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 1f4h_1_A DATA FIRST_RESID 3 DATA SEQUENCE ITDSLAVVLQ RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR DATA SEQUENCE SLNGEWRFAW FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN DATA SEQUENCE VTYPITVNPP FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL DATA SEQUENCE WCNGRWVGYG QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM DATA SEQUENCE WRMSGIFRDV SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD DATA SEQUENCE YLRVTVSLWQ GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS DATA SEQUENCE AEIPNLYRAV VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR DATA SEQUENCE GVNRHEHHPL HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DATA SEQUENCE DRYGLYVVDE ANIETHGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS DATA SEQUENCE VIIWSLGNES GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM DATA SEQUENCE YARVDEDQPF PAVPKWSIKK WLSLPGETRP LILCEYAHAM GNSLGGFAKY DATA SEQUENCE WQAFRQYPRL QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC DATA SEQUENCE MNGLVFADRT PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL DATA SEQUENCE HWMVALDGKP LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ DATA SEQUENCE PNATAWSEAG HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFCIELG DATA SEQUENCE NKRWQFNRQS GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID DATA SEQUENCE PNAWVERWKA AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS DATA SEQUENCE RKTYRIDGSG QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP DATA SEQUENCE QENYPDRLTA ACFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR DATA SEQUENCE GDFQFNISRY SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS DATA SEQUENCE VSAEFQLSAG RYHYQLVWCQ K VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 I HA 0.000 nan 4.170 nan 0.000 0.288 3 I C 0.000 176.143 176.117 0.044 0.000 1.063 3 I CA 0.000 61.327 61.300 0.044 0.000 1.566 3 I CB 0.000 38.018 38.000 0.030 0.000 1.214 4 T N -1.927 112.657 114.554 0.051 0.000 3.244 4 T HA 0.397 4.753 4.350 0.009 0.000 0.254 4 T C 0.372 175.104 174.700 0.053 0.000 1.024 4 T CA 0.498 62.614 62.100 0.025 0.000 0.920 4 T CB -0.370 68.506 68.868 0.015 0.000 1.042 4 T HN 0.339 nan 8.240 nan 0.000 0.572 5 D N 1.182 121.668 120.400 0.142 0.000 2.500 5 D HA 0.139 4.785 4.640 0.009 0.000 0.217 5 D C 0.659 177.177 176.300 0.363 0.000 1.159 5 D CA -0.059 54.143 54.000 0.337 0.000 0.828 5 D CB 0.689 41.719 40.800 0.383 0.000 1.039 5 D HN 0.537 nan 8.370 nan 0.000 0.512 6 S N 0.236 116.031 115.700 0.158 0.000 2.572 6 S HA 0.114 4.590 4.470 0.009 0.000 0.279 6 S C 1.691 176.356 174.600 0.108 0.000 1.341 6 S CA -0.437 57.814 58.200 0.085 0.000 1.043 6 S CB 1.013 64.236 63.200 0.038 0.000 0.887 6 S HN 0.105 nan 8.310 nan 0.000 0.516 7 L N 1.894 123.142 121.223 0.043 0.000 2.079 7 L HA -0.155 4.191 4.340 0.009 0.000 0.210 7 L C 3.042 179.945 176.870 0.056 0.000 1.081 7 L CA 1.465 56.342 54.840 0.062 0.000 0.752 7 L CB -1.498 40.551 42.059 -0.017 0.000 0.896 7 L HN 0.947 nan 8.230 nan 0.000 0.433 8 A N 0.407 123.245 122.820 0.030 0.000 1.873 8 A HA -0.257 4.069 4.320 0.009 0.000 0.219 8 A C 2.357 179.951 177.584 0.016 0.000 1.269 8 A CA 2.771 54.822 52.037 0.022 0.000 0.671 8 A CB -1.164 17.845 19.000 0.014 0.000 0.842 8 A HN 0.187 nan 8.150 nan 0.000 0.460 9 V N -0.866 119.049 119.914 0.002 0.000 2.323 9 V HA -0.192 3.934 4.120 0.009 0.000 0.244 9 V C 2.560 178.610 176.094 -0.075 0.000 1.041 9 V CA 1.699 63.980 62.300 -0.031 0.000 1.025 9 V CB -0.724 31.079 31.823 -0.034 0.000 0.656 9 V HN 0.396 nan 8.190 nan 0.000 0.451 10 V N 0.412 120.268 119.914 -0.096 0.000 2.221 10 V HA -0.306 3.819 4.120 0.009 0.000 0.244 10 V C 2.287 178.328 176.094 -0.089 0.000 1.043 10 V CA 2.431 64.594 62.300 -0.227 0.000 0.996 10 V CB -0.752 30.920 31.823 -0.250 0.000 0.636 10 V HN 0.462 nan 8.190 nan 0.000 0.454 11 L N 0.482 121.740 121.223 0.057 0.000 2.456 11 L HA -0.270 4.075 4.340 0.009 0.000 0.225 11 L C 2.557 179.563 176.870 0.226 0.000 1.142 11 L CA 1.737 56.749 54.840 0.287 0.000 0.796 11 L CB -1.048 41.176 42.059 0.274 0.000 0.920 11 L HN 0.572 nan 8.230 nan 0.000 0.446 12 Q N 1.006 120.847 119.800 0.070 0.000 2.030 12 Q HA -0.225 4.120 4.340 0.009 0.000 0.204 12 Q C 2.309 178.286 176.000 -0.039 0.000 0.986 12 Q CA 1.667 57.480 55.803 0.015 0.000 0.843 12 Q CB -0.232 28.493 28.738 -0.021 0.000 0.904 12 Q HN 0.229 nan 8.270 nan 0.000 0.420 13 R N 0.235 120.692 120.500 -0.072 0.000 2.127 13 R HA -0.030 4.316 4.340 0.009 0.000 0.238 13 R C 0.413 176.566 176.300 -0.244 0.000 1.134 13 R CA 1.165 57.185 56.100 -0.133 0.000 0.975 13 R CB -0.329 29.890 30.300 -0.135 0.000 0.865 13 R HN 0.434 nan 8.270 nan 0.000 0.447 14 R N 0.740 121.022 120.500 -0.363 0.000 3.267 14 R HA -0.129 4.216 4.340 0.009 0.000 0.254 14 R C -0.013 175.811 176.300 -0.793 0.000 0.993 14 R CA 0.498 55.949 56.100 -1.081 0.000 0.670 14 R CB -1.186 28.573 30.300 -0.902 0.000 1.125 14 R HN 0.331 nan 8.270 nan 0.000 0.434 15 D N -0.469 119.688 120.400 -0.404 0.000 2.263 15 D HA -0.191 4.454 4.640 0.009 0.000 0.208 15 D C 1.567 177.790 176.300 -0.128 0.000 0.971 15 D CA 1.733 55.535 54.000 -0.331 0.000 0.867 15 D CB -0.141 40.325 40.800 -0.556 0.000 0.929 15 D HN 0.737 nan 8.370 nan 0.000 0.492 16 W N 1.528 122.821 121.300 -0.012 0.000 2.961 16 W HA 0.100 4.765 4.660 0.009 0.000 0.240 16 W C 0.627 177.243 176.519 0.161 0.000 1.305 16 W CA -0.074 57.394 57.345 0.206 0.000 1.465 16 W CB -0.133 29.497 29.460 0.283 0.000 1.135 16 W HN -0.202 nan 8.180 nan 0.000 0.688 17 E N 1.273 121.279 120.200 -0.325 0.000 3.167 17 E HA 0.054 4.410 4.350 0.009 0.000 0.210 17 E C -0.717 175.695 176.600 -0.313 0.000 1.004 17 E CA -0.164 56.066 56.400 -0.283 0.000 1.256 17 E CB -0.266 29.241 29.700 -0.321 0.000 1.193 17 E HN 0.074 nan 8.360 nan 0.000 0.448 18 N N 1.280 119.845 118.700 -0.225 0.000 2.664 18 N HA 0.094 4.839 4.740 0.009 0.000 0.268 18 N C -2.252 173.103 175.510 -0.258 0.000 1.222 18 N CA -1.705 51.187 53.050 -0.263 0.000 0.805 18 N CB 1.450 39.803 38.487 -0.225 0.000 1.399 18 N HN -0.159 nan 8.380 nan 0.000 0.547 19 P HA -0.024 nan 4.420 nan 0.000 0.224 19 P C 0.918 177.929 177.300 -0.482 0.000 1.142 19 P CA 0.915 63.616 63.100 -0.665 0.000 0.778 19 P CB 0.106 30.912 31.700 -1.489 0.000 0.764 20 G N -1.015 107.566 108.800 -0.365 0.000 3.189 20 G HA2 0.254 4.219 3.960 0.009 0.000 0.225 20 G HA3 0.254 4.219 3.960 0.009 0.000 0.225 20 G C -0.107 174.701 174.900 -0.154 0.000 1.159 20 G CA 0.052 44.996 45.100 -0.261 0.000 0.763 20 G HN 0.193 nan 8.290 nan 0.000 0.549 21 V N 1.235 121.083 119.914 -0.110 0.000 2.462 21 V HA 0.280 4.405 4.120 0.009 0.000 0.288 21 V C 0.730 176.867 176.094 0.072 0.000 1.020 21 V CA -0.087 62.204 62.300 -0.014 0.000 0.857 21 V CB 1.503 33.319 31.823 -0.013 0.000 1.013 21 V HN 0.325 nan 8.190 nan 0.000 0.431 22 T N 1.088 115.675 114.554 0.054 0.000 3.000 22 T HA 0.269 4.625 4.350 0.009 0.000 0.248 22 T C 0.327 175.035 174.700 0.014 0.000 1.034 22 T CA 0.162 62.285 62.100 0.037 0.000 1.060 22 T CB 0.406 69.255 68.868 -0.031 0.000 0.983 22 T HN 0.647 nan 8.240 nan 0.000 0.482 23 Q N 0.145 119.984 119.800 0.066 0.000 2.482 23 Q HA 0.743 5.089 4.340 0.009 0.000 0.286 23 Q C -2.127 173.974 176.000 0.168 0.000 1.007 23 Q CA -1.163 54.670 55.803 0.050 0.000 0.801 23 Q CB 1.353 30.055 28.738 -0.061 0.000 1.455 23 Q HN 0.062 nan 8.270 nan 0.000 0.398 24 L N 2.600 123.955 121.223 0.220 0.000 2.504 24 L HA 0.556 4.902 4.340 0.009 0.000 0.265 24 L C -1.073 175.928 176.870 0.219 0.000 0.975 24 L CA 0.112 55.118 54.840 0.277 0.000 0.864 24 L CB 1.116 43.479 42.059 0.506 0.000 1.212 24 L HN 0.810 nan 8.230 nan 0.000 0.416 25 N N 1.789 120.583 118.700 0.156 0.000 2.815 25 N HA -0.190 4.555 4.740 0.009 0.000 0.249 25 N C 0.133 175.691 175.510 0.079 0.000 1.114 25 N CA 0.607 53.741 53.050 0.139 0.000 0.717 25 N CB -0.702 37.854 38.487 0.115 0.000 1.074 25 N HN 0.608 nan 8.380 nan 0.000 0.555 26 R N 0.854 121.303 120.500 -0.085 0.000 2.265 26 R HA 0.421 4.767 4.340 0.009 0.000 0.319 26 R C 0.516 176.694 176.300 -0.203 0.000 1.006 26 R CA -0.513 55.381 56.100 -0.343 0.000 0.880 26 R CB 0.624 30.703 30.300 -0.368 0.000 1.077 26 R HN 0.136 nan 8.270 nan 0.000 0.454 27 L N 3.429 124.513 121.223 -0.232 0.000 2.506 27 L HA 0.102 4.447 4.340 0.009 0.000 0.281 27 L C 0.806 177.637 176.870 -0.064 0.000 1.228 27 L CA -0.128 54.658 54.840 -0.090 0.000 0.850 27 L CB 0.454 42.483 42.059 -0.049 0.000 1.110 27 L HN 0.775 nan 8.230 nan 0.000 0.496 28 A N 2.553 125.379 122.820 0.010 0.000 2.466 28 A HA 0.459 4.784 4.320 0.009 0.000 0.238 28 A C 0.448 178.065 177.584 0.054 0.000 1.074 28 A CA 0.155 52.209 52.037 0.029 0.000 0.774 28 A CB 0.221 19.265 19.000 0.074 0.000 1.015 28 A HN 0.848 nan 8.150 nan 0.000 0.498 29 A N 1.034 123.840 122.820 -0.023 0.000 2.296 29 A HA 0.699 5.025 4.320 0.009 0.000 0.264 29 A C 0.116 177.654 177.584 -0.078 0.000 1.097 29 A CA 0.589 52.540 52.037 -0.143 0.000 0.811 29 A CB -0.029 18.882 19.000 -0.149 0.000 1.072 29 A HN 2.150 nan 8.150 nan 0.000 0.495 30 H N -3.560 115.419 119.070 -0.153 0.000 2.919 30 H HA 0.512 5.074 4.556 0.009 0.000 0.270 30 H C -3.429 171.662 175.328 -0.394 0.000 1.412 30 H CA -1.537 54.374 56.048 -0.228 0.000 1.261 30 H CB -0.213 29.419 29.762 -0.217 0.000 1.850 30 H HN 0.421 nan 8.280 nan 0.000 0.478 31 P HA 0.157 nan 4.420 nan 0.000 0.270 31 P C -2.562 174.511 177.300 -0.378 0.000 1.227 31 P CA -1.208 61.705 63.100 -0.312 0.000 0.788 31 P CB -0.455 30.988 31.700 -0.429 0.000 0.926 32 P HA 0.090 nan 4.420 nan 0.000 0.262 32 P C -0.781 176.568 177.300 0.082 0.000 1.199 32 P CA 0.850 63.899 63.100 -0.086 0.000 0.763 32 P CB -0.178 31.554 31.700 0.053 0.000 0.790 33 F N 1.447 121.533 119.950 0.226 0.000 2.523 33 F HA 0.621 5.153 4.527 0.009 0.000 0.329 33 F C 1.163 176.960 175.800 -0.005 0.000 1.061 33 F CA -1.028 57.060 58.000 0.146 0.000 0.967 33 F CB 1.899 40.940 39.000 0.068 0.000 1.218 33 F HN 0.223 nan 8.300 nan 0.000 0.480 34 A N 0.297 123.184 122.820 0.113 0.000 2.653 34 A HA 0.267 4.592 4.320 0.009 0.000 0.248 34 A C 0.663 178.052 177.584 -0.326 0.000 1.211 34 A CA 0.229 52.069 52.037 -0.329 0.000 0.991 34 A CB -0.159 18.261 19.000 -0.967 0.000 1.252 34 A HN 0.730 nan 8.150 nan 0.000 0.593 35 S N 0.544 116.183 115.700 -0.103 0.000 3.477 35 S HA -0.155 4.320 4.470 0.009 0.000 0.371 35 S C 0.246 174.841 174.600 -0.009 0.000 0.965 35 S CA 0.505 58.656 58.200 -0.081 0.000 1.239 35 S CB -1.493 61.617 63.200 -0.149 0.000 0.918 35 S HN 0.510 nan 8.310 nan 0.000 0.498 36 W N 0.953 122.251 121.300 -0.004 0.000 2.079 36 W HA 0.221 4.887 4.660 0.009 0.000 0.354 36 W C 1.486 177.998 176.519 -0.012 0.000 1.302 36 W CA -0.435 56.913 57.345 0.005 0.000 1.281 36 W CB 0.169 29.630 29.460 0.000 0.000 1.165 36 W HN 0.313 nan 8.180 nan 0.000 0.603 37 R N 0.789 121.453 120.500 0.273 0.000 2.590 37 R HA 0.073 4.418 4.340 0.009 0.000 0.410 37 R C -0.588 175.780 176.300 0.114 0.000 1.010 37 R CA -0.262 55.926 56.100 0.147 0.000 1.155 37 R CB -0.165 30.196 30.300 0.102 0.000 1.455 37 R HN 0.484 nan 8.270 nan 0.000 0.567 38 N N 0.289 119.064 118.700 0.125 0.000 2.594 38 N HA -0.021 4.725 4.740 0.009 0.000 0.280 38 N C 0.804 176.267 175.510 -0.078 0.000 1.156 38 N CA 0.018 53.088 53.050 0.032 0.000 0.831 38 N CB 1.560 40.069 38.487 0.037 0.000 1.379 38 N HN -0.075 nan 8.380 nan 0.000 0.536 39 S N 2.680 118.315 115.700 -0.109 0.000 2.390 39 S HA -0.300 4.175 4.470 0.009 0.000 0.234 39 S C 1.401 175.821 174.600 -0.300 0.000 1.063 39 S CA 1.595 59.675 58.200 -0.200 0.000 1.108 39 S CB -0.398 62.718 63.200 -0.140 0.000 0.975 39 S HN 0.700 nan 8.310 nan 0.000 0.442 40 E N 0.903 120.968 120.200 -0.224 0.000 2.086 40 E HA -0.200 4.155 4.350 0.009 0.000 0.200 40 E C 2.260 178.685 176.600 -0.292 0.000 1.012 40 E CA 1.802 58.045 56.400 -0.261 0.000 0.812 40 E CB -0.404 29.191 29.700 -0.174 0.000 0.743 40 E HN 0.790 nan 8.360 nan 0.000 0.453 41 E N 0.341 120.401 120.200 -0.233 0.000 2.047 41 E HA -0.142 4.214 4.350 0.009 0.000 0.191 41 E C 2.117 178.368 176.600 -0.582 0.000 0.987 41 E CA 0.848 57.130 56.400 -0.196 0.000 0.799 41 E CB -0.147 29.588 29.700 0.058 0.000 0.752 41 E HN 0.198 nan 8.360 nan 0.000 0.449 42 A N 1.880 124.034 122.820 -1.110 0.000 1.940 42 A HA -0.256 4.070 4.320 0.009 0.000 0.219 42 A C 2.140 179.112 177.584 -1.020 0.000 1.176 42 A CA 1.869 52.738 52.037 -1.947 0.000 0.631 42 A CB -0.566 17.666 19.000 -1.279 0.000 0.814 42 A HN 0.142 nan 8.150 nan 0.000 0.446 43 R N -0.165 119.941 120.500 -0.658 0.000 2.090 43 R HA -0.093 4.252 4.340 0.009 0.000 0.228 43 R C 1.640 177.709 176.300 -0.384 0.000 1.110 43 R CA 1.948 57.729 56.100 -0.532 0.000 0.973 43 R CB -0.464 29.426 30.300 -0.683 0.000 0.869 43 R HN 0.548 nan 8.270 nan 0.000 0.440 44 T N -2.166 112.193 114.554 -0.325 0.000 3.144 44 T HA 0.075 4.431 4.350 0.009 0.000 0.249 44 T C 0.128 174.783 174.700 -0.075 0.000 1.089 44 T CA 0.209 62.204 62.100 -0.176 0.000 0.989 44 T CB 0.048 68.835 68.868 -0.136 0.000 0.992 44 T HN 0.301 nan 8.240 nan 0.000 0.540 45 D N 1.321 121.657 120.400 -0.108 0.000 2.689 45 D HA -0.165 4.481 4.640 0.009 0.000 0.237 45 D C -0.104 176.340 176.300 0.241 0.000 1.148 45 D CA 0.447 54.524 54.000 0.128 0.000 0.656 45 D CB -1.133 39.757 40.800 0.149 0.000 1.050 45 D HN 0.575 nan 8.370 nan 0.000 0.426 46 R N 0.340 120.997 120.500 0.261 0.000 2.459 46 R HA 0.454 4.799 4.340 0.009 0.000 0.281 46 R C -2.034 174.526 176.300 0.432 0.000 1.050 46 R CA -1.528 54.738 56.100 0.275 0.000 1.055 46 R CB 0.712 31.114 30.300 0.170 0.000 1.045 46 R HN 0.064 nan 8.270 nan 0.000 0.495 47 P HA -0.056 nan 4.420 nan 0.000 0.267 47 P C -0.789 176.546 177.300 0.059 0.000 1.200 47 P CA 0.083 63.265 63.100 0.136 0.000 0.772 47 P CB 0.712 32.465 31.700 0.088 0.000 0.855 48 S N 1.381 116.997 115.700 -0.140 0.000 2.438 48 S HA 0.080 4.555 4.470 0.009 0.000 0.293 48 S C 1.201 175.778 174.600 -0.039 0.000 1.141 48 S CA -0.558 57.504 58.200 -0.230 0.000 1.080 48 S CB 0.097 62.922 63.200 -0.623 0.000 0.978 48 S HN 0.248 nan 8.310 nan 0.000 0.479 49 Q N 3.159 122.982 119.800 0.039 0.000 2.291 49 Q HA -0.114 4.232 4.340 0.009 0.000 0.206 49 Q C 0.851 176.996 176.000 0.241 0.000 0.976 49 Q CA 1.199 57.078 55.803 0.127 0.000 0.875 49 Q CB -0.141 28.679 28.738 0.137 0.000 0.927 49 Q HN 0.689 nan 8.270 nan 0.000 0.450 50 Q N 0.216 120.104 119.800 0.145 0.000 2.403 50 Q HA 0.167 4.513 4.340 0.009 0.000 0.203 50 Q C -0.104 175.990 176.000 0.157 0.000 0.932 50 Q CA 0.141 56.033 55.803 0.148 0.000 0.945 50 Q CB 0.363 29.076 28.738 -0.040 0.000 1.045 50 Q HN 0.190 nan 8.270 nan 0.000 0.511 51 L N -0.462 120.866 121.223 0.175 0.000 2.446 51 L HA 0.498 4.843 4.340 0.009 0.000 0.268 51 L C -1.458 175.503 176.870 0.151 0.000 0.975 51 L CA -0.598 54.330 54.840 0.146 0.000 0.848 51 L CB 1.383 43.434 42.059 -0.013 0.000 1.225 51 L HN -0.120 nan 8.230 nan 0.000 0.410 52 R N 3.038 123.661 120.500 0.206 0.000 2.393 52 R HA 0.640 4.985 4.340 0.009 0.000 0.310 52 R C -0.359 175.958 176.300 0.028 0.000 0.968 52 R CA -0.723 55.433 56.100 0.092 0.000 0.867 52 R CB 1.866 32.182 30.300 0.025 0.000 1.124 52 R HN 0.665 nan 8.270 nan 0.000 0.450 53 S N 2.326 118.028 115.700 0.003 0.000 2.562 53 S HA 0.317 4.793 4.470 0.009 0.000 0.275 53 S C 0.558 175.146 174.600 -0.021 0.000 1.281 53 S CA -0.737 57.453 58.200 -0.016 0.000 1.045 53 S CB 0.489 63.688 63.200 -0.003 0.000 0.962 53 S HN 0.602 nan 8.310 nan 0.000 0.503 54 L N 3.177 124.385 121.223 -0.024 0.000 2.965 54 L HA 0.364 4.710 4.340 0.009 0.000 0.254 54 L C -0.143 176.873 176.870 0.243 0.000 1.220 54 L CA -0.552 54.313 54.840 0.041 0.000 1.023 54 L CB -0.530 41.477 42.059 -0.087 0.000 1.355 54 L HN 0.432 nan 8.230 nan 0.000 0.545 55 N N 1.960 120.722 118.700 0.103 0.000 2.492 55 N HA 0.490 5.236 4.740 0.009 0.000 0.262 55 N C 0.678 176.289 175.510 0.168 0.000 1.202 55 N CA 0.943 54.041 53.050 0.080 0.000 0.926 55 N CB 1.400 39.880 38.487 -0.012 0.000 1.078 55 N HN 0.390 nan 8.380 nan 0.000 0.454 56 G N 0.806 109.730 108.800 0.207 0.000 2.470 56 G HA2 -0.062 3.903 3.960 0.009 0.000 0.145 56 G HA3 -0.062 3.903 3.960 0.009 0.000 0.145 56 G C -1.292 173.844 174.900 0.394 0.000 1.223 56 G CA -0.807 44.439 45.100 0.242 0.000 1.058 56 G HN 0.496 nan 8.290 nan 0.000 0.469 57 E N -0.383 120.021 120.200 0.341 0.000 2.344 57 E HA 0.490 4.845 4.350 0.009 0.000 0.270 57 E C -1.251 175.634 176.600 0.474 0.000 1.021 57 E CA 0.292 56.884 56.400 0.320 0.000 0.887 57 E CB 0.512 30.313 29.700 0.170 0.000 0.997 57 E HN 0.412 nan 8.360 nan 0.000 0.429 58 W N 1.819 123.194 121.300 0.125 0.000 3.213 58 W HA 0.333 4.998 4.660 0.009 0.000 0.318 58 W C -0.737 175.901 176.519 0.199 0.000 1.248 58 W CA -0.691 56.758 57.345 0.173 0.000 1.187 58 W CB 1.245 30.841 29.460 0.227 0.000 1.403 58 W HN 0.304 nan 8.180 nan 0.000 0.556 59 R N 2.345 123.098 120.500 0.420 0.000 2.254 59 R HA 0.551 4.897 4.340 0.009 0.000 0.318 59 R C -1.071 175.474 176.300 0.409 0.000 1.031 59 R CA -0.583 55.718 56.100 0.336 0.000 0.905 59 R CB 1.118 31.543 30.300 0.208 0.000 1.050 59 R HN 0.328 nan 8.270 nan 0.000 0.456 60 F N 1.425 121.420 119.950 0.075 0.000 2.593 60 F HA 0.722 5.254 4.527 0.009 0.000 0.320 60 F C -1.442 174.272 175.800 -0.144 0.000 1.060 60 F CA -1.049 56.851 58.000 -0.167 0.000 0.940 60 F CB 2.102 40.865 39.000 -0.396 0.000 1.268 60 F HN 0.568 nan 8.300 nan 0.000 0.475 61 A N 3.788 125.755 122.820 -1.421 0.000 2.500 61 A HA 0.394 4.719 4.320 0.009 0.000 0.291 61 A C -2.290 174.593 177.584 -1.168 0.000 1.048 61 A CA -0.467 50.946 52.037 -1.039 0.000 0.791 61 A CB -0.192 18.602 19.000 -0.343 0.000 1.309 61 A HN 0.949 nan 8.150 nan 0.000 0.397 62 W N 2.865 123.410 121.300 -1.258 0.000 2.313 62 W HA 0.735 5.401 4.660 0.009 0.000 0.328 62 W C -1.458 174.801 176.519 -0.434 0.000 1.197 62 W CA 0.213 57.084 57.345 -0.790 0.000 1.235 62 W CB 0.816 29.963 29.460 -0.521 0.000 1.158 62 W HN 0.487 nan 8.180 nan 0.000 0.578 63 F N 5.880 125.279 119.950 -0.919 0.000 2.596 63 F HA 0.262 4.794 4.527 0.009 0.000 0.311 63 F C -1.325 173.746 175.800 -1.214 0.000 1.116 63 F CA -2.503 55.076 58.000 -0.701 0.000 0.957 63 F CB 1.473 40.159 39.000 -0.523 0.000 1.250 63 F HN 0.187 nan 8.300 nan 0.000 0.444 64 P HA -0.078 nan 4.420 nan 0.000 0.217 64 P C -0.097 177.104 177.300 -0.166 0.000 1.148 64 P CA 1.627 64.613 63.100 -0.191 0.000 0.834 64 P CB 0.544 32.304 31.700 0.099 0.000 0.783 65 A N -2.785 119.950 122.820 -0.141 0.000 2.601 65 A HA 0.523 4.849 4.320 0.009 0.000 0.291 65 A C -2.356 175.144 177.584 -0.141 0.000 1.075 65 A CA -1.087 50.898 52.037 -0.087 0.000 0.671 65 A CB 0.372 19.389 19.000 0.028 0.000 1.277 65 A HN -0.280 nan 8.150 nan 0.000 0.417 66 P HA -0.222 nan 4.420 nan 0.000 0.213 66 P C 1.020 178.214 177.300 -0.177 0.000 1.170 66 P CA 2.182 65.147 63.100 -0.226 0.000 0.902 66 P CB -0.113 31.431 31.700 -0.260 0.000 0.789 67 E N 0.027 120.194 120.200 -0.054 0.000 2.396 67 E HA -0.110 4.246 4.350 0.009 0.000 0.200 67 E C 1.597 178.178 176.600 -0.032 0.000 1.023 67 E CA 1.196 57.589 56.400 -0.013 0.000 0.857 67 E CB -0.869 28.866 29.700 0.058 0.000 0.775 67 E HN 0.202 nan 8.360 nan 0.000 0.525 68 A N 1.457 124.256 122.820 -0.035 0.000 2.259 68 A HA 0.179 4.504 4.320 0.009 0.000 0.208 68 A C 0.957 178.510 177.584 -0.052 0.000 1.201 68 A CA -0.148 51.920 52.037 0.052 0.000 0.824 68 A CB 0.086 19.195 19.000 0.182 0.000 0.838 68 A HN 0.068 nan 8.150 nan 0.000 0.485 69 V N 2.415 122.128 119.914 -0.335 0.000 2.546 69 V HA 0.277 4.402 4.120 0.009 0.000 0.284 69 V C -2.227 173.711 176.094 -0.261 0.000 1.050 69 V CA -1.397 60.523 62.300 -0.633 0.000 0.981 69 V CB 1.358 32.668 31.823 -0.856 0.000 0.990 69 V HN 0.325 nan 8.190 nan 0.000 0.474 70 P HA 0.370 nan 4.420 nan 0.000 0.296 70 P C 0.242 177.532 177.300 -0.017 0.000 1.306 70 P CA -0.544 62.527 63.100 -0.048 0.000 0.818 70 P CB 1.502 33.217 31.700 0.024 0.000 0.969 71 E N 1.609 121.799 120.200 -0.017 0.000 2.233 71 E HA -0.237 4.119 4.350 0.009 0.000 0.199 71 E C 1.848 178.442 176.600 -0.010 0.000 1.004 71 E CA 1.982 58.368 56.400 -0.024 0.000 0.819 71 E CB -0.172 29.512 29.700 -0.026 0.000 0.738 71 E HN 0.529 nan 8.360 nan 0.000 0.478 72 S N -0.414 115.301 115.700 0.025 0.000 2.374 72 S HA -0.249 4.227 4.470 0.009 0.000 0.227 72 S C 1.810 176.438 174.600 0.046 0.000 1.037 72 S CA 1.198 59.416 58.200 0.030 0.000 1.024 72 S CB -0.787 62.442 63.200 0.048 0.000 0.861 72 S HN 0.626 nan 8.310 nan 0.000 0.456 73 W N 2.502 123.720 121.300 -0.137 0.000 2.321 73 W HA -0.110 4.555 4.660 0.009 0.000 0.285 73 W C 1.676 178.080 176.519 -0.191 0.000 1.213 73 W CA 1.582 58.834 57.345 -0.155 0.000 1.205 73 W CB -0.465 28.867 29.460 -0.213 0.000 1.134 73 W HN 0.373 nan 8.180 nan 0.000 0.549 74 L N -0.233 120.783 121.223 -0.345 0.000 2.217 74 L HA -0.099 4.246 4.340 0.009 0.000 0.211 74 L C 2.210 178.849 176.870 -0.386 0.000 1.107 74 L CA 1.365 55.839 54.840 -0.609 0.000 0.783 74 L CB -0.838 40.849 42.059 -0.620 0.000 0.919 74 L HN -0.068 nan 8.230 nan 0.000 0.442 75 E N -1.085 118.981 120.200 -0.223 0.000 2.132 75 E HA 0.072 4.428 4.350 0.009 0.000 0.193 75 E C 0.113 176.645 176.600 -0.114 0.000 0.951 75 E CA 0.378 56.696 56.400 -0.137 0.000 0.843 75 E CB 0.463 30.116 29.700 -0.078 0.000 0.807 75 E HN 0.275 nan 8.360 nan 0.000 0.467 76 C N 0.910 120.161 119.300 -0.082 0.000 2.802 76 C HA 0.400 4.865 4.460 0.009 0.000 0.307 76 C C -1.149 173.843 174.990 0.003 0.000 1.222 76 C CA -1.126 57.868 59.018 -0.040 0.000 1.580 76 C CB 0.916 28.650 27.740 -0.010 0.000 2.119 76 C HN 0.260 nan 8.230 nan 0.000 0.479 77 D N 2.602 123.015 120.400 0.022 0.000 2.488 77 D HA 0.231 4.876 4.640 0.009 0.000 0.238 77 D C 0.234 176.608 176.300 0.124 0.000 1.138 77 D CA 0.580 54.637 54.000 0.095 0.000 0.873 77 D CB 0.571 41.413 40.800 0.071 0.000 1.183 77 D HN 0.376 nan 8.370 nan 0.000 0.458 78 L N 4.121 125.458 121.223 0.191 0.000 2.474 78 L HA 0.123 4.469 4.340 0.009 0.000 0.259 78 L C -1.118 175.799 176.870 0.077 0.000 1.232 78 L CA -1.050 53.868 54.840 0.131 0.000 0.821 78 L CB 0.031 42.168 42.059 0.131 0.000 1.108 78 L HN 0.370 nan 8.230 nan 0.000 0.495 79 P HA 0.041 nan 4.420 nan 0.000 0.229 79 P C 0.425 177.735 177.300 0.017 0.000 1.160 79 P CA 0.452 63.570 63.100 0.030 0.000 0.855 79 P CB 0.274 31.986 31.700 0.020 0.000 0.898 80 E N 0.400 120.602 120.200 0.002 0.000 2.489 80 E HA 0.245 4.600 4.350 0.009 0.000 0.193 80 E C 0.761 177.354 176.600 -0.011 0.000 1.057 80 E CA -0.241 56.150 56.400 -0.016 0.000 0.866 80 E CB -1.152 28.521 29.700 -0.046 0.000 0.916 80 E HN 0.083 nan 8.360 nan 0.000 0.500 81 A N 1.839 124.664 122.820 0.009 0.000 2.553 81 A HA 0.077 4.403 4.320 0.009 0.000 0.258 81 A C -0.525 177.090 177.584 0.052 0.000 1.069 81 A CA -0.209 51.841 52.037 0.021 0.000 0.767 81 A CB -0.322 18.719 19.000 0.069 0.000 0.997 81 A HN 0.059 nan 8.150 nan 0.000 0.512 82 D N 1.443 121.885 120.400 0.069 0.000 2.329 82 D HA 0.430 5.076 4.640 0.009 0.000 0.246 82 D C 0.189 176.578 176.300 0.148 0.000 1.111 82 D CA 0.299 54.365 54.000 0.110 0.000 0.941 82 D CB 0.584 41.480 40.800 0.160 0.000 1.169 82 D HN 0.381 nan 8.370 nan 0.000 0.441 83 T N 0.875 115.506 114.554 0.129 0.000 2.806 83 T HA 0.475 4.831 4.350 0.009 0.000 0.290 83 T C -0.459 174.334 174.700 0.155 0.000 0.966 83 T CA -0.364 61.827 62.100 0.150 0.000 1.060 83 T CB 0.774 69.706 68.868 0.108 0.000 0.927 83 T HN 0.054 nan 8.240 nan 0.000 0.485 84 V N 3.815 123.859 119.914 0.216 0.000 3.160 84 V HA 0.599 4.724 4.120 0.009 0.000 0.310 84 V C -0.651 175.572 176.094 0.214 0.000 1.181 84 V CA -0.693 61.703 62.300 0.160 0.000 1.047 84 V CB 2.651 34.570 31.823 0.159 0.000 1.068 84 V HN 0.618 nan 8.190 nan 0.000 0.441 85 V N 2.798 122.805 119.914 0.155 0.000 2.567 85 V HA 0.550 4.675 4.120 0.009 0.000 0.289 85 V C -0.417 175.718 176.094 0.067 0.000 1.049 85 V CA -0.163 62.221 62.300 0.139 0.000 0.969 85 V CB 1.749 33.627 31.823 0.091 0.000 0.995 85 V HN 0.562 nan 8.190 nan 0.000 0.471 86 V N 7.211 127.076 119.914 -0.081 0.000 2.638 86 V HA 0.474 4.600 4.120 0.009 0.000 0.306 86 V C -2.341 173.607 176.094 -0.243 0.000 1.052 86 V CA -1.646 60.456 62.300 -0.329 0.000 0.885 86 V CB 2.563 33.810 31.823 -0.961 0.000 0.999 86 V HN 0.755 nan 8.190 nan 0.000 0.424 87 P HA 0.505 nan 4.420 nan 0.000 0.276 87 P C -0.794 176.412 177.300 -0.158 0.000 1.244 87 P CA -0.130 62.827 63.100 -0.238 0.000 0.801 87 P CB 1.512 33.094 31.700 -0.196 0.000 1.006 88 S N 0.080 115.699 115.700 -0.134 0.000 2.645 88 S HA 0.347 4.822 4.470 0.009 0.000 0.268 88 S C -1.457 173.059 174.600 -0.141 0.000 1.110 88 S CA -1.023 57.092 58.200 -0.142 0.000 0.823 88 S CB 0.186 63.314 63.200 -0.119 0.000 1.091 88 S HN 0.354 nan 8.310 nan 0.000 0.466 89 N N 1.018 119.565 118.700 -0.255 0.000 2.424 89 N HA 0.445 5.191 4.740 0.009 0.000 0.271 89 N C 0.477 175.795 175.510 -0.320 0.000 0.985 89 N CA -0.759 52.123 53.050 -0.280 0.000 0.921 89 N CB 0.745 39.046 38.487 -0.309 0.000 1.149 89 N HN 0.833 nan 