 0.241 0.000 2.210 412 E HA 0.609 4.959 4.350 0.000 0.000 0.266 412 E C -1.017 175.714 176.600 0.219 0.000 0.883 412 E CA -1.061 55.466 56.400 0.212 0.000 0.761 412 E CB 1.356 31.133 29.700 0.127 0.000 1.156 412 E HN 0.473 nan 8.360 nan 0.000 0.412 413 A N 3.806 126.750 122.820 0.206 0.000 2.483 413 A HA 0.020 4.341 4.320 0.000 0.000 0.238 413 A C 0.394 178.097 177.584 0.199 0.000 1.070 413 A CA -0.151 51.989 52.037 0.172 0.000 0.770 413 A CB 0.113 19.181 19.000 0.114 0.000 1.008 413 A HN 0.700 nan 8.150 nan 0.000 0.497 414 N N 1.315 120.141 118.700 0.209 0.000 3.103 414 N HA 0.225 4.965 4.740 0.000 0.000 0.305 414 N C -0.949 174.683 175.510 0.204 0.000 1.232 414 N CA 0.228 53.433 53.050 0.258 0.000 1.190 414 N CB -0.868 37.778 38.487 0.265 0.000 1.461 414 N HN 0.476 nan 8.380 nan 0.000 0.538 415 I N 0.662 121.344 120.570 0.186 0.000 2.500 415 I HA 0.280 4.450 4.170 0.000 0.000 0.286 415 I C -0.598 175.607 176.117 0.148 0.000 1.063 415 I CA -0.680 60.711 61.300 0.151 0.000 1.062 415 I CB 1.929 39.992 38.000 0.106 0.000 1.223 415 I HN 0.212 nan 8.210 nan 0.000 0.435 416 E N 4.269 124.553 120.200 0.140 0.000 2.294 416 E HA 0.299 4.649 4.350 0.000 0.000 0.272 416 E C -0.488 176.171 176.600 0.098 0.000 0.896 416 E CA -0.434 56.024 56.400 0.097 0.000 0.802 416 E CB 1.595 31.338 29.700 0.072 0.000 1.267 416 E HN 0.654 nan 8.360 nan 0.000 0.406 417 T N 0.758 115.362 114.554 0.083 0.000 3.293 417 T HA 0.142 4.492 4.350 0.000 0.000 0.276 417 T C 1.018 175.769 174.700 0.085 0.000 1.003 417 T CA -0.218 61.953 62.100 0.118 0.000 0.916 417 T CB -0.293 68.618 68.868 0.071 0.000 1.134 417 T HN 0.671 nan 8.240 nan 0.000 0.530 418 H N 1.256 120.247 119.070 -0.132 0.000 2.325 418 H HA -0.149 4.407 4.556 0.000 0.000 0.293 418 H C 2.291 177.487 175.328 -0.220 0.000 1.106 418 H CA 1.447 57.379 56.048 -0.194 0.000 1.247 418 H CB -0.283 29.333 29.762 -0.244 0.000 1.359 418 H HN 0.583 nan 8.280 nan 0.000 0.488 419 G N 0.241 108.878 108.800 -0.272 0.000 2.776 419 G HA2 -0.051 3.909 3.960 0.000 0.000 0.209 419 G HA3 -0.051 3.909 3.960 0.000 0.000 0.209 419 G C 0.561 175.555 174.900 0.156 0.000 1.145 419 G CA -0.086 44.888 45.100 -0.209 0.000 0.791 419 G HN 0.151 nan 8.290 nan 0.000 0.530 420 M N 0.024 119.755 119.600 0.218 0.000 2.113 420 M HA 0.345 4.825 4.480 0.000 0.000 0.288 420 M C -0.289 176.040 176.300 0.048 0.000 1.225 420 M CA -0.137 55.248 55.300 0.142 0.000 1.148 420 M CB 1.173 33.810 32.600 0.061 0.000 1.388 420 M HN -0.188 nan 8.290 nan 0.000 0.469 421 V N 2.205 122.126 119.914 0.012 0.000 2.567 421 V HA 0.325 4.446 4.120 0.000 0.000 0.298 421 V C -2.141 173.940 176.094 -0.022 0.000 1.047 421 V CA -1.323 60.972 62.300 -0.009 0.000 0.880 421 V CB 1.929 33.743 31.823 -0.015 0.000 1.009 421 V HN 0.730 nan 8.190 nan 0.000 0.429 422 P HA 0.274 nan 4.420 nan 0.000 0.274 422 P C 1.099 178.394 177.300 -0.009 0.000 1.256 422 P CA -0.552 62.539 63.100 -0.016 0.000 0.795 422 P CB 0.753 32.444 31.700 -0.013 0.000 1.038 423 M N 0.813 120.414 119.600 0.001 0.000 2.260 423 M HA -0.206 4.274 4.480 0.000 0.000 0.261 423 M C 0.964 177.275 176.300 0.018 0.000 1.066 423 M CA 1.927 57.236 55.300 0.016 0.000 1.082 423 M CB -0.380 32.222 32.600 0.004 0.000 1.388 423 M HN 0.387 nan 8.290 nan 0.000 0.419 424 N N -0.265 118.443 118.700 0.012 0.000 2.251 424 N HA -0.047 4.693 4.740 0.000 0.000 0.217 424 N C 1.081 176.554 175.510 -0.063 0.000 1.124 424 N CA 0.056 53.108 53.050 0.003 0.000 0.843 424 N CB -0.640 37.868 38.487 0.034 0.000 1.024 424 N HN 0.353 nan 8.380 nan 0.000 0.501 425 R N 0.537 120.989 120.500 -0.079 0.000 2.103 425 R HA -0.027 4.313 4.340 0.000 0.000 0.242 425 R C 1.422 177.600 176.300 -0.203 0.000 1.142 425 R CA 1.556 57.585 56.100 -0.119 0.000 0.960 425 R CB -0.082 30.148 30.300 -0.116 0.000 0.858 425 R HN 0.304 nan 8.270 nan 0.000 0.439 426 L N -0.733 120.304 121.223 -0.310 0.000 2.202 426 L HA 0.026 4.366 4.340 0.000 0.000 0.205 426 L C 2.445 179.132 176.870 -0.305 0.000 1.083 426 L CA 1.185 55.708 54.840 -0.529 0.000 0.790 426 L CB -0.613 40.862 42.059 -0.974 0.000 0.942 426 L HN 0.363 nan 8.230 nan 0.000 0.452 427 T N -3.915 110.500 114.554 -0.232 0.000 2.977 427 T HA -0.194 4.156 4.350 0.000 0.000 0.271 427 T C 1.220 175.800 174.700 -0.200 0.000 1.105 427 T CA 1.343 63.291 62.100 -0.253 0.000 1.116 427 T CB -0.294 68.379 68.868 -0.325 0.000 0.878 427 T HN 0.111 nan 8.240 nan 0.000 0.509 428 D N 1.209 121.531 120.400 -0.130 0.000 2.342 428 D HA 0.142 4.782 4.640 0.000 0.000 0.221 428 D C -0.466 175.802 176.300 -0.054 0.000 1.101 428 D CA -0.247 53.695 54.000 -0.096 0.000 0.837 428 D CB -0.025 40.730 40.800 -0.076 0.000 0.938 428 D HN 0.341 nan 8.370 nan 0.000 0.508 429 D N -0.515 119.869 120.400 -0.026 0.000 2.408 429 D HA 0.178 4.818 4.640 0.000 0.000 0.243 429 D C -1.799 174.555 176.300 0.090 0.000 1.075 429 D CA -2.281 51.748 54.000 0.048 0.000 0.832 429 D CB 2.310 43.176 40.800 0.110 0.000 1.162 429 D HN -0.128 nan 8.370 nan 0.000 0.515 430 P HA -0.120 nan 4.420 nan 0.000 0.217 430 P C 1.082 178.386 177.300 0.007 0.000 1.148 430 P CA 1.013 64.121 63.100 0.013 0.000 0.828 430 P CB 0.339 32.036 31.700 -0.005 0.000 0.783 431 R N -1.926 118.586 120.500 0.019 0.000 2.152 431 R HA -0.107 4.233 4.340 0.000 0.000 0.232 431 R C 1.656 177.834 176.300 -0.203 0.000 1.117 431 R CA 1.255 57.297 56.100 -0.097 0.000 0.981 431 R CB -0.633 29.585 30.300 -0.136 0.000 0.870 431 R HN 0.317 nan 8.270 nan 0.000 0.451 432 W N -0.608 120.633 121.300 -0.099 0.000 3.278 432 W HA 0.161 4.821 4.660 0.000 0.000 0.308 432 W C 1.352 177.808 176.519 -0.105 0.000 1.253 432 W CA -0.524 56.761 57.345 -0.100 0.000 1.759 432 W CB 0.039 29.435 29.460 -0.106 0.000 1.093 432 W HN 0.038 nan 8.180 nan 0.000 0.648 433 L N 2.322 123.584 121.223 0.066 0.000 2.012 433 L HA -0.083 4.257 4.340 0.000 0.000 0.210 433 L C -0.668 176.173 176.870 -0.049 0.000 1.073 433 L CA 2.311 57.146 54.840 -0.008 0.000 0.748 433 L CB -1.688 40.353 42.059 -0.030 0.000 0.891 433 L HN -0.230 nan 8.230 nan 0.000 0.431 434 P HA -0.132 nan 4.420 nan 0.000 0.216 434 P C 1.612 178.861 177.300 -0.086 0.000 1.153 434 P CA 2.110 65.153 63.100 -0.096 0.000 0.848 434 P CB -0.249 31.385 31.700 -0.110 0.000 0.787 435 A N -0.692 122.091 122.820 -0.061 0.000 1.877 435 A HA -0.196 4.124 4.320 0.000 0.000 0.216 435 A C 2.257 179.852 177.584 0.018 0.000 1.186 435 A CA 1.958 53.989 52.037 -0.009 0.000 0.620 435 A CB -1.493 17.536 19.000 0.048 0.000 0.822 435 A HN 0.088 nan 8.150 nan 0.000 0.443 436 M N -0.221 119.399 119.600 0.032 0.000 2.159 436 M HA -0.144 4.336 4.480 0.000 0.000 0.263 436 M C 2.580 178.829 176.300 -0.085 0.000 1.063 436 M CA 1.718 57.011 55.300 -0.010 0.000 1.110 436 M CB -0.469 32.104 32.600 -0.046 0.000 1.374 436 M HN 0.658 nan 8.290 nan 0.000 0.411 437 S N 0.693 116.317 115.700 -0.127 0.000 2.365 437 S HA -0.199 4.271 4.470 0.000 0.000 0.225 437 S C 1.683 176.120 174.600 -0.271 0.000 1.039 437 S CA 1.546 59.609 58.200 -0.229 0.000 1.033 437 S CB -0.360 62.700 63.200 -0.233 0.000 0.887 437 S HN 0.482 nan 8.310 nan 0.000 0.447 438 E N 0.733 120.822 120.200 -0.186 0.000 2.110 438 E HA -0.112 4.238 4.350 0.000 0.000 0.193 438 E C 2.417 178.933 176.600 -0.141 0.000 0.988 438 E CA 0.917 57.215 56.400 -0.170 0.000 0.804 438 E CB -0.216 29.418 29.700 -0.110 0.000 0.745 438 E HN 0.590 nan 8.360 nan 0.000 0.458 439 R N 0.262 120.708 120.500 -0.091 0.000 2.120 439 R HA -0.086 4.254 4.340 0.000 0.000 0.234 439 R C 2.340 178.596 176.300 -0.073 0.000 1.123 439 R CA 0.820 56.894 56.100 -0.043 0.000 0.975 439 R CB -0.031 30.280 30.300 0.017 0.000 0.866 439 R HN 0.007 nan 8.270 nan 0.000 0.446 440 V N 0.006 119.831 119.914 -0.148 0.000 2.374 440 V HA -0.168 3.952 4.120 0.000 0.000 0.241 440 V C 2.411 178.340 176.094 -0.274 0.000 1.034 440 V CA 1.999 64.196 62.300 -0.172 0.000 1.037 440 V CB -0.303 31.415 31.823 -0.176 0.000 0.682 440 V HN 0.513 nan 8.190 nan 0.000 0.463 441 T N -0.379 113.887 114.554 -0.480 0.000 2.665 441 T HA -0.293 4.057 4.350 0.000 0.000 0.268 441 T C 1.949 176.497 174.700 -0.253 0.000 1.035 441 T CA 1.693 63.435 62.100 -0.595 0.000 1.151 441 T CB -0.472 67.901 68.868 -0.824 0.000 0.862 441 T HN 0.394 nan 8.240 nan 0.000 0.438 442 R N 0.346 120.719 120.500 -0.212 0.000 2.096 442 R HA 0.119 4.459 4.340 0.000 0.000 0.235 442 R C 2.697 178.920 176.300 -0.127 0.000 1.127 442 R CA 1.550 57.562 56.100 -0.147 0.000 0.968 442 R CB -0.500 29.723 30.300 -0.128 0.000 0.861 442 R HN 0.487 nan 8.270 nan 0.000 0.440 443 M N 0.651 120.183 119.600 -0.114 0.000 2.086 443 M HA -0.160 4.320 4.480 0.000 0.000 0.261 443 M C 1.949 178.168 176.300 -0.136 0.000 1.067 443 M CA 1.662 56.919 55.300 -0.073 0.000 1.116 443 M CB 0.051 32.642 32.600 -0.015 0.000 1.348 443 M HN -0.015 nan 8.290 nan 0.000 0.407 444 V N 0.855 120.592 119.914 -0.295 0.000 2.343 444 V HA -0.305 3.815 4.120 0.000 0.000 0.247 444 V C 2.283 178.260 176.094 -0.194 0.000 1.051 444 V CA 2.057 64.067 62.300 -0.483 0.000 1.036 444 V CB -0.922 30.589 31.823 -0.520 0.000 0.654 444 V HN 0.590 nan 8.190 nan 0.000 0.451 445 Q N -0.713 119.010 119.800 -0.128 0.000 2.181 445 Q HA -0.240 4.100 4.340 0.000 0.000 0.205 445 Q C 2.492 178.406 176.000 -0.143 0.000 0.980 445 Q CA 1.710 57.449 55.803 -0.107 0.000 0.862 445 Q CB -0.172 28.523 28.738 -0.072 0.000 0.905 445 Q HN 0.535 nan 8.270 nan 0.000 0.429 446 R N 0.156 120.564 120.500 -0.153 0.000 2.100 446 R HA -0.085 4.255 4.340 0.000 0.000 0.220 446 R C 0.560 176.779 176.300 -0.135 0.000 1.091 446 R CA 1.247 57.233 56.100 -0.189 0.000 0.986 446 R CB 0.415 30.607 30.300 -0.179 0.000 0.888 446 R HN 0.138 nan 8.270 nan 0.000 0.444 447 D N -0.141 120.238 120.400 -0.035 0.000 2.369 447 D HA -0.007 4.633 4.640 0.000 0.000 0.211 447 D C 1.197 177.585 176.300 0.147 0.000 1.077 447 D CA 0.186 54.209 54.000 0.040 0.000 0.842 447 D CB 0.365 41.145 40.800 -0.033 0.000 0.947 447 D HN 0.317 nan 8.370 nan 0.000 0.509 448 R N 0.419 121.012 120.500 0.155 0.000 2.357 448 R HA 0.081 4.421 4.340 0.000 0.000 0.202 448 R C 0.872 177.149 176.300 -0.039 0.000 1.047 448 R CA 0.849 57.051 56.100 0.171 0.000 1.034 448 R CB -0.280 30.117 30.300 0.161 0.000 0.875 448 R HN -0.111 nan 8.270 nan 0.000 0.473 449 N N 0.077 118.675 118.700 -0.169 0.000 2.280 449 N HA -0.009 4.731 4.740 0.000 0.000 0.192 449 N C -0.526 174.828 175.510 -0.260 0.000 1.109 449 N CA 0.131 53.038 53.050 -0.239 0.000 0.855 449 N CB 0.146 38.435 38.487 -0.330 0.000 0.974 449 N HN 0.306 nan 8.380 nan 0.000 0.482 450 H N 1.721 120.701 119.070 -0.151 0.000 2.819 450 H HA 0.090 4.646 4.556 0.000 0.000 0.303 450 H C -1.159 173.999 175.328 -0.283 0.000 1.058 450 H CA -1.121 54.821 56.048 -0.177 0.000 1.471 450 H CB 1.460 31.147 29.762 -0.124 0.000 1.480 450 H HN 0.065 nan 8.280 nan 0.000 0.517 451 P HA -0.152 nan 4.420 nan 0.000 0.218 451 P C 1.352 178.199 177.300 -0.755 0.000 1.149 451 P CA 1.162 63.905 63.100 -0.595 0.000 0.817 451 P CB 0.267 31.393 31.700 -0.958 0.000 0.785 452 S N -1.241 114.091 115.700 -0.612 0.000 2.481 452 S HA 0.001 4.471 4.470 0.000 0.000 0.231 452 S C 1.023 175.593 174.600 -0.049 0.000 0.996 452 S CA 0.062 58.083 58.200 -0.299 0.000 0.942 452 S CB -1.230 61.947 63.200 -0.038 0.000 0.768 452 S HN -0.081 nan 8.310 nan 0.000 0.520 453 V N 3.511 123.357 119.914 -0.114 0.000 2.427 453 V HA 0.267 4.387 4.120 0.000 0.000 0.268 453 V C 1.023 176.975 176.094 -0.237 0.000 1.046 453 V CA -0.131 62.072 62.300 -0.163 0.000 0.970 453 V CB 0.545 32.174 31.823 -0.323 0.000 1.001 453 V HN 0.628 nan 8.190 nan 0.000 0.476 454 I N 2.685 123.166 120.570 -0.148 0.000 4.288 454 I HA 0.511 4.681 4.170 0.000 0.000 0.331 454 I C 0.322 176.320 176.117 -0.197 0.000 1.322 454 I CA 0.394 61.613 61.300 -0.134 0.000 1.149 454 I CB 0.480 38.479 38.000 -0.000 0.000 1.112 454 I HN 0.308 nan 8.210 nan 0.000 0.403 455 I N 0.066 120.499 120.570 -0.228 0.000 2.802 455 I HA 0.380 4.550 4.170 0.000 0.000 0.298 455 I C -1.559 174.442 176.117 -0.193 0.000 1.176 455 I CA -0.431 60.768 61.300 -0.168 0.000 1.025 455 I CB 2.247 40.243 38.000 -0.005 0.000 1.243 455 I HN 0.014 nan 8.210 nan 0.000 0.424 456 W N 3.396 124.739 121.300 0.073 0.000 2.496 456 W HA 0.637 5.297 4.660 0.000 0.000 0.327 456 W C 0.282 176.861 176.519 0.099 0.000 1.086 456 W CA -0.679 56.715 57.345 0.081 0.000 1.222 456 W CB 1.798 31.300 29.460 0.070 0.000 1.304 456 W HN 0.306 nan 8.180 nan 0.000 0.547 457 S N 2.638 118.566 115.700 0.380 0.000 2.521 457 S HA 0.412 4.882 4.470 0.000 0.000 0.295 457 S C 0.143 174.903 174.600 0.267 0.000 1.098 457 S CA -0.698 57.669 58.200 0.279 0.000 0.999 457 S CB 0.853 64.170 63.200 0.195 0.000 1.034 457 S HN 0.581 nan 8.310 nan 0.000 0.483 458 L N 4.030 125.406 121.223 0.254 0.000 2.599 458 L HA 0.377 4.717 4.340 0.000 0.000 0.230 458 L C 1.357 178.300 176.870 0.122 0.000 1.141 458 L CA 0.464 55.385 54.840 0.135 0.000 0.877 458 L CB -0.991 41.056 42.059 -0.022 0.000 1.009 458 L HN 0.977 nan 8.230 nan 0.000 0.447 459 G N -0.102 108.841 108.800 0.237 0.000 2.270 459 G HA2 -0.089 3.871 3.960 0.000 0.000 0.268 459 G HA3 -0.089 3.871 3.960 0.000 0.000 0.268 459 G C -1.783 173.289 174.900 0.286 0.000 1.312 459 G CA -0.649 44.589 45.100 0.230 0.000 1.050 459 G HN 0.140 nan 8.290 nan 0.000 0.474 460 N N -0.110 118.703 118.700 0.188 0.000 2.405 460 N HA 0.472 5.212 4.740 0.000 0.000 0.274 460 N C -0.432 175.036 175.510 -0.070 0.000 1.170 460 N CA -0.021 53.004 53.050 -0.040 0.000 0.848 460 N CB 1.664 39.860 38.487 -0.485 0.000 1.629 460 N HN 0.846 nan 8.380 nan 0.000 0.481 461 E N 0.445 120.511 120.200 -0.224 0.000 2.106 461 E HA -0.192 4.158 4.350 0.000 0.000 0.175 461 E C -0.762 175.756 176.600 -0.137 0.000 1.448 461 E CA 0.725 56.922 56.400 -0.338 0.000 0.672 461 E CB -1.252 27.971 29.700 -0.794 0.000 1.057 461 E HN 0.391 nan 8.360 nan 0.000 0.321 462 S N 0.055 115.820 115.700 0.108 0.000 2.843 462 S HA 0.392 4.862 4.470 0.000 0.000 0.249 462 S C 0.729 175.492 174.600 0.272 0.000 1.047 462 S CA -0.168 58.148 58.200 0.193 0.000 1.042 462 S CB 1.325 64.695 63.200 0.283 0.000 0.936 462 S HN 0.830 nan 8.310 nan 0.000 0.531 463 G N 2.040 110.939 108.800 0.165 0.000 2.578 463 G HA2 -0.271 3.689 3.960 0.000 0.000 0.275 463 G HA3 -0.271 3.689 3.960 0.000 0.000 0.275 463 G C -0.479 174.630 174.900 0.347 0.000 1.271 463 G CA -0.030 45.169 45.100 0.166 0.000 0.941 463 G HN 0.628 nan 8.290 nan 0.000 0.564 464 H N 0.599 119.788 119.070 0.199 0.000 2.823 464 H HA 0.584 5.140 4.556 0.000 0.000 0.332 464 H C 0.242 175.741 175.328 0.286 0.000 0.980 464 H CA 0.072 56.276 56.048 0.259 0.000 1.286 464 H CB 0.840 30.684 29.762 0.137 0.000 1.541 464 H HN 1.140 nan 8.280 nan 0.000 0.521 465 G N 1.415 110.218 108.800 0.006 0.000 2.730 465 G HA2 0.452 4.412 3.960 0.000 0.000 0.289 465 G HA3 0.452 4.412 3.960 0.000 0.000 0.289 465 G C 0.476 175.204 174.900 -0.287 0.000 1.341 465 G CA -0.159 44.797 45.100 -0.241 0.000 0.932 465 G HN 0.648 nan 8.290 nan 0.000 0.481 466 A N 0.089 122.795 122.820 -0.191 0.000 2.024 466 A HA -0.089 4.231 4.320 0.000 0.000 0.220 466 A C 2.092 179.640 177.584 -0.060 0.000 1.164 466 A CA 1.929 53.908 52.037 -0.096 0.000 0.643 466 A CB -0.433 18.536 19.000 -0.052 0.000 0.806 466 A HN 0.515 nan 8.150 nan 0.000 0.451 467 N N -0.341 118.283 118.700 -0.128 0.000 2.223 467 N HA -0.136 4.604 4.740 0.000 0.000 0.185 467 N C 1.394 176.841 175.510 -0.106 0.000 1.016 467 N CA 1.652 54.619 53.050 -0.138 0.000 0.863 467 N CB -0.619 37.738 38.487 -0.215 0.000 0.983 467 N HN 0.792 nan 8.380 nan 0.000 0.429 468 H N 0.259 119.286 119.070 -0.072 0.000 2.326 468 H HA -0.026 4.530 4.556 0.000 0.000 0.301 468 H C 1.232 176.610 175.328 0.082 0.000 1.081 468 H CA 1.248 57.266 56.048 -0.049 0.000 1.334 468 H CB 0.165 29.888 29.762 -0.065 0.000 1.385 468 H HN 0.173 nan 8.280 nan 0.000 0.504 469 D N 0.486 121.030 120.400 0.240 0.000 2.104 469 D HA -0.148 4.492 4.640 0.000 0.000 0.194 469 D C 2.304 178.750 176.300 0.244 0.000 0.994 469 D CA 1.231 55.372 54.000 0.234 0.000 0.830 469 D CB -0.507 40.401 40.800 0.181 0.000 0.959 469 D HN 0.426 nan 8.370 nan 0.000 0.452 470 A N 0.693 123.606 122.820 0.156 0.000 1.902 470 A HA -0.128 4.192 4.320 0.000 0.000 0.217 470 A C 2.402 180.094 177.584 0.180 0.000 1.181 470 A CA 1.005 53.126 52.037 0.141 0.000 0.623 470 A CB -0.729 18.313 19.000 0.070 0.000 0.818 470 A HN 0.217 nan 8.150 nan 0.000 0.443 471 L N -2.281 119.038 121.223 0.160 0.000 2.179 471 L HA -0.111 4.229 4.340 0.000 0.000 0.208 471 L C 2.547 179.566 176.870 0.247 0.000 1.096 471 L CA 1.344 56.283 54.840 0.166 0.000 0.779 471 L CB -0.646 41.447 42.059 0.057 0.000 0.922 471 L HN 0.596 nan 8.230 nan 0.000 0.443 472 Y N 0.828 121.209 120.300 0.135 0.000 2.128 472 Y HA -0.255 4.295 4.550 0.000 0.000 0.284 472 Y C 2.846 178.821 175.900 0.125 0.000 1.154 472 Y CA 1.475 59.654 58.100 0.132 0.000 1.149 472 Y CB -0.162 38.377 38.460 0.131 0.000 0.976 472 Y HN -0.077 nan 8.280 nan 0.000 0.505 473 R N -0.020 120.581 120.500 0.169 0.000 2.096 473 R HA -0.228 4.112 4.340 0.000 0.000 0.235 473 R C 2.069 178.362 176.300 -0.012 0.000 1.127 473 R CA 1.819 57.936 56.100 0.029 0.000 0.968 473 R CB -1.582 28.823 30.300 0.176 0.000 0.861 473 R HN 0.680 nan 8.270 nan 0.000 0.440 474 W N 1.017 122.272 121.300 -0.075 0.000 2.355 474 W HA -0.144 4.516 4.660 0.000 0.000 0.309 474 W C 1.837 178.265 176.519 -0.152 0.000 1.206 474 W CA 1.570 58.858 57.345 -0.094 0.000 1.284 474 W CB -0.313 29.096 29.460 -0.084 0.000 1.145 474 W HN -0.017 nan 8.180 nan 0.000 0.502 475 I N 0.834 121.372 120.570 -0.054 0.000 2.226 475 I HA -0.325 3.845 4.170 0.000 0.000 0.245 475 I C 2.357 178.247 176.117 -0.379 0.000 1.100 475 I CA 1.277 62.382 61.300 -0.325 0.000 1.374 475 I CB -0.824 37.069 38.000 -0.177 0.000 1.057 475 I HN -0.093 nan 8.210 nan 0.000 0.413 476 K N 0.902 121.098 120.400 -0.340 0.000 2.152 476 K HA -0.095 4.225 4.320 0.000 0.000 0.206 476 K C 2.217 178.665 176.600 -0.254 0.000 1.048 476 K CA 1.334 57.446 56.287 -0.292 0.000 0.933 476 K CB -0.411 31.887 32.500 -0.337 0.000 0.721 476 K HN 0.301 nan 8.250 nan 0.000 0.447 477 S N 0.532 116.043 115.700 -0.315 0.000 2.395 477 S HA -0.032 4.438 4.470 0.000 0.000 0.225 477 S C 2.169 176.547 174.600 -0.371 0.000 1.027 477 S CA 0.624 58.647 58.200 -0.295 0.000 0.965 477 S CB -0.027 63.007 63.200 -0.276 0.000 0.812 477 S HN -0.016 nan 8.310 nan 0.000 0.482 478 V N 1.265 120.818 119.914 -0.602 0.000 2.649 478 V HA 0.065 4.185 4.120 0.000 0.000 0.248 478 V C 0.309 176.171 176.094 -0.386 0.000 1.054 478 V CA 1.160 63.098 62.300 -0.603 0.000 1.073 478 V CB -0.123 31.008 31.823 -1.153 0.000 0.699 478 V HN 0.368 nan 8.190 nan 0.000 0.463 479 D N -0.887 119.327 120.400 -0.309 0.000 2.364 479 D HA 0.248 4.888 4.640 0.000 0.000 0.251 479 D C -2.169 174.118 176.300 -0.021 0.000 1.282 479 D CA -1.552 52.382 54.000 -0.110 0.000 0.927 479 D CB 1.686 42.513 40.800 0.045 0.000 1.267 479 D HN 0.087 nan 8.370 nan 0.000 0.531 480 P HA -0.009 nan 4.420 nan 0.000 0.241 480 P C 1.030 178.343 177.300 0.022 0.000 1.191 480 P CA 0.345 63.433 63.100 -0.020 0.000 0.771 480 P CB 0.159 31.839 31.700 -0.033 0.000 0.929 481 S N -1.243 114.480 115.700 0.038 0.000 2.561 481 S HA 0.080 4.550 4.470 0.000 0.000 0.225 481 S C 0.875 175.495 174.600 0.034 0.000 0.977 481 S CA -0.098 58.128 58.200 0.044 0.000 0.926 481 S CB -0.358 62.863 63.200 0.035 0.000 0.769 481 S HN 0.079 nan 8.310 nan 0.000 0.533 482 R N 1.009 121.541 120.500 0.053 0.000 2.673 482 R HA 0.550 4.890 4.340 0.000 0.000 0.281 482 R C -3.235 173.105 176.300 0.067 0.000 0.991 482 R CA -2.176 53.920 56.100 -0.006 0.000 0.896 482 R CB 1.582 31.766 30.300 -0.193 0.000 1.201 482 R HN 0.129 nan 8.270 nan 0.000 0.457 483 P HA 0.170 nan 4.420 nan 0.000 0.274 483 P C -0.790 176.608 177.300 0.163 0.000 1.246 483 P CA -0.479 62.678 63.100 0.094 0.000 0.795 483 P CB 0.724 32.466 31.700 0.070 0.000 1.006 484 V N 1.617 121.657 119.914 0.210 0.000 2.555 484 V HA 0.455 4.575 4.120 0.000 0.000 0.302 484 V C 0.184 176.452 176.094 0.291 0.000 1.038 484 V CA -0.354 62.121 62.300 0.292 0.000 0.887 484 V CB 1.278 33.274 31.823 0.288 0.000 0.991 484 V HN 0.648 nan 8.190 nan 0.000 0.434 485 Q N 3.462 123.416 119.800 0.258 0.000 2.451 485 Q HA 0.800 5.140 4.340 0.000 0.000 0.281 485 Q C -1.882 174.266 176.000 0.246 0.000 1.099 485 Q CA -0.942 54.977 55.803 0.194 0.000 0.806 485 Q CB 2.972 31.773 28.738 0.104 0.000 1.419 485 Q HN 0.661 nan 8.270 nan 0.000 0.427 486 Y N 0.342 120.645 120.300 0.004 0.000 2.314 486 Y HA 0.139 4.689 4.550 0.000 0.000 0.317 486 Y C -0.505 175.331 175.900 -0.106 0.000 1.234 486 Y CA -0.666 57.405 58.100 -0.049 0.000 1.111 486 Y CB 1.968 40.389 38.460 -0.066 0.000 1.283 486 Y HN 0.963 nan 8.280 nan 0.000 0.418 487 E N 3.495 123.240 120.200 -0.759 0.000 2.299 487 E HA 0.109 4.459 4.350 0.000 0.000 0.193 487 E C 0.713 176.857 176.600 -0.760 0.000 0.998 487 E CA 0.748 56.778 56.400 -0.616 0.000 0.851 487 E CB 0.238 29.686 29.700 -0.420 0.000 