REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1f49_1_G 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 -2.320 112.265 114.554 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 0.964 63.080 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 2.373 122.862 120.400 0.149 0.000 2.340 5 D HA 0.088 4.728 4.640 -0.000 0.000 0.220 5 D C 0.959 177.471 176.300 0.353 0.000 1.039 5 D CA 0.157 54.351 54.000 0.323 0.000 0.866 5 D CB 0.057 41.066 40.800 0.349 0.000 0.913 5 D HN 0.567 nan 8.370 nan 0.000 0.523 6 S N 0.067 115.860 115.700 0.154 0.000 2.548 6 S HA 0.086 4.556 4.470 -0.000 0.000 0.277 6 S C 1.336 175.989 174.600 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 3.575 124.827 121.223 0.049 0.000 2.051 7 L HA -0.126 4.214 4.340 -0.000 0.000 0.214 7 L C 2.899 179.788 176.870 0.032 0.000 1.076 7 L CA 2.504 57.379 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 -1.826 120.999 122.820 0.008 0.000 2.015 8 A HA -0.097 4.223 4.320 -0.000 0.000 0.219 8 A C 2.393 179.971 177.584 -0.009 0.000 1.163 8 A CA 1.741 53.780 52.037 0.003 0.000 0.646 8 A CB -0.572 18.425 19.000 -0.004 0.000 0.806 8 A HN 0.233 nan 8.150 nan 0.000 0.448 9 V N -1.024 118.876 119.914 -0.023 0.000 2.341 9 V HA -0.129 3.991 4.120 -0.000 0.000 0.240 9 V C 2.541 178.562 176.094 -0.121 0.000 1.035 9 V CA 1.514 63.777 62.300 -0.061 0.000 1.033 9 V CB -0.376 31.414 31.823 -0.054 0.000 0.678 9 V HN 0.320 nan 8.190 nan 0.000 0.464 10 V N 0.754 120.567 119.914 -0.168 0.000 2.250 10 V HA -0.298 3.822 4.120 -0.000 0.000 0.250 10 V C 2.163 178.135 176.094 -0.203 0.000 1.060 10 V CA 2.243 64.328 62.300 -0.357 0.000 1.030 10 V CB -0.694 30.870 31.823 -0.432 0.000 0.643 10 V HN 0.482 nan 8.190 nan 0.000 0.445 11 L N 0.280 121.493 121.223 -0.016 0.000 2.622 11 L HA -0.104 4.236 4.340 -0.000 0.000 0.233 11 L C 2.337 179.280 176.870 0.121 0.000 1.156 11 L CA 0.799 55.762 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 0.712 120.509 119.800 -0.005 0.000 2.137 12 Q HA -0.102 4.237 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 1.183 56.964 55.803 -0.037 0.000 0.847 12 Q CB 0.020 28.728 28.738 -0.050 0.000 0.915 12 Q HN 0.191 nan 8.270 nan 0.000 0.448 13 R N 0.512 120.935 120.500 -0.129 0.000 2.096 13 R HA 0.010 4.350 4.340 -0.000 0.000 0.235 13 R C 0.286 176.417 176.300 -0.282 0.000 1.127 13 R CA 1.136 57.131 56.100 -0.175 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 0.782 121.030 120.500 -0.420 0.000 3.261 14 R HA -0.122 4.218 4.340 -0.000 0.000 0.257 14 R C -0.137 175.698 176.300 -0.776 0.000 1.014 14 R CA 0.411 55.877 56.100 -1.057 0.000 0.681 14 R CB -1.233 28.581 30.300 -0.812 0.000 1.155 14 R HN 0.322 nan 8.270 nan 0.000 0.424 15 D N -0.316 119.821 120.400 -0.438 0.000 2.221 15 D HA -0.186 4.454 4.640 -0.000 0.000 0.204 15 D C 1.587 177.849 176.300 -0.064 0.000 0.982 15 D CA 1.763 55.573 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 1.610 122.945 121.300 0.058 0.000 3.292 16 W HA 0.159 4.819 4.660 -0.000 0.000 0.263 16 W C 0.251 176.875 176.519 0.174 0.000 1.318 16 W CA -0.216 57.257 57.345 0.213 0.000 1.663 16 W CB -0.262 29.355 29.460 0.263 0.000 1.114 16 W HN -0.164 nan 8.180 nan 0.000 0.706 17 E N 1.026 121.055 120.200 -0.284 0.000 3.306 17 E HA 0.085 4.435 4.350 -0.000 0.000 0.197 17 E C -0.836 175.644 176.600 -0.200 0.000 0.980 17 E CA -0.285 56.014 56.400 -0.169 0.000 1.259 17 E CB -0.173 29.472 29.700 -0.093 0.000 1.112 17 E HN 0.078 nan 8.360 nan 0.000 0.458 18 N N 1.242 119.850 118.700 -0.153 0.000 2.572 18 N HA 0.141 4.880 4.740 -0.000 0.000 0.287 18 N C -2.373 173.016 175.510 -0.202 0.000 1.136 18 N CA -1.934 50.993 53.050 -0.206 0.000 0.900 18 N CB 1.627 40.001 38.487 -0.189 0.000 1.484 18 N HN -0.228 nan 8.380 nan 0.000 0.526 19 P HA 0.075 nan 4.420 nan 0.000 0.230 19 P C 1.073 178.143 177.300 -0.383 0.000 1.158 19 P CA 0.658 63.436 63.100 -0.537 0.000 0.769 19 P CB 0.169 31.094 31.700 -1.293 0.000 0.807 20 G N -0.343 108.276 108.800 -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 0.322 175.151 174.900 -0.117 0.000 1.133 20 G CA 0.213 45.190 45.100 -0.206 0.000 0.791 20 G HN 0.211 nan 8.290 nan 0.000 0.538 21 V N 1.445 121.311 119.914 -0.080 0.000 2.326 21 V HA 0.355 4.475 4.120 -0.000 0.000 0.281 21 V C 0.849 177.005 176.094 0.102 0.000 1.015 21 V CA 0.153 62.460 62.300 0.012 0.000 0.823 21 V CB 1.214 33.041 31.823 0.007 0.000 1.009 21 V HN 0.304 nan 8.190 nan 0.000 0.436 22 T N 0.739 115.337 114.554 0.074 0.000 2.985 22 T HA 0.353 4.703 4.350 -0.000 0.000 0.254 22 T C 0.275 174.987 174.700 0.020 0.000 1.021 22 T CA 0.217 62.350 62.100 0.055 0.000 0.957 22 T CB 0.385 69.248 68.868 -0.010 0.000 1.047 22 T HN 0.691 nan 8.240 nan 0.000 0.511 23 Q N 0.340 120.199 119.800 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 1.077 29.785 28.738 -0.049 0.000 1.472 23 Q HN 0.230 nan 8.270 nan 0.000 0.416 24 L N 1.701 123.067 121.223 0.240 0.000 2.580 24 L HA 0.558 4.898 4.340 -0.000 0.000 0.266 24 L C -0.791 176.225 176.870 0.243 0.000 0.955 24 L CA -0.806 54.196 54.840 0.270 0.000 0.886 24 L CB 1.888 44.208 42.059 0.435 0.000 1.263 24 L HN 0.867 nan 8.230 nan 0.000 0.406 25 N N 0.577 119.379 118.700 0.171 0.000 2.800 25 N HA -0.204 4.536 4.740 -0.000 0.000 0.250 25 N C 0.220 175.807 175.510 0.128 0.000 1.078 25 N CA 0.730 53.880 53.050 0.167 0.000 0.804 25 N CB -0.745 37.828 38.487 0.142 0.000 1.135 25 N HN 0.690 nan 8.380 nan 0.000 0.565 26 R N 1.208 121.656 120.500 -0.087 0.000 2.340 26 R HA 0.401 4.741 4.340 -0.000 0.000 0.300 26 R C 0.700 176.854 176.300 -0.244 0.000 1.069 26 R CA -0.327 55.492 56.100 -0.469 0.000 0.984 26 R CB 0.558 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 2.750 123.823 121.223 -0.251 0.000 2.479 27 L HA 0.329 4.669 4.340 -0.000 0.000 0.248 27 L C 0.756 177.589 176.870 -0.061 0.000 1.205 27 L CA -0.631 54.158 54.840 -0.085 0.000 0.817 27 L CB 0.464 42.511 42.059 -0.019 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 0.553 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 0.730 123.543 122.820 -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 -0.001 18.904 19.000 -0.159 0.000 1.056 29 A HN 1.791 nan 8.150 nan 0.000 0.489 30 H N -2.522 116.448 119.070 -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 54.171 56.048 -0.234 0.000 1.147 30 H CB 0.015 29.605 29.762 -0.288 0.000 1.824 30 H HN 0.403 nan 8.280 nan 0.000 0.505 31 P HA 0.206 nan 4.420 nan 0.000 0.274 31 P C -2.591 174.459 177.300 -0.417 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 0.104 0.000 1.226 32 P CA 0.774 63.822 63.100 -0.087 0.000 0.765 32 P CB -0.126 31.594 31.700 0.034 0.000 0.835 33 F N 1.390 121.461 119.950 0.203 0.000 2.492 33 F HA 0.584 5.111 4.527 -0.000 0.000 0.327 33 F C 1.138 176.889 175.800 -0.081 0.000 1.079 33 F CA -0.950 57.100 58.000 0.084 0.000 0.967 33 F CB 2.028 41.032 39.000 0.007 0.000 1.169 33 F HN 0.235 nan 8.300 nan 0.000 0.472 34 A N 0.565 123.352 122.820 -0.054 0.000 2.340 34 A HA 0.253 4.573 4.320 -0.000 0.000 0.213 34 A C 0.820 178.124 177.584 -0.467 0.000 1.299 34 A CA 0.486 52.232 52.037 -0.485 0.000 0.994 34 A CB -0.034 18.126 19.000 -1.400 0.000 1.132 34 A HN 0.772 nan 8.150 nan 0.000 0.519 35 S N -0.206 115.322 115.700 -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 -0.012 0.000 1.288 36 W CA -0.197 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 1.535 122.198 120.500 0.272 0.000 2.508 37 R HA 0.093 4.433 4.340 -0.000 0.000 0.300 37 R C 0.088 176.468 176.300 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 0.509 119.305 118.700 0.160 0.000 2.425 38 N HA -0.022 4.718 4.740 -0.000 0.000 0.289 38 N C 0.379 175.881 175.510 -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 40.711 38.487 0.055 0.000 1.586 38 N HN -0.103 nan 8.380 nan 0.000 0.490 39 S N 2.761 118.432 115.700 -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 1.269 59.398 58.200 -0.117 0.000 1.018 39 S CB -0.208 62.957 63.200 -0.058 0.000 0.876 39 S HN 0.670 nan 8.310 nan 0.000 0.448 40 E N 0.934 121.017 120.200 -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 57.404 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 0.617 120.660 120.200 -0.262 0.000 2.051 41 E HA -0.156 4.194 4.350 -0.000 0.000 0.192 41 E C 2.080 178.194 176.600 -0.810 0.000 0.991 41 E CA 0.979 57.211 56.400 -0.281 0.000 0.799 41 E CB -0.082 29.620 29.700 0.003 0.000 0.748 41 E HN 0.178 nan 8.360 nan 0.000 0.449 42 A N 1.578 123.626 122.820 -1.288 0.000 1.902 42 A HA -0.215 4.105 4.320 -0.000 0.000 0.217 42 A C 2.104 179.067 177.584 -1.036 0.000 1.181 42 A CA 1.632 52.444 52.037 -2.043 0.000 0.623 42 A CB -0.504 17.811 19.000 -1.141 0.000 0.818 42 A HN 0.113 nan 8.150 nan 0.000 0.443 43 R N -0.072 120.034 120.500 -0.656 0.000 2.152 43 R HA -0.110 4.230 4.340 -0.000 0.000 0.232 43 R C 1.442 177.494 176.300 -0.412 0.000 1.117 43 R CA 1.937 57.725 56.100 -0.520 0.000 0.981 43 R CB -0.354 29.564 30.300 -0.638 0.000 0.870 43 R HN 0.584 nan 8.270 nan 0.000 0.451 44 T N -2.847 111.486 114.554 -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 69.009 68.868 -0.175 0.000 1.016 44 T HN 0.254 nan 8.240 nan 0.000 0.544 45 D N 1.336 121.625 120.400 -0.185 0.000 2.800 45 D HA -0.151 4.489 4.640 -0.000 0.000 0.232 45 D C 0.051 176.456 176.300 0.176 0.000 1.137 45 D CA 0.386 54.408 54.000 0.037 0.000 0.718 45 D CB -0.856 40.001 40.800 0.096 0.000 1.084 45 D HN 0.553 nan 8.370 nan 0.000 0.432 46 R N -0.114 120.485 120.500 0.164 0.000 2.652 46 R HA 0.493 4.833 4.340 -0.000 0.000 0.271 46 R C -2.123 174.439 176.300 0.438 0.000 1.129 46 R CA -1.196 55.053 56.100 0.248 0.000 1.200 46 R CB 0.000 30.392 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 -0.652 176.761 177.300 0.188 0.000 1.239 47 P CA -0.137 63.088 63.100 0.208 0.000 0.789 47 P CB 1.148 32.927 31.700 0.132 0.000 0.933 48 S N 1.790 117.482 115.700 -0.014 0.000 2.525 48 S HA 0.167 4.637 4.470 -0.000 0.000 0.290 48 S C 0.934 175.520 174.600 -0.024 0.000 1.152 48 S CA -0.538 57.578 58.200 -0.139 0.000 1.072 48 S CB 0.886 63.647 63.200 -0.732 0.000 1.027 48 S HN 0.373 nan 8.310 nan 0.000 0.500 49 Q N 1.719 121.550 119.800 0.052 0.000 2.472 49 Q HA -0.009 4.331 4.340 -0.000 0.000 0.208 49 Q C 0.788 176.926 176.000 0.230 0.000 0.958 49 Q CA 0.350 56.233 55.803 0.135 0.000 0.932 49 Q CB -0.145 28.684 28.738 0.151 0.000 1.007 49 Q HN 0.781 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 0.012 176.053 176.000 0.070 0.000 0.929 50 Q CA 0.136 55.982 55.803 0.072 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 1.470 43.506 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 -0.910 175.430 176.300 0.066 0.000 0.969 52 R CA -0.592 55.586 56.100 0.130 0.000 0.879 52 R CB 2.264 32.658 30.300 0.157 0.000 1.178 52 R HN 0.691 nan 8.270 nan 0.000 0.445 53 S N 2.692 118.420 115.700 0.046 0.000 2.565 53 S HA 0.276 4.746 4.470 -0.000 0.000 0.274 53 S C 0.970 175.590 174.600 0.033 0.000 1.309 53 S CA -0.430 57.791 58.200 0.034 0.000 1.043 53 S CB 0.510 63.737 63.200 0.046 0.000 0.939 53 S HN 0.541 nan 8.310 nan 0.000 0.504 54 L N 3.457 124.709 121.223 0.048 0.000 2.857 54 L HA 0.285 4.625 4.340 -0.000 0.000 0.249 54 L C -0.020 177.058 176.870 0.347 0.000 1.172 54 L CA -0.256 54.648 54.840 0.106 0.000 0.980 54 L CB -0.330 41.762 42.059 0.055 0.000 1.299 54 L HN 0.497 nan 8.230 nan 0.000 0.535 55 N N 1.383 120.211 118.700 0.212 0.000 2.530 55 N HA 0.512 5.252 4.740 -0.000 0.000 0.273 55 N C 0.634 176.294 175.510 0.251 0.000 1.173 55 N CA 0.769 53.947 53.050 0.215 0.000 0.967 55 N CB 1.689 40.227 38.487 0.085 0.000 1.109 55 N HN 0.304 nan 8.380 nan 0.000 0.453 56 G N 0.770 109.755 108.800 0.308 0.000 2.366 56 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.190 56 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.190 56 G C -1.350 173.790 174.900 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 -0.306 120.087 120.200 0.322 0.000 2.313 57 E HA 0.529 4.879 4.350 -0.000 0.000 0.276 57 E C -1.131 175.738 176.600 0.449 0.000 1.031 57 E CA -0.127 56.471 56.400 0.329 0.000 0.857 57 E CB 0.809 30.615 29.700 0.177 0.000 1.040 57 E HN 0.383 nan 8.360 nan 0.000 0.408 58 W N 1.657 123.046 121.300 0.147 0.000 3.047 58 W HA 0.402 5.062 4.660 -0.000 0.000 0.341 58 W C -0.529 176.108 176.519 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 30.511 29.460 0.286 0.000 1.470 58 W HN 0.265 nan 8.180 nan 0.000 0.578 59 R N 1.603 122.365 120.500 0.438 0.000 2.474 59 R HA 0.656 4.996 4.340 -0.000 0.000 0.295 59 R C -1.402 175.101 176.300 0.338 0.000 0.980 59 R CA -0.784 55.507 56.100 0.318 0.000 0.934 59 R CB 1.579 32.012 30.300 0.221 0.000 1.101 59 R HN 0.450 nan 8.270 nan 0.000 0.469 60 F N 0.522 120.492 119.950 0.033 0.000 2.578 60 F HA 0.664 5.191 4.527 -0.000 0.000 0.311 60 F C -1.479 174.181 175.800 -0.233 0.000 1.094 60 F CA -0.624 57.257 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 -0.561 50.802 52.037 -1.124 0.000 0.690 61 A CB 0.779 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 1.814 122.334 121.300 -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 -0.993 0.000 1.060 62 W CA -0.441 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 4.803 124.117 119.950 -1.060 0.000 2.631 63 F HA 0.349 4.876 4.527 -0.000 0.000 0.308 63 F C -1.533 173.456 175.800 -1.353 0.000 1.097 63 F CA -2.390 55.115 58.000 -0.824 0.000 0.952 63 F CB 1.395 40.074 39.000 -0.535 0.000 1.307 63 F HN 0.142 nan 8.300 nan 0.000 0.450 64 P HA 0.078 nan 4.420 nan 0.000 0.226 64 P C -0.241 176.964 177.300 -0.157 0.000 1.153 64 P CA 1.037 63.957 63.100 -0.300 0.000 0.777 64 P CB 0.579 32.318 31.700 0.066 0.000 0.794 65 A N -1.049 121.684 122.820 -0.145 0.000 2.605 65 A HA 0.521 4.841 4.320 -0.000 0.000 0.294 65 A C -2.380 175.107 177.584 -0.162 0.000 1.062 65 A CA -1.087 50.894 52.037 -0.093 0.000 0.682 65 A CB 0.610 19.614 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 1.646 64.600 63.100 -0.243 0.000 0.837 66 P CB 0.204 31.733 31.700 -0.285 0.000 0.786 67 E N 0.287 120.444 120.200 -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 1.536 57.915 56.400 -0.035 0.000 0.810 67 E CB -0.891 28.826 29.700 0.029 0.000 0.738 67 E HN 0.228 nan 8.360 nan 0.000 0.467 68 A N 0.727 123.486 122.820 -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 0.070 52.064 52.037 -0.072 0.000 0.761 68 A CB -0.010 19.040 19.000 0.083 0.000 0.801 68 A HN 0.043 nan 8.150 nan 0.000 0.473 69 V N 2.529 122.107 119.914 -0.559 0.000 2.572 69 V HA 0.213 4.333 4.120 -0.000 0.000 0.291 69 V C -2.133 173.746 176.094 -0.359 0.000 1.039 69 V CA -1.306 60.489 62.300 -0.842 0.000 1.055 69 V CB 0.754 32.007 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 -0.521 62.529 63.100 -0.085 0.000 0.827 70 P CB 1.643 33.339 31.700 -0.006 0.000 0.992 71 E N 1.717 121.890 120.200 -0.045 0.000 2.169 71 E HA -0.234 4.116 4.350 -0.000 0.000 0.202 71 E C 1.670 178.233 176.600 -0.062 0.000 1.016 71 E CA 2.425 58.790 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 -0.204 115.484 115.700 -0.021 0.000 2.383 72 S HA -0.230 4.240 4.470 -0.000 0.000 0.229 72 S C 1.411 175.988 174.600 -0.038 0.000 1.030 72 S CA 1.124 59.311 58.200 -0.021 0.000 1.002 72 S CB -0.739 62.473 63.200 0.020 0.000 0.829 72 S HN 0.548 nan 8.310 nan 0.000 0.467 73 W N 2.696 123.904 121.300 -0.153 0.000 2.292 73 W HA -0.186 4.474 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 1.105 58.350 57.345 -0.166 0.000 1.241 73 W CB -0.642 28.691 29.460 -0.212 0.000 1.142 73 W HN 0.246 nan 8.180 nan 0.000 0.520 74 L N 0.055 120.956 121.223 -0.537 0.000 2.083 74 L HA -0.206 4.134 4.340 -0.000 0.000 0.209 74 L C 2.515 179.106 176.870 -0.466 0.000 1.083 74 L CA 1.506 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 -1.460 118.563 120.200 -0.295 0.000 2.132 75 E HA 0.103 4.453 4.350 -0.000 0.000 0.193 75 E C 0.271 176.779 176.600 -0.153 0.000 0.951 75 E CA 0.388 56.678 56.400 -0.184 0.000 0.843 75 E CB 0.284 29.916 29.700 -0.113 0.000 0.807 75 E HN 0.307 nan 8.360 nan 0.000 0.467 76 C N 2.215 121.437 119.300 -0.131 0.000 2.563 76 C HA 0.362 4.822 4.460 -0.000 0.000 0.314 76 C C -0.093 174.884 174.990 -0.022 0.000 1.199 76 C CA -1.307 57.671 59.018 -0.067 0.000 1.564 76 C CB 1.446 29.170 27.740 -0.027 0.000 2.173 76 C HN 0.214 nan 8.230 nan 0.000 0.485 77 D N 1.602 122.008 120.400 0.011 0.000 2.419 77 D HA 0.194 4.834 4.640 -0.000 0.000 0.236 77 D C 0.025 176.397 176.300 0.121 0.000 1.165 77 D CA 0.502 54.560 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 2.511 123.837 121.223 0.171 0.000 2.421 78 L HA 0.206 4.546 4.340 -0.000 0.000 0.263 78 L C -1.028 175.887 176.870 0.075 0.000 1.122 78 L CA -1.541 53.373 54.840 0.124 0.000 0.804 78 L CB 0.621 42.762 42.059 0.136 0.000 1.150 78 L HN 0.261 nan 8.230 nan 0.000 0.457 79 P HA -0.082 nan 4.420 nan 0.000 0.217 79 P C 0.634 177.950 177.300 0.027 0.000 1.154 79 P CA 1.032 64.154 63.100 0.036 0.000 0.841 79 P CB 0.187 31.903 31.700 0.028 0.000 0.788 80 E N 0.063 120.273 120.200 0.018 0.000 2.502 80 E HA 0.264 4.614 4.350 -0.000 0.000 0.194 80 E C 0.755 177.350 176.600 -0.008 0.000 1.062 80 E CA -0.143 56.256 56.400 -0.003 0.000 0.867 80 E CB -0.489 29.193 29.700 -0.030 0.000 0.888 80 E HN 0.177 nan 8.360 nan 0.000 0.510 81 A N 1.540 124.367 122.820 0.013 0.000 2.425 81 A HA 0.108 4.428 4.320 -0.000 0.000 0.249 81 A C -0.103 177.518 177.584 0.062 0.000 1.084 81 A CA -0.395 51.651 52.037 0.015 0.000 0.781 81 A CB 0.389 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 0.538 121.001 120.400 0.105 0.000 2.387 82 D HA 0.417 5.057 4.640 -0.000 0.000 0.255 82 D C -0.517 175.881 176.300 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 42.268 40.800 0.221 0.000 1.127 82 D HN 0.423 nan 8.370 nan 0.000 0.513 83 T N 0.800 115.434 114.554 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 1.075 70.006 68.868 0.106 0.000 0.927 83 T HN 0.016 nan 8.240 nan 0.000 0.448 84 V N 3.707 123.724 119.914 0.173 0.000 3.001 84 V HA 0.513 4.633 4.120 -0.000 0.000 0.314 84 V C -0.262 175.940 176.094 0.181 0.000 1.099 84 V CA -0.801 61.563 62.300 0.107 0.000 0.989 84 V CB 2.588 34.487 31.823 0.127 0.000 1.040 84 V HN 0.631 nan 8.190 nan 0.000 0.434 85 V N 3.473 123.469 119.914 0.135 0.000 2.546 85 V HA 0.431 4.551 4.120 -0.000 0.000 0.284 85 V C -0.209 175.961 176.094 0.126 0.000 1.050 85 V CA -0.211 62.181 62.300 0.153 0.000 0.981 85 V CB 1.632 33.516 31.823 0.102 0.000 0.990 85 V HN 0.548 nan 8.190 nan 0.000 0.474 86 V N 7.606 127.529 119.914 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 2.461 33.810 31.823 -0.790 0.000 0.991 86 V HN 0.778 nan 8.190 nan 0.000 0.427 87 P HA 0.615 nan 4.420 nan 0.000 0.282 87 P C -0.899 176.353 177.300 -0.079 0.000 1.259 87 P CA -0.299 62.707 63.100 -0.155 0.000 0.826 87 P CB 1.739 33.349 31.700 -0.149 0.000 1.064 88 S N -0.076 115.595 115.700 -0.048 0.000 2.656 88 S HA 0.382 4.852 4.470 -0.000 0.000 0.265 88 S C -1.487 173.076 174.600 -0.062 0.000 1.110 88 S CA -1.013 57.145 58.200 -0.071 0.000 0.821 88 S CB 0.104 63.258 63.200 -0.076 0.000 1.099 88 S HN 0.358 nan 8.310 nan 0.000 0.471 89 N N 1.034 119.620 118.700 -0.189 0.000 2.417 89 N HA 0.448 5.188 4.740 -0.000 0.000 0.274 89 N C 0.430 175.792 175.510 -0.247 0.000 0.987 89 N CA -0.759 52.155 53.050 -0.227 0.000 0.912 89 N CB 0.760 39.071 38.487 -0.294 0.000 1.177 89 N HN 0.828 nan 8.380 nan 0.000 0.490 90 W N 2.782 123.963 121.300 -0.199 0.000 2.421 90 W HA -0.091 4.569 4.660 -0.000 0.000 0.270 90 W C 0.878 177.372 176.519 -0.042 0.000 1.233 90 W CA 0.913 58.140 57.345 -0.197 0.000 1.226 90 W CB -0.387 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 0.296 120.087 119.800 -0.015 0.000 2.224 91 Q HA -0.105 4.235 4.340 -0.000 0.000 0.203 91 Q C 2.030 178.000 176.000 -0.050 0.000 0.970 91 Q CA 1.600 57.412 55.803 0.016 0.000 0.865 91 Q CB -0.566 28.064 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 0.474 176.773 176.300 -0.001 0.000 1.092 92 M CA 1.264 56.468 55.300 -0.159 0.000 1.087 92 M CB -0.520 31.924 32.600 -0.260 0.000 1.453 92 M HN 0.345 nan 8.290 nan 0.000 0.509 93 H N -1.617 117.488 119.070 0.059 0.000 2.755 93 H HA 0.357 4.913 4.556 -0.000 0.000 0.273 93 H C 1.322 176.541 175.328 -0.180 0.000 1.055 93 H CA 0.192 56.254 56.048 0.023 0.000 1.191 93 H CB 0.731 30.608 29.762 0.191 0.000 1.536 93 H HN 0.492 nan 8.280 nan 0.000 0.529 94 G N 0.466 109.261 108.800 -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 0.529 175.286 174.900 -0.238 0.000 0.990 94 G CA 0.278 45.275 45.100 -0.171 0.000 0.639 94 G HN 0.406 nan 8.290 nan 0.000 0.514 95 Y N 2.152 122.422 120.300 -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 -0.466 0.000 1.155 95 Y CA 1.614 59.510 58.100 -0.340 0.000 1.164 95 Y CB -0.196 37.984 38.460 -0.467 0.000 0.978 95 Y HN 0.634 nan 8.280 nan 0.000 0.513 96 D N -2.312 118.166 120.400 0.130 0.000 2.692 96 D HA 0.549 5.189 4.640 -0.000 0.000 0.303 96 D C -1.190 175.213 176.300 0.171 0.000 1.278 96 D CA -0.818 53.282 54.000 0.166 0.000 0.852 96 D CB 0.806 41.876 40.800 0.450 0.000 1.375 96 D HN 0.038 nan 8.370 nan 0.000 0.453 97 A N -0.245 122.681 122.820 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 0.151 19.282 19.000 0.218 0.000 1.094 97 A HN 0.505 nan 8.150 nan 0.000 0.492 98 P HA 0.464 nan 4.420 nan 0.000 0.278 98 P C -0.872 176.576 177.300 0.247 0.000 1.238 98 P CA 0.061 63.110 63.100 -0.085 0.000 0.794 98 P CB 0.703 32.102 31.700 -0.502 0.000 0.955 99 I N 2.404 123.206 120.570 0.385 0.000 2.441 99 I HA 0.284 4.454 4.170 -0.000 0.000 0.295 99 I C -0.503 175.801 176.117 0.312 0.000 0.994 99 I CA -0.942 60.584 61.300 0.377 0.000 1.144 99 I CB 1.622 39.771 38.000 0.249 0.000 1.314 99 I HN 0.312 nan 8.210 nan 0.000 0.445 100 Y N 5.588 125.853 120.300 -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 -0.259 0.000 1.019 100 Y CA -0.325 57.461 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 3.863 117.901 114.554 -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 -0.846 0.000 1.021 101 T CA -0.506 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 0.866 nan 8.240 nan 0.000 0.467 102 N N 2.096 120.374 118.700 -0.704 0.000 2.335 102 N HA 0.034 4.774 4.740 -0.000 0.000 0.197 102 N C 1.456 176.693 175.510 -0.455 0.000 1.045 102 N CA 0.483 53.233 53.050 -0.500 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 0.488 120.069 119.914 -0.555 0.000 2.436 103 V HA 0.053 4.173 4.120 -0.000 0.000 0.240 103 V C 0.557 176.311 176.094 -0.568 0.000 1.040 103 V CA 0.777 62.654 62.300 -0.706 0.000 1.052 103 V CB -0.061 31.273 31.823 -0.814 0.000 0.707 103 V HN 0.321 nan 8.190 nan 0.000 0.469 104 T N 1.227 115.523 114.554 -0.429 0.000 2.867 104 T HA 0.114 4.464 4.350 -0.000 0.000 0.297 104 T C -0.403 174.145 174.700 -0.252 0.000 0.989 104 T CA 0.327 62.255 62.100 -0.287 0.000 1.159 104 T CB -0.343 68.392 68.868 -0.221 0.000 0.928 104 T HN 0.192 nan 8.240 nan 0.000 0.538 105 Y N 5.204 125.395 120.300 -0.182 0.000 2.597 105 Y HA 0.111 4.661 4.550 -0.000 0.000 0.336 105 Y C -0.874 174.888 175.900 -0.229 0.000 1.216 105 Y CA -1.824 56.156 58.100 -0.200 0.000 1.463 105 Y CB 0.388 38.728 38.460 -0.200 0.000 1.303 105 Y HN 0.546 nan 8.280 nan 0.000 0.576 106 P HA -0.120 nan 4.420 nan 0.000 0.220 106 P C 0.166 177.277 177.300 -0.314 0.000 1.148 106 P CA 1.364 64.354 63.100 -0.183 0.000 0.803 106 P CB 0.148 31.748 31.700 -0.167 0.000 0.782 107 I N -4.403 115.899 120.570 -0.446 0.000 3.205 107 I HA 0.462 4.632 4.170 -0.000 0.000 0.310 107 I C -0.483 175.495 176.117 -0.232 0.000 1.089 107 I CA -1.043 59.983 61.300 -0.457 0.000 1.023 107 I CB 1.267 38.834 38.000 -0.721 0.000 1.269 107 I HN -0.418 nan 8.210 nan 0.000 0.512 108 T N 2.235 116.693 114.554 -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 61.692 62.100 -0.061 0.000 1.124 108 T CB 1.140 70.000 68.868 -0.014 0.000 0.931 108 T HN 0.383 nan 8.240 nan 0.000 0.531 109 V N 4.612 124.524 119.914 -0.003 0.000 2.326 109 V HA 0.221 4.341 4.120 -0.000 0.000 0.249 109 V C 0.656 176.794 176.094 0.074 0.000 1.114 109 V CA -0.173 62.147 62.300 0.033 0.000 1.028 109 V CB -0.674 31.151 31.823 0.003 0.000 1.170 109 V HN 0.810 nan 8.190 nan 0.000 0.494 110 N N 5.405 124.209 118.700 0.174 0.000 2.673 110 N HA 0.276 5.016 4.740 -0.000 0.000 0.265 110 N C -2.973 172.581 175.510 0.074 0.000 1.709 110 N CA -1.455 51.684 53.050 0.149 0.000 0.792 110 N CB 1.461 40.091 38.487 0.240 0.000 1.286 110 N HN 0.250 nan 8.380 nan 0.000 0.506 111 P HA 0.150 nan 4.420 nan 0.000 0.262 111 P C -2.292 174.718 177.300 -0.483 0.000 1.182 111 P CA -0.685 61.951 63.100 -0.772 0.000 0.761 111 P CB 0.435 31.553 31.700 -0.970 0.000 0.795 112 P HA 0.250 nan 4.420 nan 0.000 0.266 112 P C -0.566 176.573 177.300 -0.268 0.000 1.561 112 P CA -0.345 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 0.299 4.826 4.527 -0.000 0.000 0.342 113 F C 1.144 177.114 175.800 0.283 0.000 1.106 113 F CA -0.834 57.283 58.000 0.196 0.000 1.196 113 F CB 0.987 40.053 39.000 0.111 0.000 1.163 113 F HN -0.286 nan 8.300 nan 0.000 0.547 114 V N 3.180 123.383 119.914 0.482 0.000 2.994 114 V HA 0.450 4.570 4.120 -0.000 0.000 0.318 114 V C -1.957 174.322 176.094 0.309 0.000 1.085 114 V CA -1.943 60.567 62.300 0.350 0.000 0.998 114 V CB 2.096 34.221 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 0.702 178.163 177.300 0.267 0.000 1.237 115 P CA 0.020 63.237 63.100 0.195 0.000 0.793 115 P CB 0.650 32.429 31.700 0.132 0.000 0.977 116 T N -1.052 113.622 114.554 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 1.115 63.333 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 2.834 123.152 120.200 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 0.257 0.000 1.092 117 E CA -0.271 56.245 56.400 0.193 0.000 0.862 117 E CB 0.442 30.261 29.700 0.199 0.000 1.066 117 E HN 0.366 nan 8.360 nan 0.000 0.396 118 N N 3.625 122.426 118.700 0.169 0.000 2.577 118 N HA 0.267 5.007 4.740 -0.000 0.000 0.275 118 N C -2.848 172.629 175.510 -0.054 0.000 1.091 118 N CA -2.627 50.520 53.050 0.162 0.000 0.843 118 N CB 1.148 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 -0.651 176.524 177.300 -0.208 0.000 1.141 119 P CA 0.622 63.599 63.100 -0.206 0.000 0.858 119 P CB -0.106 31.749 31.700 0.258 0.000 0.804 120 T N 2.850 117.090 114.554 -0.524 0.000 2.837 120 T HA 0.549 4.899 4.350 -0.000 0.000 0.285 120 T C 0.692 174.954 174.700 -0.731 0.000 0.984 120 T CA -0.394 61.445 62.100 -0.435 0.000 1.049 120 T CB 1.344 69.967 68.868 -0.408 0.000 0.947 120 T HN 0.301 nan 8.240 nan 0.000 0.472 121 G N 1.129 109.617 108.800 -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 -0.487 44.203 45.100 -0.684 0.000 0.973 121 G HN 0.899 nan 8.290 nan 0.000 0.507 122 C N 3.025 121.892 119.300 -0.721 0.000 2.281 122 C HA 0.511 4.971 4.460 -0.000 0.000 0.336 122 C C -0.387 174.471 174.990 -0.220 0.000 1.217 122 C CA -1.036 57.581 59.018 -0.668 0.000 1.730 122 C CB -1.751 24.992 27.740 -1.663 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 40.288 38.460 0.573 0.000 1.230 123 Y HN 0.732 nan 8.280 nan 0.000 0.469 124 S N 1.911 118.117 115.700 0.843 0.000 2.537 124 S HA 0.786 5.256 4.470 -0.000 0.000 0.271 124 S C -1.815 172.868 174.600 0.138 0.000 1.148 124 S CA -0.826 57.665 58.200 0.486 0.000 0.868 124 S CB 1.883 65.306 63.200 0.372 0.000 1.115 124 S HN 0.752 nan 8.310 nan 0.000 0.461 125 L N 0.665 121.811 121.223 -0.129 0.000 2.513 125 L HA 0.780 5.120 4.340 -0.000 0.000 0.261 125 L C -1.445 175.384 176.870 -0.069 0.000 0.945 125 L CA 0.025 54.623 54.840 -0.403 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 5.237 119.771 114.554 -0.033 0.000 2.770 126 T HA 0.748 5.098 4.350 -0.000 0.000 0.283 126 T C -0.914 173.853 174.700 0.112 0.000 0.988 126 T CA -0.078 62.046 62.100 0.040 0.000 0.957 126 T CB 0.377 69.224 68.868 -0.034 0.000 0.930 126 T HN 0.486 nan 8.240 nan 0.000 0.443 127 F N 0.850 120.716 119.950 -0.140 0.000 2.685 127 F HA 0.734 5.261 4.527 -0.000 0.000 0.315 127 F C -0.915 174.826 175.800 -0.100 0.000 1.126 127 F CA -1.514 56.409 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 0.227 nan 8.300 nan 0.000 0.469 128 N N 0.161 118.782 118.700 -0.132 0.000 2.399 128 N HA 0.665 5.405 4.740 -0.000 0.000 0.295 128 N C -1.643 173.789 175.510 -0.129 0.000 1.048 128 N CA -0.579 52.356 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 1.493 121.294 119.914 -0.188 0.000 2.495 129 V HA 0.244 4.364 4.120 -0.000 0.000 0.298 129 V C -0.246 175.714 176.094 -0.224 0.000 1.031 129 V CA -0.951 61.247 62.300 -0.170 0.000 0.871 129 V CB 1.520 33.306 31.823 -0.061 0.000 0.988 129 V HN 0.661 nan 8.190 nan 0.000 0.432 130 D N 3.180 123.336 120.400 -0.407 0.000 2.424 130 D HA -0.013 4.626 4.640 -0.000 0.000 0.244 130 D C 1.300 177.507 176.300 -0.156 0.000 1.134 130 D CA 0.116 53.923 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 2.236 122.391 120.200 -0.076 0.000 2.347 131 E HA -0.195 4.155 4.350 -0.000 0.000 0.196 131 E C 1.358 177.986 176.600 0.047 0.000 1.008 131 E CA 0.777 57.175 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 0.044 0.000 2.370 132 S HA -0.184 