8.380 nan 0.000 0.492 90 W N 2.676 123.828 121.300 -0.247 0.000 2.468 90 W HA -0.077 4.589 4.660 0.010 0.000 0.262 90 W C 0.779 177.299 176.519 0.002 0.000 1.241 90 W CA 0.658 57.874 57.345 -0.215 0.000 1.232 90 W CB -0.232 29.040 29.460 -0.315 0.000 1.124 90 W HN 0.503 nan 8.180 nan 0.000 0.597 91 Q N 0.266 120.002 119.800 -0.108 0.000 2.369 91 Q HA -0.067 4.278 4.340 0.009 0.000 0.206 91 Q C 1.845 177.821 176.000 -0.040 0.000 0.963 91 Q CA 1.114 56.913 55.803 -0.007 0.000 0.894 91 Q CB -0.557 28.057 28.738 -0.207 0.000 0.965 91 Q HN 0.203 nan 8.270 nan 0.000 0.475 92 M N -0.983 118.536 119.600 -0.136 0.000 2.659 92 M HA -0.006 4.480 4.480 0.009 0.000 0.243 92 M C 0.357 176.705 176.300 0.080 0.000 1.111 92 M CA 1.108 56.323 55.300 -0.143 0.000 1.070 92 M CB -0.188 32.256 32.600 -0.260 0.000 1.525 92 M HN 0.297 nan 8.290 nan 0.000 0.517 93 H N -2.279 116.908 119.070 0.195 0.000 2.893 93 H HA 0.404 4.966 4.556 0.009 0.000 0.270 93 H C 1.089 176.475 175.328 0.096 0.000 1.095 93 H CA 0.143 56.346 56.048 0.257 0.000 1.186 93 H CB 0.664 30.746 29.762 0.534 0.000 1.562 93 H HN 0.390 nan 8.280 nan 0.000 0.536 94 G N 0.651 109.565 108.800 0.190 0.000 2.132 94 G HA2 -0.339 3.626 3.960 0.009 0.000 0.234 94 G HA3 -0.339 3.626 3.960 0.009 0.000 0.234 94 G C 0.142 174.914 174.900 -0.214 0.000 0.989 94 G CA 0.339 45.420 45.100 -0.032 0.000 0.676 94 G HN 0.394 nan 8.290 nan 0.000 0.522 95 Y N 1.491 121.816 120.300 0.041 0.000 2.176 95 Y HA 0.256 4.812 4.550 0.009 0.000 0.291 95 Y C 1.704 177.346 175.900 -0.431 0.000 1.122 95 Y CA 1.586 59.520 58.100 -0.277 0.000 1.128 95 Y CB 0.066 38.303 38.460 -0.371 0.000 1.005 95 Y HN 0.548 nan 8.280 nan 0.000 0.509 96 D N -1.629 118.838 120.400 0.111 0.000 2.636 96 D HA 0.545 5.190 4.640 0.009 0.000 0.275 96 D C -0.911 175.458 176.300 0.115 0.000 1.130 96 D CA -0.984 53.066 54.000 0.084 0.000 1.031 96 D CB 0.720 41.703 40.800 0.305 0.000 1.451 96 D HN 0.072 nan 8.370 nan 0.000 0.505 97 A N -0.203 122.695 122.820 0.130 0.000 2.371 97 A HA 0.619 4.944 4.320 0.009 0.000 0.257 97 A C -2.330 175.272 177.584 0.031 0.000 1.089 97 A CA -0.991 51.113 52.037 0.111 0.000 0.794 97 A CB -0.163 18.964 19.000 0.212 0.000 1.029 97 A HN 0.505 nan 8.150 nan 0.000 0.488 98 P HA 0.492 nan 4.420 nan 0.000 0.296 98 P C -0.982 176.463 177.300 0.242 0.000 1.306 98 P CA -0.085 62.911 63.100 -0.174 0.000 0.818 98 P CB 0.893 32.134 31.700 -0.766 0.000 0.969 99 I N 3.722 124.564 120.570 0.454 0.000 2.330 99 I HA 0.200 4.376 4.170 0.009 0.000 0.289 99 I C -0.225 176.164 176.117 0.454 0.000 1.001 99 I CA -0.962 60.635 61.300 0.494 0.000 1.193 99 I CB 0.838 39.037 38.000 0.331 0.000 1.345 99 I HN 0.323 nan 8.210 nan 0.000 0.461 100 Y N 6.958 127.284 120.300 0.042 0.000 2.595 100 Y HA 0.379 4.935 4.550 0.009 0.000 0.347 100 Y C -0.064 175.690 175.900 -0.242 0.000 1.025 100 Y CA -0.342 57.419 58.100 -0.565 0.000 1.295 100 Y CB 0.657 38.044 38.460 -1.787 0.000 1.147 100 Y HN 0.493 nan 8.280 nan 0.000 0.515 101 T N 5.061 119.237 114.554 -0.630 0.000 2.861 101 T HA 0.262 4.618 4.350 0.009 0.000 0.287 101 T C 0.498 174.855 174.700 -0.571 0.000 1.003 101 T CA -0.548 61.178 62.100 -0.624 0.000 0.977 101 T CB 1.115 69.811 68.868 -0.286 0.000 0.996 101 T HN 0.884 nan 8.240 nan 0.000 0.448 102 N N 2.440 120.798 118.700 -0.570 0.000 2.158 102 N HA -0.014 4.731 4.740 0.009 0.000 0.190 102 N C 1.581 176.869 175.510 -0.371 0.000 1.060 102 N CA 0.952 53.785 53.050 -0.362 0.000 0.872 102 N CB 0.087 38.333 38.487 -0.402 0.000 1.055 102 N HN 0.366 nan 8.380 nan 0.000 0.452 103 V N 0.351 119.960 119.914 -0.508 0.000 2.341 103 V HA -0.010 4.116 4.120 0.009 0.000 0.240 103 V C 0.647 176.426 176.094 -0.526 0.000 1.035 103 V CA 0.960 62.864 62.300 -0.661 0.000 1.033 103 V CB -0.612 30.738 31.823 -0.789 0.000 0.678 103 V HN 0.390 nan 8.190 nan 0.000 0.464 104 T N 1.206 115.520 114.554 -0.400 0.000 2.822 104 T HA 0.042 4.398 4.350 0.009 0.000 0.288 104 T C -0.351 174.213 174.700 -0.227 0.000 0.991 104 T CA 0.425 62.364 62.100 -0.269 0.000 1.176 104 T CB -0.553 68.195 68.868 -0.200 0.000 0.951 104 T HN 0.203 nan 8.240 nan 0.000 0.526 105 Y N 5.247 125.428 120.300 -0.199 0.000 2.597 105 Y HA 0.075 4.630 4.550 0.009 0.000 0.336 105 Y C -0.871 174.892 175.900 -0.228 0.000 1.216 105 Y CA -1.788 56.179 58.100 -0.221 0.000 1.463 105 Y CB 0.429 38.727 38.460 -0.270 0.000 1.303 105 Y HN 0.554 nan 8.280 nan 0.000 0.576 106 P HA -0.142 nan 4.420 nan 0.000 0.218 106 P C 0.155 177.283 177.300 -0.287 0.000 1.149 106 P CA 1.499 64.518 63.100 -0.135 0.000 0.817 106 P CB 0.155 31.819 31.700 -0.059 0.000 0.785 107 I N -5.049 115.240 120.570 -0.469 0.000 3.217 107 I HA 0.467 4.643 4.170 0.009 0.000 0.308 107 I C -0.625 175.311 176.117 -0.300 0.000 1.091 107 I CA -1.058 59.947 61.300 -0.492 0.000 1.013 107 I CB 1.491 39.004 38.000 -0.812 0.000 1.250 107 I HN -0.447 nan 8.210 nan 0.000 0.496 108 T N 2.603 117.023 114.554 -0.224 0.000 2.794 108 T HA 0.269 4.625 4.350 0.009 0.000 0.296 108 T C 0.097 174.702 174.700 -0.158 0.000 0.949 108 T CA -0.336 61.683 62.100 -0.136 0.000 1.101 108 T CB 0.830 69.665 68.868 -0.055 0.000 0.905 108 T HN 0.373 nan 8.240 nan 0.000 0.516 109 V N 5.139 124.965 119.914 -0.147 0.000 2.409 109 V HA 0.173 4.298 4.120 0.009 0.000 0.270 109 V C 0.786 176.919 176.094 0.065 0.000 1.019 109 V CA -0.030 62.202 62.300 -0.113 0.000 1.066 109 V CB -0.553 31.192 31.823 -0.130 0.000 1.021 109 V HN 0.827 nan 8.190 nan 0.000 0.476 110 N N 5.327 124.167 118.700 0.232 0.000 2.679 110 N HA 0.251 4.997 4.740 0.009 0.000 0.240 110 N C -3.072 172.558 175.510 0.200 0.000 1.537 110 N CA -1.193 51.993 53.050 0.228 0.000 0.793 110 N CB 1.398 40.042 38.487 0.263 0.000 1.391 110 N HN 0.267 nan 8.380 nan 0.000 0.524 111 P HA 0.192 nan 4.420 nan 0.000 0.264 111 P C -2.325 174.748 177.300 -0.379 0.000 1.193 111 P CA -0.732 61.994 63.100 -0.623 0.000 0.763 111 P CB 0.394 31.698 31.700 -0.660 0.000 0.810 112 P HA 0.282 nan 4.420 nan 0.000 0.257 112 P C -0.854 176.079 177.300 -0.610 0.000 1.737 112 P CA -0.271 62.379 63.100 -0.750 0.000 1.130 112 P CB -0.063 31.275 31.700 -0.602 0.000 1.572 113 F N -0.580 119.396 119.950 0.042 0.000 2.399 113 F HA 0.396 4.929 4.527 0.010 0.000 0.334 113 F C 0.986 176.951 175.800 0.275 0.000 1.097 113 F CA -0.967 57.119 58.000 0.144 0.000 1.076 113 F CB 1.245 40.285 39.000 0.067 0.000 1.162 113 F HN -0.268 nan 8.300 nan 0.000 0.495 114 V N 2.762 122.953 119.914 0.460 0.000 3.177 114 V HA 0.515 4.641 4.120 0.009 0.000 0.319 114 V C -2.075 174.212 176.094 0.322 0.000 1.125 114 V CA -2.158 60.362 62.300 0.366 0.000 1.029 114 V CB 2.283 34.401 31.823 0.492 0.000 1.119 114 V HN 0.519 nan 8.190 nan 0.000 0.452 115 P HA 0.226 nan 4.420 nan 0.000 0.277 115 P C 0.614 178.110 177.300 0.326 0.000 1.240 115 P CA -0.110 63.142 63.100 0.253 0.000 0.798 115 P CB 0.573 32.403 31.700 0.216 0.000 0.979 116 T N -1.962 112.739 114.554 0.246 0.000 2.857 116 T HA -0.093 4.262 4.350 0.009 0.000 0.266 116 T C 0.315 175.148 174.700 0.222 0.000 1.048 116 T CA 0.762 63.002 62.100 0.234 0.000 1.139 116 T CB -0.781 68.185 68.868 0.163 0.000 0.874 116 T HN 0.345 nan 8.240 nan 0.000 0.455 117 E N 2.888 123.222 120.200 0.223 0.000 1.858 117 E HA 0.332 4.687 4.350 0.009 0.000 0.267 117 E C -0.452 176.327 176.600 0.299 0.000 1.215 117 E CA -0.220 56.315 56.400 0.226 0.000 0.952 117 E CB -0.251 29.587 29.700 0.229 0.000 1.058 117 E HN 0.250 nan 8.360 nan 0.000 0.407 118 N N 3.486 122.310 118.700 0.208 0.000 2.746 118 N HA 0.202 4.948 4.740 0.009 0.000 0.250 118 N C -2.635 172.850 175.510 -0.042 0.000 1.146 118 N CA -2.603 50.558 53.050 0.184 0.000 0.828 118 N CB 0.891 39.516 38.487 0.229 0.000 1.158 118 N HN 0.020 nan 8.380 nan 0.000 0.519 119 P HA -0.061 nan 4.420 nan 0.000 0.212 119 P C -0.478 176.616 177.300 -0.344 0.000 1.069 119 P CA 0.731 63.685 63.100 -0.242 0.000 1.331 119 P CB -0.548 31.364 31.700 0.354 0.000 1.513 120 T N 2.074 116.269 114.554 -0.599 0.000 2.889 120 T HA 0.491 4.847 4.350 0.009 0.000 0.291 120 T C 0.849 175.070 174.700 -0.799 0.000 0.995 120 T CA -0.120 61.696 62.100 -0.473 0.000 1.092 120 T CB 1.080 69.685 68.868 -0.439 0.000 0.954 120 T HN 0.241 nan 8.240 nan 0.000 0.506 121 G N 0.780 109.242 108.800 -0.563 0.000 2.544 121 G HA2 0.499 4.465 3.960 0.009 0.000 0.313 121 G HA3 0.499 4.465 3.960 0.009 0.000 0.313 121 G C -0.589 174.225 174.900 -0.144 0.000 1.316 121 G CA -0.474 44.310 45.100 -0.526 0.000 0.944 121 G HN 0.876 nan 8.290 nan 0.000 0.489 122 C N 2.643 121.682 119.300 -0.436 0.000 2.255 122 C HA 0.535 5.001 4.460 0.009 0.000 0.326 122 C C -0.583 174.544 174.990 0.229 0.000 1.258 122 C CA -1.085 57.811 59.018 -0.203 0.000 1.676 122 C CB -1.409 25.680 27.740 -1.084 0.000 2.314 122 C HN 0.611 nan 8.230 nan 0.000 0.509 123 Y N 1.725 122.368 120.300 0.571 0.000 2.387 123 Y HA 0.613 5.169 4.550 0.009 0.000 0.330 123 Y C 0.839 177.173 175.900 0.723 0.000 1.133 123 Y CA -0.350 58.167 58.100 0.695 0.000 1.152 123 Y CB 1.224 40.059 38.460 0.625 0.000 1.215 123 Y HN 0.708 nan 8.280 nan 0.000 0.466 124 S N 2.503 118.650 115.700 0.744 0.000 2.546 124 S HA 0.818 5.294 4.470 0.009 0.000 0.274 124 S C -1.666 172.856 174.600 -0.130 0.000 1.121 124 S CA -0.824 57.556 58.200 0.301 0.000 0.887 124 S CB 2.245 65.595 63.200 0.250 0.000 1.094 124 S HN 0.623 nan 8.310 nan 0.000 0.474 125 L N 1.056 122.116 121.223 -0.271 0.000 2.565 125 L HA 0.671 5.017 4.340 0.009 0.000 0.261 125 L C -1.418 175.390 176.870 -0.102 0.000 0.932 125 L CA 0.072 54.617 54.840 -0.493 0.000 0.878 125 L CB 2.329 43.540 42.059 -1.413 0.000 1.333 125 L HN 0.876 nan 8.230 nan 0.000 0.409 126 T N 5.091 119.605 114.554 -0.067 0.000 2.779 126 T HA 0.767 5.122 4.350 0.009 0.000 0.280 126 T C -0.842 173.899 174.700 0.068 0.000 0.987 126 T CA -0.148 61.947 62.100 -0.008 0.000 0.966 126 T CB 0.549 69.375 68.868 -0.069 0.000 0.933 126 T HN 0.466 nan 8.240 nan 0.000 0.442 127 F N 0.339 120.204 119.950 -0.142 0.000 2.645 127 F HA 0.705 5.237 4.527 0.009 0.000 0.310 127 F C -1.131 174.609 175.800 -0.100 0.000 1.102 127 F CA -1.445 56.478 58.000 -0.127 0.000 0.952 127 F CB 1.341 40.257 39.000 -0.140 0.000 1.326 127 F HN 0.309 nan 8.300 nan 0.000 0.456 128 N N 0.725 119.304 118.700 -0.201 0.000 2.399 128 N HA 0.652 5.398 4.740 0.009 0.000 0.295 128 N C -1.440 173.967 175.510 -0.171 0.000 1.048 128 N CA -0.889 52.018 53.050 -0.239 0.000 0.886 128 N CB 2.456 40.853 38.487 -0.149 0.000 1.185 128 N HN 0.509 nan 8.380 nan 0.000 0.487 129 V N 0.597 120.396 119.914 -0.192 0.000 2.612 129 V HA 0.250 4.376 4.120 0.009 0.000 0.301 129 V C 0.309 176.293 176.094 -0.184 0.000 1.046 129 V CA -0.837 61.371 62.300 -0.153 0.000 0.946 129 V CB 1.571 33.375 31.823 -0.031 0.000 1.003 129 V HN 0.623 nan 8.190 nan 0.000 0.459 130 D N 1.872 122.077 120.400 -0.325 0.000 2.378 130 D HA 0.020 4.666 4.640 0.009 0.000 0.238 130 D C 1.312 177.571 176.300 -0.069 0.000 1.180 130 D CA 0.115 53.977 54.000 -0.229 0.000 0.895 130 D CB 1.158 41.769 40.800 -0.315 0.000 1.192 130 D HN 0.848 nan 8.370 nan 0.000 0.438 131 E N -0.184 120.000 120.200 -0.026 0.000 2.216 131 E HA -0.129 4.226 4.350 0.009 0.000 0.192 131 E C 1.570 178.209 176.600 0.064 0.000 0.988 131 E CA 0.775 57.186 56.400 0.018 0.000 0.834 131 E CB -0.176 29.527 29.700 0.006 0.000 0.772 131 E HN 0.340 nan 8.360 nan 0.000 0.479 132 S N 0.573 116.319 115.700 0.077 0.000 2.400 132 S HA -0.193 4.283 4.470 0.009 0.000 0.232 132 S C 1.451 176.141 174.600 0.151 0.000 1.025 132 S CA 0.915 59.187 58.200 0.121 0.000 0.993 132 S CB -0.749 62.532 63.200 0.136 0.000 0.808 132 S HN 0.420 nan 8.310 nan 0.000 0.478 133 W N 2.631 123.808 121.300 -0.206 0.000 2.402 133 W HA 0.189 4.854 4.660 0.009 0.000 0.286 133 W C 2.136 178.585 176.519 -0.118 0.000 1.221 133 W CA 0.264 57.386 57.345 -0.370 0.000 1.257 133 W CB -0.452 28.856 29.460 -0.253 0.000 1.120 133 W HN 0.341 nan 8.180 nan 0.000 0.551 134 L N -1.464 119.863 121.223 0.174 0.000 2.558 134 L HA 0.101 4.446 4.340 0.009 0.000 0.225 134 L C 1.774 178.707 176.870 0.104 0.000 1.128 134 L CA 0.688 55.611 54.840 0.139 0.000 0.868 134 L CB -1.436 40.700 42.059 0.128 0.000 1.006 134 L HN -0.062 nan 8.230 nan 0.000 0.454 135 Q N 1.472 121.328 119.800 0.093 0.000 1.941 135 Q HA 0.010 4.355 4.340 0.009 0.000 0.201 135 Q C 0.948 176.999 176.000 0.085 0.000 0.982 135 Q CA 1.439 57.288 55.803 0.076 0.000 0.839 135 Q CB 0.071 28.849 28.738 0.066 0.000 0.904 135 Q HN 0.641 nan 8.270 nan 0.000 0.427 136 E N -1.385 118.884 120.200 0.114 0.000 2.450 136 E HA 0.558 4.914 4.350 0.009 0.000 0.248 136 E C 0.343 177.074 176.600 0.219 0.000 0.930 136 E CA -0.325 56.148 56.400 0.121 0.000 0.854 136 E CB 0.270 30.032 29.700 0.103 0.000 1.355 136 E HN 0.299 nan 8.360 nan 0.000 0.402 137 G N 0.745 109.591 108.800 0.077 0.000 2.894 137 G HA2 -0.265 3.701 3.960 0.009 0.000 0.247 137 G HA3 -0.265 3.701 3.960 0.009 0.000 0.247 137 G C -0.395 174.451 174.900 -0.091 0.000 1.442 137 G CA 0.307 45.317 45.100 -0.150 0.000 0.897 137 G HN 0.599 nan 8.290 nan 0.000 0.550 138 Q N -0.853 118.783 119.800 -0.274 0.000 2.306 138 Q HA 0.686 5.031 4.340 0.009 0.000 0.265 138 Q C -0.985 174.979 176.000 -0.060 0.000 1.022 138 Q CA -0.435 55.311 55.803 -0.095 0.000 0.853 138 Q CB 1.827 30.520 28.738 -0.075 0.000 1.327 138 Q HN 0.548 nan 8.270 nan 0.000 0.449 139 T N 4.037 118.656 114.554 0.107 0.000 2.892 139 T HA 0.361 4.716 4.350 0.009 0.000 0.311 139 T C -0.679 174.125 174.700 0.174 0.000 1.033 139 T CA -0.581 61.627 62.100 0.179 0.000 0.991 139 T CB 0.632 69.702 68.868 0.336 0.000 0.981 139 T HN 0.581 nan 8.240 nan 0.000 0.457 140 R N 3.962 124.541 120.500 0.132 0.000 2.758 140 R HA 0.756 5.102 4.340 0.009 0.000 0.265 140 R C -1.145 175.249 176.300 0.157 0.000 1.016 140 R CA -0.744 55.445 56.100 0.148 0.000 1.040 140 R CB 1.369 31.735 30.300 0.110 0.000 1.152 140 R HN 0.594 nan 8.270 nan 0.000 0.503 141 I N 2.808 123.488 120.570 0.183 0.000 2.646 141 I HA 0.451 4.626 4.170 0.009 0.000 0.299 141 I C -1.205 174.994 176.117 0.136 0.000 1.036 141 I CA -1.213 60.165 61.300 0.129 0.000 1.074 141 I CB 1.859 39.954 38.000 0.159 0.000 1.258 141 I HN 0.610 nan 8.210 nan 0.000 0.430 142 I N 6.413 126.942 120.570 -0.068 0.000 2.498 142 I HA 0.344 4.520 4.170 0.009 0.000 0.290 142 I C -1.429 174.482 176.117 -0.342 0.000 1.032 142 I CA -0.487 60.773 61.300 -0.068 0.000 1.073 142 I CB 1.884 39.844 38.000 -0.067 0.000 1.251 142 I HN 0.366 nan 8.210 nan 0.000 0.426 143 F N 3.839 123.767 119.950 -0.035 0.000 2.375 143 F HA 0.298 4.830 4.527 0.009 0.000 0.361 143 F C 1.133 176.834 175.800 -0.165 0.000 1.117 143 F CA -0.538 57.387 58.000 -0.125 0.000 1.037 143 F CB 1.089 40.037 39.000 -0.087 0.000 1.192 143 F HN 0.428 nan 8.300 nan 0.000 0.452 144 D N 2.275 122.598 120.400 -0.129 0.000 2.371 144 D HA 0.153 4.799 4.640 0.009 0.000 0.221 144 D C 0.830 176.967 176.300 -0.273 0.000 0.986 144 D CA 0.789 54.664 54.000 -0.208 0.000 0.899 144 D CB 0.438 41.055 40.800 -0.305 0.000 0.902 144 D HN 0.682 nan 8.370 nan 0.000 0.530 145 G N -0.737 107.874 108.800 -0.315 0.000 2.219 145 G HA2 0.333 4.299 3.960 0.009 0.000 0.304 145 G HA3 0.333 4.299 3.960 0.009 0.000 0.304 145 G C -1.598 173.039 174.900 -0.438 0.000 1.712 145 G CA -0.646 44.173 45.100 -0.468 0.000 0.905 145 G HN -0.061 nan 8.290 nan 0.000 0.706 146 V N 2.651 122.549 119.914 -0.027 0.000 2.488 146 V HA 0.483 4.609 4.120 0.009 0.000 0.293 146 V C -0.648 175.608 176.094 0.270 0.000 1.027 146 V CA -1.218 61.122 62.300 0.066 0.000 0.862 146 V CB 1.757 33.494 31.823 -0.144 0.000 1.008 146 V HN 0.733 nan 8.190 nan 0.000 0.428 147 N N 2.434 121.320 118.700 0.309 0.000 2.425 147 N HA 0.289 5.035 4.740 0.009 0.000 0.268 147 N C 0.921 176.440 175.510 0.015 0.000 0.991 147 N CA 0.447 53.574 53.050 0.129 0.000 0.931 147 N CB 2.176 40.589 38.487 -0.123 0.000 1.130 147 N HN 0.679 nan 8.380 nan 0.000 0.493 148 S N 2.595 118.327 115.700 0.052 0.000 2.468 148 S HA 0.439 4.915 4.470 0.009 0.000 0.226 148 S C 0.468 175.154 174.600 0.143 0.000 1.051 148 S CA 0.423 58.693 58.200 0.116 0.000 0.943 148 S CB 0.165 63.457 63.200 0.153 0.000 0.810 148 S HN 0.635 nan 8.310 nan 0.000 0.509 149 A N 0.338 123.250 122.820 0.153 0.000 2.594 149 A HA 0.802 5.128 4.320 0.009 0.000 0.291 149 A C -1.141 176.530 177.584 0.145 0.000 1.105 149 A CA -0.891 51.158 52.037 0.021 0.000 0.694 149 A CB 0.916 19.932 19.000 0.026 0.000 1.291 149 A HN 1.133 nan 8.150 nan 0.000 0.410 150 F N -1.459 118.363 119.950 -0.214 0.000 2.773 150 F HA 0.738 5.271 4.527 0.009 0.000 0.314 150 F C -1.106 174.665 175.800 -0.048 0.000 1.160 150 F CA -0.836 57.140 58.000 -0.039 0.000 0.920 150 F CB 0.941 39.916 39.000 -0.042 0.000 1.323 150 F HN 0.656 nan 8.300 nan 0.000 0.457 151 H N 0.864 120.202 119.070 0.447 0.000 2.710 151 H HA 0.864 5.426 4.556 0.010 0.000 0.361 151 H C -1.526 173.967 175.328 0.276 0.000 1.175 151 H CA -0.759 55.486 56.048 0.327 0.000 1.206 151 H CB 2.405 32.422 29.762 0.425 0.000 1.750 151 H HN 0.879 nan 8.280 nan 0.000 0.553 152 L N 0.834 122.043 121.223 -0.023 0.000 2.466 152 L HA 0.439 4.784 4.340 0.009 0.000 0.258 152 L C -2.029 174.570 176.870 -0.453 0.000 0.973 152 L CA -0.445 54.334 54.840 -0.101 0.000 0.826 152 L CB 2.253 44.147 42.059 -0.275 0.000 1.372 152 L HN 0.494 nan 8.230 nan 0.000 0.409 153 W N 3.655 124.893 121.300 -0.103 0.000 3.127 153 W HA 0.606 5.271 4.660 0.010 0.000 0.330 153 W C -1.437 175.001 176.519 -0.134 0.000 1.187 153 W CA -0.774 56.503 57.345 -0.113 0.000 1.198 153 W CB 2.110 31.538 29.460 -0.054 0.000 1.408 153 W HN 0.700 nan 8.180 nan 0.000 0.529 154 C N 4.767 124.123 119.300 0.093 0.000 2.431 154 C HA 0.350 4.816 4.460 0.009 0.000 0.321 154 C C 0.067 175.168 174.990 0.185 0.000 1.202 154 C CA -0.342 58.725 59.018 0.081 0.000 1.398 154 C CB -0.124 27.587 27.740 -0.049 0.000 2.047 154 C HN 0.781 nan 8.230 nan 0.000 0.465 155 N N 3.696 122.472 118.700 0.128 0.000 2.714 155 N HA -0.182 4.564 4.740 0.009 0.000 0.253 155 N C 0.997 176.579 175.510 0.120 0.000 1.024 155 N CA 1.961 55.071 53.050 0.099 0.000 0.726 155 N CB -1.314 37.235 38.487 0.102 0.000 0.908 155 N HN 1.842 nan 8.380 nan 0.000 0.542 156 G N -1.426 107.422 108.800 0.080 0.000 2.257 156 G HA2 -0.410 3.556 3.960 0.009 0.000 0.267 156 G HA3 -0.410 3.556 3.960 0.009 0.000 0.267 156 G C 0.248 175.325 174.900 0.295 0.000 0.984 156 G CA 0.969 46.106 45.100 0.063 0.000 0.626 156 G HN 0.625 nan 8.290 nan 0.000 0.540 157 R N -1.140 119.610 120.500 0.416 0.000 2.486 157 R HA 0.512 4.857 4.340 0.009 0.000 0.286 157 R C -0.124 176.515 176.300 0.565 0.000 0.999 157 R CA -0.802 55.629 56.100 0.552 0.000 0.993 157 R CB 0.909 31.554 30.300 0.574 0.000 1.084 157 R HN 0.225 nan 8.270 nan 0.000 0.487 158 W N 2.769 124.149 121.300 0.134 0.000 2.216 158 W HA 0.147 4.813 4.660 0.009 0.000 0.326 158 W C 0.062 176.384 176.519 -0.328 0.000 1.319 158 W CA -0.079 56.910 57.345 -0.594 0.000 1.213 158 W CB 0.688 29.840 29.460 -0.515 0.000 1.171 158 W HN 0.338 nan 8.180 nan 0.000 0.557 159 V N 4.789 123.927 119.914 -1.294 0.000 2.743 159 V HA 0.570 4.695 4.120 0.009 0.000 0.237 159 V C 0.974 176.086 176.094 -1.637 0.000 1.113 159 V CA 0.872 62.410 62.300 -1.270 0.000 1.141 159 V CB -0.423 30.730 31.823 -1.116 0.000 0.873 159 V HN 0.808 nan 8.190 nan 0.000 0.486 160 G N -1.691 105.833 108.800 -2.126 0.000 2.342 160 G HA2 0.472 4.438 3.960 0.009 0.000 0.297 160 G HA3 0.472 4.438 3.960 0.009 0.000 0.297 160 G C -2.469 172.032 174.900 -0.665 0.000 1.313 160 G CA -0.308 43.947 45.100 -1.409 0.000 0.830 160 G HN -0.007 nan 8.290 nan 0.000 0.506 161 Y N -0.529 119.613 120.300 -0.262 0.000 2.609 161 Y HA 0.760 5.315 4.550 0.009 0.000 0.342 161 Y C 0.006 175.723 175.900 -0.306 0.000 1.058 161 Y CA -0.116 57.774 58.100 -0.351 0.000 1.055 161 Y CB 2.425 40.797 38.460 -0.148 0.000 1.292 161 Y HN 1.391 nan 8.280 nan 0.000 0.476 162 G N 3.322 111.288 108.800 -1.390 0.000 2.733 162 G HA2 0.484 4.450 3.960 0.009 0.000 0.297 162 G HA3 0.484 4.450 3.960 0.009 0.000 0.297 162 G C -2.234 172.082 174.900 -0.973 0.000 1.452 162 G CA -0.924 43.609 45.100 -0.944 0.000 0.940 162 G HN 0.615 nan 8.290 nan 0.000 0.547 163 Q N 0.072 119.576 119.800 -0.494 0.000 2.418 163 Q HA 0.653 4.999 4.340 0.009 0.000 0.276 163 Q C -1.045 174.905 176.000 -0.084 0.000 1.081 163 Q CA -0.826 54.836 55.803 -0.236 0.000 0.864 163 Q CB 2.312 30.993 28.738 -0.095 0.000 1.384 163 Q HN 0.646 nan 8.270 nan 0.000 0.467 164 D N -0.311 120.100 120.400 0.018 0.000 4.303 164 D HA -0.100 4.546 4.640 0.009 0.000 0.230 164 D C -0.294 176.060 176.300 0.089 0.000 1.172 164 D CA 0.600 54.636 54.000 0.061 0.000 1.001 164 D CB -0.607 40.216 40.800 0.038 0.000 0.641 164 D HN 0.565 nan 8.370 nan 0.000 0.296 165 S N 3.468 119.249 115.700 0.135 0.000 2.474 165 S HA -0.156 4.319 4.470 0.009 0.000 0.235 165 S C 1.723 176.471 174.600 0.246 0.000 0.997 165 S CA 0.998 59.326 58.200 0.214 0.000 0.949 165 S CB 0.052 63.367 63.200 0.192 0.000 0.766 165 S HN 0.671 nan 8.310 nan 0.000 0.517 166 R N 0.447 121.045 120.500 0.163 0.000 2.290 166 R HA 0.384 4.730 4.340 0.009 0.000 0.197 166 R C 0.283 176.647 176.300 0.108 0.000 0.913 166 R CA 0.060 56.255 56.100 0.159 0.000 1.040 166 R CB -0.297 30.104 30.300 0.168 0.000 0.992 166 R HN 0.353 nan 8.270 nan 0.000 0.500 167 L N 2.331 123.590 121.223 0.060 0.000 2.322 167 L HA 0.492 4.837 4.340 0.009 0.000 0.269 167 L C -2.365 174.488 176.870 -0.029 0.000 1.012 167 L CA -2.612 52.232 54.840 0.007 0.000 0.815 167 L CB 2.012 44.066 42.059 -0.008 0.000 1.295 167 L HN -0.203 nan 8.230 nan 0.000 0.438 168 P HA 0.121 nan 4.420 nan 0.000 0.271 168 P C -1.342 175.930 177.300 -0.047 0.000 1.218 168 P CA -0.366 62.700 63.100 -0.056 0.000 0.780 168 P CB 0.801 32.434 31.700 -0.112 0.000 0.901 169 S N 0.818 116.547 115.700 0.048 0.000 2.502 169 S HA 0.574 5.049 4.470 0.009 0.000 0.304 169 S C -0.725 173.869 174.600 -0.011 0.000 1.097 169 S CA -0.892 57.283 58.200 -0.042 0.000 1.045 169 S CB 1.643 64.829 63.200 -0.024 0.000 1.019 169 S HN 0.361 nan 8.310 nan 0.000 0.481 170 E N 1.412 121.402 120.200 -0.351 0.000 2.234 170 E HA 0.560 4.916 4.350 0.009 0.000 0.266 170 E C -1.515 174.791 176.600 -0.490 0.000 0.877 170 E CA -0.517 55.764 56.400 -0.198 0.000 0.758 170 E CB 1.583 31.253 29.700 -0.051 0.000 1.170 170 E HN 0.551 nan 8.360 nan 0.000 0.415 171 F N 0.662 120.684 119.950 0.120 0.000 2.561 171 F HA 0.264 4.797 4.527 0.010 0.000 0.321 171 F C 0.270 176.108 175.800 0.063 0.000 1.065 171 F CA -1.083 56.949 58.000 0.052 0.000 0.934 171 F CB 1.264 40.257 39.000 -0.012 0.000 1.215 171 F HN 0.274 nan 8.300 nan 0.000 0.471 172 D N 2.196 122.756 120.400 0.268 0.000 2.380 172 D HA 0.229 4.874 4.640 0.009 0.000 0.230 172 D C 0.494 176.936 176.300 0.236 0.000 1.154 172 D CA 0.159 54.284 54.000 0.209 0.000 0.859 172 D CB 0.809 41.711 40.800 0.171 0.000 1.045 172 D HN 0.510 nan 8.370 nan 0.000 0.495 173 L N 2.552 123.911 121.223 0.227 0.000 2.509 173 L HA -0.061 4.285 4.340 0.009 0.000 0.222 173 L C 2.124 179.202 176.870 0.346 0.000 1.123 173 L CA -0.015 54.978 54.840 0.255 0.000 0.856 173 L CB -0.208 41.987 42.059 0.226 0.000 0.985 173 L HN 0.337 nan 8.230 nan 0.000 0.456 174 S N 1.418 117.282 115.700 0.273 0.000 2.451 174 S HA -0.352 4.123 4.470 0.009 0.000 0.272 174 S C 1.712 176.444 174.600 0.221 0.000 1.136 174 S CA 2.156 60.492 58.200 0.227 0.000 1.209 174 S CB -0.388 62.908 63.200 0.160 0.000 1.130 174 S HN 0.584 nan 8.310 nan 0.000 0.440 175 A N -1.054 121.904 122.820 0.229 0.000 2.411 175 A HA 0.528 4.854 4.320 0.009 0.000 0.251 175 A C 0.817 178.393 177.584 -0.014 0.000 1.317 175 A CA -0.100 51.971 52.037 0.058 0.000 0.904 175 A CB -0.365 18.565 19.000 -0.117 0.000 0.993 175 A HN 0.455 nan 8.150 nan 0.000 0.504 176 F N -1.098 118.901 119.950 0.083 0.000 2.834 176 F HA 0.310 4.843 4.527 0.009 0.000 0.332 176 F C 0.401 176.243 175.800 0.070 0.000 1.056 176 F CA -0.411 57.635 58.000 0.076 0.000 1.178 176 F CB 0.191 39.241 39.000 0.084 0.000 1.037 176 F HN 0.030 nan 8.300 nan 0.000 0.580 177 L N 0.894 122.290 121.223 0.287 0.000 2.375 177 L HA 0.608 4.954 4.340 0.009 0.000 0.271 177 L C -0.038 176.889 176.870 0.095 0.000 1.107 177 L CA -0.794 54.146 54.840 0.167 0.000 0.806 177 L CB 0.652 42.816 42.059 0.176 0.000 1.146 177 L HN -0.061 nan 8.230 nan 0.000 0.447 178 R N 1.242 121.760 120.500 0.029 0.000 2.810 178 R HA 0.826 5.172 4.340 0.009 0.000 0.245 178 R C -0.533 175.753 176.300 -0.023 0.000 1.168 178 R CA -0.853 55.249 56.100 0.004 0.000 1.096 178 R CB 0.718 31.009 30.300 -0.014 0.000 1.259 178 R HN 0.730 nan 8.270 nan 0.000 0.518 179 A N 0.405 123.210 122.820 -0.025 0.000 2.354 179 A HA 0.565 4.890 4.320 0.009 0.000 0.269 179 A C 0.902 178.440 177.584 -0.077 0.000 1.109 179 A CA 0.456 52.469 52.037 -0.038 0.000 0.800 179 A CB -0.290 18.698 19.000 -0.020 0.000 1.045 179 A HN 0.870 nan 8.150 nan 0.000 0.489 180 G N 1.130 109.871 108.800 -0.099 0.000 2.543 180 G HA2 -0.262 3.704 3.960 0.009 0.000 0.286 180 G HA3 -0.262 3.704 3.960 0.009 0.000 0.286 180 