0.795 487 E HN 0.888 nan 8.360 nan 0.000 0.492 488 G N -0.188 107.740 108.800 -1.454 0.000 2.559 488 G HA2 0.222 4.182 3.960 0.000 0.000 0.235 488 G HA3 0.222 4.182 3.960 0.000 0.000 0.235 488 G C 0.772 175.510 174.900 -0.270 0.000 1.266 488 G CA 0.258 44.914 45.100 -0.739 0.000 0.847 488 G HN 0.328 nan 8.290 nan 0.000 0.583 489 G N -0.643 108.105 108.800 -0.088 0.000 2.198 489 G HA2 0.228 4.188 3.960 0.000 0.000 0.260 489 G HA3 0.228 4.188 3.960 0.000 0.000 0.260 489 G C 1.267 176.158 174.900 -0.016 0.000 1.025 489 G CA 1.034 46.145 45.100 0.019 0.000 0.769 489 G HN 2.600 nan 8.290 nan 0.000 0.507 490 G N -1.680 107.104 108.800 -0.027 0.000 2.229 490 G HA2 0.418 4.378 3.960 0.000 0.000 0.189 490 G HA3 0.418 4.378 3.960 0.000 0.000 0.189 490 G C 1.071 176.057 174.900 0.144 0.000 1.000 490 G CA 1.327 46.468 45.100 0.068 0.000 0.663 490 G HN 2.347 nan 8.290 nan 0.000 0.493 491 A N -0.183 122.615 122.820 -0.037 0.000 3.413 491 A HA -0.103 4.217 4.320 0.000 0.000 0.268 491 A C 1.115 178.633 177.584 -0.111 0.000 1.128 491 A CA 2.661 54.626 52.037 -0.120 0.000 1.062 491 A CB -1.804 17.106 19.000 -0.150 0.000 1.121 491 A HN 2.131 nan 8.150 nan 0.000 0.895 492 D N -1.116 119.288 120.400 0.008 0.000 2.636 492 D HA 0.285 4.926 4.640 0.000 0.000 0.270 492 D C 0.461 176.744 176.300 -0.027 0.000 1.430 492 D CA 0.903 54.917 54.000 0.023 0.000 0.796 492 D CB -1.173 39.771 40.800 0.241 0.000 1.117 492 D HN 0.863 nan 8.370 nan 0.000 0.480 493 T N -2.068 112.404 114.554 -0.136 0.000 2.652 493 T HA 0.153 4.503 4.350 0.000 0.000 0.319 493 T C 1.623 176.186 174.700 -0.227 0.000 1.029 493 T CA 0.664 62.613 62.100 -0.251 0.000 0.990 493 T CB 0.695 69.191 68.868 -0.620 0.000 1.098 493 T HN 0.085 nan 8.240 nan 0.000 0.520 494 T N -2.345 112.061 114.554 -0.248 0.000 3.113 494 T HA 0.211 4.561 4.350 0.000 0.000 0.263 494 T C 1.667 176.088 174.700 -0.466 0.000 1.143 494 T CA 0.360 62.322 62.100 -0.230 0.000 1.090 494 T CB -0.479 68.328 68.868 -0.101 0.000 0.922 494 T HN 0.828 nan 8.240 nan 0.000 0.521 495 A N 0.468 123.041 122.820 -0.413 0.000 2.379 495 A HA 0.479 4.799 4.320 0.000 0.000 0.236 495 A C 0.930 178.303 177.584 -0.352 0.000 1.272 495 A CA -0.167 51.572 52.037 -0.496 0.000 0.886 495 A CB 0.023 19.009 19.000 -0.023 0.000 0.962 495 A HN 0.433 nan 8.150 nan 0.000 0.504 496 T N -1.539 112.854 114.554 -0.269 0.000 2.912 496 T HA 0.393 4.743 4.350 0.000 0.000 0.299 496 T C -0.592 174.123 174.700 0.025 0.000 1.052 496 T CA -0.454 61.636 62.100 -0.017 0.000 0.996 496 T CB 1.327 70.184 68.868 -0.019 0.000 1.070 496 T HN 0.066 nan 8.240 nan 0.000 0.465 497 D N 2.666 123.158 120.400 0.153 0.000 2.354 497 D HA 0.298 4.938 4.640 0.000 0.000 0.209 497 D C 0.266 176.595 176.300 0.047 0.000 1.015 497 D CA 0.658 54.736 54.000 0.131 0.000 0.867 497 D CB 0.394 41.300 40.800 0.176 0.000 0.933 497 D HN 0.529 nan 8.370 nan 0.000 0.520 498 I N 0.804 121.381 120.570 0.013 0.000 2.582 498 I HA 0.259 4.429 4.170 0.000 0.000 0.292 498 I C -0.305 175.745 176.117 -0.111 0.000 1.066 498 I CA -0.907 60.367 61.300 -0.044 0.000 1.053 498 I CB 2.937 40.922 38.000 -0.025 0.000 1.241 498 I HN -0.356 nan 8.210 nan 0.000 0.421 499 I N 5.433 125.892 120.570 -0.185 0.000 2.436 499 I HA 0.082 4.252 4.170 0.000 0.000 0.289 499 I C 0.027 175.937 176.117 -0.346 0.000 1.083 499 I CA -0.044 61.056 61.300 -0.333 0.000 1.372 499 I CB 0.165 37.864 38.000 -0.502 0.000 1.408 499 I HN 0.653 nan 8.210 nan 0.000 0.516 500 C N 5.527 124.638 119.300 -0.314 0.000 3.414 500 C HA 0.479 4.940 4.460 0.000 0.000 0.208 500 C C -2.222 172.622 174.990 -0.243 0.000 1.422 500 C CA -2.287 56.591 59.018 -0.234 0.000 1.437 500 C CB -0.878 26.783 27.740 -0.132 0.000 1.850 500 C HN 0.401 nan 8.230 nan 0.000 0.481 501 P HA 0.380 nan 4.420 nan 0.000 0.275 501 P C -0.465 176.765 177.300 -0.116 0.000 1.266 501 P CA 0.132 63.117 63.100 -0.192 0.000 0.793 501 P CB 0.683 32.279 31.700 -0.172 0.000 1.074 502 M N -0.431 119.127 119.600 -0.069 0.000 2.197 502 M HA 0.475 4.955 4.480 0.000 0.000 0.301 502 M C -0.985 175.273 176.300 -0.071 0.000 0.987 502 M CA -0.652 54.515 55.300 -0.221 0.000 0.921 502 M CB 1.529 33.968 32.600 -0.268 0.000 1.569 502 M HN 0.340 nan 8.290 nan 0.000 0.431 503 Y N -0.303 120.143 120.300 0.243 0.000 4.569 503 Y HA -0.201 4.349 4.550 0.000 0.000 0.237 503 Y C 0.448 176.500 175.900 0.253 0.000 1.090 503 Y CA 0.436 58.680 58.100 0.240 0.000 2.052 503 Y CB -2.270 36.295 38.460 0.175 0.000 1.621 503 Y HN 0.994 nan 8.280 nan 0.000 0.682 504 A N 1.221 124.236 122.820 0.324 0.000 2.425 504 A HA 0.606 4.926 4.320 0.000 0.000 0.249 504 A C 0.723 178.501 177.584 0.323 0.000 1.084 504 A CA -0.470 51.764 52.037 0.329 0.000 0.781 504 A CB 0.422 19.651 19.000 0.381 0.000 1.019 504 A HN 0.405 nan 8.150 nan 0.000 0.490 505 R N 1.376 122.003 120.500 0.211 0.000 2.546 505 R HA 0.333 4.673 4.340 0.000 0.000 0.266 505 R C 0.952 177.224 176.300 -0.048 0.000 1.086 505 R CA -0.752 55.411 56.100 0.106 0.000 1.160 505 R CB 0.538 30.872 30.300 0.057 0.000 1.138 505 R HN 0.469 nan 8.270 nan 0.000 0.567 506 V N 0.630 120.369 119.914 -0.292 0.000 2.283 506 V HA -0.191 3.929 4.120 0.000 0.000 0.243 506 V C 0.929 176.907 176.094 -0.194 0.000 1.039 506 V CA 1.877 63.956 62.300 -0.368 0.000 1.016 506 V CB -0.248 31.240 31.823 -0.559 0.000 0.650 506 V HN 0.751 nan 8.190 nan 0.000 0.449 507 D N -1.586 118.732 120.400 -0.136 0.000 2.479 507 D HA 0.155 4.795 4.640 0.000 0.000 0.216 507 D C 0.649 176.928 176.300 -0.035 0.000 1.110 507 D CA 0.065 54.017 54.000 -0.080 0.000 0.841 507 D CB 0.838 41.595 40.800 -0.071 0.000 1.040 507 D HN 0.482 nan 8.370 nan 0.000 0.505 508 E N 1.225 121.411 120.200 -0.024 0.000 2.242 508 E HA 0.222 4.572 4.350 0.000 0.000 0.275 508 E C -0.804 175.797 176.600 0.001 0.000 1.002 508 E CA -0.580 55.814 56.400 -0.010 0.000 0.841 508 E CB 1.499 31.192 29.700 -0.011 0.000 1.109 508 E HN -0.122 nan 8.360 nan 0.000 0.394 509 D N 1.962 122.359 120.400 -0.005 0.000 2.193 509 D HA 0.174 4.814 4.640 0.000 0.000 0.249 509 D C -0.645 175.554 176.300 -0.169 0.000 1.034 509 D CA -0.164 53.826 54.000 -0.017 0.000 0.902 509 D CB 1.183 42.036 40.800 0.089 0.000 1.182 509 D HN 0.237 nan 8.370 nan 0.000 0.436 510 Q N 1.692 121.278 119.800 -0.358 0.000 2.616 510 Q HA 0.275 4.615 4.340 0.000 0.000 0.250 510 Q C -2.313 173.040 176.000 -1.078 0.000 0.991 510 Q CA -1.607 53.790 55.803 -0.676 0.000 0.707 510 Q CB 2.525 30.864 28.738 -0.665 0.000 1.247 510 Q HN 0.139 nan 8.270 nan 0.000 0.491 511 P HA 0.084 nan 4.420 nan 0.000 0.214 511 P C -0.773 176.204 177.300 -0.537 0.000 1.826 511 P CA -0.168 62.515 63.100 -0.695 0.000 0.977 511 P CB -0.523 30.966 31.700 -0.352 0.000 1.930 512 F N 2.615 122.418 119.950 -0.244 0.000 2.459 512 F HA 0.243 4.770 4.527 0.000 0.000 0.346 512 F C -1.168 174.527 175.800 -0.175 0.000 1.128 512 F CA -2.566 55.335 58.000 -0.166 0.000 1.268 512 F CB -0.348 38.568 39.000 -0.140 0.000 1.161 512 F HN 0.073 nan 8.300 nan 0.000 0.583 513 P HA 0.075 nan 4.420 nan 0.000 0.268 513 P C 0.322 177.638 177.300 0.026 0.000 1.204 513 P CA 0.859 63.977 63.100 0.029 0.000 0.768 513 P CB 1.175 32.892 31.700 0.029 0.000 0.842 514 A N 3.008 125.830 122.820 0.004 0.000 2.617 514 A HA -0.253 4.067 4.320 0.000 0.000 0.236 514 A C 0.723 178.306 177.584 -0.001 0.000 0.514 514 A CA 2.090 54.132 52.037 0.008 0.000 1.126 514 A CB -2.699 16.308 19.000 0.013 0.000 1.393 514 A HN 0.717 nan 8.150 nan 0.000 0.693 515 V N -3.222 116.692 119.914 -0.000 0.000 2.502 515 V HA 0.567 4.687 4.120 0.000 0.000 0.261 515 V C -2.432 173.659 176.094 -0.004 0.000 0.996 515 V CA -1.205 61.094 62.300 -0.002 0.000 1.095 515 V CB 0.751 32.580 31.823 0.011 0.000 1.325 515 V HN 0.479 nan 8.190 nan 0.000 0.574 516 P HA 0.351 nan 4.420 nan 0.000 0.274 516 P C -0.755 176.098 177.300 -0.744 0.000 1.246 516 P CA -0.022 62.714 63.100 -0.606 0.000 0.795 516 P CB 1.055 31.983 31.700 -1.287 0.000 1.006 517 K N 1.648 121.618 120.400 -0.717 0.000 2.521 517 K HA 0.252 4.572 4.320 0.000 0.000 0.248 517 K C -0.529 175.752 176.600 -0.532 0.000 0.978 517 K CA -0.282 55.747 56.287 -0.430 0.000 0.947 517 K CB 0.717 33.265 32.500 0.080 0.000 1.165 517 K HN 0.473 nan 8.250 nan 0.000 0.445 518 W N 1.391 122.377 121.300 -0.523 0.000 2.129 518 W HA 0.078 4.738 4.660 0.000 0.000 0.349 518 W C 1.304 177.816 176.519 -0.012 0.000 1.279 518 W CA -0.683 56.453 57.345 -0.349 0.000 1.306 518 W CB 0.555 29.631 29.460 -0.640 0.000 1.140 518 W HN 0.409 nan 8.180 nan 0.000 0.613 519 S N 3.077 118.930 115.700 0.255 0.000 2.552 519 S HA -0.071 4.399 4.470 0.000 0.000 0.289 519 S C 1.149 175.886 174.600 0.229 0.000 1.304 519 S CA -0.292 58.001 58.200 0.155 0.000 1.063 519 S CB 0.146 63.380 63.200 0.056 0.000 0.848 519 S HN 0.522 nan 8.310 nan 0.000 0.499 520 I N 2.345 123.018 120.570 0.172 0.000 2.454 520 I HA -0.156 4.014 4.170 0.000 0.000 0.254 520 I C 1.834 177.968 176.117 0.028 0.000 1.156 520 I CA 1.144 62.549 61.300 0.174 0.000 1.433 520 I CB -0.494 37.548 38.000 0.071 0.000 1.082 520 I HN 0.625 nan 8.210 nan 0.000 0.432 521 K N 2.054 122.377 120.400 -0.129 0.000 2.155 521 K HA -0.150 4.170 4.320 0.000 0.000 0.203 521 K C 2.154 178.731 176.600 -0.038 0.000 1.052 521 K CA 1.522 57.653 56.287 -0.260 0.000 0.948 521 K CB -0.281 31.969 32.500 -0.417 0.000 0.728 521 K HN 0.451 nan 8.250 nan 0.000 0.448 522 K N 0.588 120.992 120.400 0.006 0.000 2.167 522 K HA -0.134 4.187 4.320 0.000 0.000 0.203 522 K C 1.865 178.464 176.600 -0.003 0.000 1.052 522 K CA 0.510 56.784 56.287 -0.022 0.000 0.956 522 K CB -0.060 32.393 32.500 -0.078 0.000 0.735 522 K HN 0.169 nan 8.250 nan 0.000 0.451 523 W N 2.021 123.278 121.300 -0.072 0.000 2.342 523 W HA -0.176 4.485 4.660 0.000 0.000 0.297 523 W C 1.453 177.935 176.519 -0.061 0.000 1.213 523 W CA 1.200 58.514 57.345 -0.052 0.000 1.251 523 W CB -0.407 29.114 29.460 0.102 0.000 1.136 523 W HN 0.108 nan 8.180 nan 0.000 0.526 524 L N 0.765 122.138 121.223 0.251 0.000 2.191 524 L HA -0.211 4.129 4.340 0.000 0.000 0.212 524 L C 2.478 179.404 176.870 0.095 0.000 1.103 524 L CA 1.770 56.695 54.840 0.142 0.000 0.769 524 L CB -0.979 41.144 42.059 0.105 0.000 0.908 524 L HN -0.031 nan 8.230 nan 0.000 0.438 525 S N -0.929 114.805 115.700 0.058 0.000 2.575 525 S HA 0.158 4.629 4.470 0.000 0.000 0.215 525 S C 0.765 175.342 174.600 -0.038 0.000 0.966 525 S CA -0.465 57.742 58.200 0.011 0.000 0.911 525 S CB -0.431 62.771 63.200 0.003 0.000 0.780 525 S HN 0.187 nan 8.310 nan 0.000 0.514 526 L N 2.147 123.334 121.223 -0.060 0.000 2.506 526 L HA 0.241 4.581 4.340 0.000 0.000 0.281 526 L C -2.236 174.600 176.870 -0.056 0.000 1.228 526 L CA -1.728 53.038 54.840 -0.124 0.000 0.850 526 L CB -0.431 41.517 42.059 -0.184 0.000 1.110 526 L HN 0.039 nan 8.230 nan 0.000 0.496 527 P HA -0.000 nan 4.420 nan 0.000 0.260 527 P C 0.796 178.087 177.300 -0.015 0.000 1.185 527 P CA 0.916 63.992 63.100 -0.040 0.000 0.763 527 P CB 0.569 32.240 31.700 -0.048 0.000 0.776 528 G N 1.985 110.783 108.800 -0.004 0.000 2.199 528 G HA2 -0.262 3.698 3.960 0.000 0.000 0.254 528 G HA3 -0.262 3.698 3.960 0.000 0.000 0.254 528 G C 0.253 175.166 174.900 0.022 0.000 0.982 528 G CA 0.000 45.106 45.100 0.009 0.000 0.632 528 G HN 0.605 nan 8.290 nan 0.000 0.529 529 E N 1.136 121.354 120.200 0.031 0.000 2.338 529 E HA 0.588 4.938 4.350 0.000 0.000 0.272 529 E C 1.377 177.999 176.600 0.037 0.000 1.029 529 E CA 0.639 57.070 56.400 0.051 0.000 0.872 529 E CB 0.836 30.593 29.700 0.095 0.000 1.015 529 E HN 0.561 nan 8.360 nan 0.000 0.417 530 T N 0.628 115.200 114.554 0.030 0.000 3.087 530 T HA 0.332 4.682 4.350 0.000 0.000 0.283 530 T C 0.603 175.310 174.700 0.011 0.000 0.956 530 T CA -0.435 61.677 62.100 0.020 0.000 0.894 530 T CB 0.108 68.987 68.868 0.019 0.000 1.160 530 T HN 0.243 nan 8.240 nan 0.000 0.532 531 R N 2.167 122.670 120.500 0.004 0.000 2.707 531 R HA 0.469 4.809 4.340 0.000 0.000 0.270 531 R C -2.542 173.736 176.300 -0.037 0.000 1.083 531 R CA -1.735 54.357 56.100 -0.015 0.000 1.182 531 R CB 0.037 30.321 30.300 -0.027 0.000 1.084 531 R HN 0.228 nan 8.270 nan 0.000 0.528 532 P HA 0.136 nan 4.420 nan 0.000 0.276 532 P C -1.119 176.110 177.300 -0.119 0.000 1.252 532 P CA -0.229 62.828 63.100 -0.072 0.000 0.802 532 P CB 0.660 32.318 31.700 -0.070 0.000 1.035 533 L N 2.061 123.195 121.223 -0.150 0.000 2.376 533 L HA 0.583 4.924 4.340 0.000 0.000 0.275 533 L C -1.169 175.563 176.870 -0.232 0.000 0.987 533 L CA -0.566 54.146 54.840 -0.213 0.000 0.828 533 L CB 0.641 42.565 42.059 -0.225 0.000 1.249 533 L HN 0.222 nan 8.230 nan 0.000 0.409 534 I N 5.745 126.182 120.570 -0.221 0.000 2.500 534 I HA 0.264 4.434 4.170 0.000 0.000 0.286 534 I C -0.790 175.234 176.117 -0.154 0.000 1.063 534 I CA -0.556 60.606 61.300 -0.229 0.000 1.062 534 I CB 2.040 39.960 38.000 -0.134 0.000 1.223 534 I HN 0.482 nan 8.210 nan 0.000 0.435 535 L N 5.668 126.772 121.223 -0.198 0.000 2.410 535 L HA 0.052 4.392 4.340 0.000 0.000 0.273 535 L C 1.502 178.441 176.870 0.115 0.000 1.144 535 L CA -0.183 54.601 54.840 -0.092 0.000 0.863 535 L CB 0.734 42.707 42.059 -0.143 0.000 1.140 535 L HN 0.870 nan 8.230 nan 0.000 0.463 536 C N 0.604 119.949 119.300 0.075 0.000 2.446 536 C HA 0.096 4.556 4.460 0.000 0.000 0.279 536 C C 0.646 175.756 174.990 0.200 0.000 1.366 536 C CA -0.080 59.014 59.018 0.128 0.000 1.763 536 C CB -0.985 26.742 27.740 -0.021 0.000 1.929 536 C HN 0.825 nan 8.230 nan 0.000 0.509 537 E N -0.827 119.422 120.200 0.081 0.000 2.304 537 E HA 0.607 4.957 4.350 0.000 0.000 0.277 537 E C -1.301 175.250 176.600 -0.081 0.000 0.898 537 E CA -0.396 56.045 56.400 0.069 0.000 0.764 537 E CB 1.832 31.411 29.700 -0.202 0.000 1.216 537 E HN 0.692 nan 8.360 nan 0.000 0.419 538 Y N -0.913 119.379 120.300 -0.014 0.000 2.670 538 Y HA 0.668 5.218 4.550 0.000 0.000 0.334 538 Y C -0.593 175.474 175.900 0.280 0.000 1.185 538 Y CA -0.996 57.106 58.100 0.004 0.000 1.053 538 Y CB 1.023 39.365 38.460 -0.197 0.000 1.298 538 Y HN 0.653 nan 8.280 nan 0.000 0.459 539 A N 1.928 124.808 122.820 0.101 0.000 2.303 539 A HA -0.270 4.050 4.320 0.000 0.000 0.286 539 A C -0.355 177.363 177.584 0.222 0.000 1.429 539 A CA 1.039 53.127 52.037 0.086 0.000 0.738 539 A CB -2.495 16.419 19.000 -0.143 0.000 1.149 539 A HN 1.058 nan 8.150 nan 0.000 0.364 540 H N 0.860 120.084 119.070 0.255 0.000 3.226 540 H HA 0.224 4.780 4.556 0.000 0.000 0.260 540 H C 1.227 176.624 175.328 0.115 0.000 0.967 540 H CA 0.794 57.003 56.048 0.267 0.000 1.435 540 H CB 0.345 30.143 29.762 0.060 0.000 1.533 540 H HN 0.816 nan 8.280 nan 0.000 0.525 541 A N 6.441 129.197 122.820 -0.107 0.000 2.426 541 A HA 0.019 4.339 4.320 0.000 0.000 0.247 541 A C 0.986 178.440 177.584 -0.217 0.000 1.389 541 A CA -0.291 51.646 52.037 -0.166 0.000 1.129 541 A CB -0.671 18.213 19.000 -0.194 0.000 0.928 541 A HN 0.793 nan 8.150 nan 0.000 0.557 542 M N 1.348 120.808 119.600 -0.232 0.000 2.156 542 M HA 0.432 4.912 4.480 0.000 0.000 0.345 542 M C 0.976 177.125 176.300 -0.251 0.000 1.398 542 M CA 1.239 56.405 55.300 -0.223 0.000 1.148 542 M CB -0.322 32.192 32.600 -0.143 0.000 1.663 542 M HN 0.796 nan 8.290 nan 0.000 0.464 543 G N 4.327 112.956 108.800 -0.284 0.000 2.528 543 G HA2 -0.327 3.633 3.960 0.000 0.000 0.262 543 G HA3 -0.327 3.633 3.960 0.000 0.000 0.262 543 G C -0.280 174.157 174.900 -0.772 0.000 1.200 543 G CA -0.045 44.732 45.100 -0.538 0.000 0.951 543 G HN 0.817 nan 8.290 nan 0.000 0.566 544 N N 1.348 119.448 118.700 -0.999 0.000 2.421 544 N HA 0.525 5.265 4.740 0.000 0.000 0.260 544 N C -0.007 175.247 175.510 -0.426 0.000 1.173 544 N CA 1.086 53.678 53.050 -0.764 0.000 0.960 544 N CB 0.526 38.572 38.487 -0.735 0.000 1.273 544 N HN 0.792 nan 8.380 nan 0.000 0.497 545 S N 1.910 117.441 115.700 -0.283 0.000 2.998 545 S HA 0.588 5.058 4.470 0.000 0.000 0.321 545 S C -0.193 174.334 174.600 -0.122 0.000 1.171 545 S CA -0.396 57.695 58.200 -0.182 0.000 0.882 545 S CB 0.169 63.285 63.200 -0.141 0.000 1.301 545 S HN 0.396 nan 8.310 nan 0.000 0.629 546 L N 0.194 121.377 121.223 -0.067 0.000 4.613 546 L HA -0.067 4.273 4.340 0.000 0.000 0.409 546 L C 0.460 177.361 176.870 0.051 0.000 1.100 546 L CA 0.893 55.714 54.840 -0.032 0.000 1.029 546 L CB -1.712 40.241 42.059 -0.178 0.000 2.137 546 L HN 0.702 nan 8.230 nan 0.000 0.713 547 G N -0.854 107.952 108.800 0.009 0.000 2.378 547 G HA2 0.487 4.447 3.960 0.000 0.000 0.255 547 G HA3 0.487 4.447 3.960 0.000 0.000 0.255 547 G C 1.211 176.162 174.900 0.086 0.000 1.270 547 G CA 0.150 45.238 45.100 -0.019 0.000 0.876 547 G HN 1.375 nan 8.290 nan 0.000 0.521 548 G N 1.587 110.442 108.800 0.093 0.000 2.175 548 G HA2 -0.309 3.651 3.960 0.000 0.000 0.244 548 G HA3 -0.309 3.651 3.960 0.000 0.000 0.244 548 G C 1.001 176.105 174.900 0.341 0.000 0.982 548 G CA 0.718 45.932 45.100 0.190 0.000 0.641 548 G HN 0.775 nan 8.290 nan 0.000 0.527 549 F N 1.873 121.952 119.950 0.214 0.000 2.126 549 F HA 0.116 4.643 4.527 0.000 0.000 0.299 549 F C 2.670 178.693 175.800 0.371 0.000 1.096 549 F CA 2.555 60.749 58.000 0.323 0.000 1.255 549 F CB -0.439 38.679 39.000 0.197 0.000 0.997 549 F HN 0.351 nan 8.300 nan 0.000 0.479 550 A N -0.127 122.851 122.820 0.263 0.000 1.972 550 A HA -0.207 4.114 4.320 0.000 0.000 0.219 550 A C 2.298 179.901 177.584 0.032 0.000 1.169 550 A CA 1.621 53.743 52.037 0.141 0.000 0.635 550 A CB -0.664 18.427 19.000 0.152 0.000 0.810 550 A HN 0.409 nan 8.150 nan 0.000 0.446 551 K N -1.448 118.959 120.400 0.012 0.000 2.063 551 K HA -0.201 4.119 4.320 0.000 0.000 0.208 551 K C 1.809 178.191 176.600 -0.363 0.000 1.048 551 K CA 1.935 58.138 56.287 -0.139 0.000 0.928 551 K CB -0.384 32.009 32.500 -0.178 0.000 0.713 551 K HN 0.673 nan 8.250 nan 0.000 0.442 552 Y N -0.689 119.347 120.300 -0.440 0.000 2.145 552 Y HA -0.259 4.291 4.550 0.000 0.000 0.286 552 Y C 2.172 177.144 175.900 -1.548 0.000 1.145 552 Y CA 1.361 58.849 58.100 -1.020 0.000 1.148 552 Y CB -0.397 37.467 38.460 -0.994 0.000 0.981 552 Y HN 0.169 nan 8.280 nan 0.000 0.507 553 W N 0.149 121.043 121.300 -0.676 0.000 2.374 553 W HA -0.191 4.469 4.660 0.000 0.000 0.288 553 W C 2.593 178.933 176.519 -0.298 0.000 1.218 553 W CA 1.585 58.647 57.345 -0.472 0.000 1.245 553 W CB -0.546 28.723 29.460 -0.317 0.000 1.126 553 W HN 0.113 nan 8.180 nan 0.000 0.545 554 Q N -0.028 119.674 119.800 -0.164 0.000 2.079 554 Q HA -0.149 4.191 4.340 0.000 0.000 0.200 554 Q C 2.330 178.259 176.000 -0.118 0.000 0.974 554 Q CA 1.689 57.439 55.803 -0.088 0.000 0.840 554 Q CB -0.331 28.369 28.738 -0.062 0.000 0.898 554 Q HN 0.258 nan 8.270 nan 0.000 0.430 555 A N 0.153 122.809 122.820 -0.275 0.000 1.902 555 A HA -0.144 4.176 4.320 0.000 0.000 0.217 555 A C 1.828 179.367 177.584 -0.076 0.000 1.181 555 A CA 1.026 52.939 52.037 -0.207 0.000 0.623 555 A CB -1.002 17.750 19.000 -0.414 0.000 0.818 555 A HN 0.471 nan 8.150 nan 0.000 0.443 556 F N -0.592 119.185 119.950 -0.290 0.000 2.161 556 F HA -0.188 4.339 4.527 0.000 0.000 0.300 556 F C 2.719 178.421 175.800 -0.164 0.000 1.089 556 F CA 1.084 58.884 58.000 -0.333 0.000 1.282 556 F CB -0.134 38.462 39.000 -0.674 0.000 1.010 556 F HN 0.143 nan 8.300 nan 0.000 0.485 557 R N -0.002 120.556 120.500 0.097 0.000 2.148 557 R HA -0.149 4.191 4.340 0.000 0.000 0.223 557 R C 2.113 178.451 176.300 0.064 0.000 1.088 557 R CA 1.003 57.148 56.100 0.075 0.000 0.985 557 R CB -0.246 30.094 30.300 0.066 0.000 0.880 557 R HN 0.374 nan 8.270 nan 0.000 0.451 558 Q N -0.572 119.293 119.800 0.109 0.000 2.302 558 Q HA -0.022 4.318 4.340 0.000 0.000 0.202 558 Q C -0.561 175.470 176.000 0.051 0.000 0.936 558 Q CA 0.698 56.554 55.803 0.089 0.000 0.886 558 Q CB 0.473 29.287 28.738 0.127 0.000 0.986 558 Q HN 0.167 nan 8.270 nan 0.000 0.487 559 Y N 0.114 120.396 120.300 -0.030 0.000 2.331 559 Y HA 0.297 4.847 4.550 0.000 0.000 0.338 559 Y C -1.800 174.077 175.900 -0.039 0.000 0.976 559 Y CA -2.859 55.223 58.100 -0.030 0.000 1.137 559 Y CB 1.513 39.958 38.460 -0.024 0.000 1.172 559 Y HN 0.081 nan 8.280 nan 0.000 0.478 560 P HA -0.150 nan 4.420 nan 0.000 0.215 560 P C 1.109 178.415 177.300 0.009 0.000 1.157 560 P CA 1.755 64.864 63.100 0.015 0.000 0.868 560 P CB 0.323 32.015 31.700 -0.014 0.000 0.788 561 R N -0.948 119.574 120.500 0.037 0.000 2.339 561 R HA 0.089 4.429 4.340 0.000 0.000 0.199 561 R C 0.423 176.702 176.300 -0.034 0.000 1.018 561 R CA 0.196 56.297 56.100 0.001 0.000 1.036 561 R CB -0.538 29.771 30.300 0.015 0.000 0.899 561 R HN 0.280 nan 8.270 nan 0.000 0.473 562 L N 1.982 123.199 121.223 -0.009 0.000 2.302 562 L HA 0.147 4.487 4.340 0.000 0.000 0.285 562 L C 0.725 177.454 176.870 -0.234 0.000 1.090 562 L CA 0.061 54.849 54.840 -0.087 0.000 0.866 562 L CB 1.181 43.261 42.059 0.035 0.000 1.244 562 L HN 0.035 nan 8.230 nan 0.000 0.435 563 Q N 2.683 122.280 119.800 -0.339 0.000 2.222 563 Q HA 0.309 4.649 4.340 0.000 0.000 0.206 563 Q C 0.854 176.448 176.000 -0.677 0.000 0.877 563 Q CA 0.127 55.690 55.803 -0.400 0.000 0.958 563 Q CB 0.942 29.531 28.738 -0.248 0.000 1.075 563 Q HN 