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 1gho_1_K 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 -2.321 112.264 114.554 0.052 0.000 3.081 4 T HA 0.219 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 68.506 68.868 0.023 0.000 0.962 4 T HN 0.247 nan 8.240 nan 0.000 0.516 5 D N 2.372 122.861 120.400 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 0.058 41.067 40.800 0.349 0.000 0.913 5 D HN 0.567 nan 8.370 nan 0.000 0.523 6 S N 0.066 115.858 115.700 0.154 0.000 2.548 6 S HA 0.086 4.556 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 -0.680 57.569 58.200 0.082 0.000 1.050 6 S CB 1.271 64.487 63.200 0.026 0.000 0.918 6 S HN -0.115 nan 8.310 nan 0.000 0.497 7 L N 3.574 124.826 121.223 0.048 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 2.504 57.378 54.840 0.057 0.000 0.758 7 L CB -1.541 40.503 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 1.739 53.778 52.037 0.003 0.000 0.646 8 A CB -0.571 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 -1.025 118.875 119.914 -0.023 0.000 2.341 9 V HA -0.129 3.991 4.120 -0.000 0.000 0.240 9 V C 2.540 178.562 176.094 -0.121 0.000 1.035 9 V CA 1.513 63.776 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 0.755 120.568 119.914 -0.168 0.000 2.250 10 V HA -0.297 3.822 4.120 -0.000 0.000 0.250 10 V C 2.162 178.134 176.094 -0.203 0.000 1.060 10 V CA 2.242 64.328 62.300 -0.357 0.000 1.030 10 V CB -0.694 30.870 31.823 -0.431 0.000 0.643 10 V HN 0.482 nan 8.190 nan 0.000 0.445 11 L N 0.282 121.495 121.223 -0.016 0.000 2.622 11 L HA -0.104 4.236 4.340 -0.000 0.000 0.233 11 L C 2.336 179.278 176.870 0.121 0.000 1.156 11 L CA 0.795 55.758 54.840 0.206 0.000 0.866 11 L CB -0.709 41.517 42.059 0.279 0.000 0.980 11 L HN 0.443 nan 8.230 nan 0.000 0.448 12 Q N 0.713 120.510 119.800 -0.005 0.000 2.137 12 Q HA -0.102 4.238 4.340 -0.000 0.000 0.198 12 Q C 2.306 178.248 176.000 -0.098 0.000 0.960 12 Q CA 1.182 56.963 55.803 -0.037 0.000 0.847 12 Q CB 0.021 28.729 28.738 -0.050 0.000 0.915 12 Q HN 0.191 nan 8.270 nan 0.000 0.448 13 R N 0.512 120.935 120.500 -0.129 0.000 2.096 13 R HA 0.010 4.350 4.340 -0.000 0.000 0.235 13 R C 0.285 176.416 176.300 -0.282 0.000 1.127 13 R CA 1.135 57.130 56.100 -0.174 0.000 0.968 13 R CB -0.231 29.965 30.300 -0.174 0.000 0.861 13 R HN 0.352 nan 8.270 nan 0.000 0.440 14 R N 0.783 121.031 120.500 -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 55.876 56.100 -1.057 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 -0.315 119.822 120.400 -0.438 0.000 2.221 15 D HA -0.186 4.454 4.640 -0.000 0.000 0.204 15 D C 1.588 177.850 176.300 -0.064 0.000 0.982 15 D CA 1.766 55.575 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 1.612 122.947 121.300 0.058 0.000 3.292 16 W HA 0.158 4.818 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 -0.213 57.259 57.345 0.213 0.000 1.663 16 W CB -0.263 29.354 29.460 0.263 0.000 1.114 16 W HN -0.163 nan 8.180 nan 0.000 0.706 17 E N 1.026 121.055 120.200 -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 -0.201 0.000 0.980 17 E CA -0.285 56.014 56.400 -0.170 0.000 1.259 17 E CB -0.173 29.471 29.700 -0.093 0.000 1.112 17 E HN 0.078 nan 8.360 nan 0.000 0.458 18 N N 1.242 119.850 118.700 -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 -1.933 50.994 53.050 -0.206 0.000 0.900 18 N CB 1.625 39.998 38.487 -0.189 0.000 1.484 18 N HN -0.227 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 0.169 31.094 31.700 -1.293 0.000 0.807 20 G N -0.345 108.274 108.800 -0.302 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 0.212 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 0.851 177.006 176.094 0.102 0.000 1.015 21 V CA 0.153 62.461 62.300 0.012 0.000 0.823 21 V CB 1.215 33.042 31.823 0.007 0.000 1.009 21 V HN 0.304 nan 8.190 nan 0.000 0.436 22 T N 0.743 115.341 114.554 0.074 0.000 2.985 22 T HA 0.352 4.702 4.350 -0.000 0.000 0.254 22 T C 0.275 174.988 174.700 0.020 0.000 1.021 22 T CA 0.218 62.352 62.100 0.055 0.000 0.957 22 T CB 0.386 69.248 68.868 -0.009 0.000 1.047 22 T HN 0.691 nan 8.240 nan 0.000 0.511 23 Q N 0.339 120.199 119.800 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 -1.096 54.751 55.803 0.073 0.000 0.768 23 Q CB 1.078 29.786 28.738 -0.049 0.000 1.472 23 Q HN 0.230 nan 8.270 nan 0.000 0.416 24 L N 1.704 123.071 121.223 0.240 0.000 2.580 24 L HA 0.559 4.899 4.340 -0.000 0.000 0.266 24 L C -0.790 176.226 176.870 0.244 0.000 0.955 24 L CA -0.805 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 0.575 119.377 118.700 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 0.128 0.000 1.078 25 N CA 0.730 53.880 53.050 0.167 0.000 0.804 25 N CB -0.744 37.829 38.487 0.143 0.000 1.135 25 N HN 0.691 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 0.699 176.853 176.300 -0.244 0.000 1.069 26 R CA -0.326 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 2.751 123.823 121.223 -0.251 0.000 2.479 27 L HA 0.329 4.669 4.340 -0.000 0.000 0.248 27 L C 0.755 177.588 176.870 -0.061 0.000 1.205 27 L CA -0.632 54.157 54.840 -0.085 0.000 0.817 27 L CB 0.466 42.513 42.059 -0.020 0.000 1.162 27 L HN 0.738 nan 8.230 nan 0.000 0.486 28 A N 0.487 123.314 122.820 0.012 0.000 2.366 28 A HA 0.554 4.873 4.320 -0.000 0.000 0.249 28 A C 0.157 177.785 177.584 0.074 0.000 1.084 28 A CA -0.023 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 0.728 123.542 122.820 -0.011 0.000 2.304 29 A HA 0.724 5.044 4.320 -0.000 0.000 0.271 29 A C 0.029 177.554 177.584 -0.099 0.000 1.091 29 A CA 0.363 52.320 52.037 -0.134 0.000 0.812 29 A CB -0.000 18.905 19.000 -0.159 0.000 1.056 29 A HN 1.791 nan 8.150 nan 0.000 0.489 30 H N -2.525 116.445 119.070 -0.167 0.000 2.904 30 H HA 0.597 5.153 4.556 -0.000 0.000 0.290 30 H C -3.352 171.749 175.328 -0.379 0.000 1.437 30 H CA -1.736 54.172 56.048 -0.233 0.000 1.147 30 H CB 0.015 29.604 29.762 -0.287 0.000 1.824 30 H HN 0.403 nan 8.280 nan 0.000 0.505 31 P HA 0.206 nan 4.420 nan 0.000 0.274 31 P C -2.591 174.459 177.300 -0.416 0.000 1.260 31 P CA -1.486 61.398 63.100 -0.360 0.000 0.793 31 P CB -0.377 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 0.103 0.000 1.226 32 P CA 0.774 63.822 63.100 -0.087 0.000 0.765 32 P CB -0.126 31.595 31.700 0.034 0.000 0.835 33 F N 1.389 121.461 119.950 0.203 0.000 2.492 33 F HA 0.584 5.111 4.527 -0.000 0.000 0.327 33 F C 1.137 176.889 175.800 -0.081 0.000 1.079 33 F CA -0.950 57.101 58.000 0.084 0.000 0.967 33 F CB 2.029 41.033 39.000 0.007 0.000 1.169 33 F HN 0.235 nan 8.300 nan 0.000 0.472 34 A N 0.565 123.353 122.820 -0.054 0.000 2.340 34 A HA 0.253 4.573 4.320 -0.000 0.000 0.213 34 A C 0.820 178.124 177.584 -0.467 0.000 1.299 34 A CA 0.486 52.233 52.037 -0.485 0.000 0.994 34 A CB -0.034 18.126 19.000 -1.399 0.000 1.132 34 A HN 0.772 nan 8.150 nan 0.000 0.519 35 S N -0.206 115.322 115.700 -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 -0.137 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 1.367 122.660 121.300 -0.011 0.000 2.148 36 W HA 0.163 4.823 4.660 -0.000 0.000 0.347 36 W C 1.546 178.058 176.519 -0.011 0.000 1.288 36 W CA -0.198 57.148 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 1.534 122.197 120.500 0.271 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 0.383 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 0.511 119.307 118.700 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 2.763 118.434 115.700 -0.049 0.000 2.359 39 S HA -0.159 4.311 4.470 -0.000 0.000 0.224 39 S C 1.178 175.637 174.600 -0.235 0.000 1.035 39 S CA 1.268 59.397 58.200 -0.117 0.000 1.018 39 S CB -0.208 62.958 63.200 -0.058 0.000 0.876 39 S HN 0.670 nan 8.310 nan 0.000 0.448 40 E N 0.935 121.018 120.200 -0.196 0.000 2.110 40 E HA -0.125 4.225 4.350 -0.000 0.000 0.193 40 E C 2.207 178.624 176.600 -0.304 0.000 0.988 40 E CA 1.158 57.405 56.400 -0.256 0.000 0.804 40 E CB -0.335 29.257 29.700 -0.180 0.000 0.745 40 E HN 0.753 nan 8.360 nan 0.000 0.458 41 E N 0.620 120.663 120.200 -0.262 0.000 2.051 41 E HA -0.157 4.193 4.350 -0.000 0.000 0.192 41 E C 2.081 178.195 176.600 -0.810 0.000 0.991 41 E CA 0.981 57.213 56.400 -0.281 0.000 0.799 41 E CB -0.082 29.619 29.700 0.003 0.000 0.748 41 E HN 0.178 nan 8.360 nan 0.000 0.449 42 A N 1.579 123.626 122.820 -1.288 0.000 1.902 42 A HA -0.216 4.104 4.320 -0.000 0.000 0.217 42 A C 2.104 179.067 177.584 -1.035 0.000 1.181 42 A CA 1.635 52.447 52.037 -2.043 0.000 0.623 42 A CB -0.506 17.810 19.000 -1.140 0.000 0.818 42 A HN 0.113 nan 8.150 nan 0.000 0.443 43 R N -0.074 120.032 120.500 -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 57.726 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 0.045 174.666 174.700 -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 54.409 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 4.832 4.340 -0.000 0.000 0.271 46 R C -2.123 174.439 176.300 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 1.797 117.488 115.700 -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 -0.024 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 0.352 56.236 55.803 0.135 0.000 0.932 49 Q CB -0.145 28.683 28.738 0.151 0.000 1.007 49 Q HN 0.782 nan 8.270 nan 0.000 0.508 50 Q N 0.494 120.357 119.800 0.104 0.000 2.365 50 Q HA 0.148 4.488 4.340 -0.000 0.000 0.203 50 Q C 0.012 176.054 176.000 0.070 0.000 0.929 50 Q CA 0.135 55.982 55.803 0.073 0.000 0.948 50 Q CB 0.101 28.777 28.738 -0.102 0.000 1.043 50 Q HN 0.160 nan 8.270 nan 0.000 0.505 51 L N 1.171 122.460 121.223 0.111 0.000 2.343 51 L HA 0.467 4.807 4.340 -0.000 0.000 0.278 51 L C -1.158 175.800 176.870 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 -0.910 175.429 176.300 0.066 0.000 0.969 52 R CA -0.592 55.586 56.100 0.130 0.000 0.879 52 R CB 2.265 32.659 30.300 0.157 0.000 1.178 52 R HN 0.691 nan 8.270 nan 0.000 0.445 53 S N 2.687 118.415 115.700 0.046 0.000 2.565 53 S HA 0.276 4.746 4.470 -0.000 0.000 0.274 53 S C 0.971 175.590 174.600 0.032 0.000 1.309 53 S CA -0.430 57.791 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 0.540 nan 8.310 nan 0.000 0.504 54 L N 3.453 124.705 121.223 0.048 0.000 2.857 54 L HA 0.285 4.625 4.340 -0.000 0.000 0.249 54 L C -0.019 177.060 176.870 0.347 0.000 1.172 54 L CA -0.255 54.648 54.840 0.106 0.000 0.980 54 L CB -0.331 41.761 42.059 0.055 0.000 1.299 54 L HN 0.498 nan 8.230 nan 0.000 0.535 55 N N 1.384 120.211 118.700 0.212 0.000 2.530 55 N HA 0.511 5.251 4.740 -0.000 0.000 0.273 55 N C 0.635 176.295 175.510 0.251 0.000 1.173 55 N CA 0.772 53.951 53.050 0.215 0.000 0.967 55 N CB 1.685 40.223 38.487 0.085 0.000 1.109 55 N HN 0.305 nan 8.380 nan 0.000 0.453 56 G N 0.770 109.755 108.800 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 -0.749 44.511 45.100 0.267 0.000 1.056 56 G HN 0.467 nan 8.290 nan 0.000 0.468 57 E N -0.307 120.086 120.200 0.322 0.000 2.313 57 E HA 0.529 4.879 4.350 -0.000 0.000 0.276 57 E C -1.131 175.738 176.600 0.449 0.000 1.031 57 E CA -0.127 56.470 56.400 0.328 0.000 0.857 57 E CB 0.810 30.616 29.700 0.177 0.000 1.040 57 E HN 0.383 nan 8.360 nan 0.000 0.408 58 W N 1.654 123.043 121.300 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 56.722 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 1.604 122.367 120.500 0.437 0.000 2.428 59 R HA 0.656 4.996 4.340 -0.000 0.000 0.294 59 R C -1.400 175.102 176.300 0.338 0.000 1.000 59 R CA -0.782 55.508 56.100 0.318 0.000 0.960 59 R CB 1.575 32.008 30.300 0.221 0.000 1.076 59 R HN 0.450 nan 8.270 nan 0.000 0.475 60 F N 0.523 120.492 119.950 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 2.082 40.852 39.000 -0.383 0.000 1.230 60 F HN 0.680 nan 8.300 nan 0.000 0.450 61 A N 4.226 126.165 122.820 -1.468 0.000 2.549 61 A HA 0.601 4.921 4.320 -0.000 0.000 0.297 61 A C -2.493 174.217 177.584 -1.457 0.000 1.061 61 A CA -0.560 50.802 52.037 -1.124 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 1.818 122.339 121.300 -1.299 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 -0.991 0.000 1.060 62 W CA -0.442 56.303 57.345 -1.001 0.000 1.218 62 W CB 1.449 30.506 29.460 -0.671 0.000 1.410 62 W HN 0.519 nan 8.180 nan 0.000 0.528 63 F N 4.804 124.119 119.950 -1.059 0.000 2.631 63 F HA 0.349 4.875 4.527 -0.000 0.000 0.308 63 F C -1.533 173.456 175.800 -1.352 0.000 1.097 63 F CA -2.390 55.115 58.000 -0.824 0.000 0.952 63 F CB 1.394 40.074 39.000 -0.534 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 -0.158 0.000 1.153 64 P CA 1.038 63.958 63.100 -0.301 0.000 0.777 64 P CB 0.578 32.318 31.700 0.066 0.000 0.794 65 A N -1.050 121.683 122.820 -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 -0.163 0.000 1.062 65 A CA -1.088 50.892 52.037 -0.094 0.000 0.682 65 A CB 0.610 19.615 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 1.647 64.601 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 0.288 120.445 120.200 -0.072 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 28.825 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 0.847 178.253 177.584 -0.297 0.000 1.158 68 A CA 0.072 52.065 52.037 -0.072 0.000 0.761 68 A CB -0.011 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 -2.132 173.747 176.094 -0.358 0.000 1.039 69 V CA -1.308 60.487 62.300 -0.842 0.000 1.055 69 V CB 0.756 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 1.642 33.339 31.700 -0.006 0.000 0.992 71 E N 1.716 121.889 120.200 -0.045 0.000 2.169 71 E HA -0.234 4.116 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 -0.202 115.486 115.700 -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 -0.038 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 2.694 123.903 121.300 -0.153 0.000 2.292 73 W HA -0.185 4.475 4.660 -0.000 0.000 0.304 73 W C 1.589 177.993 176.519 -0.192 0.000 1.228 73 W CA 1.103 58.349 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 -0.537 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 1.505 55.926 54.840 -0.700 0.000 0.752 74 L CB -0.670 41.038 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 0.272 176.780 176.600 -0.153 0.000 0.951 75 E CA 0.388 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 2.219 121.440 119.300 -0.131 0.000 2.563 76 C HA 0.362 4.822 4.460 -0.000 0.000 0.314 76 C C -0.092 174.884 174.990 -0.022 0.000 1.199 76 C CA -1.307 57.671 59.018 -0.067 0.000 1.564 76 C CB 1.444 29.168 27.740 -0.027 0.000 2.173 76 C HN 0.214 nan 8.230 nan 0.000 0.485 77 D N 1.603 122.009 120.400 0.011 0.000 2.419 77 D HA 0.193 4.833 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 54.561 54.000 0.096 0.000 0.882 77 D CB 0.621 41.474 40.800 0.088 0.000 1.201 77 D HN 0.367 nan 8.370 nan 0.000 0.443 78 L N 2.511 123.836 121.223 0.171 0.000 2.421 78 L HA 0.206 4.545 4.340 -0.000 0.000 0.263 78 L C -1.027 175.888 176.870 0.075 0.000 1.122 78 L CA -1.541 53.373 54.840 0.124 0.000 0.804 78 L CB 0.622 42.763 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 0.635 177.951 177.300 0.027 0.000 1.154 79 P CA 1.033 64.155 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 0.066 120.277 120.200 0.018 0.000 2.502 80 E HA 0.263 4.613 4.350 -0.000 0.000 0.194 80 E C 0.756 177.351 176.600 -0.008 0.000 1.062 80 E CA -0.141 56.257 56.400 -0.003 0.000 0.867 80 E CB -0.492 29.191 29.700 -0.030 0.000 0.888 80 E HN 0.177 nan 8.360 nan 0.000 0.510 81 A N 1.541 124.369 122.820 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 -0.395 51.651 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 0.540 121.003 120.400 0.105 0.000 2.387 82 D HA 0.417 5.057 4.640 -0.000 0.000 0.255 82 D C -0.516 175.881 176.300 0.163 0.000 1.081 82 D CA 0.108 54.196 54.000 0.146 0.000 0.994 82 D CB 1.336 42.269 40.800 0.221 0.000 1.127 82 D HN 0.423 nan 8.370 nan 0.000 0.513 83 T N 0.800 115.435 114.554 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 1.078 70.009 68.868 0.106 0.000 0.927 83 T HN 0.016 nan 8.240 nan 0.000 0.448 84 V N 3.703 123.721 119.914 0.173 0.000 3.001 84 V HA 0.513 4.633 4.120 -0.000 0.000 0.314 84 V C -0.265 175.938 176.094 0.181 0.000 1.099 84 V CA -0.801 61.564 62.300 0.108 0.000 0.989 84 V CB 2.589 34.488 31.823 0.127 0.000 1.040 84 V HN 0.631 nan 8.190 nan 0.000 0.434 85 V N 3.472 123.467 119.914 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 1.632 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 7.612 127.535 119.914 0.015 0.000 2.487 86 V HA 0.478 4.598 4.120 -0.000 0.000 0.298 86 V C -2.253 173.754 176.094 -0.145 0.000 1.028 86 V CA -1.592 60.586 62.300 -0.205 0.000 0.860 86 V CB 2.462 33.811 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 -0.901 176.351 177.300 -0.079 0.000 1.259 87 P CA -0.301 62.706 63.100 -0.155 0.000 0.826 87 P CB 1.740 33.350 31.700 -0.149 0.000 1.064 88 S N -0.081 115.590 115.700 -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 57.145 58.200 -0.071 0.000 0.821 88 S CB 0.102 63.256 63.200 -0.076 0.000 1.099 88 S HN 0.357 nan 8.310 nan 0.000 0.471 89 N N 1.035 119.621 118.700 -0.189 0.000 2.417 89 N HA 0.448 5.188 4.740 -0.000 0.000 0.274 89 N C 0.431 175.793 175.510 -0.247 0.000 0.987 89 N CA -0.759 52.155 53.050 -0.227 0.000 0.912 89 N CB 0.759 39.069 38.487 -0.294 0.000 1.177 89 N HN 0.828 nan 8.380 nan 0.000 0.490 90 W N 2.782 123.962 121.300 -0.199 0.000 2.421 90 W HA -0.091 4.569 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 0.914 58.140 57.345 -0.198 0.000 1.226 90 W CB -0.386 28.887 29.460 -0.311 0.000 1.121 90 W HN 0.509 nan 8.180 nan 0.000 0.579 91 Q N 0.295 120.085 119.800 -0.016 0.000 2.224 91 Q HA -0.104 4.236 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 1.593 57.406 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 -0.937 118.572 119.600 -0.151 0.000 2.630 92 M HA -0.024 4.456 4.480 -0.000 0.000 0.254 92 M C 0.473 176.772 176.300 -0.001 0.000 1.092 92 M CA 1.264 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 -1.619 117.486 119.070 0.059 0.000 2.755 93 H HA 0.357 4.913 4.556 -0.000 0.000 0.273 93 H C 1.322 176.542 175.328 -0.180 0.000 1.055 93 H CA 0.192 56.254 56.048 0.023 0.000 1.191 93 H CB 0.733 30.609 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 -0.359 3.601 3.960 -0.000 0.000 0.224 94 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.224 94 G C 0.530 175.287 174.900 -0.238 0.000 0.990 94 G CA 0.279 45.276 45.100 -0.171 0.000 0.639 94 G HN 0.406 nan 8.290 nan 0.000 0.514 95 Y N 2.153 122.423 120.300 -0.050 0.000 2.165 95 Y HA 0.201 4.751 4.550 -0.000 0.000 0.286 95 Y C 1.676 177.297 175.900 -0.465 0.000 1.155 95 Y CA 1.615 59.511 58.100 -0.340 0.000 1.164 95 Y CB -0.197 37.982 38.460 -0.467 0.000 0.978 95 Y HN 0.634 nan 8.280 nan 0.000 0.513 96 D N -2.315 118.163 120.400 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 -0.817 53.283 54.000 0.166 0.000 0.852 96 D CB 0.806 41.877 40.800 0.450 0.000 1.375 96 D HN 0.039 nan 8.370 nan 0.000 0.453 97 A N -0.245 122.681 122.820 0.175 0.000 2.304 97 A HA 0.717 5.037 4.320 -0.000 0.000 0.301 97 A C -2.431 175.193 177.584 0.067 0.000 1.132 97 A CA -1.244 50.870 52.037 0.128 0.000 0.819 97 A CB 0.150 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 0.246 0.000 1.238 98 P CA 0.061 63.109 63.100 -0.085 0.000 0.794 98 P CB 0.703 32.102 31.700 -0.503 0.000 0.955 99 I N 2.403 123.204 120.570 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 60.583 61.300 0.377 0.000 1.144 99 I CB 1.623 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 5.587 125.852 120.300 -0.059 0.000 2.842 100 Y HA 0.427 4.977 4.550 -0.000 0.000 0.334 100 Y C -0.249 175.496 175.900 -0.258 0.000 1.019 100 Y CA -0.324 57.462 58.100 -0.524 0.000 1.258 100 Y CB 0.973 38.499 38.460 -1.556 0.000 1.106 100 Y HN 0.549 nan 8.280 nan 0.000 0.545 101 T N 3.866 117.904 114.554 -0.861 0.000 2.887 101 T HA 0.270 4.620 4.350 -0.000 0.000 0.288 101 T C 0.329 174.521 174.700 -0.847 0.000 1.021 101 T CA -0.507 61.142 62.100 -0.753 0.000 1.000 101 T CB 1.397 70.045 68.868 -0.366 0.000 1.034 101 T HN 0.867 nan 8.240 nan 0.000 0.467 102 N N 2.096 120.373 118.700 -0.704 0.000 2.335 102 N HA 0.034 4.773 4.740 -0.000 0.000 0.197 102 N C 1.455 176.692 175.510 -0.455 0.000 1.045 102 N CA 0.483 53.233 53.050 -0.500 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 0.487 120.068 119.914 -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 0.776 62.653 62.300 -0.706 0.000 1.052 103 V CB -0.059 31.276 31.823 -0.814 0.000 0.707 103 V HN 0.321 nan 8.190 nan 0.000 0.469 104 T N 1.224 115.520 114.554 -0.429 0.000 2.867 104 T HA 0.115 4.465 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 0.326 62.253 62.100 -0.287 0.000 1.159 104 T CB -0.341 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 5.201 125.392 120.300 -0.182 0.000 2.597 105 Y HA 0.111 4.661 4.550 -0.000 0.000 0.336 105 Y C -0.875 174.887 175.900 -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 0.166 177.278 177.300 -0.314 0.000 1.148 106 P CA 1.362 64.353 63.100 -0.183 0.000 0.803 106 P CB 0.149 31.749 31.700 -0.167 0.000 0.782 107 I N -4.400 115.902 120.570 -0.446 0.000 3.205 107 I HA 0.462 4.632 4.170 -0.000 0.000 0.310 107 I C -0.482 175.496 176.117 -0.232 0.000 1.089 107 I CA -1.042 59.983 61.300 -0.457 0.000 1.023 107 I CB 1.264 38.831 38.000 -0.721 0.000 1.269 107 I HN -0.418 nan 8.210 nan 0.000 0.512 108 T N 2.232 116.690 114.554 -0.160 0.000 2.884 108 T HA 0.242 4.592 4.350 -0.000 0.000 0.298 108 T C 0.140 174.820 174.700 -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 70.002 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 0.220 4.340 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 62.149 62.300 0.033 0.000 1.028 109 V CB -0.679 31.146 31.823 0.003 0.000 1.170 109 V HN 0.810 nan 8.190 nan 0.000 0.494 110 N N 5.404 124.208 118.700 0.173 0.000 2.673 110 N HA 0.277 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 -1.455 51.685 53.050 0.149 0.000 0.792 110 N CB 1.463 40.094 38.487 0.240 0.000 1.286 110 N HN 0.249 nan 8.380 nan 0.000 0.506 111 P HA 0.151 nan 4.420 nan 0.000 0.262 111 P C -2.291 174.719 177.300 -0.483 0.000 1.182 111 P CA -0.688 61.949 63.100 -0.772 0.000 0.761 111 P CB 0.436 31.554 31.700 -0.970 0.000 0.795 112 P HA 0.250 nan 4.420 nan 0.000 0.266 112 P C -0.566 176.573 177.300 -0.268 0.000 1.561 112 P CA -0.344 62.500 63.100 -0.426 0.000 1.089 112 P CB 0.025 31.499 31.700 -0.377 0.000 1.534 113 F N -0.326 119.734 119.950 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 -0.835 57.283 58.000 0.196 0.000 1.196 113 F CB 0.988 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 3.178 123.381 119.914 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 2.097 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 0.703 178.163 177.300 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 32.428 31.700 0.132 0.000 0.977 116 T N -1.054 113.621 114.554 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 1.114 63.332 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 2.835 123.153 120.200 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 0.192 0.000 0.862 117 E CB 0.440 30.259 29.700 0.199 0.000 1.066 117 E HN 0.366 nan 8.360 nan 0.000 0.396 118 N N 3.623 122.424 118.700 0.168 0.000 2.577 118 N HA 0.266 5.006 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 1.149 39.778 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 -0.650 176.524 177.300 -0.208 0.000 1.141 119 P CA 0.623 63.599 63.100 -0.207 0.000 0.858 119 P CB -0.107 31.748 31.700 0.257 0.000 0.804 120 T N 2.849 117.089 114.554 -0.525 0.000 2.837 120 T HA 0.550 4.900 4.350 -0.000 0.000 0.285 120 T C 0.691 174.953 174.700 -0.730 0.000 0.984 120 T CA -0.394 61.445 62.100 -0.435 0.000 1.049 120 T CB 1.345 69.969 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 -0.322 0.000 1.333 121 G CA -0.486 44.203 45.100 -0.683 0.000 0.973 121 G HN 0.899 nan 8.290 nan 0.000 0.507 122 C N 3.024 121.892 119.300 -0.720 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 -1.035 57.582 59.018 -0.668 0.000 1.730 122 C CB -1.750 24.993 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 0.762 177.120 175.900 0.762 0.000 1.119 123 Y CA -0.431 58.006 58.100 0.562 0.000 1.143 123 Y CB 1.485 40.289 38.460 0.573 0.000 1.230 123 Y HN 0.732 nan 8.280 nan 0.000 0.469 124 S N 1.910 118.116 115.700 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 1.884 65.307 63.200 0.372 0.000 1.115 124 S HN 0.752 nan 8.310 nan 0.000 0.461 125 L N 0.663 121.809 121.223 -0.129 0.000 2.513 125 L HA 0.781 5.120 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 5.235 119.769 114.554 -0.032 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 -0.078 62.046 62.100 0.040 0.000 0.957 126 T CB 0.378 69.225 68.868 -0.034 0.000 0.930 126 T HN 0.487 nan 8.240 nan 0.000 0.443 127 F N 0.849 120.715 119.950 -0.140 0.000 2.685 127 F HA 0.734 5.261 4.527 -0.000 0.000 0.315 127 F C -0.918 174.822 175.800 -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 -0.144 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 -1.644 173.788 175.510 -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 -0.116 0.000 1.185 128 N HN 0.576 nan 8.380 nan 0.000 0.487 129 V N 1.494 121.295 119.914 -0.188 0.000 2.495 129 V HA 0.243 4.363 4.120 -0.000 0.000 0.298 129 V C -0.246 175.713 176.094 -0.224 0.000 1.031 129 V CA -0.951 61.246 62.300 -0.170 0.000 0.871 129 V CB 1.519 33.305 31.823 -0.061 0.000 0.988 129 V HN 0.661 nan 8.190 nan 0.000 0.432 130 D N 3.182 123.337 120.400 -0.407 0.000 2.424 130 D HA -0.014 4.626 4.640 -0.000 0.000 0.244 130 D C 1.300 177.506 176.300 -0.157 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 2.235 122.390 120.200 -0.076 0.000 2.347 131 E HA -0.195 4.155 4.350 -0.000 0.000 0.196 131 E C 1.359 177.987 176.600 0.047 0.000 1.008 131 E CA 0.776 57.174 56.400 -0.004 0.000 0.852 131 E CB -0.031 29.664 29.700 -0.007 0.000 0.783 131 E HN 0.367 nan 8.360 nan 0.000 0.505 132 S N 0.339 116.065 115.700 0.043 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 1.308 59.569 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 1.388 122.547 121.300 -0.236 0.000 2.392 133 W HA 0.196 4.855 4.660 -0.000 0.000 0.279 133 W C 2.120 178.587 176.519 -0.087 0.000 1.225 133 W CA 0.087 57.164 57.345 -0.447 0.000 1.233 133 W CB -0.801 28.425 29.460 -0.390 0.000 1.122 133 W HN 0.338 nan 8.180 nan 0.000 0.561 134 L N -0.540 120.813 121.223 0.217 0.000 2.341 134 L HA -0.138 4.202 4.340 -0.000 0.000 0.214 134 L C 2.197 179.142 176.870 0.125 0.000 1.115 134 L CA 0.875 55.814 54.840 0.165 0.000 0.820 134 L CB -0.255 41.871 42.059 0.112 0.000 0.944 134 L HN 0.000 nan 8.230 nan 0.000 0.452 135 Q N -0.262 119.606 119.800 0.112 0.000 2.008 135 Q HA -0.084 4.256 4.340 -0.000 0.000 0.196 135 Q C 0.841 176.898 176.000 0.094 0.000 0.973 135 Q CA 0.897 56.752 55.803 0.086 0.000 0.826 135 Q CB 0.013 28.791 28.738 0.068 0.000 0.894 135 Q HN 0.193 nan 8.270 