4.286 4.470 -0.000 0.000 0.226 132 S C 1.442 176.140 174.600 0.163 0.000 1.033 132 S CA 1.308 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 1.388 122.546 121.300 -0.236 0.000 2.392 133 W HA 0.196 4.856 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 57.163 57.345 -0.448 0.000 1.233 133 W CB -0.800 28.426 29.460 -0.390 0.000 1.122 133 W HN 0.338 nan 8.180 nan 0.000 0.561 134 L N -0.541 120.812 121.223 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 0.873 55.812 54.840 0.165 0.000 0.820 134 L CB -0.254 41.873 42.059 0.112 0.000 0.944 134 L HN -0.000 nan 8.230 nan 0.000 0.452 135 Q N -0.260 119.607 119.800 0.112 0.000 2.008 135 Q HA -0.084 4.256 4.340 -0.000 0.000 0.196 135 Q C 0.841 176.897 176.000 0.094 0.000 0.973 135 Q CA 0.898 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 0.192 nan 8.270 nan 0.000 0.439 136 E N 0.591 120.864 120.200 0.122 0.000 2.235 136 E HA 0.464 4.814 4.350 -0.000 0.000 0.265 136 E C 0.294 176.999 176.600 0.175 0.000 0.940 136 E CA 0.014 56.483 56.400 0.116 0.000 0.819 136 E CB 1.266 31.020 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 -0.947 173.886 174.900 -0.111 0.000 1.341 137 G CA 0.049 45.069 45.100 -0.133 0.000 0.880 137 G HN 0.783 nan 8.290 nan 0.000 0.566 138 Q N -0.398 119.207 119.800 -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 1.893 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 4.964 119.543 114.554 0.040 0.000 2.815 139 T HA 0.483 4.833 4.350 -0.000 0.000 0.289 139 T C -0.716 174.066 174.700 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 3.170 123.727 120.500 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 2.725 123.369 120.570 0.123 0.000 2.460 141 I HA 0.431 4.601 4.170 -0.000 0.000 0.298 141 I C -1.030 175.095 176.117 0.014 0.000 0.989 141 I CA -1.365 59.950 61.300 0.025 0.000 1.173 141 I CB 1.399 39.393 38.000 -0.010 0.000 1.338 141 I HN 0.620 nan 8.210 nan 0.000 0.456 142 I N 7.226 127.701 120.570 -0.158 0.000 2.447 142 I HA 0.284 4.454 4.170 -0.000 0.000 0.287 142 I C -1.254 174.655 176.117 -0.346 0.000 1.023 142 I CA -0.407 60.816 61.300 -0.129 0.000 1.083 142 I CB 1.552 39.513 38.000 -0.064 0.000 1.245 142 I HN 0.369 nan 8.210 nan 0.000 0.434 143 F N 4.520 124.480 119.950 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 57.448 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 1.003 177.157 176.300 -0.243 0.000 0.971 144 D CA 1.058 54.960 54.000 -0.163 0.000 0.867 144 D CB 0.285 40.946 40.800 -0.232 0.000 0.929 144 D HN 0.649 nan 8.370 nan 0.000 0.492 145 G N -0.881 107.705 108.800 -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 -0.570 0.000 1.104 145 G HN -0.051 nan 8.290 nan 0.000 0.587 146 V N 2.385 122.154 119.914 -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 -1.165 61.030 62.300 -0.176 0.000 0.886 146 V CB 1.949 33.399 31.823 -0.623 0.000 1.007 146 V HN 0.756 nan 8.190 nan 0.000 0.426 147 N N 2.352 121.143 118.700 0.152 0.000 2.372 147 N HA 0.366 5.106 4.740 -0.000 0.000 0.285 147 N C 0.621 176.082 175.510 -0.083 0.000 1.008 147 N CA 0.188 53.258 53.050 0.034 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 2.056 117.737 115.700 -0.033 0.000 2.505 148 S HA 0.540 5.010 4.470 -0.000 0.000 0.216 148 S C 0.322 174.987 174.600 0.108 0.000 1.018 148 S CA 0.218 58.450 58.200 0.052 0.000 0.911 148 S CB 0.240 63.487 63.200 0.079 0.000 0.818 148 S HN 0.696 nan 8.310 nan 0.000 0.497 149 A N 0.723 123.620 122.820 0.129 0.000 2.606 149 A HA 0.796 5.115 4.320 -0.000 0.000 0.293 149 A C -1.268 176.460 177.584 0.239 0.000 1.082 149 A CA -0.934 51.166 52.037 0.105 0.000 0.685 149 A CB 0.940 20.020 19.000 0.134 0.000 1.284 149 A HN 1.189 nan 8.150 nan 0.000 0.408 150 F N -0.664 119.164 119.950 -0.203 0.000 2.725 150 F HA 0.695 5.222 4.527 -0.000 0.000 0.309 150 F C -1.364 174.441 175.800 0.009 0.000 1.132 150 F CA -0.777 57.192 58.000 -0.052 0.000 0.957 150 F CB 1.015 39.954 39.000 -0.101 0.000 1.286 150 F HN 0.643 nan 8.300 nan 0.000 0.440 151 H N 2.030 121.296 119.070 0.326 0.000 2.499 151 H HA 0.773 5.329 4.556 -0.000 0.000 0.340 151 H C -1.421 173.975 175.328 0.113 0.000 1.148 151 H CA -0.719 55.440 56.048 0.184 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 -0.172 0.000 2.408 152 L HA 0.413 4.753 4.340 -0.000 0.000 0.268 152 L C -1.738 174.877 176.870 -0.425 0.000 0.986 152 L CA -0.529 54.243 54.840 -0.114 0.000 0.820 152 L CB 1.729 43.588 42.059 -0.332 0.000 1.303 152 L HN 0.513 nan 8.230 nan 0.000 0.411 153 W N 4.190 125.464 121.300 -0.043 0.000 2.761 153 W HA 0.625 5.285 4.660 -0.000 0.000 0.340 153 W C -1.138 175.314 176.519 -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 4.829 124.200 119.300 0.119 0.000 2.397 154 C HA 0.298 4.758 4.460 -0.000 0.000 0.325 154 C C 0.162 175.253 174.990 0.168 0.000 1.201 154 C CA -0.389 58.683 59.018 0.091 0.000 1.377 154 C CB -0.495 27.221 27.740 -0.039 0.000 2.038 154 C HN 0.808 nan 8.230 nan 0.000 0.457 155 N N 3.711 122.480 118.700 0.115 0.000 2.727 155 N HA -0.187 4.553 4.740 -0.000 0.000 0.249 155 N C 0.985 176.554 175.510 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 -1.276 107.572 108.800 0.080 0.000 2.225 156 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.254 156 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.254 156 G C 0.174 175.243 174.900 0.281 0.000 0.988 156 G CA 0.550 45.691 45.100 0.069 0.000 0.625 156 G HN 0.550 nan 8.290 nan 0.000 0.527 157 R N -0.707 120.019 120.500 0.377 0.000 2.312 157 R HA 0.415 4.755 4.340 -0.000 0.000 0.311 157 R C -0.150 176.430 176.300 0.467 0.000 1.004 157 R CA -0.858 55.536 56.100 0.490 0.000 0.902 157 R CB 0.748 31.372 30.300 0.540 0.000 1.073 157 R HN 0.250 nan 8.270 nan 0.000 0.457 158 W N 4.189 125.621 121.300 0.220 0.000 2.308 158 W HA 0.055 4.715 4.660 -0.000 0.000 0.324 158 W C 0.025 176.386 176.519 -0.263 0.000 1.387 158 W CA 0.064 57.165 57.345 -0.406 0.000 1.250 158 W CB 0.616 29.849 29.460 -0.379 0.000 1.257 158 W HN 0.354 nan 8.180 nan 0.000 0.554 159 V N 5.521 124.580 119.914 -1.425 0.000 2.806 159 V HA 0.542 4.662 4.120 -0.000 0.000 0.239 159 V C 1.082 176.202 176.094 -1.623 0.000 1.113 159 V CA 0.974 62.491 62.300 -1.304 0.000 1.137 159 V CB -0.362 30.764 31.823 -1.163 0.000 0.865 159 V HN 0.801 nan 8.190 nan 0.000 0.482 160 G N -1.675 105.945 108.800 -1.967 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 -2.461 172.158 174.900 -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 -0.541 119.648 120.300 -0.186 0.000 2.562 161 Y HA 0.727 5.277 4.550 -0.000 0.000 0.345 161 Y C -0.075 175.650 175.900 -0.292 0.000 1.045 161 Y CA -0.144 57.760 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 3.506 111.476 108.800 -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 -0.901 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 -0.030 119.552 119.800 -0.363 0.000 2.496 163 Q HA 0.607 4.947 4.340 -0.000 0.000 0.286 163 Q C -1.330 174.658 176.000 -0.020 0.000 1.103 163 Q CA -0.882 54.832 55.803 -0.148 0.000 0.813 163 Q CB 2.735 31.431 28.738 -0.070 0.000 1.444 163 Q HN 0.637 nan 8.270 nan 0.000 0.443 164 D N -0.075 120.355 120.400 0.049 0.000 4.370 164 D HA -0.097 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 -0.681 40.150 40.800 0.051 0.000 0.749 164 D HN 0.569 nan 8.370 nan 0.000 0.351 165 S N 3.108 118.881 115.700 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 0.999 59.300 58.200 0.169 0.000 0.951 165 S CB 0.025 63.315 63.200 0.151 0.000 0.759 165 S HN 0.642 nan 8.310 nan 0.000 0.523 166 R N 0.288 120.873 120.500 0.142 0.000 2.334 166 R HA 0.397 4.737 4.340 -0.000 0.000 0.212 166 R C 0.139 176.499 176.300 0.099 0.000 0.897 166 R CA 0.069 56.255 56.100 0.143 0.000 1.056 166 R CB -0.203 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 1.916 123.172 121.223 0.056 0.000 2.333 167 L HA 0.501 4.841 4.340 -0.000 0.000 0.263 167 L C -2.433 174.426 176.870 -0.020 0.000 1.014 167 L CA -2.695 52.152 54.840 0.011 0.000 0.820 167 L CB 2.446 44.502 42.059 -0.004 0.000 1.352 167 L HN -0.210 nan 8.230 nan 0.000 0.421 168 P HA 0.055 nan 4.420 nan 0.000 0.265 168 P C -1.057 176.227 177.300 -0.027 0.000 1.193 168 P CA -0.044 63.027 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 -0.350 174.261 174.600 0.018 0.000 1.096 169 S CA -0.641 57.578 58.200 0.033 0.000 1.095 169 S CB 0.918 64.243 63.200 0.209 0.000 1.007 169 S HN 0.371 nan 8.310 nan 0.000 0.474 170 E N 1.912 121.938 120.200 -0.291 0.000 2.238 170 E HA 0.615 4.965 4.350 -0.000 0.000 0.267 170 E C -1.459 174.878 176.600 -0.438 0.000 0.887 170 E CA -0.629 55.674 56.400 -0.161 0.000 0.769 170 E CB 1.619 31.310 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 -0.071 175.758 175.800 0.049 0.000 1.082 171 F CA -1.254 56.776 58.000 0.050 0.000 0.929 171 F CB 1.185 40.184 39.000 -0.002 0.000 1.254 171 F HN 0.234 nan 8.300 nan 0.000 0.455 172 D N 2.212 122.771 120.400 0.264 0.000 2.339 172 D HA 0.232 4.872 4.640 -0.000 0.000 0.256 172 D C 0.467 176.909 176.300 0.236 0.000 1.214 172 D CA 0.390 54.513 54.000 0.204 0.000 0.877 172 D CB 0.978 41.888 40.800 0.182 0.000 1.111 172 D HN 0.596 nan 8.370 nan 0.000 0.478 173 L N 2.533 123.894 121.223 0.229 0.000 2.554 173 L HA -0.038 4.302 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 -0.084 54.925 54.840 0.282 0.000 0.866 173 L CB -0.001 42.188 42.059 0.218 0.000 1.047 173 L HN 0.321 nan 8.230 nan 0.000 0.468 174 S N 1.271 117.146 115.700 0.291 0.000 2.461 174 S HA -0.366 4.104 4.470 -0.000 0.000 0.266 174 S C 1.780 176.491 174.600 0.185 0.000 1.138 174 S CA 2.134 60.465 58.200 0.217 0.000 1.146 174 S CB -0.323 62.963 63.200 0.144 0.000 1.042 174 S HN 0.584 nan 8.310 nan 0.000 0.448 175 A N -0.934 121.989 122.820 0.171 0.000 2.307 175 A HA 0.455 4.775 4.320 -0.000 0.000 0.218 175 A C 0.930 178.390 177.584 -0.207 0.000 1.228 175 A CA 0.031 52.029 52.037 -0.065 0.000 0.857 175 A CB -0.274 18.565 19.000 -0.269 0.000 0.897 175 A HN 0.473 nan 8.150 nan 0.000 0.495 176 F N -1.042 118.949 119.950 0.068 0.000 2.746 176 F HA 0.370 4.897 4.527 -0.000 0.000 0.313 176 F C 0.508 176.342 175.800 0.056 0.000 1.095 176 F CA -0.655 57.381 58.000 0.061 0.000 1.224 176 F CB -0.014 39.025 39.000 0.065 0.000 1.060 176 F HN -0.057 nan 8.300 nan 0.000 0.584 177 L N 1.982 123.367 121.223 0.270 0.000 2.397 177 L HA 0.344 4.684 4.340 -0.000 0.000 0.271 177 L C 0.415 177.334 176.870 0.082 0.000 1.148 177 L CA -0.064 54.875 54.840 0.165 0.000 0.825 177 L CB 0.728 42.906 42.059 0.197 0.000 1.117 177 L HN 0.033 nan 8.230 nan 0.000 0.456 178 R N 1.459 121.970 120.500 0.018 0.000 2.787 178 R HA 0.681 5.021 4.340 -0.000 0.000 0.271 178 R C -0.543 175.734 176.300 -0.039 0.000 0.993 178 R CA -0.890 55.201 56.100 -0.015 0.000 0.993 178 R CB 1.797 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 0.793 123.592 122.820 -0.035 0.000 2.388 179 A HA 0.562 4.882 4.320 -0.000 0.000 0.257 179 A C 0.832 178.365 177.584 -0.085 0.000 1.095 179 A CA 0.704 52.712 52.037 -0.049 0.000 0.791 179 A CB 0.128 19.109 19.000 -0.032 0.000 1.029 179 A HN 0.870 nan 8.150 nan 0.000 0.489 180 G N 1.044 109.779 108.800 -0.108 0.000 2.536 180 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.277 180 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.277 180 G C 0.082 174.858 174.900 -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 -0.084 176.323 176.600 -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 29.714 29.700 -0.164 0.000 1.017 181 E HN 0.368 nan 8.360 nan 0.000 0.431 182 N N 2.791 121.144 118.700 -0.580 0.000 2.328 182 N HA 0.396 5.136 4.740 -0.000 0.000 0.299 182 N C -0.791 174.436 175.510 -0.472 0.000 1.179 182 N CA -0.629 52.059 53.050 -0.604 0.000 0.793 182 N CB 2.183 40.086 38.487 -0.973 0.000 1.366 182 N HN 0.285 nan 8.380 nan 0.000 0.493 183 R N 1.540 121.944 120.500 -0.160 0.000 2.532 183 R HA 0.444 4.784 4.340 -0.000 0.000 0.297 183 R C -1.177 175.202 176.300 0.132 0.000 0.984 183 R CA -0.508 55.599 56.100 0.011 0.000 0.884 183 R CB 1.087 31.353 30.300 -0.055 0.000 1.182 183 R HN 0.489 nan 8.270 nan 0.000 0.442 184 L N 2.989 124.346 121.223 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 -0.700 54.263 54.840 0.205 0.000 0.804 184 L CB 1.809 43.995 42.059 0.211 0.000 1.197 184 L HN 0.677 nan 8.230 nan 0.000 0.431 185 A N 3.676 126.590 122.820 0.156 0.000 2.375 185 A HA 0.670 4.990 4.320 -0.000 0.000 0.291 185 A C -0.884 177.023 177.584 0.539 0.000 1.160 185 A CA -0.441 51.629 52.037 0.055 0.000 0.747 185 A CB 1.240 19.672 19.000 -0.947 0.000 1.170 185 A HN 0.380 nan 8.150 nan 0.000 0.458 186 V N 3.533 123.929 119.914 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 62.504 62.300 0.746 0.000 0.847 186 V CB 1.204 33.309 31.823 0.471 0.000 0.990 186 V HN 0.944 nan 8.190 nan 0.000 0.444 187 M N 6.438 126.524 119.600 0.809 0.000 2.061 187 M HA 0.554 5.034 4.480 -0.000 0.000 0.346 187 M C -1.284 175.251 176.300 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 34.064 32.600 0.548 0.000 1.530 187 M HN 0.455 nan 8.290 nan 0.000 0.437 188 V N 6.769 126.871 119.914 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 1.180 33.223 31.823 0.367 0.000 0.983 188 V HN 0.791 nan 8.190 nan 0.000 0.460 189 L N 3.751 125.060 121.223 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 -0.727 54.122 54.840 0.015 0.000 0.807 189 L CB 1.317 43.267 42.059 -0.183 0.000 1.231 189 L HN 0.539 nan 8.230 nan 0.000 0.438 190 R N 1.638 122.023 120.500 -0.191 0.000 2.055 190 R HA 0.025 4.364 4.340 -0.000 0.000 0.228 190 R C -0.283 175.676 176.300 -0.567 0.000 1.143 190 R CA 1.408 57.136 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 0.551 121.902 121.300 0.084 0.000 2.496 191 W HA 0.328 4.988 4.660 -0.000 0.000 0.327 191 W C -0.061 176.568 176.519 0.183 0.000 1.086 191 W CA -0.846 56.560 57.345 0.103 0.000 1.222 191 W CB 1.462 30.987 29.460 0.110 0.000 1.304 191 W HN 0.046 nan 8.180 nan 0.000 0.547 192 S N -0.901 115.086 115.700 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 57.948 58.200 0.488 0.000 0.818 192 S CB 1.296 64.748 63.200 0.419 0.000 1.157 192 S HN 0.620 nan 8.310 nan 0.000 0.482 193 D N 0.557 121.206 120.400 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 -0.799 40.148 40.800 0.246 0.000 0.939 193 D HN 0.699 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 0.840 46.122 45.100 0.303 0.000 0.758 194 G HN 0.324 nan 8.290 nan 0.000 0.559 195 S N -0.143 115.717 115.700 0.267 0.000 2.399 195 S HA -0.103 4.367 4.470 -0.000 0.000 0.231 195 S C 1.901 176.587 174.600 0.142 0.000 1.022 195 S CA 0.765 59.084 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 1.019 121.422 120.300 0.172 0.000 2.483 196 Y HA 0.072 4.622 4.550 -0.000 0.000 0.291 196 Y C 1.502 177.498 175.900 0.160 0.000 1.143 196 Y CA 0.606 58.737 58.100 0.051 0.000 1.289 196 Y CB -0.165 38.204 38.460 -0.151 0.000 0.983 196 Y HN 0.194 nan 8.280 nan 0.000 0.556 197 L N -0.205 121.201 121.223 0.305 0.000 2.769 197 L HA 0.149 4.489 4.340 -0.000 0.000 0.240 197 L C 0.036 177.039 176.870 0.222 0.000 1.163 197 L CA 0.346 55.323 54.840 0.228 0.000 0.962 197 L CB 0.122 42.314 42.059 0.221 0.000 1.258 197 L HN 0.157 nan 8.230 nan 0.000 0.513 198 E N -0.298 120.048 120.200 0.244 0.000 3.646 198 E HA 0.041 4.391 4.350 -0.000 0.000 0.211 198 E C -0.454 176.252 176.600 0.176 0.000 1.034 198 E CA -0.071 56.457 56.400 0.213 0.000 1.341 198 E CB 0.529 30.348 29.700 0.199 0.000 1.202 198 E HN 0.029 nan 8.360 nan 0.000 0.447 199 D N 1.345 121.812 120.400 0.112 0.000 2.519 199 D HA 0.014 4.654 4.640 -0.000 0.000 0.238 199 D C -0.173 176.118 176.300 -0.015 0.000 1.192 199 D CA -0.003 53.950 54.000 -0.078 0.000 0.835 199 D CB 0.088 40.602 40.800 -0.477 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 -0.086 176.022 176.000 0.181 0.000 1.013 200 Q CA 0.036 55.985 55.803 0.244 0.000 0.895 200 Q CB 0.544 29.569 28.738 0.479 0.000 1.271 200 Q HN 0.042 nan 8.270 nan 0.000 0.460 201 D N 2.707 123.243 120.400 0.227 0.000 2.441 201 D HA 0.194 4.834 4.640 -0.000 0.000 0.243 201 D C -0.815 175.635 176.300 0.250 0.000 1.257 201 D CA 0.155 54.255 54.000 0.167 0.000 1.027 201 D CB -0.401 40.519 40.800 0.200 0.000 1.084 201 D HN 0.485 nan 8.370 nan 0.000 0.514 202 M N 0.426 120.124 119.600 0.163 0.000 3.084 202 M HA 0.403 4.883 4.480 -0.000 0.000 0.273 202 M C -1.263 175.140 176.300 0.171 0.000 1.242 202 M CA -1.208 54.157 55.300 0.108 0.000 0.819 202 M CB 1.063 33.655 32.600 -0.012 0.000 1.625 202 M HN -0.076 nan 8.290 nan 0.000 0.493 203 W N 1.936 123.332 121.300 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 57.314 57.345 0.124 0.000 1.227 203 W CB 0.441 29.919 29.460 0.030 0.000 1.178 203 W HN 0.264 nan 8.180 nan 0.000 0.560 204 R N 4.830 125.500 120.500 0.283 0.000 2.205 204 R HA 0.393 4.733 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 0.097 30.545 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 -0.118 175.869 176.300 -0.523 0.000 1.155 205 M CA -0.747 54.357 55.300 -0.326 0.000 0.781 205 M CB 2.221 34.619 32.600 -0.337 0.000 1.741 205 M HN 0.625 nan 8.290 nan 0.000 0.473 206 S N -1.261 113.999 115.700 -0.734 0.000 2.611 206 S HA 0.934 5.404 4.470 -0.000 0.000 0.268 206 S C -0.578 173.567 174.600 -0.758 0.000 1.156 206 S CA -0.272 57.398 58.200 -0.884 0.000 0.817 206 S CB 1.656 64.136 63.200 -1.200 0.000 1.122 206 S HN 1.420 nan 8.310 nan 0.000 0.466 207 G N 0.065 108.626 108.800 -0.398 0.000 2.362 207 G HA2 0.128 4.088 3.960 -0.000 0.000 0.517 207 G HA3 0.128 4.088 3.960 -0.000 0.000 0.517 207 G C -1.400 173.487 174.900 -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 2.067 122.501 120.570 -0.226 0.000 2.316 208 I HA 0.290 4.460 4.170 -0.000 0.000 0.286 208 I C 1.132 177.117 176.117 -0.219 0.000 1.107 208 I CA -0.284 60.781 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 4.098 123.912 119.950 -0.226 0.000 2.765 209 F HA 0.411 4.938 4.527 -0.000 0.000 0.302 209 F C 0.698 176.435 175.800 -0.105 0.000 1.111 209 F CA -0.460 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 0.564 120.657 120.500 -0.678 0.000 2.888 210 R HA 0.238 4.578 4.340 -0.000 0.000 0.264 210 R C -1.038 175.096 176.300 -0.277 0.000 1.045 210 R CA -1.149 54.704 56.100 -0.411 0.000 0.962 210 R CB 0.502 30.535 30.300 -0.445 0.000 1.210 210 R HN -0.031 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 0.071 4.711 4.640 -0.000 0.000 0.229 211 D C -0.306 175.899 176.300 -0.158 0.000 1.159 211 D CA 0.535 54.463 54.000 -0.120 0.000 0.869 211 D CB 0.373 41.139 40.800 -0.057 0.000 1.203 211 D HN 0.062 nan 8.370 nan 0.000 0.478 212 V N 1.174 121.006 119.914 -0.137 0.000 2.487 212 V HA 0.601 4.721 4.120 -0.000 0.000 0.298 212 V C 0.009 176.016 176.094 -0.144 0.000 1.028 212 V CA -0.517 61.658 62.300 -0.208 0.000 0.860 212 V CB 1.796 33.517 31.823 -0.168 0.000 0.991 212 V HN 0.571 nan 8.190 nan 0.000 0.427 213 S N 4.196 119.773 115.700 -0.204 0.000 2.651 213 S HA 0.802 5.272 4.470 -0.000 0.000 0.279 213 S C -1.184 173.368 174.600 -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 -1.516 175.463 176.870 0.181 0.000 0.993 214 L CA -0.750 54.175 54.840 0.143 0.000 0.819 214 L CB 1.812 44.056 42.059 0.309 0.000 1.294 214 L HN 0.503 nan 8.230 nan 0.000 0.414 215 L N 2.297 123.578 121.223 0.097 0.000 2.410 215 L HA 0.503 4.843 4.340 -0.000 0.000 0.270 215 L C -1.091 175.665 176.870 -0.191 0.000 0.983 215 L CA -0.264 54.560 54.840 -0.027 0.000 0.822 215 L CB 1.732 43.786 42.059 -0.008 0.000 1.285 215 L HN 0.495 nan 8.230 nan 0.000 0.409 216 H N 3.905 122.635 119.070 -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 55.368 56.048 -0.822 0.000 1.232 216 H CB 0.945 29.622 29.762 -1.808 0.000 1.406 216 H HN 0.624 nan 8.280 nan 0.000 0.469 217 K N 5.450 125.362 120.400 -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 0.193 177.363 177.300 -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 -2.604 111.862 114.554 -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 68.018 68.868 -0.071 0.000 0.874 219 T HN 0.318 nan 8.240 nan 0.000 0.466 220 T N 3.405 117.890 114.554 -0.115 0.000 2.853 220 T HA 0.437 4.787 4.350 -0.000 0.000 0.317 220 T C -0.280 174.335 174.700 -0.142 0.000 1.059 220 T CA -0.794 61.229 62.100 -0.128 0.000 0.954 220 T CB 0.670 69.473 68.868 -0.108 0.000 0.994 220 T HN 0.583 nan 8.240 nan 0.000 0.479 221 Q N 2.510 122.209 119.800 -0.168 0.000 2.605 221 Q HA 0.626 4.966 4.340 -0.000 0.000 0.296 221 Q C -0.959 174.931 176.000 -0.183 0.000 1.056 221 Q CA -1.228 54.461 55.803 -0.191 0.000 0.778 221 Q CB 1.494 30.081 28.738 -0.251 0.000 1.497 221 Q HN 0.413 nan 8.270 nan 0.000 0.443 222 I N 2.560 122.997 120.570 -0.222 0.000 2.436 222 I HA -0.001 4.169 4.170 -0.000 0.000 0.289 222 I C 0.679 176.627 176.117 -0.280 0.000 1.083 222 I CA 0.054 61.241 61.300 -0.189 0.000 1.372 222 I CB 0.997 38.851 38.000 -0.243 0.000 1.408 222 I HN 0.830 nan 8.210 nan 0.000 0.516 223 S N 2.842 118.497 115.700 -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 0.316 0.000 1.009 223 S CA -0.254 57.962 58.200 0.026 0.000 0.908 223 S CB 0.317 63.526 63.200 0.015 0.000 0.801 223 S HN 0.713 nan 8.310 nan 0.000 0.505 224 D N -0.333 120.262 120.400 0.325 0.000 2.720 224 D HA 0.503 5.143 4.640 -0.000 0.000 0.239 224 D C -1.833 174.676 176.300 0.349 0.000 1.218 224 D CA -0.734 53.503 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 0.219 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 -1.639 174.214 175.800 0.088 0.000 1.112 225 F CA -0.737 57.234 58.000 -0.049 0.000 0.972 225 F CB 1.312 40.341 39.000 0.047 0.000 1.295 225 F HN 0.304 nan 8.300 nan 0.000 0.440 226 H N 1.522 120.586 119.070 -0.009 0.000 2.768 226 H HA 0.783 5.339 4.556 -0.000 0.000 0.371 226 H C -1.427 173.888 175.328 -0.023 0.000 1.151 226 H CA -1.539 54.438 56.048 -0.118 0.000 1.165 226 H CB 2.748 32.463 29.762 -0.078 0.000 1.722 226 H HN 0.652 nan 8.280 nan 0.000 0.543 227 V N 1.326 121.285 119.914 0.075 0.000 2.715 227 V HA 0.808 4.928 4.120 -0.000 0.000 0.310 227 V C -0.713 175.360 176.094 -0.036 0.000 1.054 227 V CA -0.439 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 2.428 125.208 122.820 -0.067 0.000 2.520 228 A HA 0.840 5.160 4.320 -0.000 0.000 0.298 228 A C -0.486 177.011 177.584 -0.145 0.000 1.051 228 A CA -0.337 51.649 52.037 -0.085 0.000 0.690 228 A CB 2.082 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 69.830 68.868 -0.316 0.000 0.939 229 T HN 0.694 nan 8.240 nan 0.000 0.439 230 R N 1.785 122.047 120.500 -0.396 0.000 2.711 230 R HA 0.773 5.113 4.340 -0.000 0.000 0.284 230 R C -1.180 174.752 176.300 -0.612 0.000 0.968 230 R CA -0.730 55.196 56.100 -0.290 0.000 0.924 230 R CB 1.558 31.785 30.300 -0.121 0.000 1.162 230 R HN 0.561 nan 8.270 nan 0.000 0.465 231 F N 0.230 120.186 119.950 0.011 0.000 2.631 231 F HA 0.387 4.914 4.527 -0.000 0.000 0.328 231 F C 0.417 176.109 175.800 -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 39.826 39.000 -0.178 0.000 1.332 231 F HN 0.510 nan 8.300 nan 0.000 0.490 232 N N -0.022 118.680 118.700 0.003 0.000 2.405 232 N HA 0.087 4.827 4.740 -0.000 0.000 0.269 232 N C 0.587 175.954 175.510 -0.238 0.000 1.249 232 N CA -0.174 52.826 53.050 -0.083 0.000 0.974 232 N CB 0.082 38.542 38.487 -0.045 0.000 1.204 232 N HN 0.706 nan 8.380 nan 0.000 0.565 233 D N -0.626 119.675 120.400 -0.166 0.000 2.170 233 D HA -0.288 4.352 4.640 -0.000 0.000 0.193 233 D C 0.388 176.553 176.300 -0.226 0.000 1.004 233 D CA 2.071 55.968 54.000 -0.171 0.000 0.860 233 D CB -0.510 40.251 40.800 -0.065 0.000 0.931 233 D HN 0.761 nan 8.370 nan 0.000 0.448 234 D N -1.820 118.493 120.400 -0.145 0.000 2.431 234 D HA 0.010 4.650 4.640 -0.000 0.000 0.213 234 D C 0.394 176.800 176.300 0.175 0.000 1.130 234 D CA -0.708 53.311 54.000 0.032 0.000 0.834 234 D CB -1.007 39.839 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 -2.391 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 -0.730 115.082 115.700 0.186 0.000 2.527 236 S HA 0.161 4.631 4.470 -0.000 0.000 0.222 236 S C 0.656 175.308 174.600 0.086 0.000 0.985 236 S CA 0.527 58.801 58.200 0.124 0.000 0.921 236 S CB 0.407 63.653 63.200 0.077 0.000 0.772 236 S HN 0.526 nan 8.310 nan 0.000 0.529 237 R N -0.152 120.407 120.500 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 32.106 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 -0.272 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 -0.178 0.000 2.525 239 V HA 0.430 4.550 4.120 -0.000 0.000 0.299 239 V C -0.937 175.108 176.094 -0.083 0.000 1.034 239 V CA -0.367 61.873 62.300 -0.100 0.000 0.863 239 V CB 1.327 33.089 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 1.256 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 -0.838 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 -0.853 176.735 177.584 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 -1.648 174.906 176.600 -0.078 0.000 0.893 243 E CA -0.518 55.844 56.400 -0.063 0.000 0.761 243 E CB 1.662 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 4.128 124.010 119.914 -0.053 0.000 2.604 244 V HA 0.374 4.494 4.120 -0.000 0.000 0.305 244 V C -0.524 175.615 176.094 0.075 0.000 1.043 244 V CA -0.787 61.522 62.300 0.016 0.000 0.888 244 V CB 1.682 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 4.012 123.873 119.800 0.101 0.000 2.377 245 Q HA 0.842 5.182 4.340 -0.000 0.000 0.271 245 Q C -0.878 175.190 176.000 0.113 0.000 1.077 245 Q CA -0.880 54.996 55.803 0.121 0.000 0.820 245 Q CB 2.849 31.590 28.738 0.006 0.000 1.347 245 Q HN 0.842 nan 8.270 nan 0.000 0.444 246 M N -0.988 118.616 119.600 0.008 0.000 2.662 246 M HA 0.768 5.248 4.480 -0.000 0.000 0.310 246 M C -1.341 174.853 176.300 -0.176 0.000 1.204 246 M CA -0.463 54.744 55.300 -0.156 0.000 0.891 246 M CB 2.069 34.393 32.600 -0.460 0.000 1.732 246 M HN 0.556 nan 8.290 nan 0.000 0.467 247 C N 1.574 120.775 119.300 -0.166 0.000 2.561 247 C HA 1.016 5.476 4.460 -0.000 0.000 0.319 247 C C 0.657 175.551 174.990 -0.161 0.000 1.198 247 C CA 0.927 59.864 59.018 -0.135 0.000 1.665 247 C CB 0.875 28.556 27.740 -0.098 0.000 2.258 247 C HN 1.322 nan 8.230 nan 0.000 0.493 248 G N 3.468 112.187 108.800 -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 -1.173 173.646 174.900 -0.136 0.000 1.243 248 G CA -0.117 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 0.604 120.728 120.200 -0.128 0.000 2.001 249 E HA 0.624 4.974 4.350 -0.000 0.000 0.279 249 E C 0.142 176.638 176.600 -0.173 0.000 1.045 249 E CA -0.782 55.547 56.400 -0.119 0.000 0.833 249 E CB 1.098 30.755 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 0.278 4.618 4.340 -0.000 0.000 0.274 250 L C -0.037 176.713 176.870 -0.200 0.000 1.135 250 L CA 0.021 54.719 54.840 -0.236 0.000 0.870 250 L CB 0.209 42.145 42.059 -0.205 0.000 1.154 250 L HN 0.491 nan 8.230 nan 0.000 0.462 251 R N 2.776 123.097 120.500 -0.298 0.000 2.725 251 R HA 0.164 4.504 4.340 -0.000 0.000 0.277 251 R C 0.098 176.164 176.300 -0.390 0.000 0.987 251 R CA -0.656 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 1.269 121.556 120.400 -0.188 0.000 2.378 252 D HA -0.160 4.480 4.640 -0.000 0.000 0.222 252 D C 1.022 177.296 176.300 -0.043 0.000 0.980 252 D CA 1.199 55.157 54.000 -0.069 0.000 0.907 252 D CB -0.012 40.803 40.800 0.024 0.000 0.899 252 D HN 0.679 nan 8.370 nan 0.000 0.527 253 Y N -0.149 120.161 120.300 0.016 0.000 2.466 253 Y HA 0.355 4.905 4.550 -0.000 0.000 0.272 253 Y C 1.027 176.932 175.900 0.008 0.000 1.169 253 Y CA -0.874 57.235 58.100 0.015 0.000 1.285 253 Y CB -0.474 37.995 38.460 0.015 0.000 1.078 253 Y HN -0.230 nan 8.280 nan 0.000 0.523 254 L N 2.893 123.926 121.223 -0.317 0.000 2.461 254 L HA 0.283 4.623 4.340 -0.000 0.000 0.272 254 L C 0.255 177.073 176.870 -0.086 0.000 1.197 254 L CA 0.073 54.821 54.840 -0.155 0.000 0.836 254 L CB 0.433 42.431 42.059 -0.103 0.000 1.105 254 L HN 0.236 nan 8.230 nan 0.000 0.477 255 R N 1.933 122.289 120.500 -0.240 0.000 2.799 255 R HA 0.736 5.076 4.340 -0.000 0.000 0.270 255 R C -1.532 174.445 176.300 -0.538 0.000 1.010 255 R CA -0.823 55.020 56.100 -0.428 0.000 0.916 255 R CB 2.304 32.276 30.300 -0.548 0.000 1.228 255 R HN 0.286 nan 8.270 nan 0.000 0.469 256 V N 0.758 120.421 119.914 -0.418 0.000 2.709 256 V HA 0.522 4.642 4.120 -0.000 0.000 0.308 256 V C -0.535 175.505 176.094 -0.090 0.000 1.062 256 V CA -0.571 61.564 62.300 -0.274 0.000 0.901 256 V CB 2.432 34.021 31.823 -0.390 0.000 1.003 256 V HN 0.770 nan 8.190 nan 0.000 0.425 257 T N 3.512 118.099 114.554 0.055 0.000 2.861 257 T HA 0.689 5.039 4.350 -0.000 0.000 0.287 257 T C -0.907 173.802 174.700 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 -0.423 175.661 176.094 -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 -0.030 0.000 0.995 258 V HN 1.069 nan 8.190 nan 0.000 0.424 259 S N 5.098 120.807 115.700 0.016 0.000 2.536 259 S HA 0.864 5.334 4.470 -0.000 0.000 0.287 259 S C -1.091 173.492 174.600 -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 65.563 63.200 -0.010 0.000 1.056 259 S HN 0.537 nan 8.310 nan 0.000 0.481 260 L N 2.080 123.179 121.223 -0.207 0.000 2.356 260 L HA 0.779 5.119 4.340 -0.000 0.000 