0.938 nan 8.270 nan 0.000 0.483 564 G N -0.387 107.651 108.800 -1.271 0.000 2.337 564 G HA2 0.170 4.130 3.960 0.000 0.000 0.197 564 G HA3 0.170 4.130 3.960 0.000 0.000 0.197 564 G C -0.436 173.680 174.900 -1.308 0.000 1.238 564 G CA -0.738 43.297 45.100 -1.775 0.000 1.119 564 G HN 0.524 nan 8.290 nan 0.000 0.514 565 G N -2.165 106.123 108.800 -0.853 0.000 2.342 565 G HA2 0.651 4.611 3.960 0.000 0.000 0.297 565 G HA3 0.651 4.611 3.960 0.000 0.000 0.297 565 G C -1.935 172.866 174.900 -0.166 0.000 1.313 565 G CA -0.351 44.464 45.100 -0.474 0.000 0.830 565 G HN 1.124 nan 8.290 nan 0.000 0.506 566 F N 0.613 120.794 119.950 0.385 0.000 2.460 566 F HA 0.533 5.060 4.527 0.000 0.000 0.341 566 F C 0.725 176.817 175.800 0.488 0.000 1.130 566 F CA -0.754 57.501 58.000 0.426 0.000 0.962 566 F CB 2.116 41.268 39.000 0.254 0.000 1.171 566 F HN 0.260 nan 8.300 nan 0.000 0.436 567 V N 3.081 123.307 119.914 0.519 0.000 2.963 567 V HA -0.091 4.029 4.120 0.000 0.000 0.306 567 V C -0.320 175.954 176.094 0.300 0.000 1.077 567 V CA -0.334 62.088 62.300 0.203 0.000 1.124 567 V CB 0.944 32.865 31.823 0.165 0.000 0.987 567 V HN 0.779 nan 8.190 nan 0.000 0.487 568 W N 5.993 127.369 121.300 0.126 0.000 2.336 568 W HA 0.468 5.128 4.660 0.000 0.000 0.315 568 W C -1.048 175.490 176.519 0.031 0.000 1.016 568 W CA -0.686 56.765 57.345 0.176 0.000 1.318 568 W CB 1.430 31.138 29.460 0.413 0.000 1.247 568 W HN 0.916 nan 8.180 nan 0.000 0.414 569 D N 2.648 122.719 120.400 -0.547 0.000 2.812 569 D HA 0.123 4.763 4.640 0.000 0.000 0.318 569 D C 0.676 176.761 176.300 -0.358 0.000 1.234 569 D CA -0.558 53.013 54.000 -0.716 0.000 0.989 569 D CB 0.283 40.127 40.800 -1.594 0.000 1.442 569 D HN 0.411 nan 8.370 nan 0.000 0.537 570 W N 0.570 121.563 121.300 -0.512 0.000 2.381 570 W HA 0.080 4.740 4.660 0.000 0.000 0.321 570 W C -0.124 176.168 176.519 -0.377 0.000 1.196 570 W CA 1.360 58.459 57.345 -0.411 0.000 1.304 570 W CB 0.196 29.443 29.460 -0.354 0.000 1.166 570 W HN 0.224 nan 8.180 nan 0.000 0.473 571 V N 0.804 120.525 119.914 -0.320 0.000 2.715 571 V HA 0.295 4.415 4.120 0.000 0.000 0.310 571 V C -0.537 175.359 176.094 -0.330 0.000 1.054 571 V CA -1.125 60.917 62.300 -0.430 0.000 0.928 571 V CB 1.321 33.013 31.823 -0.218 0.000 1.007 571 V HN -0.125 nan 8.190 nan 0.000 0.437 572 D N 2.059 122.269 120.400 -0.317 0.000 2.455 572 D HA 0.129 4.769 4.640 0.000 0.000 0.241 572 D C 0.193 176.344 176.300 -0.248 0.000 1.138 572 D CA 0.535 54.403 54.000 -0.221 0.000 0.877 572 D CB 1.061 41.816 40.800 -0.076 0.000 1.187 572 D HN 0.651 nan 8.370 nan 0.000 0.451 573 Q N 1.165 120.771 119.800 -0.323 0.000 3.135 573 Q HA 0.162 4.502 4.340 0.000 0.000 0.344 573 Q C -0.367 175.629 176.000 -0.005 0.000 1.321 573 Q CA -0.374 55.070 55.803 -0.598 0.000 1.050 573 Q CB 0.199 28.635 28.738 -0.504 0.000 1.498 573 Q HN 0.350 nan 8.270 nan 0.000 0.503 574 S N -0.068 115.731 115.700 0.164 0.000 2.565 574 S HA 0.669 5.139 4.470 0.000 0.000 0.290 574 S C -0.227 174.557 174.600 0.307 0.000 1.150 574 S CA -0.821 57.573 58.200 0.323 0.000 1.058 574 S CB 1.611 64.971 63.200 0.266 0.000 1.032 574 S HN 0.328 nan 8.310 nan 0.000 0.510 575 L N 1.795 123.132 121.223 0.190 0.000 2.334 575 L HA 0.573 4.913 4.340 0.000 0.000 0.273 575 L C -0.378 176.418 176.870 -0.123 0.000 1.013 575 L CA -1.065 53.754 54.840 -0.035 0.000 0.816 575 L CB 1.547 43.455 42.059 -0.253 0.000 1.278 575 L HN 0.645 nan 8.230 nan 0.000 0.431 576 I N 2.273 122.711 120.570 -0.219 0.000 2.474 576 I HA 0.200 4.370 4.170 0.000 0.000 0.287 576 I C 0.071 175.835 176.117 -0.588 0.000 1.048 576 I CA 0.199 61.252 61.300 -0.412 0.000 1.383 576 I CB 0.736 38.509 38.000 -0.379 0.000 1.412 576 I HN 0.525 nan 8.210 nan 0.000 0.531 577 K N 4.797 124.564 120.400 -1.055 0.000 2.433 577 K HA 0.585 4.905 4.320 0.000 0.000 0.252 577 K C -1.745 174.089 176.600 -1.276 0.000 1.015 577 K CA -0.865 54.729 56.287 -1.155 0.000 0.860 577 K CB 2.345 33.860 32.500 -1.641 0.000 1.359 577 K HN 0.249 nan 8.250 nan 0.000 0.452 578 Y N 0.401 120.457 120.300 -0.406 0.000 2.499 578 Y HA 0.184 4.734 4.550 0.000 0.000 0.347 578 Y C -0.152 175.862 175.900 0.189 0.000 0.987 578 Y CA -1.226 56.831 58.100 -0.072 0.000 1.044 578 Y CB 1.356 39.789 38.460 -0.046 0.000 1.245 578 Y HN 0.630 nan 8.280 nan 0.000 0.461 579 D N -0.270 120.394 120.400 0.441 0.000 2.340 579 D HA 0.163 4.803 4.640 0.000 0.000 0.251 579 D C 0.481 176.895 176.300 0.189 0.000 1.080 579 D CA -0.659 53.520 54.000 0.298 0.000 0.971 579 D CB 0.988 41.900 40.800 0.186 0.000 1.137 579 D HN 0.562 nan 8.370 nan 0.000 0.475 580 E N 0.439 120.708 120.200 0.114 0.000 2.253 580 E HA -0.249 4.101 4.350 0.000 0.000 0.202 580 E C 0.661 177.295 176.600 0.057 0.000 1.014 580 E CA 1.401 57.840 56.400 0.066 0.000 0.823 580 E CB -0.613 29.110 29.700 0.037 0.000 0.736 580 E HN 0.432 nan 8.360 nan 0.000 0.478 581 N N 0.267 119.010 118.700 0.073 0.000 2.370 581 N HA 0.109 4.849 4.740 0.000 0.000 0.198 581 N C 0.702 176.258 175.510 0.076 0.000 1.156 581 N CA 0.818 53.904 53.050 0.061 0.000 0.839 581 N CB 0.744 39.263 38.487 0.053 0.000 0.989 581 N HN 0.346 nan 8.380 nan 0.000 0.468 582 G N 1.063 109.925 108.800 0.103 0.000 2.221 582 G HA2 -0.262 3.698 3.960 0.000 0.000 0.265 582 G HA3 -0.262 3.698 3.960 0.000 0.000 0.265 582 G C -0.397 174.658 174.900 0.259 0.000 1.041 582 G CA -0.307 44.857 45.100 0.107 0.000 0.807 582 G HN 0.272 nan 8.290 nan 0.000 0.502 583 N N 1.168 120.041 118.700 0.289 0.000 2.438 583 N HA 0.514 5.254 4.740 0.000 0.000 0.282 583 N C -2.528 173.143 175.510 0.267 0.000 1.037 583 N CA -1.418 51.790 53.050 0.263 0.000 0.942 583 N CB 2.171 40.762 38.487 0.173 0.000 1.136 583 N HN 0.145 nan 8.380 nan 0.000 0.481 584 P HA 0.361 nan 4.420 nan 0.000 0.288 584 P C -0.568 176.671 177.300 -0.102 0.000 1.267 584 P CA -0.451 62.413 63.100 -0.393 0.000 0.815 584 P CB 0.841 32.297 31.700 -0.407 0.000 0.989 585 W N -0.282 120.748 121.300 -0.451 0.000 3.083 585 W HA 0.472 5.132 4.660 0.000 0.000 0.333 585 W C -1.413 174.918 176.519 -0.313 0.000 1.217 585 W CA -1.125 55.977 57.345 -0.405 0.000 1.170 585 W CB 0.444 29.462 29.460 -0.737 0.000 1.437 585 W HN 0.096 nan 8.180 nan 0.000 0.557 586 S N 1.495 117.286 115.700 0.151 0.000 2.474 586 S HA 0.556 5.026 4.470 0.000 0.000 0.276 586 S C 0.125 174.917 174.600 0.321 0.000 1.227 586 S CA -0.210 58.077 58.200 0.145 0.000 1.050 586 S CB 0.669 63.996 63.200 0.212 0.000 0.939 586 S HN 0.589 nan 8.310 nan 0.000 0.490 587 A N 3.262 126.128 122.820 0.077 0.000 2.340 587 A HA 0.867 5.187 4.320 0.000 0.000 0.331 587 A C -0.742 177.119 177.584 0.463 0.000 1.140 587 A CA -0.725 51.392 52.037 0.134 0.000 0.801 587 A CB 0.669 19.472 19.000 -0.329 0.000 1.234 587 A HN 0.840 nan 8.150 nan 0.000 0.469 588 Y N -0.555 120.080 120.300 0.559 0.000 2.857 588 Y HA 0.771 5.321 4.550 0.000 0.000 0.318 588 Y C 0.600 176.850 175.900 0.582 0.000 1.313 588 Y CA -1.432 56.977 58.100 0.515 0.000 1.117 588 Y CB 0.016 38.601 38.460 0.209 0.000 1.344 588 Y HN 0.945 nan 8.280 nan 0.000 0.525 589 G N 0.004 109.163 108.800 0.598 0.000 2.224 589 G HA2 0.360 4.320 3.960 0.000 0.000 0.239 589 G HA3 0.360 4.320 3.960 0.000 0.000 0.239 589 G C 0.984 176.211 174.900 0.543 0.000 1.240 589 G CA 0.489 45.876 45.100 0.479 0.000 0.896 589 G HN 2.020 nan 8.290 nan 0.000 0.496 590 G N 2.185 111.276 108.800 0.485 0.000 2.225 590 G HA2 -0.286 3.674 3.960 0.000 0.000 0.254 590 G HA3 -0.286 3.674 3.960 0.000 0.000 0.254 590 G C 0.914 176.019 174.900 0.341 0.000 0.988 590 G CA 0.712 46.036 45.100 0.374 0.000 0.625 590 G HN 0.655 nan 8.290 nan 0.000 0.527 591 D N -0.282 120.344 120.400 0.377 0.000 2.371 591 D HA 0.142 4.783 4.640 0.000 0.000 0.221 591 D C 1.316 177.498 176.300 -0.197 0.000 0.986 591 D CA 0.546 54.602 54.000 0.094 0.000 0.899 591 D CB -0.189 40.608 40.800 -0.006 0.000 0.902 591 D HN 0.480 nan 8.370 nan 0.000 0.530 592 F N -1.019 119.052 119.950 0.203 0.000 2.683 592 F HA 0.313 4.840 4.527 0.000 0.000 0.306 592 F C 1.772 177.655 175.800 0.140 0.000 1.102 592 F CA -0.173 57.908 58.000 0.135 0.000 1.244 592 F CB 0.721 39.796 39.000 0.125 0.000 1.029 592 F HN -0.058 nan 8.300 nan 0.000 0.545 593 G N 0.546 109.512 108.800 0.276 0.000 2.159 593 G HA2 -0.277 3.683 3.960 0.000 0.000 0.256 593 G HA3 -0.277 3.683 3.960 0.000 0.000 0.256 593 G C -0.159 174.881 174.900 0.234 0.000 0.977 593 G CA 0.133 45.359 45.100 0.210 0.000 0.652 593 G HN 0.423 nan 8.290 nan 0.000 0.531 594 D N 0.749 121.339 120.400 0.317 0.000 2.450 594 D HA 0.406 5.046 4.640 0.000 0.000 0.247 594 D C -0.091 176.336 176.300 0.211 0.000 1.162 594 D CA 0.694 54.870 54.000 0.292 0.000 0.879 594 D CB 1.059 42.092 40.800 0.389 0.000 1.163 594 D HN 0.085 nan 8.370 nan 0.000 0.472 595 T N 2.843 117.493 114.554 0.160 0.000 2.971 595 T HA 0.452 4.802 4.350 0.000 0.000 0.304 595 T C -2.367 172.375 174.700 0.071 0.000 1.038 595 T CA -0.980 61.183 62.100 0.104 0.000 1.007 595 T CB 1.965 70.888 68.868 0.093 0.000 1.055 595 T HN 0.400 nan 8.240 nan 0.000 0.451 596 P HA 0.501 nan 4.420 nan 0.000 0.278 596 P C -1.094 176.193 177.300 -0.021 0.000 1.258 596 P CA -0.692 62.407 63.100 -0.001 0.000 0.811 596 P CB 0.846 32.518 31.700 -0.047 0.000 1.063 597 N N -0.546 118.149 118.700 -0.008 0.000 2.571 597 N HA 0.201 4.941 4.740 0.000 0.000 0.273 597 N C -1.015 174.471 175.510 -0.040 0.000 1.340 597 N CA -0.562 52.474 53.050 -0.023 0.000 0.789 597 N CB 1.638 40.205 38.487 0.133 0.000 1.514 597 N HN 0.231 nan 8.380 nan 0.000 0.499 598 D N -0.146 120.226 120.400 -0.047 0.000 2.593 598 D HA 0.124 4.765 4.640 0.000 0.000 0.241 598 D C 0.569 177.103 176.300 0.390 0.000 1.257 598 D CA -0.190 53.858 54.000 0.080 0.000 0.828 598 D CB 1.043 41.749 40.800 -0.156 0.000 1.049 598 D HN 0.649 nan 8.370 nan 0.000 0.490 599 R N 0.346 121.053 120.500 0.344 0.000 3.772 599 R HA -0.374 3.966 4.340 0.000 0.000 0.480 599 R C 0.991 177.284 176.300 -0.011 0.000 0.241 599 R CA 1.495 57.766 56.100 0.284 0.000 1.508 599 R CB -1.401 28.992 30.300 0.156 0.000 0.956 599 R HN 0.012 nan 8.270 nan 0.000 0.583 600 Q N 0.638 120.123 119.800 -0.525 0.000 2.437 600 Q HA 0.095 4.435 4.340 0.000 0.000 0.210 600 Q C 1.832 177.536 176.000 -0.493 0.000 0.972 600 Q CA 1.749 57.080 55.803 -0.787 0.000 0.903 600 Q CB -0.250 27.900 28.738 -0.979 0.000 0.967 600 Q HN 0.458 nan 8.270 nan 0.000 0.486 601 F N 0.506 120.343 119.950 -0.188 0.000 2.323 601 F HA -0.246 4.281 4.527 0.000 0.000 0.301 601 F C 1.908 177.640 175.800 -0.114 0.000 1.060 601 F CA 1.011 58.991 58.000 -0.034 0.000 1.398 601 F CB -0.459 38.598 39.000 0.094 0.000 1.075 601 F HN 0.338 nan 8.300 nan 0.000 0.540 602 C N -1.573 117.446 119.300 -0.469 0.000 2.562 602 C HA 0.232 4.692 4.460 0.000 0.000 0.266 602 C C 0.993 175.788 174.990 -0.325 0.000 1.382 602 C CA -0.531 58.061 59.018 -0.710 0.000 1.742 602 C CB -1.622 25.156 27.740 -1.604 0.000 1.812 602 C HN 0.200 nan 8.230 nan 0.000 0.559 603 M N 2.949 122.400 119.600 -0.247 0.000 2.060 603 M HA 0.346 4.826 4.480 0.000 0.000 0.342 603 M C -0.527 175.666 176.300 -0.179 0.000 1.031 603 M CA 0.216 55.408 55.300 -0.181 0.000 0.981 603 M CB 0.545 33.069 32.600 -0.126 0.000 1.376 603 M HN 0.179 nan 8.290 nan 0.000 0.397 604 N N 1.530 120.121 118.700 -0.181 0.000 2.307 604 N HA 0.195 4.935 4.740 0.000 0.000 0.248 604 N C 0.120 175.435 175.510 -0.324 0.000 1.322 604 N CA -0.099 52.809 53.050 -0.236 0.000 0.861 604 N CB 1.394 39.826 38.487 -0.090 0.000 1.303 604 N HN 0.705 nan 8.380 nan 0.000 0.498 605 G N -0.251 108.320 108.800 -0.382 0.000 2.502 605 G HA2 0.485 4.445 3.960 0.000 0.000 0.305 605 G HA3 0.485 4.445 3.960 0.000 0.000 0.305 605 G C 0.819 175.287 174.900 -0.720 0.000 1.190 605 G CA -0.498 44.282 45.100 -0.533 0.000 0.933 605 G HN 0.115 nan 8.290 nan 0.000 0.503 606 L N -0.313 120.490 121.223 -0.699 0.000 2.509 606 L HA 0.162 4.502 4.340 0.000 0.000 0.222 606 L C 0.683 176.956 176.870 -0.994 0.000 1.123 606 L CA 0.238 54.669 54.840 -0.681 0.000 0.856 606 L CB -0.103 41.701 42.059 -0.425 0.000 0.985 606 L HN 0.376 nan 8.230 nan 0.000 0.456 607 V N -5.065 114.146 119.914 -1.170 0.000 2.962 607 V HA 0.470 4.590 4.120 0.000 0.000 0.313 607 V C -0.371 175.234 176.094 -0.814 0.000 1.099 607 V CA -1.219 60.494 62.300 -0.979 0.000 0.971 607 V CB 1.681 32.978 31.823 -0.876 0.000 1.028 607 V HN -0.132 nan 8.190 nan 0.000 0.430 608 F N 1.675 121.453 119.950 -0.287 0.000 2.444 608 F HA 0.531 5.058 4.527 0.000 0.000 0.331 608 F C 1.973 177.682 175.800 -0.152 0.000 1.167 608 F CA 0.510 58.469 58.000 -0.068 0.000 1.262 608 F CB 1.251 40.255 39.000 0.006 0.000 1.196 608 F HN 0.818 nan 8.300 nan 0.000 0.583 609 A N 1.082 123.990 122.820 0.147 0.000 2.042 609 A HA -0.286 4.034 4.320 0.000 0.000 0.222 609 A C 1.531 179.091 177.584 -0.041 0.000 1.167 609 A CA 2.148 54.214 52.037 0.047 0.000 0.649 609 A CB -1.117 17.950 19.000 0.112 0.000 0.809 609 A HN 0.849 nan 8.150 nan 0.000 0.457 610 D N -3.267 117.128 120.400 -0.008 0.000 2.340 610 D HA 0.202 4.842 4.640 0.000 0.000 0.220 610 D C 0.607 176.886 176.300 -0.034 0.000 1.039 610 D CA -0.018 53.950 54.000 -0.053 0.000 0.866 610 D CB -0.059 40.713 40.800 -0.047 0.000 0.913 610 D HN 0.208 nan 8.370 nan 0.000 0.523 611 R N -1.000 119.473 120.500 -0.045 0.000 3.774 611 R HA -0.123 4.217 4.340 0.000 0.000 0.320 611 R C -0.503 175.779 176.300 -0.030 0.000 1.175 611 R CA 1.138 57.193 56.100 -0.076 0.000 0.849 611 R CB -3.278 27.012 30.300 -0.017 0.000 1.365 611 R HN 0.566 nan 8.270 nan 0.000 0.502 612 T N -2.539 112.047 114.554 0.054 0.000 2.824 612 T HA 0.724 5.075 4.350 0.000 0.000 0.280 612 T C -2.570 172.255 174.700 0.209 0.000 0.995 612 T CA -2.464 59.711 62.100 0.124 0.000 1.009 612 T CB 2.535 71.472 68.868 0.115 0.000 0.955 612 T HN -0.207 nan 8.240 nan 0.000 0.452 613 P HA 0.165 nan 4.420 nan 0.000 0.268 613 P C -0.155 177.188 177.300 0.072 0.000 1.204 613 P CA -0.094 62.995 63.100 -0.019 0.000 0.768 613 P CB 0.158 31.858 31.700 -0.001 0.000 0.842 614 H N 3.793 122.667 119.070 -0.326 0.000 2.505 614 H HA 0.132 4.688 4.556 0.000 0.000 0.355 614 H C -1.169 174.057 175.328 -0.169 0.000 1.179 614 H CA -2.017 53.827 56.048 -0.341 0.000 1.343 614 H CB 0.705 30.229 29.762 -0.396 0.000 1.501 614 H HN 0.325 nan 8.280 nan 0.000 0.569 615 P HA -0.124 nan 4.420 nan 0.000 0.220 615 P C 1.166 178.462 177.300 -0.006 0.000 1.148 615 P CA 1.123 64.212 63.100 -0.018 0.000 0.803 615 P CB -0.016 31.664 31.700 -0.033 0.000 0.782 616 A N -0.032 122.786 122.820 -0.004 0.000 2.024 616 A HA -0.188 4.132 4.320 0.000 0.000 0.220 616 A C 2.092 179.624 177.584 -0.087 0.000 1.164 616 A CA 1.322 53.322 52.037 -0.061 0.000 0.643 616 A CB -1.647 17.294 19.000 -0.099 0.000 0.806 616 A HN 0.186 nan 8.150 nan 0.000 0.451 617 L N -0.105 121.085 121.223 -0.055 0.000 2.127 617 L HA -0.141 4.200 4.340 0.000 0.000 0.211 617 L C 2.352 179.253 176.870 0.053 0.000 1.089 617 L CA 2.654 57.489 54.840 -0.008 0.000 0.757 617 L CB -0.774 41.278 42.059 -0.012 0.000 0.899 617 L HN 0.387 nan 8.230 nan 0.000 0.434 618 T N -1.354 113.238 114.554 0.063 0.000 2.904 618 T HA -0.159 4.191 4.350 0.000 0.000 0.267 618 T C 1.692 176.486 174.700 0.157 0.000 1.059 618 T CA 1.268 63.460 62.100 0.152 0.000 1.137 618 T CB -0.118 68.829 68.868 0.132 0.000 0.879 618 T HN 0.346 nan 8.240 nan 0.000 0.467 619 E N 1.677 121.914 120.200 0.062 0.000 2.077 619 E HA -0.020 4.330 4.350 0.000 0.000 0.193 619 E C 2.268 178.872 176.600 0.008 0.000 0.989 619 E CA 1.257 57.697 56.400 0.066 0.000 0.800 619 E CB -0.524 29.186 29.700 0.016 0.000 0.746 619 E HN 0.428 nan 8.360 nan 0.000 0.452 620 A N 1.021 123.740 122.820 -0.169 0.000 1.902 620 A HA -0.244 4.076 4.320 0.000 0.000 0.217 620 A C 2.171 179.647 177.584 -0.181 0.000 1.181 620 A CA 1.980 53.883 52.037 -0.224 0.000 0.623 620 A CB -0.651 18.204 19.000 -0.243 0.000 0.818 620 A HN 0.275 nan 8.150 nan 0.000 0.443 621 K N -1.311 119.051 120.400 -0.063 0.000 2.063 621 K HA -0.275 4.045 4.320 0.000 0.000 0.208 621 K C 2.067 178.561 176.600 -0.176 0.000 1.048 621 K CA 1.942 58.197 56.287 -0.053 0.000 0.928 621 K CB -0.325 32.282 32.500 0.177 0.000 0.713 621 K HN 0.643 nan 8.250 nan 0.000 0.442 622 H N 0.471 119.349 119.070 -0.321 0.000 2.299 622 H HA -0.008 4.549 4.556 0.000 0.000 0.302 622 H C 1.969 177.013 175.328 -0.474 0.000 1.078 622 H CA 1.728 57.401 56.048 -0.626 0.000 1.323 622 H CB -0.005 29.387 29.762 -0.617 0.000 1.381 622 H HN 0.206 nan 8.280 nan 0.000 0.498 623 Q N 0.336 119.841 119.800 -0.493 0.000 2.226 623 Q HA -0.120 4.220 4.340 0.000 0.000 0.204 623 Q C 1.633 177.098 176.000 -0.892 0.000 0.975 623 Q CA 1.346 56.787 55.803 -0.602 0.000 0.866 623 Q CB -0.053 28.476 28.738 -0.350 0.000 0.915 623 Q HN 0.718 nan 8.270 nan 0.000 0.440 624 Q N 0.884 120.136 119.800 -0.913 0.000 2.320 624 Q HA 0.027 4.367 4.340 0.000 0.000 0.201 624 Q C 0.181 175.629 176.000 -0.921 0.000 0.910 624 Q CA -0.267 54.852 55.803 -1.140 0.000 0.946 624 Q CB 0.192 28.286 28.738 -1.073 0.000 1.062 624 Q HN 0.425 nan 8.270 nan 0.000 0.503 625 Q N -0.534 118.867 119.800 -0.665 0.000 2.428 625 Q HA -0.031 4.309 4.340 0.000 0.000 0.276 625 Q C -0.354 175.292 176.000 -0.591 0.000 1.059 625 Q CA 0.265 55.789 55.803 -0.465 0.000 0.923 625 Q CB 0.411 29.015 28.738 -0.223 0.000 1.283 625 Q HN 0.177 nan 8.270 nan 0.000 0.447 626 F N 0.367 120.069 119.950 -0.414 0.000 2.797 626 F HA 0.289 4.816 4.527 0.000 0.000 0.302 626 F C -0.235 175.004 175.800 -0.935 0.000 1.130 626 F CA -0.064 57.464 58.000 -0.787 0.000 1.387 626 F CB 0.372 38.557 39.000 -1.359 0.000 1.107 626 F HN 0.347 nan 8.300 nan 0.000 0.577 627 F N 0.180 120.056 119.950 -0.123 0.000 2.520 627 F HA 0.481 5.008 4.527 0.000 0.000 0.322 627 F C -0.095 175.390 175.800 -0.526 0.000 1.103 627 F CA -1.045 56.789 58.000 -0.277 0.000 0.926 627 F CB 1.347 40.198 39.000 -0.248 0.000 1.154 627 F HN -0.319 nan 8.300 nan 0.000 0.453 628 Q N 3.049 122.599 119.800 -0.417 0.000 2.377 628 Q HA 0.552 4.892 4.340 0.000 0.000 0.271 628 Q C -1.457 174.198 176.000 -0.576 0.000 1.077 628 Q CA -0.703 54.850 55.803 -0.416 0.000 0.820 628 Q CB 3.152 31.793 28.738 -0.161 0.000 1.347 628 Q HN 0.552 nan 8.270 nan 0.000 0.444 629 F N 0.224 120.299 119.950 0.209 0.000 2.546 629 F HA 0.598 5.125 4.527 0.000 0.000 0.320 629 F C 0.391 176.419 175.800 0.379 0.000 1.076 629 F CA -0.841 57.352 58.000 0.321 0.000 0.928 629 F CB 2.124 41.422 39.000 0.497 0.000 1.189 629 F HN 0.123 nan 8.300 nan 0.000 0.465 630 R N 1.731 122.537 120.500 0.510 0.000 2.686 630 R HA 0.655 4.995 4.340 0.000 0.000 0.283 630 R C -2.007 174.361 176.300 0.113 0.000 0.978 630 R CA -1.192 55.109 56.100 0.335 0.000 0.897 630 R CB 2.687 33.089 30.300 0.170 0.000 1.192 630 R HN 0.591 nan 8.270 nan 0.000 0.457 631 L N 1.343 122.503 121.223 -0.105 0.000 2.325 631 L HA 0.473 4.813 4.340 0.000 0.000 0.281 631 L C -1.026 175.687 176.870 -0.262 0.000 1.004 631 L CA 0.170 54.724 54.840 -0.476 0.000 0.823 631 L CB 1.959 43.281 42.059 -1.228 0.000 1.236 631 L HN 0.458 nan 8.230 nan 0.000 0.415 632 S N 3.715 119.291 115.700 -0.208 0.000 2.774 632 S HA 0.688 5.158 4.470 0.000 0.000 0.297 632 S C 0.407 174.922 174.600 -0.142 0.000 1.143 632 S CA 0.206 58.325 58.200 -0.135 0.000 1.090 632 S CB 0.378 63.533 63.200 -0.075 0.000 1.019 632 S HN 1.379 nan 8.310 nan 0.000 0.482 633 G N 4.198 112.911 108.800 -0.143 0.000 2.601 633 G HA2 -0.276 3.684 3.960 0.000 0.000 0.306 633 G HA3 -0.276 3.684 3.960 0.000 0.000 0.306 633 G C 0.389 175.187 174.900 -0.170 0.000 1.172 633 G CA 0.565 45.586 45.100 -0.132 0.000 0.966 633 G HN 0.623 nan 8.290 nan 0.000 0.542 634 Q N 1.130 120.836 119.800 -0.157 0.000 2.194 634 Q HA 0.214 4.554 4.340 0.000 0.000 0.214 634 Q C 0.060 175.938 176.000 -0.204 0.000 0.838 634 Q CA 0.639 56.330 55.803 -0.187 0.000 0.972 634 Q CB 1.057 29.704 28.738 -0.151 0.000 1.131 634 Q HN 0.554 nan 8.270 nan 0.000 0.498 635 T N 1.189 115.637 114.554 -0.178 0.000 2.767 635 T HA 0.518 4.868 4.350 0.000 0.000 0.284 635 T C 0.135 174.735 174.700 -0.166 0.000 0.973 635 T CA -0.289 61.722 62.100 -0.148 0.000 0.996 635 T CB 1.402 70.213 68.868 -0.094 0.000 0.927 635 T HN 0.020 nan 8.240 nan 0.000 0.456 636 I N 2.602 123.096 120.570 -0.128 0.000 2.359 636 I HA 0.311 4.481 4.170 0.000 0.000 0.294 636 I C 0.476 176.624 176.117 0.051 0.000 0.987 636 I CA -0.613 60.645 61.300 -0.070 0.000 1.225 636 I CB 1.432 39.421 38.000 -0.017 0.000 1.366 636 I HN 0.615 nan 8.210 nan 0.000 0.466 637 E N 6.579 126.839 120.200 0.101 0.000 2.133 637 E HA 0.434 4.784 4.350 0.000 0.000 0.274 637 E C -1.541 175.166 176.600 0.178 0.000 0.930 637 E CA -0.600 55.869 56.400 0.114 0.000 0.770 637 E CB 1.576 31.321 29.700 0.075 0.000 1.104 637 E HN 0.339 nan 8.360 nan 0.000 0.403 638 V N 4.079 124.078 119.914 0.143 0.000 2.427 638 V HA 0.347 4.467 4.120 0.000 0.000 0.286 638 V C 0.000 176.115 176.094 0.035 0.000 1.034 638 V CA -0.487 61.859 62.300 0.077 0.000 0.893 638 V CB 1.768 33.661 31.823 0.117 0.000 0.982 638 V HN 0.730 nan 8.190 nan 0.000 