G C 0.229 175.009 174.900 -0.200 0.000 1.153 180 G CA 0.567 45.591 45.100 -0.127 0.000 0.968 180 G HN 1.118 nan 8.290 nan 0.000 0.544 181 E N 1.997 122.085 120.200 -0.187 0.000 2.328 181 E HA 0.387 4.743 4.350 0.009 0.000 0.265 181 E C 0.072 176.487 176.600 -0.308 0.000 1.057 181 E CA 0.053 56.308 56.400 -0.243 0.000 0.916 181 E CB 0.081 29.684 29.700 -0.162 0.000 0.993 181 E HN 0.414 nan 8.360 nan 0.000 0.446 182 N N 3.443 121.814 118.700 -0.549 0.000 2.265 182 N HA 0.399 5.145 4.740 0.009 0.000 0.300 182 N C -1.080 174.144 175.510 -0.476 0.000 1.148 182 N CA -0.681 52.010 53.050 -0.597 0.000 0.772 182 N CB 1.911 39.850 38.487 -0.913 0.000 1.434 182 N HN 0.333 nan 8.380 nan 0.000 0.481 183 R N 1.581 121.989 120.500 -0.152 0.000 2.561 183 R HA 0.504 4.849 4.340 0.009 0.000 0.297 183 R C -1.165 175.205 176.300 0.116 0.000 0.969 183 R CA -0.552 55.547 56.100 -0.001 0.000 0.879 183 R CB 1.372 31.632 30.300 -0.067 0.000 1.178 183 R HN 0.476 nan 8.270 nan 0.000 0.445 184 L N 2.650 123.958 121.223 0.142 0.000 2.317 184 L HA 0.638 4.983 4.340 0.009 0.000 0.281 184 L C -0.323 176.591 176.870 0.074 0.000 1.024 184 L CA -0.702 54.218 54.840 0.133 0.000 0.810 184 L CB 1.938 44.083 42.059 0.142 0.000 1.240 184 L HN 0.694 nan 8.230 nan 0.000 0.427 185 A N 3.951 126.826 122.820 0.093 0.000 2.410 185 A HA 0.669 4.995 4.320 0.009 0.000 0.289 185 A C -0.921 176.884 177.584 0.369 0.000 1.200 185 A CA -0.437 51.584 52.037 -0.027 0.000 0.751 185 A CB 1.065 19.734 19.000 -0.551 0.000 1.161 185 A HN 0.372 nan 8.150 nan 0.000 0.459 186 V N 3.239 123.514 119.914 0.603 0.000 2.334 186 V HA 0.427 4.553 4.120 0.009 0.000 0.281 186 V C 0.206 176.750 176.094 0.750 0.000 1.016 186 V CA -0.289 62.376 62.300 0.608 0.000 0.832 186 V CB 0.859 32.905 31.823 0.372 0.000 0.999 186 V HN 0.982 nan 8.190 nan 0.000 0.439 187 M N 5.645 125.704 119.600 0.766 0.000 3.117 187 M HA 0.506 4.992 4.480 0.009 0.000 0.292 187 M C -0.915 175.660 176.300 0.459 0.000 1.357 187 M CA 0.059 55.708 55.300 0.581 0.000 1.463 187 M CB 0.655 33.498 32.600 0.405 0.000 1.105 187 M HN 0.290 nan 8.290 nan 0.000 0.553 188 V N 4.496 124.665 119.914 0.424 0.000 2.446 188 V HA 0.142 4.267 4.120 0.009 0.000 0.276 188 V C 0.278 176.557 176.094 0.309 0.000 1.030 188 V CA -0.134 62.408 62.300 0.404 0.000 1.033 188 V CB -0.022 32.091 31.823 0.484 0.000 0.993 188 V HN 0.753 nan 8.190 nan 0.000 0.477 189 L N 5.350 126.696 121.223 0.204 0.000 2.357 189 L HA 0.448 4.794 4.340 0.009 0.000 0.273 189 L C 1.597 178.521 176.870 0.089 0.000 1.080 189 L CA 0.117 54.996 54.840 0.066 0.000 0.803 189 L CB 1.039 43.051 42.059 -0.079 0.000 1.174 189 L HN 0.655 nan 8.230 nan 0.000 0.443 190 R N 2.304 122.795 120.500 -0.015 0.000 2.062 190 R HA -0.021 4.325 4.340 0.009 0.000 0.229 190 R C -0.461 175.650 176.300 -0.316 0.000 1.128 190 R CA 0.793 56.721 56.100 -0.287 0.000 0.960 190 R CB 0.090 30.108 30.300 -0.469 0.000 0.855 190 R HN 0.566 nan 8.270 nan 0.000 0.432 191 W N 1.041 122.447 121.300 0.176 0.000 2.627 191 W HA 0.439 5.104 4.660 0.009 0.000 0.339 191 W C -0.269 176.429 176.519 0.298 0.000 1.058 191 W CA -0.996 56.471 57.345 0.203 0.000 1.223 191 W CB 1.725 31.306 29.460 0.202 0.000 1.389 191 W HN 0.084 nan 8.180 nan 0.000 0.541 192 S N -1.037 115.014 115.700 0.585 0.000 2.794 192 S HA 0.271 4.747 4.470 0.009 0.000 0.299 192 S C 0.196 175.108 174.600 0.519 0.000 1.179 192 S CA -0.397 58.145 58.200 0.571 0.000 0.838 192 S CB 1.166 64.669 63.200 0.505 0.000 1.206 192 S HN 0.604 nan 8.310 nan 0.000 0.523 193 D N 0.133 120.792 120.400 0.431 0.000 2.310 193 D HA 0.094 4.740 4.640 0.009 0.000 0.212 193 D C 1.630 178.236 176.300 0.510 0.000 0.965 193 D CA 1.016 55.260 54.000 0.406 0.000 0.879 193 D CB -0.679 40.200 40.800 0.132 0.000 0.921 193 D HN 0.681 nan 8.370 nan 0.000 0.510 194 G N -0.342 108.699 108.800 0.400 0.000 2.679 194 G HA2 -0.147 3.819 3.960 0.009 0.000 0.212 194 G HA3 -0.147 3.819 3.960 0.009 0.000 0.212 194 G C 1.590 176.699 174.900 0.348 0.000 1.137 194 G CA 0.294 45.601 45.100 0.345 0.000 0.787 194 G HN 0.269 nan 8.290 nan 0.000 0.534 195 S N -0.296 115.636 115.700 0.387 0.000 2.414 195 S HA -0.003 4.472 4.470 0.009 0.000 0.227 195 S C 1.834 176.603 174.600 0.281 0.000 1.022 195 S CA 0.232 58.627 58.200 0.324 0.000 0.958 195 S CB -0.288 63.121 63.200 0.347 0.000 0.797 195 S HN 0.499 nan 8.310 nan 0.000 0.493 196 Y N 1.449 121.839 120.300 0.149 0.000 2.465 196 Y HA 0.030 4.585 4.550 0.009 0.000 0.289 196 Y C 1.499 177.467 175.900 0.113 0.000 1.150 196 Y CA 0.721 58.826 58.100 0.008 0.000 1.293 196 Y CB -0.291 38.032 38.460 -0.229 0.000 0.977 196 Y HN 0.223 nan 8.280 nan 0.000 0.556 197 L N -0.475 120.925 121.223 0.294 0.000 2.728 197 L HA 0.180 4.525 4.340 0.009 0.000 0.238 197 L C -0.124 176.871 176.870 0.208 0.000 1.143 197 L CA 0.252 55.220 54.840 0.213 0.000 0.937 197 L CB 0.124 42.306 42.059 0.204 0.000 1.225 197 L HN 0.110 nan 8.230 nan 0.000 0.507 198 E N 0.049 120.389 120.200 0.234 0.000 3.896 198 E HA 0.085 4.441 4.350 0.009 0.000 0.217 198 E C -0.697 176.004 176.600 0.167 0.000 1.150 198 E CA -0.097 56.426 56.400 0.204 0.000 1.338 198 E CB 0.573 30.392 29.700 0.197 0.000 1.242 198 E HN -0.012 nan 8.360 nan 0.000 0.435 199 D N 1.520 121.974 120.400 0.089 0.000 3.072 199 D HA 0.045 4.690 4.640 0.009 0.000 0.250 199 D C -0.335 175.944 176.300 -0.035 0.000 1.304 199 D CA -0.224 53.717 54.000 -0.099 0.000 0.861 199 D CB 0.136 40.618 40.800 -0.530 0.000 1.062 199 D HN 0.059 nan 8.370 nan 0.000 0.481 200 Q N 0.441 120.312 119.800 0.117 0.000 2.373 200 Q HA 0.139 4.484 4.340 0.009 0.000 0.255 200 Q C -0.084 176.030 176.000 0.191 0.000 0.980 200 Q CA -0.095 55.837 55.803 0.216 0.000 0.882 200 Q CB 0.635 29.661 28.738 0.481 0.000 1.249 200 Q HN 0.083 nan 8.270 nan 0.000 0.438 201 D N 2.917 123.451 120.400 0.223 0.000 2.482 201 D HA 0.135 4.780 4.640 0.009 0.000 0.244 201 D C -0.841 175.600 176.300 0.234 0.000 1.242 201 D CA 0.268 54.392 54.000 0.207 0.000 1.097 201 D CB -0.545 40.380 40.800 0.209 0.000 1.109 201 D HN 0.487 nan 8.370 nan 0.000 0.510 202 M N 0.262 119.967 119.600 0.176 0.000 3.012 202 M HA 0.363 4.848 4.480 0.009 0.000 0.272 202 M C -1.315 175.061 176.300 0.128 0.000 1.187 202 M CA -1.204 54.095 55.300 -0.000 0.000 0.813 202 M CB 0.967 33.503 32.600 -0.106 0.000 1.626 202 M HN -0.101 nan 8.290 nan 0.000 0.507 203 W N 1.871 123.235 121.300 0.106 0.000 2.223 203 W HA 0.300 4.965 4.660 0.010 0.000 0.334 203 W C 0.213 176.762 176.519 0.049 0.000 1.334 203 W CA -0.068 57.349 57.345 0.120 0.000 1.246 203 W CB 0.395 29.857 29.460 0.003 0.000 1.184 203 W HN 0.309 nan 8.180 nan 0.000 0.563 204 R N 4.981 125.682 120.500 0.335 0.000 2.287 204 R HA 0.338 4.683 4.340 0.009 0.000 0.327 204 R C -0.245 176.083 176.300 0.047 0.000 1.109 204 R CA -0.197 56.017 56.100 0.191 0.000 1.013 204 R CB -0.415 30.051 30.300 0.276 0.000 1.126 204 R HN 0.527 nan 8.270 nan 0.000 0.503 205 M N -0.066 119.464 119.600 -0.117 0.000 2.826 205 M HA 0.582 5.067 4.480 0.009 0.000 0.288 205 M C 0.103 176.113 176.300 -0.482 0.000 1.141 205 M CA -0.860 54.252 55.300 -0.313 0.000 0.816 205 M CB 1.786 34.179 32.600 -0.344 0.000 1.704 205 M HN 0.401 nan 8.290 nan 0.000 0.497 206 S N -1.293 113.971 115.700 -0.726 0.000 2.651 206 S HA 1.008 5.483 4.470 0.009 0.000 0.279 206 S C -0.437 173.757 174.600 -0.678 0.000 1.148 206 S CA -0.346 57.366 58.200 -0.813 0.000 0.837 206 S CB 1.856 64.340 63.200 -1.194 0.000 1.138 206 S HN 1.364 nan 8.310 nan 0.000 0.478 207 G N -0.266 108.353 108.800 -0.303 0.000 2.371 207 G HA2 0.126 4.091 3.960 0.009 0.000 0.663 207 G HA3 0.126 4.091 3.960 0.009 0.000 0.663 207 G C -1.232 173.691 174.900 0.038 0.000 1.311 207 G CA -0.892 44.240 45.100 0.054 0.000 0.985 207 G HN 0.895 nan 8.290 nan 0.000 0.566 208 I N 2.151 122.561 120.570 -0.266 0.000 2.268 208 I HA 0.184 4.359 4.170 0.009 0.000 0.298 208 I C 1.469 177.435 176.117 -0.252 0.000 1.185 208 I CA -0.043 61.020 61.300 -0.395 0.000 1.548 208 I CB -0.443 37.066 38.000 -0.819 0.000 1.492 208 I HN 0.470 nan 8.210 nan 0.000 0.711 209 F N 3.611 123.420 119.950 -0.235 0.000 2.797 209 F HA 0.351 4.883 4.527 0.009 0.000 0.302 209 F C 0.784 176.502 175.800 -0.135 0.000 1.130 209 F CA -0.471 57.416 58.000 -0.188 0.000 1.387 209 F CB -0.107 38.793 39.000 -0.166 0.000 1.107 209 F HN 0.116 nan 8.300 nan 0.000 0.577 210 R N 0.587 120.668 120.500 -0.700 0.000 2.905 210 R HA 0.255 4.600 4.340 0.009 0.000 0.260 210 R C -0.869 175.213 176.300 -0.364 0.000 1.086 210 R CA -1.097 54.717 56.100 -0.477 0.000 0.978 210 R CB 0.723 30.680 30.300 -0.572 0.000 1.215 210 R HN 0.056 nan 8.270 nan 0.000 0.480 211 D N 0.324 120.565 120.400 -0.267 0.000 2.429 211 D HA 0.140 4.785 4.640 0.009 0.000 0.233 211 D C -0.425 175.689 176.300 -0.309 0.000 1.202 211 D CA 0.411 54.268 54.000 -0.239 0.000 0.879 211 D CB 0.397 41.094 40.800 -0.171 0.000 1.212 211 D HN 0.015 nan 8.370 nan 0.000 0.465 212 V N 0.415 120.145 119.914 -0.306 0.000 2.638 212 V HA 0.669 4.795 4.120 0.009 0.000 0.306 212 V C -0.262 175.677 176.094 -0.259 0.000 1.052 212 V CA -0.591 61.462 62.300 -0.412 0.000 0.885 212 V CB 1.918 33.468 31.823 -0.455 0.000 0.999 212 V HN 0.647 nan 8.190 nan 0.000 0.424 213 S N 3.721 119.256 115.700 -0.274 0.000 2.625 213 S HA 0.731 5.206 4.470 0.009 0.000 0.271 213 S C -1.412 173.132 174.600 -0.094 0.000 1.161 213 S CA -0.730 57.388 58.200 -0.137 0.000 0.820 213 S CB 1.915 65.071 63.200 -0.072 0.000 1.137 213 S HN 0.534 nan 8.310 nan 0.000 0.470 214 L N 2.134 123.369 121.223 0.021 0.000 2.356 214 L HA 0.662 5.007 4.340 0.009 0.000 0.277 214 L C -1.494 175.513 176.870 0.228 0.000 0.996 214 L CA -0.700 54.233 54.840 0.155 0.000 0.822 214 L CB 1.600 43.820 42.059 0.269 0.000 1.256 214 L HN 0.543 nan 8.230 nan 0.000 0.413 215 L N 3.239 124.557 121.223 0.158 0.000 2.385 215 L HA 0.484 4.830 4.340 0.009 0.000 0.273 215 L C -0.985 175.839 176.870 -0.076 0.000 0.990 215 L CA -0.289 54.582 54.840 0.052 0.000 0.821 215 L CB 1.785 43.873 42.059 0.048 0.000 1.279 215 L HN 0.521 nan 8.230 nan 0.000 0.412 216 H N 4.187 122.976 119.070 -0.470 0.000 2.551 216 H HA 0.547 5.109 4.556 0.009 0.000 0.321 216 H C -1.209 173.867 175.328 -0.421 0.000 1.028 216 H CA -0.390 55.268 56.048 -0.649 0.000 1.215 216 H CB 0.838 29.622 29.762 -1.629 0.000 1.414 216 H HN 0.568 nan 8.280 nan 0.000 0.480 217 K N 5.803 125.781 120.400 -0.704 0.000 2.221 217 K HA 0.356 4.681 4.320 0.009 0.000 0.243 217 K C -2.668 173.542 176.600 -0.650 0.000 0.968 217 K CA -2.140 53.824 56.287 -0.538 0.000 0.846 217 K CB 1.524 33.827 32.500 -0.329 0.000 1.141 217 K HN 0.498 nan 8.250 nan 0.000 0.434 218 P HA -0.002 nan 4.420 nan 0.000 0.272 218 P C 0.554 177.732 177.300 -0.204 0.000 1.240 218 P CA -0.101 62.840 63.100 -0.266 0.000 0.791 218 P CB 0.260 31.873 31.700 -0.145 0.000 0.978 219 T N -2.849 111.628 114.554 -0.128 0.000 2.821 219 T HA -0.047 4.309 4.350 0.009 0.000 0.267 219 T C 0.752 175.398 174.700 -0.090 0.000 1.046 219 T CA 1.282 63.327 62.100 -0.092 0.000 1.139 219 T CB -1.073 67.766 68.868 -0.050 0.000 0.871 219 T HN 0.327 nan 8.240 nan 0.000 0.454 220 T N 3.370 117.878 114.554 -0.077 0.000 2.762 220 T HA 0.443 4.799 4.350 0.009 0.000 0.303 220 T C -0.256 174.388 174.700 -0.094 0.000 0.977 220 T CA -0.733 61.318 62.100 -0.082 0.000 0.961 220 T CB 0.586 69.424 68.868 -0.051 0.000 0.944 220 T HN 0.637 nan 8.240 nan 0.000 0.481 221 Q N 2.838 122.562 119.800 -0.127 0.000 2.605 221 Q HA 0.656 5.002 4.340 0.009 0.000 0.296 221 Q C -1.091 174.815 176.000 -0.155 0.000 1.056 221 Q CA -1.180 54.532 55.803 -0.152 0.000 0.778 221 Q CB 1.482 30.099 28.738 -0.203 0.000 1.497 221 Q HN 0.417 nan 8.270 nan 0.000 0.443 222 I N 2.065 122.513 120.570 -0.204 0.000 2.395 222 I HA 0.091 4.267 4.170 0.009 0.000 0.289 222 I C 0.718 176.653 176.117 -0.303 0.000 1.023 222 I CA -0.056 61.130 61.300 -0.189 0.000 1.350 222 I CB 1.562 39.422 38.000 -0.232 0.000 1.409 222 I HN 0.947 nan 8.210 nan 0.000 0.507 223 S N 2.870 118.500 115.700 -0.117 0.000 2.520 223 S HA 0.214 4.690 4.470 0.009 0.000 0.219 223 S C 0.028 174.764 174.600 0.226 0.000 1.028 223 S CA -0.176 58.001 58.200 -0.038 0.000 0.921 223 S CB 0.413 63.590 63.200 -0.038 0.000 0.844 223 S HN 0.719 nan 8.310 nan 0.000 0.495 224 D N -0.403 120.171 120.400 0.290 0.000 2.683 224 D HA 0.517 5.163 4.640 0.009 0.000 0.246 224 D C -1.707 174.812 176.300 0.364 0.000 1.238 224 D CA -0.566 53.662 54.000 0.381 0.000 0.759 224 D CB 1.612 42.536 40.800 0.208 0.000 1.349 224 D HN 0.280 nan 8.370 nan 0.000 0.426 225 F N -0.498 119.526 119.950 0.124 0.000 2.665 225 F HA 0.681 5.214 4.527 0.010 0.000 0.308 225 F C -1.686 174.196 175.800 0.136 0.000 1.112 225 F CA -0.729 57.261 58.000 -0.017 0.000 0.972 225 F CB 1.336 40.365 39.000 0.048 0.000 1.295 225 F HN 0.321 nan 8.300 nan 0.000 0.440 226 H N 1.262 120.370 119.070 0.064 0.000 2.806 226 H HA 0.749 5.311 4.556 0.009 0.000 0.367 226 H C -1.477 173.867 175.328 0.027 0.000 1.136 226 H CA -1.538 54.467 56.048 -0.071 0.000 1.178 226 H CB 2.654 32.382 29.762 -0.056 0.000 1.718 226 H HN 0.624 nan 8.280 nan 0.000 0.540 227 V N 1.607 121.587 119.914 0.110 0.000 2.513 227 V HA 0.756 4.881 4.120 0.009 0.000 0.299 227 V C -0.310 175.757 176.094 -0.045 0.000 1.035 227 V CA -0.533 61.786 62.300 0.031 0.000 0.889 227 V CB 1.413 33.236 31.823 -0.001 0.000 0.988 227 V HN 0.946 nan 8.190 nan 0.000 0.440 228 A N 2.848 125.617 122.820 -0.085 0.000 2.486 228 A HA 0.911 5.237 4.320 0.009 0.000 0.300 228 A C -0.343 177.115 177.584 -0.210 0.000 1.048 228 A CA -0.456 51.509 52.037 -0.119 0.000 0.696 228 A CB 2.138 21.100 19.000 -0.064 0.000 1.278 228 A HN 0.955 nan 8.150 nan 0.000 0.405 229 T N 0.039 114.443 114.554 -0.251 0.000 2.890 229 T HA 0.675 5.031 4.350 0.009 0.000 0.295 229 T C -0.538 173.888 174.700 -0.456 0.000 0.993 229 T CA -0.814 61.049 62.100 -0.395 0.000 0.979 229 T CB 0.778 69.300 68.868 -0.577 0.000 0.967 229 T HN 0.807 nan 8.240 nan 0.000 0.441 230 R N 2.581 122.791 120.500 -0.483 0.000 2.604 230 R HA 0.774 5.120 4.340 0.009 0.000 0.287 230 R C -1.261 174.605 176.300 -0.724 0.000 0.970 230 R CA -0.875 54.967 56.100 -0.430 0.000 0.946 230 R CB 1.271 31.459 30.300 -0.186 0.000 1.127 230 R HN 0.493 nan 8.270 nan 0.000 0.473 231 F N 0.799 120.740 119.950 -0.015 0.000 2.561 231 F HA 0.275 4.807 4.527 0.008 0.000 0.321 231 F C 0.774 176.442 175.800 -0.220 0.000 1.065 231 F CA -1.065 56.862 58.000 -0.122 0.000 0.934 231 F CB 1.336 40.151 39.000 -0.308 0.000 1.215 231 F HN 0.621 nan 8.300 nan 0.000 0.471 232 N N 0.363 119.044 118.700 -0.032 0.000 2.290 232 N HA -0.033 4.712 4.740 0.009 0.000 0.269 232 N C 0.554 175.926 175.510 -0.230 0.000 1.295 232 N CA 0.114 53.105 53.050 -0.097 0.000 0.932 232 N CB -0.003 38.450 38.487 -0.055 0.000 1.128 232 N HN 0.708 nan 8.380 nan 0.000 0.532 233 D N -1.981 118.330 120.400 -0.149 0.000 2.269 233 D HA -0.180 4.466 4.640 0.009 0.000 0.208 233 D C 0.416 176.626 176.300 -0.150 0.000 0.963 233 D CA 1.129 55.038 54.000 -0.151 0.000 0.864 233 D CB -0.444 40.322 40.800 -0.056 0.000 0.936 233 D HN 0.761 nan 8.370 nan 0.000 0.505 234 D N -1.156 119.182 120.400 -0.104 0.000 2.501 234 D HA -0.027 4.618 4.640 0.009 0.000 0.224 234 D C 0.073 176.493 176.300 0.200 0.000 1.202 234 D CA -0.730 53.313 54.000 0.072 0.000 0.829 234 D CB -0.631 40.214 40.800 0.076 0.000 1.023 234 D HN 0.083 nan 8.370 nan 0.000 0.499 235 F N 0.917 120.899 119.950 0.053 0.000 2.973 235 F HA -0.310 4.222 4.527 0.009 0.000 0.299 235 F C 1.837 177.677 175.800 0.068 0.000 0.737 235 F CA 0.960 58.983 58.000 0.038 0.000 1.151 235 F CB -2.372 36.554 39.000 -0.122 0.000 1.440 235 F HN 0.142 nan 8.300 nan 0.000 0.367 236 S N -0.233 115.552 115.700 0.141 0.000 2.522 236 S HA 0.080 4.556 4.470 0.009 0.000 0.227 236 S C 0.651 175.296 174.600 0.075 0.000 0.986 236 S CA 0.500 58.760 58.200 0.100 0.000 0.929 236 S CB 0.055 63.291 63.200 0.061 0.000 0.769 236 S HN 0.539 nan 8.310 nan 0.000 0.529 237 R N 0.085 120.638 120.500 0.089 0.000 2.604 237 R HA 0.818 5.164 4.340 0.009 0.000 0.270 237 R C -1.499 174.841 176.300 0.066 0.000 1.052 237 R CA -0.770 55.358 56.100 0.046 0.000 0.902 237 R CB 1.464 31.764 30.300 0.001 0.000 1.233 237 R HN 0.112 nan 8.270 nan 0.000 0.455 238 A N 1.590 124.396 122.820 -0.024 0.000 2.515 238 A HA 0.724 5.049 4.320 0.009 0.000 0.296 238 A C -1.069 176.468 177.584 -0.078 0.000 1.094 238 A CA -0.795 51.169 52.037 -0.122 0.000 0.718 238 A CB 2.238 21.165 19.000 -0.120 0.000 1.307 238 A HN 0.352 nan 8.150 nan 0.000 0.408 239 V N 1.240 121.087 119.914 -0.111 0.000 2.483 239 V HA 0.507 4.632 4.120 0.009 0.000 0.295 239 V C -0.719 175.353 176.094 -0.038 0.000 1.035 239 V CA -0.530 61.734 62.300 -0.060 0.000 0.896 239 V CB 1.372 33.145 31.823 -0.084 0.000 0.986 239 V HN 0.789 nan 8.190 nan 0.000 0.447 240 L N 4.338 125.563 121.223 0.004 0.000 2.287 240 L HA 0.596 4.942 4.340 0.009 0.000 0.287 240 L C -0.252 176.583 176.870 -0.058 0.000 1.022 240 L CA 0.132 54.941 54.840 -0.052 0.000 0.814 240 L CB 1.202 43.262 42.059 0.002 0.000 1.217 240 L HN 0.787 nan 8.230 nan 0.000 0.420 241 E N 3.626 123.779 120.200 -0.078 0.000 2.158 241 E HA 0.760 5.116 4.350 0.009 0.000 0.271 241 E C -1.410 175.179 176.600 -0.019 0.000 0.911 241 E CA -0.762 55.611 56.400 -0.046 0.000 0.767 241 E CB 1.541 31.213 29.700 -0.046 0.000 1.120 241 E HN 0.822 nan 8.360 nan 0.000 0.405 242 A N 4.285 127.102 122.820 -0.005 0.000 2.343 242 A HA 0.386 4.712 4.320 0.009 0.000 0.316 242 A C -0.865 176.720 177.584 0.001 0.000 1.104 242 A CA -0.629 51.424 52.037 0.028 0.000 0.768 242 A CB 1.300 20.326 19.000 0.045 0.000 1.213 242 A HN 0.686 nan 8.150 nan 0.000 0.456 243 E N 2.373 122.565 120.200 -0.014 0.000 2.145 243 E HA 0.570 4.925 4.350 0.009 0.000 0.270 243 E C -1.550 174.986 176.600 -0.106 0.000 0.906 243 E CA -0.400 55.946 56.400 -0.089 0.000 0.761 243 E CB 1.413 31.024 29.700 -0.148 0.000 1.116 243 E HN 0.412 nan 8.360 nan 0.000 0.408 244 V N 4.835 124.727 119.914 -0.037 0.000 2.604 244 V HA 0.313 4.439 4.120 0.009 0.000 0.305 244 V C -0.502 175.660 176.094 0.114 0.000 1.043 244 V CA -0.839 61.484 62.300 0.039 0.000 0.888 244 V CB 1.705 33.545 31.823 0.028 0.000 0.995 244 V HN 0.678 nan 8.190 nan 0.000 0.429 245 Q N 4.592 124.454 119.800 0.103 0.000 2.353 245 Q HA 0.817 5.162 4.340 0.009 0.000 0.268 245 Q C -0.746 175.293 176.000 0.065 0.000 1.045 245 Q CA -0.858 54.998 55.803 0.089 0.000 0.811 245 Q CB 2.798 31.532 28.738 -0.008 0.000 1.305 245 Q HN 0.841 nan 8.270 nan 0.000 0.447 246 M N -0.233 119.323 119.600 -0.072 0.000 2.811 246 M HA 0.808 5.294 4.480 0.009 0.000 0.303 246 M C -1.272 174.901 176.300 -0.211 0.000 1.227 246 M CA -0.512 54.666 55.300 -0.203 0.000 0.874 246 M CB 2.368 34.646 32.600 -0.537 0.000 1.681 246 M HN 0.620 nan 8.290 nan 0.000 0.500 247 C N 1.301 120.482 119.300 -0.198 0.000 2.516 247 C HA 0.961 5.426 4.460 0.009 0.000 0.338 247 C C -0.134 174.764 174.990 -0.153 0.000 1.132 247 C CA 0.802 59.729 59.018 -0.151 0.000 1.310 247 C CB 0.604 28.282 27.740 -0.104 0.000 1.898 247 C HN 1.367 nan 8.230 nan 0.000 0.452 248 G N 4.141 112.856 108.800 -0.142 0.000 2.347 248 G HA2 0.171 4.136 3.960 0.009 0.000 0.477 248 G HA3 0.171 4.136 3.960 0.009 0.000 0.477 248 G C -1.556 173.262 174.900 -0.138 0.000 1.349 248 G CA -0.870 44.156 45.100 -0.123 0.000 1.000 248 G HN 0.715 nan 8.290 nan 0.000 0.605 249 E N -0.089 120.047 120.200 -0.107 0.000 2.257 249 E HA 0.413 4.769 4.350 0.009 0.000 0.278 249 E C 0.699 177.204 176.600 -0.159 0.000 1.049 249 E CA -0.256 56.078 56.400 -0.111 0.000 0.876 249 E CB 0.975 30.632 29.700 -0.072 0.000 1.035 249 E HN 0.464 nan 8.360 nan 0.000 0.419 250 L N 4.928 126.038 121.223 -0.188 0.000 2.490 250 L HA 0.161 4.507 4.340 0.009 0.000 0.274 250 L C 0.067 176.801 176.870 -0.227 0.000 1.201 250 L CA 0.625 55.328 54.840 -0.228 0.000 0.869 250 L CB 0.108 42.051 42.059 -0.193 0.000 1.123 250 L HN 0.506 nan 8.230 nan 0.000 0.484 251 R N 1.995 122.296 120.500 -0.332 0.000 2.626 251 R HA 0.178 4.523 4.340 0.009 0.000 0.274 251 R C -0.300 175.743 176.300 -0.429 0.000 1.031 251 R CA -0.843 54.990 56.100 -0.444 0.000 0.898 251 R CB 1.250 31.116 30.300 -0.723 0.000 1.222 251 R HN 0.603 nan 8.270 nan 0.000 0.455 252 D N 1.510 121.770 120.400 -0.233 0.000 2.417 252 D HA -0.206 4.439 4.640 0.009 0.000 0.225 252 D C 1.007 177.281 176.300 -0.044 0.000 0.983 252 D CA 1.230 55.173 54.000 -0.095 0.000 0.949 252 D CB -0.255 40.533 40.800 -0.020 0.000 0.879 252 D HN 0.700 nan 8.370 nan 0.000 0.520 253 Y N -1.101 119.199 120.300 0.000 0.000 2.444 253 Y HA 0.379 4.935 4.550 0.010 0.000 0.249 253 Y C 0.682 176.556 175.900 -0.043 0.000 1.134 253 Y CA -1.144 56.945 58.100 -0.019 0.000 1.261 253 Y CB -0.362 38.090 38.460 -0.014 0.000 1.143 253 Y HN -0.200 nan 8.280 nan 0.000 0.523 254 L N 3.082 124.235 121.223 -0.116 0.000 2.416 254 L HA 0.343 4.688 4.340 0.009 0.000 0.272 254 L C 0.200 177.028 176.870 -0.070 0.000 1.161 254 L CA 0.339 55.168 54.840 -0.018 0.000 0.845 254 L CB 0.765 42.831 42.059 0.011 0.000 1.119 254 L HN 0.275 nan 8.230 nan 0.000 0.464 255 R N 1.736 122.093 120.500 -0.238 0.000 2.855 255 R HA 0.803 5.149 4.340 0.009 0.000 0.266 255 R C -1.611 174.449 176.300 -0.399 0.000 1.034 255 R CA -0.868 54.971 56.100 -0.435 0.000 0.944 255 R CB 2.620 32.578 30.300 -0.570 0.000 1.219 255 R HN 0.282 nan 8.270 nan 0.000 0.474 256 V N 0.882 120.625 119.914 -0.284 0.000 2.612 256 V HA 0.369 4.495 4.120 0.009 0.000 0.301 256 V C -0.921 175.190 176.094 0.029 0.000 1.059 256 V CA -0.646 61.579 62.300 -0.124 0.000 0.886 256 V CB 2.228 33.849 31.823 -0.337 0.000 1.007 256 V HN 0.774 nan 8.190 nan 0.000 0.426 257 T N 4.044 118.685 114.554 0.145 0.000 2.829 257 T HA 0.727 5.082 4.350 0.009 0.000 0.280 257 T C -0.855 173.837 174.700 -0.014 0.000 0.999 257 T CA -0.502 61.633 62.100 0.058 0.000 0.983 257 T CB 1.971 70.847 68.868 0.012 0.000 0.968 257 T HN 0.351 nan 8.240 nan 0.000 0.446 258 V N 3.238 123.138 119.914 -0.025 0.000 2.569 258 V HA 0.557 4.683 4.120 0.009 0.000 0.301 258 V C -0.656 175.431 176.094 -0.012 0.000 1.044 258 V CA -0.737 61.548 62.300 -0.025 0.000 0.874 258 V CB 2.110 33.912 31.823 -0.036 0.000 1.002 258 V HN 1.059 nan 8.190 nan 0.000 0.424 259 S N 6.127 121.844 115.700 0.028 0.000 2.513 259 S HA 0.808 5.284 4.470 0.009 0.000 0.299 259 S C -1.065 173.586 174.600 0.085 0.000 1.087 259 S CA -0.731 57.482 58.200 0.022 0.000 1.012 259 S CB 2.363 65.674 63.200 0.185 0.000 1.044 259 S HN 0.441 nan 8.310 nan 0.000 0.485 260 L N 2.506 123.674 121.223 -0.093 0.000 2.349 260 L HA 0.678 5.023 4.340 0.009 0.000 0.278 260 L C -1.996 174.765 176.870 -0.180 0.000 0.996 260 L CA -0.918 53.940 54.840 0.030 0.000 0.825 260 L CB 0.697 42.786 42.059 0.049 0.000 1.243 260 L HN 0.891 nan 8.230 nan 0.000 0.412 261 W N 3.518 124.920 121.300 0.171 0.000 2.736 261 W HA 0.575 5.241 4.660 0.009 0.000 0.335 261 W C -0.256 176.323 176.519 0.100 0.000 1.059 261 W CA -0.465 56.948 57.345 0.114 0.000 1.226 261 W CB 1.530 31.014 29.460 0.040 0.000 1.416 261 W HN 0.465 nan 8.180 nan 0.000 0.505 262 Q N 2.909 122.845 119.800 0.227 0.000 2.571 262 Q HA 0.497 4.843 4.340 0.009 0.000 0.243 262 Q C 0.664 176.697 176.000 0.056 0.000 1.055 262 Q CA 0.644 56.419 55.803 -0.046 0.000 0.815 262 Q CB 0.299 28.924 28.738 -0.188 0.000 1.151 262 Q HN 0.765 nan 8.270 nan 0.000 0.519 263 G N 2.501 111.353 108.800 0.087 0.000 2.588 263 G HA2 -0.294 3.672 3.960 0.009 0.000 0.273 263 G HA3 -0.294 3.672 3.960 0.009 0.000 0.273 263 G C 0.468 175.464 174.900 0.159 0.000 1.211 263 G CA 0.218 45.363 45.100 0.074 0.000 0.958 263 G HN 0.534 nan 8.290 nan 0.000 0.543 264 E N 0.801 121.106 120.200 0.175 0.000 2.447 264 E HA 0.189 4.544 4.350 0.009 0.000 0.204 264 E C 0.647 177.526 176.600 0.464 0.000 0.977 264 E CA 0.604 57.135 56.400 0.218 0.000 0.950 264 E CB 0.491 30.251 29.700 0.100 0.000 0.975 264 E HN 0.365 nan 8.360 nan 0.000 0.496 265 T N 1.996 116.741 114.554 0.317 0.000 2.743 265 T HA 0.105 4.460 4.350 0.009 0.000 0.293 265 T C 0.018 174.702 174.700 -0.027 0.000 0.945 265 T CA -0.109 62.084 62.100 0.154 0.000 1.030 265 T CB 1.155 70.058 68.868 0.059 0.000 0.912 265 T HN -0.007 nan 8.240 nan 0.000 0.483 266 Q N 4.065 123.603 119.800 -0.438 0.000 2.314 266 Q HA 0.240 4.585 4.340 0.009 0.000 0.257 266 Q C 0.192 175.896 176.000 -0.493 0.000 0.975 266 Q CA -0.415 54.759 55.803 -1.048 0.000 0.933 266 Q CB 0.786 28.580 28.738 -1.574 0.000 1.195 266 Q HN 0.509 nan 8.270 nan 0.000 0.426 267 V N 3.184 122.860 119.914 -0.396 0.000 2.500 267 V HA 0.246 4.371 4.120 0.009 0.000 0.243 267 V C 0.452 176.453 176.094 -0.155 0.000 1.039 267 V CA 1.309 63.514 62.300 -0.158 0.000 1.053 267 V CB 0.205 32.049 31.823 0.034 0.000 0.695 267 V HN 0.822 nan 8.190 nan 0.000 0.463 268 A N -0.886 121.814 122.820 -0.201 0.000 2.589 268 A HA 0.746 5.072 4.320 0.009 0.000 0.296 268 A C -0.769 176.713 177.584 -0.170 0.000 1.062 268 A CA -0.039 51.910 52.037 -0.146 0.000 0.686 268 A CB 1.975 20.929 19.000 -0.076 0.000 1.282 