nan 0.000 0.439 136 E N 0.591 120.865 120.200 0.122 0.000 2.235 136 E HA 0.464 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 0.014 56.484 56.400 0.116 0.000 0.819 136 E CB 1.265 31.019 29.700 0.089 0.000 1.206 136 E HN 0.287 nan 8.360 nan 0.000 0.409 137 G N 1.887 110.712 108.800 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 -1.293 174.600 176.000 -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 4.965 119.543 114.554 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 3.169 123.726 120.500 0.094 0.000 2.854 140 R HA 0.757 5.097 4.340 -0.000 0.000 0.271 140 R C -1.230 175.136 176.300 0.111 0.000 0.994 140 R CA -0.979 55.192 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 -1.029 175.096 176.117 0.014 0.000 0.989 141 I CA -1.364 59.951 61.300 0.025 0.000 1.173 141 I CB 1.398 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 7.224 127.700 120.570 -0.158 0.000 2.447 142 I HA 0.284 4.454 4.170 -0.000 0.000 0.287 142 I C -1.255 174.654 176.117 -0.346 0.000 1.023 142 I CA -0.407 60.816 61.300 -0.129 0.000 1.083 142 I CB 1.554 39.515 38.000 -0.064 0.000 1.245 142 I HN 0.369 nan 8.210 nan 0.000 0.434 143 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 1.320 177.026 175.800 -0.156 0.000 1.115 143 F CA -0.493 57.447 58.000 -0.099 0.000 1.116 143 F CB 0.735 39.651 39.000 -0.141 0.000 1.230 143 F HN 0.461 nan 8.300 nan 0.000 0.484 144 D N 2.335 122.690 120.400 -0.075 0.000 2.263 144 D HA 0.016 4.656 4.640 -0.000 0.000 0.208 144 D C 1.003 177.158 176.300 -0.243 0.000 0.971 144 D CA 1.059 54.961 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 0.649 nan 8.370 nan 0.000 0.492 145 G N -0.882 107.704 108.800 -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 -1.621 172.907 174.900 -0.619 0.000 1.396 145 G CA -0.515 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 2.384 122.153 119.914 -0.241 0.000 2.612 146 V HA 0.556 4.676 4.120 -0.000 0.000 0.301 146 V C -0.897 175.259 176.094 0.103 0.000 1.059 146 V CA -1.164 61.030 62.300 -0.177 0.000 0.886 146 V CB 1.949 33.398 31.823 -0.623 0.000 1.007 146 V HN 0.756 nan 8.190 nan 0.000 0.426 147 N N 2.352 121.144 118.700 0.152 0.000 2.372 147 N HA 0.366 5.106 4.740 -0.000 0.000 0.285 147 N C 0.621 176.081 175.510 -0.082 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 2.056 117.736 115.700 -0.033 0.000 2.505 148 S HA 0.541 5.011 4.470 -0.000 0.000 0.216 148 S C 0.321 174.986 174.600 0.108 0.000 1.018 148 S CA 0.218 58.449 58.200 0.052 0.000 0.911 148 S CB 0.240 63.487 63.200 0.079 0.000 0.818 148 S HN 0.697 nan 8.310 nan 0.000 0.497 149 A N 0.724 123.621 122.820 0.129 0.000 2.606 149 A HA 0.795 5.115 4.320 -0.000 0.000 0.293 149 A C -1.266 176.461 177.584 0.239 0.000 1.082 149 A CA -0.934 51.166 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 1.188 nan 8.150 nan 0.000 0.408 150 F N -0.660 119.168 119.950 -0.203 0.000 2.725 150 F HA 0.696 5.223 4.527 -0.000 0.000 0.309 150 F C -1.364 174.442 175.800 0.009 0.000 1.132 150 F CA -0.778 57.191 58.000 -0.052 0.000 0.957 150 F CB 1.016 39.956 39.000 -0.101 0.000 1.286 150 F HN 0.643 nan 8.300 nan 0.000 0.440 151 H N 2.025 121.291 119.070 0.326 0.000 2.499 151 H HA 0.773 5.329 4.556 -0.000 0.000 0.340 151 H C -1.422 173.974 175.328 0.112 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 2.405 123.524 121.223 -0.173 0.000 2.408 152 L HA 0.414 4.753 4.340 -0.000 0.000 0.268 152 L C -1.737 174.877 176.870 -0.426 0.000 0.986 152 L CA -0.529 54.242 54.840 -0.115 0.000 0.820 152 L CB 1.728 43.587 42.059 -0.333 0.000 1.303 152 L HN 0.513 nan 8.230 nan 0.000 0.411 153 W N 4.191 125.465 121.300 -0.043 0.000 2.761 153 W HA 0.624 5.284 4.660 -0.000 0.000 0.340 153 W C -1.139 175.314 176.519 -0.111 0.000 1.072 153 W CA -0.789 56.500 57.345 -0.094 0.000 1.215 153 W CB 2.095 31.529 29.460 -0.043 0.000 1.420 153 W HN 0.646 nan 8.180 nan 0.000 0.519 154 C N 4.835 124.206 119.300 0.119 0.000 2.397 154 C HA 0.298 4.758 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 0.090 0.000 1.377 154 C CB -0.497 27.219 27.740 -0.040 0.000 2.038 154 C HN 0.808 nan 8.230 nan 0.000 0.457 155 N N 3.712 122.480 118.700 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 2.065 55.161 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 0.549 45.690 45.100 0.069 0.000 0.625 156 G HN 0.550 nan 8.290 nan 0.000 0.527 157 R N -0.705 120.020 120.500 0.376 0.000 2.312 157 R HA 0.415 4.755 4.340 -0.000 0.000 0.311 157 R C -0.149 176.431 176.300 0.466 0.000 1.004 157 R CA -0.857 55.537 56.100 0.490 0.000 0.902 157 R CB 0.747 31.371 30.300 0.540 0.000 1.073 157 R HN 0.250 nan 8.270 nan 0.000 0.457 158 W N 4.187 125.619 121.300 0.220 0.000 2.308 158 W HA 0.055 4.715 4.660 -0.000 0.000 0.324 158 W C 0.025 176.387 176.519 -0.263 0.000 1.387 158 W CA 0.065 57.167 57.345 -0.405 0.000 1.250 158 W CB 0.616 29.849 29.460 -0.378 0.000 1.257 158 W HN 0.354 nan 8.180 nan 0.000 0.554 159 V N 5.519 124.578 119.914 -1.425 0.000 2.806 159 V HA 0.542 4.662 4.120 -0.000 0.000 0.239 159 V C 1.081 176.202 176.094 -1.623 0.000 1.113 159 V CA 0.973 62.490 62.300 -1.304 0.000 1.137 159 V CB -0.362 30.764 31.823 -1.162 0.000 0.865 159 V HN 0.801 nan 8.190 nan 0.000 0.482 160 G N -1.675 105.945 108.800 -1.966 0.000 2.340 160 G HA2 0.462 4.422 3.960 -0.000 0.000 0.299 160 G HA3 0.462 4.422 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 -1.135 0.000 0.841 160 G HN -0.017 nan 8.290 nan 0.000 0.500 161 Y N -0.542 119.647 120.300 -0.186 0.000 2.562 161 Y HA 0.727 5.277 4.550 -0.000 0.000 0.345 161 Y C -0.074 175.651 175.900 -0.292 0.000 1.045 161 Y CA -0.144 57.761 58.100 -0.326 0.000 1.028 161 Y CB 2.267 40.664 38.460 -0.105 0.000 1.297 161 Y HN 1.291 nan 8.280 nan 0.000 0.463 162 G N 3.498 111.469 108.800 -1.383 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 43.663 45.100 -0.893 0.000 0.942 162 G HN 0.605 nan 8.290 nan 0.000 0.510 163 Q N -0.033 119.549 119.800 -0.363 0.000 2.496 163 Q HA 0.607 4.947 4.340 -0.000 0.000 0.286 163 Q C -1.331 174.657 176.000 -0.020 0.000 1.103 163 Q CA -0.882 54.832 55.803 -0.148 0.000 0.813 163 Q CB 2.736 31.433 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 -0.402 175.956 176.300 0.096 0.000 1.104 164 D CA 0.550 54.596 54.000 0.077 0.000 1.101 164 D CB -0.680 40.151 40.800 0.051 0.000 0.749 164 D HN 0.569 nan 8.370 nan 0.000 0.351 165 S N 3.111 118.884 115.700 0.122 0.000 2.500 165 S HA -0.162 4.308 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 0.997 59.299 58.200 0.169 0.000 0.951 165 S CB 0.025 63.316 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 0.141 176.500 176.300 0.099 0.000 0.897 166 R CA 0.070 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 1.916 123.173 121.223 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 -2.694 52.152 54.840 0.011 0.000 0.820 167 L CB 2.444 44.501 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 -0.045 63.027 63.100 -0.047 0.000 0.765 168 P CB 0.651 32.288 31.700 -0.105 0.000 0.823 169 S N 2.065 117.809 115.700 0.073 0.000 2.449 169 S HA 0.344 4.814 4.470 -0.000 0.000 0.310 169 S C -0.349 174.262 174.600 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 64.244 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 0.615 4.965 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 -0.628 55.675 56.400 -0.161 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 0.160 120.168 119.950 0.097 0.000 2.588 171 F HA 0.246 4.773 4.527 -0.000 0.000 0.310 171 F C -0.071 175.759 175.800 0.049 0.000 1.082 171 F CA -1.255 56.776 58.000 0.050 0.000 0.929 171 F CB 1.185 40.184 39.000 -0.002 0.000 1.254 171 F HN 0.235 nan 8.300 nan 0.000 0.455 172 D N 2.211 122.770 120.400 0.265 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 -0.037 4.303 4.340 -0.000 0.000 0.225 173 L C 2.217 179.338 176.870 0.419 0.000 1.104 173 L CA -0.085 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 1.274 117.148 115.700 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 2.136 60.466 58.200 0.217 0.000 1.146 174 S CB -0.323 62.963 63.200 0.144 0.000 1.042 174 S HN 0.584 nan 8.310 nan 0.000 0.448 175 A N -0.932 121.990 122.820 0.171 0.000 2.307 175 A HA 0.455 4.775 4.320 -0.000 0.000 0.218 175 A C 0.928 178.388 177.584 -0.207 0.000 1.228 175 A CA 0.030 52.028 52.037 -0.064 0.000 0.857 175 A CB -0.275 18.564 19.000 -0.269 0.000 0.897 175 A HN 0.473 nan 8.150 nan 0.000 0.495 176 F N -1.043 118.948 119.950 0.068 0.000 2.746 176 F HA 0.370 4.897 4.527 -0.000 0.000 0.313 176 F C 0.507 176.341 175.800 0.056 0.000 1.095 176 F CA -0.655 57.381 58.000 0.061 0.000 1.224 176 F CB -0.013 39.026 39.000 0.065 0.000 1.060 176 F HN -0.057 nan 8.300 nan 0.000 0.584 177 L N 1.980 123.365 121.223 0.270 0.000 2.397 177 L HA 0.344 4.684 4.340 -0.000 0.000 0.271 177 L C 0.414 177.334 176.870 0.082 0.000 1.148 177 L CA -0.066 54.873 54.840 0.165 0.000 0.825 177 L CB 0.731 42.908 42.059 0.197 0.000 1.117 177 L HN 0.033 nan 8.230 nan 0.000 0.456 178 R N 1.459 121.969 120.500 0.018 0.000 2.787 178 R HA 0.681 5.021 4.340 -0.000 0.000 0.271 178 R C -0.543 175.733 176.300 -0.040 0.000 0.993 178 R CA -0.890 55.201 56.100 -0.015 0.000 0.993 178 R CB 1.797 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 0.705 52.712 52.037 -0.049 0.000 0.791 179 A CB 0.127 19.108 19.000 -0.032 0.000 1.029 179 A HN 0.870 nan 8.150 nan 0.000 0.489 180 G N 1.045 109.780 108.800 -0.108 0.000 2.536 180 G HA2 -0.214 3.745 3.960 -0.000 0.000 0.277 180 G HA3 -0.214 3.745 3.960 -0.000 0.000 0.277 180 G C 0.081 174.858 174.900 -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 2.333 122.419 120.200 -0.191 0.000 2.265 181 E HA 0.256 4.606 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 0.023 56.275 56.400 -0.248 0.000 0.900 181 E CB 0.113 29.715 29.700 -0.164 0.000 1.017 181 E HN 0.368 nan 8.360 nan 0.000 0.431 182 N N 2.790 121.143 118.700 -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 52.058 53.050 -0.604 0.000 0.793 182 N CB 2.182 40.085 38.487 -0.973 0.000 1.366 182 N HN 0.285 nan 8.380 nan 0.000 0.493 183 R N 1.539 121.944 120.500 -0.159 0.000 2.532 183 R HA 0.444 4.784 4.340 -0.000 0.000 0.297 183 R C -1.178 175.202 176.300 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 2.991 124.349 121.223 0.225 0.000 2.307 184 L HA 0.641 4.981 4.340 -0.000 0.000 0.282 184 L C -0.094 176.866 176.870 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 3.679 126.592 122.820 0.156 0.000 2.375 185 A HA 0.670 4.990 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 1.241 19.674 19.000 -0.946 0.000 1.170 185 A HN 0.380 nan 8.150 nan 0.000 0.458 186 V N 3.533 123.928 119.914 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 1.203 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 6.439 126.524 119.600 0.809 0.000 2.061 187 M HA 0.554 5.034 4.480 -0.000 0.000 0.346 187 M C -1.284 175.250 176.300 0.390 0.000 1.112 187 M CA -0.318 55.273 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 6.766 126.869 119.914 0.314 0.000 2.439 188 V HA 0.417 4.537 4.120 -0.000 0.000 0.282 188 V C 0.032 176.278 176.094 0.253 0.000 1.039 188 V CA -0.743 61.741 62.300 0.307 0.000 0.913 188 V CB 1.182 33.226 31.823 0.368 0.000 0.983 188 V HN 0.791 nan 8.190 nan 0.000 0.460 189 L N 3.750 125.059 121.223 0.143 0.000 2.334 189 L HA 0.627 4.967 4.340 -0.000 0.000 0.275 189 L C 1.284 178.131 176.870 -0.038 0.000 1.036 189 L CA -0.728 54.121 54.840 0.015 0.000 0.807 189 L CB 1.319 43.269 42.059 -0.183 0.000 1.231 189 L HN 0.539 nan 8.230 nan 0.000 0.438 190 R N 1.637 122.022 120.500 -0.191 0.000 2.055 190 R HA 0.024 4.364 4.340 -0.000 0.000 0.228 190 R C -0.282 175.677 176.300 -0.568 0.000 1.143 190 R CA 1.410 57.138 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 -0.059 176.570 176.519 0.183 0.000 1.086 191 W CA -0.847 56.560 57.345 0.103 0.000 1.222 191 W CB 1.460 30.985 29.460 0.110 0.000 1.304 191 W HN 0.046 nan 8.180 nan 0.000 0.547 192 S N -0.901 115.085 115.700 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 -0.544 57.949 58.200 0.488 0.000 0.818 192 S CB 1.296 64.747 63.200 0.419 0.000 1.157 192 S HN 0.619 nan 8.310 nan 0.000 0.482 193 D N 0.557 121.206 120.400 0.415 0.000 2.218 193 D HA 0.040 4.680 4.640 -0.000 0.000 0.204 193 D C 1.816 178.417 176.300 0.501 0.000 0.976 193 D CA 1.266 55.547 54.000 0.468 0.000 0.853 193 D CB -0.801 40.147 40.800 0.246 0.000 0.939 193 D HN 0.700 nan 8.370 nan 0.000 0.481 194 G N 0.054 109.067 108.800 0.356 0.000 2.462 194 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.220 194 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.220 194 G C 1.726 176.801 174.900 0.292 0.000 1.121 194 G CA 0.842 46.123 45.100 0.303 0.000 0.758 194 G HN 0.324 nan 8.290 nan 0.000 0.559 195 S N -0.143 115.716 115.700 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 0.765 59.083 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 1.016 121.419 120.300 0.172 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 38.205 38.460 -0.151 0.000 0.983 196 Y HN 0.194 nan 8.280 nan 0.000 0.556 197 L N -0.205 121.201 121.223 0.305 0.000 2.769 197 L HA 0.150 4.490 4.340 -0.000 0.000 0.240 197 L C 0.034 177.037 176.870 0.222 0.000 1.163 197 L CA 0.345 55.322 54.840 0.228 0.000 0.962 197 L CB 0.124 42.316 42.059 0.221 0.000 1.258 197 L HN 0.157 nan 8.230 nan 0.000 0.513 198 E N -0.297 120.050 120.200 0.244 0.000 3.646 198 E HA 0.042 4.391 4.350 -0.000 0.000 0.211 198 E C -0.455 176.251 176.600 0.176 0.000 1.034 198 E CA -0.071 56.457 56.400 0.213 0.000 1.341 198 E CB 0.530 30.349 29.700 0.199 0.000 1.202 198 E HN 0.029 nan 8.360 nan 0.000 0.447 199 D N 1.344 121.811 120.400 0.112 0.000 2.519 199 D HA 0.014 4.654 4.640 -0.000 0.000 0.238 199 D C -0.173 176.118 176.300 -0.015 0.000 1.192 199 D CA -0.004 53.950 54.000 -0.078 0.000 0.835 199 D CB 0.089 40.603 40.800 -0.476 0.000 0.975 199 D HN 0.065 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 -0.087 176.022 176.000 0.181 0.000 1.013 200 Q CA 0.035 55.985 55.803 0.244 0.000 0.895 200 Q CB 0.544 29.570 28.738 0.479 0.000 1.271 200 Q HN 0.042 nan 8.270 nan 0.000 0.460 201 D N 2.705 123.242 120.400 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 0.251 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 0.425 120.123 119.600 0.163 0.000 3.084 202 M HA 0.404 4.884 4.480 -0.000 0.000 0.273 202 M C -1.262 175.141 176.300 0.171 0.000 1.242 202 M CA -1.208 54.157 55.300 0.108 0.000 0.819 202 M CB 1.063 33.656 32.600 -0.012 0.000 1.625 202 M HN -0.076 nan 8.290 nan 0.000 0.493 203 W N 1.935 123.331 121.300 0.160 0.000 2.210 203 W HA 0.349 5.009 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 57.313 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 4.828 125.498 120.500 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 -0.181 56.017 56.100 0.163 0.000 0.904 204 R CB 0.098 30.546 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 -0.121 175.866 176.300 -0.523 0.000 1.155 205 M CA -0.748 54.357 55.300 -0.326 0.000 0.781 205 M CB 2.224 34.622 32.600 -0.337 0.000 1.741 205 M HN 0.625 nan 8.290 nan 0.000 0.473 206 S N -1.259 114.000 115.700 -0.733 0.000 2.611 206 S HA 0.934 5.404 4.470 -0.000 0.000 0.268 206 S C -0.579 173.566 174.600 -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 0.066 108.628 108.800 -0.397 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 -1.401 173.487 174.900 -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 2.067 122.502 120.570 -0.226 0.000 2.316 208 I HA 0.290 4.460 4.170 -0.000 0.000 0.286 208 I C 1.132 177.118 176.117 -0.220 0.000 1.107 208 I CA -0.284 60.780 61.300 -0.392 0.000 1.219 208 I CB -0.130 37.415 38.000 -0.759 0.000 1.455 208 I HN 0.518 nan 8.210 nan 0.000 0.498 209 F N 4.095 123.910 119.950 -0.226 0.000 2.765 209 F HA 0.411 4.938 4.527 -0.000 0.000 0.302 209 F C 0.699 176.436 175.800 -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 -0.679 0.000 2.888 210 R HA 0.238 4.578 4.340 -0.000 0.000 0.264 210 R C -1.037 175.097 176.300 -0.277 0.000 1.045 210 R CA -1.150 54.704 56.100 -0.411 0.000 0.962 210 R CB 0.501 30.534 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 -0.162 0.000 2.563 211 D HA 0.070 4.710 4.640 -0.000 0.000 0.229 211 D C -0.307 175.899 176.300 -0.158 0.000 1.159 211 D CA 0.537 54.465 54.000 -0.120 0.000 0.869 211 D CB 0.372 41.138 40.800 -0.057 0.000 1.203 211 D HN 0.062 nan 8.370 nan 0.000 0.478 212 V N 1.177 121.008 119.914 -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 1.797 33.518 31.823 -0.169 0.000 0.991 212 V HN 0.572 nan 8.190 nan 0.000 0.427 213 S N 4.196 119.774 115.700 -0.205 0.000 2.651 213 S HA 0.802 5.272 4.470 -0.000 0.000 0.279 213 S C -1.183 173.368 174.600 -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 1.887 123.132 121.223 0.036 0.000 2.386 214 L HA 0.689 5.029 4.340 -0.000 0.000 0.271 214 L C -1.514 175.464 176.870 0.181 0.000 0.993 214 L CA -0.750 54.175 54.840 0.143 0.000 0.819 214 L CB 1.811 44.055 42.059 0.309 0.000 1.294 214 L HN 0.503 nan 8.230 nan 0.000 0.414 215 L N 2.298 123.579 121.223 0.097 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 1.731 43.785 42.059 -0.008 0.000 1.285 215 L HN 0.495 nan 8.230 nan 0.000 0.409 216 H N 3.906 122.635 119.070 -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 55.367 56.048 -0.823 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 5.450 125.363 120.400 -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 53.488 56.287 -0.581 0.000 0.816 217 K CB 1.776 34.048 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 0.194 177.364 177.300 -0.216 0.000 1.233 218 P CA -0.131 62.813 63.100 -0.260 0.000 0.789 218 P CB 0.483 32.086 31.700 -0.163 0.000 0.951 219 T N -2.603 111.863 114.554 -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 1.269 63.300 62.100 -0.114 0.000 1.136 219 T CB -0.808 68.017 68.868 -0.071 0.000 0.874 219 T HN 0.318 nan 8.240 nan 0.000 0.466 220 T N 3.405 117.890 114.554 -0.115 0.000 2.853 220 T HA 0.437 4.787 4.350 -0.000 0.000 0.317 220 T C -0.279 174.335 174.700 -0.142 0.000 1.059 220 T CA -0.794 61.229 62.100 -0.128 0.000 0.954 220 T CB 0.669 69.472 68.868 -0.108 0.000 0.994 220 T HN 0.583 nan 8.240 nan 0.000 0.479 221 Q N 2.509 122.208 119.800 -0.168 0.000 2.605 221 Q HA 0.626 4.966 4.340 -0.000 0.000 0.296 221 Q C -0.959 174.932 176.000 -0.183 0.000 1.056 221 Q CA -1.228 54.461 55.803 -0.191 0.000 0.778 221 Q CB 1.494 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 -0.281 0.000 1.083 222 I CA 0.053 61.240 61.300 -0.189 0.000 1.372 222 I CB 0.999 38.853 38.000 -0.243 0.000 1.408 222 I HN 0.830 nan 8.210 nan 0.000 0.516 223 S N 2.843 118.497 115.700 -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 -0.253 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 -0.333 120.261 120.400 0.325 0.000 2.720 224 D HA 0.504 5.143 4.640 -0.000 0.000 0.239 224 D C -1.833 174.677 176.300 0.349 0.000 1.218 224 D CA -0.735 53.502 54.000 0.395 0.000 0.748 224 D CB 1.475 42.398 40.800 0.205 0.000 1.387 224 D HN 0.220 nan 8.370 nan 0.000 0.438 225 F N -0.383 119.616 119.950 0.082 0.000 2.665 225 F HA 0.670 5.197 4.527 -0.000 0.000 0.308 225 F C -1.638 174.215 175.800 0.088 0.000 1.112 225 F CA -0.737 57.233 58.000 -0.049 0.000 0.972 225 F CB 1.314 40.342 39.000 0.047 0.000 1.295 225 F HN 0.304 nan 8.300 nan 0.000 0.440 226 H N 1.521 120.586 119.070 -0.009 0.000 2.768 226 H HA 0.783 5.339 4.556 -0.000 0.000 0.371 226 H C -1.427 173.887 175.328 -0.023 0.000 1.151 226 H CA -1.539 54.438 56.048 -0.118 0.000 1.165 226 H CB 2.749 32.464 29.762 -0.078 0.000 1.722 226 H HN 0.652 nan 8.280 nan 0.000 0.543 227 V N 1.327 121.286 119.914 0.075 0.000 2.715 227 V HA 0.808 4.928 4.120 -0.000 0.000 0.310 227 V C -0.713 175.359 176.094 -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 2.430 125.210 122.820 -0.066 0.000 2.520 228 A HA 0.841 5.161 4.320 -0.000 0.000 0.298 228 A C -0.486 177.012 177.584 -0.145 0.000 1.051 228 A CA -0.338 51.648 52.037 -0.085 0.000 0.690 228 A CB 2.083 21.056 19.000 -0.044 0.000 1.281 228 A HN 0.927 nan 8.150 nan 0.000 0.402 229 T N 0.026 114.487 114.554 -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 61.280 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 1.783 122.046 120.500 -0.396 0.000 2.711 230 R HA 0.774 5.114 4.340 -0.000 0.000 0.284 230 R C -1.181 174.752 176.300 -0.613 0.000 0.968 230 R CA -0.730 55.196 56.100 -0.290 0.000 0.924 230 R CB 1.559 31.786 30.300 -0.121 0.000 1.162 230 R HN 0.561 nan 8.270 nan 0.000 0.465 231 F N 0.228 120.185 119.950 0.011 0.000 2.631 231 F HA 0.387 4.914 4.527 -0.000 0.000 0.328 231 F C 0.416 176.107 175.800 -0.180 0.000 1.067 231 F CA -1.190 56.766 58.000 -0.073 0.000 0.969 231 F CB 0.933 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 0.003 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 -0.175 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 -0.625 119.675 120.400 -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 2.070 55.967 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 -1.821 118.492 120.400 -0.145 0.000 2.431 234 D HA 0.010 4.650 4.640 -0.000 0.000 0.213 234 D C 0.394 176.800 176.300 0.175 0.000 1.130 234 D CA -0.709 53.310 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 0.274 120.283 119.950 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 -0.728 115.084 115.700 0.186 0.000 2.527 236 S HA 0.161 4.631 4.470 -0.000 0.000 0.222 236 S C 0.656 175.307 174.600 0.086 0.000 0.985 236 S CA 0.527 58.802 58.200 0.124 0.000 0.921 236 S CB 0.406 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 -1.605 174.708 176.300 0.022 0.000 1.046 237 R CA -0.104 56.015 56.100 0.032 0.000 0.906 237 R CB 1.803 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 2.467 125.241 122.820 -0.077 0.000 2.479 238 A HA 0.781 5.101 4.320 -0.000 0.000 0.296 238 A C -1.491 176.003 177.584 -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 -0.273 0.000 1.323 238 A HN 0.368 nan 8.150 nan 0.000 0.415 239 V N 1.217 121.024 119.914 -0.179 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 61.873 62.300 -0.100 0.000 0.863 239 V CB 1.326 33.088 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 0.444 55.249 54.840 -0.059 0.000 0.806 240 L CB 1.257 43.303 42.059 -0.021 0.000 1.175 240 L HN 0.846 nan 8.230 nan 0.000 0.431 241 E N 4.736 124.895 120.200 -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 1.547 31.221 29.700 -0.043 0.000 1.166 241 E HN 0.848 nan 8.360 nan 0.000 0.415 242 A N 4.360 127.177 122.820 -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 -0.711 51.345 52.037 0.031 0.000 0.790 242 A CB 1.352 20.383 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 -1.647 174.907 176.600 -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 4.126 124.008 119.914 -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 61.523 62.300 0.016 0.000 0.888 244 V CB 1.683 33.494 31.823 -0.019 0.000 0.995 244 V HN 0.753 nan 8.190 nan 0.000 0.429 245 Q N 4.009 123.870 119.800 0.101 0.000 2.377 245 Q HA 0.842 5.182 4.340 -0.000 0.000 0.271 245 Q C -0.880 175.188 176.000 0.113 0.000 1.077 245 Q CA -0.881 54.995 55.803 0.121 0.000 0.820 245 Q CB 2.850 31.592 28.738 0.006 0.000 1.347 245 Q HN 0.842 nan 8.270 nan 0.000 0.444 246 M N -0.990 118.614 119.600 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 -0.463 54.743 55.300 -0.156 0.000 0.891 246 M CB 2.070 34.394 32.600 -0.460 0.000 1.732 246 M HN 0.556 nan 8.290 nan 0.000 0.467 247 C N 1.570 120.770 119.300 -0.166 0.000 2.561 247 C HA 1.016 5.476 4.460 -0.000 0.000 0.319 247 C C 0.656 175.550 174.990 -0.161 0.000 1.198 247 C CA 0.927 59.864 59.018 -0.135 0.000 1.665 247 C CB 0.877 28.558 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 -1.174 173.644 174.900 -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 0.603 120.727 120.200 -0.128 0.000 2.001 249 E HA 0.624 4.974 4.350 -0.000 0.000 0.279 249 E C 0.143 176.640 176.600 -0.173 0.000 1.045 249 E CA -0.783 55.546 56.400 -0.119 0.000 0.833 249 E CB 1.099 30.756 29.700 -0.071 0.000 1.077 249 E HN 0.663 nan 8.360 nan 0.000 0.397 250 L N 4.428 125.538 121.223 -0.188 0.000 2.418 250 L HA 0.277 4.617 4.340 -0.000 0.000 0.274 250 L C -0.036 176.714 176.870 -0.200 0.000 1.135 250 L CA 0.024 54.723 54.840 -0.235 0.000 0.870 250 L CB 0.207 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 2.775 123.097 120.500 -0.298 0.000 2.725 251 R HA 0.164 4.504 4.340 -0.000 0.000 0.277 251 R C 0.099 176.165 176.300 -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 1.266 121.553 120.400 -0.188 0.000 2.378 252 D HA -0.160 4.480 4.640 -0.000 0.000 0.222 252 D C 1.022 177.297 176.300 -0.043 0.000 0.980 252 D CA 1.200 55.158 54.000 -0.069 0.000 0.907 252 D CB -0.011 40.803 40.800 0.024 0.000 0.899 252 D HN 0.678 nan 8.370 nan 0.000 0.527 253 Y N -0.147 120.163 120.300 0.016 0.000 2.466 253 Y HA 0.355 4.905 4.550 -0.000 0.000 0.272 253 Y C 1.028 176.933 175.900 0.008 0.000 1.169 253 Y CA -0.873 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 2.894 123.926 121.223 -0.318 0.000 2.461 254 L HA 0.282 4.622 4.340 -0.000 0.000 0.272 254 L C 0.255 177.074 176.870 -0.086 0.000 1.197 254 L CA 0.074 54.821 54.840 -0.155 0.000 0.836 254 L CB 0.433 42.430 42.059 -0.103 0.000 1.105 254 L HN 0.236 nan 8.230 nan 0.000 0.477 255 R N 1.935 122.291 120.500 -0.241 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 2.305 32.276 30.300 -0.548 0.000 1.228 255 R HN 0.286 nan 8.270 nan 0.000 0.469 256 V N 0.757 120.420 119.914 -0.418 0.000 2.709 256 V HA 0.521 4.641 4.120 -0.000 0.000 0.308 256 V C -0.536 175.504 176.094 -0.090 0.000 1.062 256 V CA -0.571 61.565 62.300 -0.274 0.000 0.901 256 V CB 2.433 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 3.514 118.101 114.554 0.055 0.000 2.861 257 T HA 0.689 5.039 4.350 -0.000 0.000 0.287 257 T C -0.908 173.802 174.700 0.016 0.000 1.003 257 T CA -0.463 61.683 62.100 0.076 0.000 0.977 257 T CB 1.905 70.875 68.868 0.170 0.000 0.996 257 T HN 0.362 nan 8.240 nan 0.000 0.448 258 V N 3.213 123.121 119.914 -0.010 0.000 2.531 258 V HA 0.704 4.824 4.120 -0.000 0.000 0.301 258 V C -0.424 175.661 176.094 -0.016 0.000 1.034 258 V CA -0.814 61.478 62.300 -0.014 0.000 0.865 258 V CB 1.901 33.706 31.823 -0.029 0.000 0.995 258 V HN 1.069 nan 8.190 nan 0.000 0.424 259 S N 5.096 120.806 115.700 0.016 0.000 2.536 259 S HA 0.864 5.333 4.470 -0.000 0.000 0.287 259 S C -1.091 173.491 174.600 -0.030 0.000 1.101 259 S CA -0.754 57.410 58.200 -0.061 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 -0.206 0.000 2.356 260 L HA 0.779 5.119 4.340 -0.000 0.000 0.277 260 L C -2.031 174.718 176.870 -0.202 0.000 0.996 260 L CA -0.304 54.511 54.840 -0.042 0.000 0.822 260 L CB 0.841 42.896 42.059 -0.007 0.000 1.256 