0.277 260 L C -2.031 174.717 176.870 -0.202 0.000 0.996 260 L CA -0.305 54.510 54.840 -0.042 0.000 0.822 260 L CB 0.844 42.899 42.059 -0.006 0.000 1.256 260 L HN 0.877 nan 8.230 nan 0.000 0.413 261 W N 3.195 124.597 121.300 0.170 0.000 2.736 261 W HA 0.569 5.229 4.660 -0.000 0.000 0.335 261 W C -0.520 176.115 176.519 0.193 0.000 1.059 261 W CA -0.536 56.899 57.345 0.149 0.000 1.226 261 W CB 1.587 31.088 29.460 0.067 0.000 1.416 261 W HN 0.460 nan 8.180 nan 0.000 0.505 262 Q N 2.478 122.497 119.800 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 0.199 28.937 28.738 -0.001 0.000 1.151 262 Q HN 0.747 nan 8.270 nan 0.000 0.531 263 G N 2.431 111.298 108.800 0.111 0.000 2.950 263 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.299 263 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.299 263 G C 0.695 175.658 174.900 0.105 0.000 1.310 263 G CA 0.332 45.470 45.100 0.063 0.000 0.994 263 G HN 0.515 nan 8.290 nan 0.000 0.575 264 E N 1.314 121.587 120.200 0.122 0.000 2.307 264 E HA 0.215 4.565 4.350 -0.000 0.000 0.195 264 E C 1.274 178.079 176.600 0.340 0.000 0.975 264 E CA 0.983 57.468 56.400 0.142 0.000 0.878 264 E CB -0.056 29.688 29.700 0.073 0.000 0.845 264 E HN 0.524 nan 8.360 nan 0.000 0.488 265 T N 1.626 116.358 114.554 0.297 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 -0.237 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 2.816 122.521 119.800 -0.159 0.000 2.296 266 Q HA 0.299 4.639 4.340 -0.000 0.000 0.257 266 Q C 0.175 175.940 176.000 -0.391 0.000 0.942 266 Q CA -0.487 54.828 55.803 -0.813 0.000 0.939 266 Q CB 0.918 28.869 28.738 -1.312 0.000 1.198 266 Q HN 0.558 nan 8.270 nan 0.000 0.429 267 V N 2.709 122.430 119.914 -0.322 0.000 2.685 267 V HA 0.298 4.418 4.120 -0.000 0.000 0.244 267 V C 0.415 176.414 176.094 -0.159 0.000 1.054 267 V CA 1.137 63.356 62.300 -0.135 0.000 1.076 267 V CB 0.158 31.999 31.823 0.029 0.000 0.725 267 V HN 0.798 nan 8.190 nan 0.000 0.467 268 A N -1.352 121.333 122.820 -0.225 0.000 2.599 268 A HA 0.751 5.071 4.320 -0.000 0.000 0.294 268 A C -0.828 176.636 177.584 -0.200 0.000 1.055 268 A CA -0.129 51.804 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 -1.176 114.438 115.700 -0.144 0.000 2.556 269 S HA 0.870 5.340 4.470 -0.000 0.000 0.271 269 S C -0.521 174.034 174.600 -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 0.049 114.588 114.554 -0.026 0.000 2.876 271 T HA 0.885 5.235 4.350 -0.000 0.000 0.289 271 T C -0.161 174.509 174.700 -0.051 0.000 1.014 271 T CA 0.127 62.219 62.100 -0.013 0.000 0.986 271 T CB 1.769 70.664 68.868 0.045 0.000 1.021 271 T HN 1.653 nan 8.240 nan 0.000 0.458 272 A N 3.600 126.359 122.820 -0.103 0.000 2.566 272 A HA 0.901 5.221 4.320 -0.000 0.000 0.290 272 A C -3.219 174.231 177.584 -0.222 0.000 1.071 272 A CA -1.460 50.495 52.037 -0.136 0.000 0.658 272 A CB 1.247 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 -0.711 176.474 177.300 -0.191 0.000 1.279 273 P CA -0.451 62.559 63.100 -0.151 0.000 0.867 273 P CB 0.487 32.161 31.700 -0.044 0.000 1.127 274 F N 0.769 120.670 119.950 -0.082 0.000 2.539 274 F HA 0.407 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 1.888 59.851 58.000 -0.062 0.000 1.333 274 F CB -0.085 38.871 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 -0.434 174.512 174.900 0.076 0.000 1.224 275 G CA -0.793 44.380 45.100 0.121 0.000 1.109 275 G HN 1.052 nan 8.290 nan 0.000 0.519 276 G N 0.623 109.487 108.800 0.107 0.000 2.588 276 G HA2 0.675 4.635 3.960 -0.000 0.000 0.281 276 G HA3 0.675 4.635 3.960 -0.000 0.000 0.281 276 G C 0.163 175.099 174.900 0.059 0.000 1.236 276 G CA -0.395 44.759 45.100 0.090 0.000 0.969 276 G HN 0.843 nan 8.290 nan 0.000 0.504 277 E N -0.941 119.290 120.200 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 0.819 30.535 29.700 0.027 0.000 1.014 277 E HN 0.218 nan 8.360 nan 0.000 0.427 278 I N 2.476 123.053 120.570 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 0.607 61.907 61.300 -0.000 0.000 1.429 278 I CB 0.155 38.151 38.000 -0.007 0.000 1.371 278 I HN 0.622 nan 8.210 nan 0.000 0.569 279 I N 1.756 122.322 120.570 -0.006 0.000 3.883 279 I HA 0.315 4.485 4.170 -0.000 0.000 0.305 279 I C -0.258 175.855 176.117 -0.006 0.000 1.247 279 I CA 0.317 61.623 61.300 0.011 0.000 1.350 279 I CB 0.387 38.416 38.000 0.049 0.000 1.194 279 I HN 0.636 nan 8.210 nan 0.000 0.441 280 D N -0.014 120.370 120.400 -0.027 0.000 2.921 280 D HA 0.180 4.820 4.640 -0.000 0.000 0.329 280 D C 0.275 176.557 176.300 -0.029 0.000 1.293 280 D CA -0.455 53.531 54.000 -0.023 0.000 0.964 280 D CB 0.615 41.401 40.800 -0.023 0.000 1.435 280 D HN -0.156 nan 8.370 nan 0.000 0.548 281 E N -0.881 119.304 120.200 -0.024 0.000 2.267 281 E HA -0.052 4.298 4.350 -0.000 0.000 0.197 281 E C 1.451 178.032 176.600 -0.032 0.000 0.998 281 E CA 1.008 57.394 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 -0.498 119.975 120.500 -0.046 0.000 2.300 282 R HA 0.251 4.591 4.340 -0.000 0.000 0.199 282 R C 0.768 177.026 176.300 -0.070 0.000 0.920 282 R CA 0.660 56.727 56.100 -0.056 0.000 1.046 282 R CB 0.797 31.058 30.300 -0.064 0.000 0.984 282 R HN 0.206 nan 8.270 nan 0.000 0.493 283 G N -0.489 108.268 108.800 -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 -1.828 106.908 108.800 -0.108 0.000 3.140 284 G HA2 0.651 4.611 3.960 -0.000 0.000 0.271 284 G HA3 0.651 4.611 3.960 -0.000 0.000 0.271 284 G C -1.536 173.238 174.900 -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 0.686 120.998 120.300 0.020 0.000 2.404 285 Y HA 0.417 4.967 4.550 -0.000 0.000 0.344 285 Y C 1.410 177.334 175.900 0.039 0.000 0.995 285 Y CA 0.189 58.305 58.100 0.026 0.000 1.201 285 Y CB 1.865 40.346 38.460 0.036 0.000 1.151 285 Y HN 0.539 nan 8.280 nan 0.000 0.517 286 A N 1.893 124.793 122.820 0.133 0.000 2.016 286 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 286 A C 1.242 178.905 177.584 0.132 0.000 1.162 286 A CA 1.270 53.367 52.037 0.100 0.000 0.662 286 A CB -0.238 18.779 19.000 0.029 0.000 0.812 286 A HN 0.793 nan 8.150 nan 0.000 0.450 287 D N -0.320 120.156 120.400 0.126 0.000 2.561 287 D HA 0.160 4.800 4.640 -0.000 0.000 0.232 287 D C 0.326 176.758 176.300 0.221 0.000 1.198 287 D CA -0.110 53.900 54.000 0.017 0.000 0.826 287 D CB -0.136 40.623 40.800 -0.067 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 2.781 288 R HA 0.754 5.094 4.340 -0.000 0.000 0.269 288 R C -1.601 174.825 176.300 0.209 0.000 1.025 288 R CA -1.227 55.063 56.100 0.318 0.000 0.914 288 R CB 2.742 33.089 30.300 0.078 0.000 1.236 288 R HN -0.015 nan 8.270 nan 0.000 0.465 289 V N 0.164 120.076 119.914 -0.003 0.000 3.000 289 V HA 0.498 4.618 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 -0.245 61.975 62.300 -0.132 0.000 0.972 289 V CB 2.683 34.269 31.823 -0.396 0.000 1.065 289 V HN 0.831 nan 8.190 nan 0.000 0.431 290 T N 7.451 121.955 114.554 -0.084 0.000 2.792 290 T HA 0.727 5.077 4.350 -0.000 0.000 0.280 290 T C -0.714 173.945 174.700 -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 3.060 124.243 121.223 -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 -0.607 55.468 56.100 -0.043 0.000 0.867 292 R CB 1.328 31.604 30.300 -0.041 0.000 1.171 292 R HN 0.474 nan 8.270 nan 0.000 0.470 293 L N 2.829 124.027 121.223 -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 1.330 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 2.354 121.022 118.700 -0.053 0.000 2.479 294 N HA 0.444 5.184 4.740 -0.000 0.000 0.285 294 N C -0.863 174.600 175.510 -0.078 0.000 1.075 294 N CA -0.308 52.705 53.050 -0.061 0.000 0.967 294 N CB 2.768 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 1.862 121.712 119.914 -0.107 0.000 2.525 295 V HA 0.218 4.338 4.120 -0.000 0.000 0.299 295 V C -0.098 175.909 176.094 -0.145 0.000 1.034 295 V CA -0.843 61.359 62.300 -0.163 0.000 0.863 295 V CB 2.102 33.731 31.823 -0.323 0.000 0.999 295 V HN 0.510 nan 8.190 nan 0.000 0.423 296 E N 3.671 123.811 120.200 -0.099 0.000 2.231 296 E HA 0.332 4.681 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 0.669 nan 8.360 nan 0.000 0.393 297 N N 1.666 120.355 118.700 -0.018 0.000 2.688 297 N HA -0.116 4.624 4.740 -0.000 0.000 0.258 297 N C -2.340 173.164 175.510 -0.011 0.000 1.016 297 N CA 0.375 53.431 53.050 0.009 0.000 0.747 297 N CB -1.172 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 0.286 63.269 63.100 -0.194 0.000 0.785 298 P CB 0.820 32.152 31.700 -0.613 0.000 0.923 299 K N 1.540 122.046 120.400 0.176 0.000 2.234 299 K HA 0.378 4.698 4.320 -0.000 0.000 0.277 299 K C -0.067 176.699 176.600 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 33.016 32.500 0.141 0.000 1.091 299 K HN 0.386 nan 8.250 nan 0.000 0.467 300 L N 2.571 123.882 121.223 0.148 0.000 2.395 300 L HA 0.296 4.636 4.340 -0.000 0.000 0.269 300 L C -0.075 176.874 176.870 0.131 0.000 1.133 300 L CA -0.689 54.239 54.840 0.146 0.000 0.812 300 L CB 0.398 42.388 42.059 -0.115 0.000 1.125 300 L HN 0.597 nan 8.230 nan 0.000 0.452 301 W N 3.189 124.513 121.300 0.041 0.000 2.376 301 W HA 0.478 5.138 4.660 -0.000 0.000 0.322 301 W C 0.086 176.542 176.519 -0.105 0.000 1.160 301 W CA 0.111 57.460 57.345 0.005 0.000 1.218 301 W CB 1.358 30.866 29.460 0.081 0.000 1.205 301 W HN 0.617 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 0.633 5.103 4.470 -0.000 0.000 0.269 302 S C -0.006 173.828 174.600 -1.278 0.000 1.161 302 S CA -0.336 57.363 58.200 -0.836 0.000 0.817 302 S CB 1.091 63.997 63.200 -0.490 0.000 1.131 302 S HN 1.036 nan 8.310 nan 0.000 0.467 303 A N 0.393 122.645 122.820 -0.947 0.000 2.066 303 A HA 0.127 4.447 4.320 -0.000 0.000 0.218 303 A C 1.701 178.969 177.584 -0.526 0.000 1.157 303 A CA 1.243 52.718 52.037 -0.937 0.000 0.670 303 A CB -0.849 17.472 19.000 -1.131 0.000 0.804 303 A HN 0.869 nan 8.150 nan 0.000 0.453 304 E N -0.776 119.242 120.200 -0.304 0.000 2.112 304 E HA 0.085 4.435 4.350 -0.000 0.000 0.190 304 E C -0.288 176.178 176.600 -0.223 0.000 0.979 304 E CA 0.681 56.970 56.400 -0.185 0.000 0.814 304 E CB 0.076 29.795 29.700 0.032 0.000 0.762 304 E HN 0.590 nan 8.360 nan 0.000 0.460 305 I N 1.415 121.807 120.570 -0.298 0.000 2.576 305 I HA 0.146 4.316 4.170 -0.000 0.000 0.279 305 I C -2.601 173.277 176.117 -0.398 0.000 1.114 305 I CA -1.864 59.284 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 -0.234 nan 8.210 nan 0.000 0.472 306 P HA 0.081 nan 4.420 nan 0.000 0.226 306 P C -0.582 176.705 177.300 -0.022 0.000 1.783 306 P CA -0.159 62.647 63.100 -0.491 0.000 0.980 306 P CB -0.353 31.239 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 0.120 4.860 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 2.238 123.602 121.223 0.235 0.000 2.323 308 L HA 0.525 4.865 4.340 -0.000 0.000 0.265 308 L C -0.802 176.156 176.870 0.146 0.000 1.012 308 L CA -0.890 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 -0.077 120.349 120.300 0.211 0.000 2.602 309 Y HA 0.577 5.127 4.550 -0.000 0.000 0.342 309 Y C -0.323 175.684 175.900 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 0.384 nan 8.280 nan 0.000 0.485 310 R N 1.186 121.923 120.500 0.394 0.000 2.445 310 R HA 0.860 5.200 4.340 -0.000 0.000 0.308 310 R C -1.515 174.989 176.300 0.340 0.000 0.961 310 R CA -0.618 55.651 56.100 0.282 0.000 0.862 310 R CB 1.044 31.429 30.300 0.141 0.000 1.144 310 R HN 0.794 nan 8.270 nan 0.000 0.447 311 A N 3.756 126.715 122.820 0.232 0.000 2.343 311 A HA 0.613 4.933 4.320 -0.000 0.000 0.316 311 A C -1.189 176.478 177.584 0.138 0.000 1.104 311 A CA -0.645 51.519 52.037 0.212 0.000 0.768 311 A CB 1.594 20.690 19.000 0.159 0.000 1.213 311 A HN 0.459 nan 8.150 nan 0.000 0.456 312 V N 2.385 122.388 119.914 0.149 0.000 2.540 312 V HA 0.526 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 -0.639 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 4.723 124.574 119.914 -0.106 0.000 2.350 313 V HA 0.465 4.585 4.120 -0.000 0.000 0.285 313 V C -0.174 175.872 176.094 -0.079 0.000 1.014 313 V CA -0.545 61.667 62.300 -0.147 0.000 0.831 313 V CB 1.335 32.934 31.823 -0.374 0.000 1.000 313 V HN 1.028 nan 8.190 nan 0.000 0.433 314 E N 5.013 125.213 120.200 -0.000 0.000 2.176 314 E HA 0.563 4.913 4.350 -0.000 0.000 0.267 314 E C -1.118 175.565 176.600 0.138 0.000 0.893 314 E CA -1.063 55.381 56.400 0.074 0.000 0.761 314 E CB 2.809 32.572 29.700 0.104 0.000 1.133 314 E HN 0.417 nan 8.360 nan 0.000 0.409 315 L N 5.306 126.583 121.223 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 0.153 55.030 54.840 0.061 0.000 0.816 315 L CB -0.127 41.949 42.059 0.028 0.000 1.191 315 L HN 0.686 nan 8.230 nan 0.000 0.431 316 H N 1.243 120.340 119.070 0.045 0.000 2.942 316 H HA 0.615 5.171 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 0.488 nan 8.280 nan 0.000 0.545 317 T N -2.618 112.093 114.554 0.262 0.000 2.927 317 T HA 0.528 4.878 4.350 -0.000 0.000 0.281 317 T C 1.479 176.359 174.700 0.299 0.000 0.998 317 T CA -0.227 62.038 62.100 0.273 0.000 1.019 317 T CB 1.462 70.525 68.868 0.325 0.000 1.061 317 T HN 0.774 nan 8.240 nan 0.000 0.518 318 A N 1.194 124.162 122.820 0.246 0.000 1.978 318 A HA -0.140 4.179 4.320 -0.000 0.000 0.220 318 A C 2.047 179.729 177.584 0.163 0.000 1.170 318 A CA 1.832 53.983 52.037 0.189 0.000 0.636 318 A CB -1.071 18.024 19.000 0.159 0.000 0.810 318 A HN 0.998 nan 8.150 nan 0.000 0.448 319 D N -1.905 118.576 120.400 0.134 0.000 2.178 319 D HA 0.068 4.708 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 1.390 55.437 54.000 0.079 0.000 0.842 319 D CB -0.315 40.508 40.800 0.040 0.000 0.948 319 D HN 0.843 nan 8.370 nan 0.000 0.472 320 G N -0.074 108.799 108.800 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 0.243 175.162 174.900 0.030 0.000 1.006 320 G CA 0.035 45.159 45.100 0.039 0.000 0.684 320 G HN 0.328 nan 8.290 nan 0.000 0.489 321 T N 2.041 116.650 114.554 0.092 0.000 2.769 321 T HA 0.427 4.777 4.350 -0.000 0.000 0.293 321 T C 0.588 175.363 174.700 0.125 0.000 0.931 321 T CA -0.006 62.144 62.100 0.083 0.000 1.139 321 T CB 1.096 70.009 68.868 0.076 0.000 0.881 321 T HN 0.399 nan 8.240 nan 0.000 0.532 322 L N 5.021 126.295 121.223 0.084 0.000 2.360 322 L HA 0.205 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 -0.354 54.548 54.840 0.104 0.000 0.845 322 L CB 0.439 42.532 42.059 0.056 0.000 1.143 322 L HN 0.641 nan 8.230 nan 0.000 0.452 323 I N 3.491 124.122 120.570 0.102 0.000 2.339 323 I HA 0.027 4.197 4.170 -0.000 0.000 0.245 323 I C 0.611 176.742 176.117 0.023 0.000 1.096 323 I CA 0.852 62.185 61.300 0.055 0.000 1.408 323 I CB 0.009 38.032 38.000 0.039 0.000 1.092 323 I HN 0.751 nan 8.210 nan 0.000 0.423 324 E N -0.414 119.801 120.200 0.026 0.000 2.409 324 E HA 0.708 5.058 4.350 -0.000 0.000 0.280 324 E C -1.626 174.994 176.600 0.034 0.000 1.079 324 E CA -1.116 55.291 56.400 0.013 0.000 0.840 324 E CB 1.369 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 1.327 124.195 122.820 0.080 0.000 2.475 325 A HA 0.724 5.044 4.320 -0.000 0.000 0.301 325 A C -1.123 176.580 177.584 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 20.867 19.000 0.093 0.000 1.288 325 A HN 0.530 nan 8.150 nan 0.000 0.408 326 E N -0.380 119.872 120.200 0.088 0.000 2.392 326 E HA 0.792 5.142 4.350 -0.000 0.000 0.269 326 E C -0.585 176.051 176.600 0.060 0.000 0.924 326 E CA -0.610 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 0.090 123.067 122.820 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 0.311 0.000 1.136 327 A CA -0.380 51.737 52.037 0.134 0.000 0.681 327 A CB 1.098 20.065 19.000 -0.054 0.000 1.282 327 A HN 0.921 nan 8.150 nan 0.000 0.421 328 C N -0.877 118.567 119.300 0.240 0.000 3.292 328 C HA 0.740 5.200 4.460 -0.000 0.000 0.338 328 C C -1.668 173.413 174.990 0.151 0.000 1.323 328 C CA -1.011 58.142 59.018 0.225 0.000 1.232 328 C CB 0.943 28.834 27.740 0.251 0.000 1.517 328 C HN 0.808 nan 8.230 nan 0.000 0.470 329 D N 1.059 121.524 120.400 0.109 0.000 2.256 329 D HA 0.567 5.207 4.640 -0.000 0.000 0.250 329 D C -0.423 175.914 176.300 0.062 0.000 1.093 329 D CA 0.121 54.185 54.000 0.107 0.000 0.882 329 D CB 2.025 42.887 40.800 0.104 0.000 1.185 329 D HN 0.536 nan 8.370 nan 0.000 0.437 330 V N 1.059 121.036 119.914 0.105 0.000 2.604 330 V HA 0.671 4.791 4.120 -0.000 0.000 0.305 330 V C 0.517 176.643 176.094 0.054 0.000 1.043 330 V CA -0.746 61.556 62.300 0.003 0.000 0.888 330 V CB 2.115 33.919 31.823 -0.032 0.000 0.995 330 V HN 0.633 nan 8.190 nan 0.000 0.429 331 G N 2.837 111.568 108.800 -0.115 0.000 2.478 331 G HA2 0.629 4.589 3.960 -0.000 0.000 0.317 331 G HA3 0.629 4.589 3.960 -0.000 0.000 0.317 331 G C -1.174 173.730 174.900 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 2.229 122.342 119.950 0.272 0.000 2.404 332 F HA 0.508 5.035 4.527 -0.000 0.000 0.359 332 F C 1.006 177.033 175.800 0.378 0.000 1.134 332 F CA -0.233 57.976 58.000 0.348 0.000 1.160 332 F CB 0.948 40.172 39.000 0.373 0.000 1.186 332 F HN 0.478 nan 8.300 nan 0.000 0.526 333 R N 1.221 121.988 120.500 0.445 0.000 2.710 333 R HA 0.552 4.892 4.340 -0.000 0.000 0.270 333 R C -1.604 174.819 176.300 0.205 0.000 1.021 333 R CA -1.141 55.079 56.100 0.201 0.000 0.889 333 R CB 1.798 32.236 30.300 0.229 0.000 1.243 333 R HN 0.432 nan 8.270 nan 0.000 0.464 334 E N 1.729 121.946 120.200 0.029 0.000 2.199 334 E HA 0.420 4.770 4.350 -0.000 0.000 0.265 334 E C -1.342 175.306 176.600 0.079 0.000 0.882 334 E CA -0.939 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 5.587 125.550 119.914 0.081 0.000 2.384 335 V HA 0.578 4.698 4.120 -0.000 0.000 0.287 335 V C -0.146 175.978 176.094 0.049 0.000 1.020 335 V CA -0.545 61.779 62.300 0.040 0.000 0.850 335 V CB 1.219 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 -0.939 55.190 56.100 0.047 0.000 0.889 336 R CB 1.857 32.197 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 0.324 4.494 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 -0.380 60.935 61.300 0.025 0.000 1.191 337 I CB 1.735 39.751 38.000 0.027 0.000 1.343 337 I HN 0.717 nan 8.210 nan 0.000 0.458 338 E N 6.510 126.724 120.200 0.024 0.000 2.278 338 E HA 0.243 4.593 4.350 -0.000 0.000 0.272 338 E C -0.312 176.298 176.600 0.018 0.000 0.890 338 E CA -0.566 55.850 56.400 0.026 0.000 0.770 338 E CB 1.036 30.756 29.700 0.033 0.000 1.212 338 E HN 0.536 nan 8.360 nan 0.000 0.415 339 N N 3.366 122.076 118.700 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 2.135 55.193 53.050 0.012 0.000 0.703 339 N CB -1.241 37.252 38.487 0.011 0.000 1.005 339 N HN 1.059 nan 8.380 nan 0.000 0.550 340 G N -2.244 106.560 108.800 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 -0.055 121.164 121.223 -0.007 0.000 2.354 341 L HA 0.750 5.090 4.340 -0.000 0.000 0.269 341 L C -0.038 176.821 176.870 -0.018 0.000 1.005 341 L CA -1.331 53.498 54.840 -0.019 0.000 0.819 341 L CB 1.949 43.997 42.059 -0.019 0.000 1.311 341 L HN 0.103 nan 8.230 nan 0.000 0.423 342 L N 3.684 124.886 121.223 -0.036 0.000 2.265 342 L HA 0.505 4.845 4.340 -0.000 0.000 0.288 342 L C -0.948 175.899 176.870 -0.039 0.000 1.058 342 L CA 0.336 55.155 54.840 -0.036 0.000 0.809 342 L CB 0.476 42.501 42.059 -0.057 0.000 1.179 342 L HN 0.389 nan 8.230 nan 0.000 0.429 343 L N 5.664 126.878 121.223 -0.015 0.000 2.342 343 L HA 0.587 4.927 4.340 -0.000 0.000 0.271 343 L C -0.908 175.963 176.870 0.002 0.000 1.008 343 L CA -0.859 53.979 54.840 -0.002 0.000 0.818 343 L CB 2.019 44.099 42.059 0.034 0.000 1.296 343 L HN 0.560 nan 8.230 nan 0.000 0.427 344 L N 2.976 124.211 121.223 0.019 0.000 2.376 344 L HA 0.495 4.835 4.340 -0.000 0.000 0.275 344 L C -0.274 176.620 176.870 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 4.084 122.700 118.700 -0.140 0.000 2.721 345 N HA -0.221 4.519 4.740 -0.000 0.000 0.249 345 N C 0.879 176.162 175.510 -0.379 0.000 1.072 345 N CA 1.390 54.105 53.050 -0.558 0.000 0.710 345 N CB -1.222 36.816 38.487 -0.750 0.000 0.993 345 N HN 1.185 nan 8.380 nan 0.000 0.547 346 G N -1.954 106.844 108.800 -0.004 0.000 2.217 346 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.246 346 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.246 346 G C -0.092 174.856 174.900 0.080 0.000 0.990 346 G CA 0.782 45.962 45.100 0.132 0.000 0.627 346 G HN 0.464 nan 8.290 nan 0.000 0.522 347 K N 1.004 121.441 120.400 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 -2.090 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 0.224 nan 4.420 nan 0.000 0.282 348 P C -0.179 177.068 177.300 -0.089 0.000 1.262 348 P CA -0.212 62.850 63.100 -0.062 0.000 0.773 348 P CB 0.517 32.181 31.700 -0.060 0.000 0.879 349 L N 3.195 124.358 121.223 -0.100 0.000 2.468 349 L HA 0.388 4.728 4.340 -0.000 0.000 0.254 349 L C 0.510 177.304 176.870 -0.126 0.000 1.171 349 L CA -0.680 54.090 54.840 -0.117 0.000 0.809 349 L CB 0.328 42.279 42.059 -0.179 0.000 1.155 349 L HN 0.235 nan 8.230 nan 0.000 0.473 350 L N 2.488 123.651 121.223 -0.101 0.000 2.471 350 L HA 0.424 4.764 4.340 -0.000 0.000 0.263 350 L C -0.692 176.129 176.870 -0.082 0.000 0.985 350 L CA -0.135 54.633 54.840 -0.121 0.000 0.868 350 L CB 0.993 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 4.681 125.138 120.570 -0.189 0.000 2.379 351 I HA 0.235 4.405 4.170 -0.000 0.000 0.290 351 I C 0.435 176.496 176.117 -0.093 0.000 1.063 351 I CA -0.026 61.171 61.300 -0.171 0.000 1.351 351 I CB 0.633 38.413 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 55.911 56.100 0.085 0.000 1.482 352 R CB 0.850 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 0.060 108.901 108.800 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 -0.499 44.663 45.100 0.104 0.000 0.976 353 G HN 0.242 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 -1.145 175.088 176.094 0.232 0.000 1.130 354 V CA -1.203 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 4.371 123.138 118.700 0.112 0.000 2.499 355 N HA 0.474 5.214 4.740 -0.000 0.000 0.281 355 N C -0.795 174.529 175.510 -0.311 0.000 1.098 355 N CA -0.362 52.631 53.050 -0.096 0.000 0.979 355 N CB 1.662 40.103 38.487 -0.077 0.000 1.121 355 N HN 0.633 nan 8.380 nan 0.000 0.466 356 R N 2.024 122.310 120.500 -0.357 0.000 2.514 356 R HA 0.236 4.576 4.340 -0.000 0.000 0.296 356 R C -0.990 175.082 176.300 -0.380 0.000 1.012 356 R CA -0.549 55.351 56.100 -0.333 0.000 0.897 356 R CB 0.962 31.068 30.300 -0.324 0.000 1.184 356 R HN 0.588 nan 8.270 nan 0.000 0.440 357 H N 2.050 120.972 119.070 -0.246 0.000 2.508 357 H HA 0.142 4.698 4.556 -0.000 0.000 0.358 357 H C -0.507 174.810 175.328 -0.019 0.000 1.212 357 H CA -0.086 55.901 56.048 -0.100 0.000 1.356 357 H CB 1.519 31.274 29.762 -0.011 0.000 1.525 357 H HN 0.558 nan 8.280 nan 0.000 0.578 358 E N 1.596 121.983 120.200 0.312 0.000 1.941 358 E HA 0.104 4.454 4.350 -0.000 0.000 0.275 358 E C -0.775 175.963 176.600 0.229 0.000 1.113 358 E CA 0.011 56.513 56.400 0.170 0.000 0.878 358 E CB 0.163 29.967 29.700 0.173 0.000 1.070 358 E HN 0.382 nan 8.360 nan 0.000 0.399 359 H N 1.516 120.630 119.070 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 1.089 30.877 29.762 0.043 0.000 1.727 359 H HN 0.365 nan 8.280 nan 0.000 0.534 360 H N 6.268 124.987 119.070 -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 2.503 32.136 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 0.828 32.409 31.700 -0.198 0.000 0.783 362 L N -1.871 119.335 121.223 -0.027 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 55.643 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 -0.697 118.313 119.070 -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 56.042 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 0.600 175.403 174.900 -0.162 0.000 1.153 364 G CA 0.306 45.260 45.100 -0.244 0.000 0.968 364 G HN 0.463 nan 8.290 nan 0.000 0.544 365 Q N 0.050 119.777 119.800 -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 55.709 55.803 -0.061 0.000 0.948 365 Q CB 0.867 29.460 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 0.077 0.000 2.498 366 V HA 0.188 4.308 4.120 -0.000 0.000 0.279 366 V C 0.161 176.298 176.094 0.072 0.000 1.048 366 V CA -0.024 62.340 62.300 0.107 0.000 0.967 366 V CB 1.019 32.849 31.823 0.011 0.000 0.988 366 V HN 0.315 nan 8.190 nan 0.000 0.473 367 M N 4.363 123.998 119.600 0.057 0.000 2.598 367 M HA 0.570 5.050 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 -0.743 54.546 55.300 -0.019 0.000 0.971 367 M CB 1.685 34.237 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 0.285 176.573 176.300 -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 -0.012 120.190 120.200 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 1.570 58.006 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 2.291 58.153 55.803 0.099 0.000 0.846 370 Q CB -0.180 28.616 28.738 0.097 0.000 0.902 370 Q HN 0.370 nan 8.270 nan 0.000 0.421 371 T N 1.139 115.771 114.554 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 0.627 120.320 119.600 0.155 0.000 2.089 372 M HA -0.154 4.326 4.480 -0.000 0.000 0.257 372 M C 2.438 178.868 176.300 0.218 0.000 1.071 372 M CA 1.542 57.006 55.300 0.274 0.000 1.096 372 M CB -0.759 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 1.788 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 -0.220 119.621 119.800 0.068 0.000 2.050 374 Q HA -0.255 4.085 4.340 -0.000 0.000 0.202 374 Q C 2.030 178.110 176.000 0.133 0.000 0.980 374 Q CA 2.010 57.869 55.803 0.093 0.000 0.840 374 Q CB -0.088 28.722 28.738 0.119 0.000 0.898 374 Q HN 0.608 nan 8.270 nan 0.000 0.424 375 D N 0.374 120.877 120.400 0.172 0.000 2.092 375 D HA -0.177 4.463 4.640 -0.000 0.000 0.193 375 D C 1.866 178.144 176.300 -0.037 0.000 0.994 375 D CA 1.178 55.293 54.000 0.191 0.000 0.828 375 D CB -0.273 40.630 40.800 0.173 0.000 0.963 375 D HN 0.324 nan 8.370 nan 0.000 0.450 376 I N 0.663 121.188 120.570 -0.076 0.000 2.208 376 I HA -0.254 3.916 4.170 -0.000 0.000 0.245 376 I C 2.386 178.379 176.117 -0.208 0.000 1.097 376 I CA 0.682 61.836 61.300 -0.244 0.000 1.363 376 I CB -0.144 37.601 38.000 -0.426 0.000 1.051 376 I HN 0.050 nan 8.210 nan 0.000 0.413 377 L N -0.007 121.137 121.223 -0.131 0.000 2.027 377 L HA -0.217 4.123 4.340 -0.000 0.000 0.206 377 L C 2.594 179.537 176.870 0.121 0.000 1.074 377 L CA 1.515 56.358 54.840 0.006 0.000 0.745 377 L CB -0.740 41.339 42.059 0.035 0.000 0.898 377 L HN 0.317 nan 8.230 nan 0.000 0.433 378 L N -0.757 120.565 121.223 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 -0.312 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 1.870 57.108 55.300 -0.102 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 0.107 120.484 120.400 -0.038 0.000 2.103 380 K HA -0.205 4.115 4.320 -0.000 0.000 0.207 380 K C 1.891 178.481 176.600 -0.018 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 -0.517 0.000 0.716 380 K HN 0.516 nan 8.250 nan 0.000 0.444 381 Q N 0.173 120.130 119.800 0.262 0.000 2.369 381 Q HA -0.018 4.322 4.340 -0.000 0.000 0.206 381 Q C 0.863 177.156 176.000 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 0.667 119.612 118.700 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 0.005 118.812 118.700 0.177 0.000 2.829 383 N HA -0.181 4.559 4.740 -0.000 0.000 0.250 383 N C -0.848 174.560 175.510 -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 1.184 121.132 119.950 -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 -0.503 57.482 58.000 -0.025 0.000 1.149 384 F CB 0.812 39.777 39.000 -0.058 0.000 1.190 384 F HN 0.045 nan 8.300 nan 0.000 0.533 385 N N 0.618 119.432 118.700 0.191 0.000 2.160 385 N HA 0.436 5.176 4.740 -0.000 0.000 0.226 385 N C -0.858 174.716 175.510 0.107 0.000 1.256 385 N CA 0.017 53.122 53.050 0.091 0.000 0.890 385 N CB 0.726 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 -0.541 122.400 122.820 0.202 0.000 2.606 386 A HA 0.765 5.085 4.320 -0.000 0.000 0.293 386 A C -1.748 176.044 177.584 0.346 0.000 1.082 386 A CA -0.635 51.578 52.037 0.294 0.000 0.685 386 A CB 1.733 20.948 19.000 0.358 0.000 1.284 386 A HN 0.286 nan 8.150 nan 0.000 0.408 387 V N 0.783 120.946 119.914 0.415 0.000 2.971 387 V HA 0.834 4.954 4.120 -0.000 0.000 0.309 387 V C -0.880 175.356 176.094 0.238 0.000 1.130 387 V CA -0.723 61.782 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 2.437 388 R HA 0.493 4.833 4.340 -0.000 0.000 0.310 388 R C -0.804 175.368 176.300 -0.214 0.000 0.955 388 R CA -0.496 55.439 56.100 -0.275 0.000 0.851 388 R CB 1.277 31.157 30.300 -0.701 0.000 1.161 388 R HN 0.833 nan 8.270 nan 0.000 0.446 389 C N 4.221 123.421 119.300 -0.166 0.000 3.329 389 C HA 0.098 4.558 4.460 -0.000 0.000 0.537 389 C C 0.538 175.256 174.990 -0.455 0.000 1.034 389 C CA -0.422 58.443 59.018 -0.254 0.000 1.086 389 C CB -2.195 25.504 27.740 -0.068 0.000 1.392 389 C HN 0.687 nan 8.230 nan 0.000 0.612 390 S N 1.377 116.702 115.700 -0.626 0.000 2.481 390 S HA 0.155 4.625 4.470 -0.000 0.000 0.282 390 S C -0.114 173.624 174.600 -1.437 0.000 1.243 390 S CA 0.167 57.744 58.200 -1.038 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 3.535 121.990 119.070 -1.026 0.000 2.597 391 H HA 0.317 4.873 4.556 -0.000 0.000 0.225 391 H C -1.150 174.007 175.328 -0.284 0.000 1.422 391 H CA -0.379 55.427 56.048 -0.404 0.000 1.335 391 H CB -0.134 29.599 29.762 -0.048 0.000 