268 A HN 0.118 nan 8.150 nan 0.000 0.404 269 S N 0.216 115.840 115.700 -0.127 0.000 2.547 269 S HA 0.812 5.288 4.470 0.009 0.000 0.281 269 S C -0.346 174.217 174.600 -0.062 0.000 1.118 269 S CA 0.208 58.349 58.200 -0.100 0.000 0.947 269 S CB 1.581 64.716 63.200 -0.108 0.000 1.053 269 S HN 2.119 nan 8.310 nan 0.000 0.482 270 G N 2.164 110.937 108.800 -0.045 0.000 2.617 270 G HA2 0.617 4.583 3.960 0.009 0.000 0.306 270 G HA3 0.617 4.583 3.960 0.009 0.000 0.306 270 G C -1.144 173.741 174.900 -0.025 0.000 1.360 270 G CA -0.539 44.539 45.100 -0.037 0.000 0.983 270 G HN 0.714 nan 8.290 nan 0.000 0.496 271 T N 0.091 114.635 114.554 -0.018 0.000 2.829 271 T HA 0.844 5.200 4.350 0.009 0.000 0.280 271 T C -0.115 174.560 174.700 -0.042 0.000 0.999 271 T CA -0.238 61.862 62.100 0.000 0.000 0.983 271 T CB 1.850 70.752 68.868 0.057 0.000 0.968 271 T HN 1.453 nan 8.240 nan 0.000 0.446 272 A N 3.590 126.357 122.820 -0.088 0.000 2.608 272 A HA 0.871 5.196 4.320 0.009 0.000 0.292 272 A C -3.215 174.230 177.584 -0.232 0.000 1.066 272 A CA -1.514 50.442 52.037 -0.136 0.000 0.676 272 A CB 1.396 20.308 19.000 -0.147 0.000 1.277 272 A HN 0.537 nan 8.150 nan 0.000 0.413 273 P HA 0.618 nan 4.420 nan 0.000 0.290 273 P C -0.651 176.519 177.300 -0.217 0.000 1.283 273 P CA -0.458 62.523 63.100 -0.198 0.000 0.869 273 P CB 0.563 32.216 31.700 -0.078 0.000 1.100 274 F N 0.891 120.803 119.950 -0.063 0.000 2.586 274 F HA 0.369 4.902 4.527 0.009 0.000 0.344 274 F C 1.642 177.424 175.800 -0.031 0.000 1.188 274 F CA 1.967 59.938 58.000 -0.048 0.000 1.359 274 F CB -0.115 38.850 39.000 -0.058 0.000 1.129 274 F HN 0.617 nan 8.300 nan 0.000 0.609 275 G N 1.384 110.326 108.800 0.236 0.000 3.393 275 G HA2 0.352 4.317 3.960 0.009 0.000 0.676 275 G HA3 0.352 4.317 3.960 0.009 0.000 0.676 275 G C -0.484 174.472 174.900 0.094 0.000 1.224 275 G CA -0.808 44.371 45.100 0.132 0.000 1.109 275 G HN 1.052 nan 8.290 nan 0.000 0.519 276 G N 0.709 109.581 108.800 0.120 0.000 2.547 276 G HA2 0.694 4.659 3.960 0.009 0.000 0.291 276 G HA3 0.694 4.659 3.960 0.009 0.000 0.291 276 G C 0.231 175.172 174.900 0.069 0.000 1.211 276 G CA -0.335 44.828 45.100 0.106 0.000 0.950 276 G HN 0.867 nan 8.290 nan 0.000 0.504 277 E N -0.617 119.618 120.200 0.059 0.000 2.410 277 E HA 0.231 4.586 4.350 0.009 0.000 0.255 277 E C 0.432 177.051 176.600 0.033 0.000 1.194 277 E CA -0.658 55.764 56.400 0.036 0.000 0.955 277 E CB 0.551 30.267 29.700 0.027 0.000 0.988 277 E HN 0.125 nan 8.360 nan 0.000 0.461 278 I N 1.781 122.359 120.570 0.013 0.000 2.872 278 I HA -0.095 4.081 4.170 0.009 0.000 0.291 278 I C 1.126 177.247 176.117 0.007 0.000 1.216 278 I CA 0.411 61.711 61.300 -0.000 0.000 1.424 278 I CB 0.207 38.203 38.000 -0.006 0.000 1.351 278 I HN 0.725 nan 8.210 nan 0.000 0.592 279 I N 1.771 122.335 120.570 -0.010 0.000 4.046 279 I HA 0.256 4.432 4.170 0.009 0.000 0.285 279 I C -0.434 175.678 176.117 -0.009 0.000 1.183 279 I CA 0.020 61.323 61.300 0.005 0.000 1.337 279 I CB 0.966 38.996 38.000 0.049 0.000 1.478 279 I HN 0.555 nan 8.210 nan 0.000 0.452 280 D N 0.208 120.589 120.400 -0.032 0.000 2.732 280 D HA 0.252 4.898 4.640 0.009 0.000 0.292 280 D C 0.254 176.533 176.300 -0.035 0.000 1.135 280 D CA -0.512 53.471 54.000 -0.029 0.000 1.071 280 D CB 0.601 41.383 40.800 -0.030 0.000 1.457 280 D HN -0.051 nan 8.370 nan 0.000 0.547 281 E N -0.935 119.248 120.200 -0.028 0.000 2.394 281 E HA -0.154 4.202 4.350 0.009 0.000 0.202 281 E C 1.273 177.851 176.600 -0.037 0.000 1.029 281 E CA 1.073 57.457 56.400 -0.027 0.000 0.855 281 E CB -0.029 29.658 29.700 -0.021 0.000 0.770 281 E HN 0.208 nan 8.360 nan 0.000 0.527 282 R N -1.026 119.443 120.500 -0.053 0.000 2.237 282 R HA 0.354 4.700 4.340 0.009 0.000 0.195 282 R C 1.148 177.403 176.300 -0.076 0.000 0.956 282 R CA 0.834 56.896 56.100 -0.064 0.000 1.029 282 R CB 0.522 30.774 30.300 -0.079 0.000 0.972 282 R HN 0.210 nan 8.270 nan 0.000 0.493 283 G N -0.889 107.861 108.800 -0.083 0.000 2.225 283 G HA2 0.158 4.123 3.960 0.009 0.000 0.203 283 G HA3 0.158 4.123 3.960 0.009 0.000 0.203 283 G C -0.624 174.209 174.900 -0.112 0.000 1.335 283 G CA -0.518 44.533 45.100 -0.082 0.000 1.183 283 G HN 0.493 nan 8.290 nan 0.000 0.488 284 G N -1.785 106.940 108.800 -0.125 0.000 2.949 284 G HA2 0.664 4.630 3.960 0.009 0.000 0.285 284 G HA3 0.664 4.630 3.960 0.009 0.000 0.285 284 G C -1.641 173.138 174.900 -0.202 0.000 1.395 284 G CA -0.744 44.281 45.100 -0.126 0.000 0.901 284 G HN 0.725 nan 8.290 nan 0.000 0.519 285 Y N 0.475 120.784 120.300 0.015 0.000 2.359 285 Y HA 0.438 4.993 4.550 0.009 0.000 0.334 285 Y C 1.397 177.313 175.900 0.026 0.000 1.058 285 Y CA 0.275 58.384 58.100 0.016 0.000 1.244 285 Y CB 1.842 40.315 38.460 0.022 0.000 1.187 285 Y HN 0.549 nan 8.280 nan 0.000 0.510 286 A N 1.746 124.630 122.820 0.106 0.000 2.123 286 A HA -0.074 4.251 4.320 0.009 0.000 0.214 286 A C 1.159 178.795 177.584 0.087 0.000 1.152 286 A CA 1.031 53.115 52.037 0.077 0.000 0.728 286 A CB -0.250 18.755 19.000 0.008 0.000 0.814 286 A HN 0.797 nan 8.150 nan 0.000 0.464 287 D N -0.892 119.544 120.400 0.061 0.000 2.491 287 D HA 0.221 4.866 4.640 0.009 0.000 0.228 287 D C 0.384 176.714 176.300 0.050 0.000 1.183 287 D CA -0.055 53.880 54.000 -0.109 0.000 0.827 287 D CB 0.061 40.794 40.800 -0.112 0.000 0.989 287 D HN 0.293 nan 8.370 nan 0.000 0.494 288 R N -0.842 119.842 120.500 0.306 0.000 2.799 288 R HA 0.718 5.064 4.340 0.009 0.000 0.270 288 R C -1.877 174.612 176.300 0.315 0.000 1.010 288 R CA -1.057 55.225 56.100 0.304 0.000 0.916 288 R CB 2.980 33.340 30.300 0.100 0.000 1.228 288 R HN -0.014 nan 8.270 nan 0.000 0.469 289 V N 0.404 120.396 119.914 0.130 0.000 3.023 289 V HA 0.513 4.638 4.120 0.009 0.000 0.294 289 V C -1.794 174.271 176.094 -0.048 0.000 1.324 289 V CA -0.252 62.036 62.300 -0.020 0.000 0.979 289 V CB 2.646 34.326 31.823 -0.238 0.000 1.093 289 V HN 0.820 nan 8.190 nan 0.000 0.434 290 T N 7.441 121.968 114.554 -0.044 0.000 2.812 290 T HA 0.707 5.062 4.350 0.009 0.000 0.282 290 T C -0.773 173.899 174.700 -0.047 0.000 0.990 290 T CA -0.304 61.772 62.100 -0.039 0.000 0.960 290 T CB 1.234 70.090 68.868 -0.020 0.000 0.948 290 T HN 0.564 nan 8.240 nan 0.000 0.438 291 L N 3.067 124.261 121.223 -0.047 0.000 2.329 291 L HA 0.649 4.995 4.340 0.009 0.000 0.279 291 L C 0.277 177.125 176.870 -0.036 0.000 1.014 291 L CA -0.878 53.934 54.840 -0.047 0.000 0.814 291 L CB 1.678 43.705 42.059 -0.053 0.000 1.257 291 L HN 0.368 nan 8.230 nan 0.000 0.424 292 R N 3.404 123.883 120.500 -0.035 0.000 2.360 292 R HA 0.652 4.997 4.340 0.009 0.000 0.318 292 R C -1.303 174.978 176.300 -0.031 0.000 0.950 292 R CA -0.447 55.633 56.100 -0.034 0.000 0.837 292 R CB 1.326 31.606 30.300 -0.034 0.000 1.165 292 R HN 0.485 nan 8.270 nan 0.000 0.458 293 L N 2.631 123.839 121.223 -0.024 0.000 2.317 293 L HA 0.446 4.791 4.340 0.009 0.000 0.281 293 L C -0.226 176.635 176.870 -0.016 0.000 1.024 293 L CA -0.896 53.931 54.840 -0.020 0.000 0.810 293 L CB 1.718 43.769 42.059 -0.014 0.000 1.240 293 L HN 0.507 nan 8.230 nan 0.000 0.427 294 N N 1.536 120.219 118.700 -0.028 0.000 2.414 294 N HA 0.385 5.131 4.740 0.009 0.000 0.256 294 N C -1.126 174.357 175.510 -0.044 0.000 1.029 294 N CA -0.193 52.837 53.050 -0.034 0.000 0.948 294 N CB 1.414 39.880 38.487 -0.035 0.000 1.102 294 N HN 0.240 nan 8.380 nan 0.000 0.496 295 V N 2.251 122.129 119.914 -0.059 0.000 2.444 295 V HA 0.339 4.464 4.120 0.009 0.000 0.294 295 V C -0.127 175.895 176.094 -0.121 0.000 1.022 295 V CA -0.800 61.431 62.300 -0.116 0.000 0.850 295 V CB 1.492 33.188 31.823 -0.212 0.000 0.992 295 V HN 0.569 nan 8.190 nan 0.000 0.426 296 E N 3.657 123.804 120.200 -0.088 0.000 2.179 296 E HA 0.360 4.715 4.350 0.009 0.000 0.275 296 E C -0.459 176.112 176.600 -0.049 0.000 0.945 296 E CA -0.660 55.707 56.400 -0.054 0.000 0.792 296 E CB 1.173 30.853 29.700 -0.032 0.000 1.125 296 E HN 0.720 nan 8.360 nan 0.000 0.397 297 N N 2.109 120.796 118.700 -0.022 0.000 2.669 297 N HA -0.121 4.624 4.740 0.009 0.000 0.266 297 N C -2.392 173.107 175.510 -0.019 0.000 1.024 297 N CA 0.418 53.468 53.050 -0.000 0.000 0.766 297 N CB -1.193 37.300 38.487 0.009 0.000 0.898 297 N HN 0.380 nan 8.380 nan 0.000 0.548 298 P HA 0.180 nan 4.420 nan 0.000 0.276 298 P C -0.099 177.200 177.300 -0.003 0.000 1.252 298 P CA -0.067 62.943 63.100 -0.149 0.000 0.802 298 P CB 1.157 32.568 31.700 -0.482 0.000 1.035 299 K N 1.522 121.991 120.400 0.114 0.000 2.263 299 K HA 0.395 4.721 4.320 0.009 0.000 0.272 299 K C -0.153 176.596 176.600 0.249 0.000 1.033 299 K CA -0.568 55.818 56.287 0.166 0.000 0.884 299 K CB 0.572 33.183 32.500 0.184 0.000 1.107 299 K HN 0.424 nan 8.250 nan 0.000 0.460 300 L N 2.658 123.949 121.223 0.114 0.000 2.350 300 L HA 0.309 4.655 4.340 0.009 0.000 0.275 300 L C -0.132 176.797 176.870 0.097 0.000 1.099 300 L CA -0.798 54.100 54.840 0.097 0.000 0.808 300 L CB 0.530 42.487 42.059 -0.169 0.000 1.149 300 L HN 0.580 nan 8.230 nan 0.000 0.442 301 W N 3.274 124.586 121.300 0.021 0.000 2.365 301 W HA 0.476 5.141 4.660 0.008 0.000 0.316 301 W C -0.291 176.181 176.519 -0.078 0.000 1.164 301 W CA 0.097 57.450 57.345 0.014 0.000 1.204 301 W CB 1.267 30.781 29.460 0.090 0.000 1.213 301 W HN 0.575 nan 8.180 nan 0.000 0.539 302 S N 2.785 117.954 115.700 -0.885 0.000 2.625 302 S HA 0.640 5.115 4.470 0.009 0.000 0.271 302 S C 0.091 173.902 174.600 -1.314 0.000 1.161 302 S CA -0.425 57.298 58.200 -0.794 0.000 0.820 302 S CB 1.297 64.342 63.200 -0.258 0.000 1.137 302 S HN 0.741 nan 8.310 nan 0.000 0.470 303 A N 0.271 122.520 122.820 -0.953 0.000 2.014 303 A HA 0.060 4.386 4.320 0.009 0.000 0.218 303 A C 1.648 178.950 177.584 -0.470 0.000 1.163 303 A CA 1.171 52.677 52.037 -0.884 0.000 0.652 303 A CB -0.762 17.583 19.000 -1.091 0.000 0.808 303 A HN 0.854 nan 8.150 nan 0.000 0.449 304 E N -0.908 119.136 120.200 -0.260 0.000 2.152 304 E HA 0.077 4.432 4.350 0.009 0.000 0.192 304 E C -0.368 176.129 176.600 -0.172 0.000 0.983 304 E CA 0.717 57.036 56.400 -0.134 0.000 0.818 304 E CB 0.068 29.809 29.700 0.068 0.000 0.758 304 E HN 0.602 nan 8.360 nan 0.000 0.467 305 I N 1.134 121.549 120.570 -0.258 0.000 2.605 305 I HA 0.133 4.309 4.170 0.009 0.000 0.276 305 I C -2.633 173.271 176.117 -0.355 0.000 1.161 305 I CA -1.817 59.353 61.300 -0.217 0.000 1.064 305 I CB 2.277 40.197 38.000 -0.135 0.000 1.238 305 I HN -0.245 nan 8.210 nan 0.000 0.487 306 P HA 0.087 nan 4.420 nan 0.000 0.241 306 P C -0.768 176.544 177.300 0.020 0.000 1.760 306 P CA -0.092 62.770 63.100 -0.396 0.000 1.081 306 P CB -0.207 31.418 31.700 -0.125 0.000 1.975 307 N N 2.865 121.614 118.700 0.083 0.000 2.401 307 N HA 0.221 4.966 4.740 0.009 0.000 0.255 307 N C 0.098 175.890 175.510 0.470 0.000 1.110 307 N CA -0.014 53.169 53.050 0.223 0.000 0.949 307 N CB 0.922 39.529 38.487 0.200 0.000 1.110 307 N HN 0.286 nan 8.380 nan 0.000 0.490 308 L N 2.230 123.669 121.223 0.361 0.000 2.332 308 L HA 0.528 4.874 4.340 0.009 0.000 0.269 308 L C -0.646 176.444 176.870 0.366 0.000 1.016 308 L CA -0.820 54.267 54.840 0.412 0.000 0.809 308 L CB 0.907 43.128 42.059 0.270 0.000 1.280 308 L HN 0.356 nan 8.230 nan 0.000 0.447 309 Y N -0.212 120.213 120.300 0.208 0.000 2.662 309 Y HA 0.584 5.140 4.550 0.010 0.000 0.335 309 Y C -0.346 175.657 175.900 0.172 0.000 1.066 309 Y CA -1.131 57.093 58.100 0.208 0.000 1.116 309 Y CB 1.575 40.190 38.460 0.257 0.000 1.308 309 Y HN 0.367 nan 8.280 nan 0.000 0.502 310 R N 0.936 121.678 120.500 0.405 0.000 2.480 310 R HA 0.840 5.186 4.340 0.009 0.000 0.306 310 R C -1.633 174.853 176.300 0.309 0.000 0.958 310 R CA -0.578 55.686 56.100 0.273 0.000 0.861 310 R CB 1.070 31.459 30.300 0.149 0.000 1.171 310 R HN 0.784 nan 8.270 nan 0.000 0.445 311 A N 4.198 127.143 122.820 0.207 0.000 2.271 311 A HA 0.567 4.893 4.320 0.009 0.000 0.317 311 A C -0.969 176.668 177.584 0.089 0.000 1.245 311 A CA -0.621 51.522 52.037 0.177 0.000 0.857 311 A CB 1.302 20.382 19.000 0.133 0.000 1.175 311 A HN 0.472 nan 8.150 nan 0.000 0.512 312 V N 3.047 123.022 119.914 0.102 0.000 2.513 312 V HA 0.465 4.591 4.120 0.009 0.000 0.299 312 V C -0.281 175.778 176.094 -0.058 0.000 1.035 312 V CA -0.561 61.723 62.300 -0.026 0.000 0.889 312 V CB 1.644 33.443 31.823 -0.040 0.000 0.988 312 V HN 0.604 nan 8.190 nan 0.000 0.440 313 V N 4.620 124.438 119.914 -0.160 0.000 2.378 313 V HA 0.455 4.580 4.120 0.009 0.000 0.288 313 V C -0.199 175.819 176.094 -0.128 0.000 1.016 313 V CA -0.524 61.664 62.300 -0.188 0.000 0.840 313 V CB 1.516 33.092 31.823 -0.412 0.000 0.994 313 V HN 0.969 nan 8.190 nan 0.000 0.431 314 E N 4.194 124.357 120.200 -0.061 0.000 2.199 314 E HA 0.516 4.871 4.350 0.009 0.000 0.269 314 E C -1.226 175.447 176.600 0.122 0.000 0.899 314 E CA -1.040 55.356 56.400 -0.006 0.000 0.772 314 E CB 2.910 32.572 29.700 -0.063 0.000 1.155 314 E HN 0.399 nan 8.360 nan 0.000 0.408 315 L N 5.234 126.532 121.223 0.124 0.000 2.264 315 L HA 0.272 4.617 4.340 0.009 0.000 0.287 315 L C -0.915 176.098 176.870 0.238 0.000 1.039 315 L CA -0.092 54.846 54.840 0.163 0.000 0.829 315 L CB -0.105 42.008 42.059 0.091 0.000 1.211 315 L HN 0.581 nan 8.230 nan 0.000 0.427 316 H N 1.139 120.237 119.070 0.046 0.000 2.960 316 H HA 0.663 5.224 4.556 0.009 0.000 0.338 316 H C -0.657 174.735 175.328 0.105 0.000 1.261 316 H CA -0.402 55.683 56.048 0.062 0.000 1.136 316 H CB 0.649 30.430 29.762 0.033 0.000 1.875 316 H HN 0.445 nan 8.280 nan 0.000 0.550 317 T N -3.084 111.527 114.554 0.094 0.000 2.862 317 T HA 0.546 4.902 4.350 0.009 0.000 0.276 317 T C 1.426 176.139 174.700 0.023 0.000 0.974 317 T CA -0.168 61.981 62.100 0.082 0.000 0.966 317 T CB 1.181 70.099 68.868 0.085 0.000 1.072 317 T HN 0.780 nan 8.240 nan 0.000 0.538 318 A N 0.755 123.604 122.820 0.048 0.000 1.969 318 A HA 0.019 4.344 4.320 0.009 0.000 0.218 318 A C 1.479 179.104 177.584 0.068 0.000 1.169 318 A CA 1.470 53.533 52.037 0.044 0.000 0.635 318 A CB -1.089 17.941 19.000 0.050 0.000 0.810 318 A HN 0.972 nan 8.150 nan 0.000 0.445 319 D N -2.333 118.095 120.400 0.047 0.000 2.538 319 D HA 0.384 5.029 4.640 0.009 0.000 0.234 319 D C 1.008 177.340 176.300 0.053 0.000 1.191 319 D CA 0.570 54.590 54.000 0.034 0.000 0.828 319 D CB -0.426 40.375 40.800 0.001 0.000 0.981 319 D HN 0.521 nan 8.370 nan 0.000 0.490 320 G N -0.209 108.661 108.800 0.116 0.000 2.212 320 G HA2 -0.332 3.634 3.960 0.009 0.000 0.266 320 G HA3 -0.332 3.634 3.960 0.009 0.000 0.266 320 G C 0.585 175.556 174.900 0.119 0.000 0.978 320 G CA 0.406 45.590 45.100 0.139 0.000 0.632 320 G HN 0.459 nan 8.290 nan 0.000 0.537 321 T N 2.259 116.868 114.554 0.093 0.000 2.867 321 T HA 0.361 4.717 4.350 0.009 0.000 0.297 321 T C 0.496 175.269 174.700 0.121 0.000 0.989 321 T CA 0.012 62.155 62.100 0.071 0.000 1.159 321 T CB 1.333 70.216 68.868 0.025 0.000 0.928 321 T HN 0.315 nan 8.240 nan 0.000 0.538 322 L N 5.561 126.836 121.223 0.087 0.000 2.278 322 L HA 0.319 4.665 4.340 0.009 0.000 0.287 322 L C 1.011 177.931 176.870 0.083 0.000 1.072 322 L CA -0.095 54.801 54.840 0.094 0.000 0.819 322 L CB 0.400 42.482 42.059 0.038 0.000 1.176 322 L HN 0.763 nan 8.230 nan 0.000 0.435 323 I N 3.504 124.135 120.570 0.101 0.000 2.277 323 I HA -0.080 4.096 4.170 0.009 0.000 0.243 323 I C 0.676 176.815 176.117 0.037 0.000 1.094 323 I CA 0.685 62.025 61.300 0.067 0.000 1.393 323 I CB 0.269 38.312 38.000 0.071 0.000 1.078 323 I HN 0.703 nan 8.210 nan 0.000 0.417 324 E N 0.033 120.256 120.200 0.037 0.000 2.403 324 E HA 0.656 5.011 4.350 0.009 0.000 0.280 324 E C -1.659 174.959 176.600 0.030 0.000 1.101 324 E CA -0.988 55.428 56.400 0.027 0.000 0.856 324 E CB 1.491 31.174 29.700 -0.029 0.000 1.303 324 E HN -0.018 nan 8.360 nan 0.000 0.441 325 A N 1.218 124.086 122.820 0.079 0.000 2.469 325 A HA 0.796 5.122 4.320 0.009 0.000 0.299 325 A C -0.982 176.705 177.584 0.172 0.000 1.098 325 A CA -0.642 51.430 52.037 0.057 0.000 0.737 325 A CB 1.766 20.750 19.000 -0.027 0.000 1.312 325 A HN 0.563 nan 8.150 nan 0.000 0.414 326 E N -0.881 119.346 120.200 0.046 0.000 2.446 326 E HA 0.783 5.139 4.350 0.009 0.000 0.276 326 E C -0.818 175.765 176.600 -0.028 0.000 0.969 326 E CA -0.641 55.860 56.400 0.169 0.000 0.800 326 E CB 2.436 32.194 29.700 0.096 0.000 1.341 326 E HN 1.308 nan 8.360 nan 0.000 0.460 327 A N -0.028 122.890 122.820 0.164 0.000 2.586 327 A HA 0.707 5.033 4.320 0.009 0.000 0.291 327 A C -1.217 176.552 177.584 0.308 0.000 1.062 327 A CA -0.419 51.665 52.037 0.080 0.000 0.666 327 A CB 0.784 19.698 19.000 -0.144 0.000 1.281 327 A HN 0.894 nan 8.150 nan 0.000 0.421 328 C N -0.391 119.056 119.300 0.246 0.000 3.288 328 C HA 0.823 5.288 4.460 0.009 0.000 0.318 328 C C -1.223 173.855 174.990 0.147 0.000 1.356 328 C CA -0.935 58.215 59.018 0.219 0.000 1.359 328 C CB 1.170 29.047 27.740 0.228 0.000 1.688 328 C HN 0.833 nan 8.230 nan 0.000 0.467 329 D N 0.877 121.342 120.400 0.108 0.000 2.341 329 D HA 0.523 5.169 4.640 0.009 0.000 0.245 329 D C -0.405 175.932 176.300 0.062 0.000 1.106 329 D CA 0.198 54.266 54.000 0.113 0.000 0.905 329 D CB 1.841 42.708 40.800 0.111 0.000 1.202 329 D HN 0.527 nan 8.370 nan 0.000 0.426 330 V N 0.823 120.801 119.914 0.107 0.000 2.540 330 V HA 0.660 4.785 4.120 0.009 0.000 0.302 330 V C 0.431 176.556 176.094 0.051 0.000 1.035 330 V CA -0.733 61.569 62.300 0.003 0.000 0.873 330 V CB 2.098 33.923 31.823 0.003 0.000 0.992 330 V HN 0.631 nan 8.190 nan 0.000 0.428 331 G N 3.153 111.890 108.800 -0.105 0.000 2.626 331 G HA2 0.611 4.577 3.960 0.009 0.000 0.304 331 G HA3 0.611 4.577 3.960 0.009 0.000 0.304 331 G C -1.142 173.789 174.900 0.052 0.000 1.385 331 G CA -0.396 44.717 45.100 0.022 0.000 0.957 331 G HN 0.443 nan 8.290 nan 0.000 0.504 332 F N 2.586 122.668 119.950 0.221 0.000 2.434 332 F HA 0.480 5.012 4.527 0.009 0.000 0.358 332 F C 0.998 177.005 175.800 0.345 0.000 1.136 332 F CA -0.226 57.971 58.000 0.329 0.000 1.157 332 F CB 0.884 40.079 39.000 0.324 0.000 1.167 332 F HN 0.493 nan 8.300 nan 0.000 0.539 333 R N 1.377 122.157 120.500 0.467 0.000 2.707 333 R HA 0.540 4.886 4.340 0.009 0.000 0.272 333 R C -1.598 174.912 176.300 0.349 0.000 1.011 333 R CA -1.079 55.181 56.100 0.266 0.000 0.893 333 R CB 1.595 32.050 30.300 0.257 0.000 1.233 333 R HN 0.421 nan 8.270 nan 0.000 0.464 334 E N 1.912 122.233 120.200 0.202 0.000 2.191 334 E HA 0.389 4.745 4.350 0.009 0.000 0.263 334 E C -1.289 175.406 176.600 0.159 0.000 0.881 334 E CA -0.958 55.613 56.400 0.286 0.000 0.757 334 E CB 2.003 31.941 29.700 0.396 0.000 1.147 334 E HN 0.446 nan 8.360 nan 0.000 0.414 335 V N 5.661 125.654 119.914 0.132 0.000 2.328 335 V HA 0.518 4.644 4.120 0.009 0.000 0.278 335 V C -0.023 176.116 176.094 0.075 0.000 1.021 335 V CA -0.523 61.822 62.300 0.075 0.000 0.838 335 V CB 1.187 33.031 31.823 0.035 0.000 0.999 335 V HN 0.603 nan 8.190 nan 0.000 0.447 336 R N 4.174 124.715 120.500 0.068 0.000 2.626 336 R HA 0.607 4.953 4.340 0.009 0.000 0.274 336 R C -1.539 174.789 176.300 0.047 0.000 1.031 336 R CA -0.740 55.400 56.100 0.067 0.000 0.898 336 R CB 2.117 32.473 30.300 0.094 0.000 1.222 336 R HN 0.650 nan 8.270 nan 0.000 0.455 337 I N 3.101 123.696 120.570 0.042 0.000 2.307 337 I HA 0.214 4.390 4.170 0.009 0.000 0.289 337 I C -0.367 175.770 176.117 0.035 0.000 1.021 337 I CA -0.105 61.214 61.300 0.031 0.000 1.224 337 I CB 1.489 39.508 38.000 0.031 0.000 1.376 337 I HN 0.541 nan 8.210 nan 0.000 0.470 338 E N 6.712 126.931 120.200 0.031 0.000 2.216 338 E HA 0.210 4.565 4.350 0.009 0.000 0.260 338 E C -0.144 176.470 176.600 0.024 0.000 0.880 338 E CA -0.479 55.941 56.400 0.033 0.000 0.765 338 E CB 0.751 30.477 29.700 0.042 0.000 1.174 338 E HN 0.553 nan 8.360 nan 0.000 0.417 339 N N 3.736 122.449 118.700 0.022 0.000 2.780 339 N HA -0.212 4.534 4.740 0.009 0.000 0.248 339 N C 0.403 175.919 175.510 0.009 0.000 1.102 339 N CA 1.895 54.955 53.050 0.016 0.000 0.697 339 N CB -1.243 37.254 38.487 0.017 0.000 1.028 339 N HN 0.947 nan 8.380 nan 0.000 0.554 340 G N -2.111 106.694 108.800 0.008 0.000 2.217 340 G HA2 -0.280 3.685 3.960 0.009 0.000 0.246 340 G HA3 -0.280 3.685 3.960 0.009 0.000 0.246 340 G C -0.028 174.864 174.900 -0.012 0.000 0.990 340 G CA 0.409 45.508 45.100 -0.001 0.000 0.627 340 G HN 0.465 nan 8.290 nan 0.000 0.522 341 L N 0.384 121.603 121.223 -0.008 0.000 2.325 341 L HA 0.754 5.099 4.340 0.009 0.000 0.278 341 L C 0.094 176.955 176.870 -0.015 0.000 1.023 341 L CA -1.220 53.609 54.840 -0.018 0.000 0.811 341 L CB 1.824 43.872 42.059 -0.019 0.000 1.249 341 L HN 0.130 nan 8.230 nan 0.000 0.431 342 L N 4.264 125.466 121.223 -0.034 0.000 2.259 342 L HA 0.473 4.818 4.340 0.009 0.000 0.288 342 L C -0.922 175.928 176.870 -0.032 0.000 1.051 342 L CA 0.254 55.075 54.840 -0.032 0.000 0.824 342 L CB 0.360 42.387 42.059 -0.053 0.000 1.206 342 L HN 0.401 nan 8.230 nan 0.000 0.429 343 L N 5.620 126.842 121.223 -0.002 0.000 2.325 343 L HA 0.566 4.912 4.340 0.009 0.000 0.278 343 L C -0.683 176.203 176.870 0.026 0.000 1.023 343 L CA -0.698 54.151 54.840 0.015 0.000 0.811 343 L CB 1.914 44.002 42.059 0.049 0.000 1.249 343 L HN 0.570 nan 8.230 nan 0.000 0.431 344 L N 3.605 124.855 121.223 0.044 0.000 2.356 344 L HA 0.502 4.848 4.340 0.009 0.000 0.277 344 L C -0.060 176.859 176.870 0.081 0.000 0.996 344 L CA -0.223 54.655 54.840 0.064 0.000 0.822 344 L CB 1.086 43.176 42.059 0.051 0.000 1.256 344 L HN 0.619 nan 8.230 nan 0.000 0.413 345 N N 4.096 122.735 118.700 -0.102 0.000 2.696 345 N HA -0.241 4.504 4.740 0.009 0.000 0.249 345 N C 0.855 176.147 175.510 -0.364 0.000 1.090 345 N CA 1.441 54.196 53.050 -0.492 0.000 0.716 345 N CB -1.181 36.836 38.487 -0.782 0.000 1.020 345 N HN 1.218 nan 8.380 nan 0.000 0.548 346 G N -2.061 106.732 108.800 -0.012 0.000 2.279 346 G HA2 -0.313 3.653 3.960 0.009 0.000 0.223 346 G HA3 -0.313 3.653 3.960 0.009 0.000 0.223 346 G C -0.057 174.886 174.900 0.073 0.000 1.015 346 G CA 0.532 45.688 45.100 0.094 0.000 0.621 346 G HN 0.419 nan 8.290 nan 0.000 0.506 347 K N 1.585 122.027 120.400 0.069 0.000 2.098 347 K HA 0.567 4.893 4.320 0.009 0.000 0.258 347 K C -2.924 173.669 176.600 -0.012 0.000 0.973 347 K CA -2.023 54.262 56.287 -0.003 0.000 0.898 347 K CB 2.198 34.625 32.500 -0.122 0.000 1.057 347 K HN 0.189 nan 8.250 nan 0.000 0.447 348 P HA 0.274 nan 4.420 nan 0.000 0.293 348 P C -0.086 177.162 177.300 -0.086 0.000 1.313 348 P CA -0.422 62.645 63.100 -0.055 0.000 0.787 348 P CB 0.668 32.335 31.700 -0.054 0.000 0.910 349 L N 3.585 124.752 121.223 -0.093 0.000 2.467 349 L HA 0.162 4.507 4.340 0.009 0.000 0.270 349 L C 0.696 177.490 176.870 -0.127 0.000 1.205 349 L CA -0.205 54.565 54.840 -0.117 0.000 0.828 349 L CB 0.228 42.183 42.059 -0.173 0.000 1.101 349 L HN 0.294 nan 8.230 nan 0.000 0.479 350 L N 3.969 125.129 121.223 -0.105 0.000 2.442 350 L HA 0.392 4.738 4.340 0.009 0.000 0.261 350 L C -0.623 176.202 176.870 -0.075 0.000 1.000 350 L CA -0.282 54.488 54.840 -0.116 0.000 0.882 350 L CB 0.856 42.874 42.059 -0.068 0.000 1.207 350 L HN 0.227 nan 8.230 nan 0.000 0.443 351 I N 4.420 124.887 120.570 -0.172 0.000 2.494 351 I HA 0.170 4.346 4.170 0.009 0.000 0.289 351 I C 0.681 176.746 176.117 -0.086 0.000 1.106 351 I CA 0.442 61.643 61.300 -0.166 0.000 1.369 351 I CB 0.106 37.909 38.000 -0.330 0.000 1.410 351 I HN 0.509 nan 8.210 nan 0.000 0.523 352 R N 4.637 125.156 120.500 0.031 0.000 2.666 352 R HA 0.557 4.903 4.340 0.009 0.000 0.275 352 R C 0.398 176.756 176.300 0.097 0.000 1.266 352 R CA -0.294 55.847 56.100 0.068 0.000 1.401 352 R CB 1.029 31.209 30.300 -0.200 0.000 1.145 352 R HN 0.824 nan 8.270 nan 0.000 0.581 353 G N -0.080 108.782 108.800 0.103 0.000 3.015 353 G HA2 0.656 4.622 3.960 0.009 0.000 0.281 353 G HA3 0.656 4.622 3.960 0.009 0.000 0.281 353 G C -1.539 173.651 174.900 0.483 0.000 1.386 353 G CA -0.466 44.799 45.100 0.274 0.000 0.959 353 G HN 0.219 nan 8.290 nan 0.000 0.522 354 V N -0.789 119.383 119.914 0.431 0.000 3.178 354 V HA 0.575 4.700 4.120 0.009 0.000 0.302 354 V C -1.516 174.719 176.094 0.235 0.000 1.262 354 V CA -1.215 61.258 62.300 0.287 0.000 1.030 354 V CB 2.262 33.950 31.823 -0.226 0.000 1.074 354 V HN 0.698 nan 8.190 nan 0.000 0.438 355 N N 3.865 122.631 118.700 0.109 0.000 2.472 355 N HA 0.472 5.217 4.740 0.009 0.000 0.277 355 N C -0.713 174.601 175.510 -0.327 0.000 1.081 355 N CA -0.202 52.784 53.050 -0.105 0.000 0.973 355 N CB 1.348 39.798 38.487 -0.061 0.000 1.105 355 N HN 0.752 nan 8.380 nan 0.000 0.470 356 R N 1.888 122.171 120.500 -0.362 0.000 2.651 356 R HA 0.341 4.687 4.340 0.009 0.000 0.278 356 R C -1.395 174.683 176.300 -0.370 0.000 1.010 356 R CA -0.545 55.355 56.100 -0.333 0.000 0.896 356 R CB 1.171 31.279 30.300 -0.320 0.000 1.211 356 R HN 0.578 nan 8.270 nan 0.000 0.456 357 H N 0.621 119.555 119.070 -0.227 0.000 2.595 357 H HA 0.271 4.833 4.556 0.010 0.000 0.346 357 H C -0.609 174.707 175.328 -0.021 0.000 1.181 357 H CA -0.562 55.440 56.048 -0.077 0.000 1.242 357 H CB 1.789 31.561 29.762 0.016 0.000 1.652 357 H HN 0.454 nan 8.280 nan 0.000 0.548 358 E N 1.765 122.132 120.200 0.278 0.000 2.014 358 E HA 0.149 4.505 4.350 0.009 0.000 0.275 