260 L HN 0.877 nan 8.230 nan 0.000 0.413 261 W N 3.198 124.599 121.300 0.170 0.000 2.736 261 W HA 0.568 5.228 4.660 -0.000 0.000 0.335 261 W C -0.521 176.114 176.519 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 31.088 29.460 0.067 0.000 1.416 261 W HN 0.460 nan 8.180 nan 0.000 0.505 262 Q N 2.480 122.499 119.800 0.364 0.000 2.626 262 Q HA 0.490 4.830 4.340 -0.000 0.000 0.239 262 Q C 0.767 176.835 176.000 0.113 0.000 1.101 262 Q CA 0.685 56.548 55.803 0.100 0.000 0.918 262 Q CB 0.201 28.938 28.738 -0.001 0.000 1.151 262 Q HN 0.747 nan 8.270 nan 0.000 0.531 263 G N 2.434 111.301 108.800 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 0.695 175.658 174.900 0.105 0.000 1.310 263 G CA 0.332 45.471 45.100 0.063 0.000 0.994 263 G HN 0.515 nan 8.290 nan 0.000 0.575 264 E N 1.314 121.587 120.200 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 1.627 116.359 114.554 0.298 0.000 2.869 265 T HA 0.154 4.504 4.350 -0.000 0.000 0.295 265 T C 0.221 175.038 174.700 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 70.355 68.868 0.110 0.000 0.932 265 T HN -0.051 nan 8.240 nan 0.000 0.518 266 Q N 2.818 122.523 119.800 -0.159 0.000 2.296 266 Q HA 0.298 4.638 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 -0.487 54.829 55.803 -0.812 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 2.711 122.432 119.914 -0.322 0.000 2.685 267 V HA 0.297 4.417 4.120 -0.000 0.000 0.244 267 V C 0.415 176.414 176.094 -0.159 0.000 1.054 267 V CA 1.139 63.358 62.300 -0.135 0.000 1.076 267 V CB 0.158 31.998 31.823 0.029 0.000 0.725 267 V HN 0.798 nan 8.190 nan 0.000 0.467 268 A N -1.353 121.332 122.820 -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 0.148 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 1.337 110.104 108.800 -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 0.048 114.586 114.554 -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 -0.051 0.000 1.014 271 T CA 0.126 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 1.654 nan 8.240 nan 0.000 0.458 272 A N 3.599 126.357 122.820 -0.103 0.000 2.566 272 A HA 0.900 5.220 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 1.248 20.166 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 -0.710 176.475 177.300 -0.191 0.000 1.279 273 P CA -0.450 62.559 63.100 -0.151 0.000 0.867 273 P CB 0.486 32.160 31.700 -0.044 0.000 1.127 274 F N 0.772 120.673 119.950 -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 1.343 110.263 108.800 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 -0.432 174.513 174.900 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 0.625 109.489 108.800 0.107 0.000 2.588 276 G HA2 0.674 4.634 3.960 -0.000 0.000 0.281 276 G HA3 0.674 4.634 3.960 -0.000 0.000 0.281 276 G C 0.165 175.101 174.900 0.059 0.000 1.236 276 G CA -0.393 44.761 45.100 0.090 0.000 0.969 276 G HN 0.843 nan 8.290 nan 0.000 0.504 277 E N -0.943 119.288 120.200 0.052 0.000 2.374 277 E HA 0.311 4.661 4.350 -0.000 0.000 0.260 277 E C -0.272 176.347 176.600 0.032 0.000 1.101 277 E CA -0.482 55.938 56.400 0.032 0.000 0.907 277 E CB 0.817 30.533 29.700 0.027 0.000 1.014 277 E HN 0.218 nan 8.360 nan 0.000 0.427 278 I N 2.472 123.049 120.570 0.013 0.000 2.683 278 I HA -0.080 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 0.606 61.906 61.300 -0.000 0.000 1.429 278 I CB 0.156 38.152 38.000 -0.007 0.000 1.371 278 I HN 0.622 nan 8.210 nan 0.000 0.569 279 I N 1.753 122.320 120.570 -0.006 0.000 3.883 279 I HA 0.315 4.485 4.170 -0.000 0.000 0.305 279 I C -0.259 175.855 176.117 -0.006 0.000 1.247 279 I CA 0.316 61.622 61.300 0.011 0.000 1.350 279 I CB 0.386 38.415 38.000 0.049 0.000 1.194 279 I HN 0.636 nan 8.210 nan 0.000 0.441 280 D N -0.013 120.371 120.400 -0.027 0.000 2.921 280 D HA 0.180 4.820 4.640 -0.000 0.000 0.329 280 D C 0.275 176.558 176.300 -0.029 0.000 1.293 280 D CA -0.455 53.531 54.000 -0.023 0.000 0.964 280 D CB 0.614 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 -0.881 119.305 120.200 -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 -0.501 119.972 120.500 -0.046 0.000 2.300 282 R HA 0.252 4.592 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 0.800 31.062 30.300 -0.064 0.000 0.984 282 R HN 0.206 nan 8.270 nan 0.000 0.493 283 G N -0.487 108.270 108.800 -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 -0.508 174.331 174.900 -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 -1.827 106.908 108.800 -0.108 0.000 3.140 284 G HA2 0.650 4.610 3.960 -0.000 0.000 0.271 284 G HA3 0.650 4.610 3.960 -0.000 0.000 0.271 284 G C -1.537 173.237 174.900 -0.210 0.000 1.370 284 G CA -0.804 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 0.688 121.000 120.300 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 0.190 58.305 58.100 0.026 0.000 1.201 285 Y CB 1.864 40.346 38.460 0.036 0.000 1.151 285 Y HN 0.540 nan 8.280 nan 0.000 0.517 286 A N 1.894 124.794 122.820 0.133 0.000 2.016 286 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 286 A C 1.242 178.905 177.584 0.132 0.000 1.162 286 A CA 1.271 53.368 52.037 0.100 0.000 0.662 286 A CB -0.238 18.779 19.000 0.029 0.000 0.812 286 A HN 0.793 nan 8.150 nan 0.000 0.450 287 D N -0.323 120.153 120.400 0.126 0.000 2.561 287 D HA 0.160 4.800 4.640 -0.000 0.000 0.232 287 D C 0.328 176.760 176.300 0.220 0.000 1.198 287 D CA -0.110 53.900 54.000 0.016 0.000 0.826 287 D CB -0.135 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 -1.042 119.696 120.500 0.396 0.000 2.817 288 R HA 0.754 5.094 4.340 -0.000 0.000 0.268 288 R C -1.600 174.825 176.300 0.209 0.000 1.027 288 R CA -1.228 55.063 56.100 0.318 0.000 0.928 288 R CB 2.741 33.088 30.300 0.078 0.000 1.228 288 R HN -0.015 nan 8.270 nan 0.000 0.469 289 V N 0.162 120.074 119.914 -0.003 0.000 3.000 289 V HA 0.497 4.617 4.120 -0.000 0.000 0.300 289 V C -1.597 174.426 176.094 -0.118 0.000 1.251 289 V CA -0.246 61.975 62.300 -0.132 0.000 0.972 289 V CB 2.683 34.268 31.823 -0.395 0.000 1.065 289 V HN 0.831 nan 8.190 nan 0.000 0.431 290 T N 7.450 121.954 114.554 -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 -0.208 61.853 62.100 -0.065 0.000 0.960 290 T CB 1.168 70.016 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 3.224 123.697 120.500 -0.045 0.000 2.435 292 R HA 0.608 4.948 4.340 -0.000 0.000 0.308 292 R C -1.529 174.744 176.300 -0.044 0.000 0.975 292 R CA -0.606 55.468 56.100 -0.043 0.000 0.867 292 R CB 1.327 31.602 30.300 -0.041 0.000 1.171 292 R HN 0.474 nan 8.270 nan 0.000 0.470 293 L N 2.828 124.026 121.223 -0.041 0.000 2.307 293 L HA 0.459 4.799 4.340 -0.000 0.000 0.284 293 L C -0.025 176.819 176.870 -0.043 0.000 1.023 293 L CA -1.086 53.728 54.840 -0.043 0.000 0.810 293 L CB 1.331 43.365 42.059 -0.041 0.000 1.231 293 L HN 0.425 nan 8.230 nan 0.000 0.423 294 N N 2.353 121.021 118.700 -0.053 0.000 2.479 294 N HA 0.445 5.184 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 -0.308 52.705 53.050 -0.061 0.000 0.967 294 N CB 2.767 41.221 38.487 -0.056 0.000 1.137 294 N HN 0.221 nan 8.380 nan 0.000 0.472 295 V N 1.861 121.710 119.914 -0.107 0.000 2.525 295 V HA 0.218 4.338 4.120 -0.000 0.000 0.299 295 V C -0.099 175.908 176.094 -0.145 0.000 1.034 295 V CA -0.843 61.359 62.300 -0.163 0.000 0.863 295 V CB 2.103 33.732 31.823 -0.323 0.000 0.999 295 V HN 0.510 nan 8.190 nan 0.000 0.423 296 E N 3.669 123.810 120.200 -0.099 0.000 2.231 296 E HA 0.332 4.682 4.350 -0.000 0.000 0.277 296 E C -0.153 176.416 176.600 -0.052 0.000 0.999 296 E CA -0.499 55.865 56.400 -0.060 0.000 0.827 296 E CB 0.845 30.524 29.700 -0.034 0.000 1.101 296 E HN 0.668 nan 8.360 nan 0.000 0.393 297 N N 1.665 120.354 118.700 -0.018 0.000 2.688 297 N HA -0.116 4.624 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 0.376 53.431 53.050 0.009 0.000 0.747 297 N CB -1.173 37.325 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 0.284 63.268 63.100 -0.194 0.000 0.785 298 P CB 0.821 32.153 31.700 -0.613 0.000 0.923 299 K N 1.535 122.041 120.400 0.176 0.000 2.234 299 K HA 0.378 4.698 4.320 -0.000 0.000 0.277 299 K C -0.069 176.697 176.600 0.277 0.000 1.038 299 K CA -0.505 55.893 56.287 0.185 0.000 0.888 299 K CB 0.431 33.015 32.500 0.141 0.000 1.091 299 K HN 0.386 nan 8.250 nan 0.000 0.467 300 L N 2.575 123.887 121.223 0.148 0.000 2.395 300 L HA 0.296 4.636 4.340 -0.000 0.000 0.269 300 L C -0.075 176.873 176.870 0.131 0.000 1.133 300 L CA -0.690 54.238 54.840 0.146 0.000 0.812 300 L CB 0.399 42.389 42.059 -0.114 0.000 1.125 300 L HN 0.598 nan 8.230 nan 0.000 0.452 301 W N 3.197 124.521 121.300 0.041 0.000 2.376 301 W HA 0.477 5.137 4.660 -0.000 0.000 0.322 301 W C 0.087 176.543 176.519 -0.105 0.000 1.160 301 W CA 0.113 57.461 57.345 0.005 0.000 1.218 301 W CB 1.356 30.865 29.460 0.081 0.000 1.205 301 W HN 0.618 nan 8.180 nan 0.000 0.559 302 S N 2.875 117.979 115.700 -0.993 0.000 2.615 302 S HA 0.632 5.102 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 57.362 58.200 -0.836 0.000 0.817 302 S CB 1.090 63.997 63.200 -0.490 0.000 1.131 302 S HN 1.037 nan 8.310 nan 0.000 0.467 303 A N 0.396 122.648 122.820 -0.947 0.000 2.066 303 A HA 0.126 4.446 4.320 -0.000 0.000 0.218 303 A C 1.701 178.970 177.584 -0.526 0.000 1.157 303 A CA 1.245 52.720 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 -0.303 0.000 2.112 304 E HA 0.084 4.434 4.350 -0.000 0.000 0.190 304 E C -0.288 176.179 176.600 -0.223 0.000 0.979 304 E CA 0.681 56.970 56.400 -0.185 0.000 0.814 304 E CB 0.075 29.794 29.700 0.031 0.000 0.762 304 E HN 0.591 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 -1.865 59.282 61.300 -0.254 0.000 1.076 305 I CB 2.202 40.103 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 -0.583 176.704 177.300 -0.022 0.000 1.783 306 P CA -0.160 62.646 63.100 -0.490 0.000 0.980 306 P CB -0.353 31.240 31.700 -0.180 0.000 1.967 307 N N 1.882 120.592 118.700 0.018 0.000 2.468 307 N HA 0.121 4.861 4.740 -0.000 0.000 0.265 307 N C 0.134 175.869 175.510 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 2.237 123.600 121.223 0.234 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 0.146 0.000 1.012 308 L CA -0.891 54.116 54.840 0.277 0.000 0.820 308 L CB 1.153 43.339 42.059 0.211 0.000 1.334 308 L HN 0.390 nan 8.230 nan 0.000 0.427 309 Y N -0.080 120.346 120.300 0.211 0.000 2.602 309 Y HA 0.577 5.127 4.550 -0.000 0.000 0.342 309 Y C -0.324 175.683 175.900 0.179 0.000 1.029 309 Y CA -0.828 57.404 58.100 0.219 0.000 1.080 309 Y CB 2.052 40.691 38.460 0.298 0.000 1.284 309 Y HN 0.383 nan 8.280 nan 0.000 0.485 310 R N 1.186 121.923 120.500 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 0.282 0.000 0.862 310 R CB 1.045 31.430 30.300 0.141 0.000 1.144 310 R HN 0.794 nan 8.270 nan 0.000 0.447 311 A N 3.756 126.716 122.820 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 2.389 122.392 119.914 0.149 0.000 2.540 312 V HA 0.525 4.645 4.120 -0.000 0.000 0.302 312 V C -0.448 175.643 176.094 -0.005 0.000 1.035 312 V CA -0.638 61.691 62.300 0.049 0.000 0.873 312 V CB 1.582 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 4.725 124.576 119.914 -0.106 0.000 2.350 313 V HA 0.465 4.585 4.120 -0.000 0.000 0.285 313 V C -0.174 175.873 176.094 -0.079 0.000 1.014 313 V CA -0.545 61.667 62.300 -0.146 0.000 0.831 313 V CB 1.333 32.931 31.823 -0.374 0.000 1.000 313 V HN 1.028 nan 8.190 nan 0.000 0.433 314 E N 5.012 125.212 120.200 -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 2.810 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 5.304 126.582 121.223 0.091 0.000 2.261 315 L HA 0.270 4.610 4.340 -0.000 0.000 0.289 315 L C -0.599 176.347 176.870 0.126 0.000 1.059 315 L CA 0.154 55.030 54.840 0.061 0.000 0.816 315 L CB -0.128 41.948 42.059 0.028 0.000 1.191 315 L HN 0.686 nan 8.230 nan 0.000 0.431 316 H N 1.242 120.340 119.070 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 1.031 30.818 29.762 0.041 0.000 1.866 316 H HN 0.487 nan 8.280 nan 0.000 0.545 317 T N -2.618 112.093 114.554 0.263 0.000 2.927 317 T HA 0.528 4.878 4.350 -0.000 0.000 0.281 317 T C 1.479 176.358 174.700 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 1.193 124.160 122.820 0.246 0.000 1.978 318 A HA -0.140 4.180 4.320 -0.000 0.000 0.220 318 A C 2.048 179.730 177.584 0.163 0.000 1.170 318 A CA 1.830 53.980 52.037 0.189 0.000 0.636 318 A CB -1.072 18.024 19.000 0.159 0.000 0.810 318 A HN 0.999 nan 8.150 nan 0.000 0.448 319 D N -1.899 118.582 120.400 0.134 0.000 2.178 319 D HA 0.066 4.706 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 55.440 54.000 0.079 0.000 0.842 319 D CB -0.317 40.507 40.800 0.040 0.000 0.948 319 D HN 0.843 nan 8.370 nan 0.000 0.472 320 G N -0.076 108.797 108.800 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 45.160 45.100 0.039 0.000 0.684 320 G HN 0.328 nan 8.290 nan 0.000 0.489 321 T N 2.043 116.652 114.554 0.092 0.000 2.769 321 T HA 0.426 4.776 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 1.093 70.006 68.868 0.076 0.000 0.881 321 T HN 0.399 nan 8.240 nan 0.000 0.532 322 L N 5.021 126.294 121.223 0.084 0.000 2.360 322 L HA 0.205 4.545 4.340 -0.000 0.000 0.276 322 L C 0.695 177.622 176.870 0.095 0.000 1.121 322 L CA -0.353 54.549 54.840 0.104 0.000 0.845 322 L CB 0.439 42.531 42.059 0.056 0.000 1.143 322 L HN 0.641 nan 8.230 nan 0.000 0.452 323 I N 3.491 124.123 120.570 0.102 0.000 2.339 323 I HA 0.028 4.198 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 0.851 62.184 61.300 0.055 0.000 1.408 323 I CB 0.009 38.033 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 1.368 31.033 29.700 -0.059 0.000 1.309 324 E HN -0.048 nan 8.360 nan 0.000 0.447 325 A N 1.328 124.196 122.820 0.081 0.000 2.475 325 A HA 0.724 5.044 4.320 -0.000 0.000 0.301 325 A C -1.123 176.580 177.584 0.199 0.000 1.059 325 A CA -0.703 51.392 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 -0.379 119.873 120.200 0.088 0.000 2.392 326 E HA 0.792 5.142 4.350 -0.000 0.000 0.269 326 E C -0.584 176.053 176.600 0.061 0.000 0.924 326 E CA -0.611 55.902 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 0.089 123.066 122.820 0.262 0.000 2.588 327 A HA 0.844 5.164 4.320 -0.000 0.000 0.290 327 A C -1.130 176.641 177.584 0.312 0.000 1.136 327 A CA -0.379 51.738 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 0.922 nan 8.150 nan 0.000 0.421 328 C N -0.879 118.565 119.300 0.240 0.000 3.292 328 C HA 0.740 5.200 4.460 -0.000 0.000 0.338 328 C C -1.669 173.412 174.990 0.151 0.000 1.323 328 C CA -1.011 58.142 59.018 0.225 0.000 1.232 328 C CB 0.942 28.832 27.740 0.251 0.000 1.517 328 C HN 0.808 nan 8.230 nan 0.000 0.470 329 D N 1.056 121.521 120.400 0.109 0.000 2.256 329 D HA 0.568 5.208 4.640 -0.000 0.000 0.250 329 D C -0.425 175.913 176.300 0.062 0.000 1.093 329 D CA 0.120 54.184 54.000 0.107 0.000 0.882 329 D CB 2.027 42.889 40.800 0.104 0.000 1.185 329 D HN 0.536 nan 8.370 nan 0.000 0.437 330 V N 1.057 121.034 119.914 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 -0.031 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 -0.114 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 0.008 0.000 1.259 331 G CA -0.407 44.707 45.100 0.022 0.000 0.933 331 G HN 0.422 nan 8.290 nan 0.000 0.478 332 F N 2.233 122.346 119.950 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 -0.231 57.977 58.000 0.348 0.000 1.160 332 F CB 0.944 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 1.219 121.986 120.500 0.445 0.000 2.710 333 R HA 0.552 4.892 4.340 -0.000 0.000 0.270 333 R C -1.603 174.819 176.300 0.204 0.000 1.021 333 R CA -1.142 55.079 56.100 0.201 0.000 0.889 333 R CB 1.797 32.235 30.300 0.229 0.000 1.243 333 R HN 0.432 nan 8.270 nan 0.000 0.464 334 E N 1.724 121.942 120.200 0.029 0.000 2.199 334 E HA 0.420 4.770 4.350 -0.000 0.000 0.265 334 E C -1.342 175.305 176.600 0.079 0.000 0.882 334 E CA -0.938 55.545 56.400 0.139 0.000 0.759 334 E CB 2.150 31.969 29.700 0.199 0.000 1.148 334 E HN 0.415 nan 8.360 nan 0.000 0.412 335 V N 5.588 125.550 119.914 0.081 0.000 2.384 335 V HA 0.578 4.698 4.120 -0.000 0.000 0.287 335 V C -0.146 175.977 176.094 0.049 0.000 1.020 335 V CA -0.545 61.779 62.300 0.040 0.000 0.850 335 V CB 1.219 33.048 31.823 0.010 0.000 0.987 335 V HN 0.726 nan 8.190 nan 0.000 0.436 336 R N 4.340 124.866 120.500 0.044 0.000 2.710 336 R HA 0.708 5.048 4.340 -0.000 0.000 0.270 336 R C -2.012 174.308 176.300 0.033 0.000 1.021 336 R CA -0.938 55.190 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 0.501 nan 8.270 nan 0.000 0.464 337 I N 1.499 122.089 120.570 0.033 0.000 2.339 337 I HA 0.325 4.495 4.170 -0.000 0.000 0.290 337 I C -0.642 175.493 176.117 0.029 0.000 0.994 337 I CA -0.381 60.934 61.300 0.025 0.000 1.191 337 I CB 1.736 39.752 38.000 0.027 0.000 1.343 337 I HN 0.717 nan 8.210 nan 0.000 0.458 338 E N 6.506 126.721 120.200 0.024 0.000 2.278 338 E HA 0.243 4.593 4.350 -0.000 0.000 0.272 338 E C -0.311 176.300 176.600 0.018 0.000 0.890 338 E CA -0.566 55.850 56.400 0.026 0.000 0.770 338 E CB 1.037 30.757 29.700 0.033 0.000 1.212 338 E HN 0.536 nan 8.360 nan 0.000 0.415 339 N N 3.363 122.073 118.700 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 55.194 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 0.521 45.621 45.100 0.000 0.000 0.641 340 G HN 0.479 nan 8.290 nan 0.000 0.530 341 L N -0.057 121.162 121.223 -0.007 0.000 2.354 341 L HA 0.750 5.090 4.340 -0.000 0.000 0.269 341 L C -0.039 176.820 176.870 -0.018 0.000 1.005 341 L CA -1.331 53.497 54.840 -0.019 0.000 0.819 341 L CB 1.950 43.997 42.059 -0.019 0.000 1.311 341 L HN 0.104 nan 8.230 nan 0.000 0.423 342 L N 3.677 124.878 121.223 -0.036 0.000 2.265 342 L HA 0.506 4.846 4.340 -0.000 0.000 0.288 342 L C -0.949 175.898 176.870 -0.039 0.000 1.058 342 L CA 0.335 55.154 54.840 -0.036 0.000 0.809 342 L CB 0.478 42.502 42.059 -0.057 0.000 1.179 342 L HN 0.389 nan 8.230 nan 0.000 0.429 343 L N 5.665 126.879 121.223 -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 53.980 54.840 -0.002 0.000 0.818 343 L CB 2.018 44.098 42.059 0.034 0.000 1.296 343 L HN 0.560 nan 8.230 nan 0.000 0.427 344 L N 2.980 124.215 121.223 0.019 0.000 2.376 344 L HA 0.495 4.835 4.340 -0.000 0.000 0.275 344 L C -0.274 176.620 176.870 0.041 0.000 0.987 344 L CA -0.091 54.767 54.840 0.030 0.000 0.828 344 L CB 1.032 43.113 42.059 0.037 0.000 1.249 344 L HN 0.614 nan 8.230 nan 0.000 0.409 345 N N 4.084 122.699 118.700 -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 1.389 54.104 53.050 -0.558 0.000 0.710 345 N CB -1.222 36.815 38.487 -0.750 0.000 0.993 345 N HN 1.185 nan 8.380 nan 0.000 0.547 346 G N -1.952 106.845 108.800 -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 -0.092 174.856 174.900 0.080 0.000 0.990 346 G CA 0.782 45.961 45.100 0.132 0.000 0.627 346 G HN 0.464 nan 8.290 nan 0.000 0.522 347 K N 1.004 121.441 120.400 0.061 0.000 2.203 347 K HA 0.549 4.869 4.320 -0.000 0.000 0.251 347 K C -3.032 173.553 176.600 -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 35.107 32.500 -0.124 0.000 1.125 347 K HN 0.032 nan 8.250 nan 0.000 0.430 348 P HA 0.223 nan 4.420 nan 0.000 0.282 348 P C -0.178 177.068 177.300 -0.089 0.000 1.262 348 P CA -0.211 62.852 63.100 -0.062 0.000 0.773 348 P CB 0.516 32.180 31.700 -0.060 0.000 0.879 349 L N 3.196 124.359 121.223 -0.100 0.000 2.468 349 L HA 0.387 4.727 4.340 -0.000 0.000 0.254 349 L C 0.511 177.305 176.870 -0.125 0.000 1.171 349 L CA -0.678 54.092 54.840 -0.117 0.000 0.809 349 L CB 0.326 42.278 42.059 -0.179 0.000 1.155 349 L HN 0.235 nan 8.230 nan 0.000 0.473 350 L N 2.485 123.647 121.223 -0.101 0.000 2.471 350 L HA 0.424 4.763 4.340 -0.000 0.000 0.263 350 L C -0.692 176.129 176.870 -0.082 0.000 0.985 350 L CA -0.135 54.633 54.840 -0.121 0.000 0.868 350 L CB 0.992 43.010 42.059 -0.069 0.000 1.203 350 L HN 0.229 nan 8.230 nan 0.000 0.429 351 I N 4.677 125.133 120.570 -0.189 0.000 2.379 351 I HA 0.235 4.405 4.170 -0.000 0.000 0.290 351 I C 0.436 176.497 176.117 -0.093 0.000 1.063 351 I CA -0.025 61.172 61.300 -0.171 0.000 1.351 351 I CB 0.634 38.414 38.000 -0.367 0.000 1.410 351 I HN 0.579 nan 8.210 nan 0.000 0.505 352 R N 4.746 125.267 120.500 0.035 0.000 3.070 352 R HA 0.451 4.791 4.340 -0.000 0.000 0.252 352 R C 0.503 176.888 176.300 0.141 0.000 1.370 352 R CA -0.239 55.912 56.100 0.085 0.000 1.482 352 R CB 0.849 31.047 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 -1.340 173.848 174.900 0.480 0.000 1.207 353 G CA -0.498 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 4.374 123.142 118.700 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 1.660 40.100 38.487 -0.077 0.000 1.121 355 N HN 0.633 nan 8.380 nan 0.000 0.466 356 R N 2.027 122.312 120.500 -0.357 0.000 2.514 356 R HA 0.236 4.576 4.340 -0.000 0.000 0.296 356 R C -0.988 175.084 176.300 -0.380 0.000 1.012 356 R CA -0.550 55.351 56.100 -0.333 0.000 0.897 356 R CB 0.961 31.067 30.300 -0.324 0.000 1.184 356 R HN 0.588 nan 8.270 nan 0.000 0.440 357 H N 2.050 120.972 119.070 -0.246 0.000 2.508 357 H HA 0.141 4.697 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 -0.084 55.904 56.048 -0.101 0.000 1.356 357 H CB 1.516 31.271 29.762 -0.011 0.000 1.525 357 H HN 0.558 nan 8.280 nan 0.000 0.578 358 E N 1.594 121.981 120.200 0.312 0.000 1.941 358 E HA 0.104 4.454 4.350 -0.000 0.000 0.275 358 E C -0.775 175.962 176.600 0.229 0.000 1.113 358 E CA 0.011 56.513 56.400 0.170 0.000 0.878 358 E CB 0.163 29.966 29.700 0.173 0.000 1.070 358 E HN 0.382 nan 8.360 nan 0.000 0.399 359 H N 1.517 120.630 119.070 0.072 0.000 2.865 359 H HA 0.255 4.811 4.556 -0.000 0.000 0.362 359 H C -1.624 173.735 175.328 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 0.366 nan 8.280 nan 0.000 0.534 360 H N 6.270 124.989 119.070 -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 53.386 56.048 -0.446 0.000 1.257 360 H CB 2.504 32.137 29.762 -0.214 0.000 1.552 360 H HN 0.561 nan 8.280 nan 0.000 0.522 361 P HA -0.134 nan 4.420 nan 0.000 0.217 361 P C 1.373 178.561 177.300 -0.187 0.000 1.148 361 P CA 0.923 63.859 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 -1.872 119.335 121.223 -0.028 0.000 2.269 362 L HA 0.047 4.387 4.340 -0.000 0.000 0.200 362 L C 2.386 179.110 176.870 -0.243 0.000 1.069 362 L CA 0.901 55.642 54.840 -0.164 0.000 0.804 362 L CB -0.692 41.162 42.059 -0.341 0.000 0.987 362 L HN 0.009 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 1.391 176.598 175.328 -0.202 0.000 0.982 363 H CA 0.135 56.043 56.048 -0.234 0.000 1.146 363 H CB 0.317 29.840 29.762 -0.399 0.000 1.382 363 H HN 0.447 nan 8.280 nan 0.000 0.577 364 G N 1.487 110.193 108.800 -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 0.601 175.404 174.900 -0.162 0.000 1.153 364 G CA 0.307 45.260 45.100 -0.245 0.000 0.968 364 G HN 0.462 nan 8.290 nan 0.000 0.544 365 Q N 0.050 119.776 119.800 -0.122 0.000 2.280 365 Q HA 0.451 4.791 4.340 -0.000 0.000 0.202 365 Q C 0.454 176.503 176.000 0.082 0.000 0.903 365 Q CA -0.058 55.708 55.803 -0.061 0.000 0.948 365 Q CB 0.870 29.463 28.738 -0.241 0.000 1.058 365 Q HN 0.383 nan 8.270 nan 0.000 0.493 366 V N 1.854 121.814 119.914 0.076 0.000 2.498 366 V HA 0.188 4.308 4.120 -0.000 0.000 0.279 366 V C 0.162 176.299 176.094 0.072 0.000 1.048 366 V CA -0.023 62.341 62.300 0.107 0.000 0.967 366 V CB 1.018 32.848 31.823 0.011 0.000 0.988 366 V HN 0.315 nan 8.190 nan 0.000 0.473 367 M N 4.364 123.998 119.600 0.057 0.000 2.598 367 M HA 0.569 5.049 4.480 -0.000 0.000 0.317 367 M C -0.598 175.636 176.300 -0.110 0.000 1.201 367 M CA -0.744 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 -1.895 118.456 120.400 -0.082 0.000 2.602 368 D HA 0.223 4.863 4.640 -0.000 0.000 0.236 368 D C 0.286 176.573 176.300 -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 -0.010 120.192 120.200 0.003 0.000 2.086 369 E HA -0.369 3.981 4.350 -0.000 0.000 0.200 369 E C 1.546 178.200 176.600 0.091 0.000 1.012 369 E CA 1.571 58.008 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 -0.353 119.499 119.800 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 2.293 58.156 55.803 0.099 0.000 0.846 370 Q CB -0.181 28.615 28.738 0.097 0.000 0.902 370 Q HN 0.370 nan 8.270 nan 0.000 0.421 371 T N 1.138 115.771 114.554 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 1.687 63.876 62.100 0.148 0.000 1.159 371 T CB -0.259 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 0.626 120.319 119.600 0.155 0.000 2.089 372 M HA -0.154 4.326 4.480 -0.000 0.000 0.257 372 M C 2.438 178.869 176.300 0.218 0.000 1.071 372 M CA 1.542 57.006 55.300 0.274 0.000 1.096 372 M CB -0.758 32.029 32.600 0.313 0.000 1.330 372 M HN 0.115 nan 8.290 nan 0.000 0.403 373 V N -0.251 119.733 119.914 0.116 0.000 2.515 373 V HA -0.264 3.856 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 1.789 64.088 62.300 -0.002 0.000 1.064 373 V CB -0.814 31.031 31.823 0.037 0.000 0.675 373 V HN 0.541 nan 8.190 nan 0.000 0.461 374 Q N -0.222 119.619 119.800 0.068 0.000 2.050 374 Q HA -0.255 4.085 4.340 -0.000 0.000 0.202 374 Q C 2.030 178.109 176.000 0.133 0.000 0.980 374 Q CA 2.009 57.868 55.803 0.093 0.000 0.840 374 Q CB -0.087 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 0.372 120.875 120.400 0.172 0.000 2.092 375 D HA -0.177 4.463 4.640 -0.000 0.000 0.193 375 D C 1.866 178.143 176.300 -0.037 0.000 0.994 375 D CA 1.176 55.291 54.000 0.191 0.000 0.828 375 D CB -0.272 40.631 40.800 0.172 0.000 0.963 375 D HN 0.324 nan 8.370 nan 0.000 0.450 376 I N 0.662 121.186 120.570 -0.076 0.000 2.208 376 I HA -0.254 3.916 4.170 -0.000 0.000 0.245 376 I C 2.385 178.377 176.117 -0.208 0.000 1.097 376 I CA 0.682 61.836 61.300 -0.244 0.000 1.363 376 I CB -0.143 37.602 38.000 -0.426 0.000 1.051 376 I HN 0.050 nan 8.210 nan 0.000 0.413 377 L N -0.009 121.135 121.223 -0.131 0.000 2.027 377 L HA -0.216 4.124 4.340 -0.000 0.000 0.206 377 L C 2.593 179.536 176.870 0.121 0.000 1.074 377 L CA 1.511 56.354 54.840 0.006 0.000 0.745 377 L CB -0.738 41.342 42.059 0.035 0.000 0.898 377 L HN 0.316 nan 8.230 nan 0.000 0.433 378 L N -0.755 120.566 121.223 0.164 0.000 2.012 378 L HA -0.269 4.071 4.340 -0.000 0.000 0.210 378 L C 2.787 179.839 176.870 0.303 0.000 1.073 378 L CA 1.452 56.474 54.840 0.303 0.000 0.748 378 L CB -0.313 42.054 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 1.869 57.108 55.300 -0.101 0.000 1.109 379 M CB -0.425 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 0.108 120.486 120.400 -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 0.173 120.131 119.800 0.262 0.000 2.369 381 Q HA -0.018 4.321 4.340 -0.000 0.000 0.206 381 Q C 0.863 177.156 176.000 0.489 0.000 0.963 381 Q CA 0.575 56.652 55.803 0.456 0.000 0.894 381 Q CB 0.167 29.153 28.738 0.414 0.000 0.965 381 Q HN 0.246 nan 8.270 nan 0.000 0.475 382 N N 0.668 119.614 118.700 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 0.195 