1.783 391 H HN 0.889 nan 8.280 nan 0.000 0.513 392 Y N -2.751 117.647 120.300 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 -2.975 55.229 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 -0.041 175.695 175.510 0.378 0.000 1.236 394 N CA -0.635 52.608 53.050 0.323 0.000 0.982 394 N CB 0.409 38.863 38.487 -0.055 0.000 1.194 394 N HN 0.592 nan 8.380 nan 0.000 0.582 395 H N 1.791 120.963 119.070 0.170 0.000 3.034 395 H HA 0.014 4.570 4.556 -0.000 0.000 0.324 395 H C -1.733 173.777 175.328 0.304 0.000 1.015 395 H CA -0.797 55.358 56.048 0.178 0.000 1.429 395 H CB 1.044 30.870 29.762 0.107 0.000 1.429 395 H HN 0.396 nan 8.280 nan 0.000 0.585 396 P HA -0.226 nan 4.420 nan 0.000 0.217 396 P C 1.770 179.365 177.300 0.492 0.000 1.151 396 P CA 0.879 64.188 63.100 0.348 0.000 0.849 396 P CB 0.155 31.892 31.700 0.061 0.000 0.787 397 L N -1.502 120.083 121.223 0.605 0.000 2.201 397 L HA -0.038 4.302 4.340 -0.000 0.000 0.212 397 L C 2.258 179.341 176.870 0.355 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 0.053 nan 8.230 nan 0.000 0.440 398 W N -0.283 121.086 121.300 0.116 0.000 2.318 398 W HA -0.360 4.300 4.660 -0.000 0.000 0.313 398 W C 2.104 178.504 176.519 -0.199 0.000 1.221 398 W CA 2.081 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 0.583 120.834 120.300 -0.083 0.000 2.224 399 Y HA -0.231 4.319 4.550 -0.000 0.000 0.289 399 Y C 2.854 178.523 175.900 -0.384 0.000 1.146 399 Y CA 2.107 59.934 58.100 -0.455 0.000 1.182 399 Y CB -1.334 36.579 38.460 -0.911 0.000 0.983 399 Y HN -0.198 nan 8.280 nan 0.000 0.524 400 T N 0.491 115.062 114.554 0.028 0.000 2.777 400 T HA -0.108 4.242 4.350 -0.000 0.000 0.266 400 T C 2.011 176.747 174.700 0.060 0.000 1.040 400 T CA 1.113 63.296 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 0.447 121.673 121.223 0.006 0.000 2.046 401 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 401 L C 2.865 179.727 176.870 -0.014 0.000 1.077 401 L CA 1.062 55.929 54.840 0.046 0.000 0.747 401 L CB -0.755 41.284 42.059 -0.033 0.000 0.896 401 L HN 0.383 nan 8.230 nan 0.000 0.432 402 C N -0.228 118.892 119.300 -0.301 0.000 2.425 402 C HA -0.144 4.316 4.460 -0.000 0.000 0.277 402 C C 2.397 177.423 174.990 0.059 0.000 1.280 402 C CA 0.383 59.261 59.018 -0.232 0.000 1.744 402 C CB -0.845 26.649 27.740 -0.411 0.000 1.989 402 C HN 0.543 nan 8.230 nan 0.000 0.491 403 D N 0.444 120.880 120.400 0.061 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 0.309 0.000 0.984 403 D CA 1.183 55.288 54.000 0.176 0.000 0.834 403 D CB -0.334 40.524 40.800 0.097 0.000 0.955 403 D HN 0.536 nan 8.370 nan 0.000 0.465 404 R N -0.965 119.614 120.500 0.130 0.000 2.080 404 R HA 0.011 4.351 4.340 -0.000 0.000 0.222 404 R C 2.172 178.396 176.300 -0.127 0.000 1.107 404 R CA 0.555 56.652 56.100 -0.005 0.000 0.980 404 R CB -0.174 30.038 30.300 -0.148 0.000 0.879 404 R HN 0.266 nan 8.270 nan 0.000 0.439 405 Y N -0.157 120.156 120.300 0.021 0.000 2.395 405 Y HA 0.127 4.677 4.550 -0.000 0.000 0.293 405 Y C 1.026 176.858 175.900 -0.114 0.000 1.123 405 Y CA 0.867 58.950 58.100 -0.028 0.000 1.227 405 Y CB 0.600 39.013 38.460 -0.078 0.000 1.012 405 Y HN 0.257 nan 8.280 nan 0.000 0.552 406 G N 1.137 109.959 108.800 0.037 0.000 2.980 406 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.255 406 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.255 406 G C -1.099 173.631 174.900 -0.284 0.000 1.020 406 G CA -0.552 44.423 45.100 -0.208 0.000 1.230 406 G HN 0.157 nan 8.290 nan 0.000 0.580 407 L N 0.749 121.878 121.223 -0.157 0.000 2.431 407 L HA 0.528 4.868 4.340 -0.000 0.000 0.266 407 L C 0.021 176.851 176.870 -0.066 0.000 0.978 407 L CA -1.334 53.376 54.840 -0.216 0.000 0.822 407 L CB 2.001 43.961 42.059 -0.166 0.000 1.310 407 L HN 0.413 nan 8.230 nan 0.000 0.409 408 Y N 1.789 122.196 120.300 0.177 0.000 2.319 408 Y HA 0.421 4.971 4.550 -0.000 0.000 0.328 408 Y C 0.206 176.217 175.900 0.185 0.000 1.133 408 Y CA -0.646 57.590 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 3.752 123.846 119.914 0.300 0.000 2.735 409 V HA 0.385 4.504 4.120 -0.000 0.000 0.310 409 V C -0.703 175.477 176.094 0.142 0.000 1.061 409 V CA -1.039 61.386 62.300 0.208 0.000 0.913 409 V CB 2.067 33.981 31.823 0.151 0.000 1.005 409 V HN 0.450 nan 8.190 nan 0.000 0.428 410 V N 2.591 122.564 119.914 0.099 0.000 2.347 410 V HA 0.370 4.490 4.120 -0.000 0.000 0.280 410 V C -0.449 175.687 176.094 0.071 0.000 1.021 410 V CA -0.399 61.914 62.300 0.023 0.000 0.847 410 V CB 1.556 33.312 31.823 -0.112 0.000 0.990 410 V HN 0.889 nan 8.190 nan 0.000 0.444 411 D N 3.988 124.460 120.400 0.119 0.000 2.249 411 D HA 0.332 4.972 4.640 -0.000 0.000 0.246 411 D C -0.274 176.204 176.300 0.296 0.000 1.114 411 D CA -0.049 54.112 54.000 0.268 0.000 0.854 411 D CB 1.333 42.336 40.800 0.339 0.000 1.132 411 D HN 0.694 nan 8.370 nan 0.000 0.461 412 E N 1.846 122.191 120.200 0.241 0.000 2.210 412 E HA 0.609 4.959 4.350 -0.000 0.000 0.266 412 E C -1.016 175.715 176.600 0.219 0.000 0.883 412 E CA -1.062 55.466 56.400 0.212 0.000 0.761 412 E CB 1.356 31.132 29.700 0.128 0.000 1.156 412 E HN 0.473 nan 8.360 nan 0.000 0.412 413 A N 3.808 126.752 122.820 0.206 0.000 2.483 413 A HA 0.021 4.341 4.320 -0.000 0.000 0.238 413 A C 0.394 178.097 177.584 0.199 0.000 1.070 413 A CA -0.152 51.989 52.037 0.172 0.000 0.770 413 A CB 0.113 19.182 19.000 0.114 0.000 1.008 413 A HN 0.700 nan 8.150 nan 0.000 0.497 414 N N 1.317 120.143 118.700 0.209 0.000 3.103 414 N HA 0.226 4.966 4.740 -0.000 0.000 0.305 414 N C -0.950 174.683 175.510 0.204 0.000 1.232 414 N CA 0.227 53.432 53.050 0.258 0.000 1.190 414 N CB -0.868 37.778 38.487 0.265 0.000 1.461 414 N HN 0.476 nan 8.380 nan 0.000 0.538 415 I N 0.664 121.346 120.570 0.186 0.000 2.500 415 I HA 0.279 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 -0.679 60.712 61.300 0.151 0.000 1.062 415 I CB 1.926 39.990 38.000 0.105 0.000 1.223 415 I HN 0.212 nan 8.210 nan 0.000 0.435 416 E N 4.273 124.558 120.200 0.140 0.000 2.294 416 E HA 0.300 4.650 4.350 -0.000 0.000 0.272 416 E C -0.487 176.171 176.600 0.098 0.000 0.896 416 E CA -0.435 56.023 56.400 0.097 0.000 0.802 416 E CB 1.595 31.339 29.700 0.072 0.000 1.267 416 E HN 0.654 nan 8.360 nan 0.000 0.406 417 T N 0.758 115.361 114.554 0.083 0.000 3.293 417 T HA 0.142 4.492 4.350 -0.000 0.000 0.276 417 T C 1.018 175.769 174.700 0.085 0.000 1.003 417 T CA -0.220 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 1.259 120.250 119.070 -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 1.449 57.380 56.048 -0.194 0.000 1.247 418 H CB -0.283 29.332 29.762 -0.244 0.000 1.359 418 H HN 0.584 nan 8.280 nan 0.000 0.488 419 G N 0.243 108.880 108.800 -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 0.562 175.556 174.900 0.156 0.000 1.145 419 G CA -0.085 44.890 45.100 -0.209 0.000 0.791 419 G HN 0.152 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 55.248 55.300 0.142 0.000 1.148 420 M CB 1.174 33.810 32.600 0.061 0.000 1.388 420 M HN -0.188 nan 8.290 nan 0.000 0.469 421 V N 2.201 122.122 119.914 0.012 0.000 2.567 421 V HA 0.325 4.445 4.120 -0.000 0.000 0.298 421 V C -2.142 173.939 176.094 -0.022 0.000 1.047 421 V CA -1.322 60.973 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 0.275 nan 4.420 nan 0.000 0.274 422 P C 1.099 178.394 177.300 -0.009 0.000 1.256 422 P CA -0.552 62.538 63.100 -0.016 0.000 0.795 422 P CB 0.753 32.444 31.700 -0.013 0.000 1.038 423 M N 0.814 120.414 119.600 0.001 0.000 2.260 423 M HA -0.206 4.274 4.480 -0.000 0.000 0.261 423 M C 0.963 177.274 176.300 0.018 0.000 1.066 423 M CA 1.925 57.234 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 -0.265 118.442 118.700 0.012 0.000 2.251 424 N HA -0.046 4.694 4.740 -0.000 0.000 0.217 424 N C 1.081 176.553 175.510 -0.063 0.000 1.124 424 N CA 0.056 53.107 53.050 0.003 0.000 0.843 424 N CB -0.639 37.868 38.487 0.034 0.000 1.024 424 N HN 0.353 nan 8.380 nan 0.000 0.501 425 R N 0.537 120.989 120.500 -0.079 0.000 2.103 425 R HA -0.027 4.313 4.340 -0.000 0.000 0.242 425 R C 1.421 177.599 176.300 -0.203 0.000 1.142 425 R CA 1.555 57.584 56.100 -0.119 0.000 0.960 425 R CB -0.082 30.149 30.300 -0.116 0.000 0.858 425 R HN 0.304 nan 8.270 nan 0.000 0.439 426 L N -0.731 120.306 121.223 -0.310 0.000 2.202 426 L HA 0.026 4.366 4.340 -0.000 0.000 0.205 426 L C 2.445 179.132 176.870 -0.305 0.000 1.083 426 L CA 1.185 55.707 54.840 -0.529 0.000 0.790 426 L CB -0.612 40.863 42.059 -0.974 0.000 0.942 426 L HN 0.363 nan 8.230 nan 0.000 0.452 427 T N -3.914 110.501 114.554 -0.232 0.000 2.977 427 T HA -0.194 4.156 4.350 -0.000 0.000 0.271 427 T C 1.220 175.800 174.700 -0.200 0.000 1.105 427 T CA 1.343 63.291 62.100 -0.253 0.000 1.116 427 T CB -0.294 68.379 68.868 -0.325 0.000 0.878 427 T HN 0.111 nan 8.240 nan 0.000 0.509 428 D N 1.209 121.531 120.400 -0.130 0.000 2.342 428 D HA 0.142 4.782 4.640 -0.000 0.000 0.221 428 D C -0.467 175.801 176.300 -0.054 0.000 1.101 428 D CA -0.247 53.696 54.000 -0.096 0.000 0.837 428 D CB -0.025 40.730 40.800 -0.076 0.000 0.938 428 D HN 0.341 nan 8.370 nan 0.000 0.508 429 D N -0.514 119.870 120.400 -0.026 0.000 2.408 429 D HA 0.178 4.818 4.640 -0.000 0.000 0.243 429 D C -1.799 174.555 176.300 0.090 0.000 1.075 429 D CA -2.280 51.749 54.000 0.048 0.000 0.832 429 D CB 2.310 43.176 40.800 0.110 0.000 1.162 429 D HN -0.128 nan 8.370 nan 0.000 0.515 430 P HA -0.120 nan 4.420 nan 0.000 0.217 430 P C 1.082 178.386 177.300 0.007 0.000 1.148 430 P CA 1.013 64.121 63.100 0.013 0.000 0.828 430 P CB 0.339 32.036 31.700 -0.005 0.000 0.783 431 R N -1.923 118.589 120.500 0.019 0.000 2.152 431 R HA -0.107 4.233 4.340 -0.000 0.000 0.232 431 R C 1.659 177.837 176.300 -0.203 0.000 1.117 431 R CA 1.258 57.300 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 0.160 4.820 4.660 -0.000 0.000 0.308 432 W C 1.353 177.809 176.519 -0.105 0.000 1.253 432 W CA -0.523 56.762 57.345 -0.100 0.000 1.759 432 W CB 0.038 29.434 29.460 -0.106 0.000 1.093 432 W HN 0.038 nan 8.180 nan 0.000 0.648 433 L N 2.320 123.583 121.223 0.066 0.000 2.012 433 L HA -0.082 4.257 4.340 -0.000 0.000 0.210 433 L C -0.668 176.172 176.870 -0.049 0.000 1.073 433 L CA 2.310 57.145 54.840 -0.008 0.000 0.748 433 L CB -1.688 40.353 42.059 -0.031 0.000 0.891 433 L HN -0.230 nan 8.230 nan 0.000 0.431 434 P HA -0.132 nan 4.420 nan 0.000 0.216 434 P C 1.612 178.861 177.300 -0.086 0.000 1.153 434 P CA 2.110 65.152 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 -0.694 122.089 122.820 -0.061 0.000 1.877 435 A HA -0.195 4.125 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 1.954 53.986 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 0.088 nan 8.150 nan 0.000 0.443 436 M N -0.221 119.399 119.600 0.032 0.000 2.159 436 M HA -0.144 4.336 4.480 -0.000 0.000 0.263 436 M C 2.579 178.829 176.300 -0.085 0.000 1.063 436 M CA 1.716 57.010 55.300 -0.010 0.000 1.110 436 M CB -0.468 32.104 32.600 -0.046 0.000 1.374 436 M HN 0.658 nan 8.290 nan 0.000 0.411 437 S N 0.695 116.319 115.700 -0.127 0.000 2.365 437 S HA -0.199 4.271 4.470 -0.000 0.000 0.225 437 S C 1.683 176.120 174.600 -0.271 0.000 1.039 437 S CA 1.548 59.611 58.200 -0.229 0.000 1.033 437 S CB -0.361 62.700 63.200 -0.233 0.000 0.887 437 S HN 0.482 nan 8.310 nan 0.000 0.447 438 E N 0.730 120.819 120.200 -0.186 0.000 2.110 438 E HA -0.112 4.238 4.350 -0.000 0.000 0.193 438 E C 2.417 178.933 176.600 -0.141 0.000 0.988 438 E CA 0.914 57.212 56.400 -0.170 0.000 0.804 438 E CB -0.215 29.419 29.700 -0.110 0.000 0.745 438 E HN 0.590 nan 8.360 nan 0.000 0.458 439 R N 0.262 120.707 120.500 -0.091 0.000 2.120 439 R HA -0.086 4.254 4.340 -0.000 0.000 0.234 439 R C 2.339 178.596 176.300 -0.073 0.000 1.123 439 R CA 0.819 56.893 56.100 -0.043 0.000 0.975 439 R CB -0.030 30.280 30.300 0.017 0.000 0.866 439 R HN 0.007 nan 8.270 nan 0.000 0.446 440 V N 0.007 119.833 119.914 -0.148 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 -0.306 31.412 31.823 -0.176 0.000 0.682 440 V HN 0.513 nan 8.190 nan 0.000 0.463 441 T N -0.379 113.887 114.554 -0.480 0.000 2.665 441 T HA -0.293 4.056 4.350 -0.000 0.000 0.268 441 T C 1.949 176.497 174.700 -0.253 0.000 1.035 441 T CA 1.694 63.437 62.100 -0.595 0.000 1.151 441 T CB -0.473 67.900 68.868 -0.825 0.000 0.862 441 T HN 0.394 nan 8.240 nan 0.000 0.438 442 R N 0.347 120.720 120.500 -0.212 0.000 2.096 442 R HA 0.119 4.459 4.340 -0.000 0.000 0.235 442 R C 2.697 178.921 176.300 -0.127 0.000 1.127 442 R CA 1.552 57.564 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 -0.161 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 1.664 56.920 55.300 -0.073 0.000 1.116 443 M CB 0.050 32.641 32.600 -0.015 0.000 1.348 443 M HN -0.015 nan 8.290 nan 0.000 0.407 444 V N 0.853 120.590 119.914 -0.295 0.000 2.343 444 V HA -0.305 3.815 4.120 -0.000 0.000 0.247 444 V C 2.283 178.260 176.094 -0.194 0.000 1.051 444 V CA 2.058 64.068 62.300 -0.483 0.000 1.036 444 V CB -0.922 30.590 31.823 -0.519 0.000 0.654 444 V HN 0.590 nan 8.190 nan 0.000 0.451 445 Q N -0.714 119.010 119.800 -0.128 0.000 2.181 445 Q HA -0.240 4.100 4.340 -0.000 0.000 0.205 445 Q C 2.491 178.406 176.000 -0.143 0.000 0.980 445 Q CA 1.709 57.448 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 0.156 120.564 120.500 -0.153 0.000 2.100 446 R HA -0.085 4.255 4.340 -0.000 0.000 0.220 446 R C 0.559 176.778 176.300 -0.135 0.000 1.091 446 R CA 1.245 57.232 56.100 -0.189 0.000 0.986 446 R CB 0.415 30.608 30.300 -0.179 0.000 0.888 446 R HN 0.137 nan 8.270 nan 0.000 0.444 447 D N -0.142 120.237 120.400 -0.035 0.000 2.369 447 D HA -0.007 4.633 4.640 -0.000 0.000 0.211 447 D C 1.195 177.583 176.300 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 0.317 nan 8.370 nan 0.000 0.509 448 R N 0.417 121.010 120.500 0.155 0.000 2.357 448 R HA 0.081 4.421 4.340 -0.000 0.000 0.202 448 R C 0.871 177.148 176.300 -0.039 0.000 1.047 448 R CA 0.848 57.051 56.100 0.171 0.000 1.034 448 R CB -0.280 30.117 30.300 0.161 0.000 0.875 448 R HN -0.112 nan 8.270 nan 0.000 0.473 449 N N 0.076 118.675 118.700 -0.169 0.000 2.280 449 N HA -0.009 4.731 4.740 -0.000 0.000 0.192 449 N C -0.527 174.828 175.510 -0.260 0.000 1.109 449 N CA 0.131 53.037 53.050 -0.239 0.000 0.855 449 N CB 0.146 38.435 38.487 -0.330 0.000 0.974 449 N HN 0.306 nan 8.380 nan 0.000 0.482 450 H N 1.719 120.699 119.070 -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 -1.119 54.822 56.048 -0.177 0.000 1.471 450 H CB 1.460 31.147 29.762 -0.125 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 1.160 63.903 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 -1.241 114.092 115.700 -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 -0.049 0.000 0.996 452 S CA 0.063 58.084 58.200 -0.300 0.000 0.942 452 S CB -1.230 61.947 63.200 -0.038 0.000 0.768 452 S HN -0.081 nan 8.310 nan 0.000 0.520 453 V N 3.510 123.356 119.914 -0.114 0.000 2.427 453 V HA 0.268 4.388 4.120 -0.000 0.000 0.268 453 V C 1.023 176.975 176.094 -0.237 0.000 1.046 453 V CA -0.132 62.071 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 2.685 123.167 120.570 -0.148 0.000 4.288 454 I HA 0.511 4.681 4.170 -0.000 0.000 0.331 454 I C 0.322 176.320 176.117 -0.197 0.000 1.322 454 I CA 0.394 61.614 61.300 -0.134 0.000 1.149 454 I CB 0.480 38.480 38.000 -0.000 0.000 1.112 454 I HN 0.308 nan 8.210 nan 0.000 0.403 455 I N 0.067 120.499 120.570 -0.228 0.000 2.802 455 I HA 0.380 4.550 4.170 -0.000 0.000 0.298 455 I C -1.559 174.442 176.117 -0.193 0.000 1.176 455 I CA -0.431 60.768 61.300 -0.168 0.000 1.025 455 I CB 2.247 40.244 38.000 -0.005 0.000 1.243 455 I HN 0.014 nan 8.210 nan 0.000 0.424 456 W N 3.395 124.738 121.300 0.073 0.000 2.496 456 W HA 0.637 5.297 4.660 -0.000 0.000 0.327 456 W C 0.282 176.860 176.519 0.099 0.000 1.086 456 W CA -0.680 56.714 57.345 0.081 0.000 1.222 456 W CB 1.797 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 2.636 118.564 115.700 0.380 0.000 2.521 457 S HA 0.411 4.881 4.470 -0.000 0.000 0.295 457 S C 0.143 174.903 174.600 0.267 0.000 1.098 457 S CA -0.698 57.669 58.200 0.279 0.000 0.999 457 S CB 0.853 64.170 63.200 0.195 0.000 1.034 457 S HN 0.581 nan 8.310 nan 0.000 0.483 458 L N 4.032 125.407 121.223 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 41.057 42.059 -0.021 0.000 1.009 458 L HN 0.977 nan 8.230 nan 0.000 0.447 459 G N -0.104 108.838 108.800 0.237 0.000 2.270 459 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.268 459 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.268 459 G C -1.783 173.288 174.900 0.286 0.000 1.312 459 G CA -0.649 44.589 45.100 0.230 0.000 1.050 459 G HN 0.140 nan 8.290 nan 0.000 0.474 460 N N -0.110 118.703 118.700 0.188 0.000 2.405 460 N HA 0.472 5.212 4.740 -0.000 0.000 0.274 460 N C -0.431 175.037 175.510 -0.069 0.000 1.170 460 N CA -0.023 53.003 53.050 -0.040 0.000 0.848 460 N CB 1.665 39.861 38.487 -0.485 0.000 1.629 460 N HN 0.845 nan 8.380 nan 0.000 0.481 461 E N 0.443 120.509 120.200 -0.224 0.000 2.106 461 E HA -0.192 4.158 4.350 -0.000 0.000 0.175 461 E C -0.761 175.757 176.600 -0.136 0.000 1.448 461 E CA 0.724 56.921 56.400 -0.338 0.000 0.672 461 E CB -1.252 27.971 29.700 -0.794 0.000 1.057 461 E HN 0.391 nan 8.360 nan 0.000 0.321 462 S N 0.052 115.817 115.700 0.108 0.000 2.843 462 S HA 0.391 4.861 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 -0.167 58.148 58.200 0.193 0.000 1.042 462 S CB 1.325 64.695 63.200 0.283 0.000 0.936 462 S HN 0.830 nan 8.310 nan 0.000 0.531 463 G N 2.040 110.939 108.800 0.165 0.000 2.578 463 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.275 463 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.275 463 G C -0.479 174.629 174.900 0.347 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 0.598 119.787 119.070 0.199 0.000 2.823 464 H HA 0.584 5.140 4.556 -0.000 0.000 0.332 464 H C 0.243 175.742 175.328 0.285 0.000 0.980 464 H CA 0.071 56.275 56.048 0.259 0.000 1.286 464 H CB 0.841 30.685 29.762 0.137 0.000 1.541 464 H HN 1.140 nan 8.280 nan 0.000 0.521 465 G N 1.414 110.218 108.800 0.006 0.000 2.730 465 G HA2 0.452 4.412 3.960 -0.000 0.000 0.289 465 G HA3 0.452 4.412 3.960 -0.000 0.000 0.289 465 G C 0.475 175.203 174.900 -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 0.087 122.792 122.820 -0.191 0.000 2.024 466 A HA -0.088 4.232 4.320 -0.000 0.000 0.220 466 A C 2.091 179.639 177.584 -0.060 0.000 1.164 466 A CA 1.924 53.904 52.037 -0.096 0.000 0.643 466 A CB -0.432 18.537 19.000 -0.053 0.000 0.806 466 A HN 0.515 nan 8.150 nan 0.000 0.451 467 N N -0.338 118.286 118.700 -0.128 0.000 2.223 467 N HA -0.136 4.604 4.740 -0.000 0.000 0.185 467 N C 1.393 176.840 175.510 -0.106 0.000 1.016 467 N CA 1.651 54.618 53.050 -0.138 0.000 0.863 467 N CB -0.619 37.739 38.487 -0.215 0.000 0.983 467 N HN 0.792 nan 8.380 nan 0.000 0.429 468 H N 0.261 119.288 119.070 -0.072 0.000 2.326 468 H HA -0.026 4.530 4.556 -0.000 0.000 0.301 468 H C 1.233 176.610 175.328 0.082 0.000 1.081 468 H CA 1.249 57.267 56.048 -0.049 0.000 1.334 468 H CB 0.164 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 0.485 121.029 120.400 0.240 0.000 2.123 469 D HA -0.148 4.492 4.640 -0.000 0.000 0.196 469 D C 2.304 178.750 176.300 0.244 0.000 0.992 469 D CA 1.231 55.372 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 0.693 123.606 122.820 0.156 0.000 1.902 470 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 470 A C 2.402 180.094 177.584 0.180 0.000 1.181 470 A CA 1.004 53.126 52.037 0.141 0.000 0.623 470 A CB -0.729 18.313 19.000 0.070 0.000 0.818 470 A HN 0.217 nan 8.150 nan 0.000 0.443 471 L N -2.280 119.039 121.223 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 0.828 121.209 120.300 0.135 0.000 2.128 472 Y HA -0.255 4.295 4.550 -0.000 0.000 0.284 472 Y C 2.846 178.821 175.900 0.125 0.000 1.154 472 Y CA 1.474 59.654 58.100 0.132 0.000 1.149 472 Y CB -0.161 38.377 38.460 0.131 0.000 0.976 472 Y HN -0.077 nan 8.280 nan 0.000 0.505 473 R N -0.021 120.580 120.500 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 -0.012 0.000 1.127 473 R CA 1.818 57.935 56.100 0.029 0.000 0.968 473 R CB -1.582 28.824 30.300 0.176 0.000 0.861 473 R HN 0.680 nan 8.270 nan 0.000 0.440 474 W N 1.016 122.271 121.300 -0.075 0.000 2.355 474 W HA -0.143 4.517 4.660 -0.000 0.000 0.309 474 W C 1.837 178.265 176.519 -0.152 0.000 1.206 474 W CA 1.568 58.856 57.345 -0.094 0.000 1.284 474 W CB -0.313 29.097 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 -0.325 3.845 4.170 -0.000 0.000 0.245 475 I C 2.357 178.247 176.117 -0.379 0.000 1.100 475 I CA 1.277 62.382 61.300 -0.325 0.000 1.374 475 I CB -0.824 37.070 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 0.301 nan 8.250 nan 0.000 0.447 477 S N 0.531 116.042 115.700 -0.316 0.000 2.395 477 S HA -0.032 4.438 4.470 -0.000 0.000 0.225 477 S C 2.169 176.546 174.600 -0.371 0.000 1.027 477 S CA 0.623 58.646 58.200 -0.295 0.000 0.965 477 S CB -0.026 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 1.265 120.818 119.914 -0.602 0.000 2.649 478 V HA 0.064 4.184 4.120 -0.000 0.000 0.248 478 V C 0.310 176.172 176.094 -0.386 0.000 1.054 478 V CA 1.160 63.098 62.300 -0.603 0.000 1.073 478 V CB -0.123 31.008 31.823 -1.153 0.000 0.699 478 V HN 0.368 nan 8.190 nan 0.000 0.463 479 D N -0.887 119.328 120.400 -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 -1.552 52.382 54.000 -0.111 0.000 0.927 479 D CB 1.685 42.512 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 1.031 178.344 177.300 0.022 0.000 1.191 480 P CA 0.346 63.434 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 -1.244 114.479 115.700 0.038 0.000 2.561 481 S HA 0.079 4.549 4.470 -0.000 0.000 0.225 481 S C 0.875 175.496 174.600 0.034 0.000 0.977 481 S CA -0.096 58.130 58.200 0.044 0.000 0.926 481 S CB -0.358 62.863 63.200 0.035 0.000 0.769 481 S HN 0.079 nan 8.310 nan 0.000 0.533 482 R N 1.009 121.540 120.500 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 -2.176 53.920 56.100 -0.006 0.000 0.896 482 R CB 1.584 31.768 30.300 -0.193 0.000 1.201 482 R HN 0.129 nan 8.270 nan 0.000 0.457 483 P HA 0.170 nan 4.420 nan 0.000 0.274 483 P C -0.790 176.608 177.300 0.163 0.000 1.246 483 P CA -0.478 62.679 63.100 0.094 0.000 0.795 483 P CB 0.723 32.465 31.700 0.070 0.000 1.006 484 V N 1.616 121.657 119.914 0.210 0.000 2.555 484 V HA 0.455 4.575 4.120 -0.000 0.000 0.302 484 V C 0.184 176.453 176.094 0.291 0.000 1.038 484 V CA -0.354 62.121 62.300 0.292 0.000 0.887 484 V CB 1.277 33.273 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 -1.881 174.266 176.000 0.246 0.000 1.099 485 Q CA -0.942 54.977 55.803 0.194 0.000 0.806 485 Q CB 2.973 31.773 28.738 0.104 0.000 1.419 485 Q HN 0.660 nan 8.270 nan 0.000 0.427 486 Y N 0.340 120.642 120.300 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 -0.107 0.000 1.234 486 Y CA -0.666 57.404 58.100 -0.049 0.000 1.111 486 Y CB 1.968 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 3.495 123.239 120.200 -0.759 0.000 2.299 487 E HA 0.109 4.459 4.350 -0.000 0.000 0.193 487 E C 0.713 176.857 176.600 -0.760 0.000 0.998 487 E CA 0.748 56.778 56.400 -0.617 0.000 0.851 487 E CB 0.238 29.687 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 -1.454 0.000 2.559 488 G HA2 0.222 4.182 3.960 -0.000 0.000 0.235 488 G HA3 0.222 4.182 3.960 -0.000 0.000 0.235 488 G C 0.772 175.510 174.900 -0.271 0.000 1.266 488 G CA 0.258 44.914 45.100 -0.739 0.000 0.847 488 G HN 0.328 nan 8.290 nan 0.000 0.583 489 G N -0.646 108.101 108.800 -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 1.035 46.146 45.100 0.019 0.000 0.769 489 G HN 2.600 nan 8.290 nan 0.000 0.507 490 G N -1.681 107.103 108.800 -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 -0.182 122.616 122.820 -0.037 0.000 3.413 491 A HA -0.103 4.217 4.320 -0.000 0.000 0.268 491 A C 1.115 178.633 177.584 -0.111 0.000 1.128 491 A CA 2.660 54.625 52.037 -0.120 0.000 1.062 491 A CB -1.804 17.106 19.000 -0.150 0.000 1.121 491 A HN 2.131 nan 8.150 nan 0.000 0.895 492 D N -1.116 119.289 120.400 0.008 0.000 2.636 492 D HA 0.286 4.926 4.640 -0.000 0.000 0.270 492 D C 0.460 176.744 176.300 -0.028 0.000 1.430 492 D CA 0.902 54.916 54.000 0.023 0.000 0.796 492 D CB -1.173 39.772 40.800 0.241 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 1.623 176.186 174.700 -0.227 0.000 1.029 493 T CA 0.664 62.613 62.100 -0.251 0.000 0.990 493 T CB 0.694 69.190 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 0.211 4.561 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 0.359 62.321 62.100 -0.230 0.000 1.090 494 T CB -0.479 68.329 68.868 -0.101 0.000 0.922 494 T HN 0.828 nan 8.240 nan 0.000 0.521 495 A N 0.469 123.041 122.820 -0.413 0.000 2.379 495 A HA 0.479 4.799 4.320 -0.000 0.000 0.236 495 A C 0.930 178.303 177.584 -0.352 0.000 1.272 495 A CA -0.168 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 -1.538 112.855 114.554 -0.269 0.000 2.912 496 T HA 0.393 4.743 4.350 -0.000 0.000 0.299 496 T C -0.591 174.124 174.700 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 2.668 123.159 120.400 0.153 0.000 2.354 497 D HA 0.298 4.938 4.640 -0.000 0.000 0.209 497 D C 0.267 176.595 176.300 0.047 0.000 1.015 497 D CA 0.659 54.737 54.000 0.131 0.000 0.867 497 D CB 0.393 41.299 40.800 0.176 0.000 0.933 497 D HN 0.529 nan 8.370 nan 0.000 0.520 498 I N 0.803 121.381 120.570 0.013 0.000 2.582 498 I HA 0.259 4.429 4.170 -0.000 0.000 0.292 498 I C -0.305 175.746 176.117 -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 5.434 125.893 120.570 -0.185 0.000 2.436 499 I HA 0.083 4.253 4.170 -0.000 0.000 0.289 499 I C 0.027 175.937 176.117 -0.346 0.000 1.083 499 I CA -0.045 61.055 61.300 -0.333 0.000 1.372 499 I CB 0.166 37.865 38.000 -0.502 0.000 1.408 499 I HN 0.653 nan 8.210 nan 0.000 0.516 500 C N 5.527 124.639 119.300 -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 -0.876 26.785 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 -0.465 176.765 177.300 -0.115 0.000 1.266 501 P CA 0.128 63.113 63.100 -0.192 0.000 0.793 501 P CB 0.683 32.280 31.700 -0.172 0.000 1.074 502 M N -0.432 119.127 119.600 -0.069 0.000 2.197 502 M HA 0.475 4.955 4.480 -0.000 0.000 0.301 502 M C -0.985 175.272 176.300 -0.070 0.000 0.987 502 M CA -0.652 54.516 55.300 -0.221 0.000 0.921 502 M CB 1.527 33.966 32.600 -0.268 0.000 1.569 502 M HN 0.340 nan 8.290 nan 0.000 0.431 503 Y N -0.302 120.144 120.300 0.243 0.000 4.569 503 Y HA -0.201 4.349 4.550 -0.000 0.000 0.237 503 Y C 0.447 176.499 175.900 0.253 0.000 1.090 503 Y CA 0.436 58.680 58.100 0.241 0.000 2.052 503 Y CB -2.271 36.294 38.460 0.175 0.000 1.621 503 Y HN 0.994 nan 8.280 nan 0.000 0.682 504 A N 1.219 124.234 122.820 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 -0.471 51.763 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 1.374 122.000 120.500 0.211 0.000 2.546 505 R HA 0.333 4.673 4.340 -0.000 0.000 0.266 505 R C 0.952 177.223 176.300 -0.048 0.000 1.086 505 R CA -0.752 55.411 56.100 0.106 0.000 1.160 505 R CB 0.537 30.871 30.300 0.057 0.000 1.138 505 R HN 0.468 nan 8.270 nan 0.000 0.567 506 V N 0.630 120.368 119.914 -0.293 0.000 2.283 506 V HA -0.191 3.929 4.120 -0.000 0.000 0.243 506 V C 0.929 176.907 176.094 -0.194 0.000 1.039 506 V CA 1.876 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 0.838 41.595 40.800 -0.071 0.000 1.040 507 D HN 0.482 nan 8.370 nan 0.000 0.505 508 E N 1.224 121.410 120.200 -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 1.498 31.191 29.700 -0.011 0.000 1.109 508 E HN -0.122 nan 8.360 nan 0.000 0.394 509 D N 1.961 122.358 120.400 -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 -0.165 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 1.693 121.279 119.800 -0.357 0.000 2.616 510 Q HA 0.275 4.615 4.340 -0.000 0.000 0.250 510 Q C -2.312 173.041 176.000 -1.078 0.000 0.991 510 Q CA -1.608 53.790 55.803 -0.676 0.000 0.707 510 Q CB 2.525 30.864 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 -0.773 176.205 177.300 -0.537 0.000 1.826 511 P CA -0.168 62.515 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 2.612 122.415 119.950 -0.244 0.000 2.459 512 F HA 0.242 4.769 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 -2.565 55.335 58.000 -0.166 0.000 1.268 512 F CB -0.348 38.568 39.000 -0.140 0.000 1.161 512 F HN 0.073 nan 8.300 nan 0.000 0.583 513 P HA 0.075 nan 4.420 nan 0.000 0.268 513 P C 0.321 177.637 177.300 0.026 0.000 1.204 513 P CA 0.859 63.977 63.100 0.029 0.000 0.768 513 P CB 1.176 32.893 31.700 0.029 0.000 0.842 514 A N 3.010 125.832 122.820 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 54.131 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 -3.221 116.692 119.914 -0.000 0.000 2.502 515 V HA 0.567 4.687 4.120 -0.000 0.000 0.261 515 V C -2.433 173.658 176.094 -0.004 0.000 0.996 515 V CA -1.205 61.094 62.300 -0.003 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 -0.745 0.000 1.246 516 P CA -0.022 62.715 63.100 -0.606 0.000 0.795 516 P CB 1.055 31.983 31.700 -1.287 0.000 1.006 517 K N 1.653 121.623 120.400 -0.717 0.000 2.521 517 K HA 0.252 4.572 4.320 -0.000 0.000 0.248 517 K C -0.529 