358 E C -0.974 175.765 176.600 0.232 0.000 0.997 358 E CA -0.188 56.309 56.400 0.161 0.000 0.804 358 E CB 0.814 30.607 29.700 0.155 0.000 1.090 358 E HN 0.438 nan 8.360 nan 0.000 0.401 359 H N 1.562 120.684 119.070 0.086 0.000 2.856 359 H HA 0.262 4.823 4.556 0.009 0.000 0.355 359 H C -1.664 173.710 175.328 0.076 0.000 1.079 359 H CA -0.570 55.522 56.048 0.074 0.000 1.240 359 H CB 1.267 31.053 29.762 0.040 0.000 1.701 359 H HN 0.426 nan 8.280 nan 0.000 0.527 360 H N 6.580 125.306 119.070 -0.574 0.000 3.181 360 H HA 0.161 4.723 4.556 0.009 0.000 0.331 360 H C -2.275 172.690 175.328 -0.605 0.000 0.988 360 H CA -2.112 53.690 56.048 -0.409 0.000 1.449 360 H CB 2.332 31.984 29.762 -0.182 0.000 1.749 360 H HN 0.540 nan 8.280 nan 0.000 0.501 361 P HA -0.199 nan 4.420 nan 0.000 0.218 361 P C 1.416 178.600 177.300 -0.192 0.000 1.152 361 P CA 1.069 63.984 63.100 -0.308 0.000 0.857 361 P CB 0.763 32.313 31.700 -0.251 0.000 0.787 362 L N -2.393 118.802 121.223 -0.047 0.000 2.200 362 L HA 0.051 4.396 4.340 0.009 0.000 0.200 362 L C 2.543 179.433 176.870 0.033 0.000 1.072 362 L CA 0.924 55.754 54.840 -0.018 0.000 0.787 362 L CB -0.464 41.514 42.059 -0.136 0.000 0.957 362 L HN -0.012 nan 8.230 nan 0.000 0.459 363 H N -1.104 118.025 119.070 0.098 0.000 2.548 363 H HA 0.167 4.728 4.556 0.009 0.000 0.265 363 H C 1.370 176.609 175.328 -0.149 0.000 0.969 363 H CA 0.075 56.040 56.048 -0.139 0.000 1.155 363 H CB 0.404 29.933 29.762 -0.389 0.000 1.394 363 H HN 0.476 nan 8.280 nan 0.000 0.570 364 G N 1.423 110.179 108.800 -0.074 0.000 2.536 364 G HA2 -0.364 3.602 3.960 0.009 0.000 0.277 364 G HA3 -0.364 3.602 3.960 0.009 0.000 0.277 364 G C 0.325 175.153 174.900 -0.120 0.000 1.155 364 G CA 0.137 45.128 45.100 -0.182 0.000 0.960 364 G HN 0.437 nan 8.290 nan 0.000 0.544 365 Q N -0.023 119.719 119.800 -0.097 0.000 2.225 365 Q HA 0.517 4.863 4.340 0.009 0.000 0.259 365 Q C -0.124 175.933 176.000 0.094 0.000 0.872 365 Q CA -0.207 55.573 55.803 -0.037 0.000 1.042 365 Q CB 1.356 29.980 28.738 -0.191 0.000 1.142 365 Q HN 0.372 nan 8.270 nan 0.000 0.463 366 V N 1.827 121.792 119.914 0.085 0.000 2.385 366 V HA 0.232 4.358 4.120 0.009 0.000 0.269 366 V C 0.029 176.162 176.094 0.064 0.000 1.043 366 V CA -0.289 62.070 62.300 0.097 0.000 0.906 366 V CB 0.897 32.699 31.823 -0.034 0.000 0.995 366 V HN 0.381 nan 8.190 nan 0.000 0.467 367 M N 4.794 124.441 119.600 0.078 0.000 2.342 367 M HA 0.452 4.938 4.480 0.009 0.000 0.332 367 M C -0.229 176.013 176.300 -0.095 0.000 1.166 367 M CA -1.035 54.257 55.300 -0.015 0.000 1.086 367 M CB 1.159 33.710 32.600 -0.082 0.000 1.541 367 M HN 0.902 nan 8.290 nan 0.000 0.462 368 D N -1.434 118.919 120.400 -0.077 0.000 2.523 368 D HA 0.272 4.918 4.640 0.009 0.000 0.236 368 D C 0.284 176.561 176.300 -0.039 0.000 1.094 368 D CA -0.689 53.274 54.000 -0.061 0.000 0.942 368 D CB 1.065 41.859 40.800 -0.009 0.000 1.447 368 D HN 0.691 nan 8.370 nan 0.000 0.479 369 E N -0.593 119.604 120.200 -0.005 0.000 2.204 369 E HA -0.247 4.109 4.350 0.009 0.000 0.195 369 E C 1.222 177.866 176.600 0.074 0.000 0.990 369 E CA 1.105 57.529 56.400 0.039 0.000 0.821 369 E CB 0.153 29.893 29.700 0.066 0.000 0.750 369 E HN 0.408 nan 8.360 nan 0.000 0.477 370 Q N 0.097 119.942 119.800 0.074 0.000 2.049 370 Q HA -0.081 4.264 4.340 0.009 0.000 0.198 370 Q C 2.307 178.369 176.000 0.103 0.000 0.971 370 Q CA 1.811 57.668 55.803 0.090 0.000 0.833 370 Q CB -0.823 27.970 28.738 0.091 0.000 0.896 370 Q HN 0.272 nan 8.270 nan 0.000 0.434 371 T N 1.957 116.579 114.554 0.114 0.000 2.652 371 T HA -0.163 4.193 4.350 0.009 0.000 0.267 371 T C 2.054 176.831 174.700 0.128 0.000 1.039 371 T CA 1.634 63.815 62.100 0.135 0.000 1.153 371 T CB -0.264 68.706 68.868 0.169 0.000 0.863 371 T HN 0.195 nan 8.240 nan 0.000 0.428 372 M N 0.562 120.237 119.600 0.125 0.000 2.110 372 M HA -0.180 4.305 4.480 0.009 0.000 0.257 372 M C 2.479 178.907 176.300 0.214 0.000 1.071 372 M CA 1.695 57.141 55.300 0.245 0.000 1.096 372 M CB -1.010 31.774 32.600 0.307 0.000 1.300 372 M HN 0.098 nan 8.290 nan 0.000 0.411 373 V N 0.071 120.043 119.914 0.097 0.000 2.282 373 V HA -0.341 3.785 4.120 0.009 0.000 0.249 373 V C 2.370 178.456 176.094 -0.014 0.000 1.057 373 V CA 2.273 64.555 62.300 -0.030 0.000 1.032 373 V CB -0.993 30.846 31.823 0.027 0.000 0.645 373 V HN 0.564 nan 8.190 nan 0.000 0.447 374 Q N -0.238 119.605 119.800 0.072 0.000 1.985 374 Q HA -0.302 4.044 4.340 0.009 0.000 0.207 374 Q C 2.151 178.235 176.000 0.140 0.000 0.996 374 Q CA 2.446 58.312 55.803 0.105 0.000 0.851 374 Q CB -0.301 28.510 28.738 0.122 0.000 0.921 374 Q HN 0.632 nan 8.270 nan 0.000 0.418 375 D N 0.323 120.838 120.400 0.192 0.000 2.160 375 D HA -0.232 4.414 4.640 0.009 0.000 0.189 375 D C 1.943 178.265 176.300 0.036 0.000 1.003 375 D CA 1.588 55.731 54.000 0.239 0.000 0.846 375 D CB -0.477 40.426 40.800 0.173 0.000 0.949 375 D HN 0.345 nan 8.370 nan 0.000 0.446 376 I N 0.547 121.106 120.570 -0.019 0.000 2.118 376 I HA -0.291 3.884 4.170 0.009 0.000 0.241 376 I C 2.537 178.564 176.117 -0.149 0.000 1.070 376 I CA 0.881 62.067 61.300 -0.189 0.000 1.327 376 I CB -0.226 37.531 38.000 -0.406 0.000 1.034 376 I HN 0.025 nan 8.210 nan 0.000 0.405 377 L N -0.026 121.143 121.223 -0.090 0.000 2.127 377 L HA -0.258 4.088 4.340 0.009 0.000 0.211 377 L C 2.502 179.466 176.870 0.156 0.000 1.089 377 L CA 1.239 56.118 54.840 0.065 0.000 0.757 377 L CB -0.544 41.585 42.059 0.117 0.000 0.899 377 L HN 0.343 nan 8.230 nan 0.000 0.434 378 L N -1.002 120.334 121.223 0.187 0.000 2.027 378 L HA -0.217 4.129 4.340 0.009 0.000 0.206 378 L C 2.709 179.772 176.870 0.322 0.000 1.074 378 L CA 1.333 56.364 54.840 0.318 0.000 0.745 378 L CB -0.351 42.013 42.059 0.508 0.000 0.898 378 L HN 0.324 nan 8.230 nan 0.000 0.433 379 M N -0.509 119.145 119.600 0.091 0.000 2.065 379 M HA -0.251 4.235 4.480 0.009 0.000 0.259 379 M C 2.254 178.657 176.300 0.172 0.000 1.071 379 M CA 1.779 57.088 55.300 0.016 0.000 1.109 379 M CB -0.638 31.746 32.600 -0.359 0.000 1.313 379 M HN 0.082 nan 8.290 nan 0.000 0.408 380 K N 0.352 120.732 120.400 -0.035 0.000 2.160 380 K HA -0.224 4.102 4.320 0.009 0.000 0.206 380 K C 1.974 178.457 176.600 -0.195 0.000 1.047 380 K CA 1.625 57.751 56.287 -0.269 0.000 0.930 380 K CB -0.232 31.929 32.500 -0.564 0.000 0.720 380 K HN 0.479 nan 8.250 nan 0.000 0.450 381 Q N -0.099 119.796 119.800 0.160 0.000 2.311 381 Q HA 0.005 4.351 4.340 0.009 0.000 0.203 381 Q C 0.686 176.967 176.000 0.469 0.000 0.954 381 Q CA 0.682 56.738 55.803 0.422 0.000 0.885 381 Q CB 0.326 29.321 28.738 0.428 0.000 0.963 381 Q HN 0.263 nan 8.270 nan 0.000 0.471 382 N N 0.579 119.503 118.700 0.373 0.000 2.321 382 N HA 0.070 4.815 4.740 0.009 0.000 0.242 382 N C -0.732 174.850 175.510 0.121 0.000 1.141 382 N CA 0.014 53.271 53.050 0.345 0.000 0.864 382 N CB 0.812 39.578 38.487 0.465 0.000 1.100 382 N HN 0.142 nan 8.380 nan 0.000 0.510 383 N N 0.007 118.761 118.700 0.089 0.000 2.850 383 N HA -0.178 4.568 4.740 0.009 0.000 0.249 383 N C -0.718 174.588 175.510 -0.340 0.000 1.060 383 N CA 0.778 53.764 53.050 -0.107 0.000 0.825 383 N CB -1.872 36.434 38.487 -0.303 0.000 1.132 383 N HN 0.278 nan 8.380 nan 0.000 0.564 384 F N 0.818 120.767 119.950 -0.002 0.000 2.429 384 F HA 0.244 4.776 4.527 0.009 0.000 0.348 384 F C 1.866 177.660 175.800 -0.009 0.000 1.109 384 F CA 0.052 58.039 58.000 -0.022 0.000 1.232 384 F CB 0.647 39.603 39.000 -0.073 0.000 1.157 384 F HN -0.030 nan 8.300 nan 0.000 0.564 385 N N 0.506 119.319 118.700 0.189 0.000 2.503 385 N HA 0.380 5.126 4.740 0.009 0.000 0.210 385 N C -0.545 175.066 175.510 0.168 0.000 1.077 385 N CA -0.022 53.128 53.050 0.166 0.000 0.855 385 N CB 0.530 39.189 38.487 0.285 0.000 1.323 385 N HN 0.585 nan 8.380 nan 0.000 0.452 386 A N 0.566 123.551 122.820 0.275 0.000 2.527 386 A HA 0.724 5.050 4.320 0.009 0.000 0.293 386 A C -1.591 176.222 177.584 0.382 0.000 1.117 386 A CA -0.418 51.836 52.037 0.362 0.000 0.723 386 A CB 2.053 21.272 19.000 0.366 0.000 1.313 386 A HN -0.057 nan 8.150 nan 0.000 0.411 387 V N 0.373 120.554 119.914 0.445 0.000 3.087 387 V HA 0.756 4.881 4.120 0.009 0.000 0.306 387 V C -0.863 175.379 176.094 0.245 0.000 1.187 387 V CA -0.729 61.797 62.300 0.377 0.000 0.999 387 V CB 2.097 34.039 31.823 0.198 0.000 1.049 387 V HN 1.106 nan 8.190 nan 0.000 0.431 388 R N 4.069 124.568 120.500 -0.002 0.000 2.445 388 R HA 0.511 4.856 4.340 0.009 0.000 0.308 388 R C -0.681 175.489 176.300 -0.217 0.000 0.961 388 R CA -0.452 55.490 56.100 -0.263 0.000 0.862 388 R CB 1.155 31.115 30.300 -0.567 0.000 1.144 388 R HN 0.824 nan 8.270 nan 0.000 0.447 389 C N 4.066 123.257 119.300 -0.181 0.000 3.247 389 C HA 0.153 4.619 4.460 0.009 0.000 0.573 389 C C 0.571 175.257 174.990 -0.506 0.000 1.106 389 C CA -0.720 58.124 59.018 -0.289 0.000 1.209 389 C CB -2.167 25.507 27.740 -0.110 0.000 1.460 389 C HN 0.722 nan 8.230 nan 0.000 0.634 390 S N 0.915 116.222 115.700 -0.655 0.000 2.443 390 S HA 0.160 4.636 4.470 0.009 0.000 0.284 390 S C 0.025 173.776 174.600 -1.415 0.000 1.206 390 S CA 0.148 57.700 58.200 -1.081 0.000 1.074 390 S CB -0.065 62.450 63.200 -1.141 0.000 0.963 390 S HN 0.752 nan 8.310 nan 0.000 0.501 391 H N 3.569 121.946 119.070 -1.155 0.000 2.716 391 H HA 0.287 4.848 4.556 0.009 0.000 0.230 391 H C -1.155 173.981 175.328 -0.321 0.000 1.401 391 H CA -0.356 55.405 56.048 -0.478 0.000 1.168 391 H CB -0.151 29.577 29.762 -0.056 0.000 1.935 391 H HN 0.881 nan 8.280 nan 0.000 0.538 392 Y N -2.758 117.622 120.300 0.134 0.000 2.702 392 Y HA 0.422 4.978 4.550 0.010 0.000 0.336 392 Y C -3.217 172.776 175.900 0.156 0.000 1.203 392 Y CA -3.382 54.813 58.100 0.158 0.000 1.072 392 Y CB -0.067 38.494 38.460 0.169 0.000 1.327 392 Y HN -0.157 nan 8.280 nan 0.000 0.456 393 P HA 0.131 nan 4.420 nan 0.000 0.268 393 P C -0.738 176.853 177.300 0.486 0.000 1.204 393 P CA 0.289 63.630 63.100 0.403 0.000 0.768 393 P CB 0.575 32.450 31.700 0.292 0.000 0.842 394 N N 0.743 119.731 118.700 0.480 0.000 2.458 394 N HA 0.088 4.834 4.740 0.009 0.000 0.271 394 N C 0.296 176.049 175.510 0.405 0.000 1.210 394 N CA -0.622 52.639 53.050 0.353 0.000 0.978 394 N CB 0.375 38.878 38.487 0.026 0.000 1.206 394 N HN 0.602 nan 8.380 nan 0.000 0.536 395 H N 1.729 120.910 119.070 0.185 0.000 3.092 395 H HA -0.028 4.534 4.556 0.009 0.000 0.332 395 H C -1.694 173.802 175.328 0.279 0.000 1.029 395 H CA -0.575 55.572 56.048 0.165 0.000 1.376 395 H CB 0.898 30.716 29.762 0.094 0.000 1.329 395 H HN 0.428 nan 8.280 nan 0.000 0.598 396 P HA -0.188 nan 4.420 nan 0.000 0.216 396 P C 1.897 179.506 177.300 0.516 0.000 1.150 396 P CA 0.737 64.079 63.100 0.404 0.000 0.837 396 P CB 0.162 31.945 31.700 0.139 0.000 0.786 397 L N -1.100 120.476 121.223 0.588 0.000 2.131 397 L HA -0.086 4.260 4.340 0.009 0.000 0.210 397 L C 2.316 179.342 176.870 0.260 0.000 1.092 397 L CA 1.477 56.538 54.840 0.370 0.000 0.759 397 L CB -1.379 40.856 42.059 0.292 0.000 0.903 397 L HN 0.047 nan 8.230 nan 0.000 0.435 398 W N -0.249 121.054 121.300 0.005 0.000 2.280 398 W HA -0.421 4.244 4.660 0.009 0.000 0.332 398 W C 2.285 178.624 176.519 -0.300 0.000 1.300 398 W CA 2.438 59.641 57.345 -0.237 0.000 1.274 398 W CB -0.601 28.587 29.460 -0.454 0.000 1.141 398 W HN 0.282 nan 8.180 nan 0.000 0.474 399 Y N 0.449 120.650 120.300 -0.164 0.000 2.165 399 Y HA -0.259 4.296 4.550 0.009 0.000 0.286 399 Y C 2.840 178.528 175.900 -0.353 0.000 1.155 399 Y CA 2.252 60.054 58.100 -0.498 0.000 1.164 399 Y CB -1.410 36.377 38.460 -1.121 0.000 0.978 399 Y HN -0.180 nan 8.280 nan 0.000 0.513 400 T N 0.704 115.266 114.554 0.013 0.000 2.788 400 T HA -0.133 4.223 4.350 0.009 0.000 0.268 400 T C 1.968 176.724 174.700 0.093 0.000 1.044 400 T CA 1.311 63.505 62.100 0.157 0.000 1.139 400 T CB -0.480 68.534 68.868 0.243 0.000 0.867 400 T HN 0.233 nan 8.240 nan 0.000 0.454 401 L N 0.308 121.535 121.223 0.007 0.000 2.027 401 L HA -0.084 4.262 4.340 0.009 0.000 0.206 401 L C 2.935 179.836 176.870 0.052 0.000 1.074 401 L CA 0.958 55.851 54.840 0.089 0.000 0.745 401 L CB -0.891 41.135 42.059 -0.055 0.000 0.898 401 L HN 0.346 nan 8.230 nan 0.000 0.433 402 C N 0.072 119.187 119.300 -0.308 0.000 2.401 402 C HA -0.195 4.271 4.460 0.009 0.000 0.276 402 C C 2.478 177.538 174.990 0.117 0.000 1.233 402 C CA 0.713 59.599 59.018 -0.219 0.000 1.753 402 C CB -0.863 26.623 27.740 -0.423 0.000 2.029 402 C HN 0.553 nan 8.230 nan 0.000 0.478 403 D N 0.224 120.696 120.400 0.119 0.000 2.106 403 D HA -0.127 4.519 4.640 0.009 0.000 0.191 403 D C 2.373 178.906 176.300 0.388 0.000 0.997 403 D CA 1.414 55.548 54.000 0.222 0.000 0.834 403 D CB -0.372 40.512 40.800 0.139 0.000 0.956 403 D HN 0.343 nan 8.370 nan 0.000 0.448 404 R N -0.868 119.755 120.500 0.205 0.000 2.075 404 R HA -0.053 4.293 4.340 0.009 0.000 0.232 404 R C 2.252 178.529 176.300 -0.039 0.000 1.126 404 R CA 1.026 57.169 56.100 0.072 0.000 0.963 404 R CB -0.528 29.738 30.300 -0.057 0.000 0.858 404 R HN 0.343 nan 8.270 nan 0.000 0.435 405 Y N -1.807 118.520 120.300 0.045 0.000 2.448 405 Y HA 0.245 4.801 4.550 0.009 0.000 0.289 405 Y C 1.066 176.903 175.900 -0.105 0.000 1.114 405 Y CA 0.777 58.870 58.100 -0.012 0.000 1.235 405 Y CB 0.732 39.151 38.460 -0.069 0.000 1.045 405 Y HN 0.237 nan 8.280 nan 0.000 0.554 406 G N 0.827 109.659 108.800 0.054 0.000 2.618 406 G HA2 -0.155 3.810 3.960 0.009 0.000 0.180 406 G HA3 -0.155 3.810 3.960 0.009 0.000 0.180 406 G C -0.898 173.821 174.900 -0.301 0.000 1.092 406 G CA -0.578 44.393 45.100 -0.215 0.000 0.856 406 G HN 0.142 nan 8.290 nan 0.000 0.496 407 L N 0.225 121.365 121.223 -0.138 0.000 2.385 407 L HA 0.521 4.867 4.340 0.009 0.000 0.273 407 L C 0.186 177.042 176.870 -0.024 0.000 0.990 407 L CA -1.466 53.252 54.840 -0.203 0.000 0.821 407 L CB 1.595 43.557 42.059 -0.161 0.000 1.279 407 L HN 0.266 nan 8.230 nan 0.000 0.412 408 Y N 2.340 122.778 120.300 0.232 0.000 2.465 408 Y HA 0.240 4.797 4.550 0.011 0.000 0.331 408 Y C 0.320 176.335 175.900 0.193 0.000 1.102 408 Y CA -0.552 57.706 58.100 0.264 0.000 1.358 408 Y CB 0.617 39.220 38.460 0.237 0.000 1.213 408 Y HN 0.177 nan 8.280 nan 0.000 0.525 409 V N 4.493 124.573 119.914 0.277 0.000 2.581 409 V HA 0.307 4.432 4.120 0.009 0.000 0.303 409 V C -0.368 175.811 176.094 0.141 0.000 1.041 409 V CA -1.046 61.369 62.300 0.193 0.000 0.907 409 V CB 1.984 33.886 31.823 0.131 0.000 0.994 409 V HN 0.471 nan 8.190 nan 0.000 0.442 410 V N 3.113 123.083 119.914 0.093 0.000 2.277 410 V HA 0.246 4.372 4.120 0.009 0.000 0.269 410 V C -0.206 175.923 176.094 0.057 0.000 1.036 410 V CA -0.388 61.921 62.300 0.014 0.000 0.821 410 V CB 1.152 32.898 31.823 -0.128 0.000 1.052 410 V HN 0.925 nan 8.190 nan 0.000 0.462 411 D N 4.246 124.714 120.400 0.112 0.000 2.371 411 D HA 0.159 4.804 4.640 0.009 0.000 0.256 411 D C 0.018 176.486 176.300 0.280 0.000 1.193 411 D CA 0.319 54.471 54.000 0.253 0.000 0.881 411 D CB 0.823 41.793 40.800 0.283 0.000 1.143 411 D HN 0.671 nan 8.370 nan 0.000 0.473 412 E N 2.261 122.588 120.200 0.213 0.000 2.199 412 E HA 0.598 4.954 4.350 0.009 0.000 0.269 412 E C -1.075 175.639 176.600 0.191 0.000 0.899 412 E CA -1.143 55.367 56.400 0.183 0.000 0.772 412 E CB 1.290 31.048 29.700 0.097 0.000 1.155 412 E HN 0.462 nan 8.360 nan 0.000 0.408 413 A N 3.772 126.702 122.820 0.183 0.000 2.445 413 A HA 0.069 4.395 4.320 0.009 0.000 0.242 413 A C 0.310 178.003 177.584 0.182 0.000 1.075 413 A CA -0.274 51.855 52.037 0.153 0.000 0.777 413 A CB 0.152 19.206 19.000 0.091 0.000 1.013 413 A HN 0.703 nan 8.150 nan 0.000 0.493 414 N N 1.237 120.056 118.700 0.198 0.000 2.971 414 N HA 0.264 5.009 4.740 0.009 0.000 0.294 414 N C -1.106 174.517 175.510 0.189 0.000 1.210 414 N CA 0.224 53.425 53.050 0.252 0.000 1.157 414 N CB -0.864 37.778 38.487 0.258 0.000 1.450 414 N HN 0.474 nan 8.380 nan 0.000 0.527 415 I N 0.832 121.503 120.570 0.168 0.000 2.503 415 I HA 0.244 4.420 4.170 0.009 0.000 0.282 415 I C -0.519 175.675 176.117 0.128 0.000 1.059 415 I CA -0.459 60.920 61.300 0.131 0.000 1.081 415 I CB 1.647 39.694 38.000 0.079 0.000 1.210 415 I HN 0.199 nan 8.210 nan 0.000 0.450 416 E N 4.427 124.701 120.200 0.124 0.000 2.302 416 E HA 0.292 4.648 4.350 0.009 0.000 0.263 416 E C -0.413 176.229 176.600 0.070 0.000 0.897 416 E CA -0.319 56.127 56.400 0.076 0.000 0.809 416 E CB 1.425 31.144 29.700 0.032 0.000 1.270 416 E HN 0.607 nan 8.360 nan 0.000 0.410 417 T N 0.610 115.202 114.554 0.062 0.000 3.275 417 T HA 0.130 4.486 4.350 0.009 0.000 0.265 417 T C 1.033 175.770 174.700 0.062 0.000 0.978 417 T CA -0.281 61.878 62.100 0.098 0.000 0.923 417 T CB -0.270 68.642 68.868 0.073 0.000 1.126 417 T HN 0.626 nan 8.240 nan 0.000 0.538 418 H N 1.645 120.628 119.070 -0.146 0.000 2.297 418 H HA -0.126 4.436 4.556 0.010 0.000 0.289 418 H C 2.111 177.325 175.328 -0.191 0.000 1.105 418 H CA 1.385 57.319 56.048 -0.190 0.000 1.219 418 H CB -0.347 29.254 29.762 -0.268 0.000 1.351 418 H HN 0.583 nan 8.280 nan 0.000 0.481 419 G N 0.425 109.123 108.800 -0.170 0.000 3.318 419 G HA2 0.067 4.032 3.960 0.009 0.000 0.230 419 G HA3 0.067 4.032 3.960 0.009 0.000 0.230 419 G C -0.140 174.873 174.900 0.189 0.000 1.317 419 G CA -0.069 44.953 45.100 -0.131 0.000 1.197 419 G HN 0.150 nan 8.290 nan 0.000 0.514 420 M N -0.090 119.603 119.600 0.156 0.000 2.644 420 M HA 0.451 4.936 4.480 0.009 0.000 0.316 420 M C -0.709 175.615 176.300 0.041 0.000 1.200 420 M CA -1.004 54.365 55.300 0.115 0.000 0.944 420 M CB 2.069 34.710 32.600 0.068 0.000 1.691 420 M HN -0.205 nan 8.290 nan 0.000 0.471 421 V N 3.265 123.188 119.914 0.014 0.000 2.349 421 V HA 0.392 4.518 4.120 0.009 0.000 0.284 421 V C -2.082 174.005 176.094 -0.011 0.000 1.014 421 V CA -1.228 61.069 62.300 -0.006 0.000 0.826 421 V CB 1.311 33.125 31.823 -0.015 0.000 1.009 421 V HN 0.689 nan 8.190 nan 0.000 0.431 422 P HA 0.313 nan 4.420 nan 0.000 0.279 422 P C 1.059 178.358 177.300 -0.001 0.000 1.282 422 P CA -0.630 62.465 63.100 -0.010 0.000 0.788 422 P CB 0.843 32.538 31.700 -0.009 0.000 1.139 423 M N -0.069 119.533 119.600 0.004 0.000 2.358 423 M HA -0.145 4.340 4.480 0.009 0.000 0.264 423 M C 1.549 177.863 176.300 0.024 0.000 1.064 423 M CA 1.620 56.930 55.300 0.017 0.000 1.093 423 M CB -0.420 32.178 32.600 -0.004 0.000 1.401 423 M HN 0.342 nan 8.290 nan 0.000 0.440 424 N N -0.511 118.201 118.700 0.020 0.000 2.416 424 N HA -0.120 4.625 4.740 0.009 0.000 0.177 424 N C 1.571 177.059 175.510 -0.037 0.000 1.036 424 N CA 0.089 53.148 53.050 0.015 0.000 0.901 424 N CB 0.167 38.655 38.487 0.002 0.000 0.976 424 N HN 0.233 nan 8.380 nan 0.000 0.444 425 R N 0.858 121.328 120.500 -0.050 0.000 2.190 425 R HA -0.192 4.154 4.340 0.009 0.000 0.255 425 R C 1.733 177.942 176.300 -0.150 0.000 1.143 425 R CA 1.609 57.660 56.100 -0.082 0.000 0.965 425 R CB -0.153 30.098 30.300 -0.082 0.000 0.889 425 R HN 0.260 nan 8.270 nan 0.000 0.448 426 L N -1.616 119.458 121.223 -0.248 0.000 2.221 426 L HA 0.029 4.375 4.340 0.009 0.000 0.202 426 L C 2.345 179.103 176.870 -0.186 0.000 1.074 426 L CA 1.118 55.705 54.840 -0.423 0.000 0.795 426 L CB -0.466 41.062 42.059 -0.885 0.000 0.960 426 L HN 0.357 nan 8.230 nan 0.000 0.458 427 T N -3.934 110.529 114.554 -0.152 0.000 2.977 427 T HA -0.193 4.163 4.350 0.009 0.000 0.271 427 T C 1.127 175.727 174.700 -0.167 0.000 1.105 427 T CA 1.395 63.382 62.100 -0.188 0.000 1.116 427 T CB -0.271 68.492 68.868 -0.176 0.000 0.878 427 T HN 0.131 nan 8.240 nan 0.000 0.509 428 D N 0.715 121.061 120.400 -0.090 0.000 2.402 428 D HA 0.139 4.785 4.640 0.009 0.000 0.216 428 D C -0.588 175.697 176.300 -0.025 0.000 1.128 428 D CA -0.307 53.651 54.000 -0.069 0.000 0.833 428 D CB 0.089 40.853 40.800 -0.060 0.000 0.971 428 D HN 0.235 nan 8.370 nan 0.000 0.503 429 D N -0.022 120.391 120.400 0.021 0.000 2.453 429 D HA 0.147 4.793 4.640 0.009 0.000 0.238 429 D C -1.682 174.684 176.300 0.109 0.000 1.088 429 D CA -2.187 51.869 54.000 0.094 0.000 0.854 429 D CB 2.143 43.069 40.800 0.211 0.000 1.076 429 D HN -0.069 nan 8.370 nan 0.000 0.533 430 P HA -0.220 nan 4.420 nan 0.000 0.218 430 P C 1.111 178.393 177.300 -0.030 0.000 1.152 430 P CA 1.219 64.317 63.100 -0.004 0.000 0.857 430 P CB 0.190 31.880 31.700 -0.016 0.000 0.787 431 R N -1.838 118.640 120.500 -0.037 0.000 2.193 431 R HA -0.108 4.238 4.340 0.009 0.000 0.229 431 R C 1.902 177.968 176.300 -0.389 0.000 1.110 431 R CA 1.314 57.298 56.100 -0.194 0.000 0.988 431 R CB -0.858 29.309 30.300 -0.221 0.000 0.871 431 R HN 0.357 nan 8.270 nan 0.000 0.458 432 W N 0.414 121.650 121.300 -0.107 0.000 3.256 432 W HA 0.080 4.745 4.660 0.009 0.000 0.269 432 W C 1.660 178.110 176.519 -0.115 0.000 1.310 432 W CA -0.479 56.800 57.345 -0.110 0.000 1.673 432 W CB -0.067 29.327 29.460 -0.109 0.000 1.115 432 W HN -0.006 nan 8.180 nan 0.000 0.686 433 L N 2.436 123.657 121.223 -0.003 0.000 1.956 433 L HA -0.128 4.218 4.340 0.009 0.000 0.216 433 L C -0.432 176.387 176.870 -0.084 0.000 1.073 433 L CA 2.309 57.120 54.840 -0.048 0.000 0.762 433 L CB -2.011 40.011 42.059 -0.061 0.000 0.889 433 L HN -0.185 nan 8.230 nan 0.000 0.433 434 P HA -0.213 nan 4.420 nan 0.000 0.215 434 P C 1.630 178.859 177.300 -0.118 0.000 1.163 434 P CA 2.488 65.510 63.100 -0.128 0.000 0.894 434 P CB -0.305 31.309 31.700 -0.142 0.000 0.791 435 A N -0.594 122.165 122.820 -0.101 0.000 1.865 435 A HA -0.242 4.083 4.320 0.009 0.000 0.217 435 A C 2.279 179.854 177.584 -0.015 0.000 1.191 435 A CA 2.626 54.640 52.037 -0.039 0.000 0.623 435 A CB -1.570 17.454 19.000 0.039 0.000 0.826 435 A HN 0.105 nan 8.150 nan 0.000 0.444 436 M N -0.203 119.401 119.600 0.006 0.000 2.086 436 M HA -0.158 4.327 4.480 0.009 0.000 0.261 436 M C 2.557 178.790 176.300 -0.112 0.000 1.067 436 M CA 1.791 57.072 55.300 -0.031 0.000 1.116 436 M CB -0.767 31.797 32.600 -0.061 0.000 1.348 436 M HN 0.654 nan 8.290 nan 0.000 0.407 437 S N 1.078 116.689 115.700 -0.148 0.000 2.378 437 S HA -0.241 4.235 4.470 0.009 0.000 0.229 437 S C 1.617 176.038 174.600 -0.298 0.000 1.052 437 S CA 1.978 60.027 58.200 -0.252 0.000 1.084 437 S CB -0.531 62.521 63.200 -0.248 0.000 0.950 437 S HN 0.564 nan 8.310 nan 0.000 0.440 438 E N 0.389 120.461 120.200 -0.213 0.000 2.478 438 E HA -0.013 4.342 4.350 0.009 0.000 0.198 438 E C 2.165 178.668 176.600 -0.162 0.000 1.046 438 E CA 0.372 56.650 56.400 -0.203 0.000 0.870 438 E CB -0.052 29.563 29.700 -0.141 0.000 0.818 438 E HN 0.671 nan 8.360 nan 0.000 0.527 439 R N 0.050 120.474 120.500 -0.127 0.000 2.254 439 R HA 0.054 4.400 4.340 0.009 0.000 0.195 439 R C 2.097 178.337 176.300 -0.100 0.000 0.957 439 R CA 0.304 56.362 56.100 -0.070 0.000 1.024 439 R CB 0.193 30.492 30.300 -0.002 0.000 0.952 439 R HN -0.005 nan 8.270 nan 0.000 0.484 440 V N 1.140 120.943 119.914 -0.184 0.000 2.326 440 V HA -0.182 3.944 4.120 0.009 0.000 0.238 440 V C 2.653 178.540 176.094 -0.345 0.000 1.038 440 V CA 2.244 64.407 62.300 -0.229 0.000 1.032 440 V CB -0.681 30.998 31.823 -0.241 0.000 0.675 440 V HN 0.404 nan 8.190 nan 0.000 0.467 441 T N 0.755 114.959 114.554 -0.583 0.000 2.665 441 T HA -0.313 4.043 4.350 0.009 0.000 0.268 441 T C 1.895 176.429 174.700 -0.276 0.000 1.035 441 T CA 2.042 63.713 62.100 -0.715 0.000 1.151 441 T CB -0.544 67.775 68.868 -0.915 0.000 0.862 441 T HN 0.494 nan 8.240 nan 0.000 0.438 442 R N 0.612 120.980 120.500 -0.220 0.000 2.115 442 R HA 0.224 4.570 4.340 0.009 0.000 0.230 442 R C 2.754 178.982 176.300 -0.120 0.000 1.111 442 R CA 1.333 57.346 56.100 -0.145 0.000 0.976 442 R CB -0.554 29.666 30.300 -0.134 0.000 0.870 442 R HN 0.440 nan 8.270 nan 0.000 0.445 443 M N 1.082 120.615 119.600 -0.112 0.000 2.067 443 M HA -0.160 4.326 4.480 0.009 0.000 0.260 443 M C 1.976 178.217 176.300 -0.098 0.000 1.069 443 M CA 1.742 57.009 55.300 -0.056 0.000 1.117 443 M CB -0.015 32.586 32.600 0.002 0.000 1.334 443 M HN 0.027 nan 8.290 nan 0.000 0.407 444 V N 2.007 121.751 119.914 -0.283 0.000 2.282 444 V HA -0.339 3.786 4.120 0.009 0.000 0.249 444 V C 2.559 178.576 176.094 -0.128 0.000 1.057 444 V CA 2.485 64.497 62.300 -0.480 0.000 1.032 444 V CB -1.371 30.147 31.823 -0.507 0.000 0.645 444 V HN 0.727 nan 8.190 nan 0.000 0.447 445 Q N 0.589 120.340 119.800 -0.081 0.000 2.439 445 Q HA -0.231 4.115 4.340 0.009 0.000 0.211 445 Q C 2.175 178.119 176.000 -0.092 0.000 0.978 445 Q CA 1.821 57.588 55.803 -0.060 0.000 0.897 445 Q CB -0.270 28.469 28.738 0.002 0.000 0.956 445 Q HN 0.673 nan 8.270 nan 0.000 0.483 446 R N -0.060 120.379 120.500 -0.101 0.000 2.146 446 R HA -0.001 4.345 4.340 0.009 0.000 0.206 446 R C 0.532 176.772 176.300 -0.101 0.000 1.049 446 R CA 0.999 57.011 56.100 -0.147 0.000 1.029 446 R CB 0.537 30.741 30.300 -0.159 0.000 0.949 446 R HN 0.146 nan 8.270 nan 0.000 0.471 447 D N 0.450 120.844 120.400 -0.010 0.000 2.360 447 D HA -0.009 4.637 4.640 0.009 0.000 0.210 447 D C 1.415 177.796 176.300 0.135 0.000 1.047 447 D CA 0.245 54.263 54.000 0.031 0.000 0.854 447 D CB 0.273 41.059 40.800 -0.023 0.000 0.936 447 D HN 0.335 nan 8.370 nan 0.000 0.514 448 R N 0.541 121.157 120.500 0.193 0.000 2.303 448 R HA 0.017 4.362 4.340 0.009 0.000 0.225 448 