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 0.005 118.811 118.700 0.177 0.000 2.829 383 N HA -0.181 4.559 4.740 -0.000 0.000 0.250 383 N C -0.847 174.561 175.510 -0.170 0.000 1.090 383 N CA 0.716 53.781 53.050 0.026 0.000 0.781 383 N CB -1.734 36.666 38.487 -0.144 0.000 1.124 383 N HN 0.228 nan 8.380 nan 0.000 0.559 384 F N 1.184 121.133 119.950 -0.002 0.000 2.375 384 F HA 0.323 4.850 4.527 -0.000 0.000 0.333 384 F C 1.789 177.573 175.800 -0.028 0.000 1.104 384 F CA -0.502 57.483 58.000 -0.025 0.000 1.149 384 F CB 0.811 39.776 39.000 -0.058 0.000 1.190 384 F HN 0.045 nan 8.300 nan 0.000 0.533 385 N N 0.616 119.431 118.700 0.191 0.000 2.160 385 N HA 0.436 5.176 4.740 -0.000 0.000 0.226 385 N C -0.859 174.715 175.510 0.107 0.000 1.256 385 N CA 0.017 53.121 53.050 0.091 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 -0.540 122.401 122.820 0.202 0.000 2.606 386 A HA 0.765 5.085 4.320 -0.000 0.000 0.293 386 A C -1.747 176.044 177.584 0.346 0.000 1.082 386 A CA -0.635 51.578 52.037 0.294 0.000 0.685 386 A CB 1.734 20.949 19.000 0.358 0.000 1.284 386 A HN 0.287 nan 8.150 nan 0.000 0.408 387 V N 0.789 120.952 119.914 0.415 0.000 2.971 387 V HA 0.834 4.953 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 61.781 62.300 0.342 0.000 0.964 387 V CB 2.002 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 4.474 124.972 120.500 -0.003 0.000 2.387 388 R HA 0.493 4.833 4.340 -0.000 0.000 0.314 388 R C -0.801 175.370 176.300 -0.214 0.000 0.958 388 R CA -0.496 55.439 56.100 -0.275 0.000 0.846 388 R CB 1.275 31.154 30.300 -0.701 0.000 1.147 388 R HN 0.833 nan 8.270 nan 0.000 0.447 389 C N 4.222 123.422 119.300 -0.166 0.000 3.329 389 C HA 0.098 4.558 4.460 -0.000 0.000 0.537 389 C C 0.539 175.257 174.990 -0.455 0.000 1.034 389 C CA -0.422 58.443 59.018 -0.254 0.000 1.086 389 C CB -2.196 25.503 27.740 -0.068 0.000 1.392 389 C HN 0.687 nan 8.230 nan 0.000 0.612 390 S N 1.373 116.698 115.700 -0.626 0.000 2.481 390 S HA 0.154 4.624 4.470 -0.000 0.000 0.282 390 S C -0.112 173.625 174.600 -1.438 0.000 1.243 390 S CA 0.169 57.746 58.200 -1.039 0.000 1.078 390 S CB 0.077 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 -0.136 29.597 29.762 -0.048 0.000 1.783 391 H HN 0.889 nan 8.280 nan 0.000 0.513 392 Y N -2.754 117.644 120.300 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 -2.974 55.230 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 0.133 63.486 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 0.166 119.157 118.700 0.485 0.000 2.491 394 N HA 0.115 4.855 4.740 -0.000 0.000 0.279 394 N C -0.041 175.696 175.510 0.378 0.000 1.236 394 N CA -0.635 52.608 53.050 0.323 0.000 0.982 394 N CB 0.408 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 1.791 120.963 119.070 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 -0.795 55.359 56.048 0.178 0.000 1.429 395 H CB 1.043 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 0.878 64.187 63.100 0.347 0.000 0.849 396 P CB 0.155 31.892 31.700 0.062 0.000 0.787 397 L N -1.503 120.083 121.223 0.605 0.000 2.201 397 L HA -0.038 4.302 4.340 -0.000 0.000 0.212 397 L C 2.258 179.340 176.870 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 0.469 0.000 0.913 397 L HN 0.052 nan 8.230 nan 0.000 0.440 398 W N -0.284 121.086 121.300 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 -0.200 0.000 1.221 398 W CA 2.082 59.349 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 0.581 120.831 120.300 -0.083 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 -0.456 0.000 1.182 399 Y CB -1.333 36.580 38.460 -0.912 0.000 0.983 399 Y HN -0.198 nan 8.280 nan 0.000 0.524 400 T N 0.493 115.064 114.554 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 1.114 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 0.446 121.672 121.223 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 1.063 55.930 54.840 0.046 0.000 0.747 401 L CB -0.756 41.283 42.059 -0.033 0.000 0.896 401 L HN 0.383 nan 8.230 nan 0.000 0.432 402 C N -0.227 118.892 119.300 -0.301 0.000 2.425 402 C HA -0.144 4.316 4.460 -0.000 0.000 0.277 402 C C 2.398 177.423 174.990 0.059 0.000 1.280 402 C CA 0.382 59.261 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 0.444 120.881 120.400 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 55.289 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 -0.965 119.613 120.500 0.130 0.000 2.080 404 R HA 0.012 4.351 4.340 -0.000 0.000 0.222 404 R C 2.174 178.398 176.300 -0.127 0.000 1.107 404 R CA 0.554 56.651 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 -0.154 120.158 120.300 0.021 0.000 2.395 405 Y HA 0.127 4.676 4.550 -0.000 0.000 0.293 405 Y C 1.028 176.860 175.900 -0.113 0.000 1.123 405 Y CA 0.869 58.952 58.100 -0.028 0.000 1.227 405 Y CB 0.597 39.010 38.460 -0.078 0.000 1.012 405 Y HN 0.257 nan 8.280 nan 0.000 0.552 406 G N 1.136 109.958 108.800 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 -1.098 173.632 174.900 -0.284 0.000 1.020 406 G CA -0.551 44.424 45.100 -0.208 0.000 1.230 406 G HN 0.158 nan 8.290 nan 0.000 0.580 407 L N 0.747 121.877 121.223 -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 -1.335 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 1.789 122.195 120.300 0.177 0.000 2.319 408 Y HA 0.421 4.971 4.550 -0.000 0.000 0.328 408 Y C 0.205 176.216 175.900 0.185 0.000 1.133 408 Y CA -0.645 57.591 58.100 0.227 0.000 1.265 408 Y CB 1.376 39.955 38.460 0.198 0.000 1.218 408 Y HN 0.151 nan 8.280 nan 0.000 0.508 409 V N 3.753 123.847 119.914 0.300 0.000 2.735 409 V HA 0.384 4.503 4.120 -0.000 0.000 0.310 409 V C -0.703 175.476 176.094 0.142 0.000 1.061 409 V CA -1.039 61.386 62.300 0.208 0.000 0.913 409 V CB 2.068 33.982 31.823 0.151 0.000 1.005 409 V HN 0.450 nan 8.190 nan 0.000 0.428 410 V N 2.596 122.569 119.914 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 -0.398 61.915 62.300 0.023 0.000 0.847 410 V CB 1.554 33.310 31.823 -0.112 0.000 0.990 410 V HN 0.889 nan 8.190 nan 0.000 0.444 411 D N 3.991 124.463 120.400 0.119 0.000 2.249 411 D HA 0.333 4.972 4.640 -0.000 0.000 0.246 411 D C -0.274 176.204 176.300 0.296 0.000 1.114 411 D CA -0.049 54.111 54.000 0.268 0.000 0.854 411 D CB 1.333 42.336 40.800 0.339 0.000 1.132 411 D HN 0.694 nan 8.370 nan 0.000 0.461 412 E N 1.844 122.189 120.200 0.242 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 -1.062 55.466 56.400 0.213 0.000 0.761 412 E CB 1.356 31.133 29.700 0.128 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 4.340 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 19.182 19.000 0.115 0.000 1.008 413 A HN 0.700 nan 8.150 nan 0.000 0.497 414 N N 1.316 120.141 118.700 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 37.777 38.487 0.265 0.000 1.461 414 N HN 0.477 nan 8.380 nan 0.000 0.538 415 I N 0.661 121.343 120.570 0.186 0.000 2.500 415 I HA 0.280 4.449 4.170 -0.000 0.000 0.286 415 I C -0.598 175.608 176.117 0.148 0.000 1.063 415 I CA -0.680 60.711 61.300 0.151 0.000 1.062 415 I CB 1.928 39.991 38.000 0.106 0.000 1.223 415 I HN 0.211 nan 8.210 nan 0.000 0.435 416 E N 4.273 124.557 120.200 0.140 0.000 2.294 416 E HA 0.299 4.649 4.350 -0.000 0.000 0.272 416 E C -0.489 176.170 176.600 0.098 0.000 0.896 416 E CA -0.435 56.024 56.400 0.097 0.000 0.802 416 E CB 1.594 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 1.017 175.768 174.700 0.085 0.000 1.003 417 T CA -0.220 61.951 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 1.257 120.248 119.070 -0.132 0.000 2.325 418 H HA -0.149 4.407 4.556 -0.000 0.000 0.293 418 H C 2.292 177.488 175.328 -0.220 0.000 1.106 418 H CA 1.447 57.378 56.048 -0.194 0.000 1.247 418 H CB -0.282 29.333 29.762 -0.244 0.000 1.359 418 H HN 0.584 nan 8.280 nan 0.000 0.488 419 G N 0.242 108.878 108.800 -0.272 0.000 2.776 419 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.209 419 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.209 419 G C 0.562 175.555 174.900 0.156 0.000 1.145 419 G CA -0.085 44.890 45.100 -0.209 0.000 0.791 419 G HN 0.151 nan 8.290 nan 0.000 0.530 420 M N 0.021 119.752 119.600 0.218 0.000 2.113 420 M HA 0.346 4.826 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 -0.138 55.247 55.300 0.142 0.000 1.148 420 M CB 1.175 33.812 32.600 0.061 0.000 1.388 420 M HN -0.188 nan 8.290 nan 0.000 0.469 421 V N 2.206 122.127 119.914 0.012 0.000 2.567 421 V HA 0.326 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 1.931 33.745 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 1.098 178.393 177.300 -0.009 0.000 1.256 422 P CA -0.551 62.539 63.100 -0.016 0.000 0.795 422 P CB 0.752 32.444 31.700 -0.013 0.000 1.038 423 M N 0.813 120.413 119.600 0.001 0.000 2.260 423 M HA -0.205 4.275 4.480 -0.000 0.000 0.261 423 M C 0.962 177.273 176.300 0.018 0.000 1.066 423 M CA 1.922 57.232 55.300 0.016 0.000 1.082 423 M CB -0.380 32.223 32.600 0.004 0.000 1.388 423 M HN 0.386 nan 8.290 nan 0.000 0.419 424 N N -0.266 118.441 118.700 0.012 0.000 2.251 424 N HA -0.046 4.694 4.740 -0.000 0.000 0.217 424 N C 1.080 176.552 175.510 -0.063 0.000 1.124 424 N CA 0.054 53.106 53.050 0.003 0.000 0.843 424 N CB -0.638 37.869 38.487 0.034 0.000 1.024 424 N HN 0.353 nan 8.380 nan 0.000 0.501 425 R N 0.537 120.990 120.500 -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 -0.730 120.307 121.223 -0.310 0.000 2.202 426 L HA 0.025 4.365 4.340 -0.000 0.000 0.205 426 L C 2.446 179.133 176.870 -0.305 0.000 1.083 426 L CA 1.187 55.709 54.840 -0.530 0.000 0.790 426 L CB -0.614 40.861 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 1.219 175.799 174.700 -0.200 0.000 1.105 427 T CA 1.342 63.290 62.100 -0.254 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 1.208 121.530 120.400 -0.130 0.000 2.342 428 D HA 0.142 4.782 4.640 -0.000 0.000 0.221 428 D C -0.467 175.800 176.300 -0.054 0.000 1.101 428 D CA -0.248 53.695 54.000 -0.096 0.000 0.837 428 D CB -0.024 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 -0.513 119.871 120.400 -0.026 0.000 2.408 429 D HA 0.178 4.818 4.640 -0.000 0.000 0.243 429 D C -1.798 174.555 176.300 0.090 0.000 1.075 429 D CA -2.280 51.749 54.000 0.048 0.000 0.832 429 D CB 2.311 43.177 40.800 0.110 0.000 1.162 429 D HN -0.128 nan 8.370 nan 0.000 0.515 430 P HA -0.121 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 1.016 64.124 63.100 0.013 0.000 0.828 430 P CB 0.338 32.035 31.700 -0.005 0.000 0.783 431 R N -1.925 118.587 120.500 0.019 0.000 2.152 431 R HA -0.107 4.233 4.340 -0.000 0.000 0.232 431 R C 1.658 177.836 176.300 -0.203 0.000 1.117 431 R CA 1.257 57.299 56.100 -0.097 0.000 0.981 431 R CB -0.635 29.584 30.300 -0.136 0.000 0.870 431 R HN 0.317 nan 8.270 nan 0.000 0.451 432 W N -0.607 120.634 121.300 -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 0.038 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 2.322 123.585 121.223 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 -1.687 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 -0.085 0.000 1.153 434 P CA 2.109 65.151 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 -0.692 122.092 122.820 -0.061 0.000 1.877 435 A HA -0.195 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 1.956 53.988 52.037 -0.009 0.000 0.620 435 A CB -1.492 17.537 19.000 0.048 0.000 0.822 435 A HN 0.087 nan 8.150 nan 0.000 0.443 436 M N -0.220 119.399 119.600 0.032 0.000 2.159 436 M HA -0.145 4.335 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 1.717 57.011 55.300 -0.010 0.000 1.110 436 M CB -0.470 32.103 32.600 -0.046 0.000 1.374 436 M HN 0.658 nan 8.290 nan 0.000 0.411 437 S N 0.697 116.321 115.700 -0.127 0.000 2.365 437 S HA -0.200 4.270 4.470 -0.000 0.000 0.225 437 S C 1.683 176.121 174.600 -0.271 0.000 1.039 437 S CA 1.551 59.614 58.200 -0.229 0.000 1.033 437 S CB -0.362 62.699 63.200 -0.233 0.000 0.887 437 S HN 0.482 nan 8.310 nan 0.000 0.447 438 E N 0.731 120.820 120.200 -0.186 0.000 2.110 438 E HA -0.113 4.237 4.350 -0.000 0.000 0.193 438 E C 2.418 178.933 176.600 -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 0.263 120.708 120.500 -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 0.821 56.895 56.100 -0.043 0.000 0.975 439 R CB -0.031 30.279 30.300 0.017 0.000 0.866 439 R HN 0.007 nan 8.270 nan 0.000 0.446 440 V N 0.006 119.832 119.914 -0.147 0.000 2.374 440 V HA -0.169 3.951 4.120 -0.000 0.000 0.241 440 V C 2.411 178.341 176.094 -0.274 0.000 1.034 440 V CA 2.001 64.198 62.300 -0.172 0.000 1.037 440 V CB -0.305 31.413 31.823 -0.176 0.000 0.682 440 V HN 0.513 nan 8.190 nan 0.000 0.463 441 T N -0.381 113.885 114.554 -0.480 0.000 2.684 441 T HA -0.293 4.057 4.350 -0.000 0.000 0.267 441 T C 1.949 176.497 174.700 -0.253 0.000 1.036 441 T CA 1.691 63.434 62.100 -0.595 0.000 1.148 441 T CB -0.473 67.901 68.868 -0.825 0.000 0.863 441 T HN 0.394 nan 8.240 nan 0.000 0.436 442 R N 0.347 120.720 120.500 -0.212 0.000 2.096 442 R HA 0.118 4.458 4.340 -0.000 0.000 0.235 442 R C 2.697 178.921 176.300 -0.127 0.000 1.127 442 R CA 1.553 57.565 56.100 -0.147 0.000 0.968 442 R CB -0.501 29.722 30.300 -0.128 0.000 0.861 442 R HN 0.487 nan 8.270 nan 0.000 0.440 443 M N 0.653 120.184 119.600 -0.114 0.000 2.086 443 M HA -0.160 4.319 4.480 -0.000 0.000 0.261 443 M C 1.950 178.169 176.300 -0.136 0.000 1.067 443 M CA 1.663 56.920 55.300 -0.073 0.000 1.116 443 M CB 0.050 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 0.854 120.591 119.914 -0.295 0.000 2.343 444 V HA -0.305 3.815 4.120 -0.000 0.000 0.247 444 V C 2.283 178.261 176.094 -0.194 0.000 1.051 444 V CA 2.058 64.069 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 -0.714 119.009 119.800 -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 -0.071 0.000 0.905 445 Q HN 0.534 nan 8.270 nan 0.000 0.429 446 R N 0.157 120.566 120.500 -0.153 0.000 2.100 446 R HA -0.085 4.255 4.340 -0.000 0.000 0.220 446 R C 0.559 176.778 176.300 -0.135 0.000 1.091 446 R CA 1.248 57.235 56.100 -0.189 0.000 0.986 446 R CB 0.414 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 -0.144 120.235 120.400 -0.035 0.000 2.369 447 D HA -0.007 4.633 4.640 -0.000 0.000 0.211 447 D C 1.196 177.584 176.300 0.147 0.000 1.077 447 D CA 0.185 54.209 54.000 0.040 0.000 0.842 447 D CB 0.366 41.146 40.800 -0.033 0.000 0.947 447 D HN 0.318 nan 8.370 nan 0.000 0.509 448 R N 0.416 121.009 120.500 0.156 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 0.848 57.051 56.100 0.171 0.000 1.034 448 R CB -0.279 30.118 30.300 0.162 0.000 0.875 448 R HN -0.112 nan 8.270 nan 0.000 0.473 449 N N 0.078 118.676 118.700 -0.169 0.000 2.280 449 N HA -0.009 4.731 4.740 -0.000 0.000 0.192 449 N C -0.526 174.827 175.510 -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 38.434 38.487 -0.330 0.000 0.974 449 N HN 0.306 nan 8.380 nan 0.000 0.482 450 H N 1.720 120.700 119.070 -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 -1.120 54.822 56.048 -0.177 0.000 1.471 450 H CB 1.459 31.146 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 1.353 178.200 177.300 -0.755 0.000 1.149 451 P CA 1.163 63.906 63.100 -0.594 0.000 0.817 451 P CB 0.267 31.393 31.700 -0.958 0.000 0.785 452 S N -1.239 114.093 115.700 -0.613 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 -0.050 0.000 0.996 452 S CA 0.064 58.084 58.200 -0.300 0.000 0.942 452 S CB -1.231 61.946 63.200 -0.039 0.000 0.768 452 S HN -0.081 nan 8.310 nan 0.000 0.520 453 V N 3.510 123.355 119.914 -0.114 0.000 2.427 453 V HA 0.267 4.387 4.120 -0.000 0.000 0.268 453 V C 1.024 176.976 176.094 -0.237 0.000 1.046 453 V CA -0.131 62.072 62.300 -0.163 0.000 0.970 453 V CB 0.546 32.175 31.823 -0.323 0.000 1.001 453 V HN 0.628 nan 8.190 nan 0.000 0.476 454 I N 2.686 123.168 120.570 -0.148 0.000 4.288 454 I HA 0.511 4.681 4.170 -0.000 0.000 0.331 454 I C 0.322 176.321 176.117 -0.197 0.000 1.322 454 I CA 0.394 61.614 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 2.246 40.242 38.000 -0.005 0.000 1.243 455 I HN 0.014 nan 8.210 nan 0.000 0.424 456 W N 3.396 124.740 121.300 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 56.714 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 2.637 118.565 115.700 0.380 0.000 2.521 457 S HA 0.411 4.881 4.470 -0.000 0.000 0.295 457 S C 0.144 174.904 174.600 0.267 0.000 1.098 457 S CA -0.698 57.669 58.200 0.280 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 4.030 125.405 121.223 0.254 0.000 2.599 458 L HA 0.376 4.716 4.340 -0.000 0.000 0.230 458 L C 1.357 178.301 176.870 0.122 0.000 1.141 458 L CA 0.465 55.386 54.840 0.135 0.000 0.877 458 L CB -0.990 41.056 42.059 -0.021 0.000 1.009 458 L HN 0.977 nan 8.230 nan 0.000 0.447 459 G N -0.105 108.837 108.800 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 -1.784 173.287 174.900 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 -0.112 118.701 118.700 0.188 0.000 2.405 460 N HA 0.472 5.212 4.740 -0.000 0.000 0.274 460 N C -0.430 175.038 175.510 -0.070 0.000 1.170 460 N CA -0.022 53.003 53.050 -0.040 0.000 0.848 460 N CB 1.665 39.861 38.487 -0.486 0.000 1.629 460 N HN 0.845 nan 8.380 nan 0.000 0.481 461 E N 0.442 120.507 120.200 -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 -0.136 0.000 1.448 461 E CA 0.724 56.922 56.400 -0.338 0.000 0.672 461 E CB -1.253 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 0.052 115.817 115.700 0.108 0.000 2.843 462 S HA 0.392 4.862 4.470 -0.000 0.000 0.249 462 S C 0.730 175.493 174.600 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 64.694 63.200 0.283 0.000 0.936 462 S HN 0.829 nan 8.310 nan 0.000 0.531 463 G N 2.039 110.938 108.800 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 -0.479 174.629 174.900 0.348 0.000 1.271 463 G CA -0.031 45.168 45.100 0.165 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 0.285 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 0.005 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 0.476 175.203 174.900 -0.287 0.000 1.341 465 G CA -0.158 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 0.090 122.795 122.820 -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 1.927 53.907 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 -0.337 118.286 118.700 -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 1.654 54.621 53.050 -0.138 0.000 0.863 467 N CB -0.620 37.737 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 -0.027 4.529 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 1.249 57.267 56.048 -0.050 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 0.483 121.027 120.400 0.240 0.000 2.123 469 D HA -0.148 4.492 4.640 -0.000 0.000 0.196 469 D C 2.304 178.751 176.300 0.244 0.000 0.992 469 D CA 1.230 55.371 54.000 0.234 0.000 0.833 469 D CB -0.507 40.402 40.800 0.181 0.000 0.954 469 D HN 0.426 nan 8.370 nan 0.000 0.455 470 A N 0.693 123.607 122.820 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 53.127 52.037 0.141 0.000 0.623 470 A CB -0.729 18.312 19.000 0.070 0.000 0.818 470 A HN 0.217 nan 8.150 nan 0.000 0.443 471 L N -2.281 119.039 121.223 0.161 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 1.343 56.283 54.840 0.167 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 0.830 121.211 120.300 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 59.655 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 -0.076 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 2.069 178.361 176.300 -0.013 0.000 1.127 473 R CA 1.818 57.935 56.100 0.029 0.000 0.968 473 R CB -1.583 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 1.838 178.265 176.519 -0.152 0.000 1.206 474 W CA 1.571 58.859 57.345 -0.094 0.000 1.284 474 W CB -0.314 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 0.834 121.371 120.570 -0.055 0.000 2.226 475 I HA -0.326 3.844 4.170 -0.000 0.000 0.245 475 I C 2.358 178.247 176.117 -0.379 0.000 1.100 475 I CA 1.279 62.384 61.300 -0.325 0.000 1.374 475 I CB -0.825 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 0.901 121.097 120.400 -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 1.335 57.447 56.287 -0.292 0.000 0.933 476 K CB -0.411 31.886 32.500 -0.338 0.000 0.721 476 K HN 0.302 nan 8.250 nan 0.000 0.447 477 S N 0.531 116.041 115.700 -0.316 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 0.622 58.645 58.200 -0.295 0.000 0.965 477 S CB -0.027 63.008 63.200 -0.276 0.000 0.812 477 S HN -0.016 nan 8.310 nan 0.000 0.482 478 V N 1.266 120.819 119.914 -0.602 0.000 2.649 478 V HA 0.064 4.184 4.120 -0.000 0.000 0.248 478 V C 0.311 176.173 176.094 -0.386 0.000 1.054 478 V CA 1.161 63.100 62.300 -0.603 0.000 1.073 478 V CB -0.124 31.007 31.823 -1.154 0.000 0.699 478 V HN 0.368 nan 8.190 nan 0.000 0.463 479 D N -0.888 119.326 120.400 -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 -0.022 0.000 1.282 479 D CA -1.554 52.380 54.000 -0.111 0.000 0.927 479 D CB 1.686 42.513 40.800 0.044 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 1.030 178.344 177.300 0.022 0.000 1.191 480 P CA 0.345 63.433 63.100 -0.020 0.000 0.771 480 P CB 0.158 31.838 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 0.874 175.495 174.600 0.034 0.000 0.977 481 S CA -0.098 58.128 58.200 0.044 0.000 0.926 481 S CB -0.359 62.862 63.200 0.035 0.000 0.769 481 S HN 0.079 nan 8.310 nan 0.000 0.533 482 R N 1.010 121.542 120.500 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 0.068 0.000 0.991 482 R CA -2.175 53.921 56.100 -0.006 0.000 0.896 482 R CB 1.583 31.767 30.300 -0.193 0.000 1.201 482 R HN 0.129 nan 8.270 nan 0.000 0.457 483 P HA 0.169 nan 4.420 nan 0.000 0.274 483 P C -0.789 176.609 177.300 0.163 0.000 1.246 483 P CA -0.477 62.679 63.100 0.095 0.000 0.795 483 P CB 0.723 32.465 31.700 0.070 0.000 1.006 484 V N 1.618 121.659 119.914 0.210 0.000 2.555 484 V HA 0.455 4.575 4.120 -0.000 0.000 0.302 484 V C 0.184 176.453 176.094 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 3.462 123.417 119.800 0.258 0.000 2.451 485 Q HA 0.800 5.140 4.340 -0.000 0.000 0.281 485 Q C -1.880 174.267 176.000 0.246 0.000 1.099 485 Q CA -0.942 54.977 55.803 0.194 0.000 0.806 485 Q CB 2.973 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 0.338 120.641 120.300 0.004 0.000 2.314 486 Y HA 0.139 4.689 4.550 -0.000 0.000 0.317 486 Y C -0.506 175.330 175.900 -0.106 0.000 1.234 486 Y CA -0.666 57.404 58.100 -0.049 0.000 1.111 486 Y CB 1.967 40.388 38.460 -0.066 0.000 1.283 486 Y HN 0.963 nan 8.280 nan 0.000 0.418 487 E N 3.496 123.240 120.200 -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 0.749 56.779 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 -0.189 107.739 108.800 -1.453 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 44.915 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 1.267 176.157 174.900 -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 1.326 46.467 45.100 0.068 0.000 0.663 490 G HN 2.347 nan 8.290 nan 0.000 0.493 491 A N -0.184 122.614 122.820 -0.037 0.000 3.413 491 A HA -0.103 4.217 4.320 -0.000 0.000 0.268 491 A C 1.116 178.634 177.584 -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 17.107 19.000 -0.150 0.000 1.121 491 A HN 2.131 nan 8.150 nan 0.000 0.895 492 D N -1.115 119.290 120.400 0.008 0.000 2.636 492 D HA 0.285 4.925 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 0.240 0.000 1.117 492 D HN 0.862 nan 8.370 nan 0.000 0.480 493 T N -2.070 112.402 114.554 -0.136 0.000 2.652 493 T HA 0.153 4.503 4.350 -0.000 0.000 0.319 493 T C 1.623 176.187 174.700 -0.227 0.000 1.029 493 T CA 0.664 62.613 62.100 -0.251 0.000 0.990 493 T CB 0.694 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 -2.345 112.060 114.554 -0.248 0.000 3.113 494 T HA 0.210 4.560 4.350 -0.000 0.000 0.263 494 T C 1.667 176.087 174.700 -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 -0.102 0.000 0.922 494 T HN 0.828 nan 8.240 nan 0.000 0.521 495 A N 0.468 123.040 122.820 -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 -0.168 51.571 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 -0.268 0.000 2.912 496 T HA 0.393 4.743 4.350 -0.000 0.000 0.299 496 T C -0.590 174.125 174.700 0.025 0.000 1.052 496 T CA -0.454 61.636 62.100 -0.017 0.000 0.996 496 T CB 1.326 70.183 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 2.348 497 D HA 0.298 4.938 4.640 -0.000 0.000 0.211 497 D C 0.267 176.596 176.300 0.047 0.000 0.998 497 D CA 0.660 54.738 54.000 0.131 0.000 0.873 497 D CB 0.394 41.299 40.800 0.176 0.000 0.925 497 D HN 0.529 nan 8.370 nan 0.000 0.524 498 I N 0.804 121.382 120.570 0.013 0.000 2.582 498 I HA 0.259 4.429 4.170 -0.000 0.000 0.292 498 I C -0.304 175.746 176.117 -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 5.436 125.895 120.570 -0.185 0.000 2.436 499 I HA 0.082 4.252 4.170 -0.000 0.000 0.289 499 I C 0.027 175.936 176.117 -0.346 0.000 1.083 499 I CA -0.044 61.056 61.300 -0.333 0.000 1.372 499 I CB 0.164 37.863 38.000 -0.502 0.000 1.408 499 I HN 0.653 nan 8.210 nan 0.000 0.516 500 C N 5.530 124.641 119.300 -0.314 0.000 3.414 500 C HA 0.480 4.940 4.460 -0.000 0.000 0.208 500 C C -2.224 172.621 174.990 -0.243 0.000 1.422 500 C CA -2.288 56.590 59.018 -0.234 0.000 1.437 500 C CB -0.874 26.787 27.740 -0.132 0.000 1.850 500 C HN 0.401 nan 8.230 nan 0.000 0.481 501 P HA 0.381 nan 4.420 nan 0.000 0.275 501 P C -0.466 176.765 177.300 -0.116 0.000 1.266 501 P CA 0.128 63.112 63.100 -0.192 0.000 0.793 501 P CB 0.684 32.280 31.700 -0.172 0.000 1.074 502 M N -0.428 119.130 119.600 -0.069 0.000 2.197 502 M HA 0.475 4.955 4.480 -0.000 0.000 0.301 502 M C -0.987 175.271 176.300 -0.071 0.000 0.987 502 M CA -0.651 54.517 55.300 -0.221 0.000 0.921 502 M CB 1.525 33.965 32.600 -0.268 0.000 1.569 502 M HN 0.340 nan 8.290 nan 0.000 0.431 503 Y N -0.300 120.146 120.300 0.243 0.000 4.569 503 Y HA -0.201 4.349 4.550 -0.000 0.000 0.237 503 Y C 0.448 176.499 175.900 0.253 0.000 1.090 503 Y CA 0.436 58.680 58.100 0.240 0.000 2.052 503 Y CB -2.269 36.296 38.460 0.175 0.000 1.621 503 Y HN 0.994 nan 8.280 nan 0.000 0.682 504 A N 1.220 124.235 122.820 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 0.423 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 1.374 122.001 120.500 0.210 0.000 2.546 505 R HA 0.333 4.673 4.340 -0.000 0.000 0.266 505 R C 0.953 177.224 176.300 -0.048 0.000 1.086 505 R CA -0.753 55.411 56.100 0.106 0.000 1.160 505 R CB 0.539 30.873 30.300 0.056 0.000 1.138 505 R HN 0.469 nan 8.270 nan 0.000 0.567 506 V N 0.631 120.370 119.914 -0.292 0.000 2.283 506 V HA -0.191 3.929 4.120 -0.000 0.000 0.243 506 V C 0.930 176.908 176.094 -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 -1.587 118.732 120.400 -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 0.837 41.594 40.800 -0.071 0.000 1.040 507 D HN 0.482 nan 8.370 nan 0.000 0.505 508 E N 1.224 121.410 120.200 -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 1.960 122.357 120.400 -0.005 0.000 2.193 509 D HA 0.174 