175.752 176.600 -0.532 0.000 0.978 517 K CA -0.282 55.747 56.287 -0.430 0.000 0.947 517 K CB 0.719 33.267 32.500 0.080 0.000 1.165 517 K HN 0.473 nan 8.250 nan 0.000 0.445 518 W N 1.391 122.377 121.300 -0.523 0.000 2.129 518 W HA 0.078 4.738 4.660 -0.000 0.000 0.349 518 W C 1.303 177.815 176.519 -0.012 0.000 1.279 518 W CA -0.685 56.450 57.345 -0.349 0.000 1.306 518 W CB 0.556 29.632 29.460 -0.640 0.000 1.140 518 W HN 0.409 nan 8.180 nan 0.000 0.613 519 S N 3.079 118.932 115.700 0.255 0.000 2.552 519 S HA -0.071 4.399 4.470 -0.000 0.000 0.289 519 S C 1.149 175.887 174.600 0.229 0.000 1.304 519 S CA -0.292 58.002 58.200 0.155 0.000 1.063 519 S CB 0.146 63.380 63.200 0.056 0.000 0.848 519 S HN 0.522 nan 8.310 nan 0.000 0.499 520 I N 2.345 123.018 120.570 0.172 0.000 2.454 520 I HA -0.157 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 1.146 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 2.052 122.374 120.400 -0.129 0.000 2.155 521 K HA -0.150 4.170 4.320 -0.000 0.000 0.203 521 K C 2.153 178.730 176.600 -0.038 0.000 1.052 521 K CA 1.519 57.650 56.287 -0.261 0.000 0.948 521 K CB -0.280 31.970 32.500 -0.417 0.000 0.728 521 K HN 0.451 nan 8.250 nan 0.000 0.448 522 K N 0.589 120.993 120.400 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 -0.176 4.484 4.660 -0.000 0.000 0.297 523 W C 1.454 177.936 176.519 -0.061 0.000 1.213 523 W CA 1.201 58.515 57.345 -0.052 0.000 1.251 523 W CB -0.407 29.114 29.460 0.102 0.000 1.136 523 W HN 0.108 nan 8.180 nan 0.000 0.526 524 L N 0.764 122.138 121.223 0.250 0.000 2.191 524 L HA -0.211 4.129 4.340 -0.000 0.000 0.212 524 L C 2.478 179.405 176.870 0.095 0.000 1.103 524 L CA 1.770 56.696 54.840 0.142 0.000 0.769 524 L CB -0.980 41.143 42.059 0.105 0.000 0.908 524 L HN -0.031 nan 8.230 nan 0.000 0.438 525 S N -0.926 114.808 115.700 0.058 0.000 2.575 525 S HA 0.158 4.628 4.470 -0.000 0.000 0.215 525 S C 0.765 175.342 174.600 -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 62.769 63.200 0.003 0.000 0.780 525 S HN 0.187 nan 8.310 nan 0.000 0.514 526 L N 2.146 123.333 121.223 -0.060 0.000 2.506 526 L HA 0.241 4.580 4.340 -0.000 0.000 0.281 526 L C -2.235 174.601 176.870 -0.056 0.000 1.228 526 L CA -1.727 53.038 54.840 -0.124 0.000 0.850 526 L CB -0.431 41.517 42.059 -0.184 0.000 1.110 526 L HN 0.039 nan 8.230 nan 0.000 0.496 527 P HA -0.000 nan 4.420 nan 0.000 0.258 527 P C 0.796 178.087 177.300 -0.015 0.000 1.187 527 P CA 0.917 63.993 63.100 -0.040 0.000 0.767 527 P CB 0.569 32.240 31.700 -0.048 0.000 0.770 528 G N 1.987 110.784 108.800 -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 -0.002 45.104 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 0.641 57.071 56.400 0.051 0.000 0.872 529 E CB 0.836 30.593 29.700 0.095 0.000 1.015 529 E HN 0.561 nan 8.360 nan 0.000 0.417 530 T N 0.627 115.199 114.554 0.030 0.000 3.087 530 T HA 0.332 4.682 4.350 -0.000 0.000 0.283 530 T C 0.602 175.309 174.700 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 0.244 nan 8.240 nan 0.000 0.532 531 R N 2.169 122.672 120.500 0.004 0.000 2.707 531 R HA 0.469 4.809 4.340 -0.000 0.000 0.270 531 R C -2.541 173.737 176.300 -0.036 0.000 1.083 531 R CA -1.733 54.358 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 0.229 nan 8.270 nan 0.000 0.528 532 P HA 0.135 nan 4.420 nan 0.000 0.276 532 P C -1.118 176.111 177.300 -0.119 0.000 1.252 532 P CA -0.228 62.829 63.100 -0.072 0.000 0.802 532 P CB 0.659 32.317 31.700 -0.070 0.000 1.035 533 L N 2.057 123.190 121.223 -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 5.746 126.183 120.570 -0.221 0.000 2.500 534 I HA 0.264 4.434 4.170 -0.000 0.000 0.286 534 I C -0.789 175.236 176.117 -0.154 0.000 1.063 534 I CA -0.557 60.606 61.300 -0.229 0.000 1.062 534 I CB 2.040 39.959 38.000 -0.134 0.000 1.223 534 I HN 0.482 nan 8.210 nan 0.000 0.435 535 L N 5.668 126.773 121.223 -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 -0.182 54.602 54.840 -0.092 0.000 0.863 535 L CB 0.733 42.706 42.059 -0.143 0.000 1.140 535 L HN 0.870 nan 8.230 nan 0.000 0.463 536 C N 0.603 119.948 119.300 0.075 0.000 2.446 536 C HA 0.096 4.556 4.460 -0.000 0.000 0.279 536 C C 0.646 175.756 174.990 0.200 0.000 1.366 536 C CA -0.081 59.014 59.018 0.128 0.000 1.763 536 C CB -0.985 26.742 27.740 -0.021 0.000 1.929 536 C HN 0.825 nan 8.230 nan 0.000 0.509 537 E N -0.827 119.421 120.200 0.081 0.000 2.304 537 E HA 0.607 4.957 4.350 -0.000 0.000 0.277 537 E C -1.302 175.249 176.600 -0.081 0.000 0.898 537 E CA -0.397 56.045 56.400 0.070 0.000 0.764 537 E CB 1.833 31.412 29.700 -0.202 0.000 1.216 537 E HN 0.692 nan 8.360 nan 0.000 0.419 538 Y N -0.914 119.378 120.300 -0.014 0.000 2.670 538 Y HA 0.668 5.218 4.550 -0.000 0.000 0.334 538 Y C -0.594 175.473 175.900 0.279 0.000 1.185 538 Y CA -0.996 57.107 58.100 0.004 0.000 1.053 538 Y CB 1.024 39.366 38.460 -0.197 0.000 1.298 538 Y HN 0.653 nan 8.280 nan 0.000 0.459 539 A N 1.929 124.810 122.820 0.101 0.000 2.303 539 A HA -0.270 4.050 4.320 -0.000 0.000 0.286 539 A C -0.356 177.361 177.584 0.222 0.000 1.429 539 A CA 1.038 53.127 52.037 0.086 0.000 0.738 539 A CB -2.495 16.419 19.000 -0.144 0.000 1.149 539 A HN 1.058 nan 8.150 nan 0.000 0.364 540 H N 0.862 120.085 119.070 0.255 0.000 3.226 540 H HA 0.224 4.780 4.556 -0.000 0.000 0.260 540 H C 1.227 176.624 175.328 0.115 0.000 0.967 540 H CA 0.794 57.002 56.048 0.267 0.000 1.435 540 H CB 0.346 30.144 29.762 0.060 0.000 1.533 540 H HN 0.816 nan 8.280 nan 0.000 0.525 541 A N 6.441 129.197 122.820 -0.107 0.000 2.426 541 A HA 0.019 4.339 4.320 -0.000 0.000 0.247 541 A C 0.987 178.441 177.584 -0.217 0.000 1.389 541 A CA -0.291 51.646 52.037 -0.167 0.000 1.129 541 A CB -0.672 18.212 19.000 -0.194 0.000 0.928 541 A HN 0.793 nan 8.150 nan 0.000 0.557 542 M N 1.348 120.809 119.600 -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 1.240 56.406 55.300 -0.223 0.000 1.148 542 M CB -0.325 32.190 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 -0.280 174.157 174.900 -0.773 0.000 1.200 543 G CA -0.046 44.731 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 0.525 5.265 4.740 -0.000 0.000 0.260 544 N C -0.007 175.247 175.510 -0.427 0.000 1.173 544 N CA 1.086 53.678 53.050 -0.764 0.000 0.960 544 N CB 0.526 38.572 38.487 -0.736 0.000 1.273 544 N HN 0.792 nan 8.380 nan 0.000 0.497 545 S N 1.911 117.441 115.700 -0.283 0.000 2.998 545 S HA 0.588 5.058 4.470 -0.000 0.000 0.321 545 S C -0.193 174.334 174.600 -0.122 0.000 1.171 545 S CA -0.396 57.695 58.200 -0.182 0.000 0.882 545 S CB 0.170 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 0.194 121.377 121.223 -0.067 0.000 4.613 546 L HA -0.067 4.273 4.340 -0.000 0.000 0.409 546 L C 0.460 177.361 176.870 0.052 0.000 1.100 546 L CA 0.893 55.714 54.840 -0.032 0.000 1.029 546 L CB -1.712 40.241 42.059 -0.178 0.000 2.137 546 L HN 0.702 nan 8.230 nan 0.000 0.713 547 G N -0.852 107.953 108.800 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 45.239 45.100 -0.019 0.000 0.876 547 G HN 1.375 nan 8.290 nan 0.000 0.521 548 G N 1.587 110.442 108.800 0.092 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 1.000 176.104 174.900 0.341 0.000 0.982 548 G CA 0.717 45.931 45.100 0.190 0.000 0.641 548 G HN 0.775 nan 8.290 nan 0.000 0.527 549 F N 1.871 121.950 119.950 0.214 0.000 2.126 549 F HA 0.119 4.646 4.527 -0.000 0.000 0.299 549 F C 2.668 178.691 175.800 0.371 0.000 1.096 549 F CA 2.548 60.742 58.000 0.323 0.000 1.255 549 F CB -0.438 38.681 39.000 0.197 0.000 0.997 549 F HN 0.351 nan 8.300 nan 0.000 0.479 550 A N -0.124 122.854 122.820 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 1.618 53.740 52.037 0.141 0.000 0.635 550 A CB -0.664 18.428 19.000 0.152 0.000 0.810 550 A HN 0.408 nan 8.150 nan 0.000 0.446 551 K N -1.446 118.961 120.400 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 1.939 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 1.361 58.849 58.100 -1.020 0.000 1.148 552 Y CB -0.396 37.467 38.460 -0.994 0.000 0.981 552 Y HN 0.170 nan 8.280 nan 0.000 0.507 553 W N 0.148 121.043 121.300 -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 -0.297 0.000 1.218 553 W CA 1.586 58.648 57.345 -0.471 0.000 1.245 553 W CB -0.548 28.722 29.460 -0.317 0.000 1.126 553 W HN 0.112 nan 8.180 nan 0.000 0.545 554 Q N -0.027 119.674 119.800 -0.164 0.000 2.079 554 Q HA -0.150 4.190 4.340 -0.000 0.000 0.200 554 Q C 2.330 178.259 176.000 -0.118 0.000 0.974 554 Q CA 1.689 57.440 55.803 -0.088 0.000 0.840 554 Q CB -0.332 28.369 28.738 -0.062 0.000 0.898 554 Q HN 0.258 nan 8.270 nan 0.000 0.430 555 A N 0.153 122.808 122.820 -0.274 0.000 1.902 555 A HA -0.144 4.176 4.320 -0.000 0.000 0.217 555 A C 1.828 179.367 177.584 -0.076 0.000 1.181 555 A CA 1.025 52.938 52.037 -0.207 0.000 0.623 555 A CB -1.002 17.750 19.000 -0.414 0.000 0.818 555 A HN 0.471 nan 8.150 nan 0.000 0.443 556 F N -0.591 119.186 119.950 -0.290 0.000 2.161 556 F HA -0.188 4.339 4.527 -0.000 0.000 0.300 556 F C 2.720 178.421 175.800 -0.164 0.000 1.089 556 F CA 1.083 58.883 58.000 -0.333 0.000 1.282 556 F CB -0.134 38.462 39.000 -0.674 0.000 1.010 556 F HN 0.143 nan 8.300 nan 0.000 0.485 557 R N -0.002 120.556 120.500 0.097 0.000 2.148 557 R HA -0.149 4.191 4.340 -0.000 0.000 0.223 557 R C 2.113 178.451 176.300 0.064 0.000 1.088 557 R CA 1.006 57.151 56.100 0.075 0.000 0.985 557 R CB -0.247 30.093 30.300 0.067 0.000 0.880 557 R HN 0.374 nan 8.270 nan 0.000 0.451 558 Q N -0.573 119.292 119.800 0.109 0.000 2.302 558 Q HA -0.022 4.318 4.340 -0.000 0.000 0.202 558 Q C -0.561 175.470 176.000 0.051 0.000 0.936 558 Q CA 0.698 56.555 55.803 0.089 0.000 0.886 558 Q CB 0.473 29.287 28.738 0.127 0.000 0.986 558 Q HN 0.167 nan 8.270 nan 0.000 0.487 559 Y N 0.113 120.395 120.300 -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 -0.150 nan 4.420 nan 0.000 0.215 560 P C 1.109 178.415 177.300 0.009 0.000 1.157 560 P CA 1.755 64.864 63.100 0.015 0.000 0.868 560 P CB 0.323 32.015 31.700 -0.014 0.000 0.788 561 R N -0.947 119.575 120.500 0.037 0.000 2.339 561 R HA 0.089 4.429 4.340 -0.000 0.000 0.199 561 R C 0.423 176.702 176.300 -0.034 0.000 1.018 561 R CA 0.195 56.296 56.100 0.001 0.000 1.036 561 R CB -0.538 29.771 30.300 0.015 0.000 0.899 561 R HN 0.280 nan 8.270 nan 0.000 0.473 562 L N 1.983 123.201 121.223 -0.010 0.000 2.302 562 L HA 0.147 4.487 4.340 -0.000 0.000 0.285 562 L C 0.723 177.453 176.870 -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 0.855 176.448 176.000 -0.677 0.000 0.877 563 Q CA 0.126 55.689 55.803 -0.400 0.000 0.958 563 Q CB 0.942 29.531 28.738 -0.248 0.000 1.075 563 Q HN 0.938 nan 8.270 nan 0.000 0.483 564 G N -0.387 107.651 108.800 -1.271 0.000 2.337 564 G HA2 0.169 4.129 3.960 -0.000 0.000 0.197 564 G HA3 0.169 4.129 3.960 -0.000 0.000 0.197 564 G C -0.434 173.681 174.900 -1.308 0.000 1.238 564 G CA -0.738 43.297 45.100 -1.775 0.000 1.119 564 G HN 0.525 nan 8.290 nan 0.000 0.514 565 G N -2.166 106.122 108.800 -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 -1.935 172.865 174.900 -0.166 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 0.615 120.796 119.950 0.385 0.000 2.460 566 F HA 0.532 5.059 4.527 -0.000 0.000 0.341 566 F C 0.725 176.817 175.800 0.487 0.000 1.130 566 F CA -0.754 57.502 58.000 0.426 0.000 0.962 566 F CB 2.116 41.268 39.000 0.254 0.000 1.171 566 F HN 0.260 nan 8.300 nan 0.000 0.436 567 V N 3.079 123.304 119.914 0.519 0.000 2.963 567 V HA -0.092 4.028 4.120 -0.000 0.000 0.306 567 V C -0.319 175.955 176.094 0.299 0.000 1.077 567 V CA -0.332 62.090 62.300 0.203 0.000 1.124 567 V CB 0.941 32.863 31.823 0.164 0.000 0.987 567 V HN 0.779 nan 8.190 nan 0.000 0.487 568 W N 5.993 127.368 121.300 0.126 0.000 2.336 568 W HA 0.468 5.128 4.660 -0.000 0.000 0.315 568 W C -1.047 175.490 176.519 0.031 0.000 1.016 568 W CA -0.685 56.765 57.345 0.176 0.000 1.318 568 W CB 1.429 31.136 29.460 0.413 0.000 1.247 568 W HN 0.916 nan 8.180 nan 0.000 0.414 569 D N 2.645 122.716 120.400 -0.548 0.000 2.812 569 D HA 0.122 4.762 4.640 -0.000 0.000 0.318 569 D C 0.676 176.761 176.300 -0.358 0.000 1.234 569 D CA -0.558 53.013 54.000 -0.716 0.000 0.989 569 D CB 0.283 40.126 40.800 -1.594 0.000 1.442 569 D HN 0.411 nan 8.370 nan 0.000 0.537 570 W N 0.570 121.563 121.300 -0.512 0.000 2.381 570 W HA 0.080 4.740 4.660 -0.000 0.000 0.321 570 W C -0.124 176.169 176.519 -0.377 0.000 1.196 570 W CA 1.361 58.459 57.345 -0.411 0.000 1.304 570 W CB 0.196 29.443 29.460 -0.354 0.000 1.166 570 W HN 0.224 nan 8.180 nan 0.000 0.473 571 V N 0.804 120.526 119.914 -0.320 0.000 2.715 571 V HA 0.295 4.415 4.120 -0.000 0.000 0.310 571 V C -0.537 175.359 176.094 -0.330 0.000 1.054 571 V CA -1.125 60.917 62.300 -0.430 0.000 0.928 571 V CB 1.321 33.013 31.823 -0.219 0.000 1.007 571 V HN -0.125 nan 8.190 nan 0.000 0.437 572 D N 2.060 122.270 120.400 -0.317 0.000 2.455 572 D HA 0.129 4.769 4.640 -0.000 0.000 0.241 572 D C 0.193 176.344 176.300 -0.248 0.000 1.138 572 D CA 0.535 54.403 54.000 -0.221 0.000 0.877 572 D CB 1.061 41.816 40.800 -0.076 0.000 1.187 572 D HN 0.651 nan 8.370 nan 0.000 0.451 573 Q N 1.165 120.771 119.800 -0.322 0.000 3.135 573 Q HA 0.162 4.502 4.340 -0.000 0.000 0.344 573 Q C -0.368 175.630 176.000 -0.005 0.000 1.321 573 Q CA -0.374 55.070 55.803 -0.598 0.000 1.050 573 Q CB 0.199 28.635 28.738 -0.503 0.000 1.498 573 Q HN 0.350 nan 8.270 nan 0.000 0.503 574 S N -0.066 115.733 115.700 0.165 0.000 2.565 574 S HA 0.669 5.139 4.470 -0.000 0.000 0.290 574 S C -0.227 174.557 174.600 0.307 0.000 1.150 574 S CA -0.821 57.572 58.200 0.323 0.000 1.058 574 S CB 1.611 64.971 63.200 0.267 0.000 1.032 574 S HN 0.328 nan 8.310 nan 0.000 0.510 575 L N 1.797 123.134 121.223 0.190 0.000 2.334 575 L HA 0.573 4.913 4.340 -0.000 0.000 0.273 575 L C -0.378 176.418 176.870 -0.123 0.000 1.013 575 L CA -1.064 53.754 54.840 -0.035 0.000 0.816 575 L CB 1.547 43.454 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 0.071 175.835 176.117 -0.588 0.000 1.048 576 I CA 0.198 61.250 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 4.798 124.565 120.400 -1.056 0.000 2.433 577 K HA 0.585 4.905 4.320 -0.000 0.000 0.252 577 K C -1.745 174.088 176.600 -1.277 0.000 1.015 577 K CA -0.865 54.729 56.287 -1.155 0.000 0.860 577 K CB 2.344 33.860 32.500 -1.641 0.000 1.359 577 K HN 0.249 nan 8.250 nan 0.000 0.452 578 Y N 0.402 120.458 120.300 -0.406 0.000 2.499 578 Y HA 0.184 4.734 4.550 -0.000 0.000 0.347 578 Y C -0.153 175.861 175.900 0.189 0.000 0.987 578 Y CA -1.227 56.830 58.100 -0.072 0.000 1.044 578 Y CB 1.356 39.788 38.460 -0.046 0.000 1.245 578 Y HN 0.630 nan 8.280 nan 0.000 0.461 579 D N -0.271 120.394 120.400 0.441 0.000 2.340 579 D HA 0.163 4.803 4.640 -0.000 0.000 0.251 579 D C 0.480 176.894 176.300 0.190 0.000 1.080 579 D CA -0.660 53.519 54.000 0.298 0.000 0.971 579 D CB 0.989 41.901 40.800 0.186 0.000 1.137 579 D HN 0.562 nan 8.370 nan 0.000 0.475 580 E N 0.441 120.710 120.200 0.114 0.000 2.253 580 E HA -0.249 4.101 4.350 -0.000 0.000 0.202 580 E C 0.660 177.294 176.600 0.057 0.000 1.014 580 E CA 1.399 57.839 56.400 0.066 0.000 0.823 580 E CB -0.613 29.110 29.700 0.037 0.000 0.736 580 E HN 0.432 nan 8.360 nan 0.000 0.478 581 N N 0.268 119.011 118.700 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 0.742 39.261 38.487 0.053 0.000 0.989 581 N HN 0.345 nan 8.380 nan 0.000 0.468 582 G N 1.064 109.926 108.800 0.103 0.000 2.221 582 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.265 582 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.265 582 G C -0.397 174.658 174.900 0.259 0.000 1.041 582 G CA -0.307 44.857 45.100 0.107 0.000 0.807 582 G HN 0.272 nan 8.290 nan 0.000 0.502 583 N N 1.166 120.040 118.700 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 -1.417 51.790 53.050 0.263 0.000 0.942 583 N CB 2.172 40.763 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 -0.451 62.413 63.100 -0.393 0.000 0.815 584 P CB 0.842 32.298 31.700 -0.407 0.000 0.989 585 W N -0.285 120.744 121.300 -0.451 0.000 3.083 585 W HA 0.472 5.132 4.660 -0.000 0.000 0.333 585 W C -1.413 174.918 176.519 -0.313 0.000 1.217 585 W CA -1.125 55.977 57.345 -0.405 0.000 1.170 585 W CB 0.443 29.461 29.460 -0.737 0.000 1.437 585 W HN 0.096 nan 8.180 nan 0.000 0.557 586 S N 1.493 117.284 115.700 0.151 0.000 2.474 586 S HA 0.556 5.026 4.470 -0.000 0.000 0.276 586 S C 0.124 174.917 174.600 0.321 0.000 1.227 586 S CA -0.210 58.077 58.200 0.145 0.000 1.050 586 S CB 0.671 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 3.259 126.125 122.820 0.077 0.000 2.340 587 A HA 0.867 5.187 4.320 -0.000 0.000 0.331 587 A C -0.744 177.118 177.584 0.463 0.000 1.140 587 A CA -0.726 51.392 52.037 0.134 0.000 0.801 587 A CB 0.671 19.473 19.000 -0.329 0.000 1.234 587 A HN 0.840 nan 8.150 nan 0.000 0.469 588 Y N -0.555 120.081 120.300 0.559 0.000 2.857 588 Y HA 0.771 5.321 4.550 -0.000 0.000 0.318 588 Y C 0.601 176.850 175.900 0.582 0.000 1.313 588 Y CA -1.433 56.977 58.100 0.515 0.000 1.117 588 Y CB 0.016 38.601 38.460 0.209 0.000 1.344 588 Y HN 0.946 nan 8.280 nan 0.000 0.525 589 G N 0.006 109.165 108.800 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 0.490 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 0.915 176.019 174.900 0.341 0.000 0.988 590 G CA 0.712 46.036 45.100 0.374 0.000 0.625 590 G HN 0.656 nan 8.290 nan 0.000 0.527 591 D N -0.281 120.345 120.400 0.377 0.000 2.371 591 D HA 0.143 4.783 4.640 -0.000 0.000 0.221 591 D C 1.316 177.498 176.300 -0.197 0.000 0.986 591 D CA 0.546 54.602 54.000 0.094 0.000 0.899 591 D CB -0.189 40.608 40.800 -0.006 0.000 0.902 591 D HN 0.480 nan 8.370 nan 0.000 0.530 592 F N -1.019 119.053 119.950 0.203 0.000 2.683 592 F HA 0.313 4.840 4.527 -0.000 0.000 0.306 592 F C 1.772 177.655 175.800 0.140 0.000 1.102 592 F CA -0.174 57.907 58.000 0.135 0.000 1.244 592 F CB 0.720 39.794 39.000 0.125 0.000 1.029 592 F HN -0.058 nan 8.300 nan 0.000 0.545 593 G N 0.548 109.514 108.800 0.276 0.000 2.159 593 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.256 593 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.256 593 G C -0.159 174.881 174.900 0.234 0.000 0.977 593 G CA 0.134 45.360 45.100 0.210 0.000 0.652 593 G HN 0.423 nan 8.290 nan 0.000 0.531 594 D N 0.746 121.336 120.400 0.317 0.000 2.450 594 D HA 0.406 5.046 4.640 -0.000 0.000 0.247 594 D C -0.091 176.336 176.300 0.211 0.000 1.162 594 D CA 0.695 54.870 54.000 0.293 0.000 0.879 594 D CB 1.058 42.091 40.800 0.389 0.000 1.163 594 D HN 0.086 nan 8.370 nan 0.000 0.472 595 T N 2.843 117.493 114.554 0.160 0.000 2.971 595 T HA 0.451 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 -0.693 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 -0.548 118.147 118.700 -0.008 0.000 2.571 597 N HA 0.201 4.941 4.740 -0.000 0.000 0.273 597 N C -1.016 174.471 175.510 -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 0.230 nan 8.380 nan 0.000 0.499 598 D N -0.144 120.228 120.400 -0.047 0.000 2.593 598 D HA 0.124 4.764 4.640 -0.000 0.000 0.241 598 D C 0.571 177.104 176.300 0.390 0.000 1.257 598 D CA -0.190 53.858 54.000 0.080 0.000 0.828 598 D CB 1.040 41.747 40.800 -0.156 0.000 1.049 598 D HN 0.648 nan 8.370 nan 0.000 0.490 599 R N 0.349 121.055 120.500 0.344 0.000 3.682 599 R HA -0.374 3.966 4.340 -0.000 0.000 0.519 599 R C 0.993 177.286 176.300 -0.011 0.000 0.241 599 R CA 1.497 57.767 56.100 0.284 0.000 1.619 599 R CB -1.400 28.993 30.300 0.155 0.000 0.923 599 R HN 0.012 nan 8.270 nan 0.000 0.598 600 Q N 0.636 120.121 119.800 -0.526 0.000 2.437 600 Q HA 0.094 4.434 4.340 -0.000 0.000 0.210 600 Q C 1.833 177.537 176.000 -0.493 0.000 0.972 600 Q CA 1.751 57.082 55.803 -0.787 0.000 0.903 600 Q CB -0.251 27.899 28.738 -0.979 0.000 0.967 600 Q HN 0.458 nan 8.270 nan 0.000 0.486 601 F N 0.507 120.344 119.950 -0.188 0.000 2.323 601 F HA -0.247 4.280 4.527 -0.000 0.000 0.301 601 F C 1.910 177.642 175.800 -0.113 0.000 1.060 601 F CA 1.014 58.993 58.000 -0.034 0.000 1.398 601 F CB -0.460 38.596 39.000 0.094 0.000 1.075 601 F HN 0.338 nan 8.300 nan 0.000 0.540 602 C N -1.572 117.446 119.300 -0.468 0.000 2.562 602 C HA 0.231 4.691 4.460 -0.000 0.000 0.266 602 C C 0.992 175.788 174.990 -0.325 0.000 1.382 602 C CA -0.531 58.062 59.018 -0.709 0.000 1.742 602 C CB -1.622 25.156 27.740 -1.604 0.000 1.812 602 C HN 0.200 nan 8.230 nan 0.000 0.559 603 M N 2.947 122.399 119.600 -0.247 0.000 2.060 603 M HA 0.346 4.826 4.480 -0.000 0.000 0.342 603 M C -0.528 175.665 176.300 -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 1.531 120.122 118.700 -0.181 0.000 2.307 604 N HA 0.195 4.935 4.740 -0.000 0.000 0.248 604 N C 0.119 175.435 175.510 -0.324 0.000 1.322 604 N CA -0.099 52.809 53.050 -0.236 0.000 0.861 604 N CB 1.393 39.826 38.487 -0.091 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 -0.382 0.000 2.502 605 G HA2 0.485 4.445 3.960 -0.000 0.000 0.305 605 G HA3 0.485 4.445 3.960 -0.000 0.000 0.305 605 G C 0.821 175.289 174.900 -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 -0.313 120.491 121.223 -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 0.240 54.671 54.840 -0.681 0.000 0.844 606 L CB -0.104 41.700 42.059 -0.425 0.000 0.970 606 L HN 0.376 nan 8.230 nan 0.000 0.457 607 V N -5.065 114.147 119.914 -1.171 0.000 2.962 607 V HA 0.470 4.590 4.120 -0.000 0.000 0.313 607 V C -0.372 175.234 176.094 -0.814 0.000 1.099 607 V CA -1.219 60.493 62.300 -0.980 0.000 0.971 607 V CB 1.681 32.978 31.823 -0.877 0.000 1.028 607 V HN -0.132 nan 8.190 nan 0.000 0.430 608 F N 1.674 121.451 119.950 -0.287 0.000 2.444 608 F HA 0.531 5.058 4.527 -0.000 0.000 0.331 608 F C 1.973 177.682 175.800 -0.152 0.000 1.167 608 F CA 0.510 58.469 58.000 -0.068 0.000 1.262 608 F CB 1.252 40.256 39.000 0.006 0.000 1.196 608 F HN 0.818 nan 8.300 nan 0.000 0.583 609 A N 1.083 123.991 122.820 0.147 0.000 2.042 609 A HA -0.287 4.033 4.320 -0.000 0.000 0.222 609 A C 1.532 179.091 177.584 -0.042 0.000 1.167 609 A CA 2.150 54.215 52.037 0.047 0.000 0.649 609 A CB -1.118 17.949 19.000 0.112 0.000 0.809 609 A HN 0.850 nan 8.150 nan 0.000 0.457 610 D N -3.268 117.127 120.400 -0.008 0.000 2.340 610 D HA 0.202 4.842 4.640 -0.000 0.000 0.220 610 D C 0.607 176.887 176.300 -0.034 0.000 1.039 610 D CA -0.016 53.952 54.000 -0.053 0.000 0.866 610 D CB -0.059 40.713 40.800 -0.047 0.000 0.913 610 D HN 0.209 nan 8.370 nan 0.000 0.523 611 R N -1.002 119.471 120.500 -0.045 0.000 3.774 611 R HA -0.123 4.217 4.340 -0.000 0.000 0.320 611 R C -0.503 175.779 176.300 -0.030 0.000 1.175 611 R CA 1.138 57.193 56.100 -0.076 0.000 0.849 611 R CB -3.278 27.012 30.300 -0.017 0.000 1.365 611 R HN 0.566 nan 8.270 nan 0.000 0.502 612 T N -2.538 112.048 114.554 0.054 0.000 2.824 612 T HA 0.724 5.074 4.350 -0.000 0.000 0.280 612 T C -2.570 172.256 174.700 0.209 0.000 0.995 612 T CA -2.464 59.711 62.100 0.124 0.000 1.009 612 T CB 2.534 71.471 68.868 0.115 0.000 0.955 612 T HN -0.207 nan 8.240 nan 0.000 0.452 613 P HA 0.164 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 -0.093 62.996 63.100 -0.019 0.000 0.768 613 P CB 0.158 31.858 31.700 -0.001 0.000 0.842 614 H N 3.791 122.665 119.070 -0.327 0.000 2.505 614 H HA 0.132 4.688 4.556 -0.000 0.000 0.355 614 H C -1.170 174.056 175.328 -0.169 0.000 1.179 614 H CA -2.019 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 0.325 nan 8.280 nan 0.000 0.569 615 P HA -0.124 nan 4.420 nan 0.000 0.220 615 P C 1.166 178.463 177.300 -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 -0.031 122.787 122.820 -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 1.324 53.325 52.037 -0.061 0.000 0.643 616 A CB -1.647 17.294 19.000 -0.099 0.000 0.806 616 A HN 0.186 nan 8.150 nan 0.000 0.451 617 L N -0.105 121.085 121.223 -0.055 0.000 2.127 617 L HA -0.141 4.199 4.340 -0.000 0.000 0.211 617 L C 2.352 179.254 176.870 0.053 0.000 1.089 617 L CA 2.655 57.490 54.840 -0.008 0.000 0.757 617 L CB -0.774 41.278 42.059 -0.012 0.000 0.899 617 L HN 0.388 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 0.157 0.000 1.059 618 T CA 1.267 63.459 62.100 0.152 0.000 1.137 618 T CB -0.118 68.829 68.868 0.132 0.000 0.879 618 T HN 0.346 nan 8.240 nan 0.000 0.467 619 E N 1.678 121.915 120.200 0.062 0.000 2.077 619 E HA -0.020 4.330 4.350 -0.000 0.000 0.193 619 E C 2.268 178.872 176.600 0.008 0.000 0.989 619 E CA 1.258 57.697 56.400 0.067 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 1.022 123.741 122.820 -0.169 0.000 1.902 620 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 620 A C 2.172 179.647 177.584 -0.181 0.000 1.181 620 A CA 1.982 53.885 52.037 -0.224 0.000 0.623 620 A CB -0.652 18.203 19.000 -0.243 0.000 0.818 620 A HN 0.275 nan 8.150 nan 0.000 0.443 621 K N -1.313 119.049 120.400 -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 1.943 58.198 56.287 -0.054 0.000 0.928 621 K CB -0.325 32.282 32.500 0.177 0.000 0.713 621 K HN 0.643 nan 8.250 nan 0.000 0.442 622 H N 0.467 119.344 119.070 -0.321 0.000 2.299 622 H HA -0.007 4.549 4.556 -0.000 0.000 0.302 622 H C 1.968 177.012 175.328 -0.474 0.000 1.078 622 H CA 1.724 57.397 56.048 -0.626 0.000 1.323 622 H CB -0.003 29.390 29.762 -0.616 0.000 1.381 622 H HN 0.206 nan 8.280 nan 0.000 0.498 623 Q N 0.336 119.841 119.800 -0.493 0.000 2.226 623 Q HA -0.119 4.221 4.340 -0.000 0.000 0.204 623 Q C 1.629 177.094 176.000 -0.892 0.000 0.975 623 Q CA 1.342 56.784 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 0.885 120.137 119.800 -0.914 0.000 2.320 624 Q HA 0.027 4.367 4.340 -0.000 0.000 0.201 624 Q C 0.180 175.628 176.000 -0.921 0.000 0.910 624 Q CA -0.268 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 -0.535 118.866 119.800 -0.665 0.000 2.428 625 Q HA -0.031 4.309 4.340 -0.000 0.000 0.276 625 Q C -0.354 175.292 176.000 -0.591 0.000 1.059 625 Q CA 0.265 55.790 55.803 -0.465 0.000 0.923 625 Q CB 0.411 29.015 28.738 -0.223 0.000 1.283 625 Q HN 0.177 nan 8.270 nan 0.000 0.447 626 F N 0.365 120.067 119.950 -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 -0.064 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 -0.095 175.390 175.800 -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 40.198 39.000 -0.249 0.000 1.154 627 F HN -0.319 nan 8.300 nan 0.000 0.453 628 Q N 3.049 122.599 119.800 -0.417 0.000 2.377 628 Q HA 0.552 4.892 4.340 -0.000 0.000 0.271 628 Q C -1.456 174.198 176.000 -0.575 0.000 1.077 628 Q CA -0.704 54.850 55.803 -0.416 0.000 0.820 628 Q CB 3.152 31.793 28.738 -0.161 0.000 1.347 628 Q HN 0.552 nan 8.270 nan 0.000 0.444 629 F N 0.222 120.297 119.950 0.209 0.000 2.546 629 F HA 0.598 5.125 4.527 -0.000 0.000 0.320 629 F C 0.390 176.418 175.800 0.379 0.000 1.076 629 F CA -0.841 57.352 58.000 0.321 0.000 0.928 629 F CB 2.124 41.422 39.000 0.497 0.000 1.189 629 F HN 0.123 nan 8.300 nan 0.000 0.465 630 R N 1.730 122.536 120.500 0.510 0.000 2.686 630 R HA 0.654 4.994 4.340 -0.000 0.000 0.283 630 R C -2.007 174.360 176.300 0.113 0.000 0.978 630 R CA -1.191 55.110 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 1.344 122.504 121.223 -0.105 0.000 2.305 631 L HA 0.473 4.813 4.340 -0.000 0.000 0.284 631 L C -1.024 175.689 176.870 -0.262 0.000 1.013 631 L CA 0.170 54.725 54.840 -0.476 0.000 0.819 631 L CB 1.958 43.280 42.059 -1.229 0.000 1.227 631 L HN 0.458 nan 8.230 nan 0.000 0.417 632 S N 3.716 119.291 115.700 -0.208 0.000 2.774 632 S HA 0.688 5.157 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 0.377 63.532 63.200 -0.075 0.000 1.019 632 S HN 1.379 nan 8.310 nan 0.000 0.482 633 G N 4.198 112.911 108.800 -0.143 0.000 2.601 633 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.306 633 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.306 633 G C 0.390 175.188 174.900 -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 1.128 120.834 119.800 -0.157 0.000 2.194 634 Q HA 0.214 4.554 4.340 -0.000 0.000 0.214 634 Q C 0.059 175.936 176.000 -0.203 0.000 0.838 634 Q CA 0.639 56.330 55.803 -0.187 0.000 0.972 634 Q CB 1.060 29.707 28.738 -0.151 0.000 1.131 634 Q HN 0.554 nan 8.270 nan 0.000 0.498 635 T N 1.191 115.638 114.554 -0.178 0.000 2.767 635 T HA 0.517 4.867 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 -0.289 61.722 62.100 -0.148 0.000 0.996 635 T CB 1.401 70.213 68.868 -0.094 0.000 0.927 635 T HN 0.020 nan 8.240 nan 0.000 0.456 636 I N 2.606 123.099 120.570 -0.128 0.000 2.359 636 I HA 0.311 4.481 4.170 -0.000 0.000 0.294 636 I C 0.478 176.626 176.117 0.051 0.000 0.987 636 I CA -0.611 60.646 61.300 -0.070 0.000 1.225 636 I CB 1.427 39.417 38.000 -0.017 0.000 1.366 636 I HN 0.615 nan 8.210 nan 0.000 0.466 637 E N 6.581 126.842 120.200 0.100 0.000 2.133 637 E HA 0.434 4.784 4.350 -0.000 0.000 0.274 637 E C -1.539 175.168 176.600 0.178 0.000 0.930 637 E CA -0.600 55.869 56.400 0.114 0.000 0.770 637 E CB 1.574 31.319 29.700 0.075 0.000 1.104 637 E HN 0.339 nan 8.360 nan 0.000 0.403 638 V N 4.078 124.078 119.914 0.143 0.000 2.427 638 V HA 0.347 4.467 4.120 -0.000 0.000 0.286 638 V C -0.000 176.115 176.094 0.035 0.000 1.034 638 V CA -0.488 61.858 62.300 0.077 0.000 0.893 638 V CB 1.769 33.663 31.823 0.117 0.000 0.982 638 V HN 0.730 nan 8.190 nan 0.000 