0.452 639 T N 3.141 117.676 114.554 -0.033 0.000 2.841 639 T HA 0.385 4.735 4.350 0.000 0.000 0.283 639 T C -0.233 174.476 174.700 0.014 0.000 1.000 639 T CA -0.321 61.777 62.100 -0.003 0.000 0.977 639 T CB 1.634 70.479 68.868 -0.038 0.000 0.979 639 T HN 0.688 nan 8.240 nan 0.000 0.446 640 S N 1.605 117.325 115.700 0.032 0.000 2.508 640 S HA 0.282 4.752 4.470 0.000 0.000 0.284 640 S C 0.503 175.008 174.600 -0.159 0.000 1.192 640 S CA -0.613 57.554 58.200 -0.054 0.000 1.070 640 S CB 0.646 63.890 63.200 0.075 0.000 1.004 640 S HN 0.710 nan 8.310 nan 0.000 0.493 641 E N 3.045 123.053 120.200 -0.319 0.000 2.496 641 E HA 0.118 4.468 4.350 0.000 0.000 0.200 641 E C -0.967 175.485 176.600 -0.247 0.000 1.016 641 E CA -0.098 56.153 56.400 -0.248 0.000 0.962 641 E CB 0.350 29.894 29.700 -0.260 0.000 1.071 641 E HN 0.659 nan 8.360 nan 0.000 0.457 642 Y N 0.355 120.553 120.300 -0.171 0.000 2.299 642 Y HA 0.111 4.661 4.550 0.000 0.000 0.326 642 Y C 1.356 177.099 175.900 -0.262 0.000 1.164 642 Y CA -0.275 57.697 58.100 -0.212 0.000 1.234 642 Y CB 0.989 39.301 38.460 -0.246 0.000 1.219 642 Y HN -0.002 nan 8.280 nan 0.000 0.497 643 L N 1.734 122.808 121.223 -0.249 0.000 2.463 643 L HA 0.060 4.400 4.340 0.000 0.000 0.219 643 L C 0.601 176.998 176.870 -0.788 0.000 1.088 643 L CA 0.686 55.127 54.840 -0.666 0.000 0.849 643 L CB 0.051 41.335 42.059 -1.292 0.000 1.012 643 L HN 0.663 nan 8.230 nan 0.000 0.468 644 F N -0.386 119.583 119.950 0.031 0.000 2.699 644 F HA 0.199 4.726 4.527 0.000 0.000 0.295 644 F C 1.289 177.071 175.800 -0.031 0.000 1.052 644 F CA -0.801 57.188 58.000 -0.017 0.000 1.239 644 F CB 0.332 39.299 39.000 -0.056 0.000 1.018 644 F HN -0.121 nan 8.300 nan 0.000 0.627 645 R N 0.091 120.624 120.500 0.056 0.000 2.573 645 R HA 0.464 4.804 4.340 0.000 0.000 0.272 645 R C -0.991 175.299 176.300 -0.017 0.000 1.009 645 R CA -0.672 55.405 56.100 -0.039 0.000 1.059 645 R CB 0.784 30.960 30.300 -0.207 0.000 1.112 645 R HN 0.073 nan 8.270 nan 0.000 0.517 646 H N 0.391 119.433 119.070 -0.045 0.000 2.482 646 H HA 0.160 4.716 4.556 0.000 0.000 0.344 646 H C -0.262 175.076 175.328 0.016 0.000 1.151 646 H CA -0.204 55.852 56.048 0.014 0.000 1.300 646 H CB 1.264 31.041 29.762 0.026 0.000 1.494 646 H HN 0.760 nan 8.280 nan 0.000 0.542 647 S N 2.462 118.018 115.700 -0.241 0.000 3.829 647 S HA -0.015 4.455 4.470 0.000 0.000 0.250 647 S C -0.086 174.606 174.600 0.154 0.000 1.263 647 S CA -0.236 57.996 58.200 0.055 0.000 0.955 647 S CB -0.662 62.581 63.200 0.072 0.000 1.611 647 S HN 0.727 nan 8.310 nan 0.000 0.483 648 D N 0.714 121.216 120.400 0.169 0.000 2.427 648 D HA 0.111 4.751 4.640 0.000 0.000 0.224 648 D C 0.224 176.584 176.300 0.100 0.000 1.157 648 D CA -0.460 53.643 54.000 0.171 0.000 0.828 648 D CB -0.247 40.649 40.800 0.160 0.000 0.974 648 D HN 0.484 nan 8.370 nan 0.000 0.498 649 N N 0.171 118.929 118.700 0.096 0.000 2.605 649 N HA 0.133 4.873 4.740 0.000 0.000 0.265 649 N C -1.629 173.938 175.510 0.095 0.000 1.625 649 N CA -0.151 52.945 53.050 0.077 0.000 0.862 649 N CB 0.278 38.798 38.487 0.054 0.000 1.415 649 N HN -0.024 nan 8.380 nan 0.000 0.513 650 E N 0.087 120.338 120.200 0.085 0.000 2.278 650 E HA 0.462 4.812 4.350 0.000 0.000 0.272 650 E C -1.717 174.914 176.600 0.052 0.000 0.890 650 E CA -0.597 55.840 56.400 0.061 0.000 0.770 650 E CB 1.957 31.660 29.700 0.006 0.000 1.212 650 E HN 0.085 nan 8.360 nan 0.000 0.415 651 L N 3.129 124.390 121.223 0.064 0.000 2.362 651 L HA 0.554 4.894 4.340 0.000 0.000 0.275 651 L C -1.509 175.447 176.870 0.143 0.000 0.998 651 L CA -0.925 53.985 54.840 0.117 0.000 0.820 651 L CB 1.633 43.788 42.059 0.159 0.000 1.270 651 L HN 0.594 nan 8.230 nan 0.000 0.415 652 L N 4.881 126.224 121.223 0.200 0.000 2.265 652 L HA 0.422 4.762 4.340 0.000 0.000 0.289 652 L C -0.598 176.500 176.870 0.380 0.000 1.033 652 L CA 0.140 55.129 54.840 0.248 0.000 0.814 652 L CB 0.387 42.585 42.059 0.231 0.000 1.203 652 L HN 0.547 nan 8.230 nan 0.000 0.423 653 H N 5.935 125.069 119.070 0.107 0.000 2.488 653 H HA 0.345 4.901 4.556 0.000 0.000 0.322 653 H C -1.084 174.326 175.328 0.136 0.000 1.078 653 H CA -0.713 55.359 56.048 0.041 0.000 1.260 653 H CB 0.926 30.679 29.762 -0.015 0.000 1.425 653 H HN 0.702 nan 8.280 nan 0.000 0.471 654 W N 3.667 125.033 121.300 0.109 0.000 2.850 654 W HA 0.593 5.253 4.660 0.000 0.000 0.349 654 W C -1.312 175.249 176.519 0.070 0.000 1.133 654 W CA -1.452 55.950 57.345 0.095 0.000 1.117 654 W CB 1.569 31.078 29.460 0.081 0.000 1.442 654 W HN 0.560 nan 8.180 nan 0.000 0.575 655 M N 1.467 121.420 119.600 0.588 0.000 2.389 655 M HA 0.518 4.998 4.480 0.000 0.000 0.291 655 M C -2.668 173.873 176.300 0.402 0.000 1.128 655 M CA -0.464 55.040 55.300 0.341 0.000 0.942 655 M CB 1.855 34.489 32.600 0.055 0.000 1.783 655 M HN 0.129 nan 8.290 nan 0.000 0.501 656 V N 3.160 123.294 119.914 0.367 0.000 2.459 656 V HA 1.024 5.144 4.120 0.000 0.000 0.295 656 V C -0.176 176.038 176.094 0.199 0.000 1.029 656 V CA 0.006 62.483 62.300 0.295 0.000 0.874 656 V CB 1.232 33.229 31.823 0.290 0.000 0.985 656 V HN 1.084 nan 8.190 nan 0.000 0.438 657 A N 4.487 127.434 122.820 0.212 0.000 2.515 657 A HA 0.879 5.199 4.320 0.000 0.000 0.298 657 A C -1.525 176.191 177.584 0.220 0.000 1.059 657 A CA -0.593 51.540 52.037 0.159 0.000 0.698 657 A CB 1.768 20.821 19.000 0.089 0.000 1.289 657 A HN 0.870 nan 8.150 nan 0.000 0.404 658 L N 1.493 122.810 121.223 0.158 0.000 2.295 658 L HA 0.581 4.921 4.340 0.000 0.000 0.281 658 L C -0.631 176.343 176.870 0.173 0.000 1.018 658 L CA 0.263 55.212 54.840 0.180 0.000 0.841 658 L CB 0.419 42.547 42.059 0.116 0.000 1.218 658 L HN 0.760 nan 8.230 nan 0.000 0.424 659 D N 4.476 125.047 120.400 0.285 0.000 2.751 659 D HA -0.198 4.442 4.640 0.000 0.000 0.233 659 D C 1.115 177.439 176.300 0.041 0.000 1.149 659 D CA 1.624 55.771 54.000 0.245 0.000 0.682 659 D CB -1.114 39.802 40.800 0.192 0.000 1.068 659 D HN 1.168 nan 8.370 nan 0.000 0.429 660 G N -1.378 107.404 108.800 -0.030 0.000 2.234 660 G HA2 -0.350 3.610 3.960 0.000 0.000 0.235 660 G HA3 -0.350 3.610 3.960 0.000 0.000 0.235 660 G C 0.211 175.032 174.900 -0.131 0.000 0.997 660 G CA 0.378 45.355 45.100 -0.206 0.000 0.623 660 G HN 0.450 nan 8.290 nan 0.000 0.514 661 K N 1.983 122.359 120.400 -0.040 0.000 2.211 661 K HA 0.588 4.908 4.320 0.000 0.000 0.275 661 K C -2.683 173.917 176.600 0.000 0.000 1.024 661 K CA -2.023 54.246 56.287 -0.030 0.000 0.887 661 K CB 1.922 34.416 32.500 -0.010 0.000 1.084 661 K HN 0.065 nan 8.250 nan 0.000 0.463 662 P HA 0.151 nan 4.420 nan 0.000 0.281 662 P C -0.258 177.050 177.300 0.013 0.000 1.252 662 P CA -0.214 62.883 63.100 -0.005 0.000 0.778 662 P CB 0.826 32.500 31.700 -0.043 0.000 0.895 663 L N 1.344 122.595 121.223 0.047 0.000 2.685 663 L HA 0.536 4.876 4.340 0.000 0.000 0.235 663 L C 0.812 177.720 176.870 0.063 0.000 1.070 663 L CA 0.202 55.075 54.840 0.055 0.000 0.888 663 L CB 0.213 42.321 42.059 0.081 0.000 1.203 663 L HN 0.346 nan 8.230 nan 0.000 0.499 664 A N -0.143 122.727 122.820 0.083 0.000 2.577 664 A HA 0.718 5.038 4.320 0.000 0.000 0.297 664 A C -0.965 176.558 177.584 -0.102 0.000 1.060 664 A CA -0.340 51.744 52.037 0.078 0.000 0.697 664 A CB 1.493 20.666 19.000 0.288 0.000 1.281 664 A HN -0.001 nan 8.150 nan 0.000 0.402 665 S N -0.282 115.131 115.700 -0.478 0.000 2.595 665 S HA 0.985 5.455 4.470 0.000 0.000 0.281 665 S C -0.076 173.661 174.600 -1.438 0.000 1.117 665 S CA -0.318 57.320 58.200 -0.938 0.000 0.873 665 S CB 2.015 64.920 63.200 -0.492 0.000 1.108 665 S HN 2.156 nan 8.310 nan 0.000 0.477 666 G N 0.033 107.702 108.800 -1.885 0.000 2.623 666 G HA2 0.633 4.593 3.960 0.000 0.000 0.290 666 G HA3 0.633 4.593 3.960 0.000 0.000 0.290 666 G C -2.223 172.160 174.900 -0.862 0.000 1.437 666 G CA -0.654 43.666 45.100 -1.300 0.000 0.798 666 G HN 0.608 nan 8.290 nan 0.000 0.488 667 E N -1.009 119.008 120.200 -0.306 0.000 2.292 667 E HA 0.626 4.976 4.350 0.000 0.000 0.272 667 E C -1.344 175.305 176.600 0.082 0.000 0.881 667 E CA -0.649 55.664 56.400 -0.145 0.000 0.754 667 E CB 3.066 32.621 29.700 -0.242 0.000 1.201 667 E HN 0.348 nan 8.360 nan 0.000 0.425 668 V N 3.812 123.824 119.914 0.164 0.000 2.808 668 V HA 0.464 4.584 4.120 0.000 0.000 0.308 668 V C -2.548 173.632 176.094 0.144 0.000 1.099 668 V CA -1.778 60.618 62.300 0.161 0.000 0.920 668 V CB 2.214 34.153 31.823 0.193 0.000 1.014 668 V HN 0.569 nan 8.190 nan 0.000 0.425 669 P HA 0.427 nan 4.420 nan 0.000 0.290 669 P C -0.883 176.469 177.300 0.087 0.000 1.276 669 P CA -0.376 62.782 63.100 0.097 0.000 0.808 669 P CB 1.130 32.882 31.700 0.086 0.000 0.966 670 L N 2.736 123.996 121.223 0.062 0.000 2.371 670 L HA 0.301 4.641 4.340 0.000 0.000 0.272 670 L C 0.438 177.347 176.870 0.065 0.000 1.124 670 L CA 0.371 55.230 54.840 0.032 0.000 0.816 670 L CB 0.398 42.415 42.059 -0.071 0.000 1.129 670 L HN 0.351 nan 8.230 nan 0.000 0.448 671 D N 2.270 122.709 120.400 0.065 0.000 2.517 671 D HA 0.355 4.995 4.640 0.000 0.000 0.263 671 D C -1.268 175.024 176.300 -0.014 0.000 1.233 671 D CA -0.089 53.985 54.000 0.123 0.000 0.849 671 D CB 0.903 41.821 40.800 0.197 0.000 1.261 671 D HN 0.084 nan 8.370 nan 0.000 0.516 672 V N 0.565 120.326 119.914 -0.256 0.000 2.540 672 V HA 0.901 5.021 4.120 0.000 0.000 0.302 672 V C 0.645 176.470 176.094 -0.448 0.000 1.035 672 V CA -1.362 60.830 62.300 -0.181 0.000 0.873 672 V CB 1.423 33.273 31.823 0.045 0.000 0.992 672 V HN 0.420 nan 8.190 nan 0.000 0.428 673 A N 5.652 128.381 122.820 -0.152 0.000 2.351 673 A HA 0.766 5.086 4.320 0.000 0.000 0.257 673 A C -2.341 175.255 177.584 0.020 0.000 1.087 673 A CA -1.623 50.425 52.037 0.017 0.000 0.798 673 A CB -0.068 19.012 19.000 0.132 0.000 1.033 673 A HN 0.719 nan 8.150 nan 0.000 0.488 674 P HA 0.030 nan 4.420 nan 0.000 0.261 674 P C -0.487 176.812 177.300 -0.002 0.000 1.183 674 P CA 0.662 63.778 63.100 0.026 0.000 0.761 674 P CB 0.363 32.061 31.700 -0.002 0.000 0.785 675 Q N -0.760 119.028 119.800 -0.019 0.000 2.460 675 Q HA -0.161 4.179 4.340 0.000 0.000 0.248 675 Q C 0.690 176.686 176.000 -0.006 0.000 0.847 675 Q CA 1.300 57.084 55.803 -0.031 0.000 1.214 675 Q CB -2.213 26.495 28.738 -0.051 0.000 1.523 675 Q HN 0.762 nan 8.270 nan 0.000 0.602 676 G N 0.267 109.076 108.800 0.015 0.000 2.705 676 G HA2 0.641 4.601 3.960 0.000 0.000 0.299 676 G HA3 0.641 4.601 3.960 0.000 0.000 0.299 676 G C -0.639 174.283 174.900 0.035 0.000 1.315 676 G CA -0.626 44.490 45.100 0.027 0.000 1.045 676 G HN -0.036 nan 8.290 nan 0.000 0.517 677 K N -0.540 119.884 120.400 0.040 0.000 2.328 677 K HA 0.498 4.818 4.320 0.000 0.000 0.246 677 K C -0.912 175.720 176.600 0.054 0.000 0.955 677 K CA -0.566 55.748 56.287 0.045 0.000 0.817 677 K CB 2.409 34.930 32.500 0.036 0.000 1.208 677 K HN 0.511 nan 8.250 nan 0.000 0.432 678 Q N 3.121 122.958 119.800 0.063 0.000 2.289 678 Q HA 0.359 4.699 4.340 0.000 0.000 0.270 678 Q C -1.664 174.377 176.000 0.067 0.000 1.038 678 Q CA -0.629 55.213 55.803 0.066 0.000 0.812 678 Q CB 1.355 30.136 28.738 0.072 0.000 1.300 678 Q HN 0.534 nan 8.270 nan 0.000 0.427 679 L N 5.220 126.474 121.223 0.052 0.000 2.282 679 L HA 0.546 4.886 4.340 0.000 0.000 0.288 679 L C -0.438 176.453 176.870 0.034 0.000 1.033 679 L CA -0.647 54.216 54.840 0.038 0.000 0.807 679 L CB 1.237 43.308 42.059 0.021 0.000 1.209 679 L HN 0.605 nan 8.230 nan 0.000 0.423 680 I N 3.174 123.759 120.570 0.025 0.000 2.382 680 I HA 0.228 4.398 4.170 0.000 0.000 0.286 680 I C -0.151 175.936 176.117 -0.049 0.000 1.002 680 I CA -0.680 60.625 61.300 0.008 0.000 1.135 680 I CB 1.898 39.920 38.000 0.037 0.000 1.288 680 I HN 0.485 nan 8.210 nan 0.000 0.448 681 E N 6.792 126.965 120.200 -0.046 0.000 2.180 681 E HA 0.356 4.706 4.350 0.000 0.000 0.283 681 E C -0.590 175.937 176.600 -0.122 0.000 1.061 681 E CA -0.289 56.066 56.400 -0.075 0.000 0.861 681 E CB 1.293 30.969 29.700 -0.041 0.000 1.056 681 E HN 0.474 nan 8.360 nan 0.000 0.407 682 L N 6.130 127.237 121.223 -0.193 0.000 2.326 682 L HA 0.296 4.636 4.340 0.000 0.000 0.278 682 L C -1.775 174.981 176.870 -0.189 0.000 1.092 682 L CA -1.824 52.838 54.840 -0.296 0.000 0.810 682 L CB 1.025 42.812 42.059 -0.453 0.000 1.153 682 L HN 0.244 nan 8.230 nan 0.000 0.439 683 P HA -0.021 nan 4.420 nan 0.000 0.270 683 P C -0.472 176.784 177.300 -0.074 0.000 1.223 683 P CA -0.294 62.775 63.100 -0.051 0.000 0.785 683 P CB 0.509 32.237 31.700 0.047 0.000 0.923 684 E N 0.820 121.001 120.200 -0.033 0.000 2.480 684 E HA 0.039 4.389 4.350 0.000 0.000 0.258 684 E C -0.251 176.339 176.600 -0.017 0.000 0.984 684 E CA 0.014 56.394 56.400 -0.034 0.000 0.930 684 E CB 0.144 29.833 29.700 -0.019 0.000 0.936 684 E HN 0.325 nan 8.360 nan 0.000 0.466 685 L N 6.448 127.648 121.223 -0.039 0.000 2.350 685 L HA 0.304 4.644 4.340 0.000 0.000 0.275 685 L C -1.868 175.009 176.870 0.012 0.000 1.099 685 L CA -2.113 52.719 54.840 -0.014 0.000 0.808 685 L CB 0.530 42.559 42.059 -0.050 0.000 1.149 685 L HN 0.424 nan 8.230 nan 0.000 0.442 686 P HA 0.054 nan 4.420 nan 0.000 0.268 686 P C -1.140 176.177 177.300 0.028 0.000 1.205 686 P CA -0.195 62.930 63.100 0.042 0.000 0.771 686 P CB 0.529 32.267 31.700 0.064 0.000 0.858 687 Q N 2.214 122.027 119.800 0.020 0.000 2.965 687 Q HA 0.265 4.605 4.340 0.000 0.000 0.288 687 Q C -2.070 173.940 176.000 0.017 0.000 0.974 687 Q CA -1.505 54.306 55.803 0.013 0.000 0.849 687 Q CB 0.410 29.149 28.738 0.002 0.000 1.280 687 Q HN 0.424 nan 8.270 nan 0.000 0.441 688 P HA -0.045 nan 4.420 nan 0.000 0.267 688 P C -0.013 177.300 177.300 0.022 0.000 1.201 688 P CA 0.151 63.267 63.100 0.027 0.000 0.775 688 P CB 1.239 32.961 31.700 0.037 0.000 0.854 689 E N -0.120 120.092 120.200 0.021 0.000 2.201 689 E HA 0.024 4.374 4.350 0.000 0.000 0.193 689 E C 0.471 177.085 176.600 0.023 0.000 0.957 689 E CA 0.379 56.791 56.400 0.019 0.000 0.858 689 E CB -0.322 29.388 29.700 0.017 0.000 0.816 689 E HN 0.525 nan 8.360 nan 0.000 0.475 690 S N 1.630 117.346 115.700 0.027 0.000 2.550 690 S HA 0.180 4.650 4.470 0.000 0.000 0.285 690 S C 0.409 175.032 174.600 0.038 0.000 1.326 690 S CA 0.017 58.236 58.200 0.033 0.000 1.037 690 S CB 0.663 63.884 63.200 0.035 0.000 0.838 690 S HN 0.275 nan 8.310 nan 0.000 0.519 691 A N 1.573 124.418 122.820 0.042 0.000 2.322 691 A HA 0.792 5.112 4.320 0.000 0.000 0.269 691 A C 0.888 178.510 177.584 0.062 0.000 1.094 691 A CA 0.210 52.275 52.037 0.047 0.000 0.807 691 A CB -0.052 18.977 19.000 0.048 0.000 1.047 691 A HN 1.881 nan 8.150 nan 0.000 0.487 692 G N -0.137 108.703 108.800 0.065 0.000 2.346 692 G HA2 0.305 4.265 3.960 0.000 0.000 0.294 692 G HA3 0.305 4.265 3.960 0.000 0.000 0.294 692 G C -1.285 173.663 174.900 0.079 0.000 1.294 692 G CA -0.856 44.301 45.100 0.095 0.000 0.962 692 G HN 0.858 nan 8.290 nan 0.000 0.508 693 Q N -0.631 119.249 119.800 0.134 0.000 2.307 693 Q HA 0.620 4.960 4.340 0.000 0.000 0.262 693 Q C -0.801 175.290 176.000 0.153 0.000 0.961 693 Q CA -0.761 55.083 55.803 0.069 0.000 0.882 693 Q CB 2.352 31.162 28.738 0.120 0.000 1.264 693 Q HN 0.513 nan 8.270 nan 0.000 0.446 694 L N 3.517 124.722 121.223 -0.030 0.000 2.275 694 L HA 0.499 4.839 4.340 0.000 0.000 0.288 694 L C -1.787 175.046 176.870 -0.061 0.000 1.046 694 L CA 0.058 54.931 54.840 0.055 0.000 0.805 694 L CB 0.498 42.561 42.059 0.006 0.000 1.193 694 L HN 0.569 nan 8.230 nan 0.000 0.426 695 W N 5.444 126.811 121.300 0.111 0.000 2.915 695 W HA 0.565 5.225 4.660 0.000 0.000 0.337 695 W C -1.117 175.509 176.519 0.179 0.000 1.102 695 W CA -0.679 56.755 57.345 0.148 0.000 1.224 695 W CB 1.726 31.299 29.460 0.188 0.000 1.416 695 W HN 0.292 nan 8.180 nan 0.000 0.503 696 L N 2.985 124.505 121.223 0.496 0.000 2.307 696 L HA 0.791 5.131 4.340 0.000 0.000 0.284 696 L C -0.370 176.805 176.870 0.507 0.000 1.023 696 L CA 0.176 55.282 54.840 0.443 0.000 0.810 696 L CB 1.352 43.618 42.059 0.345 0.000 1.231 696 L HN 0.340 nan 8.230 nan 0.000 0.423 697 T N 4.962 119.757 114.554 0.401 0.000 2.848 697 T HA 0.663 5.013 4.350 0.000 0.000 0.285 697 T C -0.830 174.047 174.700 0.294 0.000 0.995 697 T CA -0.430 61.852 62.100 0.303 0.000 0.970 697 T CB 1.577 70.561 68.868 0.194 0.000 0.976 697 T HN 0.601 nan 8.240 nan 0.000 0.441 698 V N 1.685 121.725 119.914 0.210 0.000 2.715 698 V HA 0.855 4.975 4.120 0.000 0.000 0.310 698 V C -0.631 175.519 176.094 0.094 0.000 1.054 698 V CA -1.127 61.266 62.300 0.154 0.000 0.928 698 V CB 1.858 33.696 31.823 0.025 0.000 1.007 698 V HN 0.795 nan 8.190 nan 0.000 0.437 699 R N 2.100 122.682 120.500 0.137 0.000 2.673 699 R HA 0.802 5.142 4.340 0.000 0.000 0.281 699 R C -1.629 174.750 176.300 0.131 0.000 0.991 699 R CA -0.666 55.522 56.100 0.147 0.000 0.896 699 R CB 2.684 33.018 30.300 0.056 0.000 1.201 699 R HN 0.712 nan 8.270 nan 0.000 0.457 700 V N 3.724 123.747 119.914 0.182 0.000 2.398 700 V HA 0.443 4.563 4.120 0.000 0.000 0.286 700 V C -0.425 175.713 176.094 0.073 0.000 1.026 700 V CA -0.618 61.762 62.300 0.134 0.000 0.868 700 V CB 1.717 33.647 31.823 0.177 0.000 0.982 700 V HN 0.437 nan 8.190 nan 0.000 0.443 701 V N 4.735 124.641 119.914 -0.013 0.000 2.628 701 V HA 0.444 4.564 4.120 0.000 0.000 0.306 701 V C -0.329 175.789 176.094 0.040 0.000 1.045 701 V CA -0.815 61.460 62.300 -0.042 0.000 0.905 701 V CB 1.984 33.672 31.823 -0.224 0.000 0.997 701 V HN 0.872 nan 8.190 nan 0.000 0.436 702 Q N 4.519 124.368 119.800 0.082 0.000 2.421 702 Q HA 0.272 4.612 4.340 0.000 0.000 0.242 702 Q C -1.782 174.244 176.000 0.043 0.000 1.024 702 Q CA -1.785 54.073 55.803 0.091 0.000 0.891 702 Q CB 1.876 30.690 28.738 0.126 0.000 1.222 702 Q HN 0.488 nan 8.270 nan 0.000 0.483 703 P HA -0.197 nan 4.420 nan 0.000 0.215 703 P C -0.581 176.724 177.300 0.009 0.000 1.157 703 P CA 1.350 64.467 63.100 0.029 0.000 0.868 703 P CB 0.319 32.044 31.700 0.041 0.000 0.788 704 N N -0.875 117.823 118.700 -0.003 0.000 2.456 704 N HA 0.459 5.199 4.740 0.000 0.000 0.296 704 N C -0.359 175.106 175.510 -0.074 0.000 1.102 704 N CA -0.709 52.324 53.050 -0.028 0.000 0.924 704 N CB 0.872 39.345 38.487 -0.023 0.000 1.186 704 N HN -0.020 nan 8.380 nan 0.000 0.492 705 A N 0.488 123.256 122.820 -0.088 0.000 2.346 705 A HA 0.544 4.864 4.320 0.000 0.000 0.252 705 A C 0.547 178.008 177.584 -0.204 0.000 1.089 705 A CA -0.073 51.873 52.037 -0.152 0.000 0.797 705 A CB 0.016 18.950 19.000 -0.110 0.000 1.047 705 A HN 0.737 nan 8.150 nan 0.000 0.494 706 T N -3.513 110.834 114.554 -0.343 0.000 2.742 706 T HA 0.627 4.977 4.350 0.000 0.000 0.282 706 T C 0.853 175.361 174.700 -0.320 0.000 1.025 706 T CA 0.071 61.937 62.100 -0.391 0.000 1.020 706 T CB 1.077 69.450 68.868 -0.826 0.000 1.317 706 T HN 1.353 nan 8.240 nan 0.000 0.538 707 A N -0.215 122.491 122.820 -0.189 0.000 2.119 707 A HA 0.161 4.481 4.320 0.000 0.000 0.217 707 A C 1.572 179.261 177.584 0.175 0.000 1.153 707 A CA 0.789 52.858 52.037 0.054 0.000 0.692 707 A CB -0.805 18.318 19.000 0.205 0.000 0.799 707 A HN 0.897 nan 8.150 nan 0.000 0.458 708 W N -0.761 120.590 121.300 0.085 0.000 2.714 708 W HA 0.412 5.072 4.660 0.000 0.000 0.353 708 W C -0.133 176.350 176.519 -0.060 0.000 0.999 708 W CA 0.458 57.817 57.345 0.023 0.000 1.629 708 W CB -1.004 28.464 29.460 0.013 0.000 1.106 708 W HN 0.395 nan 8.180 nan 0.000 0.545 709 S N 0.427 115.729 115.700 -0.664 0.000 2.556 709 S HA 0.443 4.913 4.470 0.000 0.000 0.271 709 S C -0.514 173.855 174.600 -0.385 0.000 1.135 709 S CA -0.704 57.118 58.200 -0.631 0.000 0.858 709 S CB 2.766 65.213 63.200 -1.256 0.000 1.114 709 S HN 0.101 nan 8.310 nan 0.000 0.468 710 E N 0.875 120.958 120.200 -0.195 0.000 2.322 710 E HA 0.572 4.922 4.350 0.000 0.000 0.257 710 E C 0.252 176.813 176.600 -0.065 0.000 1.155 710 E CA -0.885 55.459 56.400 -0.093 0.000 0.936 710 E CB 0.881 30.574 29.700 -0.012 0.000 1.130 710 E HN 0.874 nan 8.360 nan 0.000 0.465 711 A N -0.202 122.596 122.820 -0.037 0.000 2.425 711 A HA 0.451 4.771 4.320 0.000 0.000 0.249 711 A C 1.034 178.628 177.584 0.017 0.000 1.084 711 A CA 0.537 52.564 52.037 -0.017 0.000 0.781 711 A CB -0.234 18.757 19.000 -0.015 0.000 1.019 711 A HN 0.779 nan 8.150 nan 0.000 0.490 712 G N 0.340 109.156 108.800 0.026 0.000 2.136 712 G HA2 -0.233 3.727 3.960 0.000 0.000 0.242 712 G HA3 -0.233 3.727 3.960 0.000 0.000 0.242 712 G C 0.140 175.068 174.900 0.047 0.000 0.989 712 G CA 0.682 45.793 45.100 0.019 0.000 0.682 712 G HN 1.611 nan 8.290 nan 0.000 0.522 713 H N 0.448 119.510 119.070 -0.014 0.000 2.764 713 H HA 0.495 5.051 4.556 0.000 0.000 0.341 713 H C 0.505 175.877 175.328 0.072 0.000 1.072 713 H CA -0.431 55.636 56.048 0.030 0.000 1.444 713 H CB 0.314 30.084 29.762 0.013 0.000 1.458 713 H HN 0.050 nan 8.280 nan 0.000 0.572 714 I N 4.759 125.059 120.570 -0.450 0.000 2.325 714 I HA 0.012 4.182 4.170 0.000 0.000 0.291 714 I C 1.059 177.058 176.117 -0.196 0.000 1.019 714 I CA 0.152 61.325 61.300 -0.212 0.000 1.302 714 I CB 0.852 38.766 38.000 -0.143 0.000 1.401 714 I HN 0.839 nan 8.210 nan 0.000 0.485 715 S N 4.048 119.846 115.700 0.163 0.000 2.526 715 S HA 0.625 5.095 4.470 0.000 0.000 