4.814 4.640 -0.000 0.000 0.249 509 D C -0.645 175.553 176.300 -0.169 0.000 1.034 509 D CA -0.164 53.825 54.000 -0.017 0.000 0.902 509 D CB 1.183 42.037 40.800 0.089 0.000 1.182 509 D HN 0.236 nan 8.370 nan 0.000 0.436 510 Q N 1.692 121.278 119.800 -0.357 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 -1.608 53.790 55.803 -0.676 0.000 0.707 510 Q CB 2.528 30.866 28.738 -0.666 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 -0.774 176.204 177.300 -0.537 0.000 1.826 511 P CA -0.168 62.516 63.100 -0.694 0.000 0.977 511 P CB -0.523 30.966 31.700 -0.352 0.000 1.930 512 F N 2.617 122.420 119.950 -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 -0.176 0.000 1.128 512 F CA -2.567 55.334 58.000 -0.166 0.000 1.268 512 F CB -0.347 38.569 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 0.322 177.637 177.300 0.026 0.000 1.204 513 P CA 0.860 63.977 63.100 0.029 0.000 0.768 513 P CB 1.176 32.893 31.700 0.029 0.000 0.842 514 A N 3.011 125.833 122.820 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 2.089 54.130 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 -3.220 116.694 119.914 -0.000 0.000 2.502 515 V HA 0.567 4.687 4.120 -0.000 0.000 0.261 515 V C -2.432 173.660 176.094 -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 31.982 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 -0.528 175.753 176.600 -0.532 0.000 0.978 517 K CA -0.282 55.747 56.287 -0.430 0.000 0.947 517 K CB 0.718 33.266 32.500 0.080 0.000 1.165 517 K HN 0.473 nan 8.250 nan 0.000 0.445 518 W N 1.392 122.378 121.300 -0.523 0.000 2.129 518 W HA 0.078 4.738 4.660 -0.000 0.000 0.349 518 W C 1.304 177.815 176.519 -0.012 0.000 1.279 518 W CA -0.684 56.452 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 3.075 118.928 115.700 0.255 0.000 2.552 519 S HA -0.070 4.400 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 -0.294 57.999 58.200 0.155 0.000 1.063 519 S CB 0.147 63.381 63.200 0.056 0.000 0.848 519 S HN 0.522 nan 8.310 nan 0.000 0.499 520 I N 2.342 123.016 120.570 0.172 0.000 2.454 520 I HA -0.157 4.013 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 1.147 62.551 61.300 0.174 0.000 1.433 520 I CB -0.495 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 2.052 122.375 120.400 -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 -0.039 0.000 1.052 521 K CA 1.522 57.652 56.287 -0.261 0.000 0.948 521 K CB -0.281 31.969 32.500 -0.418 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 -0.133 4.187 4.320 -0.000 0.000 0.203 522 K C 1.865 178.463 176.600 -0.003 0.000 1.052 522 K CA 0.509 56.783 56.287 -0.022 0.000 0.956 522 K CB -0.060 32.394 32.500 -0.078 0.000 0.735 522 K HN 0.169 nan 8.250 nan 0.000 0.451 523 W N 2.022 123.279 121.300 -0.072 0.000 2.342 523 W HA -0.175 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 1.199 58.513 57.345 -0.052 0.000 1.251 523 W CB -0.406 29.115 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 0.250 0.000 2.191 524 L HA -0.211 4.129 4.340 -0.000 0.000 0.212 524 L C 2.479 179.405 176.870 0.095 0.000 1.103 524 L CA 1.772 56.697 54.840 0.142 0.000 0.769 524 L CB -0.981 41.142 42.059 0.105 0.000 0.908 524 L HN -0.031 nan 8.230 nan 0.000 0.438 525 S N -0.927 114.807 115.700 0.058 0.000 2.575 525 S HA 0.158 4.628 4.470 -0.000 0.000 0.215 525 S C 0.766 175.343 174.600 -0.038 0.000 0.966 525 S CA -0.464 57.743 58.200 0.011 0.000 0.911 525 S CB -0.432 62.770 63.200 0.003 0.000 0.780 525 S HN 0.187 nan 8.310 nan 0.000 0.514 526 L N 2.145 123.332 121.223 -0.060 0.000 2.506 526 L HA 0.241 4.581 4.340 -0.000 0.000 0.281 526 L C -2.236 174.601 176.870 -0.056 0.000 1.228 526 L CA -1.728 53.037 54.840 -0.124 0.000 0.850 526 L CB -0.431 41.518 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 0.795 178.087 177.300 -0.015 0.000 1.185 527 P CA 0.916 63.992 63.100 -0.040 0.000 0.763 527 P CB 0.570 32.241 31.700 -0.048 0.000 0.776 528 G N 1.986 110.784 108.800 -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 -0.001 45.105 45.100 0.009 0.000 0.632 528 G HN 0.605 nan 8.290 nan 0.000 0.529 529 E N 1.137 121.355 120.200 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 0.640 57.070 56.400 0.051 0.000 0.872 529 E CB 0.837 30.594 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 -0.036 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 -0.228 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 2.061 123.194 121.223 -0.150 0.000 2.376 533 L HA 0.583 4.923 4.340 -0.000 0.000 0.275 533 L C -1.168 175.563 176.870 -0.231 0.000 0.987 533 L CA -0.566 54.146 54.840 -0.213 0.000 0.828 533 L CB 0.639 42.563 42.059 -0.225 0.000 1.249 533 L HN 0.222 nan 8.230 nan 0.000 0.409 534 I N 5.747 126.184 120.570 -0.221 0.000 2.500 534 I HA 0.264 4.434 4.170 -0.000 0.000 0.286 534 I C -0.788 175.236 176.117 -0.154 0.000 1.063 534 I CA -0.556 60.606 61.300 -0.229 0.000 1.062 534 I CB 2.039 39.958 38.000 -0.134 0.000 1.223 534 I HN 0.482 nan 8.210 nan 0.000 0.435 535 L N 5.669 126.773 121.223 -0.198 0.000 2.410 535 L HA 0.051 4.391 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 54.602 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 0.607 119.952 119.300 0.075 0.000 2.446 536 C HA 0.095 4.555 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 -0.079 59.015 59.018 0.128 0.000 1.763 536 C CB -0.985 26.743 27.740 -0.021 0.000 1.929 536 C HN 0.825 nan 8.230 nan 0.000 0.509 537 E N -0.826 119.423 120.200 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 56.046 56.400 0.069 0.000 0.764 537 E CB 1.831 31.410 29.700 -0.202 0.000 1.216 537 E HN 0.693 nan 8.360 nan 0.000 0.419 538 Y N -0.911 119.381 120.300 -0.014 0.000 2.670 538 Y HA 0.669 5.218 4.550 -0.000 0.000 0.334 538 Y C -0.593 175.475 175.900 0.280 0.000 1.185 538 Y CA -0.997 57.106 58.100 0.004 0.000 1.053 538 Y CB 1.025 39.367 38.460 -0.197 0.000 1.298 538 Y HN 0.653 nan 8.280 nan 0.000 0.459 539 A N 1.928 124.809 122.820 0.101 0.000 2.303 539 A HA -0.270 4.050 4.320 -0.000 0.000 0.286 539 A C -0.358 177.359 177.584 0.222 0.000 1.429 539 A CA 1.037 53.126 52.037 0.086 0.000 0.738 539 A CB -2.496 16.418 19.000 -0.144 0.000 1.149 539 A HN 1.058 nan 8.150 nan 0.000 0.364 540 H N 0.863 120.086 119.070 0.255 0.000 3.226 540 H HA 0.225 4.781 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 0.793 57.001 56.048 0.267 0.000 1.435 540 H CB 0.348 30.146 29.762 0.060 0.000 1.533 540 H HN 0.817 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 -0.290 51.647 52.037 -0.167 0.000 1.129 541 A CB -0.673 18.211 19.000 -0.194 0.000 0.928 541 A HN 0.793 nan 8.150 nan 0.000 0.557 542 M N 1.346 120.807 119.600 -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 1.238 56.404 55.300 -0.223 0.000 1.148 542 M CB -0.322 32.193 32.600 -0.143 0.000 1.663 542 M HN 0.796 nan 8.290 nan 0.000 0.464 543 G N 4.328 112.957 108.800 -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 -0.279 174.157 174.900 -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 -1.000 0.000 2.421 544 N HA 0.524 5.264 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 0.525 38.571 38.487 -0.736 0.000 1.273 544 N HN 0.792 nan 8.380 nan 0.000 0.497 545 S N 1.910 117.440 115.700 -0.283 0.000 2.998 545 S HA 0.588 5.058 4.470 -0.000 0.000 0.321 545 S C -0.191 174.336 174.600 -0.122 0.000 1.171 545 S CA -0.396 57.695 58.200 -0.182 0.000 0.882 545 S CB 0.170 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 0.193 121.376 121.223 -0.067 0.000 4.613 546 L HA -0.067 4.273 4.340 -0.000 0.000 0.409 546 L C 0.461 177.362 176.870 0.051 0.000 1.100 546 L CA 0.894 55.714 54.840 -0.033 0.000 1.029 546 L CB -1.712 40.240 42.059 -0.178 0.000 2.137 546 L HN 0.702 nan 8.230 nan 0.000 0.713 547 G N -0.854 107.951 108.800 0.009 0.000 2.378 547 G HA2 0.486 4.446 3.960 -0.000 0.000 0.255 547 G HA3 0.486 4.446 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 1.584 110.439 108.800 0.092 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 0.719 45.933 45.100 0.190 0.000 0.641 548 G HN 0.775 nan 8.290 nan 0.000 0.527 549 F N 1.872 121.950 119.950 0.214 0.000 2.126 549 F HA 0.117 4.644 4.527 -0.000 0.000 0.299 549 F C 2.669 178.692 175.800 0.371 0.000 1.096 549 F CA 2.553 60.747 58.000 0.322 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 -0.125 122.853 122.820 0.263 0.000 1.972 550 A HA -0.206 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 53.742 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 0.408 nan 8.150 nan 0.000 0.446 551 K N -1.447 118.960 120.400 0.012 0.000 2.063 551 K HA -0.201 4.119 4.320 -0.000 0.000 0.208 551 K C 1.810 178.192 176.600 -0.363 0.000 1.048 551 K CA 1.938 58.142 56.287 -0.139 0.000 0.928 551 K CB -0.385 32.008 32.500 -0.178 0.000 0.713 551 K HN 0.673 nan 8.250 nan 0.000 0.442 552 Y N -0.690 119.346 120.300 -0.440 0.000 2.145 552 Y HA -0.259 4.291 4.550 -0.000 0.000 0.286 552 Y C 2.173 177.144 175.900 -1.548 0.000 1.145 552 Y CA 1.362 58.849 58.100 -1.021 0.000 1.148 552 Y CB -0.397 37.466 38.460 -0.994 0.000 0.981 552 Y HN 0.169 nan 8.280 nan 0.000 0.507 553 W N 0.147 121.042 121.300 -0.676 0.000 2.374 553 W HA -0.192 4.468 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 58.648 57.345 -0.471 0.000 1.245 553 W CB -0.546 28.724 29.460 -0.317 0.000 1.126 553 W HN 0.112 nan 8.180 nan 0.000 0.545 554 Q N -0.029 119.672 119.800 -0.164 0.000 2.079 554 Q HA -0.149 4.191 4.340 -0.000 0.000 0.200 554 Q C 2.329 178.258 176.000 -0.118 0.000 0.974 554 Q CA 1.684 57.434 55.803 -0.088 0.000 0.840 554 Q CB -0.330 28.371 28.738 -0.062 0.000 0.898 554 Q HN 0.258 nan 8.270 nan 0.000 0.430 555 A N 0.153 122.808 122.820 -0.274 0.000 1.902 555 A HA -0.144 4.176 4.320 -0.000 0.000 0.217 555 A C 1.828 179.366 177.584 -0.076 0.000 1.181 555 A CA 1.024 52.937 52.037 -0.207 0.000 0.623 555 A CB -1.001 17.751 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 1.082 58.882 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 -0.001 120.557 120.500 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 1.004 57.149 56.100 0.075 0.000 0.985 557 R CB -0.247 30.093 30.300 0.066 0.000 0.880 557 R HN 0.374 nan 8.270 nan 0.000 0.451 558 Q N -0.571 119.294 119.800 0.109 0.000 2.302 558 Q HA -0.022 4.317 4.340 -0.000 0.000 0.202 558 Q C -0.560 175.470 176.000 0.051 0.000 0.936 558 Q CA 0.700 56.557 55.803 0.089 0.000 0.886 558 Q CB 0.472 29.286 28.738 0.127 0.000 0.986 558 Q HN 0.167 nan 8.270 nan 0.000 0.487 559 Y N 0.109 120.391 120.300 -0.030 0.000 2.331 559 Y HA 0.297 4.847 4.550 -0.000 0.000 0.338 559 Y C -1.800 174.076 175.900 -0.039 0.000 0.976 559 Y CA -2.859 55.223 58.100 -0.030 0.000 1.137 559 Y CB 1.515 39.960 38.460 -0.024 0.000 1.172 559 Y HN 0.081 nan 8.280 nan 0.000 0.478 560 P HA -0.149 nan 4.420 nan 0.000 0.215 560 P C 1.110 178.416 177.300 0.009 0.000 1.157 560 P CA 1.753 64.862 63.100 0.015 0.000 0.868 560 P CB 0.324 32.015 31.700 -0.014 0.000 0.788 561 R N -0.947 119.575 120.500 0.037 0.000 2.339 561 R HA 0.089 4.429 4.340 -0.000 0.000 0.199 561 R C 0.423 176.703 176.300 -0.034 0.000 1.018 561 R CA 0.196 56.297 56.100 0.001 0.000 1.036 561 R CB -0.537 29.772 30.300 0.015 0.000 0.899 561 R HN 0.280 nan 8.270 nan 0.000 0.473 562 L N 1.984 123.202 121.223 -0.010 0.000 2.302 562 L HA 0.147 4.487 4.340 -0.000 0.000 0.285 562 L C 0.724 177.453 176.870 -0.234 0.000 1.090 562 L CA 0.062 54.849 54.840 -0.087 0.000 0.866 562 L CB 1.178 43.258 42.059 0.034 0.000 1.244 562 L HN 0.035 nan 8.230 nan 0.000 0.435 563 Q N 2.681 122.278 119.800 -0.339 0.000 2.222 563 Q HA 0.309 4.649 4.340 -0.000 0.000 0.206 563 Q C 0.855 176.449 176.000 -0.677 0.000 0.877 563 Q CA 0.127 55.690 55.803 -0.400 0.000 0.958 563 Q CB 0.940 29.529 28.738 -0.248 0.000 1.075 563 Q HN 0.938 nan 8.270 nan 0.000 0.483 564 G N -0.388 107.650 108.800 -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 -0.435 173.681 174.900 -1.307 0.000 1.238 564 G CA -0.738 43.297 45.100 -1.775 0.000 1.119 564 G HN 0.525 nan 8.290 nan 0.000 0.514 565 G N -2.166 106.123 108.800 -0.852 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 -0.165 0.000 1.313 565 G CA -0.351 44.465 45.100 -0.473 0.000 0.830 565 G HN 1.124 nan 8.290 nan 0.000 0.506 566 F N 0.614 120.795 119.950 0.385 0.000 2.460 566 F HA 0.533 5.059 4.527 -0.000 0.000 0.341 566 F C 0.725 176.818 175.800 0.488 0.000 1.130 566 F CA -0.754 57.502 58.000 0.426 0.000 0.962 566 F CB 2.116 41.269 39.000 0.254 0.000 1.171 566 F HN 0.260 nan 8.300 nan 0.000 0.436 567 V N 3.079 123.304 119.914 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 -0.333 62.089 62.300 0.203 0.000 1.124 567 V CB 0.943 32.865 31.823 0.164 0.000 0.987 567 V HN 0.779 nan 8.190 nan 0.000 0.487 568 W N 5.990 127.365 121.300 0.126 0.000 2.336 568 W HA 0.468 5.128 4.660 -0.000 0.000 0.315 568 W C -1.049 175.489 176.519 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 2.646 122.718 120.400 -0.548 0.000 2.812 569 D HA 0.123 4.763 4.640 -0.000 0.000 0.318 569 D C 0.675 176.761 176.300 -0.358 0.000 1.234 569 D CA -0.557 53.013 54.000 -0.716 0.000 0.989 569 D CB 0.283 40.126 40.800 -1.594 0.000 1.442 569 D HN 0.411 nan 8.370 nan 0.000 0.537 570 W N 0.571 121.564 121.300 -0.512 0.000 2.381 570 W HA 0.081 4.741 4.660 -0.000 0.000 0.321 570 W C -0.124 176.169 176.519 -0.377 0.000 1.196 570 W CA 1.359 58.457 57.345 -0.411 0.000 1.304 570 W CB 0.196 29.444 29.460 -0.354 0.000 1.166 570 W HN 0.224 nan 8.180 nan 0.000 0.473 571 V N 0.806 120.527 119.914 -0.321 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 -0.219 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 0.194 176.345 176.300 -0.248 0.000 1.138 572 D CA 0.534 54.402 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 -0.367 175.630 176.000 -0.005 0.000 1.321 573 Q CA -0.374 55.070 55.803 -0.598 0.000 1.050 573 Q CB 0.198 28.634 28.738 -0.503 0.000 1.498 573 Q HN 0.350 nan 8.270 nan 0.000 0.503 574 S N -0.067 115.732 115.700 0.165 0.000 2.565 574 S HA 0.668 5.138 4.470 -0.000 0.000 0.290 574 S C -0.226 174.558 174.600 0.307 0.000 1.150 574 S CA -0.821 57.573 58.200 0.323 0.000 1.058 574 S CB 1.610 64.970 63.200 0.267 0.000 1.032 574 S HN 0.328 nan 8.310 nan 0.000 0.510 575 L N 1.802 123.140 121.223 0.190 0.000 2.334 575 L HA 0.573 4.913 4.340 -0.000 0.000 0.273 575 L C -0.376 176.420 176.870 -0.123 0.000 1.013 575 L CA -1.065 53.754 54.840 -0.035 0.000 0.816 575 L CB 1.546 43.453 42.059 -0.253 0.000 1.278 575 L HN 0.645 nan 8.230 nan 0.000 0.431 576 I N 2.275 122.713 120.570 -0.219 0.000 2.474 576 I HA 0.200 4.370 4.170 -0.000 0.000 0.287 576 I C 0.072 175.836 176.117 -0.588 0.000 1.048 576 I CA 0.198 61.251 61.300 -0.412 0.000 1.383 576 I CB 0.738 38.510 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 -1.056 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 -1.277 0.000 1.015 577 K CA -0.865 54.729 56.287 -1.155 0.000 0.860 577 K CB 2.343 33.858 32.500 -1.642 0.000 1.359 577 K HN 0.249 nan 8.250 nan 0.000 0.452 578 Y N 0.403 120.459 120.300 -0.407 0.000 2.499 578 Y HA 0.184 4.734 4.550 -0.000 0.000 0.347 578 Y C -0.153 175.861 175.900 0.189 0.000 0.987 578 Y CA -1.227 56.830 58.100 -0.072 0.000 1.044 578 Y CB 1.357 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 -0.267 120.398 120.400 0.441 0.000 2.340 579 D HA 0.162 4.802 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 41.899 40.800 0.186 0.000 1.137 579 D HN 0.562 nan 8.370 nan 0.000 0.475 580 E N 0.437 120.706 120.200 0.114 0.000 2.253 580 E HA -0.248 4.101 4.350 -0.000 0.000 0.202 580 E C 0.660 177.294 176.600 0.057 0.000 1.014 580 E CA 1.398 57.838 56.400 0.066 0.000 0.823 580 E CB -0.612 29.110 29.700 0.037 0.000 0.736 580 E HN 0.431 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 0.743 39.262 38.487 0.053 0.000 0.989 581 N HN 0.345 nan 8.380 nan 0.000 0.468 582 G N 1.066 109.928 108.800 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 -0.306 44.858 45.100 0.107 0.000 0.807 582 G HN 0.272 nan 8.290 nan 0.000 0.502 583 N N 1.163 120.036 118.700 0.289 0.000 2.438 583 N HA 0.514 5.254 4.740 -0.000 0.000 0.282 583 N C -2.528 173.142 175.510 0.267 0.000 1.037 583 N CA -1.420 51.788 53.050 0.263 0.000 0.942 583 N CB 2.174 40.765 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 -0.569 176.670 177.300 -0.102 0.000 1.267 584 P CA -0.452 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 -0.279 120.751 121.300 -0.451 0.000 3.083 585 W HA 0.472 5.132 4.660 -0.000 0.000 0.333 585 W C -1.412 174.919 176.519 -0.313 0.000 1.217 585 W CA -1.125 55.976 57.345 -0.406 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 1.494 117.284 115.700 0.151 0.000 2.474 586 S HA 0.556 5.026 4.470 -0.000 0.000 0.276 586 S C 0.124 174.916 174.600 0.321 0.000 1.227 586 S CA -0.211 58.077 58.200 0.145 0.000 1.050 586 S CB 0.670 63.998 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 0.866 5.186 4.320 -0.000 0.000 0.331 587 A C -0.743 177.119 177.584 0.463 0.000 1.140 587 A CA -0.726 51.392 52.037 0.134 0.000 0.801 587 A CB 0.669 19.471 19.000 -0.330 0.000 1.234 587 A HN 0.840 nan 8.150 nan 0.000 0.469 588 Y N -0.548 120.087 120.300 0.559 0.000 2.857 588 Y HA 0.771 5.321 4.550 -0.000 0.000 0.318 588 Y C 0.602 176.851 175.900 0.582 0.000 1.313 588 Y CA -1.433 56.977 58.100 0.515 0.000 1.117 588 Y CB 0.015 38.600 38.460 0.209 0.000 1.344 588 Y HN 0.945 nan 8.280 nan 0.000 0.525 589 G N 0.005 109.164 108.800 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 0.985 176.211 174.900 0.543 0.000 1.240 589 G CA 0.489 45.877 45.100 0.478 0.000 0.896 589 G HN 2.020 nan 8.290 nan 0.000 0.496 590 G N 2.186 111.277 108.800 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 0.915 176.020 174.900 0.341 0.000 0.988 590 G CA 0.712 46.036 45.100 0.374 0.000 0.625 590 G HN 0.656 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 4.782 4.640 -0.000 0.000 0.221 591 D C 1.315 177.497 176.300 -0.197 0.000 0.986 591 D CA 0.547 54.603 54.000 0.094 0.000 0.899 591 D CB -0.189 40.607 40.800 -0.006 0.000 0.902 591 D HN 0.480 nan 8.370 nan 0.000 0.530 592 F N -1.021 119.050 119.950 0.203 0.000 2.683 592 F HA 0.313 4.840 4.527 -0.000 0.000 0.306 592 F C 1.770 177.654 175.800 0.140 0.000 1.102 592 F CA -0.174 57.907 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 0.550 109.516 108.800 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 -0.160 174.881 174.900 0.234 0.000 0.977 593 G CA 0.135 45.361 45.100 0.210 0.000 0.652 593 G HN 0.423 nan 8.290 nan 0.000 0.531 594 D N 0.744 121.335 120.400 0.317 0.000 2.450 594 D HA 0.406 5.046 4.640 -0.000 0.000 0.247 594 D C -0.090 176.337 176.300 0.211 0.000 1.162 594 D CA 0.692 54.867 54.000 0.293 0.000 0.879 594 D CB 1.062 42.095 40.800 0.389 0.000 1.163 594 D HN 0.085 nan 8.370 nan 0.000 0.472 595 T N 2.837 117.487 114.554 0.160 0.000 2.971 595 T HA 0.452 4.801 4.350 -0.000 0.000 0.304 595 T C -2.369 172.374 174.700 0.071 0.000 1.038 595 T CA -0.979 61.183 62.100 0.104 0.000 1.007 595 T CB 1.965 70.889 68.868 0.093 0.000 1.055 595 T HN 0.400 nan 8.240 nan 0.000 0.451 596 P HA 0.502 nan 4.420 nan 0.000 0.278 596 P C -1.095 176.193 177.300 -0.021 0.000 1.258 596 P CA -0.692 62.407 63.100 -0.001 0.000 0.811 596 P CB 0.847 32.519 31.700 -0.047 0.000 1.063 597 N N -0.547 118.148 118.700 -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 -0.024 0.000 0.789 597 N CB 1.636 40.203 38.487 0.133 0.000 1.514 597 N HN 0.231 nan 8.380 nan 0.000 0.499 598 D N -0.146 120.225 120.400 -0.047 0.000 2.593 598 D HA 0.125 4.764 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 1.042 41.749 40.800 -0.156 0.000 1.049 598 D HN 0.648 nan 8.370 nan 0.000 0.490 599 R N 0.347 121.053 120.500 0.344 0.000 3.682 599 R HA -0.374 3.966 4.340 -0.000 0.000 0.519 599 R C 0.991 177.285 176.300 -0.011 0.000 0.241 599 R CA 1.496 57.766 56.100 0.284 0.000 1.619 599 R CB -1.400 28.993 30.300 0.156 0.000 0.923 599 R HN 0.012 nan 8.270 nan 0.000 0.598 600 Q N 0.637 120.122 119.800 -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 -0.251 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 0.504 120.341 119.950 -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 -0.113 0.000 1.060 601 F CA 1.011 58.991 58.000 -0.034 0.000 1.398 601 F CB -0.458 38.599 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 0.992 175.788 174.990 -0.324 0.000 1.382 602 C CA -0.531 58.062 59.018 -0.709 0.000 1.742 602 C CB -1.620 25.157 27.740 -1.605 0.000 1.812 602 C HN 0.200 nan 8.230 nan 0.000 0.559 603 M N 2.948 122.400 119.600 -0.247 0.000 2.060 603 M HA 0.346 4.826 4.480 -0.000 0.000 0.342 603 M C -0.527 175.665 176.300 -0.179 0.000 1.031 603 M CA 0.216 55.408 55.300 -0.181 0.000 0.981 603 M CB 0.547 33.072 32.600 -0.125 0.000 1.376 603 M HN 0.179 nan 8.290 nan 0.000 0.397 604 N N 1.532 120.123 118.700 -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 39.827 38.487 -0.090 0.000 1.303 604 N HN 0.705 nan 8.380 nan 0.000 0.498 605 G N -0.250 108.321 108.800 -0.381 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 0.821 175.289 174.900 -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 -0.311 120.492 121.223 -0.699 0.000 2.446 606 L HA 0.161 4.501 4.340 -0.000 0.000 0.219 606 L C 0.685 176.958 176.870 -0.995 0.000 1.116 606 L CA 0.239 54.670 54.840 -0.682 0.000 0.844 606 L CB -0.106 41.699 42.059 -0.425 0.000 0.970 606 L HN 0.376 nan 8.230 nan 0.000 0.457 607 V N -5.065 114.146 119.914 -1.171 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 -0.815 0.000 1.099 607 V CA -1.219 60.493 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 1.674 121.452 119.950 -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 0.511 58.470 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 1.081 123.990 122.820 0.147 0.000 2.042 609 A HA -0.286 4.034 4.320 -0.000 0.000 0.222 609 A C 1.531 179.090 177.584 -0.041 0.000 1.167 609 A CA 2.149 54.214 52.037 0.047 0.000 0.649 609 A CB -1.118 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 0.606 176.886 176.300 -0.034 0.000 1.039 610 D CA -0.018 53.950 54.000 -0.053 0.000 0.866 610 D CB -0.058 40.714 40.800 -0.047 0.000 0.913 610 D HN 0.208 nan 8.370 nan 0.000 0.523 611 R N -1.000 119.472 120.500 -0.045 0.000 3.774 611 R HA -0.123 4.217 4.340 -0.000 0.000 0.320 611 R C -0.501 175.781 176.300 -0.030 0.000 1.175 611 R CA 1.139 57.193 56.100 -0.076 0.000 0.849 611 R CB -3.279 27.011 30.300 -0.017 0.000 1.365 611 R HN 0.566 nan 8.270 nan 0.000 0.502 612 T N -2.540 112.047 114.554 0.054 0.000 2.824 612 T HA 0.725 5.074 4.350 -0.000 0.000 0.280 612 T C -2.570 172.255 174.700 0.210 0.000 0.995 612 T CA -2.464 59.711 62.100 0.124 0.000 1.009 612 T CB 2.536 71.473 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 0.159 31.858 31.700 -0.001 0.000 0.842 614 H N 3.787 122.661 119.070 -0.326 0.000 2.505 614 H HA 0.132 4.688 4.556 -0.000 0.000 0.355 614 H C -1.170 174.057 175.328 -0.169 0.000 1.179 614 H CA -2.018 53.825 56.048 -0.341 0.000 1.343 614 H CB 0.707 30.231 29.762 -0.397 0.000 1.501 614 H HN 0.324 nan 8.280 nan 0.000 0.569 615 P HA -0.124 nan 4.420 nan 0.000 0.220 615 P C 1.165 178.461 177.300 -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 -0.032 122.785 122.820 -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 1.321 53.321 52.037 -0.061 0.000 0.643 616 A CB -1.646 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 -0.106 121.084 121.223 -0.055 0.000 2.127 617 L HA -0.140 4.200 4.340 -0.000 0.000 0.211 617 L C 2.351 179.253 176.870 0.053 0.000 1.089 617 L CA 2.653 57.488 54.840 -0.008 0.000 0.757 617 L CB -0.773 41.279 42.059 -0.012 0.000 0.899 617 L HN 0.387 nan 8.230 nan 0.000 0.434 618 T N -1.355 113.237 114.554 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 0.158 0.000 1.059 618 T CA 1.267 63.459 62.100 0.152 0.000 1.137 618 T CB -0.117 68.830 68.868 0.132 0.000 0.879 618 T HN 0.346 nan 8.240 nan 0.000 0.467 619 E N 1.678 121.915 120.200 0.062 0.000 2.077 619 E HA -0.019 4.331 4.350 -0.000 0.000 0.193 619 E C 2.268 178.873 176.600 0.008 0.000 0.989 619 E CA 1.256 57.696 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 1.025 123.744 122.820 -0.169 0.000 1.902 620 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 620 A C 2.172 179.648 177.584 -0.181 0.000 1.181 620 A CA 1.984 53.886 52.037 -0.224 0.000 0.623 620 A CB -0.653 18.202 19.000 -0.243 0.000 0.818 620 A HN 0.275 nan 8.150 nan 0.000 0.443 621 K N -1.314 119.048 120.400 -0.063 0.000 2.063 621 K HA -0.276 4.044 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 1.944 58.198 56.287 -0.054 0.000 0.928 621 K CB -0.325 32.281 32.500 0.177 0.000 0.713 621 K HN 0.643 nan 8.250 nan 0.000 0.442 622 H N 0.469 119.347 119.070 -0.321 0.000 2.299 622 H HA -0.007 4.548 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 1.727 57.400 56.048 -0.626 0.000 1.323 622 H CB -0.004 29.389 29.762 -0.616 0.000 1.381 622 H HN 0.206 nan 8.280 nan 0.000 0.498 623 Q N 0.335 119.839 119.800 -0.493 0.000 2.226 623 Q HA -0.120 4.220 4.340 -0.000 0.000 0.204 623 Q C 1.632 177.097 176.000 -0.892 0.000 0.975 623 Q CA 1.343 56.785 55.803 -0.602 0.000 0.866 623 Q CB -0.051 28.477 28.738 -0.350 0.000 0.915 623 Q HN 0.718 nan 8.270 nan 0.000 0.440 624 Q N 0.883 120.135 119.800 -0.914 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 54.851 55.803 -1.141 0.000 0.946 624 Q CB 0.193 28.287 28.738 -1.074 0.000 1.062 624 Q HN 0.425 nan 8.270 nan 0.000 0.503 625 Q N -0.533 118.868 119.800 -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 0.266 55.790 55.803 -0.465 0.000 0.923 625 Q CB 0.410 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 0.364 120.066 119.950 -0.414 0.000 2.797 626 F HA 0.289 4.816 4.527 -0.000 0.000 0.302 626 F C -0.236 175.003 175.800 -0.935 0.000 1.130 626 F CA -0.065 57.463 58.000 -0.787 0.000 1.387 626 F CB 0.373 38.557 39.000 -1.360 0.000 1.107 626 F HN 0.347 nan 8.300 nan 0.000 0.577 627 F N 0.181 120.057 119.950 -0.123 0.000 2.520 627 F HA 0.481 5.008 4.527 -0.000 0.000 0.322 627 F C -0.094 175.391 175.800 -0.525 0.000 1.103 627 F CA -1.044 56.790 58.000 -0.276 0.000 0.926 627 F CB 1.347 40.197 39.000 -0.249 0.000 1.154 627 F HN -0.319 nan 8.300 nan 0.000 0.453 628 Q N 3.047 122.597 119.800 -0.416 0.000 2.377 628 Q HA 0.552 4.892 4.340 -0.000 0.000 0.271 628 Q C -1.456 174.199 176.000 -0.575 0.000 1.077 628 Q CA -0.704 54.850 55.803 -0.415 0.000 0.820 628 Q CB 3.152 31.794 28.738 -0.161 0.000 1.347 628 Q HN 0.552 nan 8.270 nan 0.000 0.444 629 F N 0.223 120.298 119.950 0.209 0.000 2.546 629 F HA 0.598 5.125 4.527 -0.000 0.000 0.320 629 F C 0.391 176.418 175.800 0.379 0.000 1.076 629 F CA -0.840 57.352 58.000 0.321 0.000 0.928 629 F CB 2.123 41.422 39.000 0.497 0.000 1.189 629 F HN 0.122 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 0.654 4.994 4.340 -0.000 0.000 0.283 630 R C -2.008 174.360 176.300 0.113 0.000 0.978 630 R CA -1.192 55.109 56.100 0.335 0.000 0.897 630 R CB 2.688 33.090 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 0.474 4.814 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 0.169 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 3.715 119.290 115.700 -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 0.379 63.534 63.200 -0.075 0.000 1.019 632 S HN 1.379 nan 8.310 nan 0.000 0.482 633 G N 4.198 112.912 108.800 -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 0.390 175.188 174.900 -0.170 0.000 1.172 633 G CA 0.567 45.588 45.100 -0.132 0.000 0.966 633 G HN 0.623 nan 8.290 nan 0.000 0.542 634 Q N 1.128 120.833 119.800 -0.157 0.000 2.194 634 Q HA 0.214 4.554 4.340 -0.000 0.000 0.214 634 Q C 0.059 175.937 176.000 -0.203 0.000 0.838 634 Q CA 0.639 56.329 55.803 -0.187 0.000 0.972 634 Q CB 1.061 29.708 28.738 -0.151 0.000 1.131 634 Q HN 0.553 nan 8.270 nan 0.000 0.498 635 T N 1.190 115.638 114.554 -0.178 0.000 2.767 635 T HA 0.518 4.868 4.350 -0.000 0.000 0.284 635 T C 0.134 174.734 174.700 -0.166 0.000 0.973 635 T CA -0.290 61.722 62.100 -0.148 0.000 0.996 635 T CB 1.403 70.215 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 0.477 176.625 176.117 0.051 0.000 0.987 636 I CA -0.612 60.646 61.300 -0.070 0.000 1.225 636 I CB 1.430 39.419 38.000 -0.018 0.000 1.366 636 I HN 0.615 nan 8.210 nan 0.000 0.466 637 E N 6.580 126.840 120.200 0.100 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 1.575 31.320 29.700 0.075 0.000 1.104 637 E HN 0.339 nan 8.360 nan 0.000 0.403 638 V N 4.077 124.077 119.914 0.143 0.000 2.427 638 V HA 0.347 4.467 4.120 -0.000 0.000 0.286 638 V C -0.000 176.114 176.094 0.035 0.000 1.034 638 V CA -0.488 61.858 62.300 0.077 0.000 0.893 638 V CB 1.770 33.664 31.823 0.117 0.000 0.982 638 V HN 0.730 nan 8.190 nan 0.000 0.452 639 T N 3.139 117.673 114.554 -0.033 0.000 2.841 639 T HA 0.385 4.735 4.350 -0.000 0.000 0.283 639 T C -0.233 174.475 174.700 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 1.606 117.325 115.700 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 63.891 63.200 0.075 0.000 1.004 640 S HN 0.710 nan 8.310 nan 0.000 0.493 641 E N 3.044 123.052 120.200 -0.320 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 0.349 29.894 29.700 -0.260 0.000 1.071 641 E HN 0.660 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 -0.276 57.697 58.100 -0.213 0.000 1.234 642 Y CB 0.989 39.301 38.460 -0.246 0.000 1.219 642 Y HN -0.003 nan 8.280 nan 0.000 0.497 643 L N 1.733 122.807 121.223 -0.249 0.000 2.463 643 L HA 0.059 4.399 4.340 -0.000 0.000 0.219 643 L C 0.602 176.999 176.870 -0.788 0.000 1.088 643 L CA 0.688 55.128 54.840 -0.666 0.000 0.849 643 L CB 0.051 41.334 42.059 -1.293 0.000 1.012 643 L HN 0.663 nan 8.230 nan 0.000 0.468 644 F N -0.388 119.580 119.950 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 0.333 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 0.092 120.626 120.500 0.056 0.000 2.573 645 R HA 0.463 4.803 4.340 -0.000 0.000 0.272 645 R C -0.990 175.300 176.300 -0.017 0.000 1.009 645 R CA -0.671 55.406 56.100 -0.039 0.000 1.059 645 R CB 0.783 30.959 30.300 -0.207 0.000 1.112 645 R HN 0.073 nan 8.270 nan 0.000 0.517 646 H N 0.393 119.436 119.070 -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 -0.203 55.853 56.048 0.014 0.000 1.300 646 H CB 1.263 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 2.464 118.019 115.700 -0.241 0.000 3.829 647 S HA -0.015 4.455 4.470 -0.000 0.000 0.250 647 S C -0.084 174.608 174.600 0.154 0.000 1.263 647 S CA -0.236 57.997 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 0.716 121.217 120.400 0.169 0.000 2.427 648 D HA 0.110 4.750 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 -0.459 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 0.485 nan 8.370 nan 0.000 0.498 649 N N 0.170 118.928 118.700 0.096 0.000 2.605 649 N HA 0.133 4.873 4.740 -0.000 0.000 0.265 649 N C -1.630 173.937 175.510 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 0.088 120.339 120.200 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 55.839 56.400 0.061 0.000 0.770 650 E CB 1.956 31.659 29.700 0.006 0.000 1.212 650 E HN 0.085 nan 8.360 nan 0.000 0.415 651 L N 3.127 124.389 121.223 0.064 0.000 2.362 651 L HA 0.555 4.894 4.340 -0.000 0.000 0.275 651 L C -1.508 175.447 176.870 0.143 0.000 0.998 651 L CA -0.925 53.985 54.840 0.116 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 4.876 126.219 121.223 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 0.139 55.128 54.840 0.247 0.000 0.814 652 L CB 0.389 42.587 42.059 0.231 0.000 1.203 652 L HN 0.547 nan 8.230 nan 0.000 0.423 653 H N 5.934 125.068 119.070 0.107 0.000 2.488 653 H HA 0.346 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 30.680 29.762 -0.015 0.000 1.425 653 H HN 0.702 nan 8.280 nan 0.000 0.471 654 W N 3.667 125.032 121.300 0.109 0.000 2.850 654 W HA 0.593 5.253 4.660 -0.000 0.000 0.349 654 W C -1.313 175.248 176.519 0.070 0.000 1.133 654 W CA -1.452 55.950 57.345 0.095 0.000 1.117 654 W CB 1.570 31.079 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 -2.669 173.872 176.300 0.402 0.000 1.128 655 M CA -0.464 55.041 55.300 0.341 0.000 0.942 655 M CB 1.854 34.487 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 -0.175 176.039 176.094 0.199 0.000 1.029 656 V CA 0.007 62.484 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 4.485 127.433 122.820 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 0.871 nan 8.150 nan 0.000 0.404 658 L N 1.491 122.809 121.223 0.158 0.000 2.295 658 L HA 0.581 4.921 4.340 -0.000 0.000 0.281 658 L C -0.632 176.342 176.870 0.174 0.000 1.018 658 L CA 0.263 55.211 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 45.354 45.100 -0.205 0.000 0.623 660 G HN 0.449 nan 8.290 nan 0.000 0.514 661 K N 1.984 122.360 120.400 -0.040 0.000 2.211 661 K HA 0.588 4.908 4.320 -0.000 0.000 0.275 661 K C -2.684 173.916 176.600 0.000 0.000 1.024 661 K CA -2.022 54.247 56.287 -0.030 0.000 0.887 661 K CB 1.924 34.418 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 -0.215 62.882 63.100 -0.005 0.000 0.778 662 P CB 0.827 32.501 31.700 -0.043 0.000 0.895 663 L N 1.346 122.597 121.223 0.046 0.000 2.685 663 L HA 0.535 4.875 4.340 -0.000 0.000 0.235 663 L C 0.813 177.720 176.870 0.063 0.000 1.070 663 L CA 0.203 55.076 54.840 0.055 0.000 0.888 663 L CB 0.212 42.320 42.059 0.081 0.000 1.203 663 L HN 0.346 nan 8.230 nan 0.000 0.499 664 A N -0.144 122.726 122.820 0.083 0.000 2.577 664 A HA 0.718 5.038 4.320 -0.000 0.000 0.297 664 A C -0.964 176.559 177.584 -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 20.665 19.000 0.287 0.000 1.281 664 A HN -0.001 nan 8.150 nan 0.000 0.402 665 S N -0.284 115.129 115.700 -0.479 0.000 2.595 665 S HA 0.985 5.455 4.470 -0.000 0.000 0.281 665 S C -0.077 173.660 174.600 -1.438 0.000 1.117 665 S CA -0.318 57.319 58.200 -0.939 0.000 0.873 665 S CB 2.015 64.919 63.200 -0.492 0.000 1.108 665 S HN 2.156 nan 8.310 nan 0.000 0.477 666 G N 0.032 107.701 108.800 -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 -1.010 119.007 120.200 -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 -0.144 0.000 0.754 667 E CB 3.068 32.623 29.700 -0.242 0.000 1.201 667 E HN 0.348 nan 8.360 nan 0.000 0.425 668 V N 3.805 123.817 119.914 0.164 0.000 2.808 668 V HA 0.463 4.583 4.120 -0.000 0.000 0.308 668 V C -2.549 173.632 176.094 0.144 0.000 1.099 668 V CA -1.777 60.619 62.300 0.161 0.000 0.920 668 V CB 2.214 34.154 31.823 0.193 0.000 1.014 668 V HN 0.569 nan 8.190 nan 0.000 0.425 669 P HA 0.428 nan 4.420 nan 0.000 0.290 669 P C -0.884 176.468 177.300 0.087 0.000 1.276 669 P CA -0.377 62.782 63.100 0.097 0.000 0.808 669 P CB 1.132 32.883 31.700 0.086 0.000 0.966 670 L N 2.735 123.995 121.223 0.061 0.000 2.371 670 L HA 0.301 4.641 4.340 -0.000 0.000 0.272 670 L C 0.437 177.346 176.870 0.065 0.000 1.124 670 L CA 0.369 55.229 54.840 0.032 0.000 0.816 670 L CB 0.400 42.416 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 -1.267 175.024 176.300 -0.014 0.000 1.233 671 D CA -0.089 53.985 54.000 0.123 0.000 0.849 671 D CB 0.904 41.822 40.800 0.197 0.000 1.261 671 D HN 0.084 nan 8.370 nan 0.000 0.516 672 V N 0.563 120.324 119.914 -0.256 0.000 2.540 672 V HA 0.901 5.021 4.120 -0.000 0.000 0.302 672 V C 0.644 176.469 176.094 -0.449 0.000 1.035 672 V CA -1.362 60.829 62.300 -0.181 0.000 0.873 672 V CB 1.424 33.274 31.823 0.045 0.000 0.992 672 V HN 0.420 nan 8.190 nan 0.000 0.428 673 A N 5.645 128.375 122.820 -0.151 0.000 2.351 673 A HA 0.767 5.087 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 -1.625 50.423 52.037 0.018 0.000 0.798 673 A CB -0.067 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 -0.486 176.813 177.300 -0.002 0.000 1.183 674 P CA 0.664 63.779 63.100 0.026 0.000 0.761 674 P CB 0.360 32.059 31.700 -0.002 0.000 0.785 675 Q N -0.761 119.027 119.800 -0.019 0.000 2.416 675 Q HA -0.161 4.179 4.340 -0.000 0.000 0.235 675 Q C 0.690 176.686 176.000 -0.006 0.000 0.773 675 Q CA 1.300 57.084 55.803 -0.031 0.000 1.286 675 Q CB -2.213 26.495 28.738 -0.051 0.000 1.556 675 Q HN 0.762 nan 8.270 nan 0.000 0.650 676 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 -0.638 174.283 174.900 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 -0.542 119.882 120.400 0.040 0.000 2.328 677 K HA 0.499 4.819 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 2.408 34.929 32.500 0.036 0.000 1.208 677 K HN 0.511 nan 8.250 nan 0.000 0.432 678 Q N 3.114 122.951 119.800 0.063 0.000 2.289 678 Q HA 0.359 4.699 4.340 -0.000 0.000 0.270 678 Q C -1.665 174.375 176.000 0.067 0.000 1.038 678 Q CA -0.628 55.214 55.803 0.066 0.000 0.812 678 Q CB 1.356 30.137 28.738 0.072 0.000 1.300 678 Q HN 0.534 nan 8.270 nan 0.000 0.427 679 L N 5.219 126.473 121.223 0.052 0.000 2.282 679 L HA 0.546 4.886 4.340 -0.000 0.000 0.288 679 L C -0.437 176.453 176.870 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 0.020 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 -0.152 175.936 176.117 -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 6.791 126.964 120.200 -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 1.295 30.970 29.700 -0.041 0.000 1.056 681 E HN 0.474 nan 8.360 nan 0.000 0.407 682 L N 6.129 127.236 121.223 -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 1.027 42.814 42.059 -0.453 0.000 1.153 682 L HN 0.245 nan 8.230 nan 0.000 0.439 683 P HA -0.021 nan 4.420 nan 0.000 0.270 683 P C -0.473 176.783 177.300 -0.074 0.000 1.223 683 P CA -0.296 62.773 63.100 -0.051 0.000 0.785 683 P CB 0.509 32.238 31.700 0.047 0.000 0.923 684 E N 0.817 120.997 120.200 -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 0.015 56.395 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 6.446 127.645 121.223 -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 -2.112 52.719 54.840 -0.014 0.000 0.808 685 L CB 0.529 42.558 42.059 -0.050 0.000 1.149 685 L HN 0.424 nan 8.230 nan 0.000 0.442 686 P HA 0.055 nan 4.420 nan 0.000 0.268 686 P C -1.140 176.176 177.300 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 2.218 122.030 119.800 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 0.412 29.151 28.738 0.003 0.000 1.280 687 Q HN 0.424 nan 8.270 nan 0.000 0.441 688 P HA -0.044 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 0.150 63.266 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 -0.120 120.093 120.200 0.021 0.000 2.201 689 E HA 0.024 4.374 4.350 -0.000 0.000 0.193 689 E C 0.470 177.084 176.600 0.023 0.000 0.957 689 E CA 0.380 56.791 56.400 0.019 0.000 0.858 689 E CB -0.321 29.389 29.700 0.017 0.000 0.816 689 E HN 0.525 nan 8.360 nan 0.000 0.475 690 S N 1.629 117.346 115.700 0.027 0.000 2.550 690 S HA 0.181 4.651 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 0.016 58.236 58.200 0.033 0.000 1.037 690 S CB 0.665 63.886 63.200 0.035 0.000 0.838 690 S HN 0.275 nan 8.310 nan 0.000 0.519 691 A N 1.574 124.419 122.820 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 -0.051 18.977 19.000 0.048 0.000 1.047 691 A HN 1.882 nan 8.150 nan 0.000 0.487 692 G N -0.143 108.697 108.800 0.065 0.000 2.346 692 G HA2 0.304 4.264 3.960 -0.000 0.000 0.294 692 G HA3 0.304 4.264 3.960 -0.000 0.000 0.294 692 G C -1.284 173.664 174.900 0.079 0.000 1.294 692 G CA -0.855 44.302 45.100 0.095 0.000 0.962 692 G HN 0.859 nan 8.290 nan 0.000 0.508 693 Q N -0.632 119.248 119.800 0.134 0.000 2.307 693 Q HA 0.620 4.960 4.340 -0.000 0.000 0.262 693 Q C -0.801 175.291 176.000 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 0.514 nan 8.270 nan 0.000 0.446 694 L N 3.514 124.719 121.223 -0.030 0.000 2.275 694 L HA 0.499 4.839 4.340 -0.000 0.000 0.288 694 L C -1.788 175.046 176.870 -0.061 0.000 1.046 694 L CA 0.057 54.930 54.840 0.055 0.000 0.805 694 L CB 0.499 42.562 42.059 0.007 0.000 1.193 694 L HN 0.569 nan 8.230 nan 0.000 0.426 695 W N 5.446 126.813 121.300 0.111 0.000 2.915 695 W HA 0.565 5.225 4.660 -0.000 0.000 0.337 695 W C -1.118 175.509 176.519 0.179 0.000 1.102 695 W CA -0.679 56.755 57.345 0.148 0.000 1.224 695 W CB 1.727 31.300 29.460 0.188 0.000 1.416 695 W HN 0.292 nan 8.180 nan 0.000 0.503 696 L N 2.989 124.510 121.223 0.496 0.000 2.307 696 L HA 0.791 5.131 4.340 -0.000 0.000 0.284 696 L C -0.370 176.804 176.870 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 0.346 0.000 1.231 696 L HN 0.340 nan 8.230 nan 0.000 0.423 697 T N 4.963 119.758 114.554 0.401 0.000 2.848 697 T HA 0.663 5.013 4.350 -0.000 0.000 0.285 697 T C -0.830 174.046 174.700 0.294 0.000 0.995 697 T CA -0.430 61.852 62.100 0.303 0.000 0.970 697 T CB 1.576 70.560 68.868 0.193 0.000 0.976 697 T HN 0.600 nan 8.240 nan 0.000 0.441 698 V N 1.688 121.728 119.914 0.210 0.000 2.715 698 V HA 0.854 4.974 4.120 -0.000 0.000 0.310 698 V C -0.630 175.521 176.094 0.095 0.000 1.054 698 V CA -1.127 61.266 62.300 0.154 0.000 0.928 698 V CB 1.857 33.695 31.823 0.025 0.000 1.007 698 V HN 0.795 nan 8.190 nan 0.000 0.437 699 R N 2.102 122.684 120.500 0.137 0.000 2.673 699 R HA 0.802 5.142 4.340 -0.000 0.000 0.281 699 R C -1.628 174.750 176.300 0.131 0.000 0.991 699 R CA -0.667 55.522 56.100 0.148 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 3.722 123.745 119.914 0.182 0.000 2.398 700 V HA 0.443 4.563 4.120 -0.000 0.000 0.286 700 V C -0.426 175.712 176.094 0.073 0.000 1.026 700 V CA -0.619 61.762 62.300 0.134 0.000 0.868 700 V CB 1.718 33.648 31.823 0.177 0.000 0.982 700 V HN 0.437 nan 8.190 nan 0.000 0.443 701 V N 4.734 124.641 119.914 -0.013 0.000 2.628 701 V HA 0.444 4.564 4.120 -0.000 0.000 0.306 701 V C -0.328 175.790 176.094 0.040 0.000 1.045 701 V CA -0.815 61.460 62.300 -0.042 0.000 0.905 701 V CB 1.982 33.671 31.823 -0.224 0.000 0.997 701 V HN 0.872 nan 8.190 nan 0.000 0.436 702 Q N 4.528 124.377 119.800 0.082 0.000 2.421 702 Q HA 0.272 4.612 4.340 -0.000 0.000 0.242 702 Q C -1.781 174.245 176.000 0.043 0.000 1.024 702 Q CA -1.785 54.073 55.803 0.091 0.000 0.891 702 Q CB 1.872 30.686 28.738 0.126 0.000 1.222 702 Q HN 0.488 nan 8.270 nan 0.000 0.483 703 P HA -0.198 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 1.351 64.469 63.100 0.029 0.000 0.868 703 P CB 0.318 32.043 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 -0.359 175.107 175.510 -0.074 0.000 1.102 704 N CA -0.708 52.325 53.050 -0.028 0.000 0.924 704 N CB 0.871 39.344 38.487 -0.023 0.000 1.186 704 N HN -0.020 nan 8.380 nan 0.000 0.492 705 A N 0.492 123.259 122.820 -0.088 0.000 2.346 705 A HA 0.544 4.863 4.320 -0.000 0.000 0.252 705 A C 0.547 178.009 177.584 -0.204 0.000 1.089 705 A CA -0.072 51.874 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 -3.509 110.839 114.554 -0.344 0.000 2.742 706 T HA 0.627 4.977 4.350 -0.000 0.000 0.282 706 T C 0.854 175.362 174.700 -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 69.449 68.868 -0.826 0.000 1.317 706 T HN 1.352 nan 8.240 nan 0.000 0.538 707 A N -0.216 122.490 122.820 -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 0.788 52.858 52.037 0.054 0.000 0.692 707 A CB -0.805 18.317 19.000 0.205 0.000 0.799 707 A HN 0.897 nan 8.150 nan 0.000 0.458 708 W N -0.762 120.589 121.300 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 -1.003 28.465 29.460 0.014 0.000 1.106 708 W HN 0.395 nan 8.180 nan 0.000 0.545 709 S N 0.429 115.730 115.700 -0.664 0.000 2.556 709 S HA 0.443 4.913 4.470 -0.000 0.000 0.271 709 S C -0.512 173.857 174.600 -0.385 0.000 1.135 709 S CA -0.704 57.117 58.200 -0.631 0.000 0.858 709 S CB 2.766 65.212 63.200 -1.257 0.000 1.114 709 S HN 0.101 nan 8.310 nan 0.000 0.468 710 E N 0.878 120.961 120.200 -0.195 0.000 2.322 710 E HA 0.571 4.921 4.350 -0.000 0.000 0.257 710 E C 0.254 176.815 176.600 -0.065 0.000 1.155 710 E CA -0.884 55.460 56.400 -0.093 0.000 0.936 710 E CB 0.877 30.570 29.700 -0.012 0.000 1.130 710 E HN 0.874 nan 8.360 nan 0.000 0.465 711 A N -0.203 122.594 122.820 -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 0.536 52.563 52.037 -0.017 0.000 0.781 711 A CB -0.234 18.758 19.000 -0.015 0.000 1.019 711 A HN 0.779 nan 8.150 nan 0.000 0.490 712 G N 0.337 109.152 108.800 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 0.141 175.069 174.900 0.047 0.000 0.989 712 G CA 0.683 45.794 45.100 0.019 0.000 0.682 712 G HN 1.611 nan 8.290 nan 0.000 0.522 713 H N 0.451 119.513 119.070 -0.014 0.000 2.764 713 H HA 0.494 5.050 4.556 -0.000 0.000 0.341 713 H C 0.506 175.877 175.328 0.072 0.000 1.072 713 H CA -0.428 55.638 56.048 0.030 0.000 1.444 713 H CB 0.313 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 4.765 125.065 120.570 -0.449 0.000 2.325 714 I HA 0.012 4.182 4.170 -0.000 0.000 0.291 714 I C 1.061 177.060 176.117 -0.196 0.000 1.019 714 I CA 0.153 61.326 61.300 -0.212 0.000 1.302 714 I CB 0.851 38.765 38.000 -0.143 0.000 1.401 714 I HN 0.839 nan 8.210 nan 0.000 0.485 715 S N 4.051 119.849 115.700 0.163 0.000 2.526 715 S HA 0.624 5.094 4.470 -0.000 0.000 0.220 715 S C 0.499 175.367 174.600 0.446 0.000 1.017 715 S CA 0.060 58.483 58.200 0.372 0.000 0.930 715 S CB 0.721 64.249 63.200 0.546 0.000 0.856 715 S HN 0.720 nan 8.310 nan 0.000 0.497 716 A N 0.552 123.672 122.820 0.499 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 -0.456 121.007 121.300 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 -1.760 174.012 176.000 -0.379 0.000 0.967 718 Q CA -0.591 55.064 55.803 -0.247 0.000 0.887 718 Q CB 2.149 30.568 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 -0.478 0.000 2.416 719 Q HA 0.727 5.066 4.340 -0.000 0.000 0.281 719 Q C -1.460 174.396 176.000 -0.239 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 0.138 0.000 1.418 719 Q HN 0.629 nan 8.270 nan 0.000 0.411 720 W N 2.003 123.495 121.300 0.320 0.000 3.032 720 W HA 0.463 5.123 4.660 -0.000 0.000 0.335 720 W C -0.535 175.987 176.519 0.004 0.000 1.154 720 W CA -0.854 56.597 57.345 0.177 0.000 1.204 720 W CB 2.082 31.583 29.460 0.069 0.000 1.416 720 W HN 0.683 nan 8.180 nan 0.000 0.521 721 R N 2.262 122.645 120.500 -0.195 0.000 2.216 721 R HA 0.284 4.624 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 -0.047 55.551 56.100 -0.836 0.000 0.901 721 R CB 0.556 30.160 30.300 -1.160 0.000 1.039 721 R HN 0.600 nan 8.270 nan 0.000 0.456 722 L N 2.964 124.016 121.223 -0.285 0.000 2.202 722 L HA 0.304 4.644 4.340 -0.000 0.000 0.205 722 L C 0.719 177.493 176.870 -0.159 0.000 1.083 722 L CA 0.591 55.339 54.840 -0.153 0.000 0.790 722 L CB 0.060 42.072 42.059 -0.079 0.000 0.942 722 L HN 0.704 nan 8.230 nan 0.000 0.452 723 A N -0.466 122.239 122.820 -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 1.713 20.665 19.000 -0.079 0.000 1.283 723 A HN 0.008 nan 8.150 nan 0.000 0.430 724 E N 0.539 120.683 120.200 -0.092 0.000 2.291 724 E HA 0.400 4.750 4.350 -0.000 0.000 0.276 724 E C -1.770 174.814 176.600 -0.026 0.000 0.896 724 E CA -0.607 55.755 56.400 -0.064 0.000 0.774 724 E CB 1.228 30.883 29.700 -0.075 0.000 1.227 724 E HN 0.596 nan 8.360 nan 0.000 0.413 725 N N 5.092 123.790 118.700 -0.003 0.000 2.476 725 N HA 0.292 5.032 4.740 -0.000 0.000 0.257 725 N C -0.448 175.073 175.510 0.019 0.000 0.970 725 N CA -0.360 52.694 53.050 0.008 0.000 0.938 725 N CB 1.331 39.827 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 0.185 55.041 54.840 0.026 0.000 0.846 726 L CB 0.588 42.660 42.059 0.022 0.000 1.111 726 L HN 0.382 nan 8.230 nan 0.000 0.475 727 S N 1.723 117.447 115.700 0.041 0.000 2.439 727 S HA 0.255 4.725 4.470 -0.000 0.000 0.282 727 S C 0.343 174.966 174.600 0.037 0.000 1.170 727 S CA -0.900 57.325 58.200 0.041 0.000 1.054 727 S CB 0.607 63.837 63.200 0.050 0.000 0.956 727 S HN 0.421 nan 8.310 nan 0.000 0.490 728 V N 3.075 123.008 119.914 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 -0.291 62.025 62.300 0.028 0.000 1.333 728 V CB -1.040 30.797 31.823 0.023 0.000 1.331 728 V HN 0.821 nan 8.190 nan 0.000 0.527 729 T N -0.426 114.147 114.554 0.032 0.000 2.918 729 T HA 0.804 5.154 4.350 -0.000 0.000 0.286 729 T C -0.620 174.098 174.700 0.031 0.000 1.026 729 T CA -0.735 61.384 62.100 0.030 0.000 1.031 729 T CB 2.082 70.967 68.868 0.029 0.000 1.046 729 T HN 0.271 nan 8.240 nan 0.000 0.479 730 L N 3.064 124.303 121.223 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 0.519 42.591 42.059 0.021 0.000 1.223 730 L HN 0.577 nan 8.230 nan 0.000 0.421 731 P HA 0.332 nan 4.420 nan 0.000 0.271 731 P C -0.502 176.804 177.300 0.010 0.000 1.216 731 P CA -0.406 62.705 63.100 0.017 0.000 0.776 731 P CB 1.093 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 0.564 178.133 177.584 -0.025 0.000 1.090 732 A CA -0.173 51.863 52.037 -0.001 0.000 0.807 732 A CB -0.264 18.741 19.000 0.007 0.000 1.055 732 A HN 0.745 nan 8.150 nan 0.000 0.492 733 A N 0.823 123.634 122.820 -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 0.578 52.596 52.037 -0.032 0.000 0.763 733 A CB -0.522 18.503 19.000 0.042 0.000 1.007 733 A HN 1.671 nan 8.150 nan 0.000 0.506 734 S N 0.376 115.986 115.700 -0.151 0.000 2.638 734 S HA 0.571 5.041 4.470 -0.000 0.000 0.298 734 S C 0.113 174.586 174.600 -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 64.040 63.200 -0.092 0.000 1.064 734 S HN 0.662 nan 8.310 nan 0.000 0.525 735 H N -0.099 118.983 119.070 0.020 0.000 2.586 735 H HA 0.634 5.190 4.556 -0.000 0.000 0.273 735 H C 0.493 175.830 175.328 0.014 0.000 0.997 735 H CA 0.465 56.522 56.048 0.015 0.000 1.177 735 H CB 0.063 29.833 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 -0.910 176.700 177.584 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 20.370 19.000 0.069 0.000 1.277 736 A HN 0.192 nan 8.150 nan 0.000 0.419 737 I N -1.977 118.620 120.570 0.045 0.000 3.002 737 I HA 0.838 5.008 4.170 -0.000 0.000 0.310 737 I C -2.868 173.290 176.117 0.069 0.000 1.087 737 I CA -2.755 58.569 61.300 0.040 0.000 1.017 737 I CB 2.109 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 0.202 63.365 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 1.463 120.565 119.070 0.054 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 -1.048 55.023 56.048 0.040 0.000 1.206 739 H CB 0.944 30.731 29.762 0.042 0.000 1.446 739 H HN 0.205 nan 8.280 nan 0.000 0.496 740 L N 4.243 125.342 121.223 -0.208 0.000 2.421 740 L HA 0.370 4.710 4.340 -0.000 0.000 0.263 740 L C -0.599 176.080 176.870 -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 2.293 116.769 114.554 -0.130 0.000 3.483 741 T HA 0.292 4.642 4.350 -0.000 0.000 0.329 741 T C -0.942 173.814 174.700 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 2.888 117.517 114.554 0.125 0.000 2.799 742 T HA 0.652 5.002 4.350 -0.000 0.000 0.286 742 T C 0.293 175.052 174.700 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 1.782 117.515 115.700 0.056 0.000 2.837 743 S HA 0.431 4.901 4.470 -0.000 0.000 0.314 743 S C 0.915 175.492 174.600 -0.038 0.000 1.098 743 S CA -0.615 57.589 58.200 0.005 0.000 0.903 743 S CB 1.576 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 -0.612 119.559 120.200 -0.047 0.000 2.216 744 E HA 0.101 4.451 4.350 -0.000 0.000 0.192 744 E C 1.532 178.062 176.600 -0.116 0.000 0.973 744 E CA 0.371 56.731 56.400 -0.068 0.000 0.851 744 E CB 0.018 29.694 29.700 -0.039 0.000 0.804 744 E HN 0.529 nan 8.360 nan 0.000 0.477 745 M N 1.008 120.549 119.600 -0.097 0.000 2.476 745 M HA 0.108 4.588 4.480 -0.000 0.000 0.262 745 M C -0.175 176.043 176.300 -0.136 0.000 1.111 745 M CA 0.803 56.048 55.300 -0.093 0.000 1.127 745 M CB -0.521 32.056 32.600 -0.038 0.000 1.376 745 M HN 0.023 nan 8.290 nan 0.000 0.465 746 D N -1.713 118.584 120.400 -0.171 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 41.503 40.800 0.003 0.000 1.331 746 D HN -0.057 nan 8.370 nan 0.000 0.432 750 E N 4.462 124.795 120.200 0.222 0.000 2.317 750 E HA 0.811 5.161 4.350 -0.000 0.000 0.270 750 E C -1.877 174.891 176.600 0.280 0.000 0.885 750 E CA -0.728 55.815 56.400 0.238 0.000 0.760 750 E CB 3.259 33.027 29.700 0.114 0.000 1.227 750 E HN 0.531 nan 8.360 nan 0.000 0.434 751 L N 4.473 125.858 121.223 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 0.741 55.719 54.840 0.231 0.000 0.930 751 L CB 0.796 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 3.526 112.374 108.800 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 0.555 175.452 174.900 -0.004 0.000 1.152 752 G CA 0.404 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 0.269 4.589 4.320 -0.000 0.000 0.279 754 K C -0.112 176.265 176.600 -0.371 0.000 1.027 754 K CA 0.001 56.066 56.287 -0.371 0.000 0.969 754 K CB 1.035 33.236 32.500 -0.498 0.000 0.954 754 K HN 0.066 nan 8.250 nan 0.000 0.474 755 R N 1.860 122.065 120.500 -0.491 0.000 2.698 755 R HA 0.401 4.741 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 0.591 nan 8.270 nan 0.000 0.462 756 W N 2.837 124.248 121.300 0.184 0.000 2.883 756 W HA 0.329 4.989 4.660 -0.000 0.000 0.335 756 W C -0.754 175.853 176.519 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 2.594 122.539 119.800 0.242 0.000 2.340 757 Q HA 0.488 4.828 4.340 -0.000 0.000 0.268 757 Q C -1.996 173.947 176.000 -0.094 0.000 1.031 757 Q CA -0.516 55.414 55.803 0.212 0.000 0.804 757 Q CB 1.847 30.779 28.738 0.323 0.000 1.286 757 Q HN 0.368 nan 8.270 nan 0.000 0.448 758 F N 2.761 122.800 119.950 0.148 0.000 2.426 758 F HA 0.318 4.845 4.527 -0.000 0.000 0.348 758 F C 0.609 176.424 175.800 0.025 0.000 1.124 758 F CA -0.789 57.264 58.000 0.089 0.000 1.008 758 F CB 1.375 40.454 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 0.027 53.110 53.050 0.056 0.000 0.948 759 N CB 0.790 39.321 38.487 0.073 0.000 1.069 759 N HN 0.708 nan 8.380 nan 0.000 0.460 760 R N 2.002 122.416 120.500 -0.144 0.000 2.276 760 R HA -0.030 4.310 4.340 -0.000 0.000 0.203 760 R C 1.222 177.442 176.300 -0.133 0.000 1.017 760 R CA 0.981 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 -0.826 118.932 119.800 -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 1.149 56.925 55.803 -0.046 0.000 0.911 761 Q CB 0.481 29.206 28.738 -0.022 0.000 1.040 761 Q HN 0.214 nan 8.270 nan 0.000 0.521 762 S N -0.298 115.407 115.700 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 0.326 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 -1.321 118.814 119.950 0.309 0.000 2.538 764 F HA 0.643 5.170 4.527 -0.000 0.000 0.325 764 F C 0.499 176.327 175.800 0.048 0.000 1.066 764 F CA -1.465 56.679 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 1.802 123.084 121.223 0.099 0.000 2.530 765 L HA 0.183 4.523 4.340 -0.000 0.000 0.273 765 L C 0.601 177.368 176.870 -0.172 0.000 1.141 765 L CA 0.829 55.358 54.840 -0.518 0.000 0.905 765 L CB 0.412 42.168 42.059 -0.505 0.000 1.202 765 L HN 0.642 nan 8.230 nan 0.000 0.473 766 S N 2.473 118.068 115.700 -0.174 0.000 2.470 766 S HA 0.141 4.611 4.470 -0.000 0.000 0.222 766 S C 0.275 174.772 174.600 -0.172 0.000 1.024 766 S CA 0.323 58.472 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 -0.126 119.519 119.800 -0.258 0.000 2.702 767 Q HA 0.602 4.942 4.340 -0.000 0.000 0.289 767 Q C -1.625 174.058 176.000 -0.528 0.000 0.923 767 Q CA -0.558 54.971 55.803 -0.456 0.000 0.787 767 Q CB 1.252 29.613 28.738 -0.627 0.000 1.476 767 Q HN 0.239 nan 8.270 nan 0.000 0.402 768 M N 0.868 120.013 119.600 -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 -0.687 0.000 1.186 768 M CA -0.274 54.670 55.300 -0.593 0.000 0.927 768 M CB 1.835 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 3.948 125.025 121.300 -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 31.331 29.460 -0.224 0.000 1.420 769 W HN 0.577 nan 8.180 nan 0.000 0.519 770 I N 2.770 123.344 120.570 0.007 0.000 2.448 770 I HA 0.401 4.571 4.170 -0.000 0.000 0.281 770 I C 0.728 176.839 176.117 -0.011 0.000 1.027 770 I CA 0.136 61.391 61.300 -0.074 0.000 1.111 770 I CB 1.080 39.007 38.000 -0.121 0.000 1.236 770 I HN 0.728 nan 8.210 nan 0.000 0.452 771 G N 5.840 114.628 108.800 -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 45.548 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 0.062 0.000 2.431 772 D HA 0.234 4.873 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 -0.048 0.000 1.054 773 K CA -0.444 55.878 56.287 0.057 0.000 0.903 773 K CB 1.622 34.117 32.500 -0.008 0.000 1.077 773 K HN -0.118 nan 8.250 nan 0.000 0.474 774 K N 2.200 122.489 120.400 -0.185 0.000 2.326 774 K HA 0.029 4.349 4.320 -0.000 0.000 0.275 774 K C 0.753 177.162 176.600 -0.318 0.000 1.018 774 K CA -0.193 55.791 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 1.366 120.949 119.800 -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 0.434 56.142 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 0.547 121.628 121.223 -0.238 0.000 2.354 776 L HA 0.413 4.753 4.340 -0.000 0.000 0.269 776 L C 0.822 177.566 176.870 -0.209 0.000 1.005 776 L CA -0.468 54.259 54.840 -0.188 0.000 0.819 776 L CB 1.711 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 -0.255 120.839 121.223 -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 0.574 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 -0.000 114.428 114.554 -0.210 0.000 2.916 778 T HA 0.416 4.765 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 -1.055 60.958 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 3.333 124.549 121.223 -0.011 0.000 2.313 780 L HA 0.306 4.646 4.340 -0.000 0.000 0.282 780 L C 0.439 177.217 176.870 -0.152 0.000 1.092 780 L CA 0.497 55.346 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 2.186 122.540 120.500 -0.245 0.000 2.764 781 R HA 0.520 4.860 4.340 -0.000 0.000 0.270 781 R C -1.193 174.957 176.300 -0.251 0.000 1.014 781 R CA -1.049 54.788 56.100 -0.439 0.000 0.904 781 R CB 0.527 30.268 30.300 -0.932 0.000 1.236 781 R HN 0.414 nan 8.270 nan 0.000 0.466 782 D N 1.054 121.341 120.400 -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 0.464 54.216 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 1.239 120.458 119.800 -0.968 0.000 2.305 783 Q HA 0.369 4.709 4.340 -0.000 0.000 0.271 783 Q C -1.193 174.062 176.000 -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 0.634 120.222 119.950 -0.603 0.000 2.729 784 F HA 0.201 4.728 4.527 -0.000 0.000 0.315 784 F C 0.574 175.971 175.800 -0.673 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 -0.886 113.391 114.554 -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 -0.584 0.000 1.012 785 T CB 2.726 71.197 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 5.097 4.340 -0.000 0.000 0.274 786 R C -0.906 175.450 176.300 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 3.835 126.694 122.820 0.065 0.000 2.476 787 A HA 0.292 4.612 4.320 -0.000 0.000 0.275 787 A C -1.982 175.665 177.584 0.105 0.000 1.133 787 A CA -1.370 50.708 52.037 0.067 0.000 0.797 787 A CB -0.485 18.499 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 0.556 63.805 63.100 0.248 0.000 0.761 788 P CB 0.316 32.195 31.700 0.298 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 -0.629 54.220 54.840 0.014 0.000 0.804 789 L CB 0.030 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 0.329 120.683 120.400 -0.076 0.000 2.123 790 D HA -0.163 4.477 4.640 -0.000 0.000 0.196 790 D C 1.595 177.824 176.300 -0.118 0.000 0.992 790 D CA 1.448 55.335 54.000 -0.188 0.000 0.833 790 D CB 0.033 40.639 40.800 -0.323 0.000 0.954 790 D HN 0.473 nan 8.370 nan 0.000 0.455 791 N N 1.006 119.652 118.700 -0.089 0.000 2.309 791 N HA -0.106 4.633 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 0.139 120.565 120.400 0.044 0.000 2.277 792 D HA 0.062 4.702 4.640 -0.000 0.000 0.208 792 D C 1.876 178.229 176.300 0.089 0.000 0.962 792 D CA 0.349 54.411 54.000 0.102 0.000 0.865 792 D CB 0.275 41.192 40.800 0.195 0.000 0.939 792 D HN 0.339 nan 8.370 nan 0.000 0.510 793 I N -0.225 120.382 120.570 0.062 0.000 2.628 793 I HA 0.097 4.267 4.170 -0.000 0.000 0.255 793 I C 1.851 178.001 176.117 0.055 0.000 1.119 793 I CA 0.540 61.868 61.300 0.048 0.000 1.448 793 I CB -0.140 37.868 38.000 0.012 0.000 1.133 793 I HN 0.049 nan 8.210 nan 0.000 0.438 794 G N 1.628 110.475 108.800 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 0.683 175.757 174.900 0.289 0.000 1.189 794 G CA 0.942 46.153 45.100 0.184 0.000 0.986 794 G HN 0.573 nan 8.290 nan 0.000 0.548 795 V N -2.178 117.847 119.914 0.185 0.000 3.271 795 V HA 0.688 4.808 4.120 -0.000 0.000 0.327 795 V C 0.978 177.094 176.094 0.037 0.000 1.389 795 V CA 1.037 63.397 62.300 0.099 0.000 1.156 795 V CB 0.340 32.121 31.823 -0.069 0.000 1.103 795 V HN 1.283 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 0.333 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 0.064 58.273 58.200 0.016 0.000 1.071 796 S CB 0.360 63.566 63.200 0.011 0.000 0.894 796 S HN 0.799 nan 8.310 nan 0.000 0.491 797 E N 2.450 122.657 120.200 0.012 0.000 2.235 797 E HA 0.661 5.011 4.350 -0.000 0.000 0.265 797 E C 0.735 177.348 176.600 0.020 0.000 0.940 797 E CA -0.293 56.120 56.400 0.021 0.000 0.819 797 E CB 1.334 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 0.980 123.818 122.820 0.030 0.000 1.972 798 A HA -0.185 4.135 4.320 -0.000 0.000 0.219 798 A C 2.055 179.651 177.584 0.020 0.000 1.169 798 A CA 2.329 54.383 52.037 0.029 0.000 0.635 798 A CB -0.923 18.100 19.000 0.038 0.000 0.810 798 A HN 0.700 nan 8.150 nan 0.000 0.446 799 T N -2.569 111.995 114.554 0.017 0.000 2.851 799 T HA -0.007 4.343 4.350 -0.000 0.000 0.262 799 T C 1.147 175.846 174.700 -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 -0.756 175.534 176.300 -0.018 0.000 1.321 800 R CA -0.513 55.576 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 2.235 122.797 120.570 -0.013 0.000 2.648 801 I HA -0.067 4.103 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 0.547 61.839 61.300 -0.013 0.000 1.426 801 I CB 0.728 38.724 38.000 -0.008 0.000 1.381 801 I HN 0.431 nan 8.210 nan 0.000 0.571 802 D N 9.406 129.788 120.400 -0.029 0.000 2.472 802 D HA 0.262 4.902 4.640 -0.000 0.000 0.234 802 D C -1.678 174.583 176.300 -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 -0.078 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 0.695 63.737 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 -0.456 118.146 118.700 -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 0.354 123.040 122.820 -0.223 0.000 2.498 805 A HA 0.028 4.348 4.320 -0.000 0.000 0.239 805 A C 0.776 178.165 177.584 -0.326 0.000 1.068 805 A CA -0.325 51.591 52.037 -0.202 0.000 0.766 805 A CB 0.003 18.956 19.000 -0.077 0.000 1.003 805 A HN 0.319 nan 8.150 nan 0.000 0.497 806 W N 1.868 122.920 121.300 -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 58.776 57.345 -0.854 0.000 1.264 806 W CB -0.424 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 0.772 120.556 119.914 -0.216 0.000 2.392 807 V HA -0.285 3.835 4.120 -0.000 0.000 0.249 807 V C 2.210 178.380 176.094 0.126 0.000 1.059 807 V CA 2.175 64.566 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 0.031 120.218 120.200 -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 1.146 57.534 56.400 -0.019 0.000 0.806 808 E CB -0.347 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 -0.389 120.004 120.500 -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 0.842 56.821 56.100 -0.202 0.000 0.973 809 R CB -0.214 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 1.866 123.139 121.300 -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 0.366 57.582 57.345 -0.216 0.000 1.285 810 W CB -0.601 28.843 29.460 -0.028 0.000 1.133 810 W HN 0.083 nan 8.180 nan 0.000 0.521 811 K N 0.153 120.800 120.400 0.412 0.000 2.009 811 K HA -0.139 4.181 4.320 -0.000 0.000 0.210 811 K C 2.190 178.881 176.600 0.151 0.000 1.049 811 K CA 1.902 58.389 56.287 0.334 0.000 0.929 811 K CB -0.585 32.045 32.500 0.217 0.000 0.714 811 K HN -0.020 nan 8.250 nan 0.000 0.440 812 A N 0.957 123.833 122.820 0.093 0.000 2.070 812 A HA -0.077 4.243 4.320 -0.000 0.000 0.220 812 A C 2.113 179.725 177.584 0.046 0.000 1.159 812 A CA 1.740 53.812 52.037 0.058 0.000 0.656 812 A CB -0.409 18.607 19.000 0.027 0.000 0.800 812 A HN 0.369 nan 8.150 nan 0.000 0.453 813 A N -1.934 120.892 122.820 0.011 0.000 2.218 813 A HA 0.417 4.737 4.320 -0.000 0.000 0.209 813 A C 1.753 179.318 177.584 -0.032 0.000 1.168 813 A CA 1.171 53.227 52.037 0.031 0.000 0.804 813 A CB -0.735 18.258 19.000 -0.012 0.000 0.834 813 A HN 1.840 nan 8.150 nan 0.000 0.482 814 G N -1.410 107.285 108.800 -0.176 0.000 2.132 814 G HA2 -0.287 3.672 3.960 -0.000 0.000 0.234 814 G HA3 -0.287 3.672 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 45.395 45.100 -0.538 0.000 0.676 814 G HN 0.737 nan 8.290 nan 0.000 0.522 815 H N -1.509 117.533 119.070 -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 -0.064 0.000 1.090 815 H CA 1.573 57.593 56.048 -0.048 0.000 1.332 815 H CB 0.104 29.762 29.762 -0.174 0.000 1.386 815 H HN 0.621 nan 8.280 nan 0.000 0.516 816 Y N 0.791 121.202 120.300 0.185 0.000 2.516 816 Y HA -0.098 4.452 4.550 -0.000 0.000 0.291 816 Y C 1.936 177.905 175.900 0.115 0.000 1.131 816 Y CA 0.654 58.827 58.100 0.121 0.000 1.281 816 Y CB 0.388 38.907 38.460 0.099 0.000 1.013 816 Y HN 0.350 nan 8.280 nan 0.000 0.554 817 Q N -0.488 119.449 119.800 0.228 0.000 2.110 817 Q HA 0.467 4.807 4.340 -0.000 0.000 0.232 817 Q C -0.048 176.107 176.000 0.258 0.000 0.810 817 Q CA -0.343 55.590 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 -0.120 177.725 177.584 0.435 0.000 1.082 818 A CA -0.181 52.079 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 0.778 121.179 120.200 0.336 0.000 2.134 819 E HA 0.470 4.820 4.350 -0.000 0.000 0.278 819 E C -0.137 176.439 176.600 -0.040 0.000 0.959 819 E CA -0.209 56.302 56.400 0.185 0.000 0.783 819 E CB 1.696 31.475 29.700 0.131 0.000 1.095 819 E HN 0.717 nan 8.360 nan 0.000 0.399 820 A N 2.462 125.144 122.820 -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 51.499 52.037 -0.685 0.000 0.789 820 A CB 0.478 19.097 19.000 -0.634 0.000 1.035 820 A HN 0.545 nan 8.150 nan 0.000 0.491 821 A N 2.318 124.979 122.820 -0.266 0.000 2.343 821 A HA 0.579 4.899 4.320 -0.000 0.000 0.308 821 A C -0.642 176.870 177.584 -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 1.328 nan 8.150 nan 0.000 0.452 822 L N 3.188 124.329 121.223 -0.137 0.000 2.410 822 L HA 0.330 4.670 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 0.321 54.980 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 3.634 124.716 121.223 -0.235 0.000 2.470 823 L HA 0.289 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 54.859 54.840 -0.122 0.000 0.850 823 L CB 0.073 42.092 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 0.260 4.600 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 2.407 31.116 28.738 -0.048 0.000 1.462 824 Q HN 0.024 nan 8.270 nan 0.000 0.403 825 C N 3.541 122.824 119.300 -0.027 0.000 2.919 825 C HA 0.727 5.187 4.460 -0.000 0.000 0.337 825 C C -0.671 174.407 174.990 0.147 0.000 1.039 825 C CA 0.604 59.651 59.018 0.048 0.000 1.373 825 C CB 0.358 28.126 27.740 0.046 0.000 1.843 825 C HN 0.807 nan 8.230 nan 0.000 0.493 826 T N 2.538 117.122 114.554 0.050 0.000 2.912 826 T HA 0.885 5.235 4.350 -0.000 0.000 0.288 826 T C -0.351 174.181 174.700 -0.279 0.000 1.030 826 T CA -0.142 61.932 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 1.702 nan 8.240 nan 0.000 0.480 827 A N 2.194 124.728 122.820 -0.475 0.000 2.393 827 A HA 0.758 5.078 4.320 -0.000 0.000 0.306 827 A C -1.186 176.174 177.584 -0.372 0.000 1.050 827 A CA -0.740 50.917 52.037 -0.635 0.000 0.724 827 A CB 1.414 19.643 19.000 -1.285 0.000 1.248 827 A HN 0.889 nan 8.150 nan 0.000 0.424 828 D N 0.694 120.927 120.400 -0.277 0.000 2.661 828 D HA 0.524 5.164 4.640 -0.000 0.000 0.228 828 D C -1.148 175.067 176.300 -0.140 0.000 1.183 828 D CA -0.009 53.889 54.000 -0.172 0.000 0.844 828 D CB 2.473 43.202 40.800 -0.119 0.000 1.555 828 D HN 0.436 nan 8.370 nan 0.000 0.453 829 T N 1.433 115.930 114.554 -0.096 0.000 2.772 829 T HA 0.467 4.817 4.350 -0.000 0.000 0.288 829 T C 0.171 174.843 174.700 -0.046 0.000 0.994 829 T CA -0.579 61.482 62.100 -0.065 0.000 0.951 829 T CB 0.995 69.839 68.868 -0.040 0.000 0.933 829 T HN 0.047 nan 8.240 nan 0.000 0.447 830 L N 1.674 122.871 121.223 -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 -0.411 54.410 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 0.998 178.580 177.584 -0.003 0.000 1.162 831 A CA 1.480 53.514 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 -1.745 118.650 120.400 -0.008 0.000 2.441 832 D HA 0.541 5.181 4.640 -0.000 0.000 0.210 832 D C 0.403 176.693 176.300 -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 41.387 40.800 -0.005 0.000 0.990 832 D HN 0.465 nan 8.370 nan 0.000 0.505 833 A N -0.358 122.447 122.820 -0.026 0.000 2.467 833 A HA 0.598 4.918 4.320 -0.000 0.000 0.301 833 A C -1.761 175.787 177.584 -0.060 0.000 1.126 833 A CA -0.767 51.244 52.037 -0.044 0.000 0.632 833 A CB 0.676 19.645 19.000 -0.050 0.000 1.331 833 A HN -0.048 nan 8.150 nan 0.000 0.482 834 V N 0.330 120.189 119.914 -0.092 0.000 2.547 834 V HA 0.680 4.800 4.120 -0.000 0.000 0.299 834 V C -0.838 175.172 176.094 -0.140 0.000 1.040 834 V CA -0.429 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 5.936 127.068 121.223 -0.152 0.000 2.376 835 L HA 0.661 5.001 4.340 -0.000 0.000 0.275 835 L C -0.912 175.835 176.870 -0.204 0.000 0.987 835 L CA -0.008 54.749 54.840 -0.139 0.000 0.828 835 L CB 1.396 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 3.619 124.071 120.570 -0.195 0.000 2.474 836 I HA 0.513 4.683 4.170 -0.000 0.000 0.294 836 I C -0.164 175.935 176.117 -0.031 0.000 1.005 836 I CA -0.373 60.770 61.300 -0.261 0.000 1.113 836 I CB 1.841 39.485 38.000 -0.594 0.000 1.289 836 I HN 0.527 nan 8.210 nan 0.000 0.436 837 T N 4.180 118.710 114.554 -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 61.637 62.100 0.041 0.000 0.978 837 T CB 1.875 70.739 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 0.900 5.249 4.350 -0.000 0.000 0.295 838 T C -1.157 173.592 174.700 0.082 0.000 1.075 838 T CA -1.058 61.096 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 1.480 124.267 122.820 -0.056 0.000 2.459 839 A HA 0.757 5.077 4.320 -0.000 0.000 0.296 839 A C -1.454 176.041 177.584 -0.148 0.000 1.039 839 A CA -0.779 51.272 52.037 0.025 0.000 0.698 839 A CB 0.840 19.858 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 -0.219 0.000 1.765 840 H HN 1.004 nan 8.280 nan 0.000 0.549 841 A N 1.569 124.417 122.820 0.047 0.000 2.371 841 A HA 0.448 4.768 4.320 -0.000 0.000 0.311 841 A C -1.405 176.215 177.584 0.060 0.000 1.068 841 A CA -0.719 51.420 52.037 0.169 0.000 0.744 841 A CB 1.222 20.284 19.000 0.103 0.000 1.239 841 A HN 0.589 nan 8.150 nan 0.000 0.435 842 W N 2.046 123.455 121.300 0.181 0.000 2.349 842 W HA 0.431 5.090 4.660 -0.000 0.000 0.309 842 W C -0.350 176.187 176.519 0.029 0.000 1.083 842 W CA -0.171 57.272 57.345 0.163 0.000 1.224 842 W CB 1.654 31.274 29.460 0.266 0.000 1.256 842 W HN 0.776 nan 8.180 nan 0.000 0.461 843 Q N 1.660 121.596 119.800 0.226 0.000 2.458 843 Q HA 0.463 4.803 4.340 -0.000 0.000 0.282 843 Q C -0.945 175.191 176.000 0.227 0.000 1.106 843 Q CA -0.944 54.951 55.803 0.154 0.000 0.814 843 Q CB 3.548 32.338 28.738 0.086 0.000 1.425 843 Q HN 0.410 nan 8.270 nan 0.000 0.437 844 H N 1.069 120.171 119.070 0.053 0.000 3.224 844 H HA 0.071 4.627 4.556 -0.000 0.000 0.331 844 H C -1.010 174.347 175.328 0.049 0.000 1.002 844 H CA -0.062 56.026 56.048 0.068 0.000 1.473 844 H CB 1.028 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 3.269 122.821 119.800 -0.414 0.000 2.453 845 Q HA -0.259 4.081 4.340 -0.000 0.000 0.294 845 Q C 0.971 176.902 176.000 -0.116 0.000 1.295 845 Q CA 1.253 56.870 55.803 -0.311 0.000 0.853 845 Q CB -1.314 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 -0.394 108.373 108.800 -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 0.367 45.456 45.100 -0.019 0.000 0.618 846 G HN 0.351 nan 8.290 nan 0.000 0.516 847 K N 1.457 121.865 120.400 0.014 0.000 2.156 847 K HA 0.601 4.921 4.320 -0.000 0.000 0.271 847 K C -0.286 176.325 176.600 0.019 0.000 0.995 847 K CA -0.056 56.243 56.287 0.022 0.000 0.890 847 K CB 0.794 33.313 32.500 0.032 0.000 1.073 847 K HN 0.016 nan 8.250 nan 0.000 0.454 848 T N 5.829 120.385 114.554 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 -0.413 61.684 62.100 -0.004 0.000 0.997 848 T CB 0.364 69.249 68.868 0.027 0.000 0.917 848 T HN 0.536 nan 8.240 nan 0.000 0.487 849 L N 2.345 123.405 121.223 -0.273 0.000 2.102 849 L HA 0.314 4.654 4.340 -0.000 0.000 0.202 849 L C -0.013 176.350 176.870 -0.845 0.000 1.076 849 L CA 0.968 55.369 54.840 -0.731 0.000 0.761 849 L CB -0.030 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 -1.388 118.524 119.950 -0.064 0.000 2.626 850 F HA 0.595 5.122 4.527 -0.000 0.000 0.311 850 F C -0.508 175.399 175.800 0.180 0.000 1.088 850 F CA -0.884 57.045 58.000 -0.118 0.000 0.949 850 F CB 1.928 40.531 39.000 -0.661 0.000 1.322 850 F HN -0.343 nan 8.300 nan 0.000 0.461 851 I N 1.363 122.178 120.570 0.407 0.000 2.533 851 I HA 0.397 4.567 4.170 -0.000 0.000 0.290 851 I C -0.963 175.425 176.117 0.451 0.000 1.056 851 I CA -0.579 60.980 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 6.714 122.773 115.700 0.599 0.000 2.552 852 S HA 0.579 5.049 4.470 -0.000 0.000 0.314 852 S C -0.779 174.073 174.600 0.420 0.000 1.099 852 S CA -0.677 57.843 58.200 0.533 0.000 1.070 852 S CB 0.778 64.415 63.200 0.729 0.000 0.998 852 S HN 0.572 nan 8.310 nan 0.000 0.474 853 R N 3.564 124.230 120.500 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 -0.661 175.908 176.600 -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 34.806 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 -1.457 173.130 174.700 -0.189 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 0.395 176.241 175.900 -0.090 0.000 0.961 856 Y CA -1.113 56.978 58.100 -0.014 0.000 1.100 856 Y CB 2.093 40.572 38.460 0.032 0.000 1.179 856 Y HN 0.817 nan 8.280 nan 0.000 0.454 857 R N 4.077 124.616 120.500 0.066 0.000 2.451 857 R HA 0.677 5.017 4.340 -0.000 0.000 0.307 857 R C -1.995 174.260 176.300 -0.076 0.000 0.965 857 R CA -0.406 55.680 56.100 -0.023 0.000 0.865 857 R CB 0.691 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 -0.257 175.757 176.117 -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 39.039 38.000 -0.559 0.000 1.345 858 I HN 0.705 nan 8.210 nan 0.000 0.461 859 D N 4.439 124.771 120.400 -0.113 0.000 2.549 859 D HA 0.230 4.870 4.640 -0.000 0.000 0.270 859 D C 1.261 177.543 176.300 -0.031 0.000 1.181 859 D CA -0.790 53.176 54.000 -0.057 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 -1.374 107.418 108.800 -0.014 0.000 2.625 860 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.214 860 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.214 860 G C 1.091 175.992 174.900 0.002 0.000 1.132 860 G CA 0.943 46.043 45.100 0.000 0.000 0.782 860 G HN 0.533 nan 8.290 nan 0.000 0.538 861 S N -1.213 114.489 115.700 0.003 0.000 2.575 861 S HA 0.384 4.854 4.470 -0.000 0.000 0.215 861 S C 1.747 176.385 174.600 0.063 0.000 0.966 861 S CA 0.882 59.090 58.200 0.014 0.000 0.911 861 S CB 0.137 63.340 63.200 0.005 0.000 0.780 861 S HN 1.381 nan 8.310 nan 0.000 0.514 862 G N 0.650 109.507 108.800 0.095 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 45.277 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 0.147 176.157 176.000 0.017 0.000 0.917 863 Q CA -0.401 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 6.830 129.709 122.820 0.099 0.000 2.288 865 A HA 0.765 5.084 4.320 -0.000 0.000 0.320 865 A C -0.932 176.695 177.584 0.071 0.000 1.217 865 A CA -0.670 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 1.540 122.138 120.570 0.048 0.000 2.474 866 I HA 0.433 4.603 4.170 -0.000 0.000 0.294 866 I C -0.132 175.889 176.117 -0.160 0.000 1.005 866 I CA -0.303 60.937 61.300 -0.100 0.000 1.113 866 I CB 2.457 40.423 38.000 -0.057 0.000 1.289 866 I HN 0.507 nan 8.210 nan 0.000 0.436 867 T N 5.227 119.634 114.554 -0.244 0.000 2.841 867 T HA 0.543 4.893 4.350 -0.000 0.000 0.285 867 T C -0.636 173.862 174.700 -0.338 0.000 0.991 867 T CA -0.400 61.549 62.100 -0.251 0.000 0.966 867 T CB 1.732 70.546 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 -0.692 175.230 176.094 -0.288 0.000 1.035 868 V CA -0.907 61.103 62.300 -0.482 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 0.268 nan 8.370 nan 0.000 0.543 870 V N 2.193 122.271 119.914 0.273 0.000 2.628 870 V HA 0.351 4.471 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 0.339 0.000 0.997 870 V HN 0.374 nan 8.190 nan 0.000 0.436 871 E N 2.176 122.511 120.200 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 32.449 29.700 0.151 0.000 1.169 871 E HN 0.412 nan 8.360 nan 0.000 0.413 872 V N 2.075 122.113 119.914 0.207 0.000 2.409 872 V HA 0.380 4.500 4.120 -0.000 0.000 0.291 872 V C 0.085 176.275 176.094 0.161 0.000 1.020 872 V CA -0.932 61.513 62.300 0.242 0.000 0.848 872 V CB 1.447 33.446 31.823 0.292 0.000 0.990 872 V HN 0.838 nan 8.190 nan 0.000 0.430 873 A N 3.522 126.398 122.820 0.092 0.000 2.548 873 A HA 0.249 4.569 4.320 -0.000 0.000 0.247 873 A C 1.647 179.300 177.584 0.114 0.000 1.067 873 A CA 0.653 52.730 52.037 0.066 0.000 0.757 873 A CB 0.221 19.225 19.000 0.007 0.000 0.996 873 A HN 1.377 nan 8.150 nan 0.000 0.504 874 S N 1.395 117.159 115.700 0.107 0.000 2.442 874 S HA -0.152 4.318 4.470 -0.000 0.000 0.236 874 S C 0.846 175.525 174.600 0.130 0.000 1.007 874 S CA 1.349 59.630 58.200 0.135 0.000 0.965 874 S CB -0.264 62.995 63.200 0.097 0.000 0.773 874 S HN 0.815 nan 8.310 nan 0.000 0.504 875 D N 0.167 120.620 120.400 0.089 0.000 2.368 875 D HA 0.151 4.791 4.640 -0.000 0.000 0.218 875 D C 0.366 176.705 176.300 0.065 0.000 1.112 875 D CA -0.073 53.965 54.000 0.064 0.000 0.834 875 D CB -0.261 40.563 40.800 0.040 0.000 0.953 875 D HN 0.282 nan 8.370 nan 0.000 0.505 876 T N 1.271 115.891 114.554 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 -1.992 60.202 62.100 0.157 0.000 1.051 876 T CB 1.321 70.292 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 -0.478 177.111 177.300 0.481 0.000 1.193 877 P CA -0.131 63.061 63.100 0.152 0.000 0.765 877 P CB 0.142 31.922 31.700 0.134 0.000 0.823 878 H N 3.214 122.644 119.070 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 -1.521 54.830 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 0.094 nan 4.420 nan 0.000 0.274 879 P C 0.335 177.552 177.300 -0.137 0.000 1.231 879 P CA -0.330 62.837 63.100 0.112 0.000 0.790 879 P CB 0.833 32.467 31.700 -0.111 0.000 0.951 880 A N 3.273 125.769 122.820 -0.541 0.000 1.969 880 A HA -0.088 4.232 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 1.415 53.096 52.037 -0.593 0.000 0.635 880 A CB -0.541 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 -2.874 117.299 120.500 -0.544 0.000 2.728 881 R HA 0.717 5.057 4.340 -0.000 0.000 0.274 881 R C -1.832 174.232 176.300 -0.394 0.000 1.030 881 R CA -0.804 54.991 56.100 -0.508 0.000 0.876 881 R CB 0.668 30.608 30.300 -0.600 0.000 1.259 881 R HN 0.005 nan 8.270 nan 0.000 0.468 882 I N 1.272 121.639 120.570 -0.340 0.000 2.517 882 I HA 0.631 4.801 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 -0.374 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 5.819 114.327 108.800 -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 -1.722 172.979 174.900 -0.332 0.000 1.270 883 G CA -0.574 44.279 45.100 -0.410 0.000 0.810 883 G HN 0.272 nan 8.290 nan 0.000 0.493 884 L N 0.758 121.839 121.223 -0.236 0.000 2.333 884 L HA 0.661 5.000 4.340 -0.000 0.000 0.263 884 L C -0.752 176.000 176.870 -0.196 0.000 1.014 884 L CA -1.141 53.587 54.840 -0.188 0.000 0.820 884 L CB 2.536 44.553 42.059 -0.070 0.000 1.352 884 L HN 0.809 nan 8.230 nan 0.000 0.421 885 N N 0.536 119.148 118.700 -0.147 0.000 2.610 885 N HA 0.736 5.476 4.740 -0.000 0.000 0.264 885 N C -1.236 174.268 175.510 -0.009 0.000 1.348 885 N CA -0.599 52.406 53.050 -0.076 0.000 0.819 885 N CB 2.254 40.726 38.487 -0.026 0.000 1.521 885 N HN 0.863 nan 8.380 nan 0.000 0.497 886 C N -1.613 117.707 119.300 0.035 0.000 3.292 886 C HA 0.573 5.033 4.460 -0.000 0.000 0.338 886 C C -1.231 173.607 174.990 -0.254 0.000 1.323 886 C CA -0.879 58.112 59.018 -0.045 0.000 1.232 886 C CB 0.935 28.654 27.740 -0.034 0.000 1.517 886 C HN 0.867 nan 8.230 nan 0.000 0.470 887 Q N 1.450 120.890 119.800 -0.601 0.000 2.368 887 Q HA 0.655 4.995 4.340 -0.000 0.000 0.256 887 Q C -0.984 174.724 176.000 -0.486 0.000 0.980 887 Q CA -0.419 54.780 55.803 -1.006 0.000 0.887 887 Q CB 0.815 28.609 28.738 -1.574 0.000 1.221 887 Q HN 0.762 nan 8.270 nan 0.000 0.458 888 L N 2.571 123.604 121.223 -0.316 0.000 2.395 