0.452 639 T N 3.141 117.675 114.554 -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 -0.614 57.554 58.200 -0.054 0.000 1.070 640 S CB 0.647 63.892 63.200 0.075 0.000 1.004 640 S HN 0.710 nan 8.310 nan 0.000 0.493 641 E N 3.041 123.049 120.200 -0.319 0.000 2.496 641 E HA 0.118 4.468 4.350 -0.000 0.000 0.200 641 E C -0.967 175.485 176.600 -0.247 0.000 1.016 641 E CA -0.098 56.153 56.400 -0.248 0.000 0.962 641 E CB 0.349 29.893 29.700 -0.260 0.000 1.071 641 E HN 0.659 nan 8.360 nan 0.000 0.457 642 Y N 0.356 120.554 120.300 -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 -0.274 57.698 58.100 -0.212 0.000 1.234 642 Y CB 0.988 39.300 38.460 -0.246 0.000 1.219 642 Y HN -0.002 nan 8.280 nan 0.000 0.497 643 L N 1.735 122.809 121.223 -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 -0.789 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 -0.388 119.581 119.950 0.031 0.000 2.699 644 F HA 0.199 4.726 4.527 -0.000 0.000 0.295 644 F C 1.288 177.070 175.800 -0.031 0.000 1.052 644 F CA -0.801 57.189 58.000 -0.017 0.000 1.239 644 F CB 0.334 39.300 39.000 -0.056 0.000 1.018 644 F HN -0.121 nan 8.300 nan 0.000 0.627 645 R N 0.089 120.622 120.500 0.056 0.000 2.573 645 R HA 0.464 4.804 4.340 -0.000 0.000 0.272 645 R C -0.992 175.298 176.300 -0.017 0.000 1.009 645 R CA -0.672 55.404 56.100 -0.039 0.000 1.059 645 R CB 0.785 30.961 30.300 -0.207 0.000 1.112 645 R HN 0.073 nan 8.270 nan 0.000 0.517 646 H N 0.392 119.435 119.070 -0.045 0.000 2.482 646 H HA 0.160 4.716 4.556 -0.000 0.000 0.344 646 H C -0.263 175.075 175.328 0.016 0.000 1.151 646 H CA -0.206 55.851 56.048 0.014 0.000 1.300 646 H CB 1.264 31.042 29.762 0.026 0.000 1.494 646 H HN 0.760 nan 8.280 nan 0.000 0.542 647 S N 2.466 118.021 115.700 -0.241 0.000 3.829 647 S HA -0.015 4.455 4.470 -0.000 0.000 0.250 647 S C -0.084 174.609 174.600 0.154 0.000 1.263 647 S CA -0.237 57.996 58.200 0.055 0.000 0.955 647 S CB -0.660 62.583 63.200 0.072 0.000 1.611 647 S HN 0.728 nan 8.310 nan 0.000 0.483 648 D N 0.717 121.218 120.400 0.169 0.000 2.427 648 D HA 0.110 4.750 4.640 -0.000 0.000 0.224 648 D C 0.225 176.585 176.300 0.100 0.000 1.157 648 D CA -0.458 53.644 54.000 0.171 0.000 0.828 648 D CB -0.247 40.650 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 -1.629 173.938 175.510 0.095 0.000 1.625 649 N CA -0.151 52.945 53.050 0.077 0.000 0.862 649 N CB 0.278 38.798 38.487 0.054 0.000 1.415 649 N HN -0.024 nan 8.380 nan 0.000 0.513 650 E N 0.087 120.338 120.200 0.085 0.000 2.278 650 E HA 0.462 4.812 4.350 -0.000 0.000 0.272 650 E C -1.717 174.914 176.600 0.052 0.000 0.890 650 E CA -0.597 55.839 56.400 0.061 0.000 0.770 650 E CB 1.956 31.660 29.700 0.006 0.000 1.212 650 E HN 0.085 nan 8.360 nan 0.000 0.415 651 L N 3.128 124.389 121.223 0.064 0.000 2.362 651 L HA 0.554 4.894 4.340 -0.000 0.000 0.275 651 L C -1.509 175.447 176.870 0.143 0.000 0.998 651 L CA -0.926 53.984 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 4.878 126.221 121.223 0.200 0.000 2.265 652 L HA 0.422 4.762 4.340 -0.000 0.000 0.289 652 L C -0.598 176.500 176.870 0.380 0.000 1.033 652 L CA 0.140 55.128 54.840 0.247 0.000 0.814 652 L CB 0.389 42.586 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 4.902 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 0.927 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 3.665 125.031 121.300 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 1.468 121.421 119.600 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 1.855 34.488 32.600 0.055 0.000 1.783 655 M HN 0.129 nan 8.290 nan 0.000 0.501 656 V N 3.160 123.294 119.914 0.367 0.000 2.459 656 V HA 1.024 5.144 4.120 -0.000 0.000 0.295 656 V C -0.176 176.037 176.094 0.199 0.000 1.029 656 V CA 0.006 62.483 62.300 0.295 0.000 0.874 656 V CB 1.234 33.230 31.823 0.290 0.000 0.985 656 V HN 1.085 nan 8.190 nan 0.000 0.438 657 A N 4.485 127.432 122.820 0.212 0.000 2.515 657 A HA 0.879 5.199 4.320 -0.000 0.000 0.298 657 A C -1.526 176.191 177.584 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 20.822 19.000 0.089 0.000 1.289 657 A HN 0.871 nan 8.150 nan 0.000 0.404 658 L N 1.490 122.808 121.223 0.158 0.000 2.295 658 L HA 0.581 4.921 4.340 -0.000 0.000 0.281 658 L C -0.631 176.343 176.870 0.173 0.000 1.018 658 L CA 0.263 55.211 54.840 0.180 0.000 0.841 658 L CB 0.420 42.548 42.059 0.116 0.000 1.218 658 L HN 0.760 nan 8.230 nan 0.000 0.424 659 D N 4.478 125.049 120.400 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 1.625 55.772 54.000 0.245 0.000 0.682 659 D CB -1.112 39.803 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 0.376 45.353 45.100 -0.206 0.000 0.623 660 G HN 0.449 nan 8.290 nan 0.000 0.514 661 K N 1.986 122.362 120.400 -0.040 0.000 2.211 661 K HA 0.588 4.908 4.320 -0.000 0.000 0.275 661 K C -2.683 173.917 176.600 0.000 0.000 1.024 661 K CA -2.021 54.248 56.287 -0.030 0.000 0.887 661 K CB 1.921 34.415 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 1.343 122.594 121.223 0.047 0.000 2.685 663 L HA 0.536 4.876 4.340 -0.000 0.000 0.235 663 L C 0.812 177.720 176.870 0.063 0.000 1.070 663 L CA 0.202 55.075 54.840 0.055 0.000 0.888 663 L CB 0.213 42.321 42.059 0.081 0.000 1.203 663 L HN 0.346 nan 8.230 nan 0.000 0.499 664 A N -0.144 122.726 122.820 0.083 0.000 2.577 664 A HA 0.718 5.038 4.320 -0.000 0.000 0.297 664 A C -0.965 176.558 177.584 -0.102 0.000 1.060 664 A CA -0.340 51.744 52.037 0.078 0.000 0.697 664 A CB 1.493 20.665 19.000 0.287 0.000 1.281 664 A HN -0.001 nan 8.150 nan 0.000 0.402 665 S N -0.284 115.128 115.700 -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 2.157 nan 8.310 nan 0.000 0.477 666 G N 0.033 107.702 108.800 -1.884 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 -0.653 43.666 45.100 -1.301 0.000 0.798 666 G HN 0.608 nan 8.290 nan 0.000 0.488 667 E N -1.009 119.008 120.200 -0.306 0.000 2.292 667 E HA 0.626 4.976 4.350 -0.000 0.000 0.272 667 E C -1.344 175.305 176.600 0.082 0.000 0.881 667 E CA -0.650 55.664 56.400 -0.144 0.000 0.754 667 E CB 3.067 32.622 29.700 -0.242 0.000 1.201 667 E HN 0.348 nan 8.360 nan 0.000 0.425 668 V N 3.807 123.819 119.914 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 60.620 62.300 0.161 0.000 0.920 668 V CB 2.214 34.153 31.823 0.193 0.000 1.014 668 V HN 0.569 nan 8.190 nan 0.000 0.425 669 P HA 0.427 nan 4.420 nan 0.000 0.290 669 P C -0.882 176.470 177.300 0.087 0.000 1.276 669 P CA -0.375 62.783 63.100 0.097 0.000 0.808 669 P CB 1.130 32.882 31.700 0.086 0.000 0.966 670 L N 2.740 124.000 121.223 0.062 0.000 2.371 670 L HA 0.300 4.640 4.340 -0.000 0.000 0.272 670 L C 0.439 177.348 176.870 0.065 0.000 1.124 670 L CA 0.373 55.232 54.840 0.032 0.000 0.816 670 L CB 0.396 42.413 42.059 -0.071 0.000 1.129 670 L HN 0.351 nan 8.230 nan 0.000 0.448 671 D N 2.273 122.712 120.400 0.065 0.000 2.517 671 D HA 0.355 4.995 4.640 -0.000 0.000 0.263 671 D C -1.267 175.025 176.300 -0.014 0.000 1.233 671 D CA -0.089 53.985 54.000 0.123 0.000 0.849 671 D CB 0.903 41.821 40.800 0.197 0.000 1.261 671 D HN 0.084 nan 8.370 nan 0.000 0.516 672 V N 0.562 120.323 119.914 -0.256 0.000 2.540 672 V HA 0.901 5.021 4.120 -0.000 0.000 0.302 672 V C 0.645 176.470 176.094 -0.449 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 5.645 128.374 122.820 -0.152 0.000 2.351 673 A HA 0.766 5.086 4.320 -0.000 0.000 0.257 673 A C -2.341 175.255 177.584 0.020 0.000 1.087 673 A CA -1.624 50.423 52.037 0.017 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 -0.487 176.812 177.300 -0.002 0.000 1.183 674 P CA 0.662 63.778 63.100 0.026 0.000 0.761 674 P CB 0.362 32.061 31.700 -0.002 0.000 0.785 675 Q N -0.759 119.029 119.800 -0.020 0.000 2.460 675 Q HA -0.161 4.179 4.340 -0.000 0.000 0.248 675 Q C 0.690 176.686 176.000 -0.006 0.000 0.847 675 Q CA 1.299 57.084 55.803 -0.031 0.000 1.214 675 Q CB -2.212 26.495 28.738 -0.051 0.000 1.523 675 Q HN 0.762 nan 8.270 nan 0.000 0.602 676 G N 0.266 109.075 108.800 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 -0.543 119.881 120.400 0.040 0.000 2.328 677 K HA 0.499 4.819 4.320 -0.000 0.000 0.246 677 K C -0.913 175.720 176.600 0.054 0.000 0.955 677 K CA -0.566 55.748 56.287 0.045 0.000 0.817 677 K CB 2.409 34.930 32.500 0.036 0.000 1.208 677 K HN 0.511 nan 8.250 nan 0.000 0.432 678 Q N 3.112 122.950 119.800 0.063 0.000 2.289 678 Q HA 0.360 4.699 4.340 -0.000 0.000 0.270 678 Q C -1.666 174.375 176.000 0.067 0.000 1.038 678 Q CA -0.629 55.213 55.803 0.066 0.000 0.812 678 Q CB 1.357 30.138 28.738 0.072 0.000 1.300 678 Q HN 0.534 nan 8.270 nan 0.000 0.427 679 L N 5.217 126.471 121.223 0.052 0.000 2.282 679 L HA 0.546 4.886 4.340 -0.000 0.000 0.288 679 L C -0.439 176.452 176.870 0.034 0.000 1.033 679 L CA -0.648 54.215 54.840 0.038 0.000 0.807 679 L CB 1.240 43.311 42.059 0.020 0.000 1.209 679 L HN 0.605 nan 8.230 nan 0.000 0.423 680 I N 3.172 123.757 120.570 0.025 0.000 2.382 680 I HA 0.228 4.398 4.170 -0.000 0.000 0.286 680 I C -0.153 175.935 176.117 -0.049 0.000 1.002 680 I CA -0.680 60.625 61.300 0.008 0.000 1.135 680 I CB 1.900 39.922 38.000 0.037 0.000 1.288 680 I HN 0.485 nan 8.210 nan 0.000 0.448 681 E N 6.792 126.965 120.200 -0.046 0.000 2.180 681 E HA 0.356 4.706 4.350 -0.000 0.000 0.283 681 E C -0.590 175.937 176.600 -0.122 0.000 1.061 681 E CA -0.289 56.065 56.400 -0.075 0.000 0.861 681 E CB 1.293 30.968 29.700 -0.041 0.000 1.056 681 E HN 0.474 nan 8.360 nan 0.000 0.407 682 L N 6.133 127.240 121.223 -0.193 0.000 2.326 682 L HA 0.295 4.635 4.340 -0.000 0.000 0.278 682 L C -1.774 174.982 176.870 -0.189 0.000 1.092 682 L CA -1.824 52.839 54.840 -0.296 0.000 0.810 682 L CB 1.023 42.811 42.059 -0.453 0.000 1.153 682 L HN 0.245 nan 8.230 nan 0.000 0.439 683 P HA -0.022 nan 4.420 nan 0.000 0.270 683 P C -0.472 176.784 177.300 -0.074 0.000 1.223 683 P CA -0.294 62.775 63.100 -0.051 0.000 0.785 683 P CB 0.509 32.237 31.700 0.047 0.000 0.923 684 E N 0.817 120.998 120.200 -0.033 0.000 2.480 684 E HA 0.039 4.389 4.350 -0.000 0.000 0.258 684 E C -0.251 176.339 176.600 -0.017 0.000 0.984 684 E CA 0.014 56.394 56.400 -0.034 0.000 0.930 684 E CB 0.143 29.832 29.700 -0.019 0.000 0.936 684 E HN 0.325 nan 8.360 nan 0.000 0.466 685 L N 6.449 127.649 121.223 -0.039 0.000 2.350 685 L HA 0.303 4.643 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 52.720 54.840 -0.014 0.000 0.808 685 L CB 0.528 42.556 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 -0.196 62.929 63.100 0.042 0.000 0.771 686 P CB 0.529 32.268 31.700 0.064 0.000 0.858 687 Q N 2.215 122.027 119.800 0.020 0.000 2.965 687 Q HA 0.265 4.605 4.340 -0.000 0.000 0.288 687 Q C -2.070 173.940 176.000 0.017 0.000 0.974 687 Q CA -1.505 54.306 55.803 0.013 0.000 0.849 687 Q CB 0.411 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 0.149 63.265 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 -0.122 120.090 120.200 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 0.379 56.791 56.400 0.019 0.000 0.858 689 E CB -0.320 29.390 29.700 0.017 0.000 0.816 689 E HN 0.524 nan 8.360 nan 0.000 0.475 690 S N 1.629 117.345 115.700 0.027 0.000 2.550 690 S HA 0.181 4.651 4.470 -0.000 0.000 0.285 690 S C 0.409 175.031 174.600 0.038 0.000 1.326 690 S CA 0.016 58.235 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 1.569 124.414 122.820 0.042 0.000 2.322 691 A HA 0.792 5.112 4.320 -0.000 0.000 0.269 691 A C 0.888 178.509 177.584 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 18.978 19.000 0.048 0.000 1.047 691 A HN 1.880 nan 8.150 nan 0.000 0.487 692 G N -0.141 108.699 108.800 0.065 0.000 2.346 692 G HA2 0.305 4.265 3.960 -0.000 0.000 0.294 692 G HA3 0.305 4.265 3.960 -0.000 0.000 0.294 692 G C -1.285 173.663 174.900 0.079 0.000 1.294 692 G CA -0.855 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 -0.633 119.248 119.800 0.134 0.000 2.307 693 Q HA 0.620 4.960 4.340 -0.000 0.000 0.262 693 Q C -0.802 175.290 176.000 0.153 0.000 0.961 693 Q CA -0.762 55.082 55.803 0.069 0.000 0.882 693 Q CB 2.353 31.163 28.738 0.120 0.000 1.264 693 Q HN 0.513 nan 8.270 nan 0.000 0.446 694 L N 3.516 124.722 121.223 -0.030 0.000 2.275 694 L HA 0.499 4.839 4.340 -0.000 0.000 0.288 694 L C -1.788 175.046 176.870 -0.061 0.000 1.046 694 L CA 0.058 54.931 54.840 0.055 0.000 0.805 694 L CB 0.497 42.560 42.059 0.006 0.000 1.193 694 L HN 0.569 nan 8.230 nan 0.000 0.426 695 W N 5.446 126.813 121.300 0.111 0.000 2.915 695 W HA 0.565 5.225 4.660 -0.000 0.000 0.337 695 W C -1.117 175.510 176.519 0.179 0.000 1.102 695 W CA -0.679 56.754 57.345 0.148 0.000 1.224 695 W CB 1.726 31.299 29.460 0.188 0.000 1.416 695 W HN 0.292 nan 8.180 nan 0.000 0.503 696 L N 2.987 124.507 121.223 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 0.177 55.282 54.840 0.443 0.000 0.810 696 L CB 1.352 43.618 42.059 0.345 0.000 1.231 696 L HN 0.340 nan 8.230 nan 0.000 0.423 697 T N 4.962 119.756 114.554 0.401 0.000 2.848 697 T HA 0.663 5.013 4.350 -0.000 0.000 0.285 697 T C -0.831 174.045 174.700 0.294 0.000 0.995 697 T CA -0.430 61.852 62.100 0.303 0.000 0.970 697 T CB 1.577 70.561 68.868 0.194 0.000 0.976 697 T HN 0.601 nan 8.240 nan 0.000 0.441 698 V N 1.687 121.727 119.914 0.210 0.000 2.715 698 V HA 0.855 4.975 4.120 -0.000 0.000 0.310 698 V C -0.631 175.520 176.094 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 2.103 122.685 120.500 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 3.724 123.747 119.914 0.182 0.000 2.398 700 V HA 0.443 4.563 4.120 -0.000 0.000 0.286 700 V C -0.426 175.712 176.094 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 33.647 31.823 0.177 0.000 0.982 700 V HN 0.437 nan 8.190 nan 0.000 0.443 701 V N 4.735 124.641 119.914 -0.013 0.000 2.628 701 V HA 0.444 4.564 4.120 -0.000 0.000 0.306 701 V C -0.329 175.789 176.094 0.040 0.000 1.045 701 V CA -0.815 61.460 62.300 -0.042 0.000 0.905 701 V CB 1.982 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 4.525 124.375 119.800 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 54.072 55.803 0.091 0.000 0.891 702 Q CB 1.877 30.691 28.738 0.126 0.000 1.222 702 Q HN 0.488 nan 8.270 nan 0.000 0.483 703 P HA -0.197 nan 4.420 nan 0.000 0.215 703 P C -0.582 176.724 177.300 0.009 0.000 1.157 703 P CA 1.350 64.468 63.100 0.028 0.000 0.868 703 P CB 0.319 32.043 31.700 0.041 0.000 0.788 704 N N -0.873 117.825 118.700 -0.003 0.000 2.456 704 N HA 0.459 5.199 4.740 -0.000 0.000 0.296 704 N C -0.358 175.107 175.510 -0.074 0.000 1.102 704 N CA -0.708 52.325 53.050 -0.028 0.000 0.924 704 N CB 0.872 39.346 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 4.864 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 18.951 19.000 -0.110 0.000 1.047 705 A HN 0.737 nan 8.150 nan 0.000 0.494 706 T N -3.517 110.831 114.554 -0.344 0.000 2.742 706 T HA 0.627 4.977 4.350 -0.000 0.000 0.282 706 T C 0.852 175.360 174.700 -0.320 0.000 1.025 706 T CA 0.071 61.936 62.100 -0.392 0.000 1.020 706 T CB 1.077 69.449 68.868 -0.827 0.000 1.317 706 T HN 1.353 nan 8.240 nan 0.000 0.538 707 A N -0.215 122.491 122.820 -0.189 0.000 2.119 707 A HA 0.161 4.481 4.320 -0.000 0.000 0.217 707 A C 1.572 179.262 177.584 0.175 0.000 1.153 707 A CA 0.789 52.858 52.037 0.054 0.000 0.692 707 A CB -0.805 18.318 19.000 0.205 0.000 0.799 707 A HN 0.897 nan 8.150 nan 0.000 0.458 708 W N -0.761 120.590 121.300 0.085 0.000 2.714 708 W HA 0.412 5.072 4.660 -0.000 0.000 0.353 708 W C -0.132 176.351 176.519 -0.060 0.000 0.999 708 W CA 0.458 57.817 57.345 0.023 0.000 1.629 708 W CB -1.004 28.465 29.460 0.014 0.000 1.106 708 W HN 0.395 nan 8.180 nan 0.000 0.545 709 S N 0.430 115.731 115.700 -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 -0.703 57.118 58.200 -0.631 0.000 0.858 709 S CB 2.767 65.213 63.200 -1.256 0.000 1.114 709 S HN 0.101 nan 8.310 nan 0.000 0.468 710 E N 0.877 120.960 120.200 -0.195 0.000 2.322 710 E HA 0.572 4.922 4.350 -0.000 0.000 0.257 710 E C 0.253 176.814 176.600 -0.065 0.000 1.155 710 E CA -0.885 55.459 56.400 -0.093 0.000 0.936 710 E CB 0.878 30.571 29.700 -0.012 0.000 1.130 710 E HN 0.874 nan 8.360 nan 0.000 0.465 711 A N -0.204 122.594 122.820 -0.037 0.000 2.407 711 A HA 0.451 4.771 4.320 -0.000 0.000 0.248 711 A C 1.034 178.628 177.584 0.017 0.000 1.082 711 A CA 0.536 52.563 52.037 -0.017 0.000 0.785 711 A CB -0.234 18.758 19.000 -0.015 0.000 1.020 711 A HN 0.779 nan 8.150 nan 0.000 0.489 712 G N 0.334 109.150 108.800 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 45.795 45.100 0.019 0.000 0.682 712 G HN 1.611 nan 8.290 nan 0.000 0.522 713 H N 0.450 119.512 119.070 -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 -0.430 55.636 56.048 0.030 0.000 1.444 713 H CB 0.314 30.084 29.762 0.014 0.000 1.458 713 H HN 0.050 nan 8.280 nan 0.000 0.572 714 I N 4.762 125.062 120.570 -0.450 0.000 2.325 714 I HA 0.012 4.182 4.170 -0.000 0.000 0.291 714 I C 1.060 177.059 176.117 -0.195 0.000 1.019 714 I CA 0.153 61.325 61.300 -0.212 0.000 1.302 714 I CB 0.850 38.764 38.000 -0.143 0.000 1.401 714 I HN 0.839 nan 8.210 nan 0.000 0.485 715 S N 4.050 119.848 115.700 0.163 0.000 2.526 715 S HA 0.625 5.095 4.470 -0.000 0.000 0.220 715 S C 0.499 175.366 174.600 0.446 0.000 1.017 715 S CA 0.060 58.483 58.200 0.372 0.000 0.930 715 S CB 0.722 64.250 63.200 0.546 0.000 0.856 715 S HN 0.720 nan 8.310 nan 0.000 0.497 716 A N 0.553 123.673 122.820 0.499 0.000 2.608 716 A HA 0.699 5.019 4.320 -0.000 0.000 0.292 716 A C -1.788 176.175 177.584 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 0.538 0.000 1.277 716 A HN 0.914 nan 8.150 nan 0.000 0.413 717 W N -0.453 121.009 121.300 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 30.611 29.460 -0.027 0.000 1.467 717 W HN 1.069 nan 8.180 nan 0.000 0.578 718 Q N 1.447 121.283 119.800 0.060 0.000 2.617 718 Q HA 0.334 4.674 4.340 -0.000 0.000 0.270 718 Q C -1.759 174.013 176.000 -0.379 0.000 0.967 718 Q CA -0.591 55.064 55.803 -0.247 0.000 0.887 718 Q CB 2.149 30.569 28.738 -0.531 0.000 1.516 718 Q HN 0.670 nan 8.270 nan 0.000 0.395 719 Q N 2.539 122.053 119.800 -0.477 0.000 2.416 719 Q HA 0.727 5.067 4.340 -0.000 0.000 0.281 719 Q C -1.460 174.396 176.000 -0.240 0.000 1.067 719 Q CA -0.591 55.100 55.803 -0.186 0.000 0.809 719 Q CB 1.743 30.564 28.738 0.138 0.000 1.418 719 Q HN 0.629 nan 8.270 nan 0.000 0.411 720 W N 2.002 123.494 121.300 0.320 0.000 3.032 720 W HA 0.463 5.123 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 0.176 0.000 1.204 720 W CB 2.082 31.584 29.460 0.069 0.000 1.416 720 W HN 0.683 nan 8.180 nan 0.000 0.521 721 R N 2.262 122.645 120.500 -0.195 0.000 2.216 721 R HA 0.284 4.624 4.340 -0.000 0.000 0.332 721 R C 0.745 176.832 176.300 -0.355 0.000 1.056 721 R CA -0.048 55.551 56.100 -0.835 0.000 0.901 721 R CB 0.555 30.160 30.300 -1.159 0.000 1.039 721 R HN 0.600 nan 8.270 nan 0.000 0.456 722 L N 2.963 124.016 121.223 -0.285 0.000 2.202 722 L HA 0.304 4.644 4.340 -0.000 0.000 0.205 722 L C 0.719 177.494 176.870 -0.159 0.000 1.083 722 L CA 0.592 55.340 54.840 -0.153 0.000 0.790 722 L CB 0.059 42.071 42.059 -0.079 0.000 0.942 722 L HN 0.704 nan 8.230 nan 0.000 0.452 723 A N -0.466 122.238 122.820 -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 1.710 20.663 19.000 -0.079 0.000 1.283 723 A HN 0.008 nan 8.150 nan 0.000 0.430 724 E N 0.540 120.684 120.200 -0.092 0.000 2.291 724 E HA 0.400 4.750 4.350 -0.000 0.000 0.276 724 E C -1.769 174.815 176.600 -0.026 0.000 0.896 724 E CA -0.607 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 5.090 123.788 118.700 -0.003 0.000 2.476 725 N HA 0.292 5.032 4.740 -0.000 0.000 0.257 725 N C -0.449 175.072 175.510 0.019 0.000 0.970 725 N CA -0.361 52.694 53.050 0.008 0.000 0.938 725 N CB 1.333 39.828 38.487 0.015 0.000 1.144 725 N HN 0.496 nan 8.380 nan 0.000 0.500 726 L N 0.877 122.110 121.223 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 55.040 54.840 0.026 0.000 0.846 726 L CB 0.589 42.661 42.059 0.022 0.000 1.111 726 L HN 0.382 nan 8.230 nan 0.000 0.475 727 S N 1.727 117.451 115.700 0.041 0.000 2.439 727 S HA 0.255 4.725 4.470 -0.000 0.000 0.282 727 S C 0.344 174.966 174.600 0.037 0.000 1.170 727 S CA -0.900 57.325 58.200 0.041 0.000 1.054 727 S CB 0.605 63.835 63.200 0.050 0.000 0.956 727 S HN 0.421 nan 8.310 nan 0.000 0.490 728 V N 3.076 123.009 119.914 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 -0.293 62.024 62.300 0.028 0.000 1.333 728 V CB -1.040 30.796 31.823 0.023 0.000 1.331 728 V HN 0.821 nan 8.190 nan 0.000 0.527 729 T N -0.428 114.145 114.554 0.032 0.000 2.918 729 T HA 0.804 5.154 4.350 -0.000 0.000 0.286 729 T C -0.621 174.098 174.700 0.031 0.000 1.026 729 T CA -0.735 61.383 62.100 0.030 0.000 1.031 729 T CB 2.082 70.968 68.868 0.029 0.000 1.046 729 T HN 0.271 nan 8.240 nan 0.000 0.479 730 L N 3.064 124.303 121.223 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 0.517 42.589 42.059 0.021 0.000 1.223 730 L HN 0.577 nan 8.230 nan 0.000 0.421 731 P HA 0.331 nan 4.420 nan 0.000 0.271 731 P C -0.501 176.805 177.300 0.010 0.000 1.216 731 P CA -0.406 62.705 63.100 0.017 0.000 0.776 731 P CB 1.092 32.803 31.700 0.018 0.000 0.881 732 A N 2.501 125.323 122.820 0.003 0.000 2.313 732 A HA 0.563 4.883 4.320 -0.000 0.000 0.261 732 A C 0.565 178.134 177.584 -0.025 0.000 1.090 732 A CA -0.173 51.864 52.037 -0.001 0.000 0.807 732 A CB -0.264 18.740 19.000 0.007 0.000 1.055 732 A HN 0.745 nan 8.150 nan 0.000 0.492 733 A N 0.825 123.635 122.820 -0.015 0.000 2.547 733 A HA 0.467 4.787 4.320 -0.000 0.000 0.233 733 A C 0.837 178.322 177.584 -0.166 0.000 1.067 733 A CA 0.578 52.596 52.037 -0.031 0.000 0.763 733 A CB -0.522 18.504 19.000 0.042 0.000 1.007 733 A HN 1.671 nan 8.150 nan 0.000 0.506 734 S N 0.377 115.986 115.700 -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 0.895 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 -0.100 118.982 119.070 0.020 0.000 2.586 735 H HA 0.634 5.190 4.556 -0.000 0.000 0.273 735 H C 0.493 175.829 175.328 0.014 0.000 0.997 735 H CA 0.464 56.521 56.048 0.015 0.000 1.177 735 H CB 0.063 29.832 29.762 0.013 0.000 1.471 735 H HN 0.802 nan 8.280 nan 0.000 0.538 736 A N 0.789 123.661 122.820 0.087 0.000 2.599 736 A HA 0.622 4.942 4.320 -0.000 0.000 0.290 736 A C -0.911 176.699 177.584 0.043 0.000 1.101 736 A CA -0.754 51.322 52.037 0.066 0.000 0.674 736 A CB 1.327 20.369 19.000 0.069 0.000 1.277 736 A HN 0.192 nan 8.150 nan 0.000 0.419 737 I N -1.977 118.620 120.570 0.045 0.000 3.002 737 I HA 0.838 5.008 4.170 -0.000 0.000 0.310 737 I C -2.868 173.291 176.117 0.069 0.000 1.087 737 I CA -2.755 58.569 61.300 0.040 0.000 1.017 737 I CB 2.108 40.122 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 63.366 63.100 0.106 0.000 0.789 738 P CB 0.207 31.934 31.700 0.045 0.000 0.951 739 H N 1.461 120.563 119.070 0.054 0.000 2.539 739 H HA 0.389 4.945 4.556 -0.000 0.000 0.332 739 H C -0.988 174.370 175.328 0.050 0.000 1.031 739 H CA -1.049 55.023 56.048 0.040 0.000 1.206 739 H CB 0.944 30.731 29.762 0.042 0.000 1.446 739 H HN 0.206 nan 8.280 nan 0.000 0.496 740 L N 4.243 125.341 121.223 -0.207 0.000 2.421 740 L HA 0.370 4.710 4.340 -0.000 0.000 0.263 740 L C -0.600 176.079 176.870 -0.318 0.000 1.122 740 L CA 0.277 54.980 54.840 -0.228 0.000 0.804 740 L CB 1.657 43.646 42.059 -0.117 0.000 1.150 740 L HN 0.704 nan 8.230 nan 0.000 0.457 741 T N 2.289 116.765 114.554 -0.130 0.000 3.483 741 T HA 0.292 4.642 4.350 -0.000 0.000 0.329 741 T C -0.943 173.814 174.700 0.094 0.000 1.014 741 T CA -0.434 61.634 62.100 -0.053 0.000 1.056 741 T CB 0.907 69.723 68.868 -0.087 0.000 1.090 741 T HN 0.714 nan 8.240 nan 0.000 0.460 742 T N 2.888 117.517 114.554 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 1.411 70.422 68.868 0.239 0.000 0.932 742 T HN 0.569 nan 8.240 nan 0.000 0.469 743 S N 1.781 117.515 115.700 0.056 0.000 2.837 743 S HA 0.431 4.901 4.470 -0.000 0.000 0.314 743 S C 0.916 175.493 174.600 -0.038 0.000 1.098 743 S CA -0.614 57.589 58.200 0.005 0.000 0.903 743 S CB 1.577 64.777 63.200 0.000 0.000 1.310 743 S HN 0.728 nan 8.310 nan 0.000 0.581 744 E N -0.613 119.559 120.200 -0.047 0.000 2.216 744 E HA 0.101 4.451 4.350 -0.000 0.000 0.192 744 E C 1.533 178.063 176.600 -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 1.008 120.550 119.600 -0.097 0.000 2.476 745 M HA 0.107 4.587 4.480 -0.000 0.000 0.262 745 M C -0.174 176.044 176.300 -0.136 0.000 1.111 745 M CA 0.804 56.048 55.300 -0.092 0.000 1.127 745 M CB -0.522 32.055 32.600 -0.038 0.000 1.376 745 M HN 0.023 nan 8.290 nan 0.000 0.465 746 D N -1.715 118.583 120.400 -0.170 0.000 2.692 746 D HA 0.472 5.112 4.640 -0.000 0.000 0.290 746 D C -1.061 175.130 176.300 -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 -0.056 nan 8.370 nan 0.000 0.432 750 E N 4.463 124.796 120.200 0.222 0.000 2.317 750 E HA 0.811 5.161 4.350 -0.000 0.000 0.270 750 E C -1.876 174.893 176.600 0.281 0.000 0.885 750 E CA -0.728 55.814 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 4.469 125.853 121.223 0.270 0.000 2.673 751 L HA 0.513 4.853 4.340 -0.000 0.000 0.255 751 L C -0.103 176.848 176.870 0.135 0.000 1.015 751 L CA 0.741 55.720 54.840 0.231 0.000 0.930 751 L CB 0.793 43.038 42.059 0.311 0.000 1.185 751 L HN 0.802 nan 8.230 nan 0.000 0.457 752 G N 3.519 112.367 108.800 0.080 0.000 2.509 752 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.256 752 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.256 752 G C 0.554 175.451 174.900 -0.004 0.000 1.152 752 G CA 0.403 45.523 45.100 0.035 0.000 0.951 752 G HN 0.874 nan 8.290 nan 0.000 0.559 753 N N 1.191 119.872 118.700 -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 1.410 54.423 53.050 -0.062 0.000 0.881 753 N CB -0.206 38.247 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 -0.370 0.000 0.969 754 K CB 1.035 33.237 32.500 -0.498 0.000 0.954 754 K HN 0.066 nan 8.250 nan 0.000 0.474 755 R N 1.861 122.066 120.500 -0.491 0.000 2.698 755 R HA 0.400 4.740 4.340 -0.000 0.000 0.275 755 R C -1.558 174.648 176.300 -0.156 0.000 1.001 755 R CA -0.667 55.337 56.100 -0.159 0.000 0.896 755 R CB 1.484 31.747 30.300 -0.061 0.000 1.218 755 R HN 0.592 nan 8.270 nan 0.000 0.462 756 W N 2.841 124.252 121.300 0.184 0.000 2.883 756 W HA 0.328 4.988 4.660 -0.000 0.000 0.335 756 W C -0.754 175.852 176.519 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 2.599 122.544 119.800 0.243 0.000 2.340 757 Q HA 0.488 4.828 4.340 -0.000 0.000 0.268 757 Q C -1.994 173.949 176.000 -0.094 0.000 1.031 757 Q CA -0.516 55.414 55.803 0.212 0.000 0.804 757 Q CB 1.843 30.775 28.738 0.323 0.000 1.286 757 Q HN 0.368 nan 8.270 nan 0.000 0.448 758 F N 2.766 122.804 119.950 0.148 0.000 2.426 758 F HA 0.318 4.845 4.527 -0.000 0.000 0.348 758 F C 0.610 176.425 175.800 0.025 0.000 1.124 758 F CA -0.788 57.266 58.000 0.089 0.000 1.008 758 F CB 1.373 40.452 39.000 0.132 0.000 1.139 758 F HN 0.510 nan 8.300 nan 0.000 0.452 759 N N 3.473 122.261 118.700 0.147 0.000 2.497 759 N HA 0.077 4.817 4.740 -0.000 0.000 0.268 759 N C 0.924 176.427 175.510 -0.012 0.000 1.171 759 N CA 0.025 53.109 53.050 0.056 0.000 0.948 759 N CB 0.792 39.322 38.487 0.073 0.000 1.069 759 N HN 0.708 nan 8.380 nan 0.000 0.460 760 R N 1.999 122.413 120.500 -0.144 0.000 2.276 760 R HA -0.029 4.311 4.340 -0.000 0.000 0.203 760 R C 1.220 177.440 176.300 -0.133 0.000 1.017 760 R CA 0.978 56.932 56.100 -0.243 0.000 1.010 760 R CB 0.311 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 -0.827 118.930 119.800 -0.071 0.000 2.373 761 Q HA 0.034 4.374 4.340 -0.000 0.000 0.210 761 Q C 1.830 177.814 176.000 -0.026 0.000 0.913 761 Q CA 1.147 56.923 55.803 -0.046 0.000 0.911 761 Q CB 0.483 29.208 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 1.595 176.100 174.600 -0.157 0.000 1.024 762 S CA 0.543 58.764 58.200 0.035 0.000 0.931 762 S CB 0.317 63.648 63.200 0.220 0.000 0.791 762 S HN 0.489 nan 8.310 nan 0.000 0.513 763 G N 0.561 109.295 108.800 -0.110 0.000 2.143 763 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.248 763 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.248 763 G C -0.129 174.685 174.900 -0.143 0.000 0.991 763 G CA 0.325 45.347 45.100 -0.131 0.000 0.689 763 G HN 0.539 nan 8.290 nan 0.000 0.522 764 F N -1.319 118.816 119.950 0.309 0.000 2.538 764 F HA 0.642 5.169 4.527 -0.000 0.000 0.325 764 F C 0.499 176.328 175.800 0.048 0.000 1.066 764 F CA -1.464 56.680 58.000 0.241 0.000 0.946 764 F CB 1.550 40.641 39.000 0.152 0.000 1.199 764 F HN 0.028 nan 8.300 nan 0.000 0.473 765 L N 1.805 123.087 121.223 0.099 0.000 2.530 765 L HA 0.183 4.523 4.340 -0.000 0.000 0.273 765 L C 0.601 177.369 176.870 -0.171 0.000 1.141 765 L CA 0.829 55.358 54.840 -0.518 0.000 0.905 765 L CB 0.411 42.167 42.059 -0.505 0.000 1.202 765 L HN 0.642 nan 8.230 nan 0.000 0.473 766 S N 2.472 118.068 115.700 -0.174 0.000 2.470 766 S HA 0.141 4.611 4.470 -0.000 0.000 0.222 766 S C 0.276 174.773 174.600 -0.172 0.000 1.024 766 S CA 0.324 58.474 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 -0.128 119.517 119.800 -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 1.253 29.615 28.738 -0.627 0.000 1.476 767 Q HN 0.239 nan 8.270 nan 0.000 0.402 768 