R C 1.141 177.416 176.300 -0.041 0.000 1.114 448 R CA 1.045 57.265 56.100 0.200 0.000 1.007 448 R CB -0.306 30.096 30.300 0.169 0.000 0.861 448 R HN -0.055 nan 8.270 nan 0.000 0.471 449 N N 0.130 118.730 118.700 -0.166 0.000 2.373 449 N HA -0.017 4.728 4.740 0.009 0.000 0.181 449 N C -0.385 174.943 175.510 -0.302 0.000 1.082 449 N CA 0.225 53.120 53.050 -0.258 0.000 0.885 449 N CB 0.104 38.390 38.487 -0.336 0.000 0.977 449 N HN 0.342 nan 8.380 nan 0.000 0.462 450 H N 1.056 120.033 119.070 -0.155 0.000 2.683 450 H HA 0.084 4.646 4.556 0.009 0.000 0.339 450 H C -1.305 173.851 175.328 -0.286 0.000 1.081 450 H CA -0.872 55.072 56.048 -0.174 0.000 1.432 450 H CB 1.379 31.079 29.762 -0.104 0.000 1.462 450 H HN 0.072 nan 8.280 nan 0.000 0.557 451 P HA -0.046 nan 4.420 nan 0.000 0.236 451 P C 1.142 177.973 177.300 -0.780 0.000 1.177 451 P CA 0.504 63.242 63.100 -0.603 0.000 0.773 451 P CB 0.317 31.420 31.700 -0.995 0.000 0.878 452 S N -0.867 114.505 115.700 -0.548 0.000 2.406 452 S HA -0.004 4.471 4.470 0.009 0.000 0.228 452 S C 1.106 175.662 174.600 -0.073 0.000 1.020 452 S CA 0.187 58.209 58.200 -0.297 0.000 0.965 452 S CB -1.352 61.812 63.200 -0.060 0.000 0.798 452 S HN -0.075 nan 8.310 nan 0.000 0.488 453 V N 3.852 123.693 119.914 -0.122 0.000 2.485 453 V HA 0.176 4.301 4.120 0.009 0.000 0.287 453 V C 0.979 176.922 176.094 -0.252 0.000 1.022 453 V CA 0.216 62.400 62.300 -0.193 0.000 1.067 453 V CB 0.130 31.731 31.823 -0.370 0.000 0.967 453 V HN 0.616 nan 8.190 nan 0.000 0.479 454 I N 2.053 122.522 120.570 -0.169 0.000 4.439 454 I HA 0.533 4.708 4.170 0.009 0.000 0.331 454 I C 0.228 176.237 176.117 -0.180 0.000 1.345 454 I CA 0.308 61.526 61.300 -0.137 0.000 1.193 454 I CB 0.545 38.557 38.000 0.020 0.000 1.221 454 I HN 0.328 nan 8.210 nan 0.000 0.429 455 I N 0.800 121.240 120.570 -0.218 0.000 2.649 455 I HA 0.308 4.483 4.170 0.009 0.000 0.289 455 I C -1.746 174.319 176.117 -0.087 0.000 1.222 455 I CA -0.292 60.939 61.300 -0.115 0.000 1.046 455 I CB 2.104 40.108 38.000 0.008 0.000 1.272 455 I HN 0.070 nan 8.210 nan 0.000 0.425 456 W N 4.747 126.085 121.300 0.064 0.000 2.433 456 W HA 0.572 5.237 4.660 0.007 0.000 0.315 456 W C 0.482 177.054 176.519 0.088 0.000 1.087 456 W CA -0.673 56.714 57.345 0.071 0.000 1.205 456 W CB 1.827 31.324 29.460 0.061 0.000 1.288 456 W HN 0.351 nan 8.180 nan 0.000 0.504 457 S N 2.916 118.827 115.700 0.351 0.000 2.578 457 S HA 0.464 4.939 4.470 0.009 0.000 0.301 457 S C 0.156 174.900 174.600 0.241 0.000 1.091 457 S CA -0.717 57.640 58.200 0.263 0.000 1.032 457 S CB 0.923 64.237 63.200 0.191 0.000 1.064 457 S HN 0.568 nan 8.310 nan 0.000 0.508 458 L N 3.624 124.982 121.223 0.226 0.000 2.627 458 L HA 0.399 4.745 4.340 0.009 0.000 0.232 458 L C 1.307 178.192 176.870 0.026 0.000 1.150 458 L CA 0.328 55.202 54.840 0.057 0.000 0.917 458 L CB -1.138 40.840 42.059 -0.134 0.000 1.104 458 L HN 1.024 nan 8.230 nan 0.000 0.445 459 G N 0.204 109.111 108.800 0.179 0.000 2.396 459 G HA2 -0.193 3.773 3.960 0.009 0.000 0.254 459 G HA3 -0.193 3.773 3.960 0.009 0.000 0.254 459 G C -1.341 173.749 174.900 0.318 0.000 1.248 459 G CA -0.647 44.572 45.100 0.199 0.000 1.033 459 G HN 0.189 nan 8.290 nan 0.000 0.502 460 N N 0.845 119.665 118.700 0.199 0.000 2.321 460 N HA 0.506 5.252 4.740 0.009 0.000 0.290 460 N C -0.063 175.453 175.510 0.011 0.000 1.212 460 N CA 0.114 53.181 53.050 0.028 0.000 0.767 460 N CB 1.274 39.514 38.487 -0.413 0.000 1.494 460 N HN 0.976 nan 8.380 nan 0.000 0.479 461 E N 0.068 120.163 120.200 -0.174 0.000 1.477 461 E HA -0.205 4.151 4.350 0.009 0.000 0.193 461 E C -0.712 175.802 176.600 -0.143 0.000 1.137 461 E CA 0.531 56.750 56.400 -0.302 0.000 0.566 461 E CB -1.419 27.853 29.700 -0.713 0.000 1.013 461 E HN 0.327 nan 8.360 nan 0.000 0.267 462 S N 0.732 116.496 115.700 0.107 0.000 2.937 462 S HA 0.388 4.864 4.470 0.009 0.000 0.252 462 S C 0.693 175.440 174.600 0.245 0.000 1.022 462 S CA -0.095 58.214 58.200 0.180 0.000 1.079 462 S CB 1.345 64.716 63.200 0.286 0.000 1.035 462 S HN 0.974 nan 8.310 nan 0.000 0.594 463 G N 1.923 110.811 108.800 0.146 0.000 2.749 463 G HA2 -0.254 3.711 3.960 0.009 0.000 0.242 463 G HA3 -0.254 3.711 3.960 0.009 0.000 0.242 463 G C -0.610 174.485 174.900 0.326 0.000 1.364 463 G CA -0.277 44.910 45.100 0.145 0.000 0.888 463 G HN 0.593 nan 8.290 nan 0.000 0.566 464 H N 0.459 119.629 119.070 0.167 0.000 2.539 464 H HA 0.599 5.160 4.556 0.009 0.000 0.332 464 H C 0.358 175.856 175.328 0.283 0.000 1.031 464 H CA -0.052 56.136 56.048 0.233 0.000 1.206 464 H CB 0.901 30.728 29.762 0.108 0.000 1.446 464 H HN 1.058 nan 8.280 nan 0.000 0.496 465 G N 1.605 110.432 108.800 0.044 0.000 2.605 465 G HA2 0.436 4.401 3.960 0.009 0.000 0.296 465 G HA3 0.436 4.401 3.960 0.009 0.000 0.296 465 G C 0.491 175.242 174.900 -0.247 0.000 1.304 465 G CA -0.148 44.835 45.100 -0.195 0.000 0.941 465 G HN 0.697 nan 8.290 nan 0.000 0.475 466 A N 0.540 123.253 122.820 -0.179 0.000 2.076 466 A HA -0.100 4.226 4.320 0.009 0.000 0.220 466 A C 2.022 179.569 177.584 -0.061 0.000 1.160 466 A CA 1.813 53.795 52.037 -0.092 0.000 0.653 466 A CB -0.350 18.620 19.000 -0.050 0.000 0.801 466 A HN 0.523 nan 8.150 nan 0.000 0.455 467 N N -0.532 118.095 118.700 -0.123 0.000 2.381 467 N HA -0.094 4.651 4.740 0.009 0.000 0.182 467 N C 1.228 176.651 175.510 -0.146 0.000 1.025 467 N CA 1.410 54.373 53.050 -0.145 0.000 0.888 467 N CB -0.519 37.844 38.487 -0.207 0.000 0.965 467 N HN 0.787 nan 8.380 nan 0.000 0.438 468 H N -0.060 118.999 119.070 -0.018 0.000 2.448 468 H HA 0.082 4.644 4.556 0.009 0.000 0.292 468 H C 1.153 176.546 175.328 0.108 0.000 1.035 468 H CA 0.789 56.843 56.048 0.010 0.000 1.349 468 H CB 0.326 30.127 29.762 0.065 0.000 1.425 468 H HN 0.142 nan 8.280 nan 0.000 0.539 469 D N 0.795 121.350 120.400 0.260 0.000 2.084 469 D HA -0.162 4.484 4.640 0.009 0.000 0.194 469 D C 2.322 178.763 176.300 0.234 0.000 0.990 469 D CA 1.269 55.398 54.000 0.215 0.000 0.826 469 D CB -0.460 40.449 40.800 0.182 0.000 0.971 469 D HN 0.400 nan 8.370 nan 0.000 0.453 470 A N 1.291 124.204 122.820 0.155 0.000 1.873 470 A HA -0.183 4.143 4.320 0.009 0.000 0.218 470 A C 2.502 180.197 177.584 0.186 0.000 1.193 470 A CA 1.286 53.410 52.037 0.145 0.000 0.629 470 A CB -1.004 18.039 19.000 0.072 0.000 0.826 470 A HN 0.197 nan 8.150 nan 0.000 0.447 471 L N -2.111 119.194 121.223 0.137 0.000 2.012 471 L HA -0.235 4.110 4.340 0.009 0.000 0.210 471 L C 2.670 179.689 176.870 0.248 0.000 1.073 471 L CA 2.154 57.070 54.840 0.126 0.000 0.748 471 L CB -0.865 41.199 42.059 0.009 0.000 0.891 471 L HN 0.658 nan 8.230 nan 0.000 0.431 472 Y N 0.547 120.919 120.300 0.121 0.000 2.207 472 Y HA -0.292 4.262 4.550 0.007 0.000 0.287 472 Y C 2.792 178.770 175.900 0.129 0.000 1.156 472 Y CA 1.330 59.507 58.100 0.129 0.000 1.182 472 Y CB -0.143 38.397 38.460 0.133 0.000 0.979 472 Y HN -0.024 nan 8.280 nan 0.000 0.521 473 R N 0.259 120.973 120.500 0.357 0.000 2.096 473 R HA -0.230 4.116 4.340 0.009 0.000 0.235 473 R C 1.947 178.282 176.300 0.058 0.000 1.127 473 R CA 1.924 58.130 56.100 0.177 0.000 0.968 473 R CB -1.613 28.825 30.300 0.230 0.000 0.861 473 R HN 0.694 nan 8.270 nan 0.000 0.440 474 W N 0.743 122.017 121.300 -0.044 0.000 2.358 474 W HA -0.133 4.533 4.660 0.010 0.000 0.303 474 W C 1.864 178.293 176.519 -0.150 0.000 1.208 474 W CA 1.678 58.972 57.345 -0.085 0.000 1.274 474 W CB -0.238 29.173 29.460 -0.082 0.000 1.138 474 W HN 0.019 nan 8.180 nan 0.000 0.515 475 I N 0.626 121.214 120.570 0.031 0.000 2.179 475 I HA -0.340 3.835 4.170 0.009 0.000 0.242 475 I C 2.455 178.406 176.117 -0.277 0.000 1.088 475 I CA 1.260 62.457 61.300 -0.172 0.000 1.357 475 I CB -0.769 37.148 38.000 -0.138 0.000 1.051 475 I HN -0.159 nan 8.210 nan 0.000 0.409 476 K N 0.395 120.629 120.400 -0.276 0.000 2.160 476 K HA -0.152 4.174 4.320 0.009 0.000 0.206 476 K C 2.299 178.776 176.600 -0.206 0.000 1.047 476 K CA 1.251 57.388 56.287 -0.249 0.000 0.930 476 K CB -0.448 31.848 32.500 -0.341 0.000 0.720 476 K HN 0.187 nan 8.250 nan 0.000 0.450 477 S N -0.048 115.498 115.700 -0.256 0.000 2.371 477 S HA -0.020 4.456 4.470 0.009 0.000 0.221 477 S C 1.939 176.334 174.600 -0.342 0.000 1.036 477 S CA 0.594 58.637 58.200 -0.261 0.000 0.965 477 S CB 0.162 63.190 63.200 -0.287 0.000 0.845 477 S HN 0.011 nan 8.310 nan 0.000 0.475 478 V N 0.740 120.331 119.914 -0.538 0.000 2.725 478 V HA 0.100 4.226 4.120 0.009 0.000 0.247 478 V C 0.269 176.143 176.094 -0.366 0.000 1.058 478 V CA 1.143 63.096 62.300 -0.579 0.000 1.080 478 V CB 0.055 31.216 31.823 -1.104 0.000 0.713 478 V HN 0.368 nan 8.190 nan 0.000 0.465 479 D N -0.934 119.302 120.400 -0.273 0.000 2.468 479 D HA 0.238 4.883 4.640 0.009 0.000 0.272 479 D C -1.824 174.477 176.300 0.002 0.000 1.221 479 D CA -1.687 52.263 54.000 -0.084 0.000 0.860 479 D CB 1.419 42.262 40.800 0.072 0.000 1.190 479 D HN 0.113 nan 8.370 nan 0.000 0.509 480 P HA -0.159 nan 4.420 nan 0.000 0.221 480 P C 1.470 178.784 177.300 0.023 0.000 1.145 480 P CA 0.709 63.798 63.100 -0.019 0.000 0.795 480 P CB 0.136 31.814 31.700 -0.037 0.000 0.775 481 S N -1.204 114.516 115.700 0.034 0.000 2.440 481 S HA -0.146 4.330 4.470 0.009 0.000 0.240 481 S C 0.924 175.545 174.600 0.035 0.000 1.014 481 S CA 0.601 58.823 58.200 0.037 0.000 0.980 481 S CB -0.474 62.738 63.200 0.019 0.000 0.775 481 S HN 0.129 nan 8.310 nan 0.000 0.499 482 R N 0.483 121.020 120.500 0.061 0.000 2.808 482 R HA 0.632 4.978 4.340 0.009 0.000 0.272 482 R C -3.118 173.243 176.300 0.102 0.000 0.995 482 R CA -2.153 53.964 56.100 0.028 0.000 0.917 482 R CB 1.676 31.891 30.300 -0.143 0.000 1.217 482 R HN 0.143 nan 8.270 nan 0.000 0.471 483 P HA 0.309 nan 4.420 nan 0.000 0.282 483 P C -0.935 176.464 177.300 0.165 0.000 1.259 483 P CA -0.574 62.584 63.100 0.098 0.000 0.826 483 P CB 1.070 32.814 31.700 0.073 0.000 1.064 484 V N 1.532 121.554 119.914 0.181 0.000 2.919 484 V HA 0.616 4.742 4.120 0.009 0.000 0.316 484 V C 0.079 176.334 176.094 0.268 0.000 1.077 484 V CA -0.423 62.032 62.300 0.258 0.000 0.977 484 V CB 1.592 33.537 31.823 0.203 0.000 1.039 484 V HN 0.711 nan 8.190 nan 0.000 0.441 485 Q N 2.375 122.334 119.800 0.265 0.000 2.435 485 Q HA 0.693 5.038 4.340 0.009 0.000 0.282 485 Q C -2.280 173.872 176.000 0.253 0.000 1.020 485 Q CA -0.819 55.107 55.803 0.205 0.000 0.820 485 Q CB 2.761 31.566 28.738 0.111 0.000 1.436 485 Q HN 0.715 nan 8.270 nan 0.000 0.395 486 Y N 0.746 121.054 120.300 0.013 0.000 2.474 486 Y HA 0.220 4.775 4.550 0.008 0.000 0.326 486 Y C -0.592 175.252 175.900 -0.093 0.000 1.160 486 Y CA -0.689 57.389 58.100 -0.037 0.000 1.056 486 Y CB 2.203 40.632 38.460 -0.052 0.000 1.330 486 Y HN 0.929 nan 8.280 nan 0.000 0.447 487 E N 3.355 123.115 120.200 -0.733 0.000 2.276 487 E HA 0.142 4.498 4.350 0.009 0.000 0.193 487 E C 0.678 176.843 176.600 -0.726 0.000 0.983 487 E CA 0.694 56.745 56.400 -0.581 0.000 0.861 487 E CB 0.216 29.702 29.700 -0.356 0.000 0.817 487 E HN 0.914 nan 8.360 nan 0.000 0.485 488 G N -0.058 107.941 108.800 -1.334 0.000 2.568 488 G HA2 0.185 4.151 3.960 0.009 0.000 0.231 488 G HA3 0.185 4.151 3.960 0.009 0.000 0.231 488 G C 0.835 175.528 174.900 -0.345 0.000 1.261 488 G CA 0.362 45.006 45.100 -0.760 0.000 0.855 488 G HN 0.373 nan 8.290 nan 0.000 0.576 489 G N -0.585 108.139 108.800 -0.128 0.000 2.153 489 G HA2 0.218 4.183 3.960 0.009 0.000 0.252 489 G HA3 0.218 4.183 3.960 0.009 0.000 0.252 489 G C 1.295 176.186 174.900 -0.016 0.000 0.994 489 G CA 1.044 46.139 45.100 -0.008 0.000 0.698 489 G HN 2.636 nan 8.290 nan 0.000 0.521 490 G N -1.692 107.091 108.800 -0.028 0.000 2.227 490 G HA2 0.450 4.415 3.960 0.009 0.000 0.168 490 G HA3 0.450 4.415 3.960 0.009 0.000 0.168 490 G C 0.978 175.989 174.900 0.185 0.000 1.006 490 G CA 1.316 46.458 45.100 0.070 0.000 0.684 490 G HN 2.325 nan 8.290 nan 0.000 0.489 491 A N -0.219 122.609 122.820 0.013 0.000 3.930 491 A HA -0.196 4.130 4.320 0.009 0.000 0.267 491 A C 1.290 178.814 177.584 -0.100 0.000 0.971 491 A CA 2.705 54.694 52.037 -0.081 0.000 1.197 491 A CB -1.812 17.099 19.000 -0.149 0.000 1.073 491 A HN 1.954 nan 8.150 nan 0.000 0.871 492 D N -0.354 120.079 120.400 0.055 0.000 2.503 492 D HA 0.286 4.931 4.640 0.009 0.000 0.218 492 D C 0.693 176.983 176.300 -0.017 0.000 1.183 492 D CA 0.898 54.932 54.000 0.057 0.000 0.827 492 D CB -1.258 39.719 40.800 0.295 0.000 1.034 492 D HN 0.778 nan 8.370 nan 0.000 0.510 493 T N -1.415 113.068 114.554 -0.118 0.000 2.701 493 T HA -0.034 4.322 4.350 0.009 0.000 0.354 493 T C 1.621 176.175 174.700 -0.244 0.000 1.085 493 T CA 0.730 62.671 62.100 -0.266 0.000 1.094 493 T CB 0.381 68.876 68.868 -0.621 0.000 1.010 493 T HN 0.251 nan 8.240 nan 0.000 0.548 494 T N -2.990 111.400 114.554 -0.273 0.000 3.160 494 T HA 0.238 4.594 4.350 0.009 0.000 0.257 494 T C 1.499 175.929 174.700 -0.450 0.000 1.147 494 T CA 0.185 62.148 62.100 -0.229 0.000 1.064 494 T CB -0.372 68.427 68.868 -0.114 0.000 0.949 494 T HN 0.831 nan 8.240 nan 0.000 0.526 495 A N 0.459 122.998 122.820 -0.469 0.000 2.379 495 A HA 0.497 4.823 4.320 0.009 0.000 0.236 495 A C 0.898 178.292 177.584 -0.316 0.000 1.272 495 A CA -0.163 51.520 52.037 -0.589 0.000 0.886 495 A CB -0.041 18.872 19.000 -0.144 0.000 0.962 495 A HN 0.479 nan 8.150 nan 0.000 0.504 496 T N -1.818 112.624 114.554 -0.186 0.000 2.909 496 T HA 0.423 4.778 4.350 0.009 0.000 0.299 496 T C -0.734 174.027 174.700 0.102 0.000 1.073 496 T CA -0.426 61.709 62.100 0.058 0.000 0.999 496 T CB 1.441 70.308 68.868 -0.002 0.000 1.098 496 T HN 0.024 nan 8.240 nan 0.000 0.477 497 D N 2.443 122.955 120.400 0.187 0.000 2.349 497 D HA 0.376 5.021 4.640 0.009 0.000 0.214 497 D C 0.048 176.382 176.300 0.056 0.000 1.063 497 D CA 0.486 54.576 54.000 0.150 0.000 0.847 497 D CB 0.353 41.255 40.800 0.169 0.000 0.933 497 D HN 0.498 nan 8.370 nan 0.000 0.513 498 I N 0.475 121.054 120.570 0.015 0.000 2.802 498 I HA 0.262 4.437 4.170 0.009 0.000 0.298 498 I C -0.672 175.372 176.117 -0.121 0.000 1.176 498 I CA -0.840 60.431 61.300 -0.048 0.000 1.025 498 I CB 3.046 41.028 38.000 -0.030 0.000 1.243 498 I HN -0.338 nan 8.210 nan 0.000 0.424 499 I N 4.889 125.333 120.570 -0.210 0.000 2.325 499 I HA 0.234 4.409 4.170 0.009 0.000 0.291 499 I C -0.133 175.771 176.117 -0.356 0.000 1.019 499 I CA -0.382 60.698 61.300 -0.367 0.000 1.302 499 I CB 0.586 38.221 38.000 -0.608 0.000 1.401 499 I HN 0.635 nan 8.210 nan 0.000 0.485 500 C N 4.810 123.924 119.300 -0.310 0.000 3.401 500 C HA 0.472 4.938 4.460 0.009 0.000 0.204 500 C C -2.283 172.584 174.990 -0.205 0.000 1.522 500 C CA -2.168 56.720 59.018 -0.216 0.000 1.409 500 C CB -0.835 26.831 27.740 -0.123 0.000 1.967 500 C HN 0.415 nan 8.230 nan 0.000 0.496 501 P HA 0.416 nan 4.420 nan 0.000 0.274 501 P C -0.498 176.759 177.300 -0.072 0.000 1.256 501 P CA 0.116 63.143 63.100 -0.122 0.000 0.795 501 P CB 0.750 32.423 31.700 -0.045 0.000 1.038 502 M N -0.550 119.040 119.600 -0.017 0.000 2.243 502 M HA 0.483 4.969 4.480 0.009 0.000 0.324 502 M C -0.835 175.485 176.300 0.032 0.000 1.031 502 M CA -0.697 54.499 55.300 -0.172 0.000 0.949 502 M CB 1.344 33.865 32.600 -0.131 0.000 1.615 502 M HN 0.303 nan 8.290 nan 0.000 0.430 503 Y N -0.599 119.849 120.300 0.247 0.000 4.272 503 Y HA -0.188 4.368 4.550 0.010 0.000 0.232 503 Y C 0.455 176.504 175.900 0.248 0.000 1.149 503 Y CA 0.433 58.679 58.100 0.244 0.000 1.961 503 Y CB -2.306 36.272 38.460 0.197 0.000 1.611 503 Y HN 0.974 nan 8.280 nan 0.000 0.682 504 A N 1.010 124.018 122.820 0.315 0.000 2.407 504 A HA 0.635 4.961 4.320 0.009 0.000 0.248 504 A C 0.676 178.448 177.584 0.313 0.000 1.082 504 A CA -0.470 51.751 52.037 0.306 0.000 0.785 504 A CB 0.460 19.678 19.000 0.365 0.000 1.020 504 A HN 0.400 nan 8.150 nan 0.000 0.489 505 R N 1.391 122.008 120.500 0.195 0.000 2.532 505 R HA 0.359 4.705 4.340 0.009 0.000 0.272 505 R C 1.026 177.319 176.300 -0.011 0.000 1.032 505 R CA -0.787 55.383 56.100 0.116 0.000 1.089 505 R CB 1.011 31.344 30.300 0.056 0.000 1.098 505 R HN 0.506 nan 8.270 nan 0.000 0.526 506 V N 1.047 120.804 119.914 -0.263 0.000 2.220 506 V HA -0.275 3.851 4.120 0.009 0.000 0.246 506 V C 1.278 177.268 176.094 -0.173 0.000 1.049 506 V CA 1.922 64.023 62.300 -0.332 0.000 1.003 506 V CB -0.246 31.265 31.823 -0.520 0.000 0.634 506 V HN 0.769 nan 8.190 nan 0.000 0.444 507 D N -0.731 119.579 120.400 -0.149 0.000 2.338 507 D HA 0.062 4.707 4.640 0.009 0.000 0.208 507 D C 0.789 177.061 176.300 -0.048 0.000 0.997 507 D CA 0.246 54.190 54.000 -0.094 0.000 0.880 507 D CB 0.313 41.057 40.800 -0.093 0.000 0.980 507 D HN 0.736 nan 8.370 nan 0.000 0.509 508 E N 1.039 121.216 120.200 -0.037 0.000 2.191 508 E HA 0.341 4.697 4.350 0.009 0.000 0.278 508 E C -0.727 175.865 176.600 -0.013 0.000 0.972 508 E CA -0.837 55.550 56.400 -0.021 0.000 0.804 508 E CB 1.597 31.281 29.700 -0.026 0.000 1.110 508 E HN -0.249 nan 8.360 nan 0.000 0.394 509 D N 2.283 122.675 120.400 -0.013 0.000 2.329 509 D HA 0.109 4.755 4.640 0.009 0.000 0.246 509 D C -0.366 175.824 176.300 -0.183 0.000 1.111 509 D CA -0.086 53.893 54.000 -0.034 0.000 0.941 509 D CB 1.079 41.917 40.800 0.064 0.000 1.169 509 D HN 0.455 nan 8.370 nan 0.000 0.441 510 Q N 0.735 120.295 119.800 -0.401 0.000 3.300 510 Q HA 0.240 4.586 4.340 0.009 0.000 0.271 510 Q C -2.434 172.957 176.000 -1.016 0.000 0.926 510 Q CA -1.465 53.900 55.803 -0.730 0.000 0.788 510 Q CB 2.071 30.289 28.738 -0.867 0.000 1.385 510 Q HN 0.128 nan 8.270 nan 0.000 0.424 511 P HA 0.075 nan 4.420 nan 0.000 0.268 511 P C -0.862 176.214 177.300 -0.373 0.000 1.541 511 P CA 0.120 62.875 63.100 -0.574 0.000 1.093 511 P CB -0.378 31.166 31.700 -0.260 0.000 1.551 512 F N 4.664 124.465 119.950 -0.247 0.000 2.384 512 F HA 0.374 4.907 4.527 0.009 0.000 0.338 512 F C -1.335 174.371 175.800 -0.157 0.000 1.103 512 F CA -2.918 54.983 58.000 -0.164 0.000 1.157 512 F CB 0.376 39.289 39.000 -0.145 0.000 1.167 512 F HN 0.137 nan 8.300 nan 0.000 0.529 513 P HA 0.056 nan 4.420 nan 0.000 0.265 513 P C 0.339 177.652 177.300 0.022 0.000 1.193 513 P CA 0.788 63.908 63.100 0.034 0.000 0.765 513 P CB 1.099 32.812 31.700 0.021 0.000 0.823 514 A N 2.739 125.562 122.820 0.006 0.000 3.870 514 A HA -0.233 4.093 4.320 0.009 0.000 0.246 514 A C 0.616 178.198 177.584 -0.003 0.000 0.669 514 A CA 1.914 53.955 52.037 0.007 0.000 1.221 514 A CB -2.624 16.380 19.000 0.007 0.000 1.199 514 A HN 0.786 nan 8.150 nan 0.000 0.685 515 V N -3.405 116.506 119.914 -0.006 0.000 2.564 515 V HA 0.607 4.733 4.120 0.009 0.000 0.259 515 V C -2.545 173.552 176.094 0.004 0.000 0.936 515 V CA -1.096 61.196 62.300 -0.013 0.000 0.867 515 V CB 1.137 32.968 31.823 0.012 0.000 1.076 515 V HN 0.444 nan 8.190 nan 0.000 0.476 516 P HA 0.440 nan 4.420 nan 0.000 0.277 516 P C -0.778 176.051 177.300 -0.786 0.000 1.271 516 P CA -0.340 62.376 63.100 -0.640 0.000 0.795 516 P CB 1.363 32.255 31.700 -1.348 0.000 1.101 517 K N 0.810 120.692 120.400 -0.863 0.000 2.624 517 K HA 0.196 4.521 4.320 0.009 0.000 0.200 517 K C -0.551 175.748 176.600 -0.502 0.000 1.036 517 K CA -0.259 55.705 56.287 -0.538 0.000 1.029 517 K CB 0.280 32.690 32.500 -0.150 0.000 1.317 517 K HN 0.481 nan 8.250 nan 0.000 0.555 518 W N 1.504 122.520 121.300 -0.473 0.000 2.209 518 W HA -0.035 4.631 4.660 0.011 0.000 0.344 518 W C 1.398 177.895 176.519 -0.038 0.000 1.285 518 W CA -0.417 56.730 57.345 -0.330 0.000 1.267 518 W CB 0.313 29.436 29.460 -0.560 0.000 1.167 518 W HN 0.358 nan 8.180 nan 0.000 0.574 519 S N 4.501 120.337 115.700 0.225 0.000 2.593 519 S HA -0.118 4.358 4.470 0.009 0.000 0.300 519 S C 1.409 176.131 174.600 0.202 0.000 1.267 519 S CA -0.068 58.211 58.200 0.132 0.000 1.065 519 S CB 0.166 63.395 63.200 0.048 0.000 0.807 519 S HN 0.529 nan 8.310 nan 0.000 0.499 520 I N 3.114 123.779 120.570 0.160 0.000 2.194 520 I HA -0.215 3.961 4.170 0.009 0.000 0.246 520 I C 1.787 177.930 176.117 0.045 0.000 1.093 520 I CA 1.591 62.993 61.300 0.170 0.000 1.355 520 I CB -0.687 37.368 38.000 0.092 0.000 1.046 520 I HN 0.670 nan 8.210 nan 0.000 0.413 521 K N 1.484 121.802 120.400 -0.137 0.000 2.283 521 K HA -0.144 4.182 4.320 0.009 0.000 0.202 521 K C 2.094 178.660 176.600 -0.056 0.000 1.048 521 K CA 1.122 57.228 56.287 -0.300 0.000 0.948 521 K CB -0.291 31.904 32.500 -0.508 0.000 0.742 521 K HN 0.496 nan 8.250 nan 0.000 0.458 522 K N 0.518 120.929 120.400 0.018 0.000 2.137 522 K HA -0.112 4.213 4.320 0.009 0.000 0.202 522 K C 1.767 178.380 176.600 0.021 0.000 1.052 522 K CA 0.350 56.639 56.287 0.003 0.000 0.961 522 K CB 0.000 32.483 32.500 -0.029 0.000 0.741 522 K HN 0.184 nan 8.250 nan 0.000 0.452 523 W N 2.265 123.536 121.300 -0.049 0.000 2.338 523 W HA -0.195 4.469 4.660 0.006 0.000 0.304 523 W C 1.641 178.129 176.519 -0.052 0.000 1.212 523 W CA 1.161 58.491 57.345 -0.025 0.000 1.264 523 W CB -0.579 28.968 29.460 0.143 0.000 1.142 523 W HN 0.054 nan 8.180 nan 0.000 0.512 524 L N 0.805 122.172 121.223 0.240 0.000 2.187 524 L HA -0.251 4.095 4.340 0.009 0.000 0.213 524 L C 2.225 179.149 176.870 0.089 0.000 1.100 524 L CA 1.917 56.832 54.840 0.126 0.000 0.765 524 L CB -0.909 41.204 42.059 0.090 0.000 0.904 524 L HN -0.101 nan 8.230 nan 0.000 0.437 525 S N -1.760 113.975 115.700 0.058 0.000 2.540 525 S HA 0.215 4.691 4.470 0.009 0.000 0.218 525 S C 0.506 175.086 174.600 -0.034 0.000 0.977 525 S CA -0.554 57.655 58.200 0.014 0.000 0.918 525 S CB -0.067 63.141 63.200 0.013 0.000 0.806 525 S HN -0.013 nan 8.310 nan 0.000 0.496 526 L N 3.957 125.146 121.223 -0.057 0.000 2.615 526 L HA 0.206 4.552 4.340 0.009 0.000 0.284 526 L C -2.222 174.609 176.870 -0.063 0.000 1.237 526 L CA -1.592 53.164 54.840 -0.139 0.000 0.905 526 L CB -0.667 41.290 42.059 -0.169 0.000 1.149 526 L HN 0.071 nan 8.230 nan 0.000 0.499 527 P HA 0.140 nan 4.420 nan 0.000 0.263 527 P C 0.817 178.109 177.300 -0.014 0.000 1.175 527 P CA 1.099 64.174 63.100 -0.041 0.000 0.761 527 P CB 0.543 32.215 31.700 -0.046 0.000 0.794 528 G N 1.757 110.557 108.800 0.001 0.000 2.659 528 G HA2 -0.238 3.727 3.960 0.009 0.000 0.212 528 G HA3 -0.238 3.727 3.960 0.009 0.000 0.212 528 G C 0.230 175.146 174.900 0.027 0.000 1.226 528 G CA -0.077 45.032 45.100 0.016 0.000 0.739 528 G HN 0.636 nan 8.290 nan 0.000 0.528 529 E N 1.955 122.179 120.200 0.041 0.000 2.608 529 E HA 0.389 4.745 4.350 0.009 0.000 0.259 529 E C 1.351 177.974 176.600 0.039 0.000 0.951 529 E CA 1.443 57.877 56.400 0.057 0.000 0.945 529 E CB 0.541 30.304 29.700 0.106 0.000 0.916 529 E HN 0.982 nan 8.360 nan 0.000 0.477 530 T N 0.708 115.281 114.554 0.032 0.000 3.412 530 T HA 0.276 4.632 4.350 0.009 0.000 0.305 530 T C 0.476 175.182 174.700 0.009 0.000 0.892 530 T CA -0.523 61.589 62.100 0.020 0.000 0.936 530 T CB 0.084 68.964 68.868 0.020 0.000 1.202 530 T HN 0.237 nan 8.240 nan 0.000 0.621 531 R N 2.316 122.816 120.500 0.000 0.000 2.528 531 R HA 0.548 4.893 4.340 0.009 0.000 0.271 531 R C -2.514 173.759 176.300 -0.046 0.000 1.056 531 R CA -2.096 53.993 56.100 -0.018 0.000 1.117 531 R CB 0.533 30.817 30.300 -0.027 0.000 1.085 531 R HN 0.223 nan 8.270 nan 0.000 0.530 532 P HA 0.014 nan 4.420 nan 0.000 0.272 532 P C -1.233 175.986 177.300 -0.135 0.000 1.230 532 P CA -0.244 62.805 63.100 -0.084 0.000 0.788 532 P CB 0.602 32.254 31.700 -0.080 0.000 0.949 533 L N 3.025 124.146 121.223 -0.169 0.000 2.349 533 L HA 0.550 4.896 4.340 0.009 0.000 0.278 533 L C -1.128 175.582 176.870 -0.267 0.000 0.996 533 L CA -0.730 53.969 54.840 -0.234 0.000 0.825 533 L CB 0.027 41.931 42.059 -0.258 0.000 1.243 533 L HN 0.254 nan 8.230 nan 0.000 0.412 534 I N 5.945 126.368 120.570 -0.244 0.000 2.468 534 I HA 0.260 4.436 4.170 0.009 0.000 0.284 534 I C -0.571 175.443 176.117 -0.171 0.000 1.038 534 I CA -0.704 60.446 61.300 -0.250 0.000 1.083 534 I CB 1.928 39.848 38.000 -0.133 0.000 1.223 534 I HN 0.484 nan 8.210 nan 0.000 0.443 535 L N 5.894 126.977 121.223 -0.233 0.000 2.615 535 L HA -0.049 4.296 4.340 0.009 0.000 0.271 535 L C 1.537 178.465 176.870 0.097 0.000 1.183 535 L CA 0.094 54.858 54.840 -0.126 0.000 0.933 535 L CB 0.439 42.362 42.059 -0.226 0.000 1.199 535 L HN 0.871 nan 8.230 nan 0.000 0.487 536 C N 0.884 120.226 119.300 0.070 0.000 2.464 536 C HA 0.139 4.605 4.460 0.009 0.000 0.278 536 C C 0.718 175.834 174.990 0.209 0.000 1.375 536 C CA -0.118 58.982 59.018 0.137 0.000 1.761 536 C CB -0.898 26.840 27.740 -0.003 0.000 1.944 536 C HN 0.824 nan 8.230 nan 0.000 0.509 537 E N -0.936 119.317 120.200 0.089 0.000 2.321 537 E HA 0.631 4.986 4.350 0.009 0.000 0.278 537 E C -1.351 175.147 176.600 -0.171 0.000 0.902 537 E CA -0.419 56.006 56.400 0.041 0.000 0.758 537 E CB 2.050 31.643 29.700 -0.178 0.000 1.213 537 E HN 0.663 nan 8.360 nan 0.000 0.426 538 Y N -0.721 119.452 120.300 -0.212 0.000 2.624 538 Y HA 0.633 5.189 4.550 0.011 0.000 0.334 538 Y C -0.882 175.084 175.900 0.111 0.000 1.155 538 Y CA -1.041 56.938 58.100 -0.202 0.000 1.046 538 Y CB 1.012 39.267 38.460 -0.342 0.000 1.316 538 Y HN 0.693 nan 8.280 nan 0.000 0.457 539 A N 2.404 125.248 122.820 0.039 0.000 1.936 539 A HA -0.267 4.059 4.320 0.009 0.000 0.254 539 A C -0.522 177.204 177.584 0.237 0.000 1.352 539 A CA 0.981 53.069 52.037 0.086 0.000 0.724 539 A CB -2.235 16.714 19.000 -0.085 0.000 1.196 539 A HN 1.037 nan 8.150 nan 0.000 0.283 540 H N 1.600 120.827 119.070 0.262 0.000 3.325 540 H HA 0.199 4.761 4.556 0.009 0.000 0.242 540 H C 1.547 176.953 175.328 0.130 0.000 1.117 540 H CA 0.531 56.745 56.048 0.277 0.000 1.470 540 H CB 0.258 30.122 29.762 0.170 0.000 1.573 540 H HN 0.865 nan 8.280 nan 0.000 0.501 541 A N 5.486 128.280 122.820 -0.043 0.000 2.276 541 A HA -0.105 4.221 4.320 0.009 0.000 0.205 541 A C 1.332 178.808 177.584 -0.180 0.000 1.234 541 A CA 0.007 51.957 52.037 -0.144 0.000 0.797 541 A CB -0.559 18.303 19.000 -0.230 0.000 0.769 541 A HN 0.759 nan 8.150 nan 0.000 0.491 542 M N 1.112 120.602 119.600 -0.183 0.000 2.513 542 M HA 0.281 4.767 4.480 0.009 0.000 0.341 542 M C 1.260 177.508 176.300 -0.087 0.000 1.689 542 M CA 1.201 56.432 55.300 -0.115 0.000 1.202 542 M CB -0.781 31.857 32.600 0.063 0.000 1.996 542 M HN 0.725 nan 8.290 nan 0.000 0.458 543 G N 4.589 113.330 108.800 -0.100 0.000 2.591 543 G HA2 -0.354 3.611 3.960 0.009 0.000 0.298 543 G HA3 -0.354 3.611 3.960 0.009 0.000 0.298 543 G C -0.058 174.593 174.900 -0.415 0.000 1.195 543 G CA 0.273 45.245 45.100 -0.213 0.000 0.989 543 G HN 0.792 nan 8.290 nan 0.000 0.551 544 N N 1.567 119.853 118.700 -0.690 0.000 2.555 544 N HA 0.573 5.319 4.740 0.009 0.000 0.244 544 N C -0.157 175.171 175.510 -0.304 0.000 1.114 544 N CA 0.917 53.588 53.050 -0.631 0.000 0.963 544 N CB 0.582 38.602 38.487 -0.778 0.000 1.276 544 N HN 0.666 nan 8.380 nan 0.000 0.510 545 S N 1.666 117.264 115.700 -0.170 0.000 2.998 545 S HA 0.591 5.066 4.470 0.009 0.000 0.321 545 S C -0.183 174.388 174.600 -0.048 0.000 1.171 545 S CA -0.438 57.710 58.200 -0.086 0.000 0.882 545 S CB 0.367 63.544 63.200 -0.038 0.000 1.301 545 S HN 0.463 nan 8.310 nan 0.000 0.629 546 L N 0.198 121.418 121.223 -0.005 0.000 4.447 546 L HA -0.065 4.280 4.340 0.009 0.000 0.400 546 L C 0.271 177.203 176.870 0.103 0.000 1.110 546 L CA 0.810 55.654 54.840 0.007 0.000 1.010 546 L CB -1.580 40.390 42.059 -0.148 0.000 2.154 546 L HN 0.673 nan 8.230 nan 0.000 0.685 547 G N -1.144 107.709 108.800 0.089 0.000 2.390 547 G HA2 0.520 4.486 3.960 0.009 0.000 0.270 547 G HA3 0.520 4.486 3.960 0.009 0.000 0.270 547 G C 1.185 176.197 174.900 0.186 0.000 1.211 547 G CA 0.060 45.208 45.100 0.081 0.000 0.842 547 G HN 1.290 nan 8.290 nan 0.000 0.519 548 G N 1.452 110.375 108.800 0.205 0.000 2.217 548 G HA2 -0.325 3.641 3.960 0.009 0.000 0.246 548 G HA3 -0.325 3.641 3.960 0.009 0.000 0.246 548 G C 1.161 176.270 174.900 0.350 0.000 0.990 548 G CA 0.798 46.064 45.100 0.277 0.000 0.627 548 G HN 0.822 nan 8.290 nan 0.000 0.522 549 F N 2.146 122.242 119.950 0.243 0.000 2.085 549 F HA -0.053 4.480 4.527 0.010 0.000 0.299 549 F C 2.762 178.780 175.800 0.365 0.000 1.096 549 F CA 2.979 61.174 58.000 0.325 0.000 1.227 549 F CB -0.592 38.544 39.000 0.228 0.000 0.983 549 F HN 0.425 nan 8.300 nan 0.000 0.482 550 A N -0.498 122.499 122.820 0.296 0.000 1.933 550 A HA -0.232 4.094 4.320 0.009 0.000 0.218 550 A C 2.302 179.896 177.584 0.018 0.000 1.175 550 A CA 1.756 53.886 52.037 0.156 0.000 0.628 550 A CB -0.774 18.326 19.000 0.167 0.000 0.814 550 A HN 0.447 nan 8.150 nan 0.000 0.444 551 K N -1.508 118.894 120.400 0.003 0.000 2.044 551 K HA -0.227 4.098 4.320 0.009 0.000 0.210 551 K C 1.819 178.203 176.600 -0.360 0.000 1.049 551 K CA 2.156 58.360 56.287 -0.139 0.000 0.927 551 K CB -0.375 32.035 32.500 -0.149 0.000 0.713 551 K HN 0.649 nan 8.250 nan 0.000 0.443 552 Y N -0.874 119.180 120.300 -0.412 0.000 2.097 552 Y HA -0.275 4.281 4.550 0.009 0.000 0.282 552 Y C 2.148 177.144 175.900 -1.507 0.000 1.152 552 Y CA 1.595 59.127 58.100 -0.948 0.000 1.136 552 Y CB -0.432 37.479 38.460 -0.915 0.000 0.975 552 Y HN 0.207 nan 8.280 nan 0.000 0.498 553 W N 0.438 121.310 121.300 -0.713 0.000 2.341 553 W HA -0.233 4.433 4.660 0.011 0.000 0.283 553 W C 2.618 178.936 176.519 -0.335 0.000 1.215 553 W CA 1.866 58.877 57.345 -0.556 0.000 1.211 553 W CB -0.399 28.822 29.460 -0.398 0.000 1.131 553 W HN 0.191 nan 8.180 nan 0.000 0.552 554 Q N 0.202 119.881 119.800 -0.202 0.000 2.137 554 Q HA -0.108 4.238 4.340 0.009 0.000 0.198 554 Q C 2.242 178.188 176.000 -0.090 0.000 0.960 554 Q CA 1.529 57.279 55.803 -0.089 0.000 0.847 554 Q CB -0.316 28.397 28.738 -0.042 0.000 0.915 554 Q HN 0.209 nan 8.270 nan 0.000 0.448 555 A N 0.779 123.468 122.820 -0.220 0.000 1.902 555 A HA -0.133 4.192 4.320 0.009 0.000 0.217 555 A C 1.922 179.575 177.584 0.117 0.000 1.181 555 A CA 1.072 53.059 52.037 -0.082 0.000 0.623 555 A CB -1.117 17.720 19.000 -0.270 0.000 0.818 555 A HN 0.531 nan 8.150 nan 0.000 0.443 556 F N -0.239 119.560 119.950 -0.251 0.000 2.063 556 F HA -0.299 4.234 4.527 0.010 0.000 0.298 556 F C 2.808 178.523 175.800 -0.141 0.000 1.109 556 F CA 1.453 59.265 58.000 -0.312 0.000 1.212 556 F CB -0.259 38.346 39.000 -0.658 0.000 0.973 556 F HN 0.207 nan 8.300 nan 0.000 0.480 557 R N -0.151 120.436 120.500 0.144 0.000 2.115 557 R HA -0.162 4.184 4.340 0.009 0.000 0.230 557 R C 2.072 178.417 176.300 0.074 0.000 1.111 557 R CA 1.000 57.156 56.100 0.094 0.000 0.976 557 R CB -0.364 29.988 30.300 0.086 0.000 0.870 557 R HN 0.447 nan 8.270 nan 0.000 0.445 558 Q N -0.546 119.326 119.800 0.121 0.000 2.297 558 Q HA 0.011 4.357 4.340 0.009 0.000 0.203 558 Q C -0.443 175.558 176.000 0.002 0.000 0.931 558 Q CA 0.634 56.473 55.803 0.059 0.000 0.885 558 Q CB 0.576 29.380 28.738 0.110 0.000 0.991 558 Q HN 0.188 nan 8.270 nan 0.000 0.498 559 Y N 0.094 120.385 120.300 -0.016 0.000 2.353 559 Y HA 0.230 4.785 4.550 0.008 0.000 0.340 559 Y C -1.662 174.212 175.900 -0.044 0.000 0.972 559 Y CA -2.916 55.169 58.100 -0.025 0.000 1.157 559 Y CB 0.996 39.446 38.460 -0.017 0.000 1.157 559 Y HN 0.049 nan 8.280 nan 0.000 0.495 560 P HA -0.204 nan 4.420 nan 0.000 0.215 560 P C 1.163 178.454 177.300 -0.014 0.000 1.163 560 P CA 1.865 64.963 63.100 -0.003 0.000 0.894 560 P CB 0.315 32.005 31.700 -0.018 0.000 0.791 561 R N -0.971 119.538 120.500 0.015 0.000 2.357 561 R HA 0.034 4.380 4.340 0.009 0.000 0.202 561 R C 0.470 176.731 176.300 -0.065 0.000 1.047 561 R CA 0.317 56.407 56.100 -0.017 0.000 1.034 561 R CB -0.629 29.673 30.300 0.004 0.000 0.875 561 R HN 0.298 nan 8.270 nan 0.000 0.473 562 L N 1.947 123.133 121.223 -0.062 0.000 2.288 562 L HA 0.163 4.508 4.340 0.009 0.000 0.283 562 L C 0.617 177.263 176.870 -0.372 0.000 1.072 562 L CA -0.113 54.615 54.840 -0.187 0.000 0.862 562 L CB 1.260 43.279 42.059 -0.066 0.000 1.245 562 L HN -0.021 nan 8.230 nan 0.000 0.432 563 Q N 2.475 122.021 119.800 -0.423 0.000 2.253 563 Q HA 0.287 4.633 4.340 0.009 0.000 0.210 563 Q C 1.099 176.665 176.000 -0.724 0.000 0.907 563 Q CA 0.256 55.784 55.803 -0.458 0.000 0.948 563 Q CB 0.442 29.020 28.738 -0.268 0.000 1.033 563 Q HN 0.912 nan 8.270 nan 0.000 0.471 564 G N -0.336 107.621 108.800 -1.404 0.000 2.466 564 G HA2 0.096 4.061 3.960 0.009 0.000 0.218 564 G HA3 0.096 4.061 3.960 0.009 0.000 0.218 564 G C -0.132 173.965 174.900 -1.338 0.000 1.237 564 G CA -0.742 43.209 45.100 -1.915 0.000 0.954 564 G HN 0.764 nan 8.290 nan 0.000 0.580 565 G N -2.393 105.921 108.800 -0.810 0.000 2.322 565 G HA2 0.613 4.579 3.960 0.009 0.000 0.295 565 G HA3 0.613 4.579 3.960 0.009 0.000 0.295 565 G C -1.590 173.173 174.900 -0.228 0.000 1.369 565 G CA -0.198 44.589 45.100 -0.522 0.000 0.821 565 G HN 1.173 nan 8.290 nan 0.000 0.536 566 F N 0.662 120.817 119.950 0.342 0.000 2.388 566 F HA 0.537 5.069 4.527 0.008 0.000 0.358 566 F C 0.907 177.042 175.800 0.558 0.000 1.122 566 F CA -0.717 57.559 58.000 0.460 0.000 1.056 566 F CB 1.938 41.098 39.000 0.266 0.000 1.155 566 F HN 0.233 nan 8.300 nan 0.000 0.461 567 V N 3.491 123.727 119.914 0.536 0.000 2.843 567 V HA -0.107 4.019 4.120 0.009 0.000 0.305 567 V C -0.291 175.971 176.094 0.280 0.000 1.065 567 V CA -0.365 62.044 62.300 0.181 0.000 1.116 567 V CB 0.907 32.825 31.823 0.157 0.000 0.968 567 V HN 0.768 nan 8.190 nan 0.000 0.487 568 W N 6.539 127.908 121.300 0.113 0.000 2.299 568 W HA 0.444 5.110 4.660 0.009 0.000 0.319 568 W C -0.798 175.736 176.519 0.025 0.000 1.008 568 W CA -0.571 56.874 57.345 0.168 0.000 1.384 568 W CB 1.231 30.938 29.460 0.412 0.000 1.220 568 W HN 0.932 nan 8.180 nan 0.000 0.402 569 D N 2.608 122.743 120.400 -0.442 0.000 2.946 569 D HA 0.051 4.697 4.640 0.009 0.000 0.337 569 D C 0.438 176.534 176.300 -0.340 0.000 1.332 569 D CA -0.500 53.127 54.000 -0.621 0.000 0.935 569 D CB 0.140 39.980 40.800 -1.600 0.000 1.440 569 D HN 0.378 nan 8.370 nan 0.000 0.540 570 W N 0.725 121.708 121.300 -0.529 0.000 2.418 570 W HA 0.130 4.796 4.660 0.010 0.000 0.319 570 W C -0.121 176.164 176.519 -0.390 0.000 1.183 570 W CA 1.177 58.267 57.345 -0.424 0.000 1.327 570 W CB 0.160 29.400 29.460 -0.367 0.000 1.163 570 W HN 0.181 nan 8.180 nan 0.000 0.479 571 V N 1.596 121.314 119.914 -0.327 0.000 2.881 571 V HA 0.241 4.367 4.120 0.009 0.000 0.316 571 V C -0.685 175.185 176.094 -0.373 0.000 1.070 571 V CA -0.936 61.114 62.300 -0.417 0.000 0.976 571 V CB 1.334 33.054 31.823 -0.172 0.000 1.038 571 V HN -0.129 nan 8.190 nan 0.000 0.446 572 D N 1.865 122.062 120.400 -0.338 0.000 2.348 572 D HA 0.169 4.814 4.640 0.009 0.000 0.253 572 D C 0.450 176.559 176.300 -0.320 0.000 1.161 572 D CA 0.251 54.093 54.000 -0.262 0.000 0.876 572 D CB 1.309 42.040 40.800 -0.115 0.000 1.160 572 D HN 0.545 nan 8.370 nan 0.000 0.459 573 Q N 1.139 120.666 119.800 -0.454 0.000 2.292 573 Q HA 0.051 4.396 4.340 0.009 0.000 0.247 573 Q C 0.028 175.944 176.000 -0.139 0.000 0.911 573 Q CA -0.154 55.157 55.803 -0.820 0.000 0.948 573 Q CB 0.010 28.370 28.738 -0.630 0.000 1.093 573 Q HN 0.402 nan 8.270 nan 0.000 0.428 574 S N -0.537 115.212 115.700 0.082 0.000 2.601 574 S HA 0.509 4.985 4.470 0.009 0.000 0.271 574 S C -0.085 174.737 174.600 0.369 0.000 1.305 574 S CA -0.681 57.714 58.200 0.324 0.000 1.022 574 S CB 1.394 64.761 63.200 0.279 0.000 0.940 574 S HN 0.297 nan 8.310 nan 0.000 0.525 575 L N 2.143 123.516 121.223 0.250 0.000 2.365 575 L HA 0.519 4.864 4.340 0.009 0.000 0.273 575 L C -0.264 176.541 176.870 -0.107 0.000 1.000 575 L CA -0.951 53.895 54.840 0.009 0.000 0.819 575 L CB 1.615 43.534 42.059 -0.232 0.000 1.284 575 L HN 0.683 nan 8.230 nan 0.000 0.418 576 I N 3.316 123.765 120.570 -0.202 0.000 2.588 576 I HA 0.109 4.284 4.170 0.009 0.000 0.283 576 I C 0.118 175.890 176.117 -0.575 0.000 1.119 576 I CA 0.307 61.363 61.300 -0.407 0.000 1.419 576 I CB 0.687 38.451 38.000 -0.394 0.000 1.394 576 I HN 0.561 nan 8.210 nan 0.000 0.562 577 K N 4.934 124.713 120.400 -1.035 0.000 2.444 577 K HA 0.599 4.925 4.320 0.009 0.000 0.252 577 K C -1.694 174.203 176.600 -1.172 0.000 0.993 577 K CA -0.730 54.903 56.287 -1.090 0.000 0.847 577 K CB 2.490 34.103 32.500 -1.477 0.000 1.340 577 K HN 0.248 nan 8.250 nan 0.000 0.446 578 Y N 0.295 120.413 120.300 -0.303 0.000 2.499 578 Y HA 0.203 4.759 4.550 0.009 0.000 0.347 578 Y C 0.118 176.126 175.900 0.179 0.000 0.987 578 Y CA -1.069 57.022 58.100 -0.015 0.000 1.044 578 Y CB 1.348 39.792 38.460 -0.027 0.000 1.245 578 Y HN 0.686 nan 8.280 nan 0.000 0.461 579 D N -0.385 120.231 120.400 0.360 0.000 2.539 579 D HA 0.052 4.698 4.640 0.009 0.000 0.280 579 D C 0.671 177.050 176.300 0.131 0.000 1.208 579 D CA -0.603 53.530 54.000 0.222 0.000 1.088 579 D CB 0.116 40.986 40.800 0.117 0.000 1.149 579 D HN 0.748 nan 8.370 nan 0.000 0.596 580 E N -1.045 119.198 120.200 0.072 0.000 2.527 580 E HA -0.129 4.226 4.350 0.009 0.000 0.204 580 E C -0.331 176.293 176.600 0.041 0.000 1.132 580 E CA 0.447 56.872 56.400 0.042 0.000 0.905 580 E CB -0.742 28.970 29.700 0.019 0.000 0.875 580 E HN 0.459 nan 8.360 nan 0.000 0.548 581 N N -0.470 118.268 118.700 0.062 0.000 2.228 581 N HA 0.093 4.839 4.740 0.009 0.000 0.237 581 N C 0.466 176.022 175.510 0.077 0.000 1.382 581 N CA 0.013 53.095 53.050 0.054 0.000 0.787 581 N CB 1.109 39.621 38.487 0.043 0.000 1.320 581 N HN 0.205 nan 8.380 nan 0.000 0.507 582 G N 1.492 110.356 108.800 0.106 0.000 2.269 582 G HA2 -0.303 3.663 3.960 0.009 0.000 0.277 582 G HA3 -0.303 3.663 3.960 0.009 0.000 0.277 582 G C -0.263 174.796 174.900 0.265 0.000 1.008 582 G CA 0.377 45.558 45.100 0.134 0.000 0.774 582 G HN 0.367 nan 8.290 nan 0.000 0.511 583 N N 1.034 119.875 118.700 0.236 0.000 2.479 583 N HA 0.568 5.314 4.740 0.009 0.000 0.285 583 N C -2.127 173.509 175.510 0.211 0.000 1.075 583 N CA -1.639 51.531 53.050 0.200 0.000 0.967 583 N CB 1.842 40.402 38.487 0.122 0.000 1.137 583 N HN 0.129 nan 8.380 nan 0.000 0.472 584 P HA 0.458 nan 4.420 nan 0.000 0.283 584 P C -0.791 176.466 177.300 -0.072 0.000 1.271 584 P CA -0.522 62.404 63.100 -0.291 0.000 0.841 584 P CB 0.973 32.363 31.700 -0.518 0.000 1.122 585 W N -2.085 118.963 121.300 -0.421 0.000 3.153 585 W HA 0.385 5.051 4.660 0.009 0.000 0.316 585 W C -1.760 174.595 176.519 -0.273 0.000 1.255 585 W CA -0.897 56.233 57.345 -0.359 0.000 1.192 585 W CB 0.087 29.147 29.460 -0.668 0.000 1.400 585 W HN 0.110 nan 8.180 nan 0.000 0.568 586 S N 1.785 117.523 115.700 0.063 0.000 2.439 586 S HA 0.604 5.079 4.470 0.009 0.000 0.282 586 S C 0.220 174.944 174.600 0.208 0.000 1.170 586 S CA -0.287 57.951 58.200 0.063 0.000 1.054 586 S CB 0.851 64.165 63.200 0.191 0.000 0.956 586 S HN 0.647 nan 8.310 nan 0.000 0.490 587 A N 3.091 125.857 122.820 -0.091 0.000 2.306 587 A HA 0.843 5.168 4.320 0.009 0.000 0.330 587 A C -0.532 177.257 177.584 0.342 0.000 1.146 587 A CA -0.682 51.327 52.037 -0.046 0.000 0.827 587 A CB 0.502 19.136 19.000 -0.610 0.000 1.178 587 A HN 0.818 nan 8.150 nan 0.000 0.490 588 Y N -0.349 120.280 120.300 0.549 0.000 2.914 588 Y HA 0.775 5.331 4.550 0.010 0.000 0.315 588 Y C 0.670 176.985 175.900 0.693 0.000 1.345 588 Y CA -1.647 56.784 58.100 0.553 0.000 1.121 588 Y CB -0.206 38.434 38.460 0.299 0.000 1.363 588 Y HN 0.922 nan 8.280 nan 0.000 0.566 589 G N -0.248 109.034 108.800 0.804 0.000 2.368 589 G HA2 0.344 4.309 3.960 0.009 0.000 0.233 589 G HA3 0.344 4.309 3.960 0.009 0.000 0.233 589 G C 1.037 176.326 174.900 0.648 0.000 1.267 589 G CA 0.356 45.834 45.100 0.629 0.000 0.873 589 G HN 1.991 nan 8.290 nan 0.000 0.539 590 G N 1.506 110.656 108.800 0.584 0.000 2.196 590 G HA2 -0.287 3.678 3.960 0.009 0.000 0.268 590 G HA3 -0.287 3.678 3.960 0.009 0.000 0.268 590 G C 0.818 175.948 174.900 0.383 0.000 0.975 590 G CA 0.807 46.167 45.100 0.433 0.000 0.648 590 G HN 0.684 nan 8.290 nan 0.000 0.538 591 D N -0.844 119.809 120.400 0.422 0.000 2.349 591 D HA 0.232 4.878 4.640 0.009 0.000 0.224 591 D C 1.138 177.335 176.300 -0.173 0.000 1.029 591 D CA 0.130 54.211 54.000 0.135 0.000 0.879 591 D CB -0.132 40.706 40.800 0.062 0.000 0.906 591 D HN 0.458 nan 8.370 nan 0.000 0.528 592 F N -0.740 119.336 119.950 0.210 0.000 2.698 592 F HA 0.265 4.797 4.527 0.009 0.000 0.304 592 F C 1.663 177.552 175.800 0.147 0.000 1.108 592 F CA -0.303 57.776 58.000 0.132 0.000 1.263 592 F CB 0.866 39.930 39.000 0.106 0.000 1.013 592 F HN -0.060 nan 8.300 nan 0.000 0.532 593 G N 0.949 109.901 108.800 0.253 0.000 2.187 593 G HA2 -0.299 3.667 3.960 0.009 0.000 0.261 593 G HA3 -0.299 3.667 3.960 0.009 0.000 0.261 593 G C -0.219 174.825 174.900 0.239 0.000 1.000 593 G CA 0.372 45.594 45.100 0.205 0.000 0.718 593 G HN 0.454 nan 8.290 nan 0.000 0.519 594 D N 0.568 121.163 120.400 0.325 0.000 2.383 594 D HA 0.454 5.100 4.640 0.009 0.000 0.252 594 D C 0.001 176.435 176.300 0.224 0.000 1.166 594 D CA 0.350 54.536 54.000 0.311 0.000 0.879 594 D CB 1.233 42.294 40.800 0.435 0.000 1.164 594 D HN 0.090 nan 8.370 nan 0.000 0.462 595 T N 2.368 117.025 114.554 0.172 0.000 2.952 595 T HA 0.458 4.814 4.350 0.009 0.000 0.305 595 T C -2.387 172.365 174.700 0.086 0.000 1.064 595 T CA -1.025 61.143 62.100 0.113 0.000 1.008 595 T CB 1.925 70.853 68.868 0.100 0.000 1.078 595 T HN 0.372 nan 8.240 nan 0.000 0.459 596 P HA 0.496 nan 4.420 nan 0.000 0.279 596 P C -0.923 176.365 177.300 -0.022 0.000 1.252 596 P CA -0.623 62.481 63.100 0.007 0.000 0.811 596 P CB 0.843 32.522 31.700 -0.035 0.000 1.035 597 N N -0.295 118.386 118.700 -0.031 0.000 2.902 597 N HA 0.213 4.959 4.740 0.009 0.000 0.268 597 N C -1.154 174.269 175.510 -0.145 0.000 1.450 597 N CA -0.534 52.451 53.050 -0.109 0.000 0.819 597 N CB 1.431 39.933 38.487 0.026 0.000 1.540 597 N HN 0.209 nan 8.380 nan 0.000 0.545 598 D N -0.393 119.848 120.400 -0.265 0.000 2.740 598 D HA 0.185 4.830 4.640 0.009 0.000 0.301 598 D C 0.312 176.720 176.300 0.180 0.000 1.408 598 D CA -0.194 53.752 54.000 -0.090 0.000 0.808 598 D CB 1.197 41.862 40.800 -0.226 0.000 1.128 598 D HN 0.613 nan 8.370 nan 0.000 0.465 599 R N 0.263 120.879 120.500 0.193 0.000 3.531 599 R HA -0.373 3.973 4.340 0.009 0.000 0.582 599 R C 1.239 177.481 176.300 -0.096 0.000 0.241 599 R CA 1.604 57.793 56.100 0.150 0.000 1.798 599 R CB -1.307 28.968 30.300 -0.042 0.000 0.875 599 R HN 0.012 nan 8.270 nan 0.000 0.617 600 Q N 0.401 119.743 119.800 -0.763 0.000 2.308 600 Q HA -0.070 4.276 4.340 0.009 0.000 0.209 600 Q C 1.910 177.677 176.000 -0.388 0.000 0.985 600 Q CA 2.225 57.527 55.803 -0.835 0.000 0.881 600 Q CB -0.526 27.642 28.738 -0.950 0.000 0.917 600 Q HN 0.510 nan 8.270 nan 0.000 0.443 601 F N 0.655 120.557 119.950 -0.081 0.000 2.257 601 F HA -0.303 4.230 4.527 0.010 0.000 0.302 601 F C 1.959 177.784 175.800 0.041 0.000 1.056 601 F CA 0.857 58.897 58.000 0.067 0.000 1.353 601 F CB -0.284 38.784 39.000 0.115 0.000 1.064 601 F HN 0.394 nan 8.300 nan 0.000 0.520 602 C N -1.216 118.017 119.300 -0.111 0.000 2.626 602 C HA 0.270 4.735 4.460 0.009 0.000 0.266 602 C C 0.796 175.594 174.990 -0.319 0.000 1.317 602 C CA -0.562 58.070 59.018 -0.643 0.000 1.716 602 C CB -1.533 25.071 27.740 -1.894 0.000 1.819 602 C HN 0.225 nan 8.230 nan 0.000 0.578 603 M N 2.891 122.389 119.600 -0.169 0.000 2.016 603 M HA 0.343 4.829 4.480 0.009 0.000 0.315 603 M C -0.686 175.529 176.300 -0.142 0.000 0.930 603 M CA 0.182 55.395 55.300 -0.145 0.000 0.899 603 M CB 0.520 33.088 32.600 -0.055 0.000 1.401 603 M HN 0.166 nan 8.290 nan 0.000 0.386 604 N N 1.622 120.202 118.700 -0.200 0.000 2.416 604 N HA 0.232 4.977 4.740 0.009 0.000 0.267 604 N C 0.110 175.387 175.510 -0.387 0.000 1.294 604 N CA -0.088 52.794 53.050 -0.279 0.000 0.891 604 N CB 1.422 39.764 38.487 -0.242 0.000 1.238 604 N HN 0.699 nan 8.380 nan 0.000 0.508 605 G N -0.428 108.086 108.800 -0.476 0.000 2.511 605 G HA2 0.497 4.462 3.960 0.009 0.000 0.316 605 G HA3 0.497 4.462 3.960 0.009 0.000 0.316 605 G C 0.684 175.081 174.900 -0.840 0.000 1.210 605 G CA -0.495 44.228 45.100 -0.628 0.000 0.969 605 G HN 0.142 nan 8.290 nan 0.000 0.492 606 L N -0.517 120.227 121.223 -0.798 0.000 2.513 606 L HA 0.235 4.580 4.340 0.009 0.000 0.222 606 L C 0.479 176.846 176.870 -0.838 0.000 1.096 606 L CA 0.357 54.786 54.840 -0.685 0.000 0.857 606 L CB 0.506 42.255 42.059 -0.517 0.000 1.026 606 L HN 0.383 nan 8.230 nan 0.000 0.469 607 V N -4.471 114.807 119.914 -1.060 0.000 2.932 607 V HA 0.442 4.568 4.120 0.009 0.000 0.307 607 V C -0.425 175.252 176.094 -0.695 0.000 1.147 607 V CA -1.171 60.657 62.300 -0.787 0.000 0.951 607 V CB 1.648 32.988 31.823 -0.804 0.000 1.031 607 V HN -0.060 nan 8.190 nan 0.000 0.426 608 F N 2.524 122.409 119.950 -0.109 0.000 2.586 608 F HA 0.451 4.984 4.527 0.010 0.000 0.344 608 F C 1.900 177.620 175.800 -0.133 0.000 1.188 608 F CA 0.845 58.834 58.000 -0.018 0.000 1.359 608 F CB 0.773 39.779 39.000 0.010 0.000 1.129 608 F HN 0.833 nan 8.300 nan 0.000 0.609 609 A N 0.788 123.682 122.820 0.124 0.000 2.259 609 A HA -0.135 4.191 4.320 0.009 0.000 0.212 609 A C 1.005 178.576 177.584 -0.022 0.000 1.178 609 A CA 1.478 53.544 52.037 0.048 0.000 0.734 609 A CB -1.309 17.769 19.000 0.129 0.000 0.774 609 A HN 0.844 nan 8.150 nan 0.000 0.481 610 D N -3.139 117.264 120.400 0.006 0.000 2.469 610 D HA 0.210 4.855 4.640 0.009 0.000 0.215 610 D C 0.472 176.760 176.300 -0.021 0.000 1.154 610 D CA -0.470 53.502 54.000 -0.048 0.000 0.832 610 D CB 0.353 41.131 40.800 -0.037 0.000 1.008 610 D HN 0.044 nan 8.370 nan 0.000 0.506 611 R N -0.420 120.066 120.500 -0.023 0.000 3.878 611 R HA -0.137 4.209 4.340 0.009 0.000 0.330 611 R C -0.349 175.956 176.300 0.008 0.000 1.186 611 R CA 1.270 57.348 56.100 -0.037 0.000 0.885 611 R CB -3.740 26.568 30.300 0.014 0.000 1.377 611 R HN 0.562 nan 8.270 nan 0.000 0.523 612 T N -0.672 113.931 114.554 0.081 0.000 2.767 612 T HA 0.618 4.973 4.350 0.009 0.000 0.288 612 T C -2.102 172.753 174.700 0.258 0.000 0.963 612 T CA -2.008 60.169 62.100 0.127 0.000 1.019 612 T CB 2.744 71.650 68.868 0.063 0.000 0.923 612 T HN -0.076 nan 8.240 nan 0.000 0.468 613 P HA 0.198 nan 4.420 nan 0.000 0.274 613 P C -0.311 177.082 177.300 0.155 0.000 1.231 613 P CA -0.392 62.738 63.100 0.049 0.000 0.790 613 P CB 0.559 32.263 31.700 0.006 0.000 0.951 614 H N 2.063 120.991 119.070 -0.236 0.000 2.488 614 H HA 0.146 4.708 4.556 0.010 0.000 0.347 614 H C -1.190 174.063 175.328 -0.125 0.000 1.174 614 H CA -1.866 54.032 56.048 -0.249 0.000 1.307 614 H CB 0.958 30.487 29.762 -0.389 0.000 1.517 614 H HN 0.317 nan 8.280 nan 0.000 0.554 615 P HA -0.172 nan 4.420 nan 0.000 0.215 615 P C 1.276 178.588 177.300 0.019 0.000 1.153 615 P CA 1.498 64.603 63.100 0.008 0.000 0.853 615 P CB -0.073 31.634 31.700 0.011 0.000 0.788 616 A N 0.148 122.985 122.820 0.027 0.000 1.958 616 A HA -0.230 4.095 4.320 0.009 0.000 0.221 616 A C 2.192 179.736 177.584 -0.067 0.000 1.178 616 A CA 1.886 53.900 52.037 -0.039 0.000 0.642 616 A CB -1.798 17.147 19.000 -0.091 0.000 0.816 616 A HN 0.209 nan 8.150 nan 0.000 0.453 617 L N -0.143 121.057 121.223 -0.039 0.000 2.103 617 L HA -0.236 4.110 4.340 0.009 0.000 0.215 617 L C 2.368 179.282 176.870 0.074 0.000 1.080 617 L CA 2.925 57.771 54.840 0.010 0.000 0.764 617 L CB -0.884 41.170 42.059 -0.007 0.000 0.890 617 L HN 0.412 nan 8.230 nan 0.000 0.435 618 T N -1.353 113.251 114.554 0.084 0.000 2.812 618 T HA -0.150 4.206 4.350 0.009 0.000 0.264 618 T C 1.682 176.481 174.700 0.165 0.000 1.042 618 T CA 1.146 63.349 62.100 0.172 0.000 1.140 618 T CB -0.202 68.760 68.868 0.156 0.000 0.870 618 T HN 0.346 nan 8.240 nan 0.000 0.445 619 E N 1.799 122.045 120.200 0.076 0.000 2.070 619 E HA -0.134 4.222 4.350 0.009 0.000 0.197 619 E C 2.250 178.872 176.600 0.036 0.000 1.004 619 E CA 1.627 58.073 56.400 0.077 0.000 0.805 619 E CB -0.662 29.044 29.700 0.011 0.000 0.744 619 E HN 0.440 nan 8.360 nan 0.000 0.451 620 A N 0.880 123.608 122.820 -0.154 0.000 1.865 620 A HA -0.276 4.050 4.320 0.009 0.000 0.217 620 A C 2.201 179.711 177.584 -0.122 0.000 1.191 620 A CA 2.432 54.359 52.037 -0.182 0.000 0.623 620 A CB -0.789 18.092 19.000 -0.199 0.000 0.826 620 A HN 0.324 nan 8.150 nan 0.000 0.444 621 K N -0.982 119.404 120.400 -0.023 0.000 2.044 621 K HA -0.276 4.050 4.320 0.009 0.000 0.210 621 K C 2.086 178.604 176.600 -0.136 0.000 1.049 621 K CA 2.043 58.318 56.287 -0.020 0.000 0.927 621 K CB -0.513 32.098 32.500 0.185 0.000 0.713 621 K HN 0.761 nan 8.250 nan 0.000 0.443 622 H N -0.595 118.304 119.070 -0.284 0.000 2.326 622 H HA -0.074 4.487 4.556 0.010 0.000 0.301 622 H C 1.829 176.886 175.328 -0.452 0.000 1.081 622 H CA 1.255 56.943 56.048 -0.601 0.000 1.334 622 H CB 0.305 29.736 29.762 -0.552 0.000 1.385 622 H HN 0.314 nan 8.280 nan 0.000 0.504 623 Q N 0.643 120.201 119.800 -0.403 0.000 2.135 623 Q HA -0.144 4.201 4.340 0.009 0.000 0.204 623 Q C 1.976 177.399 176.000 -0.962 0.000 0.981 623 Q CA 1.257 56.715 55.803 -0.575 0.000 0.856 623 Q CB -0.222 28.322 28.738 -0.323 0.000 0.902 623 Q HN 0.705 nan 8.270 nan 0.000 0.425 624 Q N 0.890 120.100 119.800 -0.984 0.000 2.444 624 Q HA -0.002 4.343 4.340 0.009 0.000 0.206 624 Q C 0.383 175.804 176.000 -0.965 0.000 0.948 624 Q CA -0.214 54.855 55.803 -1.222 0.000 0.946 624 Q CB 0.116 28.203 28.738 -1.085 0.000 1.027 624 Q HN 0.464 nan 8.270 nan 0.000 0.513 625 Q N -0.411 118.982 119.800 -0.677 0.000 2.386 625 Q HA -0.041 4.304 4.340 0.009 0.000 0.282 625 Q C -0.278 175.395 176.000 -0.545 0.000 1.050 625 Q CA 0.187 55.714 55.803 -0.460 0.000 0.918 625 Q CB 0.432 29.038 28.738 -0.222 0.000 1.266 625 Q HN 0.151 nan 8.270 nan 0.000 0.423 626 F N 0.668 120.382 119.950 -0.393 0.000 2.558 626 F HA 0.182 4.714 4.527 0.009 0.000 0.298 626 F C 0.003 175.289 175.800 -0.858 0.000 1.119 626 F CA 0.191 57.723 58.000 -0.780 0.000 1.451 626 F CB 0.317 38.504 39.000 -1.354 0.000 1.091 626 F HN 0.358 nan 8.300 nan 0.000 0.563 627 F N 0.073 119.981 119.950 -0.071 0.000 2.495 627 F HA 0.482 5.015 4.527 0.010 0.000 0.327 627 F C -0.044 175.509 175.800 -0.413 0.000 1.103 627 F CA -1.182 56.686 58.000 -0.220 0.000 0.949 627 F CB 1.066 39.955 39.000 -0.184 0.000 1.142 627 F HN -0.325 nan 8.300 nan 0.000 0.457 628 Q N 2.671 122.244 119.800 -0.377 0.000 2.348 628 Q HA 0.634 4.979 4.340 0.009 0.000 0.271 628 Q C -1.431 174.226 176.000 -0.573 0.000 1.067 628 Q CA -0.720 54.882 55.803 -0.334 0.000 0.839 628 Q CB 3.106 31.773 28.738 -0.118 0.000 1.354 628 Q HN 0.560 nan 8.270 nan 0.000 0.447 