0.220 715 S C 0.498 175.365 174.600 0.447 0.000 1.017 715 S CA 0.059 58.482 58.200 0.372 0.000 0.930 715 S CB 0.722 64.249 63.200 0.546 0.000 0.856 715 S HN 0.721 nan 8.310 nan 0.000 0.497 716 A N 0.554 123.674 122.820 0.500 0.000 2.608 716 A HA 0.699 5.019 4.320 0.000 0.000 0.292 716 A C -1.788 176.176 177.584 0.632 0.000 1.066 716 A CA -0.915 51.407 52.037 0.475 0.000 0.676 716 A CB 0.442 19.765 19.000 0.539 0.000 1.277 716 A HN 0.914 nan 8.150 nan 0.000 0.413 717 W N -0.452 121.011 121.300 0.271 0.000 2.959 717 W HA 0.812 5.472 4.660 0.000 0.000 0.358 717 W C -1.155 175.391 176.519 0.046 0.000 1.228 717 W CA -0.634 56.752 57.345 0.069 0.000 1.183 717 W CB 1.167 30.610 29.460 -0.028 0.000 1.467 717 W HN 1.069 nan 8.180 nan 0.000 0.578 718 Q N 1.447 121.283 119.800 0.060 0.000 2.617 718 Q HA 0.334 4.674 4.340 0.000 0.000 0.270 718 Q C -1.759 174.013 176.000 -0.379 0.000 0.967 718 Q CA -0.591 55.064 55.803 -0.247 0.000 0.887 718 Q CB 2.150 30.569 28.738 -0.531 0.000 1.516 718 Q HN 0.670 nan 8.270 nan 0.000 0.395 719 Q N 2.541 122.054 119.800 -0.477 0.000 2.416 719 Q HA 0.726 5.067 4.340 0.000 0.000 0.281 719 Q C -1.460 174.396 176.000 -0.240 0.000 1.067 719 Q CA -0.591 55.100 55.803 -0.186 0.000 0.809 719 Q CB 1.743 30.564 28.738 0.137 0.000 1.418 719 Q HN 0.629 nan 8.270 nan 0.000 0.411 720 W N 2.002 123.494 121.300 0.320 0.000 3.032 720 W HA 0.463 5.124 4.660 0.000 0.000 0.335 720 W C -0.534 175.987 176.519 0.004 0.000 1.154 720 W CA -0.855 56.596 57.345 0.176 0.000 1.204 720 W CB 2.082 31.584 29.460 0.069 0.000 1.416 720 W HN 0.683 nan 8.180 nan 0.000 0.521 721 R N 2.261 122.644 120.500 -0.195 0.000 2.216 721 R HA 0.285 4.625 4.340 0.000 0.000 0.332 721 R C 0.744 176.831 176.300 -0.355 0.000 1.056 721 R CA -0.048 55.551 56.100 -0.836 0.000 0.901 721 R CB 0.556 30.160 30.300 -1.159 0.000 1.039 721 R HN 0.600 nan 8.270 nan 0.000 0.456 722 L N 2.963 124.015 121.223 -0.285 0.000 2.202 722 L HA 0.305 4.645 4.340 0.000 0.000 0.205 722 L C 0.718 177.493 176.870 -0.159 0.000 1.083 722 L CA 0.590 55.338 54.840 -0.153 0.000 0.790 722 L CB 0.062 42.073 42.059 -0.079 0.000 0.942 722 L HN 0.704 nan 8.230 nan 0.000 0.452 723 A N -0.465 122.239 122.820 -0.192 0.000 2.564 723 A HA 0.619 4.939 4.320 0.000 0.000 0.291 723 A C -1.537 175.959 177.584 -0.147 0.000 1.102 723 A CA -0.437 51.517 52.037 -0.138 0.000 0.660 723 A CB 1.711 20.663 19.000 -0.079 0.000 1.283 723 A HN 0.008 nan 8.150 nan 0.000 0.430 724 E N 0.541 120.685 120.200 -0.092 0.000 2.291 724 E HA 0.400 4.750 4.350 0.000 0.000 0.276 724 E C -1.769 174.815 176.600 -0.026 0.000 0.896 724 E CA -0.606 55.755 56.400 -0.064 0.000 0.774 724 E CB 1.227 30.882 29.700 -0.075 0.000 1.227 724 E HN 0.595 nan 8.360 nan 0.000 0.413 725 N N 5.093 123.791 118.700 -0.003 0.000 2.476 725 N HA 0.292 5.032 4.740 0.000 0.000 0.257 725 N C -0.449 175.073 175.510 0.019 0.000 0.970 725 N CA -0.360 52.695 53.050 0.008 0.000 0.938 725 N CB 1.330 39.826 38.487 0.015 0.000 1.144 725 N HN 0.496 nan 8.380 nan 0.000 0.500 726 L N 0.876 122.109 121.223 0.017 0.000 2.456 726 L HA 0.080 4.420 4.340 0.000 0.000 0.272 726 L C 1.219 178.108 176.870 0.032 0.000 1.189 726 L CA 0.184 55.040 54.840 0.026 0.000 0.846 726 L CB 0.588 42.661 42.059 0.022 0.000 1.111 726 L HN 0.381 nan 8.230 nan 0.000 0.475 727 S N 1.726 117.450 115.700 0.041 0.000 2.439 727 S HA 0.255 4.725 4.470 0.000 0.000 0.282 727 S C 0.344 174.966 174.600 0.037 0.000 1.170 727 S CA -0.900 57.325 58.200 0.041 0.000 1.054 727 S CB 0.605 63.835 63.200 0.050 0.000 0.956 727 S HN 0.421 nan 8.310 nan 0.000 0.490 728 V N 3.077 123.010 119.914 0.031 0.000 3.063 728 V HA 0.381 4.501 4.120 0.000 0.000 0.379 728 V C 0.530 176.641 176.094 0.028 0.000 1.310 728 V CA -0.292 62.025 62.300 0.028 0.000 1.333 728 V CB -1.041 30.795 31.823 0.023 0.000 1.331 728 V HN 0.821 nan 8.190 nan 0.000 0.527 729 T N -0.429 114.144 114.554 0.032 0.000 2.918 729 T HA 0.804 5.154 4.350 0.000 0.000 0.286 729 T C -0.621 174.098 174.700 0.031 0.000 1.026 729 T CA -0.735 61.383 62.100 0.030 0.000 1.031 729 T CB 2.083 70.968 68.868 0.029 0.000 1.046 729 T HN 0.271 nan 8.240 nan 0.000 0.479 730 L N 3.062 124.301 121.223 0.027 0.000 2.296 730 L HA 0.554 4.894 4.340 0.000 0.000 0.286 730 L C -1.887 174.997 176.870 0.023 0.000 1.023 730 L CA -1.945 52.910 54.840 0.025 0.000 0.812 730 L CB 0.520 42.592 42.059 0.021 0.000 1.223 730 L HN 0.577 nan 8.230 nan 0.000 0.421 731 P HA 0.331 nan 4.420 nan 0.000 0.271 731 P C -0.501 176.804 177.300 0.010 0.000 1.216 731 P CA -0.406 62.704 63.100 0.017 0.000 0.776 731 P CB 1.092 32.803 31.700 0.018 0.000 0.881 732 A N 2.498 125.320 122.820 0.003 0.000 2.313 732 A HA 0.563 4.883 4.320 0.000 0.000 0.261 732 A C 0.565 178.134 177.584 -0.025 0.000 1.090 732 A CA -0.173 51.864 52.037 -0.001 0.000 0.807 732 A CB -0.264 18.740 19.000 0.007 0.000 1.055 732 A HN 0.745 nan 8.150 nan 0.000 0.492 733 A N 0.824 123.635 122.820 -0.015 0.000 2.547 733 A HA 0.467 4.787 4.320 0.000 0.000 0.233 733 A C 0.837 178.322 177.584 -0.166 0.000 1.067 733 A CA 0.577 52.595 52.037 -0.032 0.000 0.763 733 A CB -0.521 18.504 19.000 0.042 0.000 1.007 733 A HN 1.671 nan 8.150 nan 0.000 0.506 734 S N 0.374 115.983 115.700 -0.151 0.000 2.638 734 S HA 0.572 5.042 4.470 0.000 0.000 0.298 734 S C 0.112 174.585 174.600 -0.212 0.000 1.111 734 S CA -0.718 57.336 58.200 -0.243 0.000 1.027 734 S CB 0.896 64.041 63.200 -0.092 0.000 1.064 734 S HN 0.662 nan 8.310 nan 0.000 0.525 735 H N -0.101 118.981 119.070 0.020 0.000 2.586 735 H HA 0.634 5.190 4.556 0.000 0.000 0.273 735 H C 0.492 175.828 175.328 0.014 0.000 0.997 735 H CA 0.463 56.520 56.048 0.015 0.000 1.177 735 H CB 0.065 29.834 29.762 0.013 0.000 1.471 735 H HN 0.802 nan 8.280 nan 0.000 0.538 736 A N 0.789 123.661 122.820 0.087 0.000 2.599 736 A HA 0.622 4.942 4.320 0.000 0.000 0.290 736 A C -0.911 176.699 177.584 0.043 0.000 1.101 736 A CA -0.754 51.322 52.037 0.066 0.000 0.674 736 A CB 1.328 20.369 19.000 0.069 0.000 1.277 736 A HN 0.192 nan 8.150 nan 0.000 0.419 737 I N -1.975 118.622 120.570 0.045 0.000 3.002 737 I HA 0.838 5.008 4.170 0.000 0.000 0.310 737 I C -2.867 173.291 176.117 0.069 0.000 1.087 737 I CA -2.755 58.569 61.300 0.040 0.000 1.017 737 I CB 2.108 40.123 38.000 0.024 0.000 1.226 737 I HN 0.346 nan 8.210 nan 0.000 0.443 738 P HA 0.086 nan 4.420 nan 0.000 0.271 738 P C -1.404 175.990 177.300 0.157 0.000 1.233 738 P CA 0.203 63.366 63.100 0.106 0.000 0.789 738 P CB 0.207 31.934 31.700 0.045 0.000 0.951 739 H N 1.465 120.567 119.070 0.053 0.000 2.539 739 H HA 0.388 4.944 4.556 0.000 0.000 0.332 739 H C -0.987 174.371 175.328 0.050 0.000 1.031 739 H CA -1.049 55.023 56.048 0.040 0.000 1.206 739 H CB 0.945 30.732 29.762 0.042 0.000 1.446 739 H HN 0.206 nan 8.280 nan 0.000 0.496 740 L N 4.242 125.341 121.223 -0.207 0.000 2.421 740 L HA 0.370 4.710 4.340 0.000 0.000 0.263 740 L C -0.600 176.079 176.870 -0.318 0.000 1.122 740 L CA 0.278 54.981 54.840 -0.228 0.000 0.804 740 L CB 1.655 43.644 42.059 -0.117 0.000 1.150 740 L HN 0.704 nan 8.230 nan 0.000 0.457 741 T N 2.290 116.766 114.554 -0.130 0.000 3.483 741 T HA 0.292 4.642 4.350 0.000 0.000 0.329 741 T C -0.943 173.814 174.700 0.094 0.000 1.014 741 T CA -0.434 61.634 62.100 -0.053 0.000 1.056 741 T CB 0.907 69.723 68.868 -0.087 0.000 1.090 741 T HN 0.714 nan 8.240 nan 0.000 0.460 742 T N 2.888 117.516 114.554 0.125 0.000 2.799 742 T HA 0.652 5.002 4.350 0.000 0.000 0.286 742 T C 0.294 175.053 174.700 0.098 0.000 0.973 742 T CA -0.391 61.836 62.100 0.211 0.000 1.035 742 T CB 1.410 70.421 68.868 0.239 0.000 0.932 742 T HN 0.569 nan 8.240 nan 0.000 0.469 743 S N 1.784 117.517 115.700 0.056 0.000 2.837 743 S HA 0.431 4.901 4.470 0.000 0.000 0.314 743 S C 0.917 175.494 174.600 -0.038 0.000 1.098 743 S CA -0.614 57.589 58.200 0.005 0.000 0.903 743 S CB 1.575 64.776 63.200 0.000 0.000 1.310 743 S HN 0.728 nan 8.310 nan 0.000 0.581 744 E N -0.613 119.558 120.200 -0.047 0.000 2.216 744 E HA 0.101 4.451 4.350 0.000 0.000 0.192 744 E C 1.535 178.065 176.600 -0.116 0.000 0.973 744 E CA 0.372 56.731 56.400 -0.068 0.000 0.851 744 E CB 0.017 29.694 29.700 -0.039 0.000 0.804 744 E HN 0.530 nan 8.360 nan 0.000 0.477 745 M N 1.009 120.550 119.600 -0.097 0.000 2.476 745 M HA 0.107 4.587 4.480 0.000 0.000 0.262 745 M C -0.174 176.045 176.300 -0.136 0.000 1.111 745 M CA 0.804 56.048 55.300 -0.092 0.000 1.127 745 M CB -0.523 32.054 32.600 -0.038 0.000 1.376 745 M HN 0.023 nan 8.290 nan 0.000 0.465 746 D N -1.714 118.584 120.400 -0.170 0.000 2.692 746 D HA 0.472 5.112 4.640 0.000 0.000 0.290 746 D C -1.062 175.129 176.300 -0.181 0.000 1.281 746 D CA -0.681 53.208 54.000 -0.185 0.000 0.804 746 D CB 0.701 41.502 40.800 0.003 0.000 1.331 746 D HN -0.056 nan 8.370 nan 0.000 0.432 750 E N 4.466 124.799 120.200 0.221 0.000 2.317 750 E HA 0.811 5.161 4.350 0.000 0.000 0.270 750 E C -1.876 174.893 176.600 0.280 0.000 0.885 750 E CA -0.728 55.814 56.400 0.238 0.000 0.760 750 E CB 3.258 33.026 29.700 0.114 0.000 1.227 750 E HN 0.531 nan 8.360 nan 0.000 0.434 751 L N 4.475 125.859 121.223 0.270 0.000 2.673 751 L HA 0.513 4.853 4.340 0.000 0.000 0.255 751 L C -0.102 176.849 176.870 0.135 0.000 1.015 751 L CA 0.740 55.719 54.840 0.231 0.000 0.930 751 L CB 0.795 43.041 42.059 0.311 0.000 1.185 751 L HN 0.802 nan 8.230 nan 0.000 0.457 752 G N 3.524 112.372 108.800 0.080 0.000 2.509 752 G HA2 -0.368 3.592 3.960 0.000 0.000 0.256 752 G HA3 -0.368 3.592 3.960 0.000 0.000 0.256 752 G C 0.554 175.452 174.900 -0.004 0.000 1.152 752 G CA 0.403 45.524 45.100 0.035 0.000 0.951 752 G HN 0.875 nan 8.290 nan 0.000 0.559 753 N N 1.191 119.873 118.700 -0.030 0.000 2.331 753 N HA 0.007 4.747 4.740 0.000 0.000 0.180 753 N C 0.839 176.284 175.510 -0.108 0.000 1.019 753 N CA 1.411 54.424 53.050 -0.062 0.000 0.881 753 N CB -0.206 38.246 38.487 -0.058 0.000 0.972 753 N HN 0.774 nan 8.380 nan 0.000 0.435 754 K N 0.598 120.908 120.400 -0.151 0.000 2.350 754 K HA 0.270 4.590 4.320 0.000 0.000 0.279 754 K C -0.113 176.265 176.600 -0.371 0.000 1.027 754 K CA 0.001 56.066 56.287 -0.370 0.000 0.969 754 K CB 1.036 33.237 32.500 -0.498 0.000 0.954 754 K HN 0.066 nan 8.250 nan 0.000 0.474 755 R N 1.861 122.066 120.500 -0.491 0.000 2.698 755 R HA 0.400 4.740 4.340 0.000 0.000 0.275 755 R C -1.557 174.649 176.300 -0.156 0.000 1.001 755 R CA -0.667 55.337 56.100 -0.159 0.000 0.896 755 R CB 1.484 31.747 30.300 -0.061 0.000 1.218 755 R HN 0.592 nan 8.270 nan 0.000 0.462 756 W N 2.841 124.252 121.300 0.184 0.000 2.883 756 W HA 0.329 4.989 4.660 0.000 0.000 0.335 756 W C -0.753 175.854 176.519 0.146 0.000 1.083 756 W CA -0.530 56.880 57.345 0.108 0.000 1.233 756 W CB 2.236 31.728 29.460 0.053 0.000 1.412 756 W HN 0.420 nan 8.180 nan 0.000 0.490 757 Q N 2.597 122.542 119.800 0.242 0.000 2.340 757 Q HA 0.488 4.828 4.340 0.000 0.000 0.268 757 Q C -1.995 173.948 176.000 -0.094 0.000 1.031 757 Q CA -0.516 55.414 55.803 0.212 0.000 0.804 757 Q CB 1.844 30.776 28.738 0.323 0.000 1.286 757 Q HN 0.368 nan 8.270 nan 0.000 0.448 758 F N 2.763 122.802 119.950 0.148 0.000 2.426 758 F HA 0.318 4.845 4.527 0.000 0.000 0.348 758 F C 0.611 176.426 175.800 0.025 0.000 1.124 758 F CA -0.789 57.265 58.000 0.089 0.000 1.008 758 F CB 1.373 40.453 39.000 0.132 0.000 1.139 758 F HN 0.510 nan 8.300 nan 0.000 0.452 759 N N 3.474 122.262 118.700 0.147 0.000 2.497 759 N HA 0.077 4.817 4.740 0.000 0.000 0.268 759 N C 0.925 176.428 175.510 -0.012 0.000 1.171 759 N CA 0.026 53.110 53.050 0.056 0.000 0.948 759 N CB 0.791 39.322 38.487 0.073 0.000 1.069 759 N HN 0.708 nan 8.380 nan 0.000 0.460 760 R N 2.001 122.415 120.500 -0.144 0.000 2.276 760 R HA -0.029 4.311 4.340 0.000 0.000 0.203 760 R C 1.223 177.443 176.300 -0.133 0.000 1.017 760 R CA 0.980 56.935 56.100 -0.243 0.000 1.010 760 R CB 0.310 30.354 30.300 -0.427 0.000 0.900 760 R HN 0.701 nan 8.270 nan 0.000 0.469 761 Q N -0.823 118.934 119.800 -0.071 0.000 2.373 761 Q HA 0.034 4.374 4.340 0.000 0.000 0.210 761 Q C 1.831 177.815 176.000 -0.026 0.000 0.913 761 Q CA 1.151 56.927 55.803 -0.046 0.000 0.911 761 Q CB 0.480 29.205 28.738 -0.022 0.000 1.040 761 Q HN 0.214 nan 8.270 nan 0.000 0.521 762 S N -0.300 115.404 115.700 0.007 0.000 2.470 762 S HA 0.214 4.684 4.470 0.000 0.000 0.222 762 S C 1.594 176.100 174.600 -0.157 0.000 1.024 762 S CA 0.542 58.763 58.200 0.035 0.000 0.931 762 S CB 0.317 63.649 63.200 0.220 0.000 0.791 762 S HN 0.489 nan 8.310 nan 0.000 0.513 763 G N 0.562 109.296 108.800 -0.110 0.000 2.143 763 G HA2 -0.228 3.732 3.960 0.000 0.000 0.248 763 G HA3 -0.228 3.732 3.960 0.000 0.000 0.248 763 G C -0.129 174.685 174.900 -0.143 0.000 0.991 763 G CA 0.325 45.347 45.100 -0.131 0.000 0.689 763 G HN 0.539 nan 8.290 nan 0.000 0.522 764 F N -1.319 118.816 119.950 0.309 0.000 2.538 764 F HA 0.643 5.170 4.527 0.000 0.000 0.325 764 F C 0.499 176.328 175.800 0.048 0.000 1.066 764 F CA -1.465 56.680 58.000 0.241 0.000 0.946 764 F CB 1.549 40.640 39.000 0.152 0.000 1.199 764 F HN 0.028 nan 8.300 nan 0.000 0.473 765 L N 1.803 123.085 121.223 0.099 0.000 2.530 765 L HA 0.183 4.523 4.340 0.000 0.000 0.273 765 L C 0.602 177.369 176.870 -0.171 0.000 1.141 765 L CA 0.829 55.358 54.840 -0.518 0.000 0.905 765 L CB 0.411 42.167 42.059 -0.505 0.000 1.202 765 L HN 0.642 nan 8.230 nan 0.000 0.473 766 S N 2.473 118.069 115.700 -0.174 0.000 2.470 766 S HA 0.141 4.611 4.470 0.000 0.000 0.222 766 S C 0.276 174.773 174.600 -0.172 0.000 1.024 766 S CA 0.325 58.475 58.200 -0.084 0.000 0.931 766 S CB 0.005 63.194 63.200 -0.019 0.000 0.791 766 S HN 0.757 nan 8.310 nan 0.000 0.513 767 Q N -0.130 119.516 119.800 -0.258 0.000 2.702 767 Q HA 0.602 4.942 4.340 0.000 0.000 0.289 767 Q C -1.624 174.059 176.000 -0.528 0.000 0.923 767 Q CA -0.558 54.972 55.803 -0.456 0.000 0.787 767 Q CB 1.253 29.615 28.738 -0.628 0.000 1.476 767 Q HN 0.240 nan 8.270 nan 0.000 0.402 768 M N 0.872 120.017 119.600 -0.758 0.000 2.413 768 M HA 0.745 5.225 4.480 0.000 0.000 0.287 768 M C -2.009 173.879 176.300 -0.686 0.000 1.186 768 M CA -0.274 54.670 55.300 -0.593 0.000 0.927 768 M CB 1.836 34.133 32.600 -0.505 0.000 1.715 768 M HN 0.541 nan 8.290 nan 0.000 0.478 769 W N 3.947 125.025 121.300 -0.371 0.000 2.761 769 W HA 0.673 5.333 4.660 0.000 0.000 0.340 769 W C -1.399 174.916 176.519 -0.341 0.000 1.072 769 W CA -0.879 56.297 57.345 -0.282 0.000 1.215 769 W CB 2.006 31.332 29.460 -0.224 0.000 1.420 769 W HN 0.578 nan 8.180 nan 0.000 0.519 770 I N 2.769 123.344 120.570 0.007 0.000 2.448 770 I HA 0.401 4.571 4.170 0.000 0.000 0.281 770 I C 0.728 176.838 176.117 -0.011 0.000 1.027 770 I CA 0.134 61.390 61.300 -0.074 0.000 1.111 770 I CB 1.081 39.009 38.000 -0.121 0.000 1.236 770 I HN 0.728 nan 8.210 nan 0.000 0.452 771 G N 5.838 114.627 108.800 -0.019 0.000 2.523 771 G HA2 -0.287 3.673 3.960 0.000 0.000 0.271 771 G HA3 -0.287 3.673 3.960 0.000 0.000 0.271 771 G C 0.248 175.168 174.900 0.034 0.000 1.146 771 G CA 0.456 45.549 45.100 -0.012 0.000 0.961 771 G HN 0.715 nan 8.290 nan 0.000 0.549 772 D N 0.777 121.214 120.400 0.063 0.000 2.431 772 D HA 0.234 4.874 4.640 0.000 0.000 0.213 772 D C 0.622 177.061 176.300 0.232 0.000 1.130 772 D CA 0.131 54.203 54.000 0.119 0.000 0.834 772 D CB 0.315 41.136 40.800 0.036 0.000 0.985 772 D HN 0.504 nan 8.370 nan 0.000 0.504 773 K N 1.162 121.659 120.400 0.162 0.000 2.248 773 K HA 0.272 4.592 4.320 0.000 0.000 0.281 773 K C -0.027 176.544 176.600 -0.049 0.000 1.054 773 K CA -0.444 55.878 56.287 0.057 0.000 0.903 773 K CB 1.620 34.116 32.500 -0.008 0.000 1.077 773 K HN -0.118 nan 8.250 nan 0.000 0.474 774 K N 2.203 122.492 120.400 -0.185 0.000 2.326 774 K HA 0.029 4.349 4.320 0.000 0.000 0.275 774 K C 0.752 177.161 176.600 -0.318 0.000 1.018 774 K CA -0.192 55.792 56.287 -0.506 0.000 0.962 774 K CB 0.802 33.044 32.500 -0.432 0.000 0.953 774 K HN 0.443 nan 8.250 nan 0.000 0.475 775 Q N 1.370 120.953 119.800 -0.362 0.000 2.350 775 Q HA 0.193 4.533 4.340 0.000 0.000 0.225 775 Q C 0.045 175.961 176.000 -0.140 0.000 0.878 775 Q CA 0.433 56.141 55.803 -0.158 0.000 0.935 775 Q CB 0.521 29.231 28.738 -0.046 0.000 1.099 775 Q HN 0.492 nan 8.270 nan 0.000 0.527 776 L N 0.547 121.627 121.223 -0.238 0.000 2.354 776 L HA 0.413 4.753 4.340 0.000 0.000 0.269 776 L C 0.821 177.566 176.870 -0.209 0.000 1.005 776 L CA -0.469 54.258 54.840 -0.188 0.000 0.819 776 L CB 1.712 43.663 42.059 -0.178 0.000 1.311 776 L HN -0.115 nan 8.230 nan 0.000 0.423 777 L N -0.257 120.837 121.223 -0.215 0.000 2.513 777 L HA 0.275 4.615 4.340 0.000 0.000 0.222 777 L C 0.325 177.082 176.870 -0.188 0.000 1.096 777 L CA 0.575 55.292 54.840 -0.204 0.000 0.857 777 L CB 0.261 42.187 42.059 -0.223 0.000 1.026 777 L HN 0.595 nan 8.230 nan 0.000 0.469 778 T N 0.002 114.429 114.554 -0.210 0.000 2.916 778 T HA 0.416 4.766 4.350 0.000 0.000 0.305 778 T C -2.652 171.980 174.700 -0.114 0.000 1.119 778 T CA -1.056 60.957 62.100 -0.145 0.000 1.008 778 T CB 2.710 71.455 68.868 -0.206 0.000 1.129 778 T HN -0.263 nan 8.240 nan 0.000 0.480 779 P HA 0.290 nan 4.420 nan 0.000 0.272 779 P C -0.799 176.458 177.300 -0.071 0.000 1.230 779 P CA -0.750 62.319 63.100 -0.051 0.000 0.788 779 P CB 0.436 32.136 31.700 0.000 0.000 0.949 780 L N 3.330 124.546 121.223 -0.011 0.000 2.313 780 L HA 0.306 4.646 4.340 0.000 0.000 0.282 780 L C 0.438 177.216 176.870 -0.152 0.000 1.092 780 L CA 0.496 55.345 54.840 0.016 0.000 0.831 780 L CB -0.521 41.660 42.059 0.204 0.000 1.159 780 L HN 0.415 nan 8.230 nan 0.000 0.442 781 R N 2.186 122.539 120.500 -0.245 0.000 2.764 781 R HA 0.520 4.860 4.340 0.000 0.000 0.270 781 R C -1.193 174.956 176.300 -0.251 0.000 1.014 781 R CA -1.049 54.787 56.100 -0.439 0.000 0.904 781 R CB 0.527 30.268 30.300 -0.933 0.000 1.236 781 R HN 0.414 nan 8.270 nan 0.000 0.466 782 D N 1.054 121.340 120.400 -0.190 0.000 2.399 782 D HA 0.084 4.724 4.640 0.000 0.000 0.241 782 D C -0.461 175.442 176.300 -0.662 0.000 1.133 782 D CA 0.463 54.215 54.000 -0.414 0.000 0.890 782 D CB 0.688 41.222 40.800 -0.442 0.000 1.201 782 D HN 0.313 nan 8.370 nan 0.000 0.432 783 Q N 1.238 120.457 119.800 -0.969 0.000 2.305 783 Q HA 0.369 4.709 4.340 0.000 0.000 0.271 783 Q C -1.193 174.061 176.000 -1.242 0.000 1.046 783 Q CA -0.600 54.687 55.803 -0.861 0.000 0.798 783 Q CB 0.882 29.332 28.738 -0.480 0.000 1.286 783 Q HN 0.559 nan 8.270 nan 0.000 0.435 784 F N 0.637 120.225 119.950 -0.603 0.000 2.729 784 F HA 0.201 4.728 4.527 0.000 0.000 0.315 784 F C 0.574 175.970 175.800 -0.672 0.000 1.102 784 F CA -0.216 57.334 58.000 -0.750 0.000 1.204 784 F CB 1.555 39.859 39.000 -1.160 0.000 1.052 784 F HN 0.455 nan 8.300 nan 0.000 0.551 785 T N -0.888 113.389 114.554 -0.461 0.000 2.907 785 T HA 0.760 5.110 4.350 0.000 0.000 0.290 785 T C -0.599 173.861 174.700 -0.399 0.000 1.066 785 T CA -0.976 60.773 62.100 -0.585 0.000 1.012 785 T CB 2.726 71.198 68.868 -0.661 0.000 1.184 785 T HN 0.237 nan 8.240 nan 0.000 0.522 786 R N -0.189 120.114 120.500 -0.328 0.000 2.771 786 R HA 0.757 5.098 4.340 0.000 0.000 0.274 786 R C -0.907 175.449 176.300 0.093 0.000 0.987 786 R CA -1.185 54.852 56.100 -0.106 0.000 0.908 786 R CB 1.589 31.836 30.300 -0.088 0.000 1.213 786 R HN 0.832 nan 8.270 nan 0.000 0.468 787 A N 3.833 126.692 122.820 0.065 0.000 2.476 787 A HA 0.292 4.612 4.320 0.000 0.000 0.275 787 A C -1.982 175.664 177.584 0.105 0.000 1.133 787 A CA -1.372 50.705 52.037 0.067 0.000 0.797 787 A CB -0.483 18.501 19.000 -0.026 0.000 1.081 787 A HN 0.567 nan 8.150 nan 0.000 0.510 788 P HA 0.035 nan 4.420 nan 0.000 0.263 788 P C -0.270 177.128 177.300 0.164 0.000 1.175 788 P CA 0.557 63.806 63.100 0.249 0.000 0.761 788 P CB 0.315 32.194 31.700 0.299 0.000 0.794 789 L N 2.203 123.495 121.223 0.115 0.000 2.454 789 L HA 0.236 4.576 4.340 0.000 0.000 0.256 789 L C 1.838 178.719 176.870 0.019 0.000 1.136 789 L CA -0.628 54.221 54.840 0.014 0.000 0.804 789 L CB 0.029 42.029 42.059 -0.099 0.000 1.181 789 L HN 0.275 nan 8.230 nan 0.000 0.469 790 D N 0.328 120.682 120.400 -0.076 0.000 2.123 790 D HA -0.162 4.478 4.640 0.000 0.000 0.196 790 D C 1.596 177.824 176.300 -0.118 0.000 0.992 790 D CA 1.446 55.333 54.000 -0.188 0.000 0.833 790 D CB 0.034 40.640 40.800 -0.323 0.000 0.954 790 D HN 0.473 nan 8.370 nan 0.000 0.455 791 N N 1.006 119.653 118.700 -0.089 0.000 2.309 791 N HA -0.106 4.634 4.740 0.000 0.000 0.182 791 N C 1.093 176.618 175.510 0.026 0.000 1.018 791 N CA 0.677 53.704 53.050 -0.038 0.000 0.876 791 N CB -0.150 38.301 38.487 -0.060 0.000 0.972 791 N HN 0.241 nan 8.380 nan 0.000 0.434 792 D N 0.140 120.567 120.400 0.044 0.000 2.277 792 D HA 0.061 4.701 4.640 0.000 0.000 0.208 792 D C 1.876 178.230 176.300 0.089 0.000 0.962 792 D CA 0.349 54.411 54.000 0.102 0.000 0.865 792 D CB 0.274 41.192 40.800 0.196 0.000 0.939 792 D HN 0.340 nan 8.370 nan 0.000 0.510 793 I N -0.222 120.385 120.570 0.062 0.000 2.628 793 I HA 0.097 4.267 4.170 0.000 0.000 0.255 793 I C 1.853 178.003 176.117 0.055 0.000 1.119 793 I CA 