888 L HA 0.290 4.630 4.340 -0.000 0.000 0.269 888 L C 1.226 178.020 176.870 -0.128 0.000 1.133 888 L CA -0.250 54.520 54.840 -0.116 0.000 0.812 888 L CB 0.854 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 1.975 124.746 122.820 -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 -0.496 119.308 119.800 0.006 0.000 2.417 890 Q HA 0.434 4.773 4.340 -0.000 0.000 0.241 890 Q C -1.127 174.897 176.000 0.040 0.000 1.008 890 Q CA 0.371 56.177 55.803 0.006 0.000 0.901 890 Q CB 0.841 29.604 28.738 0.042 0.000 1.259 890 Q HN 0.167 nan 8.270 nan 0.000 0.489 891 V N 2.557 122.458 119.914 -0.021 0.000 2.567 891 V HA 0.771 4.891 4.120 -0.000 0.000 0.298 891 V C -0.846 175.198 176.094 -0.084 0.000 1.047 891 V CA -0.171 62.144 62.300 0.024 0.000 0.880 891 V CB 1.162 32.998 31.823 0.021 0.000 1.009 891 V HN 0.928 nan 8.190 nan 0.000 0.429 892 A N 3.202 125.931 122.820 -0.151 0.000 2.347 892 A HA 0.911 5.231 4.320 -0.000 0.000 0.301 892 A C 0.535 178.141 177.584 0.035 0.000 1.163 892 A CA -0.311 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 -0.154 120.060 120.200 0.023 0.000 2.102 893 E HA 0.093 4.443 4.350 -0.000 0.000 0.190 893 E C 0.393 177.074 176.600 0.135 0.000 0.971 893 E CA 1.071 57.516 56.400 0.075 0.000 0.821 893 E CB 0.170 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 -0.574 120.021 120.500 0.158 0.000 2.854 894 R HA 0.591 4.931 4.340 -0.000 0.000 0.271 894 R C -1.099 175.395 176.300 0.324 0.000 0.996 894 R CA -0.928 55.294 56.100 0.204 0.000 0.961 894 R CB 2.331 32.716 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 1.817 33.821 31.823 0.303 0.000 0.995 895 V HN 0.696 nan 8.190 nan 0.000 0.424 896 N N 4.135 123.092 118.700 0.428 0.000 2.295 896 N HA 0.555 5.295 4.740 -0.000 0.000 0.293 896 N C -1.501 174.281 175.510 0.454 0.000 1.040 896 N CA -0.422 52.846 53.050 0.364 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 3.078 124.434 121.300 0.094 0.000 3.137 897 W HA 0.589 5.249 4.660 -0.000 0.000 0.324 897 W C -2.183 174.332 176.519 -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 3.976 125.203 121.223 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 0.366 55.037 54.840 -0.282 0.000 0.846 898 L CB 0.838 42.784 42.059 -0.188 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 -1.647 173.390 174.900 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 1.034 122.475 121.223 0.364 0.000 2.380 900 L HA 0.623 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 0.673 55.664 54.840 0.252 0.000 0.832 900 L CB 0.730 42.865 42.059 0.127 0.000 1.124 900 L HN 1.152 nan 8.230 nan 0.000 0.454 901 G N 2.706 111.392 108.800 -0.190 0.000 2.427 901 G HA2 0.286 4.246 3.960 -0.000 0.000 0.306 901 G HA3 0.286 4.246 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 0.122 nan 4.420 nan 0.000 0.239 902 P C 0.513 177.595 177.300 -0.362 0.000 1.188 902 P CA 0.497 62.961 63.100 -1.060 0.000 0.794 902 P CB 0.571 31.793 31.700 -0.797 0.000 0.937 903 Q N 0.571 120.168 119.800 -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 0.664 29.311 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 -1.177 175.343 176.600 -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 3.050 121.594 118.700 -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 -0.379 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 0.048 120.248 120.300 -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 -0.191 0.000 1.121 906 Y CB 1.794 40.135 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 0.268 177.459 177.300 -0.181 0.000 1.150 907 P CA 2.007 65.117 63.100 0.016 0.000 0.843 907 P CB 0.208 32.004 31.700 0.158 0.000 0.787 908 D N -2.272 117.843 120.400 -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 -0.026 53.534 54.000 -0.733 0.000 0.834 908 D CB -0.178 39.880 40.800 -1.236 0.000 0.953 908 D HN 0.112 nan 8.370 nan 0.000 0.505 909 R N 1.058 121.512 120.500 -0.076 0.000 2.684 909 R HA 0.201 4.540 4.340 -0.000 0.000 0.252 909 R C -0.643 175.685 176.300 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 -1.742 119.518 121.223 0.062 0.000 3.520 910 L HA 0.326 4.666 4.340 -0.000 0.000 0.323 910 L C 1.279 178.208 176.870 0.098 0.000 1.246 910 L CA 0.084 54.959 54.840 0.059 0.000 1.085 910 L CB 0.191 42.267 42.059 0.029 0.000 1.477 910 L HN 0.094 nan 8.230 nan 0.000 0.624 911 T N -2.592 112.047 114.554 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 -0.276 68.736 68.868 0.241 0.000 0.878 911 T HN 0.399 nan 8.240 nan 0.000 0.479 912 A N 1.392 124.304 122.820 0.155 0.000 2.119 912 A HA 0.662 4.982 4.320 -0.000 0.000 0.216 912 A C 1.685 179.375 177.584 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 18.252 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 -0.669 52.583 54.000 -1.246 0.000 0.930 916 D CB 2.249 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 0.545 120.204 120.500 -1.403 0.000 2.229 917 R HA 0.475 4.815 4.340 -0.000 0.000 0.332 917 R C -1.262 174.231 176.300 -1.346 0.000 0.989 917 R CA -0.451 54.965 56.100 -1.139 0.000 0.842 917 R CB 0.486 30.391 30.300 -0.657 0.000 1.119 917 R HN 0.241 nan 8.270 nan 0.000 0.456 918 W N 2.581 123.332 121.300 -0.915 0.000 2.639 918 W HA 0.417 5.077 4.660 -0.000 0.000 0.347 918 W C -0.408 175.712 176.519 -0.664 0.000 1.067 918 W CA -0.664 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 2.671 123.014 120.400 -0.096 0.000 2.602 919 D HA 0.468 5.107 4.640 -0.000 0.000 0.245 919 D C -1.288 175.108 176.300 0.159 0.000 1.325 919 D CA -0.108 53.934 54.000 0.072 0.000 0.952 919 D CB 1.093 41.904 40.800 0.019 0.000 1.317 919 D HN 0.365 nan 8.370 nan 0.000 0.577 920 L N 2.563 123.954 121.223 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 2.578 44.809 42.059 0.286 0.000 1.425 920 L HN 0.136 nan 8.230 nan 0.000 0.414 921 P HA 0.145 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 1.096 32.853 31.700 0.094 0.000 0.984 922 L N 3.467 124.776 121.223 0.144 0.000 2.089 922 L HA -0.280 4.060 4.340 -0.000 0.000 0.213 922 L C 2.093 179.020 176.870 0.096 0.000 1.079 922 L CA 2.674 57.590 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 -1.710 114.046 115.700 0.095 0.000 2.400 923 S HA -0.188 4.282 4.470 -0.000 0.000 0.232 923 S C 1.597 176.268 174.600 0.119 0.000 1.025 923 S CA 1.221 59.485 58.200 0.107 0.000 0.993 923 S CB -0.783 62.470 63.200 0.087 0.000 0.808 923 S HN 0.522 nan 8.310 nan 0.000 0.478 924 D N 1.239 121.691 120.400 0.086 0.000 2.348 924 D HA 0.095 4.735 4.640 -0.000 0.000 0.216 924 D C 1.195 177.509 176.300 0.023 0.000 0.970 924 D CA 0.604 54.636 54.000 0.053 0.000 0.889 924 D CB -0.162 40.675 40.800 0.060 0.000 0.912 924 D HN 0.410 nan 8.370 nan 0.000 0.524 925 M N -0.290 119.334 119.600 0.039 0.000 2.505 925 M HA 0.087 4.567 4.480 -0.000 0.000 0.230 925 M C -0.165 176.155 176.300 0.033 0.000 1.153 925 M CA -0.055 55.226 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 -0.038 120.225 120.300 -0.062 0.000 2.376 926 Y HA 0.485 5.035 4.550 -0.000 0.000 0.340 926 Y C -0.860 174.975 175.900 -0.108 0.000 0.965 926 Y CA -0.690 57.383 58.100 -0.046 0.000 1.078 926 Y CB 1.461 39.956 38.460 0.057 0.000 1.193 926 Y HN -0.097 nan 8.280 nan 0.000 0.452 927 T N 8.880 122.926 114.554 -0.847 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 60.008 62.100 -0.961 0.000 0.949 927 T CB 1.058 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 -0.661 176.455 177.300 -0.306 0.000 1.768 928 P CA -0.382 62.288 63.100 -0.717 0.000 0.943 928 P CB -0.770 30.658 31.700 -0.453 0.000 1.936 929 Y N -0.320 119.883 120.300 -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 3.754 123.871 119.914 0.338 0.000 2.317 930 V HA -0.329 3.791 4.120 -0.000 0.000 0.251 930 V C 0.563 176.815 176.094 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 3.237 123.220 119.950 0.055 0.000 2.361 931 F HA 0.525 5.052 4.527 -0.000 0.000 0.364 931 F C -2.418 173.373 175.800 -0.015 0.000 1.120 931 F CA -3.282 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 -1.116 175.896 177.300 -0.481 0.000 1.228 932 P CA -0.089 62.768 63.100 -0.405 0.000 0.786 932 P CB 1.484 32.988 31.700 -0.328 0.000 0.927 933 S N -0.406 115.191 115.700 -0.171 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 -0.934 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 29.345 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 0.297 175.859 175.510 0.086 0.000 1.485 935 N CA -0.617 52.542 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 -0.168 174.492 174.900 -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 1.299 122.214 121.223 -0.512 0.000 2.499 937 L HA 0.489 4.829 4.340 -0.000 0.000 0.281 937 L C 0.887 177.196 176.870 -0.935 0.000 1.234 937 L CA 0.496 54.796 54.840 -0.900 0.000 0.839 937 L CB 0.367 41.576 42.059 -1.417 0.000 1.104 937 L HN 0.355 nan 8.230 nan 0.000 0.500 938 R N 3.601 123.464 120.500 -1.061 0.000 2.575 938 R HA 0.478 4.818 4.340 -0.000 0.000 0.293 938 R C -1.192 174.743 176.300 -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 -0.890 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 1.353 176.315 174.990 -0.047 0.000 1.240 939 C CA 0.358 59.256 59.018 -0.199 0.000 2.089 939 C CB 1.144 28.790 27.740 -0.157 0.000 2.234 939 C HN 1.074 nan 8.230 nan 0.000 0.544 940 G N 2.171 110.955 108.800 -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 -0.085 174.869 174.900 0.089 0.000 0.998 940 G CA 0.545 45.675 45.100 0.051 0.000 1.046 940 G HN 0.798 nan 8.290 nan 0.000 0.513 941 T N -0.335 114.143 114.554 -0.127 0.000 2.799 941 T HA 0.493 4.843 4.350 -0.000 0.000 0.286 941 T C 1.540 175.962 174.700 -0.464 0.000 0.973 941 T CA -0.527 61.462 62.100 -0.185 0.000 1.035 941 T CB 1.351 70.105 68.868 -0.191 0.000 0.932 941 T HN 0.385 nan 8.240 nan 0.000 0.469 942 R N 1.334 121.775 120.500 -0.098 0.000 2.279 942 R HA 0.261 4.601 4.340 -0.000 0.000 0.195 942 R C 0.527 176.876 176.300 0.082 0.000 0.905 942 R CA 0.170 56.261 56.100 -0.016 0.000 1.044 942 R CB 0.842 31.247 30.300 0.175 0.000 1.056 942 R HN 0.610 nan 8.270 nan 0.000 0.535 943 E N 0.953 121.222 120.200 0.116 0.000 2.321 943 E HA 0.272 4.622 4.350 -0.000 0.000 0.281 943 E C -2.043 174.710 176.600 0.254 0.000 0.910 943 E CA -0.616 55.919 56.400 0.225 0.000 0.770 943 E CB 1.825 31.624 29.700 0.165 0.000 1.225 943 E HN -0.098 nan 8.360 nan 0.000 0.417 944 L N 4.129 125.552 121.223 0.332 0.000 2.410 944 L HA 0.600 4.940 4.340 -0.000 0.000 0.270 944 L C -1.866 175.228 176.870 0.373 0.000 0.983 944 L CA -0.377 54.613 54.840 0.250 0.000 0.822 944 L CB 1.795 43.841 42.059 -0.022 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 -2.033 173.721 175.510 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 0.201 58.440 58.100 0.232 0.000 1.093 946 Y CB 0.566 39.204 38.460 0.297 0.000 1.203 946 Y HN 0.868 nan 8.280 nan 0.000 0.427 947 G N 6.398 115.081 108.800 -0.196 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 -1.908 172.904 174.900 -0.147 0.000 1.200 947 G CA -0.062 44.891 45.100 -0.245 0.000 0.951 947 G HN 0.552 nan 8.290 nan 0.000 0.566 948 P HA 0.131 nan 4.420 nan 0.000 0.236 948 P C 0.515 177.587 177.300 -0.380 0.000 1.177 948 P CA 0.966 63.874 63.100 -0.319 0.000 0.773 948 P CB -0.051 31.380 31.700 -0.449 0.000 0.878 949 H N -0.221 118.796 119.070 -0.089 0.000 2.505 949 H HA 0.470 5.026 4.556 -0.000 0.000 0.351 949 H C 0.419 175.514 175.328 -0.390 0.000 1.151 949 H CA -0.170 55.703 56.048 -0.291 0.000 1.339 949 H CB 0.826 30.249 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 -0.770 54.893 55.803 -0.234 0.000 0.831 950 Q CB 1.779 30.511 28.738 -0.010 0.000 1.322 950 Q HN 0.633 nan 8.270 nan 0.000 0.419 951 W N 3.544 124.849 121.300 0.007 0.000 2.819 951 W HA 0.597 5.257 4.660 -0.000 0.000 0.337 951 W C -0.453 176.161 176.519 0.158 0.000 1.077 951 W CA -0.793 56.533 57.345 -0.031 0.000 1.226 951 W CB 2.236 31.511 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 0.424 0.000 2.744 952 R HA 0.861 5.201 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 2.363 32.829 30.300 0.277 0.000 1.197 952 R HN 0.705 nan 8.270 nan 0.000 0.463 953 G N 0.500 109.585 108.800 0.476 0.000 2.513 953 G HA2 0.105 4.065 3.960 -0.000 0.000 0.182 953 G HA3 0.105 4.065 3.960 -0.000 0.000 0.182 953 G C -1.772 173.278 174.900 0.251 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 0.115 120.671 120.400 0.259 0.000 2.330 954 D HA 0.649 5.289 4.640 -0.000 0.000 0.249 954 D C -0.551 175.762 176.300 0.021 0.000 1.306 954 D CA -0.425 53.593 54.000 0.029 0.000 0.956 954 D CB 0.366 41.205 40.800 0.065 0.000 1.261 954 D HN 0.580 nan 8.370 nan 0.000 0.544 955 F N -0.051 119.895 119.950 -0.007 0.000 3.016 955 F HA 0.657 5.184 4.527 -0.000 0.000 0.324 955 F C -1.388 174.372 175.800 -0.068 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 -0.139 0.000 1.440 955 F HN -0.095 nan 8.300 nan 0.000 0.505 956 Q N 1.434 121.322 119.800 0.147 0.000 2.387 956 Q HA 0.677 5.017 4.340 -0.000 0.000 0.273 956 Q C -1.316 174.780 176.000 0.160 0.000 1.089 956 Q CA -0.514 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 -1.179 118.659 119.950 -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 -1.084 56.766 58.000 -0.251 0.000 0.941 957 F CB 1.618 40.482 39.000 -0.225 0.000 1.349 957 F HN 0.576 nan 8.300 nan 0.000 0.464 958 N N 1.082 119.654 118.700 -0.212 0.000 2.329 958 N HA 0.692 5.432 4.740 -0.000 0.000 0.282 958 N C -2.190 173.295 175.510 -0.043 0.000 1.198 958 N CA -0.684 52.211 53.050 -0.258 0.000 0.790 958 N CB 2.504 40.831 38.487 -0.267 0.000 1.579 958 N HN 1.131 nan 8.380 nan 0.000 0.475 959 I N 0.624 121.155 120.570 -0.065 0.000 2.610 959 I HA 0.678 4.848 4.170 -0.000 0.000 0.289 959 I C -1.254 174.818 176.117 -0.076 0.000 1.163 959 I CA 0.072 61.312 61.300 -0.100 0.000 1.044 959 I CB 1.335 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 6.368 122.037 115.700 -0.052 0.000 2.714 960 S HA 0.518 4.988 4.470 -0.000 0.000 0.280 960 S C -0.351 174.183 174.600 -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 -0.979 174.969 176.300 -0.586 0.000 0.943 961 R CA 0.195 56.008 56.100 -0.479 0.000 1.081 961 R CB -0.541 29.346 30.300 -0.688 0.000 1.166 961 R HN 0.634 nan 8.270 nan 0.000 0.534 962 Y N 0.343 120.610 120.300 -0.054 0.000 2.409 962 Y HA 0.250 4.800 4.550 -0.000 0.000 0.343 962 Y C 0.783 176.429 175.900 -0.423 0.000 0.973 962 Y CA -1.171 56.804 58.100 -0.209 0.000 1.064 962 Y CB 1.478 39.770 38.460 -0.279 0.000 1.207 962 Y HN -0.098 nan 8.280 nan 0.000 0.452 963 S N 1.554 116.904 115.700 -0.584 0.000 2.603 963 S HA 0.077 4.547 4.470 -0.000 0.000 0.268 963 S C 0.865 175.130 174.600 -0.558 0.000 1.317 963 S CA -0.690 56.819 58.200 -1.150 0.000 1.012 963 S CB 1.170 63.643 63.200 -1.212 0.000 0.926 963 S HN 0.751 nan 8.310 nan 0.000 0.539 964 Q N 0.606 120.086 119.800 -0.534 0.000 2.135 964 Q HA -0.193 4.147 4.340 -0.000 0.000 0.204 964 Q C 2.176 178.042 176.000 -0.222 0.000 0.981 964 Q CA 1.774 57.408 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 0.654 120.296 119.800 -0.264 0.000 2.079 965 Q HA -0.201 4.139 4.340 -0.000 0.000 0.200 965 Q C 2.044 177.947 176.000 -0.162 0.000 0.974 965 Q CA 1.325 57.026 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 0.126 119.806 119.800 -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 56.999 55.803 -0.179 0.000 0.840 966 Q CB -0.092 28.522 28.738 -0.207 0.000 0.898 966 Q HN 0.465 nan 8.270 nan 0.000 0.424 967 L N 0.176 121.279 121.223 -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 1.398 56.111 54.840 -0.213 0.000 0.752 967 L CB -0.386 41.577 42.059 -0.159 0.000 0.891 967 L HN 0.417 nan 8.230 nan 0.000 0.432 968 M N -0.642 118.858 119.600 -0.167 0.000 2.394 968 M HA -0.148 4.332 4.480 -0.000 0.000 0.264 968 M C 1.584 177.804 176.300 -0.133 0.000 1.073 968 M CA 1.546 56.760 55.300 -0.144 0.000 1.111 968 M CB 0.132 32.664 32.600 -0.113 0.000 1.401 968 M HN 0.193 nan 8.290 nan 0.000 0.448 969 E N -0.730 119.394 120.200 -0.128 0.000 2.452 969 E HA 0.066 4.416 4.350 -0.000 0.000 0.197 969 E C -0.250 176.300 176.600 -0.085 0.000 1.022 969 E CA 0.155 56.502 56.400 -0.088 0.000 0.890 969 E CB 0.562 30.223 29.700 -0.065 0.000 0.918 969 E HN 0.317 nan 8.360 nan 0.000 0.496 970 T N 0.831 115.303 114.554 -0.137 0.000 2.744 970 T HA 0.072 4.422 4.350 -0.000 0.000 0.291 970 T C 1.128 175.728 174.700 -0.167 0.000 0.957 970 T CA -0.312 61.706 62.100 -0.136 0.000 1.002 970 T CB 1.530 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 2.182 117.870 115.700 -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 0.349 58.608 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 0.240 119.294 119.070 -0.026 0.000 2.851 972 H HA 0.515 5.071 4.556 -0.000 0.000 0.372 972 H C 0.943 176.235 175.328 -0.060 0.000 1.158 972 H CA -0.762 55.334 56.048 0.079 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 1.351 121.959 120.500 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 1.938 58.072 56.100 0.056 0.000 0.967 973 R CB -0.570 29.789 30.300 0.099 0.000 0.861 973 R HN 0.772 nan 8.270 nan 0.000 0.442 974 H N 1.585 120.657 119.070 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 1.045 57.047 56.048 -0.075 0.000 1.305 974 H CB -0.246 29.457 29.762 -0.097 0.000 1.386 974 H HN 0.322 nan 8.280 nan 0.000 0.551 975 L N 0.901 121.691 121.223 -0.722 0.000 2.591 975 L HA 0.196 4.536 4.340 -0.000 0.000 0.228 975 L C 0.582 177.318 176.870 -0.223 0.000 1.133 975 L CA -0.104 54.447 54.840 -0.483 0.000 0.880 975 L CB -0.034 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 0.744 121.837 121.223 -0.217 0.000 2.395 976 L HA 0.217 4.557 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 -0.297 54.415 54.840 -0.214 0.000 0.812 976 L CB 0.606 42.354 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 31.177 29.762 0.023 0.000 1.521 977 H HN 0.698 nan 8.280 nan 0.000 0.514 978 A N 4.047 126.949 122.820 0.136 0.000 2.540 978 A HA 0.084 4.404 4.320 -0.000 0.000 0.239 978 A C 0.357 177.960 177.584 0.032 0.000 1.061 978 A CA -0.188 51.766 52.037 -0.138 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 1.110 121.285 120.200 -0.040 0.000 2.359 979 E HA 0.117 4.467 4.350 -0.000 0.000 0.255 979 E C 0.639 177.259 176.600 0.033 0.000 1.191 979 E CA -0.697 55.769 56.400 0.108 0.000 0.952 979 E CB 0.671 30.522 29.700 0.252 0.000 1.152 979 E HN 0.822 nan 8.360 nan 0.000 0.496 980 E N 0.229 120.448 120.200 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 1.728 58.110 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 -1.359 107.348 108.800 -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 -0.684 174.135 174.900 -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 0.454 114.924 114.554 -0.139 0.000 2.807 982 T HA 0.411 4.761 4.350 -0.000 0.000 0.279 982 T C -1.555 173.008 174.700 -0.227 0.000 0.993 982 T CA -0.073 61.967 62.100 -0.100 0.000 0.970 982 T CB 1.609 70.506 68.868 0.049 0.000 0.950 982 T HN 0.309 nan 8.240 nan 0.000 0.441 983 W N 3.070 124.284 121.300 -0.144 0.000 2.361 983 W HA 0.631 5.291 4.660 -0.000 0.000 0.309 983 W C -0.433 175.969 176.519 -0.196 0.000 1.122 983 W CA -0.704 56.553 57.345 -0.146 0.000 1.208 983 W CB 0.916 30.297 29.460 -0.132 0.000 1.246 983 W HN 0.366 nan 8.180 nan 0.000 0.490 984 L N 5.424 126.682 121.223 0.057 0.000 2.362 984 L HA 0.524 4.864 4.340 -0.000 0.000 0.275 984 L C -1.000 175.793 176.870 -0.127 0.000 0.998 984 L CA -0.448 54.304 54.840 -0.146 0.000 0.820 984 L CB 1.091 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 6.942 125.548 118.700 -0.156 0.000 2.442 985 N HA 0.452 5.192 4.740 -0.000 0.000 0.274 985 N C -1.274 174.106 175.510 -0.216 0.000 1.002 985 N CA -0.343 52.605 53.050 -0.169 0.000 0.910 985 N CB 2.246 40.657 38.487 -0.127 0.000 1.244 985 N HN 0.487 nan 8.380 nan 0.000 0.492 986 I N 1.838 122.224 120.570 -0.306 0.000 2.354 986 I HA 0.266 4.435 4.170 -0.000 0.000 0.286 986 I C -0.459 175.469 176.117 -0.316 0.000 1.007 986 I CA -0.451 60.625 61.300 -0.373 0.000 1.167 986 I CB 1.398 39.035 38.000 -0.606 0.000 1.320 986 I HN 0.170 nan 8.210 nan 0.000 0.458 987 D N 4.546 124.802 120.400 -0.241 0.000 2.217 987 D HA 0.316 4.956 4.640 -0.000 0.000 0.243 987 D C 1.069 177.087 176.300 -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 1.215 109.462 108.800 -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 0.568 44.882 45.100 -1.310 0.000 0.793 988 G HN 0.385 nan 8.290 nan 0.000 0.535 989 F N -1.918 117.823 119.950 -0.348 0.000 2.654 989 F HA 0.545 5.072 4.527 -0.000 0.000 0.308 989 F C -0.666 175.026 175.800 -0.179 0.000 1.108 989 F CA -1.258 56.619 58.000 -0.205 0.000 0.957 989 F CB 1.904 40.726 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 -1.142 174.204 175.328 0.030 0.000 1.114 990 H CA -0.719 55.308 56.048 -0.034 0.000 1.208 990 H CB 2.489 32.210 29.762 -0.067 0.000 1.727 990 H HN 0.837 nan 8.280 nan 0.000 0.534 991 M N 2.425 122.001 119.600 -0.039 0.000 2.245 991 M HA 0.264 4.744 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 0.279 55.611 55.300 0.054 0.000 1.172 991 M CB 0.381 32.914 32.600 -0.112 0.000 1.467 991 M HN 0.745 nan 8.290 nan 0.000 0.454 992 G N 2.374 111.255 108.800 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 1.149 177.191 176.117 -0.126 0.000 1.274 993 I CA 0.505 61.701 61.300 -0.174 0.000 1.301 993 I CB -0.325 37.484 38.000 -0.319 0.000 1.105 993 I HN 0.970 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 0.056 4.016 3.960 -0.000 0.000 0.244 994 G HA3 0.056 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 0.103 45.190 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 0.024 3.984 3.960 -0.000 0.000 0.174 995 G HA3 0.024 3.984 3.960 -0.000 0.000 0.174 995 G C 0.604 175.547 174.900 0.072 0.000 1.002 995 G CA 0.935 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 0.957 177.276 176.300 0.031 0.000 0.982 996 D CA 2.079 56.192 54.000 0.188 0.000 0.857 996 D CB 0.148 41.074 40.800 0.209 0.000 0.934 996 D HN 0.836 nan 8.370 nan 0.000 0.475 997 D N -3.528 116.692 120.400 -0.300 0.000 2.653 997 D HA 0.247 4.887 4.640 -0.000 0.000 0.258 997 D C -0.855 174.929 176.300 -0.860 0.000 1.252 997 D CA -0.735 52.668 54.000 -0.995 0.000 0.777 997 D CB 0.738 40.505 40.800 -1.722 0.000 1.339 997 D HN -0.292 nan 8.370 nan 0.000 0.422 998 S N -0.179 114.811 115.700 -1.185 0.000 2.588 998 S HA 0.259 4.728 4.470 -0.000 0.000 0.245 998 S C -0.504 174.162 174.600 0.110 0.000 1.021 998 S CA -0.642 57.403 58.200 -0.258 0.000 1.006 998 S CB -0.600 62.683 63.200 0.139 0.000 0.830 998 S HN 0.615 nan 8.310 nan 0.000 0.468 999 W N 0.924 122.169 121.300 -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 -0.564 56.738 57.345 -0.072 0.000 1.488 999 W CB -0.546 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 -3.156 171.395 174.600 -0.082 0.000 1.155 1000 S CA -1.659 56.489 58.200 -0.087 0.000 0.827 1000 S CB 1.738 64.898 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 0.229 177.578 177.300 0.082 0.000 1.215 1001 P CA -0.128 63.005 63.100 0.054 0.000 0.763 1001 P CB 0.687 32.332 31.700 -0.091 0.000 0.806 1002 S N 0.690 116.464 115.700 0.124 0.000 2.819 1002 S HA 0.163 4.633 4.470 -0.000 0.000 0.249 1002 S C 0.205 174.884 174.600 0.131 0.000 1.030 1002 S CA -0.363 57.885 58.200 0.080 0.000 1.052 1002 S CB -0.263 62.934 63.200 -0.005 0.000 1.017 1002 S HN 0.117 nan 8.310 nan 0.000 0.576 1003 V N 4.230 124.265 119.914 0.202 0.000 2.408 1003 V HA 0.415 4.535 4.120 -0.000 0.000 0.267 1003 V C 0.783 177.037 176.094 0.266 0.000 1.047 1003 V CA -0.476 61.942 62.300 0.195 0.000 0.937 1003 V CB 0.638 32.534 31.823 0.123 0.000 0.999 1003 V HN 0.650 nan 8.190 nan 0.000 0.472 1004 S N 4.439 120.323 115.700 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 1.302 64.630 63.200 0.212 0.000 0.892 1004 S HN 1.045 nan 8.310 nan 0.000 0.529 1005 A N 1.921 124.828 122.820 0.145 0.000 1.917 1005 A HA -0.190 4.130 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 1.982 54.082 52.037 0.106 0.000 0.633 1005 A CB -1.230 17.813 19.000 0.072 0.000 0.819 1005 A HN 0.962 nan 8.150 nan 0.000 0.448 1006 E N -1.051 119.054 120.200 -0.158 0.000 2.396 1006 E HA -0.117 4.233 4.350 -0.000 0.000 0.200 1006 E C 0.717 176.995 176.600 -0.537 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 0.546 176.380 175.800 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 1.326 121.238 119.800 0.186 0.000 2.230 1008 Q HA 0.415 4.755 4.340 -0.000 0.000 0.248 1008 Q C -0.227 175.799 176.000 0.043 0.000 0.915 1008 Q CA -0.568 55.322 55.803 0.144 0.000 0.900 1008 Q CB 2.049 30.956 28.738 0.281 0.000 1.229 1008 Q HN 0.259 nan 8.270 nan 0.000 0.439 1009 L N 2.421 123.648 121.223 0.007 0.000 2.399 1009 L HA 0.113 4.453 4.340 -0.000 0.000 0.257 1009 L C 0.671 177.457 176.870 -0.140 0.000 1.236 1009 L CA -0.065 54.754 54.840 -0.036 0.000 1.144 1009 L CB -0.303 41.649 42.059 -0.179 0.000 1.379 1009 L HN 0.696 nan 8.230 nan 0.000 0.414 1010 S N -0.983 114.570 115.700 -0.245 0.000 2.568 1010 S HA 0.158 4.628 4.470 -0.000 0.000 0.232 1010 S C 1.568 176.083 174.600 -0.140 0.000 0.975 1010 S CA 0.161 58.062 58.200 -0.500 0.000 0.949 1010 S CB 0.742 63.633 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 0.491 4.811 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 1.071 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 -1.425 107.311 108.800 -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 0.433 175.296 174.900 -0.062 0.000 1.103 1012 G CA 0.386 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 1.593 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 0.314 120.617 120.300 0.005 0.000 2.477 1014 Y HA 0.345 4.895 4.550 -0.000 0.000 0.347 1014 Y C -0.378 175.686 175.900 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 2.718 122.070 119.070 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 -0.923 55.374 56.048 0.416 0.000 1.196 1015 H CB 1.213 31.116 29.762 0.235 0.000 1.636 1015 H HN 0.585 nan 8.280 nan 0.000 0.531 1016 Y N 1.190 121.276 120.300 -0.357 0.000 2.638 1016 Y HA 0.583 5.133 4.550 -0.000 0.000 0.335 1016 Y C -1.912 173.794 175.900 -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 39.854 38.460 -0.068 0.000 1.303 1016 Y HN 0.661 nan 8.280 nan 0.000 0.460 1017 Q N 2.315 122.081 119.800 -0.056 0.000 2.418 1017 Q HA 0.811 5.150 4.340 -0.000 0.000 0.282 1017 Q C -1.811 174.254 176.000 0.108 0.000 1.044 1017 Q CA -0.992 54.774 55.803 -0.062 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 -1.192 175.786 176.870 0.181 0.000 1.026 1018 L CA -1.215 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 0.288 120.341 119.914 0.233 0.000 2.531 1019 V HA 0.463 4.582 4.120 -0.000 0.000 0.301 1019 V C -1.107 175.172 176.094 0.308 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 -0.080 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