M N 0.869 120.014 119.600 -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 34.132 32.600 -0.504 0.000 1.715 768 M HN 0.541 nan 8.290 nan 0.000 0.478 769 W N 3.947 125.025 121.300 -0.371 0.000 2.761 769 W HA 0.674 5.334 4.660 -0.000 0.000 0.340 769 W C -1.398 174.916 176.519 -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 0.578 nan 8.180 nan 0.000 0.519 770 I N 2.767 123.341 120.570 0.007 0.000 2.448 770 I HA 0.401 4.571 4.170 -0.000 0.000 0.281 770 I C 0.728 176.838 176.117 -0.011 0.000 1.027 770 I CA 0.135 61.390 61.300 -0.074 0.000 1.111 770 I CB 1.082 39.009 38.000 -0.121 0.000 1.236 770 I HN 0.728 nan 8.210 nan 0.000 0.452 771 G N 5.839 114.627 108.800 -0.019 0.000 2.523 771 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.271 771 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.271 771 G C 0.249 175.169 174.900 0.034 0.000 1.146 771 G CA 0.457 45.550 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 0.233 4.873 4.640 -0.000 0.000 0.213 772 D C 0.623 177.062 176.300 0.232 0.000 1.130 772 D CA 0.132 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 1.162 121.660 120.400 0.162 0.000 2.248 773 K HA 0.272 4.592 4.320 -0.000 0.000 0.281 773 K C -0.026 176.545 176.600 -0.048 0.000 1.054 773 K CA -0.443 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 0.752 177.161 176.600 -0.318 0.000 1.018 774 K CA -0.191 55.792 56.287 -0.506 0.000 0.962 774 K CB 0.802 33.043 32.500 -0.431 0.000 0.953 774 K HN 0.443 nan 8.250 nan 0.000 0.475 775 Q N 1.367 120.950 119.800 -0.362 0.000 2.350 775 Q HA 0.194 4.534 4.340 -0.000 0.000 0.225 775 Q C 0.044 175.959 176.000 -0.140 0.000 0.878 775 Q CA 0.432 56.141 55.803 -0.158 0.000 0.935 775 Q CB 0.522 29.233 28.738 -0.046 0.000 1.099 775 Q HN 0.492 nan 8.270 nan 0.000 0.527 776 L N 0.547 121.627 121.223 -0.238 0.000 2.354 776 L HA 0.413 4.753 4.340 -0.000 0.000 0.269 776 L C 0.821 177.566 176.870 -0.209 0.000 1.005 776 L CA -0.469 54.258 54.840 -0.188 0.000 0.819 776 L CB 1.712 43.664 42.059 -0.178 0.000 1.311 776 L HN -0.115 nan 8.230 nan 0.000 0.423 777 L N -0.256 120.838 121.223 -0.215 0.000 2.513 777 L HA 0.275 4.615 4.340 -0.000 0.000 0.222 777 L C 0.325 177.082 176.870 -0.188 0.000 1.096 777 L CA 0.575 55.293 54.840 -0.204 0.000 0.857 777 L CB 0.260 42.186 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 4.766 4.350 -0.000 0.000 0.305 778 T C -2.652 171.980 174.700 -0.114 0.000 1.119 778 T CA -1.055 60.958 62.100 -0.145 0.000 1.008 778 T CB 2.711 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 -0.751 62.319 63.100 -0.051 0.000 0.788 779 P CB 0.437 32.136 31.700 -0.000 0.000 0.949 780 L N 3.336 124.552 121.223 -0.011 0.000 2.313 780 L HA 0.305 4.645 4.340 -0.000 0.000 0.282 780 L C 0.439 177.218 176.870 -0.152 0.000 1.092 780 L CA 0.498 55.347 54.840 0.016 0.000 0.831 780 L CB -0.523 41.658 42.059 0.203 0.000 1.159 780 L HN 0.415 nan 8.230 nan 0.000 0.442 781 R N 2.187 122.540 120.500 -0.245 0.000 2.764 781 R HA 0.520 4.860 4.340 -0.000 0.000 0.270 781 R C -1.192 174.957 176.300 -0.250 0.000 1.014 781 R CA -1.049 54.787 56.100 -0.439 0.000 0.904 781 R CB 0.527 30.268 30.300 -0.932 0.000 1.236 781 R HN 0.414 nan 8.270 nan 0.000 0.466 782 D N 1.054 121.340 120.400 -0.189 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 -0.661 0.000 1.133 782 D CA 0.464 54.217 54.000 -0.413 0.000 0.890 782 D CB 0.687 41.222 40.800 -0.442 0.000 1.201 782 D HN 0.313 nan 8.370 nan 0.000 0.432 783 Q N 1.238 120.457 119.800 -0.968 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 -0.860 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 0.635 120.223 119.950 -0.603 0.000 2.729 784 F HA 0.201 4.728 4.527 -0.000 0.000 0.315 784 F C 0.575 175.971 175.800 -0.673 0.000 1.102 784 F CA -0.217 57.334 58.000 -0.750 0.000 1.204 784 F CB 1.554 39.858 39.000 -1.160 0.000 1.052 784 F HN 0.455 nan 8.300 nan 0.000 0.551 785 T N -0.885 113.392 114.554 -0.461 0.000 2.907 785 T HA 0.760 5.110 4.350 -0.000 0.000 0.290 785 T C -0.599 173.862 174.700 -0.399 0.000 1.066 785 T CA -0.976 60.774 62.100 -0.585 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 -0.188 120.115 120.500 -0.329 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 -1.184 54.852 56.100 -0.106 0.000 0.908 786 R CB 1.588 31.835 30.300 -0.088 0.000 1.213 786 R HN 0.832 nan 8.270 nan 0.000 0.468 787 A N 3.837 126.696 122.820 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 -1.369 50.708 52.037 0.067 0.000 0.797 787 A CB -0.486 18.498 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 -0.269 177.130 177.300 0.164 0.000 1.175 788 P CA 0.558 63.807 63.100 0.249 0.000 0.761 788 P CB 0.314 32.193 31.700 0.298 0.000 0.794 789 L N 2.205 123.497 121.223 0.115 0.000 2.454 789 L HA 0.236 4.576 4.340 -0.000 0.000 0.256 789 L C 1.838 178.720 176.870 0.019 0.000 1.136 789 L CA -0.628 54.221 54.840 0.014 0.000 0.804 789 L CB 0.028 42.028 42.059 -0.099 0.000 1.181 789 L HN 0.275 nan 8.230 nan 0.000 0.469 790 D N 0.327 120.681 120.400 -0.076 0.000 2.123 790 D HA -0.162 4.478 4.640 -0.000 0.000 0.196 790 D C 1.596 177.825 176.300 -0.118 0.000 0.992 790 D CA 1.446 55.333 54.000 -0.188 0.000 0.833 790 D CB 0.033 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 1.006 119.653 118.700 -0.089 0.000 2.309 791 N HA -0.106 4.633 4.740 -0.000 0.000 0.182 791 N C 1.091 176.617 175.510 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 0.136 120.562 120.400 0.044 0.000 2.277 792 D HA 0.062 4.702 4.640 -0.000 0.000 0.208 792 D C 1.874 178.228 176.300 0.089 0.000 0.962 792 D CA 0.348 54.410 54.000 0.102 0.000 0.865 792 D CB 0.276 41.194 40.800 0.196 0.000 0.939 792 D HN 0.340 nan 8.370 nan 0.000 0.510 793 I N -0.228 120.380 120.570 0.062 0.000 2.628 793 I HA 0.097 4.267 4.170 -0.000 0.000 0.255 793 I C 1.852 178.002 176.117 0.055 0.000 1.119 793 I CA 0.538 61.867 61.300 0.048 0.000 1.448 793 I CB -0.138 37.869 38.000 0.012 0.000 1.133 793 I HN 0.048 nan 8.210 nan 0.000 0.438 794 G N 1.633 110.480 108.800 0.079 0.000 2.596 794 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.304 794 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.304 794 G C 0.686 175.759 174.900 0.289 0.000 1.189 794 G CA 0.948 46.159 45.100 0.184 0.000 0.986 794 G HN 0.572 nan 8.290 nan 0.000 0.548 795 V N -2.176 117.849 119.914 0.185 0.000 3.271 795 V HA 0.688 4.808 4.120 -0.000 0.000 0.327 795 V C 0.980 177.096 176.094 0.037 0.000 1.389 795 V CA 1.039 63.398 62.300 0.098 0.000 1.156 795 V CB 0.339 32.121 31.823 -0.069 0.000 1.103 795 V HN 1.281 nan 8.190 nan 0.000 0.453 796 S N 1.349 117.074 115.700 0.043 0.000 2.498 796 S HA 0.332 4.802 4.470 -0.000 0.000 0.281 796 S C -0.086 174.529 174.600 0.024 0.000 1.265 796 S CA 0.063 58.273 58.200 0.016 0.000 1.071 796 S CB 0.357 63.564 63.200 0.011 0.000 0.894 796 S HN 0.799 nan 8.310 nan 0.000 0.491 797 E N 2.451 122.658 120.200 0.012 0.000 2.235 797 E HA 0.661 5.011 4.350 -0.000 0.000 0.265 797 E C 0.737 177.349 176.600 0.020 0.000 0.940 797 E CA -0.292 56.121 56.400 0.021 0.000 0.819 797 E CB 1.333 31.040 29.700 0.011 0.000 1.206 797 E HN 0.639 nan 8.360 nan 0.000 0.409 798 A N 0.983 123.821 122.820 0.030 0.000 1.972 798 A HA -0.186 4.134 4.320 -0.000 0.000 0.219 798 A C 2.056 179.652 177.584 0.020 0.000 1.169 798 A CA 2.332 54.386 52.037 0.029 0.000 0.635 798 A CB -0.924 18.098 19.000 0.038 0.000 0.810 798 A HN 0.700 nan 8.150 nan 0.000 0.446 799 T N -2.570 111.995 114.554 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 0.921 63.026 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 1.134 121.631 120.500 -0.006 0.000 2.402 800 R HA 0.442 4.782 4.340 -0.000 0.000 0.290 800 R C -0.755 175.534 176.300 -0.018 0.000 1.321 800 R CA -0.513 55.577 56.100 -0.018 0.000 1.283 800 R CB 0.174 30.455 30.300 -0.032 0.000 1.111 800 R HN 0.439 nan 8.270 nan 0.000 0.578 801 I N 2.233 122.795 120.570 -0.013 0.000 2.648 801 I HA -0.067 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 0.548 61.840 61.300 -0.013 0.000 1.426 801 I CB 0.728 38.723 38.000 -0.008 0.000 1.381 801 I HN 0.431 nan 8.210 nan 0.000 0.571 802 D N 9.402 129.785 120.400 -0.029 0.000 2.472 802 D HA 0.262 4.902 4.640 -0.000 0.000 0.234 802 D C -1.677 174.583 176.300 -0.065 0.000 1.088 802 D CA -2.304 51.669 54.000 -0.044 0.000 0.882 802 D CB 1.352 42.130 40.800 -0.036 0.000 1.037 802 D HN 0.154 nan 8.370 nan 0.000 0.520 803 P HA -0.079 nan 4.420 nan 0.000 0.226 803 P C 0.489 177.695 177.300 -0.156 0.000 1.146 803 P CA 0.697 63.739 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 -0.457 118.144 118.700 -0.164 0.000 2.373 804 N HA 0.081 4.821 4.740 -0.000 0.000 0.181 804 N C 0.804 176.114 175.510 -0.333 0.000 1.082 804 N CA 0.074 52.974 53.050 -0.249 0.000 0.885 804 N CB 0.021 38.387 38.487 -0.201 0.000 0.977 804 N HN 0.083 nan 8.380 nan 0.000 0.462 805 A N 0.352 123.038 122.820 -0.223 0.000 2.498 805 A HA 0.028 4.348 4.320 -0.000 0.000 0.239 805 A C 0.776 178.164 177.584 -0.326 0.000 1.068 805 A CA -0.326 51.590 52.037 -0.202 0.000 0.766 805 A CB 0.003 18.957 19.000 -0.077 0.000 1.003 805 A HN 0.319 nan 8.150 nan 0.000 0.497 806 W N 1.868 122.920 121.300 -0.414 0.000 2.302 806 W HA -0.219 4.441 4.660 -0.000 0.000 0.320 806 W C 2.248 178.188 176.519 -0.966 0.000 1.241 806 W CA 1.942 58.774 57.345 -0.854 0.000 1.264 806 W CB -0.422 28.419 29.460 -1.031 0.000 1.154 806 W HN 0.558 nan 8.180 nan 0.000 0.483 807 V N 0.771 120.556 119.914 -0.216 0.000 2.392 807 V HA -0.285 3.835 4.120 -0.000 0.000 0.249 807 V C 2.210 178.380 176.094 0.126 0.000 1.059 807 V CA 2.175 64.566 62.300 0.152 0.000 1.051 807 V CB -0.409 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 0.032 120.219 120.200 -0.021 0.000 2.106 808 E HA -0.160 4.190 4.350 -0.000 0.000 0.192 808 E C 2.362 178.933 176.600 -0.047 0.000 0.984 808 E CA 1.147 57.535 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 -0.390 120.002 120.500 -0.179 0.000 2.090 809 R HA -0.085 4.255 4.340 -0.000 0.000 0.228 809 R C 2.226 178.480 176.300 -0.077 0.000 1.110 809 R CA 0.840 56.819 56.100 -0.201 0.000 0.973 809 R CB -0.212 29.844 30.300 -0.406 0.000 0.869 809 R HN 0.264 nan 8.270 nan 0.000 0.440 810 W N 1.866 123.140 121.300 -0.044 0.000 2.381 810 W HA -0.003 4.657 4.660 -0.000 0.000 0.301 810 W C 2.006 178.492 176.519 -0.055 0.000 1.205 810 W CA 0.365 57.580 57.345 -0.216 0.000 1.285 810 W CB -0.602 28.841 29.460 -0.028 0.000 1.133 810 W HN 0.082 nan 8.180 nan 0.000 0.521 811 K N 0.154 120.802 120.400 0.412 0.000 2.009 811 K HA -0.140 4.180 4.320 -0.000 0.000 0.210 811 K C 2.190 178.880 176.600 0.151 0.000 1.049 811 K CA 1.904 58.392 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 0.956 123.832 122.820 0.093 0.000 2.070 812 A HA -0.077 4.243 4.320 -0.000 0.000 0.220 812 A C 2.114 179.725 177.584 0.046 0.000 1.159 812 A CA 1.740 53.812 52.037 0.058 0.000 0.656 812 A CB -0.408 18.608 19.000 0.027 0.000 0.800 812 A HN 0.369 nan 8.150 nan 0.000 0.453 813 A N -1.935 120.892 122.820 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 1.172 53.228 52.037 0.031 0.000 0.804 813 A CB -0.734 18.259 19.000 -0.012 0.000 0.834 813 A HN 1.840 nan 8.150 nan 0.000 0.482 814 G N -1.413 107.282 108.800 -0.175 0.000 2.132 814 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.234 814 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.234 814 G C 0.543 175.414 174.900 -0.048 0.000 0.989 814 G CA 0.617 45.394 45.100 -0.538 0.000 0.676 814 G HN 0.737 nan 8.290 nan 0.000 0.522 815 H N -1.507 117.535 119.070 -0.047 0.000 2.387 815 H HA -0.087 4.469 4.556 -0.000 0.000 0.299 815 H C 2.174 177.464 175.328 -0.064 0.000 1.099 815 H CA 1.575 57.594 56.048 -0.048 0.000 1.315 815 H CB 0.104 29.762 29.762 -0.174 0.000 1.380 815 H HN 0.621 nan 8.280 nan 0.000 0.513 816 Y N 0.791 121.201 120.300 0.184 0.000 2.516 816 Y HA -0.098 4.452 4.550 -0.000 0.000 0.291 816 Y C 1.935 177.904 175.900 0.115 0.000 1.131 816 Y CA 0.654 58.826 58.100 0.120 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 -0.490 119.446 119.800 0.228 0.000 2.110 817 Q HA 0.466 4.806 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 1.246 124.235 122.820 0.281 0.000 2.386 818 A HA 0.311 4.631 4.320 -0.000 0.000 0.248 818 A C -0.119 177.726 177.584 0.436 0.000 1.082 818 A CA -0.181 52.080 52.037 0.373 0.000 0.789 818 A CB 0.481 19.725 19.000 0.408 0.000 1.025 818 A HN 0.289 nan 8.150 nan 0.000 0.490 819 E N 0.781 121.183 120.200 0.336 0.000 2.134 819 E HA 0.469 4.819 4.350 -0.000 0.000 0.278 819 E C -0.136 176.441 176.600 -0.040 0.000 0.959 819 E CA -0.208 56.303 56.400 0.185 0.000 0.783 819 E CB 1.695 31.473 29.700 0.131 0.000 1.095 819 E HN 0.717 nan 8.360 nan 0.000 0.399 820 A N 2.464 125.146 122.820 -0.230 0.000 2.401 820 A HA 0.578 4.898 4.320 -0.000 0.000 0.259 820 A C -0.172 177.251 177.584 -0.268 0.000 1.103 820 A CA -0.127 51.499 52.037 -0.685 0.000 0.789 820 A CB 0.477 19.096 19.000 -0.636 0.000 1.035 820 A HN 0.546 nan 8.150 nan 0.000 0.491 821 A N 2.320 124.980 122.820 -0.267 0.000 2.343 821 A HA 0.579 4.899 4.320 -0.000 0.000 0.308 821 A C -0.641 176.870 177.584 -0.121 0.000 1.092 821 A CA -0.552 51.416 52.037 -0.116 0.000 0.751 821 A CB 0.732 19.686 19.000 -0.077 0.000 1.203 821 A HN 1.328 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 0.320 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 3.637 124.719 121.223 -0.235 0.000 2.470 823 L HA 0.288 4.628 4.340 -0.000 0.000 0.219 823 L C 0.290 177.092 176.870 -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 -0.370 119.333 119.800 -0.163 0.000 2.468 824 Q HA 0.259 4.599 4.340 -0.000 0.000 0.263 824 Q C -1.890 174.052 176.000 -0.097 0.000 0.979 824 Q CA -0.646 55.099 55.803 -0.097 0.000 0.932 824 Q CB 2.403 31.113 28.738 -0.048 0.000 1.462 824 Q HN 0.024 nan 8.270 nan 0.000 0.403 825 C N 3.545 122.828 119.300 -0.028 0.000 2.919 825 C HA 0.727 5.187 4.460 -0.000 0.000 0.337 825 C C -0.670 174.409 174.990 0.147 0.000 1.039 825 C CA 0.604 59.651 59.018 0.048 0.000 1.373 825 C CB 0.359 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 2.539 117.123 114.554 0.050 0.000 2.912 826 T HA 0.885 5.235 4.350 -0.000 0.000 0.288 826 T C -0.352 174.181 174.700 -0.279 0.000 1.030 826 T CA -0.143 61.931 62.100 -0.044 0.000 1.020 826 T CB 1.906 70.746 68.868 -0.047 0.000 1.056 826 T HN 1.702 nan 8.240 nan 0.000 0.480 827 A N 2.191 124.726 122.820 -0.475 0.000 2.393 827 A HA 0.758 5.078 4.320 -0.000 0.000 0.306 827 A C -1.188 176.173 177.584 -0.372 0.000 1.050 827 A CA -0.740 50.917 52.037 -0.635 0.000 0.724 827 A CB 1.415 19.643 19.000 -1.286 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 -1.149 175.067 176.300 -0.140 0.000 1.183 828 D CA -0.009 53.888 54.000 -0.171 0.000 0.844 828 D CB 2.474 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 1.435 115.932 114.554 -0.096 0.000 2.772 829 T HA 0.467 4.817 4.350 -0.000 0.000 0.288 829 T C 0.171 174.843 174.700 -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 0.705 5.044 4.340 -0.000 0.000 0.262 830 L C 1.732 178.591 176.870 -0.019 0.000 1.072 830 L CA -0.411 54.411 54.840 -0.031 0.000 0.798 830 L CB 0.154 42.193 42.059 -0.033 0.000 1.307 830 L HN 0.708 nan 8.230 nan 0.000 0.475 831 A N -0.665 122.148 122.820 -0.013 0.000 2.016 831 A HA -0.052 4.268 4.320 -0.000 0.000 0.217 831 A C 0.996 178.578 177.584 -0.003 0.000 1.162 831 A CA 1.476 53.510 52.037 -0.005 0.000 0.662 831 A CB -0.635 18.364 19.000 -0.002 0.000 0.812 831 A HN 0.853 nan 8.150 nan 0.000 0.450 832 D N -1.742 118.653 120.400 -0.008 0.000 2.441 832 D HA 0.541 5.181 4.640 -0.000 0.000 0.210 832 D C 0.402 176.692 176.300 -0.016 0.000 1.102 832 D CA 0.754 54.750 54.000 -0.007 0.000 0.840 832 D CB 0.591 41.388 40.800 -0.005 0.000 0.990 832 D HN 0.465 nan 8.370 nan 0.000 0.505 833 A N -0.357 122.447 122.820 -0.026 0.000 2.467 833 A HA 0.598 4.918 4.320 -0.000 0.000 0.301 833 A C -1.760 175.788 177.584 -0.060 0.000 1.126 833 A CA -0.766 51.244 52.037 -0.044 0.000 0.632 833 A CB 0.677 19.646 19.000 -0.050 0.000 1.331 833 A HN -0.048 nan 8.150 nan 0.000 0.482 834 V N 0.329 120.188 119.914 -0.092 0.000 2.547 834 V HA 0.680 4.800 4.120 -0.000 0.000 0.299 834 V C -0.839 175.172 176.094 -0.140 0.000 1.040 834 V CA -0.430 61.798 62.300 -0.120 0.000 0.913 834 V CB 1.339 33.078 31.823 -0.139 0.000 0.992 834 V HN 0.844 nan 8.190 nan 0.000 0.449 835 L N 5.933 127.065 121.223 -0.152 0.000 2.376 835 L HA 0.661 5.001 4.340 -0.000 0.000 0.275 835 L C -0.912 175.836 176.870 -0.204 0.000 0.987 835 L CA -0.008 54.749 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 3.620 124.073 120.570 -0.195 0.000 2.474 836 I HA 0.513 4.683 4.170 -0.000 0.000 0.294 836 I C -0.163 175.936 176.117 -0.031 0.000 1.005 836 I CA -0.372 60.771 61.300 -0.261 0.000 1.113 836 I CB 1.840 39.484 38.000 -0.594 0.000 1.289 836 I HN 0.527 nan 8.210 nan 0.000 0.436 837 T N 4.182 118.712 114.554 -0.039 0.000 2.881 837 T HA 0.635 4.984 4.350 -0.000 0.000 0.290 837 T C -0.080 174.660 174.700 0.066 0.000 1.000 837 T CA -0.488 61.637 62.100 0.041 0.000 0.978 837 T CB 1.876 70.741 68.868 -0.006 0.000 0.997 837 T HN 0.825 nan 8.240 nan 0.000 0.443 838 T N -0.228 114.406 114.554 0.133 0.000 2.906 838 T HA 0.900 5.250 4.350 -0.000 0.000 0.295 838 T C -1.158 173.591 174.700 0.082 0.000 1.075 838 T CA -1.058 61.095 62.100 0.089 0.000 1.005 838 T CB 2.051 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 1.478 124.265 122.820 -0.056 0.000 2.459 839 A HA 0.757 5.077 4.320 -0.000 0.000 0.296 839 A C -1.455 176.041 177.584 -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 0.106 119.233 119.070 0.095 0.000 2.821 840 H HA 0.816 5.372 4.556 -0.000 0.000 0.373 840 H C -0.069 175.293 175.328 0.056 0.000 1.165 840 H CA 0.203 56.229 56.048 -0.038 0.000 1.154 840 H CB 2.153 31.784 29.762 -0.220 0.000 1.765 840 H HN 1.004 nan 8.280 nan 0.000 0.549 841 A N 1.568 124.416 122.820 0.048 0.000 2.371 841 A HA 0.447 4.767 4.320 -0.000 0.000 0.311 841 A C -1.404 176.216 177.584 0.061 0.000 1.068 841 A CA -0.719 51.420 52.037 0.170 0.000 0.744 841 A CB 1.221 20.283 19.000 0.103 0.000 1.239 841 A HN 0.588 nan 8.150 nan 0.000 0.435 842 W N 2.046 123.455 121.300 0.181 0.000 2.391 842 W HA 0.431 5.091 4.660 -0.000 0.000 0.311 842 W C -0.349 176.188 176.519 0.029 0.000 1.087 842 W CA -0.171 57.272 57.345 0.163 0.000 1.209 842 W CB 1.653 31.273 29.460 0.266 0.000 1.273 842 W HN 0.776 nan 8.180 nan 0.000 0.482 843 Q N 1.661 121.597 119.800 0.227 0.000 2.458 843 Q HA 0.463 4.803 4.340 -0.000 0.000 0.282 843 Q C -0.947 175.190 176.000 0.228 0.000 1.106 843 Q CA -0.944 54.951 55.803 0.154 0.000 0.814 843 Q CB 3.549 32.339 28.738 0.086 0.000 1.425 843 Q HN 0.410 nan 8.270 nan 0.000 0.437 844 H N 1.070 120.172 119.070 0.053 0.000 3.224 844 H HA 0.071 4.627 4.556 -0.000 0.000 0.331 844 H C -1.009 174.348 175.328 0.049 0.000 1.002 844 H CA -0.062 56.026 56.048 0.068 0.000 1.473 844 H CB 1.028 30.841 29.762 0.085 0.000 1.830 844 H HN 0.887 nan 8.280 nan 0.000 0.485 845 Q N 3.268 122.820 119.800 -0.413 0.000 2.453 845 Q HA -0.259 4.081 4.340 -0.000 0.000 0.294 845 Q C 0.971 176.901 176.000 -0.116 0.000 1.295 845 Q CA 1.253 56.869 55.803 -0.311 0.000 0.853 845 Q CB -1.313 27.163 28.738 -0.436 0.000 1.193 845 Q HN 1.194 nan 8.270 nan 0.000 0.461 846 G N -0.394 108.373 108.800 -0.055 0.000 2.268 846 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.240 846 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.240 846 G C 0.073 174.974 174.900 0.003 0.000 1.010 846 G CA 0.365 45.453 45.100 -0.019 0.000 0.618 846 G HN 0.351 nan 8.290 nan 0.000 0.516 847 K N 1.459 121.868 120.400 0.014 0.000 2.156 847 K HA 0.601 4.921 4.320 -0.000 0.000 0.271 847 K C -0.287 176.325 176.600 0.019 0.000 0.995 847 K CA -0.057 56.243 56.287 0.022 0.000 0.890 847 K CB 0.794 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 5.832 120.387 114.554 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 61.685 62.100 -0.004 0.000 0.997 848 T CB 0.364 69.248 68.868 0.027 0.000 0.917 848 T HN 0.536 nan 8.240 nan 0.000 0.487 849 L N 2.345 123.404 121.223 -0.273 0.000 2.102 849 L HA 0.314 4.654 4.340 -0.000 0.000 0.202 849 L C -0.012 176.351 176.870 -0.845 0.000 1.076 849 L CA 0.968 55.369 54.840 -0.730 0.000 0.761 849 L CB -0.030 41.190 42.059 -1.400 0.000 0.921 849 L HN 0.514 nan 8.230 nan 0.000 0.444 850 F N -1.389 118.523 119.950 -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 0.179 0.000 1.088 850 F CA -0.884 57.044 58.000 -0.119 0.000 0.949 850 F CB 1.928 40.531 39.000 -0.662 0.000 1.322 850 F HN -0.343 nan 8.300 nan 0.000 0.461 851 I N 1.363 122.177 120.570 0.407 0.000 2.533 851 I HA 0.396 4.566 4.170 -0.000 0.000 0.290 851 I C -0.964 175.423 176.117 0.451 0.000 1.056 851 I CA -0.578 60.981 61.300 0.433 0.000 1.057 851 I CB 2.270 40.433 38.000 0.273 0.000 1.240 851 I HN 0.562 nan 8.210 nan 0.000 0.423 852 S N 6.718 122.777 115.700 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 -0.676 57.844 58.200 0.533 0.000 1.070 852 S CB 0.777 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 3.563 124.228 120.500 0.277 0.000 2.437 853 R HA 0.554 4.894 4.340 -0.000 0.000 0.310 853 R C -0.644 175.730 176.300 0.124 0.000 0.955 853 R CA -0.769 55.450 56.100 0.198 0.000 0.851 853 R CB 1.854 32.242 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 -0.663 175.907 176.600 -0.051 0.000 1.039 854 K CA -0.956 55.307 56.287 -0.040 0.000 0.863 854 K CB 2.393 34.807 32.500 -0.142 0.000 1.326 854 K HN 0.615 nan 8.250 nan 0.000 0.460 855 T N -1.394 113.051 114.554 -0.182 0.000 2.952 855 T HA 0.531 4.881 4.350 -0.000 0.000 0.305 855 T C -1.456 173.131 174.700 -0.188 0.000 1.064 855 T CA -0.772 61.276 62.100 -0.087 0.000 1.008 855 T CB 0.418 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 1.126 121.409 120.300 -0.028 0.000 2.350 856 Y HA 0.717 5.267 4.550 -0.000 0.000 0.338 856 Y C 0.396 176.242 175.900 -0.090 0.000 0.961 856 Y CA -1.114 56.978 58.100 -0.014 0.000 1.100 856 Y CB 2.091 40.570 38.460 0.032 0.000 1.179 856 Y HN 0.817 nan 8.280 nan 0.000 0.454 857 R N 4.081 124.620 120.500 0.066 0.000 2.451 857 R HA 0.677 5.017 4.340 -0.000 0.000 0.307 857 R C -1.993 174.262 176.300 -0.076 0.000 0.965 857 R CA -0.406 55.681 56.100 -0.023 0.000 0.865 857 R CB 0.688 30.981 30.300 -0.012 0.000 1.174 857 R HN 0.809 nan 8.270 nan 0.000 0.455 858 I N 5.239 125.710 120.570 -0.165 0.000 2.330 858 I HA 0.242 4.412 4.170 -0.000 0.000 0.289 858 I C -0.255 175.758 176.117 -0.173 0.000 1.001 858 I CA -0.787 60.349 61.300 -0.274 0.000 1.193 858 I CB 1.374 39.038 38.000 -0.560 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 1.261 177.542 176.300 -0.031 0.000 1.181 859 D CA -0.791 53.175 54.000 -0.057 0.000 1.070 859 D CB 0.874 41.657 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 -1.211 114.491 115.700 0.003 0.000 2.575 861 S HA 0.384 4.854 4.470 -0.000 0.000 0.215 861 S C 1.748 176.386 174.600 0.063 0.000 0.966 861 S CA 0.882 59.090 58.200 0.014 0.000 0.911 861 S CB 0.136 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 0.651 109.508 108.800 0.094 0.000 2.143 862 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.249 862 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.249 862 G C -0.251 174.767 174.900 0.197 0.000 0.981 862 G CA 0.048 45.278 45.100 0.218 0.000 0.665 862 G HN 0.602 nan 8.290 nan 0.000 0.528 863 Q N -0.496 119.355 119.800 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 55.454 55.803 0.087 0.000 0.919 863 Q CB 1.598 30.383 28.738 0.077 0.000 1.237 863 Q HN 0.417 nan 8.270 nan 0.000 0.434 864 M N 2.131 121.773 119.600 0.069 0.000 2.114 864 M HA 0.556 5.036 4.480 -0.000 0.000 0.332 864 M C -1.500 174.887 176.300 0.146 0.000 1.014 864 M CA -0.512 54.808 55.300 0.034 0.000 0.956 864 M CB 1.088 33.704 32.600 0.027 0.000 1.551 864 M HN 0.710 nan 8.290 nan 0.000 0.427 865 A N 6.828 129.707 122.820 0.099 0.000 2.288 865 A HA 0.765 5.085 4.320 -0.000 0.000 0.320 865 A C -0.933 176.693 177.584 0.071 0.000 1.217 865 A CA -0.670 51.429 52.037 0.103 0.000 0.840 865 A CB 0.510 19.551 19.000 0.068 0.000 1.179 865 A HN 0.917 nan 8.150 nan 0.000 0.504 866 I N 1.537 122.136 120.570 0.048 0.000 2.474 866 I HA 0.433 4.603 4.170 -0.000 0.000 0.294 866 I C -0.134 175.887 176.117 -0.160 0.000 1.005 866 I CA -0.303 60.937 61.300 -0.099 0.000 1.113 866 I CB 2.460 40.426 38.000 -0.056 0.000 1.289 866 I HN 0.507 nan 8.210 nan 0.000 0.436 867 T N 5.226 119.633 114.554 -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 -0.287 0.000 1.035 868 V CA -0.907 61.104 62.300 -0.482 0.000 0.873 868 V CB 2.043 33.326 31.823 -0.901 0.000 0.992 868 V HN 0.831 nan 8.190 nan 0.000 0.428 869 D N 3.301 123.703 120.400 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 2.781 43.705 40.800 0.207 0.000 1.207 869 D HN 0.268 nan 8.370 nan 0.000 0.543 870 V N 2.191 122.269 119.914 0.273 0.000 2.628 870 V HA 0.352 4.472 4.120 -0.000 0.000 0.306 870 V C 0.045 176.290 176.094 0.251 0.000 1.045 870 V CA -0.698 61.775 62.300 0.289 0.000 0.905 870 V CB 2.512 34.538 31.823 0.338 0.000 0.997 870 V HN 0.374 nan 8.190 nan 0.000 0.436 871 E N 2.172 122.507 120.200 0.226 0.000 2.222 871 E HA 0.635 4.985 4.350 -0.000 0.000 0.267 871 E C -1.611 175.114 176.600 0.209 0.000 0.884 871 E CA -0.621 55.890 56.400 0.185 0.000 0.764 871 E CB 2.658 32.448 29.700 0.151 0.000 1.169 871 E HN 0.412 nan 8.360 nan 0.000 0.413 872 V N 2.075 122.113 119.914 0.206 0.000 2.409 872 V HA 0.380 4.500 4.120 -0.000 0.000 0.291 872 V C 0.085 176.276 176.094 0.161 0.000 1.020 872 V CA -0.932 61.513 62.300 0.242 0.000 0.848 872 V CB 1.446 33.445 31.823 0.292 0.000 0.990 872 V HN 0.838 nan 8.190 nan 0.000 0.430 873 A N 3.523 126.399 122.820 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 0.652 52.729 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 1.376 nan 8.150 nan 0.000 0.504 874 S N 1.396 117.161 115.700 0.107 0.000 2.442 874 S HA -0.152 4.318 4.470 -0.000 0.000 0.236 874 S C 0.846 175.524 174.600 0.130 0.000 1.007 874 S CA 1.350 59.631 58.200 0.135 0.000 0.965 874 S CB -0.264 62.994 63.200 0.097 0.000 0.773 874 S HN 0.815 nan 8.310 nan 0.000 0.504 875 D N 0.168 120.622 120.400 0.089 0.000 2.368 875 D HA 0.151 4.791 4.640 -0.000 0.000 0.218 875 D C 0.364 176.704 176.300 0.065 0.000 1.112 875 D CA -0.074 53.964 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 1.274 115.894 114.554 0.110 0.000 2.902 876 T HA 0.422 4.772 4.350 -0.000 0.000 0.283 876 T C -2.651 172.163 174.700 0.190 0.000 1.009 876 T CA -1.991 60.203 62.100 0.157 0.000 1.051 876 T CB 1.320 70.291 68.868 0.171 0.000 0.999 876 T HN -0.170 nan 8.240 nan 0.000 0.474 877 P HA 0.117 nan 4.420 nan 0.000 0.265 877 P C -0.478 177.111 177.300 0.480 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 3.213 122.643 119.070 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 54.829 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 0.334 177.552 177.300 -0.137 0.000 1.231 879 P CA -0.331 62.836 63.100 0.112 0.000 0.790 879 P CB 0.833 32.467 31.700 -0.111 0.000 0.951 880 A N 3.266 125.761 122.820 -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 -2.873 117.300 120.500 -0.544 0.000 2.728 881 R HA 0.716 5.056 4.340 -0.000 0.000 0.274 881 R C -1.833 174.231 176.300 -0.394 0.000 1.030 881 R CA -0.804 54.991 56.100 -0.508 0.000 0.876 881 R CB 0.667 30.607 30.300 -0.600 0.000 1.259 881 R HN 0.005 nan 8.270 nan 0.000 0.468 882 I N 1.274 121.640 120.570 -0.340 0.000 2.517 882 I HA 0.631 4.801 4.170 -0.000 0.000 0.280 882 I C -0.443 175.435 176.117 -0.399 0.000 1.061 882 I CA -0.375 60.740 61.300 -0.309 0.000 1.091 882 I CB 1.837 39.723 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 -1.721 172.980 174.900 -0.332 0.000 1.270 883 G CA -0.575 44.279 45.100 -0.410 0.000 0.810 883 G HN 0.272 nan 8.290 nan 0.000 0.493 884 L N 0.757 121.838 121.223 -0.236 0.000 2.333 884 L HA 0.661 5.001 4.340 -0.000 0.000 0.263 884 L C -0.749 176.003 176.870 -0.196 0.000 1.014 884 L CA -1.141 53.587 54.840 -0.188 0.000 0.820 884 L CB 2.534 44.551 42.059 -0.070 0.000 1.352 884 L HN 0.809 nan 8.230 nan 0.000 0.421 885 N N 0.533 119.145 118.700 -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 -0.075 0.000 0.819 885 N CB 2.254 40.725 38.487 -0.026 0.000 1.521 885 N HN 0.864 nan 8.380 nan 0.000 0.497 886 C N -1.614 117.707 119.300 0.035 0.000 3.292 886 C HA 0.573 5.033 4.460 -0.000 0.000 0.338 886 C C -1.231 173.606 174.990 -0.254 0.000 1.323 886 C CA -0.879 58.112 59.018 -0.045 0.000 1.232 886 C CB 0.936 28.655 27.740 -0.034 0.000 1.517 886 C HN 0.867 nan 8.230 nan 0.000 0.470 887 Q N 1.449 120.888 119.800 -0.601 0.000 2.368 887 Q HA 0.655 4.995 4.340 -0.000 0.000 0.256 887 Q C -0.985 174.723 176.000 -0.486 0.000 0.980 887 Q CA -0.419 54.780 55.803 -1.006 0.000 0.887 887 Q CB 0.816 28.609 28.738 -1.575 0.000 1.221 887 Q HN 0.762 nan 8.270 nan 0.000 0.458 888 L N 2.573 123.607 121.223 -0.316 0.000 2.395 888 L HA 0.290 4.630 4.340 -0.000 0.000 0.269 888 L C 1.226 178.019 176.870 -0.128 0.000 1.133 888 L CA -0.250 54.521 54.840 -0.116 