0.541 61.869 61.300 0.048 0.000 1.448 793 I CB -0.143 37.864 38.000 0.012 0.000 1.133 793 I HN 0.049 nan 8.210 nan 0.000 0.438 794 G N 1.629 110.476 108.800 0.079 0.000 2.596 794 G HA2 -0.360 3.600 3.960 0.000 0.000 0.304 794 G HA3 -0.360 3.600 3.960 0.000 0.000 0.304 794 G C 0.686 175.759 174.900 0.289 0.000 1.189 794 G CA 0.948 46.159 45.100 0.184 0.000 0.986 794 G HN 0.573 nan 8.290 nan 0.000 0.548 795 V N -2.175 117.850 119.914 0.185 0.000 3.271 795 V HA 0.688 4.808 4.120 0.000 0.000 0.327 795 V C 0.979 177.096 176.094 0.037 0.000 1.389 795 V CA 1.039 63.398 62.300 0.099 0.000 1.156 795 V CB 0.340 32.122 31.823 -0.069 0.000 1.103 795 V HN 1.282 nan 8.190 nan 0.000 0.453 796 S N 1.348 117.074 115.700 0.043 0.000 2.498 796 S HA 0.332 4.803 4.470 0.000 0.000 0.281 796 S C -0.086 174.528 174.600 0.024 0.000 1.265 796 S CA 0.063 58.273 58.200 0.016 0.000 1.071 796 S CB 0.358 63.564 63.200 0.011 0.000 0.894 796 S HN 0.799 nan 8.310 nan 0.000 0.491 797 E N 2.452 122.659 120.200 0.012 0.000 2.235 797 E HA 0.661 5.011 4.350 0.000 0.000 0.265 797 E C 0.737 177.349 176.600 0.020 0.000 0.940 797 E CA -0.292 56.121 56.400 0.021 0.000 0.819 797 E CB 1.333 31.040 29.700 0.011 0.000 1.206 797 E HN 0.639 nan 8.360 nan 0.000 0.409 798 A N 0.982 123.820 122.820 0.030 0.000 1.972 798 A HA -0.185 4.135 4.320 0.000 0.000 0.219 798 A C 2.056 179.652 177.584 0.020 0.000 1.169 798 A CA 2.330 54.384 52.037 0.029 0.000 0.635 798 A CB -0.923 18.099 19.000 0.038 0.000 0.810 798 A HN 0.700 nan 8.150 nan 0.000 0.446 799 T N -2.570 111.994 114.554 0.017 0.000 2.851 799 T HA -0.007 4.343 4.350 0.000 0.000 0.262 799 T C 1.146 175.846 174.700 -0.001 0.000 1.043 799 T CA 0.919 63.025 62.100 0.010 0.000 1.140 799 T CB -0.102 68.771 68.868 0.009 0.000 0.872 799 T HN 0.311 nan 8.240 nan 0.000 0.446 800 R N 1.134 121.630 120.500 -0.006 0.000 2.402 800 R HA 0.442 4.782 4.340 0.000 0.000 0.290 800 R C -0.756 175.533 176.300 -0.018 0.000 1.321 800 R CA -0.513 55.577 56.100 -0.018 0.000 1.283 800 R CB 0.175 30.456 30.300 -0.032 0.000 1.111 800 R HN 0.439 nan 8.270 nan 0.000 0.578 801 I N 2.233 122.795 120.570 -0.013 0.000 2.648 801 I HA -0.066 4.104 4.170 0.000 0.000 0.284 801 I C 0.196 176.297 176.117 -0.026 0.000 1.153 801 I CA 0.546 61.838 61.300 -0.013 0.000 1.426 801 I CB 0.729 38.725 38.000 -0.008 0.000 1.381 801 I HN 0.431 nan 8.210 nan 0.000 0.571 802 D N 9.404 129.786 120.400 -0.029 0.000 2.472 802 D HA 0.262 4.902 4.640 0.000 0.000 0.234 802 D C -1.677 174.584 176.300 -0.065 0.000 1.088 802 D CA -2.304 51.669 54.000 -0.044 0.000 0.882 802 D CB 1.351 42.130 40.800 -0.036 0.000 1.037 802 D HN 0.154 nan 8.370 nan 0.000 0.520 803 P HA -0.079 nan 4.420 nan 0.000 0.226 803 P C 0.488 177.694 177.300 -0.156 0.000 1.146 803 P CA 0.696 63.738 63.100 -0.097 0.000 0.773 803 P CB 0.376 32.028 31.700 -0.080 0.000 0.772 804 N N -0.456 118.145 118.700 -0.164 0.000 2.373 804 N HA 0.081 4.821 4.740 0.000 0.000 0.181 804 N C 0.804 176.114 175.510 -0.333 0.000 1.082 804 N CA 0.074 52.974 53.050 -0.249 0.000 0.885 804 N CB 0.021 38.387 38.487 -0.201 0.000 0.977 804 N HN 0.083 nan 8.380 nan 0.000 0.462 805 A N 0.352 123.038 122.820 -0.223 0.000 2.498 805 A HA 0.028 4.348 4.320 0.000 0.000 0.239 805 A C 0.776 178.164 177.584 -0.326 0.000 1.068 805 A CA -0.326 51.590 52.037 -0.202 0.000 0.766 805 A CB 0.003 18.957 19.000 -0.077 0.000 1.003 805 A HN 0.319 nan 8.150 nan 0.000 0.497 806 W N 1.869 122.920 121.300 -0.414 0.000 2.302 806 W HA -0.219 4.441 4.660 0.000 0.000 0.320 806 W C 2.249 178.188 176.519 -0.966 0.000 1.241 806 W CA 1.943 58.775 57.345 -0.854 0.000 1.264 806 W CB -0.423 28.418 29.460 -1.031 0.000 1.154 806 W HN 0.558 nan 8.180 nan 0.000 0.483 807 V N 0.771 120.556 119.914 -0.216 0.000 2.392 807 V HA -0.285 3.835 4.120 0.000 0.000 0.249 807 V C 2.211 178.380 176.094 0.126 0.000 1.059 807 V CA 2.176 64.567 62.300 0.152 0.000 1.051 807 V CB -0.410 31.547 31.823 0.223 0.000 0.658 807 V HN 0.085 nan 8.190 nan 0.000 0.455 808 E N 0.031 120.219 120.200 -0.020 0.000 2.106 808 E HA -0.160 4.190 4.350 0.000 0.000 0.192 808 E C 2.362 178.933 176.600 -0.047 0.000 0.984 808 E CA 1.147 57.536 56.400 -0.019 0.000 0.806 808 E CB -0.348 29.318 29.700 -0.057 0.000 0.750 808 E HN 0.624 nan 8.360 nan 0.000 0.458 809 R N -0.390 120.003 120.500 -0.179 0.000 2.090 809 R HA -0.085 4.255 4.340 0.000 0.000 0.228 809 R C 2.227 178.481 176.300 -0.077 0.000 1.110 809 R CA 0.841 56.820 56.100 -0.202 0.000 0.973 809 R CB -0.213 29.843 30.300 -0.406 0.000 0.869 809 R HN 0.264 nan 8.270 nan 0.000 0.440 810 W N 1.867 123.140 121.300 -0.044 0.000 2.381 810 W HA -0.004 4.656 4.660 0.000 0.000 0.301 810 W C 2.006 178.492 176.519 -0.055 0.000 1.205 810 W CA 0.365 57.581 57.345 -0.216 0.000 1.285 810 W CB -0.602 28.841 29.460 -0.028 0.000 1.133 810 W HN 0.083 nan 8.180 nan 0.000 0.521 811 K N 0.155 120.803 120.400 0.412 0.000 2.009 811 K HA -0.140 4.180 4.320 0.000 0.000 0.210 811 K C 2.190 178.880 176.600 0.151 0.000 1.049 811 K CA 1.905 58.392 56.287 0.334 0.000 0.929 811 K CB -0.586 32.044 32.500 0.217 0.000 0.714 811 K HN -0.020 nan 8.250 nan 0.000 0.440 812 A N 0.955 123.831 122.820 0.093 0.000 2.070 812 A HA -0.077 4.243 4.320 0.000 0.000 0.220 812 A C 2.113 179.724 177.584 0.046 0.000 1.159 812 A CA 1.739 53.811 52.037 0.058 0.000 0.656 812 A CB -0.408 18.608 19.000 0.027 0.000 0.800 812 A HN 0.369 nan 8.150 nan 0.000 0.453 813 A N -1.935 120.891 122.820 0.011 0.000 2.218 813 A HA 0.417 4.737 4.320 0.000 0.000 0.209 813 A C 1.752 179.317 177.584 -0.032 0.000 1.168 813 A CA 1.171 53.226 52.037 0.031 0.000 0.804 813 A CB -0.733 18.260 19.000 -0.012 0.000 0.834 813 A HN 1.840 nan 8.150 nan 0.000 0.482 814 G N -1.409 107.285 108.800 -0.175 0.000 2.132 814 G HA2 -0.287 3.673 3.960 0.000 0.000 0.234 814 G HA3 -0.287 3.673 3.960 0.000 0.000 0.234 814 G C 0.543 175.415 174.900 -0.047 0.000 0.989 814 G CA 0.617 45.394 45.100 -0.538 0.000 0.676 814 G HN 0.737 nan 8.290 nan 0.000 0.522 815 H N -1.507 117.535 119.070 -0.047 0.000 2.387 815 H HA -0.087 4.469 4.556 0.000 0.000 0.299 815 H C 2.174 177.464 175.328 -0.065 0.000 1.099 815 H CA 1.574 57.593 56.048 -0.048 0.000 1.315 815 H CB 0.104 29.761 29.762 -0.174 0.000 1.380 815 H HN 0.621 nan 8.280 nan 0.000 0.513 816 Y N 0.791 121.202 120.300 0.184 0.000 2.516 816 Y HA -0.098 4.452 4.550 0.000 0.000 0.291 816 Y C 1.934 177.903 175.900 0.115 0.000 1.131 816 Y CA 0.655 58.827 58.100 0.120 0.000 1.281 816 Y CB 0.388 38.907 38.460 0.098 0.000 1.013 816 Y HN 0.350 nan 8.280 nan 0.000 0.554 817 Q N -0.490 119.447 119.800 0.228 0.000 2.110 817 Q HA 0.467 4.807 4.340 0.000 0.000 0.232 817 Q C -0.050 176.105 176.000 0.258 0.000 0.810 817 Q CA -0.344 55.589 55.803 0.217 0.000 1.083 817 Q CB 0.474 29.328 28.738 0.193 0.000 1.193 817 Q HN 0.130 nan 8.270 nan 0.000 0.471 818 A N 1.245 124.234 122.820 0.281 0.000 2.386 818 A HA 0.312 4.632 4.320 0.000 0.000 0.248 818 A C -0.120 177.726 177.584 0.436 0.000 1.082 818 A CA -0.181 52.080 52.037 0.373 0.000 0.789 818 A CB 0.481 19.726 19.000 0.408 0.000 1.025 818 A HN 0.289 nan 8.150 nan 0.000 0.490 819 E N 0.778 121.180 120.200 0.337 0.000 2.133 819 E HA 0.470 4.820 4.350 0.000 0.000 0.274 819 E C -0.137 176.439 176.600 -0.040 0.000 0.930 819 E CA -0.209 56.302 56.400 0.185 0.000 0.770 819 E CB 1.697 31.475 29.700 0.131 0.000 1.104 819 E HN 0.717 nan 8.360 nan 0.000 0.403 820 A N 2.461 125.143 122.820 -0.230 0.000 2.401 820 A HA 0.578 4.898 4.320 0.000 0.000 0.259 820 A C -0.173 177.250 177.584 -0.268 0.000 1.103 820 A CA -0.128 51.498 52.037 -0.685 0.000 0.789 820 A CB 0.479 19.097 19.000 -0.636 0.000 1.035 820 A HN 0.546 nan 8.150 nan 0.000 0.491 821 A N 2.317 124.977 122.820 -0.267 0.000 2.343 821 A HA 0.579 4.899 4.320 0.000 0.000 0.308 821 A C -0.641 176.870 177.584 -0.121 0.000 1.092 821 A CA -0.552 51.416 52.037 -0.116 0.000 0.751 821 A CB 0.732 19.686 19.000 -0.077 0.000 1.203 821 A HN 1.329 nan 8.150 nan 0.000 0.452 822 L N 3.190 124.331 121.223 -0.137 0.000 2.410 822 L HA 0.330 4.671 4.340 0.000 0.000 0.273 822 L C 0.370 177.113 176.870 -0.212 0.000 1.144 822 L CA 0.320 54.979 54.840 -0.301 0.000 0.863 822 L CB 0.272 42.149 42.059 -0.303 0.000 1.140 822 L HN 0.782 nan 8.230 nan 0.000 0.463 823 L N 3.637 124.718 121.223 -0.235 0.000 2.470 823 L HA 0.288 4.628 4.340 0.000 0.000 0.219 823 L C 0.291 177.093 176.870 -0.113 0.000 1.071 823 L CA 0.093 54.860 54.840 -0.122 0.000 0.850 823 L CB 0.072 42.091 42.059 -0.067 0.000 1.040 823 L HN 0.793 nan 8.230 nan 0.000 0.475 824 Q N -0.371 119.331 119.800 -0.163 0.000 2.468 824 Q HA 0.259 4.599 4.340 0.000 0.000 0.263 824 Q C -1.890 174.052 176.000 -0.097 0.000 0.979 824 Q CA -0.647 55.098 55.803 -0.097 0.000 0.932 824 Q CB 2.403 31.113 28.738 -0.048 0.000 1.462 824 Q HN 0.024 nan 8.270 nan 0.000 0.403 825 C N 3.544 122.827 119.300 -0.027 0.000 2.919 825 C HA 0.727 5.187 4.460 0.000 0.000 0.337 825 C C -0.669 174.409 174.990 0.147 0.000 1.039 825 C CA 0.604 59.651 59.018 0.048 0.000 1.373 825 C CB 0.357 28.125 27.740 0.046 0.000 1.843 825 C HN 0.807 nan 8.230 nan 0.000 0.493 826 T N 2.537 117.121 114.554 0.050 0.000 2.912 826 T HA 0.885 5.235 4.350 0.000 0.000 0.288 826 T C -0.351 174.182 174.700 -0.279 0.000 1.030 826 T CA -0.142 61.931 62.100 -0.044 0.000 1.020 826 T CB 1.906 70.746 68.868 -0.047 0.000 1.056 826 T HN 1.701 nan 8.240 nan 0.000 0.480 827 A N 2.190 124.725 122.820 -0.475 0.000 2.393 827 A HA 0.758 5.078 4.320 0.000 0.000 0.306 827 A C -1.187 176.173 177.584 -0.372 0.000 1.050 827 A CA -0.740 50.916 52.037 -0.635 0.000 0.724 827 A CB 1.415 19.644 19.000 -1.285 0.000 1.248 827 A HN 0.889 nan 8.150 nan 0.000 0.424 828 D N 0.693 120.927 120.400 -0.277 0.000 2.661 828 D HA 0.523 5.163 4.640 0.000 0.000 0.228 828 D C -1.149 175.067 176.300 -0.140 0.000 1.183 828 D CA -0.009 53.888 54.000 -0.171 0.000 0.844 828 D CB 2.473 43.201 40.800 -0.119 0.000 1.555 828 D HN 0.436 nan 8.370 nan 0.000 0.453 829 T N 1.436 115.932 114.554 -0.096 0.000 2.772 829 T HA 0.467 4.817 4.350 0.000 0.000 0.288 829 T C 0.172 174.845 174.700 -0.046 0.000 0.994 829 T CA -0.579 61.482 62.100 -0.065 0.000 0.951 829 T CB 0.994 69.838 68.868 -0.040 0.000 0.933 829 T HN 0.047 nan 8.240 nan 0.000 0.447 830 L N 1.675 122.872 121.223 -0.043 0.000 2.440 830 L HA 0.704 5.044 4.340 0.000 0.000 0.262 830 L C 1.733 178.592 176.870 -0.019 0.000 1.072 830 L CA -0.410 54.411 54.840 -0.031 0.000 0.798 830 L CB 0.153 42.192 42.059 -0.033 0.000 1.307 830 L HN 0.708 nan 8.230 nan 0.000 0.475 831 A N -0.662 122.151 122.820 -0.013 0.000 2.016 831 A HA -0.052 4.268 4.320 0.000 0.000 0.217 831 A C 0.997 178.579 177.584 -0.003 0.000 1.162 831 A CA 1.479 53.513 52.037 -0.005 0.000 0.662 831 A CB -0.636 18.363 19.000 -0.002 0.000 0.812 831 A HN 0.854 nan 8.150 nan 0.000 0.450 832 D N -1.744 118.652 120.400 -0.008 0.000 2.441 832 D HA 0.541 5.181 4.640 0.000 0.000 0.210 832 D C 0.402 176.692 176.300 -0.016 0.000 1.102 832 D CA 0.754 54.750 54.000 -0.007 0.000 0.840 832 D CB 0.591 41.388 40.800 -0.005 0.000 0.990 832 D HN 0.465 nan 8.370 nan 0.000 0.505 833 A N -0.357 122.447 122.820 -0.026 0.000 2.467 833 A HA 0.598 4.918 4.320 0.000 0.000 0.301 833 A C -1.760 175.788 177.584 -0.060 0.000 1.126 833 A CA -0.766 51.244 52.037 -0.044 0.000 0.632 833 A CB 0.677 19.647 19.000 -0.050 0.000 1.331 833 A HN -0.048 nan 8.150 nan 0.000 0.482 834 V N 0.329 120.188 119.914 -0.092 0.000 2.547 834 V HA 0.680 4.800 4.120 0.000 0.000 0.299 834 V C -0.839 175.171 176.094 -0.140 0.000 1.040 834 V CA -0.430 61.798 62.300 -0.120 0.000 0.913 834 V CB 1.338 33.078 31.823 -0.139 0.000 0.992 834 V HN 0.844 nan 8.190 nan 0.000 0.449 835 L N 5.933 127.065 121.223 -0.152 0.000 2.376 835 L HA 0.661 5.001 4.340 0.000 0.000 0.275 835 L C -0.912 175.836 176.870 -0.204 0.000 0.987 835 L CA -0.008 54.748 54.840 -0.139 0.000 0.828 835 L CB 1.397 43.398 42.059 -0.096 0.000 1.249 835 L HN 0.418 nan 8.230 nan 0.000 0.409 836 I N 3.618 124.071 120.570 -0.195 0.000 2.474 836 I HA 0.513 4.683 4.170 0.000 0.000 0.294 836 I C -0.162 175.936 176.117 -0.031 0.000 1.005 836 I CA -0.372 60.771 61.300 -0.261 0.000 1.113 836 I CB 1.840 39.484 38.000 -0.594 0.000 1.289 836 I HN 0.527 nan 8.210 nan 0.000 0.436 837 T N 4.182 118.712 114.554 -0.039 0.000 2.881 837 T HA 0.634 4.984 4.350 0.000 0.000 0.290 837 T C -0.081 174.659 174.700 0.066 0.000 1.000 837 T CA -0.488 61.636 62.100 0.041 0.000 0.978 837 T CB 1.874 70.738 68.868 -0.006 0.000 0.997 837 T HN 0.825 nan 8.240 nan 0.000 0.443 838 T N -0.226 114.407 114.554 0.133 0.000 2.906 838 T HA 0.899 5.249 4.350 0.000 0.000 0.295 838 T C -1.158 173.592 174.700 0.082 0.000 1.075 838 T CA -1.058 61.095 62.100 0.089 0.000 1.005 838 T CB 2.052 71.045 68.868 0.209 0.000 1.136 838 T HN 0.770 nan 8.240 nan 0.000 0.498 839 A N 1.480 124.266 122.820 -0.056 0.000 2.459 839 A HA 0.758 5.078 4.320 0.000 0.000 0.296 839 A C -1.454 176.042 177.584 -0.148 0.000 1.039 839 A CA -0.779 51.273 52.037 0.025 0.000 0.698 839 A CB 0.839 19.857 19.000 0.029 0.000 1.261 839 A HN 1.000 nan 8.150 nan 0.000 0.405 840 H N 0.107 119.234 119.070 0.095 0.000 2.821 840 H HA 0.816 5.372 4.556 0.000 0.000 0.373 840 H C -0.069 175.293 175.328 0.056 0.000 1.165 840 H CA 0.203 56.229 56.048 -0.038 0.000 1.154 840 H CB 2.153 31.784 29.762 -0.220 0.000 1.765 840 H HN 1.004 nan 8.280 nan 0.000 0.549 841 A N 1.570 124.418 122.820 0.047 0.000 2.371 841 A HA 0.447 4.768 4.320 0.000 0.000 0.311 841 A C -1.404 176.216 177.584 0.060 0.000 1.068 841 A CA -0.719 51.420 52.037 0.169 0.000 0.744 841 A CB 1.220 20.282 19.000 0.103 0.000 1.239 841 A HN 0.588 nan 8.150 nan 0.000 0.435 842 W N 2.045 123.453 121.300 0.181 0.000 2.391 842 W HA 0.431 5.091 4.660 0.000 0.000 0.311 842 W C -0.349 176.187 176.519 0.029 0.000 1.087 842 W CA -0.171 57.272 57.345 0.163 0.000 1.209 842 W CB 1.654 31.274 29.460 0.266 0.000 1.273 842 W HN 0.776 nan 8.180 nan 0.000 0.482 843 Q N 1.660 121.596 119.800 0.227 0.000 2.458 843 Q HA 0.463 4.803 4.340 0.000 0.000 0.282 843 Q C -0.946 175.190 176.000 0.228 0.000 1.106 843 Q CA -0.944 54.951 55.803 0.154 0.000 0.814 843 Q CB 3.549 32.339 28.738 0.086 0.000 1.425 843 Q HN 0.410 nan 8.270 nan 0.000 0.437 844 H N 1.071 120.173 119.070 0.053 0.000 3.224 844 H HA 0.071 4.627 4.556 0.000 0.000 0.331 844 H C -1.009 174.348 175.328 0.049 0.000 1.002 844 H CA -0.062 56.027 56.048 0.068 0.000 1.473 844 H CB 1.027 30.840 29.762 0.085 0.000 1.830 844 H HN 0.887 nan 8.280 nan 0.000 0.485 845 Q N 3.269 122.820 119.800 -0.414 0.000 2.453 845 Q HA -0.259 4.081 4.340 0.000 0.000 0.294 845 Q C 0.971 176.901 176.000 -0.116 0.000 1.295 845 Q CA 1.252 56.869 55.803 -0.311 0.000 0.853 845 Q CB -1.313 27.163 28.738 -0.436 0.000 1.193 845 Q HN 1.194 nan 8.270 nan 0.000 0.461 846 G N -0.393 108.374 108.800 -0.055 0.000 2.268 846 G HA2 -0.359 3.601 3.960 0.000 0.000 0.240 846 G HA3 -0.359 3.601 3.960 0.000 0.000 0.240 846 G C 0.073 174.975 174.900 0.003 0.000 1.010 846 G CA 0.366 45.455 45.100 -0.019 0.000 0.618 846 G HN 0.351 nan 8.290 nan 0.000 0.516 847 K N 1.459 121.867 120.400 0.014 0.000 2.156 847 K HA 0.601 4.921 4.320 0.000 0.000 0.271 847 K C -0.285 176.326 176.600 0.019 0.000 0.995 847 K CA -0.057 56.243 56.287 0.022 0.000 0.890 847 K CB 0.793 33.312 32.500 0.032 0.000 1.073 847 K HN 0.016 nan 8.250 nan 0.000 0.454 848 T N 5.832 120.388 114.554 0.003 0.000 2.727 848 T HA 0.197 4.547 4.350 0.000 0.000 0.298 848 T C 1.173 175.813 174.700 -0.100 0.000 0.942 848 T CA -0.412 61.685 62.100 -0.004 0.000 0.997 848 T CB 0.364 69.248 68.868 0.027 0.000 0.917 848 T HN 0.536 nan 8.240 nan 0.000 0.487 849 L N 2.344 123.403 121.223 -0.273 0.000 2.102 849 L HA 0.314 4.654 4.340 0.000 0.000 0.202 849 L C -0.012 176.351 176.870 -0.845 0.000 1.076 849 L CA 0.967 55.369 54.840 -0.730 0.000 0.761 849 L CB -0.029 41.190 42.059 -1.399 0.000 0.921 849 L HN 0.514 nan 8.230 nan 0.000 0.444 850 F N -1.387 118.524 119.950 -0.064 0.000 2.626 850 F HA 0.595 5.122 4.527 0.000 0.000 0.311 850 F C -0.508 175.400 175.800 0.179 0.000 1.088 850 F CA -0.884 57.044 58.000 -0.119 0.000 0.949 850 F CB 1.928 40.531 39.000 -0.662 0.000 1.322 850 F HN -0.343 nan 8.300 nan 0.000 0.461 851 I N 1.362 122.176 120.570 0.407 0.000 2.533 851 I HA 0.396 4.567 4.170 0.000 0.000 0.290 851 I C -0.964 175.424 176.117 0.450 0.000 1.056 851 I CA -0.579 60.981 61.300 0.433 0.000 1.057 851 I CB 2.270 40.434 38.000 0.273 0.000 1.240 851 I HN 0.562 nan 8.210 nan 0.000 0.423 852 S N 6.715 122.775 115.700 0.599 0.000 2.552 852 S HA 0.579 5.049 4.470 0.000 0.000 0.314 852 S C -0.778 174.073 174.600 0.420 0.000 1.099 852 S CA -0.677 57.843 58.200 0.533 0.000 1.070 852 S CB 0.777 64.414 63.200 0.729 0.000 0.998 852 S HN 0.572 nan 8.310 nan 0.000 0.474 853 R N 3.563 124.229 120.500 0.277 0.000 2.437 853 R HA 0.554 4.894 4.340 0.000 0.000 0.310 853 R C -0.643 175.731 176.300 0.124 0.000 0.955 853 R CA -0.769 55.450 56.100 0.198 0.000 0.851 853 R CB 1.853 32.241 30.300 0.148 0.000 1.161 853 R HN 0.561 nan 8.270 nan 0.000 0.446 854 K N 0.675 121.138 120.400 0.106 0.000 2.378 854 K HA 0.538 4.858 4.320 0.000 0.000 0.244 854 K C -0.662 175.907 176.600 -0.051 0.000 1.039 854 K CA -0.956 55.307 56.287 -0.040 0.000 0.863 854 K CB 2.392 34.807 32.500 -0.142 0.000 1.326 854 K HN 0.615 nan 8.250 nan 0.000 0.460 855 T N -1.394 113.050 114.554 -0.182 0.000 2.952 855 T HA 0.532 4.882 4.350 0.000 0.000 0.305 855 T C -1.456 173.131 174.700 -0.188 0.000 1.064 855 T CA -0.772 61.276 62.100 -0.087 0.000 1.008 855 T CB 0.419 69.269 68.868 -0.029 0.000 1.078 855 T HN 0.412 nan 8.240 nan 0.000 0.459 856 Y N 1.123 121.406 120.300 -0.028 0.000 2.350 856 Y HA 0.717 5.267 4.550 0.000 0.000 0.338 856 Y C 0.394 176.240 175.900 -0.090 0.000 0.961 856 Y CA -1.113 56.978 58.100 -0.014 0.000 1.100 856 Y CB 2.091 40.571 38.460 0.032 0.000 1.179 856 Y HN 0.817 nan 8.280 nan 0.000 0.454 857 R N 4.079 124.619 120.500 0.066 0.000 2.451 857 R HA 0.677 5.017 4.340 0.000 0.000 0.307 857 R C -1.993 174.261 176.300 -0.076 0.000 0.965 857 R CA -0.406 55.680 56.100 -0.023 0.000 0.865 857 R CB 0.690 30.983 30.300 -0.012 0.000 1.174 857 R HN 0.810 nan 8.270 nan 0.000 0.455 858 I N 5.240 125.711 120.570 -0.165 0.000 2.330 858 I HA 0.242 4.412 4.170 0.000 0.000 0.289 858 I C -0.256 175.757 176.117 -0.173 0.000 1.001 858 I CA -0.787 60.349 61.300 -0.274 0.000 1.193 858 I CB 1.375 39.040 38.000 -0.559 0.000 1.345 858 I HN 0.705 nan 8.210 nan 0.000 0.461 859 D N 4.438 124.770 120.400 -0.113 0.000 2.549 859 D HA 0.230 4.870 4.640 0.000 0.000 0.270 859 D C 1.261 177.542 176.300 -0.031 0.000 1.181 859 D CA -0.791 53.175 54.000 -0.056 0.000 1.070 859 D CB 0.872 41.656 40.800 -0.028 0.000 1.154 859 D HN 0.474 nan 8.370 nan 0.000 0.602 860 G N -1.375 107.416 108.800 -0.014 0.000 2.625 860 G HA2 -0.139 3.822 3.960 0.000 0.000 0.214 860 G HA3 -0.139 3.822 3.960 0.000 0.000 0.214 860 G C 1.090 175.991 174.900 0.002 0.000 1.132 860 G CA 0.942 46.042 45.100 0.000 0.000 0.782 860 G HN 0.533 nan 8.290 nan 0.000 0.538 861 S N -1.215 114.487 115.700 0.003 0.000 2.575 861 S HA 0.384 4.854 4.470 0.000 0.000 0.215 861 S C 1.746 176.384 174.600 0.063 0.000 0.966 861 S CA 0.881 59.089 58.200 0.014 0.000 0.911 861 S CB 0.139 63.342 63.200 0.005 0.000 0.780 861 S HN 1.380 nan 8.310 nan 0.000 0.514 862 G N 0.653 109.509 108.800 0.094 0.000 2.143 862 G HA2 -0.232 3.728 3.960 0.000 0.000 0.249 862 G HA3 -0.232 3.728 3.960 0.000 0.000 0.249 862 G C -0.251 174.767 174.900 0.197 0.000 0.981 862 G CA 0.046 45.276 45.100 0.218 0.000 0.665 862 G HN 0.602 nan 8.290 nan 0.000 0.528 863 Q N -0.494 119.357 119.800 0.084 0.000 2.241 863 Q HA 0.667 5.007 4.340 0.000 0.000 0.254 863 Q C 0.148 176.158 176.000 0.017 0.000 0.917 863 Q CA -0.400 55.455 55.803 0.087 0.000 0.919 863 Q CB 1.598 30.382 28.738 0.077 0.000 1.237 863 Q HN 0.417 nan 8.270 nan 0.000 0.434 864 M N 2.132 121.774 119.600 0.069 0.000 2.114 864 M HA 0.556 5.036 4.480 0.000 0.000 0.332 864 M C -1.499 174.888 176.300 0.146 0.000 1.014 864 M CA -0.513 54.808 55.300 0.034 0.000 0.956 864 M CB 1.087 33.703 32.600 0.027 0.000 1.551 864 M HN 0.710 nan 8.290 nan 0.000 0.427 865 A N 6.831 129.710 122.820 0.099 0.000 2.288 865 A HA 0.765 5.085 4.320 0.000 0.000 0.320 865 A C -0.932 176.694 177.584 0.071 0.000 1.217 865 A CA -0.669 51.429 52.037 0.103 0.000 0.840 865 A CB 0.508 19.549 19.000 0.068 0.000 1.179 865 A HN 0.917 nan 8.150 nan 0.000 0.504 866 I N 1.539 122.138 120.570 0.048 0.000 2.474 866 I HA 0.433 4.603 4.170 0.000 0.000 0.294 866 I C -0.133 175.889 176.117 -0.160 0.000 1.005 866 I CA -0.303 60.937 61.300 -0.099 0.000 1.113 866 I CB 2.458 40.424 38.000 -0.056 0.000 1.289 866 I HN 0.507 nan 8.210 nan 0.000 0.436 867 T N 5.226 119.634 114.554 -0.244 0.000 2.841 867 T HA 0.543 4.894 4.350 0.000 0.000 0.285 867 T C -0.635 173.862 174.700 -0.338 0.000 0.991 867 T CA -0.400 61.549 62.100 -0.251 0.000 0.966 867 T CB 1.731 70.545 68.868 -0.090 0.000 0.962 867 T HN 0.216 nan 8.240 nan 0.000 0.438 868 V N 4.015 123.601 119.914 -0.547 0.000 2.540 868 V HA 0.545 4.665 4.120 0.000 0.000 0.302 868 V C -0.691 175.230 176.094 -0.287 0.000 1.035 868 V CA -0.907 61.103 62.300 -0.483 0.000 0.873 868 V CB 2.043 33.325 31.823 -0.901 0.000 0.992 868 V HN 0.831 nan 8.190 nan 0.000 0.428 869 D N 3.302 123.703 120.400 0.003 0.000 2.549 869 D HA 0.520 5.160 4.640 0.000 0.000 0.251 869 D C -1.053 175.375 176.300 0.213 0.000 1.153 869 D CA -0.105 53.996 54.000 0.168 0.000 0.861 869 D CB 2.782 43.706 40.800 0.207 0.000 1.207 869 D HN 0.269 nan 8.370 nan 0.000 0.543 870 V N 2.192 122.270 119.914 0.273 0.000 2.628 870 V HA 0.352 4.472 4.120 0.000 0.000 0.306 870 V C 0.046 176.290 176.094 0.251 0.000 1.045 870 V CA -0.698 61.775 62.300 0.289 0.000 0.905 870 V CB 2.511 34.537 31.823 0.338 0.000 0.997 870 V HN 0.374 nan 8.190 nan 0.000 0.436 871 E N 2.175 122.510 120.200 0.226 0.000 2.222 871 E HA 0.635 4.985 4.350 0.000 0.000 0.267 871 E C -1.611 175.115 176.600 0.209 0.000 0.884 871 E CA -0.621 55.890 56.400 0.185 0.000 0.764 871 E CB 2.658 32.448 29.700 0.151 0.000 1.169 871 E HN 0.412 nan 8.360 nan 0.000 0.413 872 V N 2.077 122.114 119.914 0.206 0.000 2.409 872 V HA 0.380 4.500 4.120 0.000 0.000 0.291 872 V C 0.085 176.276 176.094 0.161 0.000 1.020 872 V CA -0.932 61.513 62.300 0.242 0.000 0.848 872 V CB 1.446 33.444 31.823 0.292 0.000 0.990 872 V HN 0.838 nan 8.190 nan 0.000 0.430 873 A N 3.525 126.400 122.820 0.092 0.000 2.548 873 A HA 0.249 4.569 4.320 0.000 0.000 0.247 873 A C 1.648 179.301 177.584 0.114 0.000 1.067 873 A CA 0.653 52.730 52.037 0.066 0.000 0.757 873 A CB 0.220 19.224 19.000 0.007 0.000 0.996 873 A HN 1.377 nan 8.150 nan 0.000 0.504 874 S N 1.399 117.163 115.700 0.107 0.000 2.442 874 S HA -0.152 4.318 4.470 0.000 0.000 0.236 874 S C 0.847 175.525 174.600 0.130 0.000 1.007 874 S CA 1.351 59.632 58.200 0.135 0.000 0.965 874 S CB -0.264 62.994 63.200 0.097 0.000 0.773 874 S HN 0.815 nan 8.310 nan 0.000 0.504 875 D N 0.166 120.620 120.400 0.089 0.000 2.368 875 D HA 0.151 4.791 4.640 0.000 0.000 0.218 875 D C 0.366 176.706 176.300 0.065 0.000 1.112 875 D CA -0.073 53.965 54.000 0.064 0.000 0.834 875 D CB -0.262 40.562 40.800 0.040 0.000 0.953 875 D HN 0.282 nan 8.370 nan 0.000 0.505 876 T N 1.273 115.893 114.554 0.110 0.000 2.902 876 T HA 0.422 4.772 4.350 0.000 0.000 0.283 876 T C -2.651 172.163 174.700 0.190 0.000 1.009 876 T CA -1.991 60.203 62.100 0.157 0.000 1.051 876 T CB 1.320 70.291 68.868 0.171 0.000 0.999 876 T HN -0.170 nan 8.240 nan 0.000 0.474 877 P HA 0.117 nan 4.420 nan 0.000 0.265 877 P C -0.477 177.111 177.300 0.481 0.000 1.193 877 P CA -0.131 63.061 63.100 0.152 0.000 0.765 877 P CB 0.141 31.922 31.700 0.134 0.000 0.823 878 H N 3.216 122.647 119.070 0.600 0.000 3.001 878 H HA 0.079 4.635 4.556 0.000 0.000 0.334 878 H C -1.837 173.847 175.328 0.594 0.000 1.034 878 H CA -1.520 54.831 56.048 0.505 0.000 1.420 878 H CB -0.876 29.125 29.762 0.399 0.000 1.405 878 H HN 0.333 nan 8.280 nan 0.000 0.593 879 P HA 0.095 nan 4.420 nan 0.000 0.274 879 P C 0.333 177.551 177.300 -0.137 0.000 1.231 879 P CA -0.331 62.836 63.100 0.112 0.000 0.790 879 P CB 0.833 32.467 31.700 -0.110 0.000 0.951 880 A N 3.261 125.757 122.820 -0.541 0.000 1.969 880 A HA -0.087 4.233 4.320 0.000 0.000 0.218 880 A C 1.059 178.275 177.584 -0.613 0.000 1.169 880 A CA 1.412 53.094 52.037 -0.593 0.000 0.635 880 A CB -0.540 17.928 19.000 -0.886 0.000 0.810 880 A HN 0.757 nan 8.150 nan 0.000 0.445 881 R N -2.872 117.301 120.500 -0.544 0.000 2.728 881 R HA 0.717 5.057 4.340 0.000 0.000 0.274 881 R C -1.833 174.230 176.300 -0.394 0.000 1.030 881 R CA -0.804 54.991 56.100 -0.508 0.000 0.876 881 R CB 0.666 30.607 30.300 -0.600 0.000 1.259 881 R HN 0.005 nan 8.270 nan 0.000 0.468 882 I N 1.271 121.637 120.570 -0.340 0.000 2.517 882 I HA 0.631 4.802 4.170 0.000 0.000 0.280 882 I C -0.444 175.434 176.117 -0.399 0.000 1.061 882 I CA -0.375 60.740 61.300 -0.309 0.000 1.091 882 I CB 1.838 39.724 38.000 -0.190 0.000 1.205 882 I HN 0.975 nan 8.210 nan 0.000 0.459 883 G N 5.817 114.325 108.800 -0.487 0.000 2.650 883 G HA2 0.763 4.723 3.960 0.000 0.000 0.310 883 G HA3 0.763 4.723 3.960 0.000 0.000 0.310 883 G C -1.722 172.978 174.900 -0.332 0.000 1.270 883 G CA -0.575 44.279 45.100 -0.410 0.000 0.810 883 G HN 0.273 nan 8.290 nan 0.000 0.493 884 L N 0.756 121.837 121.223 -0.236 0.000 2.333 884 L HA 0.661 5.001 4.340 0.000 0.000 0.263 884 L C -0.750 176.002 176.870 -0.196 0.000 1.014 884 L CA -1.141 53.587 54.840 -0.188 0.000 0.820 884 L CB 2.535 44.552 42.059 -0.070 0.000 1.352 884 L HN 0.809 nan 8.230 nan 0.000 0.421 885 N N 0.532 119.144 118.700 -0.147 0.000 2.610 885 N HA 0.736 5.476 4.740 0.000 0.000 0.264 885 N C -1.237 174.268 175.510 -0.009 0.000 1.348 885 N CA -0.599 52.406 53.050 -0.076 0.000 0.819 885 N CB 2.253 40.725 38.487 -0.026 0.000 1.521 885 N HN 0.864 nan 8.380 nan 0.000 0.497 886 C N -1.615 117.706 119.300 0.035 0.000 3.292 886 C HA 0.573 5.033 4.460 0.000 0.000 0.338 886 C C -1.232 173.605 174.990 -0.254 0.000 1.323 886 C CA -0.879 58.113 59.018 -0.045 0.000 1.232 886 C CB 0.935 28.655 27.740 -0.034 0.000 1.517 886 C HN 0.867 nan 8.230 nan 0.000 0.470 887 Q N 1.451 120.891 119.800 -0.600 0.000 2.368 887 Q HA 0.655 4.995 4.340 0.000 0.000 0.256 887 Q C -0.985 174.724 176.000 -0.486 0.000 0.980 887 Q CA -0.420 54.780 55.803 -1.006 0.000 0.887 887 Q CB 0.816 28.610 28.738 -1.574 0.000 1.221 887 Q HN 0.762 nan 8.270 nan 0.000 0.458 888 L N 2.572 123.606 121.223 -0.316 0.000 2.395 888 L HA 0.290 4.630 4.340 0.000 0.000 0.269 888 L C 1.226 178.019 176.870 -0.128 0.000 1.133 888 L CA -0.251 54.520 54.840 -0.116 0.000 0.812 888 L CB 0.855 42.954 42.059 0.067 0.000 1.125 888 L HN 0.810 nan 8.230 nan 0.000 0.452 889 A N 1.976 124.746 122.820 -0.083 0.000 1.930 889 A HA -0.128 4.192 4.320 0.000 0.000 0.217 889 A C 1.174 178.731 177.584 -0.044 0.000 1.175 889 A CA 0.763 52.748 52.037 -0.087 0.000 0.627 889 A CB -0.288 18.657 19.000 -0.091 0.000 0.815 889 A HN 0.795 nan 8.150 nan 0.000 0.443 890 Q N -0.495 119.309 119.800 0.006 0.000 2.417 890 Q HA 0.433 4.773 4.340 0.000 0.000 0.241 890 Q C -1.126 174.897 176.000 0.040 0.000 1.008 890 Q CA 0.372 56.178 55.803 0.006 0.000 0.901 890 Q CB 0.840 29.602 28.738 0.042 0.000 1.259 890 Q HN 0.167 nan 8.270 nan 0.000 0.489 891 V N 2.558 122.459 119.914 -0.021 0.000 2.567 891 V HA 0.771 4.891 4.120 0.000 0.000 0.298 891 V C -0.845 175.199 176.094 -0.085 0.000 1.047 891 V CA -0.171 62.144 62.300 0.024 0.000 0.880 891 V CB 1.160 32.996 31.823 0.021 0.000 1.009 891 V HN 0.928 nan 8.190 nan 0.000 0.429 892 A N 3.201 125.930 122.820 -0.152 0.000 2.347 892 A HA 0.912 5.232 4.320 0.000 0.000 0.301 892 A C 0.536 178.141 177.584 0.035 0.000 1.163 892 A CA -0.310 51.600 52.037 -0.211 0.000 0.860 892 A CB 1.566 20.219 19.000 -0.579 0.000 1.367 892 A HN 0.680 nan 8.150 nan 0.000 0.461 893 E N -0.154 120.059 120.200 0.023 0.000 2.102 893 E HA 0.094 4.444 4.350 0.000 0.000 0.190 893 E C 0.394 177.075 176.600 0.135 0.000 0.971 893 E CA 1.071 57.516 56.400 0.075 0.000 0.821 893 E CB 0.171 29.892 29.700 0.036 0.000 0.777 893 E HN 0.512 nan 8.360 nan 0.000 0.460 894 R N -0.573 120.021 120.500 0.158 0.000 2.854 894 R HA 0.591 4.931 4.340 0.000 0.000 0.271 894 R C -1.098 175.396 176.300 0.324 0.000 0.996 894 R CA -0.928 55.294 56.100 0.204 0.000 0.961 894 R CB 2.330 32.715 30.300 0.141 0.000 1.182 894 R HN -0.179 nan 8.270 nan 0.000 0.479 895 V N 1.892 122.004 119.914 0.330 0.000 2.531 895 V HA 0.359 4.479 4.120 0.000 0.000 0.301 895 V C -0.432 175.938 176.094 0.460 0.000 1.034 895 V CA -0.909 61.624 62.300 0.389 0.000 0.865 895 V CB 1.815 33.820 31.823 0.303 0.000 0.995 895 V HN 0.696 nan 8.190 nan 0.000 0.424 896 N N 4.137 123.093 118.700 0.428 0.000 2.295 896 N HA 0.555 5.295 4.740 0.000 0.000 0.293 896 N C -1.500 174.282 175.510 0.453 0.000 1.040 896 N CA -0.422 52.846 53.050 0.363 0.000 0.840 896 N CB 2.947 41.541 38.487 0.178 0.000 1.468 896 N HN 0.826 nan 8.380 nan 0.000 0.478 897 W N 3.076 124.432 121.300 0.094 0.000 3.137 897 W HA 0.589 5.249 4.660 0.000 0.000 0.324 897 W C -2.182 174.333 176.519 -0.006 0.000 1.253 897 W CA -1.080 56.305 57.345 0.067 0.000 1.183 897 W CB 0.703 30.241 29.460 0.131 0.000 1.424 897 W HN 0.261 nan 8.180 nan 0.000 0.566 898 L N 3.973 125.201 121.223 0.008 0.000 2.318 898 L HA 0.933 5.273 4.340 0.000 0.000 0.277 898 L C -0.037 176.763 176.870 -0.117 0.000 1.008 898 L CA 0.367 55.038 54.840 -0.282 0.000 0.846 898 L CB 0.836 42.782 42.059 -0.189 0.000 1.220 898 L HN 1.046 nan 8.230 nan 0.000 0.423 899 G N 3.720 112.354 108.800 -0.277 0.000 2.356 899 G HA2 0.210 4.170 3.960 0.000 0.000 0.281 899 G HA3 0.210 4.170 3.960 0.000 0.000 0.281 899 G C -1.646 173.391 174.900 0.229 0.000 1.246 899 G CA -1.035 44.127 45.100 0.103 0.000 0.889 899 G HN 0.442 nan 8.290 nan 0.000 0.486 900 L N 1.036 122.478 121.223 0.364 0.000 2.380 900 L HA 0.622 4.962 4.340 0.000 0.000 0.273 900 L C 1.054 178.027 176.870 0.171 0.000 1.138 900 L CA 0.675 55.666 54.840 0.252 0.000 0.832 900 L CB 0.729 42.864 42.059 0.127 0.000 1.124 900 L HN 1.152 nan 8.230 nan 0.000 0.454 901 G N 2.709 111.395 108.800 -0.190 0.000 2.427 901 G HA2 0.285 4.245 3.960 0.000 0.000 0.306 901 G HA3 0.285 4.245 3.960 0.000 0.000 0.306 901 G C -2.763 171.393 174.900 -1.240 0.000 1.280 901 G CA -0.280 44.355 45.100 -0.774 0.000 0.837 901 G HN 0.310 nan 8.290 nan 0.000 0.482 902 P HA 0.121 nan 4.420 nan 0.000 0.239 902 P C 0.514 177.596 177.300 -0.362 0.000 1.188 902 P CA 0.499 62.963 63.100 -1.060 0.000 0.794 902 P CB 0.570 31.792 31.700 -0.797 0.000 0.937 903 Q N 0.570 120.167 119.800 -0.338 0.000 2.318 903 Q HA 0.128 4.468 4.340 0.000 0.000 0.222 903 Q C 0.377 176.257 176.000 -0.200 0.000 1.003 903 Q CA -0.532 55.149 55.803 -0.204 0.000 0.936 903 Q CB 0.663 29.310 28.738 -0.152 0.000 1.204 903 Q HN 0.121 nan 8.270 nan 0.000 0.524 904 E N 1.458 121.552 120.200 -0.176 0.000 2.558 904 E HA -0.123 4.227 4.350 0.000 0.000 0.255 904 E C -1.176 175.343 176.600 -0.134 0.000 0.968 904 E CA 0.224 56.513 56.400 -0.185 0.000 0.939 904 E CB 0.185 29.843 29.700 -0.070 0.000 0.921 904 E HN 0.533 nan 8.360 nan 0.000 0.477 905 N N 3.051 121.595 118.700 -0.260 0.000 2.264 905 N HA 0.336 5.076 4.740 0.000 0.000 0.288 905 N C -1.805 173.478 175.510 -0.378 0.000 1.094 905 N CA -0.680 52.266 53.050 -0.172 0.000 0.817 905 N CB 0.804 39.208 38.487 -0.138 0.000 1.604 905 N HN 0.240 nan 8.380 nan 0.000 0.473 906 Y N 0.049 120.248 120.300 -0.167 0.000 2.630 906 Y HA 0.497 5.047 4.550 0.000 0.000 0.337 906 Y C -1.598 174.217 175.900 -0.142 0.000 1.051 906 Y CA -2.103 55.882 58.100 -0.192 0.000 1.121 906 Y CB 1.793 40.134 38.460 -0.199 0.000 1.299 906 Y HN 0.447 nan 8.280 nan 0.000 0.498 907 P HA -0.156 nan 4.420 nan 0.000 0.216 907 P C 0.267 177.458 177.300 -0.182 0.000 1.150 907 P CA 2.007 65.117 63.100 0.016 0.000 0.843 907 P CB 0.209 32.004 31.700 0.158 0.000 0.787 908 D N -2.274 117.841 120.400 -0.474 0.000 2.368 908 D HA 0.036 4.676 4.640 0.000 0.000 0.218 908 D C 0.612 176.779 176.300 -0.221 0.000 1.112 908 D CA -0.027 53.533 54.000 -0.733 0.000 0.834 908 D CB -0.178 39.880 40.800 -1.237 0.000 0.953 908 D HN 0.112 nan 8.370 nan 0.000 0.505 909 R N 1.059 121.513 120.500 -0.076 0.000 2.684 909 R HA 0.201 4.541 4.340 0.000 0.000 0.252 909 R C -0.645 175.682 176.300 0.046 0.000 1.628 909 R CA -0.160 55.953 56.100 0.021 0.000 1.622 909 R CB 0.090 30.405 30.300 0.025 0.000 1.418 909 R HN 0.101 nan 8.270 nan 0.000 0.697 910 L N -1.738 119.523 121.223 0.062 0.000 3.521 910 L HA 0.326 4.666 4.340 0.000 0.000 0.323 910 L C 1.278 178.207 176.870 0.098 0.000 1.268 910 L CA 0.082 54.958 54.840 0.059 0.000 1.064 910 L CB 0.191 42.268 42.059 0.029 0.000 1.455 910 L HN 0.094 nan 8.230 nan 0.000 0.622 911 T N -2.593 112.045 114.554 0.141 0.000 2.915 911 T HA 0.022 4.372 4.350 0.000 0.000 0.269 911 T C 1.737 176.528 174.700 0.152 0.000 1.071 911 T CA 1.296 63.505 62.100 0.182 0.000 1.132 911 T CB -0.275 68.737 68.868 0.241 0.000 0.878 911 T HN 0.399 nan 8.240 nan 0.000 0.479 912 A N 1.392 124.305 122.820 0.154 0.000 2.119 912 A HA 0.662 4.982 4.320 0.000 0.000 0.216 912 A C 1.686 179.375 177.584 0.176 0.000 1.152 912 A CA 0.543 52.638 52.037 0.096 0.000 0.708 912 A CB -0.900 18.251 19.000 0.253 0.000 0.805 912 A HN 0.824 nan 8.150 nan 0.000 0.460 916 D N 2.939 122.737 120.400 -1.004 0.000 3.145 916 D HA 0.345 4.985 4.640 0.000 0.000 0.345 916 D C -1.490 173.905 176.300 -1.509 0.000 1.391 916 D CA -0.670 52.582 54.000 -1.247 0.000 0.930 916 D CB 2.250 42.265 40.800 -1.307 0.000 1.451 916 D HN 0.634 nan 8.370 nan 0.000 0.555 917 R N 0.546 120.205 120.500 -1.403 0.000 2.229 917 R HA 0.474 4.814 4.340 0.000 0.000 0.332 917 R C -1.262 174.230 176.300 -1.346 0.000 0.989 917 R CA -0.451 54.966 56.100 -1.139 0.000 0.842 917 R CB 0.484 30.390 30.300 -0.658 0.000 1.119 917 R HN 0.241 nan 8.270 nan 0.000 0.456 918 W N 2.582 123.333 121.300 -0.915 0.000 2.639 918 W HA 0.417 5.077 4.660 0.000 0.000 0.347 918 W C -0.408 175.713 176.519 -0.664 0.000 1.067 918 W CA -0.663 56.098 57.345 -0.973 0.000 1.218 918 W CB 1.502 29.916 29.460 -1.743 0.000 1.393 918 W HN 0.314 nan 8.180 nan 0.000 0.557 919 D N 2.673 123.016 120.400 -0.096 0.000 2.602 919 D HA 0.468 5.108 4.640 0.000 0.000 0.245 919 D C -1.287 175.109 176.300 0.159 0.000 1.325 919 D CA -0.108 53.935 54.000 0.072 0.000 0.952 919 D CB 1.093 41.905 40.800 0.019 0.000 1.317 919 D HN 0.365 nan 8.370 nan 0.000 0.577 920 L N 2.561 123.953 121.223 0.280 0.000 2.341 920 L HA 0.567 4.907 4.340 0.000 0.000 0.254 920 L C -2.516 174.479 176.870 0.209 0.000 1.040 920 L CA -2.202 52.778 54.840 0.233 0.000 0.837 920 L CB 2.577 44.808 42.059 0.286 0.000 1.425 920 L HN 0.136 nan 8.230 nan 0.000 0.414 921 P HA 0.146 nan 4.420 nan 0.000 0.282 921 P C 0.456 177.839 177.300 0.139 0.000 1.249 921 P CA -0.465 62.714 63.100 0.132 0.000 0.806 921 P CB 1.097 32.854 31.700 0.094 0.000 0.984 922 L N 3.466 124.776 121.223 0.144 0.000 2.089 922 L HA -0.280 4.060 4.340 0.000 0.000 0.213 922 L C 2.093 179.021 176.870 0.096 0.000 1.079 922 L CA 2.676 57.592 54.840 0.127 0.000 0.758 922 L CB -1.415 40.734 42.059 0.151 0.000 0.891 922 L HN 0.409 nan 8.230 nan 0.000 0.433 923 S N -1.708 114.048 115.700 0.095 0.000 2.400 923 S HA -0.188 4.282 4.470 0.000 0.000 0.232 923 S C 1.598 176.269 174.600 0.118 0.000 1.025 923 S CA 1.221 59.485 58.200 0.107 0.000 0.993 923 S CB -0.784 62.468 63.200 0.087 0.000 0.808 923 S HN 0.523 nan 8.310 nan 0.000 0.478 924 D N 1.244 121.696 120.400 0.086 0.000 2.348 924 D HA 0.094 4.734 4.640 0.000 0.000 0.216 924 D C 1.199 177.513 176.300 0.023 0.000 0.970 924 D CA 0.606 54.638 54.000 0.053 0.000 0.889 924 D CB -0.163 40.673 40.800 0.060 0.000 0.912 924 D HN 0.411 nan 8.370 nan 0.000 0.524 925 M N -0.293 119.331 119.600 0.039 0.000 2.505 925 M HA 0.086 4.566 4.480 0.000 0.000 0.230 925 M C -0.162 176.157 176.300 0.033 0.000 1.153 925 M CA -0.054 55.227 55.300 -0.032 0.000 0.997 925 M CB -0.803 31.766 32.600 -0.052 0.000 1.606 925 M HN -0.046 nan 8.290 nan 0.000 0.481 926 Y N -0.039 120.224 120.300 -0.062 0.000 2.376 926 Y HA 0.485 5.035 4.550 0.000 0.000 0.340 926 Y C -0.861 174.975 175.900 -0.108 0.000 0.965 926 Y CA -0.690 57.382 58.100 -0.046 0.000 1.078 926 Y CB 1.462 39.956 38.460 0.057 0.000 1.193 926 Y HN -0.098 nan 8.280 nan 0.000 0.452 927 T N 8.880 122.926 114.554 -0.848 0.000 2.788 927 T HA 0.279 4.629 4.350 0.000 0.000 0.296 927 T C -2.706 171.198 174.700 -1.327 0.000 1.009 927 T CA -1.515 60.009 62.100 -0.961 0.000 0.949 927 T CB 1.057 69.462 68.868 -0.772 0.000 0.946 927 T HN 0.449 nan 8.240 nan 0.000 0.453 928 P HA 0.111 nan 4.420 nan 0.000 0.225 928 P C -0.661 176.456 177.300 -0.305 0.000 1.768 928 P CA -0.382 62.288 63.100 -0.717 0.000 0.943 928 P CB -0.771 30.658 31.700 -0.453 0.000 1.936 929 Y N -0.320 119.882 120.300 -0.162 0.000 2.526 929 Y HA -0.078 4.472 4.550 0.000 0.000 0.330 929 Y C 2.263 178.193 175.900 0.050 0.000 1.156 929 Y CA -0.510 57.569 58.100 -0.035 0.000 1.419 929 Y CB 0.603 38.985 38.460 -0.131 0.000 1.250 929 Y HN -0.108 nan 8.280 nan 0.000 0.540 930 V N 3.756 123.872 119.914 0.338 0.000 2.317 930 V HA -0.329 3.791 4.120 0.000 0.000 0.251 930 V C 0.562 176.815 176.094 0.265 0.000 1.065 930 V CA 1.599 64.079 62.300 0.301 0.000 1.049 930 V CB -0.574 31.469 31.823 0.366 0.000 0.651 930 V HN 0.603 nan 8.190 nan 0.000 0.450 931 F N 3.236 123.219 119.950 0.055 0.000 2.361 931 F HA 0.525 5.052 4.527 0.000 0.000 0.364 931 F C -2.417 173.374 175.800 -0.015 0.000 1.120 931 F CA -3.283 54.695 58.000 -0.037 0.000 1.102 931 F CB 0.923 39.788 39.000 -0.224 0.000 1.183 931 F HN -0.013 nan 8.300 nan 0.000 0.476 932 P HA 0.312 nan 4.420 nan 0.000 0.275 932 P C -1.115 175.896 177.300 -0.481 0.000 1.228 932 P CA -0.088 62.769 63.100 -0.406 0.000 0.786 932 P CB 1.483 32.987 31.700 -0.328 0.000 0.927 933 S N -0.404 115.193 115.700 -0.172 0.000 2.703 933 S HA 0.419 4.889 4.470 0.000 0.000 0.273 933 S C -0.828 173.760 174.600 -0.019 0.000 1.178 933 S CA -0.935 57.207 58.200 -0.097 0.000 0.838 933 S CB 0.299 63.470 63.200 -0.049 0.000 1.178 933 S HN 0.343 nan 8.310 nan 0.000 0.494 934 E N 1.286 121.485 120.200 -0.001 0.000 2.529 934 E HA 0.352 4.702 4.350 0.000 0.000 0.259 934 E C -0.152 176.491 176.600 0.072 0.000 0.966 934 E CA 0.937 57.361 56.400 0.040 0.000 0.937 934 E CB -0.402 29.344 29.700 0.078 0.000 0.923 934 E HN 0.780 nan 8.360 nan 0.000 0.468 935 N N 1.601 120.376 118.700 0.125 0.000 3.116 935 N HA 0.534 5.274 4.740 0.000 0.000 0.244 935 N C 0.298 175.859 175.510 0.086 0.000 1.485 935 N CA -0.618 52.541 53.050 0.181 0.000 0.884 935 N CB 0.795 39.371 38.487 0.148 0.000 1.415 935 N HN 0.645 nan 8.380 nan 0.000 0.524 936 G N -1.437 107.378 108.800 0.025 0.000 2.179 936 G HA2 -0.269 3.691 3.960 0.000 0.000 0.260 936 G HA3 -0.269 3.691 3.960 0.000 0.000 0.260 936 G C -0.168 174.493 174.900 -0.400 0.000 0.977 936 G CA 0.397 45.399 45.100 -0.163 0.000 0.641 936 G HN 0.683 nan 8.290 nan 0.000 0.533 937 L N 1.295 122.211 121.223 -0.512 0.000 2.499 937 L HA 0.489 4.829 4.340 0.000 0.000 0.281 937 L C 0.888 177.196 176.870 -0.936 0.000 1.234 937 L CA 0.498 54.798 54.840 -0.900 0.000 0.839 937 L CB 0.367 41.575 42.059 -1.418 0.000 1.104 937 L HN 0.355 nan 8.230 nan 0.000 0.500 938 R N 3.596 123.459 120.500 -1.061 0.000 2.575 938 R HA 0.478 4.818 4.340 0.000 0.000 0.293 938 R C -1.193 174.742 176.300 -0.608 0.000 0.983 938 R CA -0.726 54.866 56.100 -0.847 0.000 0.887 938 R CB 0.876 30.642 30.300 -0.891 0.000 1.184 938 R HN 0.550 nan 8.270 nan 0.000 0.445 939 C N -0.009 119.082 119.300 -0.349 0.000 2.354 939 C HA 0.643 5.103 4.460 0.000 0.000 0.381 939 C C 1.354 176.316 174.990 -0.046 0.000 1.240 939 C CA 0.359 59.258 59.018 -0.199 0.000 2.089 939 C CB 1.145 28.791 27.740 -0.157 0.000 2.234 939 C HN 1.074 nan 8.230 nan 0.000 0.544 940 G N 2.169 110.953 108.800 -0.027 0.000 2.395 940 G HA2 -0.179 3.781 3.960 0.000 0.000 0.300 940 G HA3 -0.179 3.781 3.960 0.000 0.000 0.300 940 G C -0.084 174.869 174.900 0.089 0.000 0.998 940 G CA 0.546 45.676 45.100 0.051 0.000 1.046 940 G HN 0.798 nan 8.290 nan 0.000 0.513 941 T N -0.338 114.140 114.554 -0.127 0.000 2.799 941 T HA 0.493 4.843 4.350 0.000 0.000 0.286 941 T C 1.541 175.963 174.700 -0.464 0.000 0.973 941 T CA -0.526 61.464 62.100 -0.185 0.000 1.035 941 T CB 1.349 70.103 68.868 -0.191 0.000 0.932 941 T HN 0.385 nan 8.240 nan 0.000 0.469 942 R N 1.335 121.776 120.500 -0.098 0.000 2.279 942 R HA 0.261 4.601 4.340 0.000 0.000 0.195 942 R C 0.528 176.877 176.300 0.082 0.000 0.905 942 R CA 0.171 56.261 56.100 -0.016 0.000 1.044 942 R CB 0.841 31.246 30.300 0.175 0.000 1.056 942 R HN 0.610 nan 8.270 nan 0.000 0.535 943 E N 0.952 121.221 120.200 0.115 0.000 2.321 943 E HA 0.272 4.622 4.350 0.000 0.000 0.281 943 E C -2.043 174.709 176.600 0.253 0.000 0.910 943 E CA -0.616 55.919 56.400 0.225 0.000 0.770 943 E CB 1.824 31.623 29.700 0.165 0.000 1.225 943 E HN -0.098 nan 8.360 nan 0.000 0.417 944 L N 4.129 125.551 121.223 0.332 0.000 2.410 944 L HA 0.601 4.941 4.340 0.000 0.000 0.270 944 L C -1.865 175.229 176.870 0.373 0.000 0.983 944 L CA -0.377 54.613 54.840 0.249 0.000 0.822 944 L CB 1.795 43.840 42.059 -0.023 0.000 1.285 944 L HN 0.465 nan 8.230 nan 0.000 0.409 945 N N 4.487 123.373 118.700 0.310 0.000 2.346 945 N HA 0.406 5.146 4.740 0.000 0.000 0.289 945 N C -2.034 173.721 175.510 0.407 0.000 1.027 945 N CA -0.282 52.956 53.050 0.314 0.000 0.864 945 N CB 2.291 40.897 38.487 0.198 0.000 1.370 945 N HN 0.615 nan 8.380 nan 0.000 0.481 946 Y N 1.293 121.753 120.300 0.267 0.000 2.323 946 Y HA 0.419 4.969 4.550 0.000 0.000 0.322 946 Y C 0.470 176.484 175.900 0.190 0.000 1.133 946 Y CA 0.202 58.441 58.100 0.232 0.000 1.093 946 Y CB 0.567 39.205 38.460 0.297 0.000 1.203 946 Y HN 