0.000 0.812 888 L CB 0.855 42.954 42.059 0.068 0.000 1.125 888 L HN 0.810 nan 8.230 nan 0.000 0.452 889 A N 1.980 124.750 122.820 -0.083 0.000 1.930 889 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 889 A C 1.173 178.731 177.584 -0.044 0.000 1.175 889 A CA 0.762 52.747 52.037 -0.087 0.000 0.627 889 A CB -0.287 18.658 19.000 -0.091 0.000 0.815 889 A HN 0.795 nan 8.150 nan 0.000 0.443 890 Q N -0.495 119.308 119.800 0.006 0.000 2.417 890 Q HA 0.434 4.774 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 0.370 56.176 55.803 0.006 0.000 0.901 890 Q CB 0.841 29.604 28.738 0.041 0.000 1.259 890 Q HN 0.167 nan 8.270 nan 0.000 0.489 891 V N 2.556 122.457 119.914 -0.021 0.000 2.567 891 V HA 0.771 4.891 4.120 -0.000 0.000 0.298 891 V C -0.845 175.199 176.094 -0.084 0.000 1.047 891 V CA -0.171 62.143 62.300 0.024 0.000 0.880 891 V CB 1.160 32.995 31.823 0.021 0.000 1.009 891 V HN 0.928 nan 8.190 nan 0.000 0.429 892 A N 3.201 125.931 122.820 -0.151 0.000 2.347 892 A HA 0.912 5.231 4.320 -0.000 0.000 0.301 892 A C 0.536 178.141 177.584 0.035 0.000 1.163 892 A CA -0.310 51.600 52.037 -0.211 0.000 0.860 892 A CB 1.566 20.218 19.000 -0.579 0.000 1.367 892 A HN 0.680 nan 8.150 nan 0.000 0.461 893 E N -0.155 120.058 120.200 0.023 0.000 2.102 893 E HA 0.094 4.444 4.350 -0.000 0.000 0.190 893 E C 0.393 177.074 176.600 0.135 0.000 0.971 893 E CA 1.070 57.514 56.400 0.075 0.000 0.821 893 E CB 0.171 29.892 29.700 0.036 0.000 0.777 893 E HN 0.512 nan 8.360 nan 0.000 0.460 894 R N -0.573 120.022 120.500 0.158 0.000 2.854 894 R HA 0.591 4.931 4.340 -0.000 0.000 0.271 894 R C -1.098 175.396 176.300 0.324 0.000 0.996 894 R CA -0.928 55.294 56.100 0.204 0.000 0.961 894 R CB 2.331 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 1.891 122.004 119.914 0.330 0.000 2.531 895 V HA 0.359 4.479 4.120 -0.000 0.000 0.301 895 V C -0.432 175.937 176.094 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 4.136 123.092 118.700 0.428 0.000 2.295 896 N HA 0.555 5.295 4.740 -0.000 0.000 0.293 896 N C -1.500 174.282 175.510 0.453 0.000 1.040 896 N CA -0.422 52.846 53.050 0.363 0.000 0.840 896 N CB 2.948 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 3.074 124.430 121.300 0.094 0.000 3.137 897 W HA 0.589 5.249 4.660 -0.000 0.000 0.324 897 W C -2.183 174.333 176.519 -0.006 0.000 1.253 897 W CA -1.080 56.305 57.345 0.067 0.000 1.183 897 W CB 0.703 30.241 29.460 0.131 0.000 1.424 897 W HN 0.261 nan 8.180 nan 0.000 0.566 898 L N 3.970 125.198 121.223 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 -0.116 0.000 1.008 898 L CA 0.367 55.038 54.840 -0.282 0.000 0.846 898 L CB 0.837 42.783 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 -0.276 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 -1.647 173.391 174.900 0.229 0.000 1.246 899 G CA -1.034 44.128 45.100 0.103 0.000 0.889 899 G HN 0.442 nan 8.290 nan 0.000 0.486 900 L N 1.036 122.478 121.223 0.364 0.000 2.380 900 L HA 0.623 4.963 4.340 -0.000 0.000 0.273 900 L C 1.053 178.026 176.870 0.171 0.000 1.138 900 L CA 0.671 55.662 54.840 0.252 0.000 0.832 900 L CB 0.731 42.866 42.059 0.127 0.000 1.124 900 L HN 1.151 nan 8.230 nan 0.000 0.454 901 G N 2.708 111.394 108.800 -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 44.356 45.100 -0.773 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 0.514 177.597 177.300 -0.362 0.000 1.188 902 P CA 0.498 62.962 63.100 -1.060 0.000 0.794 902 P CB 0.570 31.792 31.700 -0.796 0.000 0.937 903 Q N 0.570 120.167 119.800 -0.338 0.000 2.318 903 Q HA 0.128 4.468 4.340 -0.000 0.000 0.222 903 Q C 0.378 176.258 176.000 -0.200 0.000 1.003 903 Q CA -0.530 55.150 55.803 -0.204 0.000 0.936 903 Q CB 0.662 29.308 28.738 -0.152 0.000 1.204 903 Q HN 0.121 nan 8.270 nan 0.000 0.524 904 E N 1.455 121.550 120.200 -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 0.222 56.511 56.400 -0.186 0.000 0.939 904 E CB 0.186 29.844 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 0.335 5.075 4.740 -0.000 0.000 0.288 905 N C -1.805 173.478 175.510 -0.378 0.000 1.094 905 N CA -0.680 52.267 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 0.052 120.252 120.300 -0.167 0.000 2.630 906 Y HA 0.497 5.047 4.550 -0.000 0.000 0.337 906 Y C -1.597 174.217 175.900 -0.142 0.000 1.051 906 Y CA -2.104 55.881 58.100 -0.191 0.000 1.121 906 Y CB 1.792 40.133 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 0.266 177.457 177.300 -0.181 0.000 1.150 907 P CA 2.006 65.116 63.100 0.016 0.000 0.843 907 P CB 0.209 32.004 31.700 0.158 0.000 0.787 908 D N -2.273 117.843 120.400 -0.474 0.000 2.368 908 D HA 0.036 4.676 4.640 -0.000 0.000 0.218 908 D C 0.611 176.778 176.300 -0.221 0.000 1.112 908 D CA -0.028 53.532 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 1.059 121.514 120.500 -0.076 0.000 2.684 909 R HA 0.201 4.541 4.340 -0.000 0.000 0.252 909 R C -0.643 175.684 176.300 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 -1.744 119.516 121.223 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 0.083 54.959 54.840 0.059 0.000 1.085 910 L CB 0.190 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 -2.591 112.048 114.554 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 68.737 68.868 0.241 0.000 0.878 911 T HN 0.400 nan 8.240 nan 0.000 0.479 912 A N 1.390 124.303 122.820 0.154 0.000 2.119 912 A HA 0.662 4.982 4.320 -0.000 0.000 0.216 912 A C 1.685 179.375 177.584 0.176 0.000 1.152 912 A CA 0.543 52.637 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 2.940 122.737 120.400 -1.004 0.000 3.145 916 D HA 0.345 4.985 4.640 -0.000 0.000 0.345 916 D C -1.491 173.904 176.300 -1.508 0.000 1.391 916 D CA -0.669 52.583 54.000 -1.246 0.000 0.930 916 D CB 2.248 42.264 40.800 -1.306 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 -1.402 0.000 2.229 917 R HA 0.475 4.815 4.340 -0.000 0.000 0.332 917 R C -1.262 174.230 176.300 -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 2.582 123.333 121.300 -0.915 0.000 2.639 918 W HA 0.417 5.077 4.660 -0.000 0.000 0.347 918 W C -0.408 175.712 176.519 -0.664 0.000 1.067 918 W CA -0.663 56.098 57.345 -0.973 0.000 1.218 918 W CB 1.501 29.915 29.460 -1.743 0.000 1.393 918 W HN 0.314 nan 8.180 nan 0.000 0.557 919 D N 2.675 123.017 120.400 -0.096 0.000 2.602 919 D HA 0.468 5.108 4.640 -0.000 0.000 0.245 919 D C -1.286 175.110 176.300 0.159 0.000 1.325 919 D CA -0.108 53.935 54.000 0.072 0.000 0.952 919 D CB 1.093 41.904 40.800 0.019 0.000 1.317 919 D HN 0.365 nan 8.370 nan 0.000 0.577 920 L N 2.561 123.953 121.223 0.280 0.000 2.341 920 L HA 0.567 4.907 4.340 -0.000 0.000 0.254 920 L C -2.516 174.479 176.870 0.209 0.000 1.040 920 L CA -2.202 52.778 54.840 0.233 0.000 0.837 920 L CB 2.577 44.808 42.059 0.286 0.000 1.425 920 L HN 0.136 nan 8.230 nan 0.000 0.414 921 P HA 0.146 nan 4.420 nan 0.000 0.282 921 P C 0.455 177.838 177.300 0.139 0.000 1.249 921 P CA -0.465 62.714 63.100 0.132 0.000 0.806 921 P CB 1.097 32.854 31.700 0.094 0.000 0.984 922 L N 3.466 124.776 121.223 0.144 0.000 2.089 922 L HA -0.280 4.060 4.340 -0.000 0.000 0.213 922 L C 2.093 179.020 176.870 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 -1.709 114.047 115.700 0.095 0.000 2.400 923 S HA -0.188 4.282 4.470 -0.000 0.000 0.232 923 S C 1.597 176.269 174.600 0.118 0.000 1.025 923 S CA 1.221 59.485 58.200 0.107 0.000 0.993 923 S CB -0.783 62.469 63.200 0.087 0.000 0.808 923 S HN 0.522 nan 8.310 nan 0.000 0.478 924 D N 1.241 121.693 120.400 0.086 0.000 2.348 924 D HA 0.095 4.735 4.640 -0.000 0.000 0.216 924 D C 1.197 177.511 176.300 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 40.674 40.800 0.060 0.000 0.912 924 D HN 0.411 nan 8.370 nan 0.000 0.524 925 M N -0.291 119.332 119.600 0.039 0.000 2.505 925 M HA 0.087 4.566 4.480 -0.000 0.000 0.230 925 M C -0.163 176.157 176.300 0.033 0.000 1.153 925 M CA -0.054 55.227 55.300 -0.032 0.000 0.997 925 M CB -0.804 31.765 32.600 -0.052 0.000 1.606 925 M HN -0.046 nan 8.290 nan 0.000 0.481 926 Y N -0.039 120.224 120.300 -0.062 0.000 2.376 926 Y HA 0.485 5.035 4.550 -0.000 0.000 0.340 926 Y C -0.861 174.974 175.900 -0.108 0.000 0.965 926 Y CA -0.690 57.382 58.100 -0.046 0.000 1.078 926 Y CB 1.462 39.956 38.460 0.057 0.000 1.193 926 Y HN -0.097 nan 8.280 nan 0.000 0.452 927 T N 8.876 122.922 114.554 -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 60.009 62.100 -0.961 0.000 0.949 927 T CB 1.059 69.463 68.868 -0.773 0.000 0.946 927 T HN 0.449 nan 8.240 nan 0.000 0.453 928 P HA 0.112 nan 4.420 nan 0.000 0.225 928 P C -0.662 176.455 177.300 -0.305 0.000 1.768 928 P CA -0.383 62.287 63.100 -0.717 0.000 0.943 928 P CB -0.770 30.659 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 -0.077 4.473 4.550 -0.000 0.000 0.330 929 Y C 2.262 178.193 175.900 0.050 0.000 1.156 929 Y CA -0.510 57.569 58.100 -0.035 0.000 1.419 929 Y CB 0.604 38.985 38.460 -0.131 0.000 1.250 929 Y HN -0.108 nan 8.280 nan 0.000 0.540 930 V N 3.756 123.872 119.914 0.338 0.000 2.317 930 V HA -0.329 3.791 4.120 -0.000 0.000 0.251 930 V C 0.563 176.816 176.094 0.265 0.000 1.065 930 V CA 1.598 64.079 62.300 0.301 0.000 1.049 930 V CB -0.573 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 -2.417 173.373 175.800 -0.015 0.000 1.120 931 F CA -3.283 54.694 58.000 -0.037 0.000 1.102 931 F CB 0.922 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 -1.116 175.895 177.300 -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 32.987 31.700 -0.328 0.000 0.927 933 S N -0.401 115.196 115.700 -0.171 0.000 2.703 933 S HA 0.420 4.890 4.470 -0.000 0.000 0.273 933 S C -0.827 173.761 174.600 -0.019 0.000 1.178 933 S CA -0.934 57.208 58.200 -0.097 0.000 0.838 933 S CB 0.301 63.472 63.200 -0.049 0.000 1.178 933 S HN 0.343 nan 8.310 nan 0.000 0.494 934 E N 1.285 121.485 120.200 -0.001 0.000 2.529 934 E HA 0.352 4.702 4.350 -0.000 0.000 0.259 934 E C -0.153 176.490 176.600 0.072 0.000 0.966 934 E CA 0.935 57.359 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 1.602 120.376 118.700 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 0.797 39.372 38.487 0.148 0.000 1.415 935 N HN 0.645 nan 8.380 nan 0.000 0.524 936 G N -1.436 107.379 108.800 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 0.395 45.397 45.100 -0.163 0.000 0.641 936 G HN 0.683 nan 8.290 nan 0.000 0.533 937 L N 1.300 122.216 121.223 -0.513 0.000 2.499 937 L HA 0.488 4.828 4.340 -0.000 0.000 0.281 937 L C 0.888 177.197 176.870 -0.936 0.000 1.234 937 L CA 0.497 54.797 54.840 -0.900 0.000 0.839 937 L CB 0.367 41.575 42.059 -1.418 0.000 1.104 937 L HN 0.355 nan 8.230 nan 0.000 0.500 938 R N 3.602 123.465 120.500 -1.061 0.000 2.575 938 R HA 0.478 4.818 4.340 -0.000 0.000 0.293 938 R C -1.192 174.744 176.300 -0.608 0.000 0.983 938 R CA -0.726 54.866 56.100 -0.847 0.000 0.887 938 R CB 0.877 30.643 30.300 -0.891 0.000 1.184 938 R HN 0.549 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 -0.046 0.000 1.240 939 C CA 0.358 59.257 59.018 -0.199 0.000 2.089 939 C CB 1.146 28.792 27.740 -0.157 0.000 2.234 939 C HN 1.074 nan 8.230 nan 0.000 0.544 940 G N 2.170 110.954 108.800 -0.027 0.000 2.395 940 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.300 940 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.300 940 G C -0.084 174.869 174.900 0.089 0.000 0.998 940 G CA 0.546 45.676 45.100 0.051 0.000 1.046 940 G HN 0.798 nan 8.290 nan 0.000 0.513 941 T N -0.338 114.139 114.554 -0.127 0.000 2.799 941 T HA 0.493 4.843 4.350 -0.000 0.000 0.286 941 T C 1.541 175.963 174.700 -0.463 0.000 0.973 941 T CA -0.526 61.464 62.100 -0.184 0.000 1.035 941 T CB 1.350 70.103 68.868 -0.191 0.000 0.932 941 T HN 0.385 nan 8.240 nan 0.000 0.469 942 R N 1.333 121.774 120.500 -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 56.260 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 0.952 121.221 120.200 0.115 0.000 2.321 943 E HA 0.272 4.622 4.350 -0.000 0.000 0.281 943 E C -2.043 174.709 176.600 0.253 0.000 0.910 943 E CA -0.616 55.918 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 4.129 125.551 121.223 0.332 0.000 2.410 944 L HA 0.600 4.940 4.340 -0.000 0.000 0.270 944 L C -1.867 175.227 176.870 0.373 0.000 0.983 944 L CA -0.376 54.613 54.840 0.249 0.000 0.822 944 L CB 1.795 43.840 42.059 -0.023 0.000 1.285 944 L HN 0.465 nan 8.230 nan 0.000 0.409 945 N N 4.489 123.374 118.700 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 1.292 121.753 120.300 0.267 0.000 2.323 946 Y HA 0.419 4.969 4.550 -0.000 0.000 0.322 946 Y C 0.471 176.485 175.900 0.190 0.000 1.133 946 Y CA 0.201 58.440 58.100 0.232 0.000 1.093 946 Y CB 0.567 39.206 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 -1.907 172.905 174.900 -0.147 0.000 1.200 947 G CA -0.061 44.892 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 63.875 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 0.420 175.514 175.328 -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 30.248 29.762 -0.565 0.000 1.483 949 H HN -0.048 nan 8.280 nan 0.000 0.558 950 Q N 2.722 122.273 119.800 -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 -0.233 0.000 0.831 950 Q CB 1.780 30.512 28.738 -0.010 0.000 1.322 950 Q HN 0.633 nan 8.270 nan 0.000 0.419 951 W N 3.543 124.847 121.300 0.007 0.000 2.819 951 W HA 0.597 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 -0.792 56.534 57.345 -0.031 0.000 1.226 951 W CB 2.237 31.512 29.460 -0.307 0.000 1.419 951 W HN 0.614 nan 8.180 nan 0.000 0.502 952 R N 0.740 121.495 120.500 0.425 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 0.276 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 0.475 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 -1.772 173.279 174.900 0.251 0.000 1.190 953 G CA -0.530 44.816 45.100 0.409 0.000 0.987 953 G HN 0.513 nan 8.290 nan 0.000 0.479 954 D N 0.116 120.671 120.400 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 0.363 41.203 40.800 0.065 0.000 1.261 954 D HN 0.579 nan 8.370 nan 0.000 0.544 955 F N -0.054 119.892 119.950 -0.007 0.000 3.016 955 F HA 0.658 5.184 4.527 -0.000 0.000 0.324 955 F C -1.386 174.373 175.800 -0.067 0.000 1.196 955 F CA -1.097 56.834 58.000 -0.115 0.000 0.929 955 F CB 0.670 39.587 39.000 -0.138 0.000 1.440 955 F HN -0.096 nan 8.300 nan 0.000 0.505 956 Q N 1.435 121.323 119.800 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 2.805 31.422 28.738 -0.202 0.000 1.367 956 Q HN 0.880 nan 8.270 nan 0.000 0.443 957 F N -1.178 118.660 119.950 -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 1.619 40.483 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 -2.190 173.294 175.510 -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 0.626 121.157 120.570 -0.065 0.000 2.610 959 I HA 0.679 4.849 4.170 -0.000 0.000 0.289 959 I C -1.253 174.818 176.117 -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 -0.352 174.182 174.600 -0.111 0.000 1.200 960 S CA -0.952 57.211 58.200 -0.061 0.000 0.900 960 S CB 1.531 64.760 63.200 0.048 0.000 1.235 960 S HN 0.621 nan 8.310 nan 0.000 0.512 961 R N -0.111 120.147 120.500 -0.403 0.000 2.427 961 R HA 0.287 4.627 4.340 -0.000 0.000 0.262 961 R C -0.979 174.970 176.300 -0.586 0.000 0.943 961 R CA 0.195 56.008 56.100 -0.479 0.000 1.081 961 R CB -0.543 29.345 30.300 -0.687 0.000 1.166 961 R HN 0.634 nan 8.270 nan 0.000 0.534 962 Y N 0.342 120.609 120.300 -0.054 0.000 2.409 962 Y HA 0.250 4.800 4.550 -0.000 0.000 0.343 962 Y C 0.782 176.428 175.900 -0.424 0.000 0.973 962 Y CA -1.171 56.803 58.100 -0.209 0.000 1.064 962 Y CB 1.478 39.771 38.460 -0.279 0.000 1.207 962 Y HN -0.098 nan 8.280 nan 0.000 0.452 963 S N 1.557 116.906 115.700 -0.584 0.000 2.603 963 S HA 0.077 4.547 4.470 -0.000 0.000 0.268 963 S C 0.866 175.131 174.600 -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 -1.211 0.000 0.926 963 S HN 0.751 nan 8.310 nan 0.000 0.539 964 Q N 0.609 120.088 119.800 -0.534 0.000 2.135 964 Q HA -0.194 4.146 4.340 -0.000 0.000 0.204 964 Q C 2.175 178.042 176.000 -0.222 0.000 0.981 964 Q CA 1.776 57.410 55.803 -0.283 0.000 0.856 964 Q CB -0.500 28.109 28.738 -0.215 0.000 0.902 964 Q HN 0.938 nan 8.270 nan 0.000 0.425 965 Q N 0.653 120.295 119.800 -0.264 0.000 2.079 965 Q HA -0.201 4.139 4.340 -0.000 0.000 0.200 965 Q C 2.045 177.948 176.000 -0.162 0.000 0.974 965 Q CA 1.324 57.025 55.803 -0.170 0.000 0.840 965 Q CB 0.026 28.684 28.738 -0.132 0.000 0.898 965 Q HN 0.429 nan 8.270 nan 0.000 0.430 966 Q N 0.127 119.808 119.800 -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 1.307 57.003 55.803 -0.179 0.000 0.840 966 Q CB -0.093 28.521 28.738 -0.207 0.000 0.898 966 Q HN 0.465 nan 8.270 nan 0.000 0.424 967 L N 0.175 121.278 121.223 -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 41.578 42.059 -0.159 0.000 0.891 967 L HN 0.417 nan 8.230 nan 0.000 0.432 968 M N -0.646 118.854 119.600 -0.167 0.000 2.394 968 M HA -0.148 4.332 4.480 -0.000 0.000 0.264 968 M C 1.583 177.803 176.300 -0.133 0.000 1.073 968 M CA 1.544 56.758 55.300 -0.144 0.000 1.111 968 M CB 0.133 32.665 32.600 -0.113 0.000 1.401 968 M HN 0.192 nan 8.290 nan 0.000 0.448 969 E N -0.728 119.395 120.200 -0.128 0.000 2.452 969 E HA 0.067 4.417 4.350 -0.000 0.000 0.197 969 E C -0.251 176.299 176.600 -0.085 0.000 1.022 969 E CA 0.153 56.501 56.400 -0.087 0.000 0.890 969 E CB 0.563 30.224 29.700 -0.065 0.000 0.918 969 E HN 0.317 nan 8.360 nan 0.000 0.496 970 T N 0.832 115.304 114.554 -0.137 0.000 2.744 970 T HA 0.071 4.421 4.350 -0.000 0.000 0.291 970 T C 1.130 175.729 174.700 -0.167 0.000 0.957 970 T CA -0.311 61.707 62.100 -0.136 0.000 1.002 970 T CB 1.529 70.285 68.868 -0.186 0.000 0.919 970 T HN 0.043 nan 8.240 nan 0.000 0.468 971 S N 2.183 117.871 115.700 -0.020 0.000 2.496 971 S HA 0.038 4.508 4.470 -0.000 0.000 0.224 971 S C 0.321 174.980 174.600 0.098 0.000 0.996 971 S CA 0.350 58.609 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 0.239 119.293 119.070 -0.026 0.000 2.851 972 H HA 0.515 5.071 4.556 -0.000 0.000 0.372 972 H C 0.944 176.236 175.328 -0.060 0.000 1.158 972 H CA -0.762 55.334 56.048 0.080 0.000 1.159 972 H CB 1.519 31.348 29.762 0.111 0.000 1.757 972 H HN 0.104 nan 8.280 nan 0.000 0.546 973 R N 1.348 121.956 120.500 0.181 0.000 2.105 973 R HA -0.182 4.158 4.340 -0.000 0.000 0.239 973 R C 1.391 177.690 176.300 -0.001 0.000 1.135 973 R CA 1.936 58.070 56.100 0.056 0.000 0.967 973 R CB -0.569 29.790 30.300 0.099 0.000 0.861 973 R HN 0.772 nan 8.270 nan 0.000 0.442 974 H N 1.586 120.658 119.070 0.003 0.000 2.489 974 H HA -0.023 4.533 4.556 -0.000 0.000 0.293 974 H C 1.541 176.788 175.328 -0.135 0.000 1.066 974 H CA 1.044 57.047 56.048 -0.075 0.000 1.305 974 H CB -0.246 29.458 29.762 -0.097 0.000 1.386 974 H HN 0.322 nan 8.280 nan 0.000 0.551 975 L N 0.899 121.689 121.223 -0.722 0.000 2.591 975 L HA 0.196 4.536 4.340 -0.000 0.000 0.228 975 L C 0.583 177.320 176.870 -0.223 0.000 1.133 975 L CA -0.103 54.447 54.840 -0.483 0.000 0.880 975 L CB -0.035 41.740 42.059 -0.474 0.000 1.033 975 L HN 0.048 nan 8.230 nan 0.000 0.450 976 L N 0.743 121.836 121.223 -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 0.607 42.355 42.059 -0.519 0.000 1.125 976 L HN 0.170 nan 8.230 nan 0.000 0.452 977 H N 1.686 120.801 119.070 0.075 0.000 2.529 977 H HA 0.610 5.166 4.556 -0.000 0.000 0.348 977 H C -0.762 174.665 175.328 0.164 0.000 1.079 977 H CA -1.193 54.916 56.048 0.103 0.000 1.198 977 H CB 1.399 31.175 29.762 0.023 0.000 1.521 977 H HN 0.698 nan 8.280 nan 0.000 0.514 978 A N 4.051 126.953 122.820 0.136 0.000 2.540 978 A HA 0.083 4.403 4.320 -0.000 0.000 0.239 978 A C 0.357 177.961 177.584 0.032 0.000 1.061 978 A CA -0.187 51.768 52.037 -0.137 0.000 0.758 978 A CB 0.011 18.915 19.000 -0.160 0.000 0.991 978 A HN 0.871 nan 8.150 nan 0.000 0.502 979 E N 1.110 121.286 120.200 -0.040 0.000 2.359 979 E HA 0.117 4.467 4.350 -0.000 0.000 0.255 979 E C 0.640 177.260 176.600 0.033 0.000 1.191 979 E CA -0.696 55.769 56.400 0.108 0.000 0.952 979 E CB 0.670 30.521 29.700 0.252 0.000 1.152 979 E HN 0.822 nan 8.360 nan 0.000 0.496 980 E N 0.228 120.447 120.200 0.032 0.000 2.065 980 E HA -0.210 4.140 4.350 -0.000 0.000 0.201 980 E C 0.923 177.474 176.600 -0.081 0.000 1.016 980 E CA 1.727 58.109 56.400 -0.031 0.000 0.818 980 E CB 0.014 29.696 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 0.450 114.921 114.554 -0.139 0.000 2.807 982 T HA 0.411 4.761 4.350 -0.000 0.000 0.279 982 T C -1.557 173.007 174.700 -0.227 0.000 0.993 982 T CA -0.073 61.967 62.100 -0.100 0.000 0.970 982 T CB 1.612 70.509 68.868 0.049 0.000 0.950 982 T HN 0.309 nan 8.240 nan 0.000 0.441 983 W N 3.066 124.280 121.300 -0.144 0.000 2.361 983 W HA 0.631 5.291 4.660 -0.000 0.000 0.309 983 W C -0.434 175.967 176.519 -0.196 0.000 1.122 983 W CA -0.704 56.553 57.345 -0.146 0.000 1.208 983 W CB 0.917 30.298 29.460 -0.132 0.000 1.246 983 W HN 0.366 nan 8.180 nan 0.000 0.490 984 L N 5.423 126.681 121.223 0.058 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 54.305 54.840 -0.146 0.000 0.820 984 L CB 1.090 42.929 42.059 -0.368 0.000 1.270 984 L HN 0.323 nan 8.230 nan 0.000 0.415 985 N N 6.944 125.550 118.700 -0.156 0.000 2.442 985 N HA 0.452 5.192 4.740 -0.000 0.000 0.274 985 N C -1.273 174.107 175.510 -0.216 0.000 1.002 985 N CA -0.343 52.605 53.050 -0.169 0.000 0.910 985 N CB 2.245 40.656 38.487 -0.127 0.000 1.244 985 N HN 0.487 nan 8.380 nan 0.000 0.492 986 I N 1.837 122.223 120.570 -0.306 0.000 2.354 986 I HA 0.265 4.435 4.170 -0.000 0.000 0.286 986 I C -0.458 175.470 176.117 -0.316 0.000 1.007 986 I CA -0.451 60.625 61.300 -0.373 0.000 1.167 986 I CB 1.396 39.033 38.000 -0.606 0.000 1.320 986 I HN 0.170 nan 8.210 nan 0.000 0.458 987 D N 4.547 124.803 120.400 -0.241 0.000 2.217 987 D HA 0.316 4.956 4.640 -0.000 0.000 0.243 987 D C 1.069 177.086 176.300 -0.471 0.000 1.054 987 D CA -0.220 53.584 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 0.063 174.157 174.900 -1.344 0.000 1.156 988 G CA 0.567 44.881 45.100 -1.310 0.000 0.793 988 G HN 0.385 nan 8.290 nan 0.000 0.535 989 F N -1.916 117.825 119.950 -0.348 0.000 2.654 989 F HA 0.545 5.072 4.527 -0.000 0.000 0.308 989 F C -0.666 175.027 175.800 -0.179 0.000 1.108 989 F CA -1.259 56.618 58.000 -0.205 0.000 0.957 989 F CB 1.904 40.726 39.000 -0.297 0.000 1.309 989 F HN -0.072 nan 8.300 nan 0.000 0.446 990 H N 2.405 121.482 119.070 0.012 0.000 2.865 990 H HA 0.420 4.976 4.556 -0.000 0.000 0.362 990 H C -1.142 174.203 175.328 0.029 0.000 1.114 990 H CA -0.719 55.308 56.048 -0.034 0.000 1.208 990 H CB 2.489 32.210 29.762 -0.068 0.000 1.727 990 H HN 0.837 nan 8.280 nan 0.000 0.534 991 M N 2.423 121.999 119.600 -0.040 0.000 2.245 991 M HA 0.265 4.745 4.480 -0.000 0.000 0.330 991 M C 0.584 177.001 176.300 0.195 0.000 1.098 991 M CA 0.278 55.611 55.300 0.054 0.000 1.172 991 M CB 0.383 32.915 32.600 -0.112 0.000 1.467 991 M HN 0.744 nan 8.290 nan 0.000 0.454 992 G N 2.368 111.248 108.800 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 0.542 175.414 174.900 -0.047 0.000 1.238 992 G CA -0.331 44.772 45.100 0.004 0.000 0.934 992 G HN 0.962 nan 8.290 nan 0.000 0.534 993 I N -2.706 117.784 120.570 -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 -0.125 0.000 1.274 993 I CA 0.505 61.701 61.300 -0.174 0.000 1.301 993 I CB -0.324 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 1.413 nan 8.290 nan 0.000 0.575 995 G N -2.250 106.555 108.800 0.008 0.000 2.370 995 G HA2 0.023 3.983 3.960 -0.000 0.000 0.174 995 G HA3 0.023 3.983 3.960 -0.000 0.000 0.174 995 G C 0.605 175.548 174.900 0.072 0.000 1.002 995 G CA 0.934 46.047 45.100 0.021 0.000 0.730 995 G HN 0.990 nan 8.290 nan 0.000 0.497 996 D N 1.176 121.633 120.400 0.095 0.000 2.221 996 D HA 0.132 4.772 4.640 -0.000 0.000 0.204 996 D C 0.957 177.276 176.300 0.031 0.000 0.982 996 D CA 2.079 56.191 54.000 0.188 0.000 0.857 996 D CB 0.148 41.073 40.800 0.209 0.000 0.934 996 D HN 0.836 nan 8.370 nan 0.000 0.475 997 D N -3.528 116.692 120.400 -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 -0.180 114.809 115.700 -1.185 0.000 2.588 998 S HA 0.258 4.728 4.470 -0.000 0.000 0.245 998 S C -0.502 174.164 174.600 0.109 0.000 1.021 998 S CA -0.641 57.403 58.200 -0.259 0.000 1.006 998 S CB -0.601 62.683 63.200 0.139 0.000 0.830 998 S HN 0.616 nan 8.310 nan 0.000 0.468 999 W N 0.923 122.169 121.300 -0.090 0.000 2.036 999 W HA 0.543 5.203 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 -0.562 56.740 57.345 -0.072 0.000 1.488 999 W CB -0.545 28.812 29.460 -0.172 0.000 1.079 999 W HN 0.171 nan 8.180 nan 0.000 0.506 1000 S N -1.005 114.611 115.700 -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 0.081 0.000 1.215 1001 P CA -0.129 63.004 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 0.689 116.463 115.700 0.124 0.000 2.819 1002 S HA 0.163 4.633 4.470 -0.000 0.000 0.249 1002 S C 0.206 174.885 174.600 0.131 0.000 1.030 1002 S CA -0.363 57.885 58.200 0.080 0.000 1.052 1002 S CB -0.262 62.935 63.200 -0.005 0.000 1.017 1002 S HN 0.117 nan 8.310 nan 0.000 0.576 1003 V N 4.232 124.268 119.914 0.202 0.000 2.408 1003 V HA 0.414 4.534 4.120 -0.000 0.000 0.267 1003 V C 0.783 177.037 176.094 0.266 0.000 1.047 1003 V CA -0.475 61.942 62.300 0.195 0.000 0.937 1003 V CB 0.635 32.532 31.823 0.123 0.000 0.999 1003 V HN 0.650 nan 8.190 nan 0.000 0.472 1004 S N 4.440 120.325 115.700 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 0.273 0.000 1.031 1004 S CB 1.302 64.630 63.200 0.212 0.000 0.892 1004 S HN 1.044 nan 8.310 nan 0.000 0.529 1005 A N 1.917 124.824 122.820 0.145 0.000 1.917 1005 A HA -0.190 4.130 4.320 -0.000 0.000 0.219 1005 A C 1.907 179.492 177.584 0.001 0.000 1.182 1005 A CA 1.981 54.082 52.037 0.106 0.000 0.633 1005 A CB -1.231 17.812 19.000 0.072 0.000 0.819 1005 A HN 0.962 nan 8.150 nan 0.000 0.448 1006 E N -1.049 119.056 120.200 -0.158 0.000 2.396 1006 E HA -0.118 4.232 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 1.052 57.216 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 0.548 120.545 119.950 0.078 0.000 2.654 1007 F HA 0.218 4.745 4.527 -0.000 0.000 0.303 1007 F C 0.547 176.381 175.800 0.057 0.000 1.099 1007 F CA -0.521 57.524 58.000 0.075 0.000 1.270 1007 F CB 0.435 39.479 39.000 0.073 0.000 1.024 1007 F HN -0.168 nan 8.300 nan 0.000 0.548 1008 Q N 1.324 121.236 119.800 0.186 0.000 2.230 1008 Q HA 0.416 4.756 4.340 -0.000 0.000 0.248 1008 Q C -0.229 175.797 176.000 0.043 0.000 0.915 1008 Q CA -0.569 55.320 55.803 0.144 0.000 0.900 1008 Q CB 2.052 30.958 28.738 0.281 0.000 1.229 1008 Q HN 0.259 nan 8.270 nan 0.000 0.439 1009 L N 2.419 123.646 121.223 0.007 0.000 2.399 1009 L HA 0.114 4.454 4.340 -0.000 0.000 0.257 1009 L C 0.670 177.456 176.870 -0.140 0.000 1.236 1009 L CA -0.065 54.753 54.840 -0.036 0.000 1.144 1009 L CB -0.301 41.650 42.059 -0.180 0.000 1.379 1009 L HN 0.696 nan 8.230 nan 0.000 0.414 1010 S N -0.983 114.570 115.700 -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 -0.141 0.000 0.975 1010 S CA 0.161 58.061 58.200 -0.500 0.000 0.949 1010 S CB 0.742 63.632 63.200 -0.516 0.000 0.829 1010 S HN 0.524 nan 8.310 nan 0.000 0.479 1011 A N 1.364 124.145 122.820 -0.064 0.000 2.119 1011 A HA 0.490 4.810 4.320 -0.000 0.000 0.217 1011 A C 2.069 179.502 177.584 -0.251 0.000 1.153 1011 A CA 1.071 52.950 52.037 -0.262 0.000 0.692 1011 A CB -1.178 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 -1.426 107.311 108.800 -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 0.434 175.297 174.900 -0.062 0.000 1.103 1012 G CA 0.388 45.475 45.100 -0.021 0.000 0.647 1012 G HN 0.660 nan 8.290 nan 0.000 0.512 1013 R N -0.598 119.705 120.500 -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 -0.582 55.382 56.100 -0.226 0.000 0.895 1013 R CB 1.592 31.825 30.300 -0.112 0.000 1.191 1013 R HN 0.231 nan 8.270 nan 0.000 0.444 1014 Y N 0.314 120.617 120.300 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 2.717 122.070 119.070 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 55.375 56.048 0.416 0.000 1.196 1015 H CB 1.212 31.115 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 -1.911 173.795 175.900 -0.324 0.000 1.155 1016 Y CA -1.082 56.889 58.100 -0.216 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 2.311 122.077 119.800 -0.056 0.000 2.418 1017 Q HA 0.811 5.151 4.340 -0.000 0.000 0.282 1017 Q C -1.811 174.254 176.000 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 0.187 121.463 121.223 0.087 0.000 2.479 1018 L HA 0.762 5.102 4.340 -0.000 0.000 0.255 1018 L C -1.193 175.786 176.870 0.181 0.000 1.026 1018 L CA -1.215 53.721 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 0.289 120.342 119.914 0.233 0.000 2.531 1019 V HA 0.463 4.583 4.120 -0.000 0.000 0.301 1019 V C -1.107 175.172 176.094 0.309 0.000 1.034 1019 V CA -0.392 62.056 62.300 0.246 0.000 0.865 1019 V CB 2.039 33.980 31.823 0.197 0.000 0.995 1019 V HN 0.607 nan 8.190 nan 0.000 0.424 1023 K N 0.000 120.352 120.400 -0.081 0.000 2.780 1023 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1023 K CA 0.000 56.253 56.287 -0.057 0.000 0.838 1023 K CB 0.000 32.473 32.500 -0.044 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543