0.868 nan 8.280 nan 0.000 0.427 947 G N 6.397 115.080 108.800 -0.195 0.000 2.528 947 G HA2 -0.274 3.686 3.960 0.000 0.000 0.262 947 G HA3 -0.274 3.686 3.960 0.000 0.000 0.262 947 G C -1.908 172.903 174.900 -0.147 0.000 1.200 947 G CA -0.063 44.890 45.100 -0.245 0.000 0.951 947 G HN 0.552 nan 8.290 nan 0.000 0.566 948 P HA 0.130 nan 4.420 nan 0.000 0.236 948 P C 0.516 177.587 177.300 -0.380 0.000 1.177 948 P CA 0.967 63.876 63.100 -0.319 0.000 0.773 948 P CB -0.051 31.379 31.700 -0.449 0.000 0.878 949 H N -0.222 118.795 119.070 -0.088 0.000 2.505 949 H HA 0.470 5.026 4.556 0.000 0.000 0.351 949 H C 0.420 175.515 175.328 -0.389 0.000 1.151 949 H CA -0.170 55.704 56.048 -0.291 0.000 1.339 949 H CB 0.825 30.248 29.762 -0.565 0.000 1.483 949 H HN -0.048 nan 8.280 nan 0.000 0.558 950 Q N 2.723 122.275 119.800 -0.413 0.000 2.284 950 Q HA 0.221 4.561 4.340 0.000 0.000 0.269 950 Q C -1.901 173.883 176.000 -0.360 0.000 1.026 950 Q CA -0.771 54.892 55.803 -0.233 0.000 0.831 950 Q CB 1.781 30.513 28.738 -0.010 0.000 1.322 950 Q HN 0.633 nan 8.270 nan 0.000 0.419 951 W N 3.543 124.847 121.300 0.007 0.000 2.819 951 W HA 0.596 5.256 4.660 0.000 0.000 0.337 951 W C -0.455 176.159 176.519 0.158 0.000 1.077 951 W CA -0.792 56.534 57.345 -0.031 0.000 1.226 951 W CB 2.237 31.512 29.460 -0.308 0.000 1.419 951 W HN 0.614 nan 8.180 nan 0.000 0.502 952 R N 0.741 121.496 120.500 0.425 0.000 2.744 952 R HA 0.862 5.202 4.340 0.000 0.000 0.279 952 R C 0.131 176.707 176.300 0.460 0.000 0.977 952 R CA -0.586 55.770 56.100 0.427 0.000 0.906 952 R CB 2.364 32.830 30.300 0.277 0.000 1.197 952 R HN 0.705 nan 8.270 nan 0.000 0.463 953 G N 0.499 109.584 108.800 0.475 0.000 2.513 953 G HA2 0.104 4.065 3.960 0.000 0.000 0.182 953 G HA3 0.104 4.065 3.960 0.000 0.000 0.182 953 G C -1.772 173.279 174.900 0.252 0.000 1.190 953 G CA -0.531 44.815 45.100 0.410 0.000 0.987 953 G HN 0.513 nan 8.290 nan 0.000 0.479 954 D N 0.117 120.673 120.400 0.259 0.000 2.330 954 D HA 0.649 5.289 4.640 0.000 0.000 0.249 954 D C -0.550 175.762 176.300 0.021 0.000 1.306 954 D CA -0.425 53.593 54.000 0.029 0.000 0.956 954 D CB 0.363 41.202 40.800 0.065 0.000 1.261 954 D HN 0.579 nan 8.370 nan 0.000 0.544 955 F N -0.054 119.893 119.950 -0.006 0.000 3.016 955 F HA 0.657 5.184 4.527 0.000 0.000 0.324 955 F C -1.385 174.375 175.800 -0.067 0.000 1.196 955 F CA -1.097 56.834 58.000 -0.115 0.000 0.929 955 F CB 0.670 39.587 39.000 -0.138 0.000 1.440 955 F HN -0.096 nan 8.300 nan 0.000 0.505 956 Q N 1.433 121.322 119.800 0.148 0.000 2.387 956 Q HA 0.677 5.017 4.340 0.000 0.000 0.273 956 Q C -1.316 174.781 176.000 0.161 0.000 1.089 956 Q CA -0.515 55.294 55.803 0.009 0.000 0.824 956 Q CB 2.806 31.423 28.738 -0.202 0.000 1.367 956 Q HN 0.880 nan 8.270 nan 0.000 0.443 957 F N -1.180 118.658 119.950 -0.186 0.000 2.711 957 F HA 0.778 5.305 4.527 0.000 0.000 0.313 957 F C -1.606 173.985 175.800 -0.348 0.000 1.141 957 F CA -1.083 56.766 58.000 -0.251 0.000 0.941 957 F CB 1.618 40.483 39.000 -0.225 0.000 1.349 957 F HN 0.577 nan 8.300 nan 0.000 0.464 958 N N 1.086 119.658 118.700 -0.212 0.000 2.329 958 N HA 0.693 5.433 4.740 0.000 0.000 0.282 958 N C -2.189 173.295 175.510 -0.043 0.000 1.198 958 N CA -0.684 52.211 53.050 -0.258 0.000 0.790 958 N CB 2.505 40.832 38.487 -0.267 0.000 1.579 958 N HN 1.131 nan 8.380 nan 0.000 0.475 959 I N 0.623 121.154 120.570 -0.065 0.000 2.610 959 I HA 0.678 4.848 4.170 0.000 0.000 0.289 959 I C -1.255 174.816 176.117 -0.076 0.000 1.163 959 I CA 0.072 61.312 61.300 -0.099 0.000 1.044 959 I CB 1.334 39.217 38.000 -0.196 0.000 1.251 959 I HN 1.068 nan 8.210 nan 0.000 0.424 960 S N 6.368 122.036 115.700 -0.052 0.000 2.714 960 S HA 0.518 4.988 4.470 0.000 0.000 0.280 960 S C -0.351 174.182 174.600 -0.111 0.000 1.200 960 S CA -0.952 57.211 58.200 -0.061 0.000 0.900 960 S CB 1.532 64.761 63.200 0.048 0.000 1.235 960 S HN 0.621 nan 8.310 nan 0.000 0.512 961 R N -0.112 120.146 120.500 -0.403 0.000 2.427 961 R HA 0.287 4.627 4.340 0.000 0.000 0.262 961 R C -0.979 174.970 176.300 -0.586 0.000 0.943 961 R CA 0.195 56.008 56.100 -0.479 0.000 1.081 961 R CB -0.542 29.345 30.300 -0.687 0.000 1.166 961 R HN 0.634 nan 8.270 nan 0.000 0.534 962 Y N 0.342 120.610 120.300 -0.054 0.000 2.409 962 Y HA 0.250 4.800 4.550 0.000 0.000 0.343 962 Y C 0.782 176.428 175.900 -0.423 0.000 0.973 962 Y CA -1.171 56.803 58.100 -0.209 0.000 1.064 962 Y CB 1.478 39.771 38.460 -0.278 0.000 1.207 962 Y HN -0.098 nan 8.280 nan 0.000 0.452 963 S N 1.555 116.905 115.700 -0.584 0.000 2.603 963 S HA 0.077 4.547 4.470 0.000 0.000 0.268 963 S C 0.865 175.131 174.600 -0.558 0.000 1.317 963 S CA -0.691 56.819 58.200 -1.150 0.000 1.012 963 S CB 1.171 63.644 63.200 -1.211 0.000 0.926 963 S HN 0.751 nan 8.310 nan 0.000 0.539 964 Q N 0.610 120.090 119.800 -0.534 0.000 2.135 964 Q HA -0.194 4.146 4.340 0.000 0.000 0.204 964 Q C 2.175 178.042 176.000 -0.222 0.000 0.981 964 Q CA 1.776 57.410 55.803 -0.283 0.000 0.856 964 Q CB -0.500 28.109 28.738 -0.215 0.000 0.902 964 Q HN 0.938 nan 8.270 nan 0.000 0.425 965 Q N 0.653 120.295 119.800 -0.264 0.000 2.079 965 Q HA -0.201 4.139 4.340 0.000 0.000 0.200 965 Q C 2.045 177.948 176.000 -0.162 0.000 0.974 965 Q CA 1.326 57.027 55.803 -0.170 0.000 0.840 965 Q CB 0.026 28.684 28.738 -0.132 0.000 0.898 965 Q HN 0.429 nan 8.270 nan 0.000 0.430 966 Q N 0.127 119.807 119.800 -0.200 0.000 2.050 966 Q HA -0.154 4.186 4.340 0.000 0.000 0.202 966 Q C 2.373 178.258 176.000 -0.192 0.000 0.980 966 Q CA 1.304 57.000 55.803 -0.179 0.000 0.840 966 Q CB -0.093 28.521 28.738 -0.207 0.000 0.898 966 Q HN 0.465 nan 8.270 nan 0.000 0.424 967 L N 0.177 121.280 121.223 -0.200 0.000 2.043 967 L HA -0.236 4.104 4.340 0.000 0.000 0.212 967 L C 2.693 179.433 176.870 -0.217 0.000 1.075 967 L CA 1.400 56.112 54.840 -0.213 0.000 0.752 967 L CB -0.386 41.578 42.059 -0.159 0.000 0.891 967 L HN 0.417 nan 8.230 nan 0.000 0.432 968 M N -0.646 118.854 119.600 -0.167 0.000 2.394 968 M HA -0.147 4.333 4.480 0.000 0.000 0.264 968 M C 1.582 177.802 176.300 -0.133 0.000 1.073 968 M CA 1.544 56.758 55.300 -0.144 0.000 1.111 968 M CB 0.133 32.665 32.600 -0.113 0.000 1.401 968 M HN 0.192 nan 8.290 nan 0.000 0.448 969 E N -0.726 119.397 120.200 -0.128 0.000 2.452 969 E HA 0.067 4.417 4.350 0.000 0.000 0.197 969 E C -0.251 176.298 176.600 -0.085 0.000 1.022 969 E CA 0.152 56.500 56.400 -0.088 0.000 0.890 969 E CB 0.563 30.224 29.700 -0.065 0.000 0.918 969 E HN 0.317 nan 8.360 nan 0.000 0.496 970 T N 0.828 115.300 114.554 -0.137 0.000 2.744 970 T HA 0.072 4.422 4.350 0.000 0.000 0.291 970 T C 1.129 175.728 174.700 -0.167 0.000 0.957 970 T CA -0.312 61.706 62.100 -0.136 0.000 1.002 970 T CB 1.531 70.287 68.868 -0.186 0.000 0.919 970 T HN 0.043 nan 8.240 nan 0.000 0.468 971 S N 2.180 117.868 115.700 -0.020 0.000 2.496 971 S HA 0.038 4.508 4.470 0.000 0.000 0.224 971 S C 0.321 174.979 174.600 0.098 0.000 0.996 971 S CA 0.348 58.607 58.200 0.098 0.000 0.927 971 S CB -0.213 63.188 63.200 0.335 0.000 0.774 971 S HN 0.746 nan 8.310 nan 0.000 0.524 972 H N 0.241 119.295 119.070 -0.025 0.000 2.851 972 H HA 0.515 5.071 4.556 0.000 0.000 0.372 972 H C 0.944 176.236 175.328 -0.060 0.000 1.158 972 H CA -0.763 55.333 56.048 0.080 0.000 1.159 972 H CB 1.519 31.348 29.762 0.111 0.000 1.757 972 H HN 0.104 nan 8.280 nan 0.000 0.546 973 R N 1.347 121.956 120.500 0.181 0.000 2.105 973 R HA -0.182 4.158 4.340 0.000 0.000 0.239 973 R C 1.391 177.691 176.300 -0.001 0.000 1.135 973 R CA 1.936 58.069 56.100 0.056 0.000 0.967 973 R CB -0.569 29.790 30.300 0.099 0.000 0.861 973 R HN 0.772 nan 8.270 nan 0.000 0.442 974 H N 1.587 120.659 119.070 0.003 0.000 2.489 974 H HA -0.023 4.533 4.556 0.000 0.000 0.293 974 H C 1.540 176.787 175.328 -0.135 0.000 1.066 974 H CA 1.044 57.047 56.048 -0.075 0.000 1.305 974 H CB -0.246 29.458 29.762 -0.097 0.000 1.386 974 H HN 0.322 nan 8.280 nan 0.000 0.551 975 L N 0.900 121.690 121.223 -0.722 0.000 2.591 975 L HA 0.196 4.536 4.340 0.000 0.000 0.228 975 L C 0.583 177.319 176.870 -0.223 0.000 1.133 975 L CA -0.103 54.447 54.840 -0.483 0.000 0.880 975 L CB -0.035 41.740 42.059 -0.474 0.000 1.033 975 L HN 0.048 nan 8.230 nan 0.000 0.450 976 L N 0.741 121.834 121.223 -0.217 0.000 2.395 976 L HA 0.218 4.558 4.340 0.000 0.000 0.269 976 L C 0.269 177.131 176.870 -0.013 0.000 1.133 976 L CA -0.298 54.414 54.840 -0.214 0.000 0.812 976 L CB 0.609 42.356 42.059 -0.519 0.000 1.125 976 L HN 0.170 nan 8.230 nan 0.000 0.452 977 H N 1.684 120.799 119.070 0.075 0.000 2.529 977 H HA 0.610 5.166 4.556 0.000 0.000 0.348 977 H C -0.763 174.664 175.328 0.164 0.000 1.079 977 H CA -1.193 54.916 56.048 0.103 0.000 1.198 977 H CB 1.400 31.176 29.762 0.023 0.000 1.521 977 H HN 0.698 nan 8.280 nan 0.000 0.514 978 A N 4.051 126.953 122.820 0.137 0.000 2.540 978 A HA 0.083 4.403 4.320 0.000 0.000 0.239 978 A C 0.357 177.961 177.584 0.032 0.000 1.061 978 A CA -0.187 51.768 52.037 -0.137 0.000 0.758 978 A CB 0.012 18.916 19.000 -0.160 0.000 0.991 978 A HN 0.871 nan 8.150 nan 0.000 0.502 979 E N 1.110 121.286 120.200 -0.040 0.000 2.359 979 E HA 0.117 4.467 4.350 0.000 0.000 0.255 979 E C 0.640 177.260 176.600 0.033 0.000 1.191 979 E CA -0.696 55.769 56.400 0.108 0.000 0.952 979 E CB 0.670 30.521 29.700 0.252 0.000 1.152 979 E HN 0.822 nan 8.360 nan 0.000 0.496 980 E N 0.228 120.447 120.200 0.032 0.000 2.065 980 E HA -0.210 4.140 4.350 0.000 0.000 0.201 980 E C 0.923 177.474 176.600 -0.081 0.000 1.016 980 E CA 1.727 58.108 56.400 -0.031 0.000 0.818 980 E CB 0.014 29.695 29.700 -0.031 0.000 0.749 980 E HN 0.564 nan 8.360 nan 0.000 0.453 981 G N -1.357 107.349 108.800 -0.156 0.000 3.392 981 G HA2 0.250 4.210 3.960 0.000 0.000 0.185 981 G HA3 0.250 4.210 3.960 0.000 0.000 0.185 981 G C -0.683 174.135 174.900 -0.136 0.000 1.206 981 G CA -0.159 44.860 45.100 -0.135 0.000 0.776 981 G HN 0.098 nan 8.290 nan 0.000 0.697 982 T N 0.451 114.922 114.554 -0.139 0.000 2.807 982 T HA 0.411 4.761 4.350 0.000 0.000 0.279 982 T C -1.556 173.008 174.700 -0.227 0.000 0.993 982 T CA -0.073 61.967 62.100 -0.100 0.000 0.970 982 T CB 1.610 70.508 68.868 0.049 0.000 0.950 982 T HN 0.309 nan 8.240 nan 0.000 0.441 983 W N 3.067 124.281 121.300 -0.144 0.000 2.361 983 W HA 0.631 5.291 4.660 0.000 0.000 0.309 983 W C -0.433 175.968 176.519 -0.196 0.000 1.122 983 W CA -0.705 56.553 57.345 -0.146 0.000 1.208 983 W CB 0.917 30.298 29.460 -0.132 0.000 1.246 983 W HN 0.366 nan 8.180 nan 0.000 0.490 984 L N 5.422 126.680 121.223 0.057 0.000 2.362 984 L HA 0.525 4.865 4.340 0.000 0.000 0.275 984 L C -0.999 175.795 176.870 -0.127 0.000 0.998 984 L CA -0.447 54.305 54.840 -0.146 0.000 0.820 984 L CB 1.090 42.929 42.059 -0.368 0.000 1.270 984 L HN 0.323 nan 8.230 nan 0.000 0.415 985 N N 6.944 125.550 118.700 -0.156 0.000 2.442 985 N HA 0.451 5.192 4.740 0.000 0.000 0.274 985 N C -1.274 174.107 175.510 -0.216 0.000 1.002 985 N CA -0.343 52.605 53.050 -0.169 0.000 0.910 985 N CB 2.244 40.655 38.487 -0.127 0.000 1.244 985 N HN 0.487 nan 8.380 nan 0.000 0.492 986 I N 1.835 122.222 120.570 -0.306 0.000 2.354 986 I HA 0.266 4.436 4.170 0.000 0.000 0.286 986 I C -0.457 175.470 176.117 -0.316 0.000 1.007 986 I CA -0.451 60.625 61.300 -0.373 0.000 1.167 986 I CB 1.396 39.032 38.000 -0.606 0.000 1.320 986 I HN 0.170 nan 8.210 nan 0.000 0.458 987 D N 4.546 124.801 120.400 -0.241 0.000 2.217 987 D HA 0.316 4.956 4.640 0.000 0.000 0.243 987 D C 1.069 177.086 176.300 -0.471 0.000 1.054 987 D CA -0.221 53.583 54.000 -0.327 0.000 0.838 987 D CB 2.592 43.294 40.800 -0.164 0.000 1.162 987 D HN 0.694 nan 8.370 nan 0.000 0.472 988 G N 1.214 109.461 108.800 -0.922 0.000 2.408 988 G HA2 0.018 3.978 3.960 0.000 0.000 0.215 988 G HA3 0.018 3.978 3.960 0.000 0.000 0.215 988 G C 0.063 174.156 174.900 -1.344 0.000 1.156 988 G CA 0.567 44.881 45.100 -1.310 0.000 0.793 988 G HN 0.385 nan 8.290 nan 0.000 0.535 989 F N -1.917 117.824 119.950 -0.348 0.000 2.654 989 F HA 0.545 5.072 4.527 0.000 0.000 0.308 989 F C -0.667 175.026 175.800 -0.179 0.000 1.108 989 F CA -1.259 56.618 58.000 -0.205 0.000 0.957 989 F CB 1.904 40.725 39.000 -0.297 0.000 1.309 989 F HN -0.072 nan 8.300 nan 0.000 0.446 990 H N 2.406 121.483 119.070 0.012 0.000 2.865 990 H HA 0.420 4.976 4.556 0.000 0.000 0.362 990 H C -1.143 174.203 175.328 0.029 0.000 1.114 990 H CA -0.719 55.308 56.048 -0.034 0.000 1.208 990 H CB 2.488 32.210 29.762 -0.068 0.000 1.727 990 H HN 0.837 nan 8.280 nan 0.000 0.534 991 M N 2.426 122.002 119.600 -0.040 0.000 2.245 991 M HA 0.265 4.745 4.480 0.000 0.000 0.330 991 M C 0.584 177.001 176.300 0.195 0.000 1.098 991 M CA 0.278 55.610 55.300 0.054 0.000 1.172 991 M CB 0.382 32.915 32.600 -0.112 0.000 1.467 991 M HN 0.744 nan 8.290 nan 0.000 0.454 992 G N 2.371 111.252 108.800 0.134 0.000 2.683 992 G HA2 0.330 4.290 3.960 0.000 0.000 0.260 992 G HA3 0.330 4.290 3.960 0.000 0.000 0.260 992 G C 0.543 175.415 174.900 -0.047 0.000 1.238 992 G CA -0.331 44.771 45.100 0.004 0.000 0.934 992 G HN 0.962 nan 8.290 nan 0.000 0.534 993 I N -2.704 117.787 120.570 -0.132 0.000 3.939 993 I HA 0.453 4.623 4.170 0.000 0.000 0.313 993 I C 1.150 177.191 176.117 -0.126 0.000 1.274 993 I CA 0.505 61.701 61.300 -0.174 0.000 1.301 993 I CB -0.326 37.483 38.000 -0.319 0.000 1.105 993 I HN 0.969 nan 8.210 nan 0.000 0.427 994 G N 1.620 110.366 108.800 -0.090 0.000 2.598 994 G HA2 0.055 4.016 3.960 0.000 0.000 0.244 994 G HA3 0.055 4.016 3.960 0.000 0.000 0.244 994 G C 0.575 175.466 174.900 -0.016 0.000 1.302 994 G CA 0.104 45.191 45.100 -0.022 0.000 0.903 994 G HN 1.414 nan 8.290 nan 0.000 0.575 995 G N -2.250 106.555 108.800 0.008 0.000 2.370 995 G HA2 0.023 3.983 3.960 0.000 0.000 0.174 995 G HA3 0.023 3.983 3.960 0.000 0.000 0.174 995 G C 0.605 175.548 174.900 0.072 0.000 1.002 995 G CA 0.934 46.047 45.100 0.021 0.000 0.730 995 G HN 0.990 nan 8.290 nan 0.000 0.497 996 D N 1.176 121.633 120.400 0.095 0.000 2.221 996 D HA 0.132 4.772 4.640 0.000 0.000 0.204 996 D C 0.958 177.276 176.300 0.031 0.000 0.982 996 D CA 2.080 56.193 54.000 0.188 0.000 0.857 996 D CB 0.148 41.073 40.800 0.209 0.000 0.934 996 D HN 0.836 nan 8.370 nan 0.000 0.475 997 D N -3.527 116.693 120.400 -0.300 0.000 2.653 997 D HA 0.247 4.887 4.640 0.000 0.000 0.258 997 D C -0.854 174.930 176.300 -0.860 0.000 1.252 997 D CA -0.735 52.668 54.000 -0.995 0.000 0.777 997 D CB 0.739 40.506 40.800 -1.721 0.000 1.339 997 D HN -0.292 nan 8.370 nan 0.000 0.422 998 S N -0.179 114.810 115.700 -1.185 0.000 2.588 998 S HA 0.258 4.728 4.470 0.000 0.000 0.245 998 S C -0.502 174.163 174.600 0.109 0.000 1.021 998 S CA -0.641 57.403 58.200 -0.259 0.000 1.006 998 S CB -0.600 62.683 63.200 0.139 0.000 0.830 998 S HN 0.616 nan 8.310 nan 0.000 0.468 999 W N 0.924 122.170 121.300 -0.090 0.000 2.036 999 W HA 0.544 5.204 4.660 0.000 0.000 0.298 999 W C -0.037 176.443 176.519 -0.066 0.000 0.885 999 W CA -0.563 56.739 57.345 -0.072 0.000 1.488 999 W CB -0.545 28.811 29.460 -0.172 0.000 1.079 999 W HN 0.171 nan 8.180 nan 0.000 0.506 1000 S N -1.008 114.608 115.700 -0.140 0.000 2.596 1000 S HA 0.659 5.129 4.470 0.000 0.000 0.270 1000 S C -3.156 171.394 174.600 -0.082 0.000 1.155 1000 S CA -1.659 56.489 58.200 -0.087 0.000 0.827 1000 S CB 1.739 64.899 63.200 -0.066 0.000 1.130 1000 S HN -0.204 nan 8.310 nan 0.000 0.467 1001 P HA 0.248 nan 4.420 nan 0.000 0.266 1001 P C 0.228 177.577 177.300 0.082 0.000 1.215 1001 P CA -0.130 63.003 63.100 0.055 0.000 0.763 1001 P CB 0.689 32.335 31.700 -0.090 0.000 0.806 1002 S N 0.689 116.464 115.700 0.124 0.000 2.819 1002 S HA 0.163 4.633 4.470 0.000 0.000 0.249 1002 S C 0.206 174.885 174.600 0.131 0.000 1.030 1002 S CA -0.362 57.886 58.200 0.080 0.000 1.052 1002 S CB -0.262 62.935 63.200 -0.005 0.000 1.017 1002 S HN 0.117 nan 8.310 nan 0.000 0.576 1003 V N 4.232 124.267 119.914 0.202 0.000 2.408 1003 V HA 0.414 4.534 4.120 0.000 0.000 0.267 1003 V C 0.783 177.036 176.094 0.265 0.000 1.047 1003 V CA -0.476 61.942 62.300 0.195 0.000 0.937 1003 V CB 0.636 32.533 31.823 0.123 0.000 0.999 1003 V HN 0.650 nan 8.190 nan 0.000 0.472 1004 S N 4.439 120.324 115.700 0.308 0.000 2.579 1004 S HA 0.332 4.802 4.470 0.000 0.000 0.275 1004 S C 1.495 176.241 174.600 0.243 0.000 1.345 1004 S CA -0.016 58.348 58.200 0.274 0.000 1.031 1004 S CB 1.303 64.630 63.200 0.212 0.000 0.892 1004 S HN 1.044 nan 8.310 nan 0.000 0.529 1005 A N 1.916 124.823 122.820 0.145 0.000 1.917 1005 A HA -0.189 4.131 4.320 0.000 0.000 0.219 1005 A C 1.907 179.491 177.584 0.001 0.000 1.182 1005 A CA 1.979 54.080 52.037 0.106 0.000 0.633 1005 A CB -1.228 17.815 19.000 0.072 0.000 0.819 1005 A HN 0.962 nan 8.150 nan 0.000 0.448 1006 E N -1.050 119.055 120.200 -0.158 0.000 2.396 1006 E HA -0.117 4.233 4.350 0.000 0.000 0.200 1006 E C 0.715 176.993 176.600 -0.536 0.000 1.023 1006 E CA 1.051 57.215 56.400 -0.393 0.000 0.857 1006 E CB -0.366 28.887 29.700 -0.745 0.000 0.775 1006 E HN 0.794 nan 8.360 nan 0.000 0.525 1007 F N 0.549 120.546 119.950 0.078 0.000 2.654 1007 F HA 0.218 4.745 4.527 0.000 0.000 0.303 1007 F C 0.545 176.379 175.800 0.057 0.000 1.099 1007 F CA -0.521 57.524 58.000 0.075 0.000 1.270 1007 F CB 0.435 39.479 39.000 0.073 0.000 1.024 1007 F HN -0.168 nan 8.300 nan 0.000 0.548 1008 Q N 1.324 121.236 119.800 0.186 0.000 2.230 1008 Q HA 0.416 4.756 4.340 0.000 0.000 0.248 1008 Q C -0.227 175.798 176.000 0.043 0.000 0.915 1008 Q CA -0.570 55.320 55.803 0.144 0.000 0.900 1008 Q CB 2.052 30.959 28.738 0.281 0.000 1.229 1008 Q HN 0.260 nan 8.270 nan 0.000 0.439 1009 L N 2.419 123.646 121.223 0.007 0.000 2.399 1009 L HA 0.113 4.453 4.340 0.000 0.000 0.257 1009 L C 0.670 177.456 176.870 -0.140 0.000 1.236 1009 L CA -0.065 54.754 54.840 -0.036 0.000 1.144 1009 L CB -0.304 41.648 42.059 -0.180 0.000 1.379 1009 L HN 0.696 nan 8.230 nan 0.000 0.414 1010 S N -0.987 114.566 115.700 -0.245 0.000 2.568 1010 S HA 0.158 4.629 4.470 0.000 0.000 0.232 1010 S C 1.568 176.084 174.600 -0.140 0.000 0.975 1010 S CA 0.161 58.062 58.200 -0.500 0.000 0.949 1010 S CB 0.741 63.632 63.200 -0.515 0.000 0.829 1010 S HN 0.524 nan 8.310 nan 0.000 0.479 1011 A N 1.363 124.145 122.820 -0.064 0.000 2.119 1011 A HA 0.490 4.810 4.320 0.000 0.000 0.217 1011 A C 2.069 179.502 177.584 -0.251 0.000 1.153 1011 A CA 1.070 52.950 52.037 -0.262 0.000 0.692 1011 A CB -1.177 17.474 19.000 -0.581 0.000 0.799 1011 A HN 1.478 nan 8.150 nan 0.000 0.458 1012 G N -1.425 107.312 108.800 -0.106 0.000 2.417 1012 G HA2 -0.272 3.688 3.960 0.000 0.000 0.233 1012 G HA3 -0.272 3.688 3.960 0.000 0.000 0.233 1012 G C 0.433 175.297 174.900 -0.061 0.000 1.103 1012 G CA 0.387 45.474 45.100 -0.021 0.000 0.647 1012 G HN 0.660 nan 8.290 nan 0.000 0.512 1013 R N -0.597 119.707 120.500 -0.328 0.000 2.574 1013 R HA 0.645 4.985 4.340 0.000 0.000 0.288 1013 R C -1.642 174.335 176.300 -0.538 0.000 1.004 1013 R CA -0.581 55.383 56.100 -0.227 0.000 0.895 1013 R CB 1.592 31.825 30.300 -0.112 0.000 1.191 1013 R HN 0.231 nan 8.270 nan 0.000 0.444 1014 Y N 0.313 120.616 120.300 0.005 0.000 2.477 1014 Y HA 0.345 4.895 4.550 0.000 0.000 0.347 1014 Y C -0.377 175.687 175.900 0.273 0.000 0.981 1014 Y CA -0.853 57.235 58.100 -0.020 0.000 1.033 1014 Y CB 2.259 40.581 38.460 -0.231 0.000 1.245 1014 Y HN 0.581 nan 8.280 nan 0.000 0.455 1015 H N 2.718 122.071 119.070 0.471 0.000 2.679 1015 H HA 0.610 5.166 4.556 0.000 0.000 0.360 1015 H C -1.716 173.978 175.328 0.610 0.000 1.105 1015 H CA -0.922 55.375 56.048 0.416 0.000 1.196 1015 H CB 1.211 31.114 29.762 0.235 0.000 1.636 1015 H HN 0.585 nan 8.280 nan 0.000 0.531 1016 Y N 1.194 121.280 120.300 -0.357 0.000 2.638 1016 Y HA 0.583 5.133 4.550 0.000 0.000 0.335 1016 Y C -1.911 173.794 175.900 -0.324 0.000 1.155 1016 Y CA -1.082 56.889 58.100 -0.215 0.000 1.046 1016 Y CB 1.435 39.855 38.460 -0.068 0.000 1.303 1016 Y HN 0.661 nan 8.280 nan 0.000 0.460 1017 Q N 2.317 122.084 119.800 -0.056 0.000 2.418 1017 Q HA 0.811 5.151 4.340 0.000 0.000 0.282 1017 Q C -1.810 174.255 176.000 0.108 0.000 1.044 1017 Q CA -0.992 54.774 55.803 -0.061 0.000 0.813 1017 Q CB 3.581 32.336 28.738 0.028 0.000 1.428 1017 Q HN 0.743 nan 8.270 nan 0.000 0.402 1018 L N 0.188 121.463 121.223 0.087 0.000 2.479 1018 L HA 0.762 5.102 4.340 0.000 0.000 0.255 1018 L C -1.192 175.787 176.870 0.181 0.000 1.026 1018 L CA -1.216 53.720 54.840 0.160 0.000 0.842 1018 L CB 2.495 44.631 42.059 0.128 0.000 1.444 1018 L HN 0.345 nan 8.230 nan 0.000 0.409 1019 V N 0.287 120.341 119.914 0.233 0.000 2.531 1019 V HA 0.463 4.583 4.120 0.000 0.000 0.301 1019 V C -1.107 175.172 176.094 0.309 0.000 1.034 1019 V CA -0.392 62.056 62.300 0.246 0.000 0.865 1019 V CB 2.039 33.980 31.823 0.197 0.000 0.995 1019 V HN 0.607 nan 8.190 nan 0.000 0.424 1023 K N 0.000 120.352 120.400 -0.081 0.000 2.780 1023 K HA 0.000 4.320 4.320 0.000 0.000 0.191 1023 K CA 0.000 56.253 56.287 -0.057 0.000 0.838 1023 K CB 0.000 32.473 32.500 -0.044 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543