629 F N -0.242 119.836 119.950 0.214 0.000 2.613 629 F HA 0.617 5.150 4.527 0.010 0.000 0.314 629 F C 0.002 176.037 175.800 0.391 0.000 1.075 629 F CA -0.899 57.296 58.000 0.325 0.000 0.945 629 F CB 1.830 41.161 39.000 0.552 0.000 1.310 629 F HN 0.189 nan 8.300 nan 0.000 0.467 630 R N 1.250 122.075 120.500 0.540 0.000 2.548 630 R HA 0.605 4.950 4.340 0.009 0.000 0.280 630 R C -2.030 174.315 176.300 0.076 0.000 1.061 630 R CA -1.022 55.296 56.100 0.363 0.000 0.915 630 R CB 2.936 33.354 30.300 0.196 0.000 1.210 630 R HN 0.618 nan 8.270 nan 0.000 0.442 631 L N 1.163 122.261 121.223 -0.208 0.000 2.309 631 L HA 0.521 4.867 4.340 0.009 0.000 0.282 631 L C -0.719 175.984 176.870 -0.279 0.000 1.036 631 L CA 0.273 54.776 54.840 -0.561 0.000 0.806 631 L CB 1.991 43.232 42.059 -1.363 0.000 1.220 631 L HN 0.490 nan 8.230 nan 0.000 0.429 632 S N 3.610 119.176 115.700 -0.223 0.000 2.652 632 S HA 0.647 5.122 4.470 0.009 0.000 0.252 632 S C 0.351 174.864 174.600 -0.145 0.000 1.219 632 S CA 0.129 58.245 58.200 -0.140 0.000 1.151 632 S CB 0.276 63.426 63.200 -0.083 0.000 1.080 632 S HN 1.364 nan 8.310 nan 0.000 0.481 633 G N 4.126 112.839 108.800 -0.145 0.000 2.675 633 G HA2 -0.310 3.656 3.960 0.009 0.000 0.312 633 G HA3 -0.310 3.656 3.960 0.009 0.000 0.312 633 G C 0.163 174.957 174.900 -0.177 0.000 1.186 633 G CA 0.783 45.803 45.100 -0.134 0.000 0.965 633 G HN 0.860 nan 8.290 nan 0.000 0.548 634 Q N -0.713 118.984 119.800 -0.171 0.000 2.063 634 Q HA 0.459 4.805 4.340 0.009 0.000 0.245 634 Q C -0.417 175.459 176.000 -0.207 0.000 0.828 634 Q CA 0.161 55.835 55.803 -0.215 0.000 1.089 634 Q CB 0.860 29.471 28.738 -0.212 0.000 1.232 634 Q HN 0.366 nan 8.270 nan 0.000 0.445 635 T N 1.996 116.444 114.554 -0.175 0.000 2.756 635 T HA 0.487 4.842 4.350 0.009 0.000 0.290 635 T C -0.271 174.337 174.700 -0.154 0.000 0.985 635 T CA -0.287 61.731 62.100 -0.138 0.000 0.955 635 T CB 0.683 69.496 68.868 -0.091 0.000 0.930 635 T HN 0.224 nan 8.240 nan 0.000 0.451 636 I N 3.729 124.218 120.570 -0.136 0.000 2.331 636 I HA 0.275 4.451 4.170 0.009 0.000 0.292 636 I C 0.617 176.743 176.117 0.015 0.000 0.998 636 I CA -0.604 60.641 61.300 -0.092 0.000 1.267 636 I CB 1.111 39.092 38.000 -0.033 0.000 1.386 636 I HN 0.630 nan 8.210 nan 0.000 0.476 637 E N 7.162 127.393 120.200 0.051 0.000 2.134 637 E HA 0.485 4.840 4.350 0.009 0.000 0.278 637 E C -1.650 175.015 176.600 0.109 0.000 0.959 637 E CA -0.674 55.766 56.400 0.066 0.000 0.783 637 E CB 1.606 31.329 29.700 0.039 0.000 1.095 637 E HN 0.326 nan 8.360 nan 0.000 0.399 638 V N 4.186 124.138 119.914 0.063 0.000 2.384 638 V HA 0.328 4.453 4.120 0.009 0.000 0.287 638 V C -0.110 175.966 176.094 -0.031 0.000 1.020 638 V CA -0.695 61.585 62.300 -0.033 0.000 0.850 638 V CB 1.550 33.381 31.823 0.014 0.000 0.987 638 V HN 0.809 nan 8.190 nan 0.000 0.436 639 T N 3.233 117.740 114.554 -0.079 0.000 2.824 639 T HA 0.347 4.702 4.350 0.009 0.000 0.280 639 T C 0.056 174.769 174.700 0.022 0.000 0.995 639 T CA -0.201 61.887 62.100 -0.020 0.000 1.009 639 T CB 1.599 70.442 68.868 -0.042 0.000 0.955 639 T HN 0.620 nan 8.240 nan 0.000 0.452 640 S N 1.385 117.114 115.700 0.048 0.000 2.537 640 S HA 0.222 4.698 4.470 0.009 0.000 0.275 640 S C 0.846 175.374 174.600 -0.119 0.000 1.272 640 S CA -0.496 57.710 58.200 0.010 0.000 1.050 640 S CB 0.740 64.008 63.200 0.113 0.000 0.961 640 S HN 0.799 nan 8.310 nan 0.000 0.496 641 E N 2.681 122.710 120.200 -0.285 0.000 2.498 641 E HA 0.128 4.484 4.350 0.009 0.000 0.203 641 E C -0.775 175.678 176.600 -0.245 0.000 1.013 641 E CA -0.141 56.113 56.400 -0.244 0.000 0.927 641 E CB 0.385 29.919 29.700 -0.275 0.000 1.012 641 E HN 0.698 nan 8.360 nan 0.000 0.482 642 Y N 0.019 120.219 120.300 -0.167 0.000 2.379 642 Y HA -0.003 4.553 4.550 0.009 0.000 0.337 642 Y C 1.312 177.057 175.900 -0.258 0.000 1.238 642 Y CA 0.240 58.210 58.100 -0.217 0.000 1.405 642 Y CB 0.737 39.041 38.460 -0.261 0.000 1.310 642 Y HN -0.046 nan 8.280 nan 0.000 0.569 643 L N 0.292 121.366 121.223 -0.248 0.000 2.500 643 L HA 0.125 4.471 4.340 0.009 0.000 0.219 643 L C 0.879 177.326 176.870 -0.706 0.000 1.057 643 L CA 0.382 54.852 54.840 -0.615 0.000 0.854 643 L CB 0.060 41.487 42.059 -1.054 0.000 1.078 643 L HN 0.595 nan 8.230 nan 0.000 0.480 644 F N 0.128 120.097 119.950 0.031 0.000 2.592 644 F HA 0.207 4.739 4.527 0.008 0.000 0.280 644 F C 1.533 177.323 175.800 -0.016 0.000 1.083 644 F CA -0.755 57.236 58.000 -0.014 0.000 1.365 644 F CB 0.256 39.224 39.000 -0.052 0.000 1.100 644 F HN -0.104 nan 8.300 nan 0.000 0.633 645 R N 0.183 120.729 120.500 0.077 0.000 2.553 645 R HA 0.431 4.777 4.340 0.009 0.000 0.263 645 R C -1.133 175.158 176.300 -0.014 0.000 1.066 645 R CA -0.524 55.554 56.100 -0.038 0.000 1.135 645 R CB 0.496 30.686 30.300 -0.183 0.000 1.148 645 R HN 0.116 nan 8.270 nan 0.000 0.558 646 H N -0.404 118.607 119.070 -0.099 0.000 2.495 646 H HA 0.232 4.794 4.556 0.009 0.000 0.348 646 H C -0.545 174.781 175.328 -0.003 0.000 1.113 646 H CA -0.696 55.341 56.048 -0.018 0.000 1.195 646 H CB 1.679 31.445 29.762 0.007 0.000 1.521 646 H HN 0.763 nan 8.280 nan 0.000 0.509 647 S N 3.354 118.912 115.700 -0.236 0.000 3.664 647 S HA -0.106 4.369 4.470 0.009 0.000 0.179 647 S C 0.297 174.941 174.600 0.073 0.000 0.981 647 S CA 0.424 58.620 58.200 -0.007 0.000 1.049 647 S CB -1.014 62.148 63.200 -0.063 0.000 1.478 647 S HN 0.711 nan 8.310 nan 0.000 0.459 648 D N 0.122 120.609 120.400 0.146 0.000 2.358 648 D HA 0.072 4.717 4.640 0.009 0.000 0.224 648 D C 0.276 176.623 176.300 0.077 0.000 1.123 648 D CA -0.386 53.707 54.000 0.155 0.000 0.833 648 D CB -0.193 40.724 40.800 0.195 0.000 0.946 648 D HN 0.369 nan 8.370 nan 0.000 0.505 649 N N -0.038 118.703 118.700 0.068 0.000 2.605 649 N HA 0.145 4.891 4.740 0.009 0.000 0.265 649 N C -1.659 173.894 175.510 0.071 0.000 1.625 649 N CA -0.177 52.903 53.050 0.051 0.000 0.862 649 N CB 0.271 38.773 38.487 0.026 0.000 1.415 649 N HN 0.007 nan 8.380 nan 0.000 0.513 650 E N -0.162 120.071 120.200 0.055 0.000 2.352 650 E HA 0.540 4.895 4.350 0.009 0.000 0.280 650 E C -1.865 174.748 176.600 0.021 0.000 0.930 650 E CA -0.603 55.819 56.400 0.038 0.000 0.765 650 E CB 2.288 31.964 29.700 -0.040 0.000 1.219 650 E HN 0.151 nan 8.360 nan 0.000 0.434 651 L N 2.325 123.572 121.223 0.041 0.000 2.401 651 L HA 0.567 4.912 4.340 0.009 0.000 0.266 651 L C -1.865 175.063 176.870 0.096 0.000 0.991 651 L CA -0.887 53.990 54.840 0.062 0.000 0.818 651 L CB 1.834 43.930 42.059 0.062 0.000 1.321 651 L HN 0.523 nan 8.230 nan 0.000 0.413 652 L N 4.243 125.544 121.223 0.130 0.000 2.265 652 L HA 0.383 4.728 4.340 0.009 0.000 0.289 652 L C -0.596 176.426 176.870 0.254 0.000 1.033 652 L CA 0.112 55.068 54.840 0.193 0.000 0.814 652 L CB 0.477 42.662 42.059 0.209 0.000 1.203 652 L HN 0.593 nan 8.230 nan 0.000 0.423 653 H N 6.398 125.539 119.070 0.118 0.000 2.517 653 H HA 0.271 4.832 4.556 0.009 0.000 0.317 653 H C -1.301 174.110 175.328 0.138 0.000 1.080 653 H CA -0.614 55.464 56.048 0.050 0.000 1.301 653 H CB 0.657 30.409 29.762 -0.016 0.000 1.425 653 H HN 0.750 nan 8.280 nan 0.000 0.471 654 W N 5.726 126.732 121.300 -0.490 0.000 2.781 654 W HA 0.528 5.193 4.660 0.009 0.000 0.345 654 W C -1.861 174.372 176.519 -0.477 0.000 1.085 654 W CA -1.427 55.712 57.345 -0.343 0.000 1.198 654 W CB 1.476 30.868 29.460 -0.113 0.000 1.423 654 W HN 0.573 nan 8.180 nan 0.000 0.532 655 M N 3.266 122.985 119.600 0.198 0.000 2.365 655 M HA 0.520 5.006 4.480 0.009 0.000 0.288 655 M C -2.504 173.974 176.300 0.297 0.000 1.152 655 M CA -0.385 54.932 55.300 0.029 0.000 0.948 655 M CB 2.136 34.630 32.600 -0.177 0.000 1.729 655 M HN 0.180 nan 8.290 nan 0.000 0.487 656 V N 3.378 123.483 119.914 0.318 0.000 2.495 656 V HA 1.018 5.144 4.120 0.009 0.000 0.298 656 V C -0.293 175.911 176.094 0.183 0.000 1.031 656 V CA -0.248 62.218 62.300 0.277 0.000 0.871 656 V CB 1.119 33.116 31.823 0.289 0.000 0.988 656 V HN 1.021 nan 8.190 nan 0.000 0.432 657 A N 4.249 127.184 122.820 0.191 0.000 2.475 657 A HA 0.871 5.197 4.320 0.009 0.000 0.301 657 A C -1.526 176.177 177.584 0.198 0.000 1.059 657 A CA -0.611 51.516 52.037 0.151 0.000 0.710 657 A CB 1.791 20.846 19.000 0.092 0.000 1.288 657 A HN 0.780 nan 8.150 nan 0.000 0.408 658 L N 1.859 123.166 121.223 0.140 0.000 2.297 658 L HA 0.504 4.850 4.340 0.009 0.000 0.277 658 L C -0.549 176.419 176.870 0.162 0.000 1.040 658 L CA 0.280 55.214 54.840 0.156 0.000 0.867 658 L CB -0.247 41.870 42.059 0.097 0.000 1.244 658 L HN 0.762 nan 8.230 nan 0.000 0.433 659 D N 4.454 125.023 120.400 0.282 0.000 2.689 659 D HA -0.186 4.460 4.640 0.009 0.000 0.237 659 D C 1.184 177.489 176.300 0.010 0.000 1.148 659 D CA 1.524 55.662 54.000 0.230 0.000 0.656 659 D CB -1.082 39.828 40.800 0.183 0.000 1.050 659 D HN 1.102 nan 8.370 nan 0.000 0.426 660 G N -1.031 107.724 108.800 -0.076 0.000 2.241 660 G HA2 -0.357 3.609 3.960 0.009 0.000 0.244 660 G HA3 -0.357 3.609 3.960 0.009 0.000 0.244 660 G C 0.204 175.029 174.900 -0.126 0.000 0.998 660 G CA 0.407 45.376 45.100 -0.218 0.000 0.621 660 G HN 0.485 nan 8.290 nan 0.000 0.519 661 K N 2.220 122.596 120.400 -0.041 0.000 2.248 661 K HA 0.549 4.874 4.320 0.009 0.000 0.281 661 K C -2.678 173.924 176.600 0.003 0.000 1.054 661 K CA -1.877 54.396 56.287 -0.023 0.000 0.903 661 K CB 1.914 34.412 32.500 -0.002 0.000 1.077 661 K HN 0.110 nan 8.250 nan 0.000 0.474 662 P HA 0.122 nan 4.420 nan 0.000 0.287 662 P C -0.227 177.085 177.300 0.020 0.000 1.281 662 P CA -0.263 62.840 63.100 0.004 0.000 0.781 662 P CB 0.884 32.570 31.700 -0.023 0.000 0.903 663 L N 1.308 122.560 121.223 0.050 0.000 2.749 663 L HA 0.544 4.890 4.340 0.009 0.000 0.242 663 L C 0.738 177.660 176.870 0.086 0.000 1.103 663 L CA 0.155 55.033 54.840 0.064 0.000 0.906 663 L CB 0.375 42.484 42.059 0.085 0.000 1.228 663 L HN 0.415 nan 8.230 nan 0.000 0.517 664 A N 0.143 123.017 122.820 0.091 0.000 2.585 664 A HA 0.606 4.932 4.320 0.009 0.000 0.299 664 A C -0.869 176.644 177.584 -0.117 0.000 1.047 664 A CA -0.266 51.836 52.037 0.108 0.000 0.723 664 A CB 1.109 20.335 19.000 0.377 0.000 1.275 664 A HN 0.051 nan 8.150 nan 0.000 0.408 665 S N -0.128 115.239 115.700 -0.555 0.000 2.550 665 S HA 0.983 5.459 4.470 0.009 0.000 0.270 665 S C -0.194 173.612 174.600 -1.323 0.000 1.145 665 S CA -0.264 57.228 58.200 -1.180 0.000 0.852 665 S CB 1.474 64.417 63.200 -0.427 0.000 1.119 665 S HN 2.515 nan 8.310 nan 0.000 0.465 666 G N 0.241 107.965 108.800 -1.792 0.000 2.550 666 G HA2 0.664 4.630 3.960 0.009 0.000 0.293 666 G HA3 0.664 4.630 3.960 0.009 0.000 0.293 666 G C -2.398 172.181 174.900 -0.535 0.000 1.402 666 G CA -0.914 43.690 45.100 -0.827 0.000 0.784 666 G HN 0.792 nan 8.290 nan 0.000 0.482 667 E N -0.710 119.507 120.200 0.028 0.000 2.321 667 E HA 0.574 4.929 4.350 0.009 0.000 0.278 667 E C -1.430 175.295 176.600 0.208 0.000 0.902 667 E CA -0.949 55.550 56.400 0.164 0.000 0.758 667 E CB 2.846 32.614 29.700 0.114 0.000 1.213 667 E HN 0.449 nan 8.360 nan 0.000 0.426 668 V N 0.655 120.700 119.914 0.217 0.000 2.789 668 V HA 0.477 4.603 4.120 0.009 0.000 0.311 668 V C -2.632 173.531 176.094 0.115 0.000 1.073 668 V CA -2.356 60.043 62.300 0.165 0.000 0.921 668 V CB 1.934 33.864 31.823 0.177 0.000 1.009 668 V HN 0.572 nan 8.190 nan 0.000 0.426 669 P HA 0.483 nan 4.420 nan 0.000 0.285 669 P C -0.928 176.401 177.300 0.049 0.000 1.259 669 P CA -0.354 62.784 63.100 0.062 0.000 0.794 669 P CB 0.860 32.596 31.700 0.060 0.000 0.940 670 L N 3.056 124.288 121.223 0.016 0.000 2.292 670 L HA 0.322 4.668 4.340 0.009 0.000 0.284 670 L C 1.018 177.887 176.870 -0.003 0.000 1.065 670 L CA 0.184 55.013 54.840 -0.019 0.000 0.806 670 L CB 0.648 42.631 42.059 -0.128 0.000 1.175 670 L HN 0.407 nan 8.230 nan 0.000 0.431 671 D N 4.116 124.520 120.400 0.007 0.000 2.886 671 D HA 0.199 4.844 4.640 0.009 0.000 0.355 671 D C -1.037 175.240 176.300 -0.038 0.000 1.274 671 D CA -0.228 53.793 54.000 0.035 0.000 0.836 671 D CB 0.771 41.669 40.800 0.163 0.000 1.109 671 D HN 0.186 nan 8.370 nan 0.000 0.488 672 V N 0.158 119.973 119.914 -0.166 0.000 2.435 672 V HA 0.778 4.904 4.120 0.009 0.000 0.290 672 V C 0.921 176.839 176.094 -0.293 0.000 1.030 672 V CA -1.223 61.013 62.300 -0.107 0.000 0.881 672 V CB 0.984 32.827 31.823 0.034 0.000 0.983 672 V HN 0.386 nan 8.190 nan 0.000 0.445 673 A N 5.938 128.708 122.820 -0.084 0.000 2.313 673 A HA 0.747 5.073 4.320 0.009 0.000 0.261 673 A C -2.308 175.295 177.584 0.032 0.000 1.090 673 A CA -1.589 50.469 52.037 0.035 0.000 0.807 673 A CB -0.239 18.843 19.000 0.136 0.000 1.055 673 A HN 0.743 nan 8.150 nan 0.000 0.492 674 P HA 0.008 nan 4.420 nan 0.000 0.265 674 P C -0.295 177.009 177.300 0.006 0.000 1.187 674 P CA 0.532 63.657 63.100 0.041 0.000 0.766 674 P CB 0.275 31.975 31.700 -0.001 0.000 0.820 675 Q N -1.762 118.026 119.800 -0.020 0.000 2.264 675 Q HA -0.199 4.146 4.340 0.009 0.000 0.207 675 Q C 0.723 176.720 176.000 -0.005 0.000 0.702 675 Q CA 1.749 57.533 55.803 -0.032 0.000 1.411 675 Q CB -2.519 26.194 28.738 -0.042 0.000 1.717 675 Q HN 0.760 nan 8.270 nan 0.000 0.683 676 G N 0.306 109.116 108.800 0.017 0.000 2.521 676 G HA2 0.549 4.515 3.960 0.009 0.000 0.323 676 G HA3 0.549 4.515 3.960 0.009 0.000 0.323 676 G C -0.496 174.420 174.900 0.028 0.000 1.211 676 G CA -0.620 44.495 45.100 0.024 0.000 0.979 676 G HN -0.029 nan 8.290 nan 0.000 0.490 677 K N -0.704 119.712 120.400 0.025 0.000 2.139 677 K HA 0.557 4.883 4.320 0.009 0.000 0.243 677 K C -0.461 176.157 176.600 0.029 0.000 0.983 677 K CA -0.501 55.801 56.287 0.024 0.000 0.890 677 K CB 1.740 34.251 32.500 0.018 0.000 1.090 677 K HN 0.481 nan 8.250 nan 0.000 0.445 678 Q N 2.587 122.405 119.800 0.029 0.000 2.296 678 Q HA 0.219 4.564 4.340 0.009 0.000 0.254 678 Q C -1.635 174.385 176.000 0.033 0.000 0.936 678 Q CA -0.401 55.421 55.803 0.032 0.000 0.834 678 Q CB 0.965 29.722 28.738 0.032 0.000 1.340 678 Q HN 0.504 nan 8.270 nan 0.000 0.428 679 L N 5.747 126.985 121.223 0.025 0.000 2.315 679 L HA 0.429 4.774 4.340 0.009 0.000 0.283 679 L C -0.392 176.485 176.870 0.010 0.000 1.089 679 L CA -0.133 54.715 54.840 0.014 0.000 0.833 679 L CB 0.604 42.664 42.059 0.003 0.000 1.170 679 L HN 0.634 nan 8.230 nan 0.000 0.442 680 I N 3.794 124.365 120.570 0.001 0.000 2.410 680 I HA 0.242 4.418 4.170 0.009 0.000 0.286 680 I C 0.081 176.157 176.117 -0.069 0.000 1.009 680 I CA -0.329 60.962 61.300 -0.015 0.000 1.111 680 I CB 2.021 40.028 38.000 0.012 0.000 1.262 680 I HN 0.512 nan 8.210 nan 0.000 0.443 681 E N 6.559 126.715 120.200 -0.073 0.000 2.175 681 E HA 0.522 4.878 4.350 0.009 0.000 0.278 681 E C -1.171 175.333 176.600 -0.160 0.000 0.969 681 E CA -0.782 55.552 56.400 -0.110 0.000 0.796 681 E CB 2.140 31.797 29.700 -0.072 0.000 1.104 681 E HN 0.396 nan 8.360 nan 0.000 0.395 682 L N 4.607 125.682 121.223 -0.246 0.000 2.334 682 L HA 0.395 4.740 4.340 0.009 0.000 0.275 682 L C -2.102 174.620 176.870 -0.247 0.000 1.036 682 L CA -2.034 52.584 54.840 -0.371 0.000 0.807 682 L CB 0.664 42.355 42.059 -0.614 0.000 1.231 682 L HN 0.337 nan 8.230 nan 0.000 0.438 683 P HA -0.055 nan 4.420 nan 0.000 0.267 683 P C -0.467 176.776 177.300 -0.095 0.000 1.200 683 P CA -0.351 62.700 63.100 -0.082 0.000 0.772 683 P CB 0.361 32.075 31.700 0.023 0.000 0.855 684 E N 2.190 122.358 120.200 -0.054 0.000 3.025 684 E HA -0.101 4.254 4.350 0.009 0.000 0.248 684 E C -0.578 175.995 176.600 -0.045 0.000 0.938 684 E CA 0.064 56.433 56.400 -0.051 0.000 0.958 684 E CB -0.131 29.553 29.700 -0.026 0.000 0.898 684 E HN 0.261 nan 8.360 nan 0.000 0.537 685 L N 6.471 127.650 121.223 -0.074 0.000 2.417 685 L HA 0.315 4.661 4.340 0.009 0.000 0.268 685 L C -1.826 175.035 176.870 -0.015 0.000 1.158 685 L CA -1.843 52.962 54.840 -0.059 0.000 0.819 685 L CB 0.039 42.035 42.059 -0.104 0.000 1.112 685 L HN 0.479 nan 8.230 nan 0.000 0.458 686 P HA 0.098 nan 4.420 nan 0.000 0.268 686 P C -1.312 175.997 177.300 0.015 0.000 1.205 686 P CA -0.262 62.855 63.100 0.029 0.000 0.771 686 P CB 0.649 32.384 31.700 0.057 0.000 0.858 687 Q N 2.879 122.685 119.800 0.011 0.000 2.321 687 Q HA 0.680 5.026 4.340 0.009 0.000 0.270 687 Q C -2.717 173.291 176.000 0.012 0.000 1.032 687 Q CA -1.949 53.858 55.803 0.006 0.000 0.784 687 Q CB 1.113 29.847 28.738 -0.007 0.000 1.264 687 Q HN 0.194 nan 8.270 nan 0.000 0.448 688 P HA 0.175 nan 4.420 nan 0.000 0.279 688 P C 0.030 177.339 177.300 0.015 0.000 1.252 688 P CA -0.477 62.635 63.100 0.019 0.000 0.811 688 P CB 1.036 32.751 31.700 0.026 0.000 1.035 689 E N -0.454 119.756 120.200 0.016 0.000 2.230 689 E HA 0.012 4.368 4.350 0.009 0.000 0.192 689 E C 0.253 176.863 176.600 0.017 0.000 0.987 689 E CA 0.534 56.942 56.400 0.013 0.000 0.841 689 E CB -0.170 29.538 29.700 0.013 0.000 0.783 689 E HN 0.363 nan 8.360 nan 0.000 0.481 690 S N 1.145 116.858 115.700 0.022 0.000 2.550 690 S HA 0.125 4.600 4.470 0.009 0.000 0.285 690 S C 0.311 174.929 174.600 0.030 0.000 1.326 690 S CA 0.020 58.236 58.200 0.027 0.000 1.037 690 S CB 0.631 63.849 63.200 0.031 0.000 0.838 690 S HN 0.294 nan 8.310 nan 0.000 0.519 691 A N 1.659 124.500 122.820 0.035 0.000 2.322 691 A HA 0.741 5.067 4.320 0.009 0.000 0.269 691 A C 0.816 178.432 177.584 0.053 0.000 1.094 691 A CA 0.253 52.313 52.037 0.039 0.000 0.807 691 A CB -0.190 18.835 19.000 0.041 0.000 1.047 691 A HN 1.708 nan 8.150 nan 0.000 0.487 692 G N 0.178 109.010 108.800 0.054 0.000 2.459 692 G HA2 0.174 4.140 3.960 0.009 0.000 0.685 692 G HA3 0.174 4.140 3.960 0.009 0.000 0.685 692 G C -0.915 174.023 174.900 0.063 0.000 1.303 692 G CA -0.834 44.314 45.100 0.080 0.000 0.907 692 G HN 0.954 nan 8.290 nan 0.000 0.632 693 Q N -0.486 119.371 119.800 0.095 0.000 2.304 693 Q HA 0.504 4.849 4.340 0.009 0.000 0.260 693 Q C 0.047 176.061 176.000 0.024 0.000 0.965 693 Q CA -0.402 55.398 55.803 -0.004 0.000 0.898 693 Q CB 1.353 30.051 28.738 -0.066 0.000 1.196 693 Q HN 0.436 nan 8.270 nan 0.000 0.402 694 L N 4.003 125.127 121.223 -0.166 0.000 2.264 694 L HA 0.402 4.748 4.340 0.009 0.000 0.289 694 L C -1.444 175.267 176.870 -0.265 0.000 1.044 694 L CA -0.178 54.614 54.840 -0.081 0.000 0.807 694 L CB 0.279 42.305 42.059 -0.056 0.000 1.192 694 L HN 0.660 nan 8.230 nan 0.000 0.425 695 W N 5.487 126.843 121.300 0.093 0.000 2.632 695 W HA 0.537 5.203 4.660 0.009 0.000 0.328 695 W C -0.585 176.021 176.519 0.145 0.000 1.044 695 W CA -0.772 56.648 57.345 0.125 0.000 1.225 695 W CB 1.613 31.168 29.460 0.157 0.000 1.396 695 W HN 0.226 nan 8.180 nan 0.000 0.499 696 L N 3.429 124.916 121.223 0.441 0.000 2.287 696 L HA 0.680 5.026 4.340 0.009 0.000 0.287 696 L C -0.487 176.663 176.870 0.467 0.000 1.022 696 L CA -0.214 54.858 54.840 0.388 0.000 0.814 696 L CB 1.028 43.273 42.059 0.310 0.000 1.217 696 L HN 0.323 nan 8.230 nan 0.000 0.420 697 T N 5.292 120.053 114.554 0.345 0.000 2.840 697 T HA 0.611 4.967 4.350 0.009 0.000 0.287 697 T C -0.571 174.263 174.700 0.224 0.000 0.991 697 T CA -0.456 61.801 62.100 0.262 0.000 0.964 697 T CB 1.432 70.388 68.868 0.147 0.000 0.954 697 T HN 0.561 nan 8.240 nan 0.000 0.438 698 V N 2.007 122.041 119.914 0.199 0.000 2.630 698 V HA 0.807 4.932 4.120 0.009 0.000 0.305 698 V C -0.449 175.711 176.094 0.110 0.000 1.046 698 V CA -1.083 61.297 62.300 0.134 0.000 0.934 698 V CB 1.690 33.564 31.823 0.085 0.000 1.003 698 V HN 0.789 nan 8.190 nan 0.000 0.451 699 R N 2.267 122.871 120.500 0.174 0.000 2.628 699 R HA 0.748 5.094 4.340 0.009 0.000 0.288 699 R C -1.573 174.883 176.300 0.259 0.000 0.980 699 R CA -0.737 55.513 56.100 0.250 0.000 0.891 699 R CB 2.622 33.047 30.300 0.208 0.000 1.188 699 R HN 0.707 nan 8.270 nan 0.000 0.450 700 V N 3.930 124.029 119.914 0.308 0.000 2.439 700 V HA 0.360 4.486 4.120 0.009 0.000 0.282 700 V C -0.168 176.051 176.094 0.207 0.000 1.039 700 V CA -0.539 61.904 62.300 0.239 0.000 0.913 700 V CB 1.666 33.622 31.823 0.222 0.000 0.983 700 V HN 0.431 nan 8.190 nan 0.000 0.460 701 V N 4.895 124.899 119.914 0.150 0.000 2.628 701 V HA 0.424 4.549 4.120 0.009 0.000 0.306 701 V C -0.262 175.905 176.094 0.121 0.000 1.045 701 V CA -0.808 61.569 62.300 0.128 0.000 0.905 701 V CB 1.925 33.799 31.823 0.085 0.000 0.997 701 V HN 0.865 nan 8.190 nan 0.000 0.436 702 Q N 4.485 124.369 119.800 0.140 0.000 2.509 702 Q HA 0.251 4.596 4.340 0.009 0.000 0.230 702 Q C -1.797 174.234 176.000 0.052 0.000 1.089 702 Q CA -1.789 54.078 55.803 0.107 0.000 0.901 702 Q CB 1.650 30.466 28.738 0.131 0.000 1.208 702 Q HN 0.512 nan 8.270 nan 0.000 0.529 703 P HA -0.190 nan 4.420 nan 0.000 0.218 703 P C -0.615 176.681 177.300 -0.007 0.000 1.148 703 P CA 1.326 64.433 63.100 0.012 0.000 0.822 703 P CB 0.291 31.998 31.700 0.012 0.000 0.784 704 N N -0.755 117.932 118.700 -0.021 0.000 2.370 704 N HA 0.509 5.255 4.740 0.009 0.000 0.303 704 N C -0.673 174.775 175.510 -0.104 0.000 1.103 704 N CA -0.919 52.101 53.050 -0.050 0.000 0.848 704 N CB 0.940 39.402 38.487 -0.042 0.000 1.235 704 N HN -0.051 nan 8.380 nan 0.000 0.496 705 A N 0.381 123.136 122.820 -0.109 0.000 2.366 705 A HA 0.578 4.903 4.320 0.009 0.000 0.249 705 A C 0.674 178.121 177.584 -0.229 0.000 1.084 705 A CA -0.048 51.886 52.037 -0.171 0.000 0.794 705 A CB -0.092 18.837 19.000 -0.118 0.000 1.034 705 A HN 0.825 nan 8.150 nan 0.000 0.491 706 T N -2.850 111.480 114.554 -0.374 0.000 2.718 706 T HA 0.626 4.982 4.350 0.009 0.000 0.267 706 T C 0.974 175.505 174.700 -0.283 0.000 0.957 706 T CA 0.159 62.005 62.100 -0.423 0.000 1.025 706 T CB 0.939 69.271 68.868 -0.893 0.000 1.355 706 T HN 1.280 nan 8.240 nan 0.000 0.572 707 A N -0.424 122.296 122.820 -0.167 0.000 2.119 707 A HA 0.210 4.535 4.320 0.009 0.000 0.216 707 A C 1.609 179.322 177.584 0.214 0.000 1.152 707 A CA 0.707 52.772 52.037 0.046 0.000 0.708 707 A CB -0.766 18.282 19.000 0.080 0.000 0.805 707 A HN 0.901 nan 8.150 nan 0.000 0.460 708 W N -0.878 120.482 121.300 0.100 0.000 2.534 708 W HA 0.374 5.040 4.660 0.010 0.000 0.339 708 W C -0.079 176.430 176.519 -0.016 0.000 0.961 708 W CA 0.509 57.907 57.345 0.087 0.000 1.545 708 W CB -0.824 28.698 29.460 0.103 0.000 1.104 708 W HN 0.355 nan 8.180 nan 0.000 0.538 709 S N 0.741 115.981 115.700 -0.767 0.000 2.599 709 S HA 0.500 4.976 4.470 0.009 0.000 0.294 709 S C -0.284 174.088 174.600 -0.381 0.000 1.094 709 S CA -0.558 57.231 58.200 -0.685 0.000 0.931 709 S CB 2.908 65.209 63.200 -1.498 0.000 1.093 709 S HN 0.045 nan 8.310 nan 0.000 0.488 710 E N 0.617 120.717 120.200 -0.167 0.000 2.351 710 E HA 0.540 4.896 4.350 0.009 0.000 0.255 710 E C 0.264 176.835 176.600 -0.047 0.000 1.188 710 E CA -0.586 55.775 56.400 -0.066 0.000 0.940 710 E CB 1.016 30.730 29.700 0.024 0.000 1.094 710 E HN 0.872 nan 8.360 nan 0.000 0.474 711 A N -0.506 122.299 122.820 -0.024 0.000 2.388 711 A HA 0.472 4.797 4.320 0.009 0.000 0.257 711 A C 0.951 178.555 177.584 0.033 0.000 1.095 711 A CA 0.490 52.522 52.037 -0.009 0.000 0.791 711 A CB -0.027 18.965 19.000 -0.015 0.000 1.029 711 A HN 0.703 nan 8.150 nan 0.000 0.489 712 G N 0.422 109.250 108.800 0.047 0.000 2.147 712 G HA2 -0.234 3.732 3.960 0.009 0.000 0.244 712 G HA3 -0.234 3.732 3.960 0.009 0.000 0.244 712 G C 0.080 175.039 174.900 0.098 0.000 1.005 712 G CA 0.756 45.887 45.100 0.052 0.000 0.713 712 G HN 1.725 nan 8.290 nan 0.000 0.515 713 H N 0.090 119.182 119.070 0.036 0.000 2.610 713 H HA 0.599 5.160 4.556 0.009 0.000 0.336 713 H C 0.665 176.082 175.328 0.148 0.000 1.087 713 H CA -0.560 55.540 56.048 0.086 0.000 1.405 713 H CB 0.393 30.198 29.762 0.070 0.000 1.460 713 H HN 0.242 nan 8.280 nan 0.000 0.538 714 I N 4.916 125.241 120.570 -0.409 0.000 2.325 714 I HA 0.039 4.214 4.170 0.009 0.000 0.291 714 I C 1.131 177.132 176.117 -0.194 0.000 1.019 714 I CA -0.068 61.141 61.300 -0.152 0.000 1.302 714 I CB 1.613 39.605 38.000 -0.013 0.000 1.401 714 I HN 0.817 nan 8.210 nan 0.000 0.485 715 S N 4.877 120.697 115.700 0.200 0.000 2.421 715 S HA 0.350 4.825 4.470 0.009 0.000 0.224 715 S C 0.683 175.545 174.600 0.436 0.000 1.035 715 S CA 0.331 58.785 58.200 0.423 0.000 0.953 715 S CB 0.368 63.946 63.200 0.630 0.000 0.810 715 S HN 0.734 nan 8.310 nan 0.000 0.497 716 A N -0.064 123.036 122.820 0.467 0.000 2.568 716 A HA 0.746 5.071 4.320 0.009 0.000 0.291 716 A C -1.765 176.134 177.584 0.526 0.000 1.159 716 A CA -0.621 51.649 52.037 0.388 0.000 0.679 716 A CB 0.411 19.707 19.000 0.493 0.000 1.285 716 A HN 1.115 nan 8.150 nan 0.000 0.428 717 W N -1.546 119.933 121.300 0.297 0.000 2.986 717 W HA 0.717 5.383 4.660 0.010 0.000 0.345 717 W C -1.474 175.041 176.519 -0.006 0.000 1.191 717 W CA -0.294 57.095 57.345 0.073 0.000 1.170 717 W CB 0.738 30.196 29.460 -0.004 0.000 1.438 717 W HN 1.184 nan 8.180 nan 0.000 0.567 718 Q N 1.255 121.086 119.800 0.051 0.000 2.666 718 Q HA 0.416 4.761 4.340 0.009 0.000 0.276 718 Q C -2.020 173.758 176.000 -0.369 0.000 0.952 718 Q CA -0.478 55.160 55.803 -0.274 0.000 0.850 718 Q CB 2.265 30.627 28.738 -0.627 0.000 1.512 718 Q HN 0.645 nan 8.270 nan 0.000 0.395 719 Q N 2.145 121.627 119.800 -0.529 0.000 2.315 719 Q HA 0.563 4.909 4.340 0.009 0.000 0.273 719 Q C -1.599 174.269 176.000 -0.220 0.000 1.053 719 Q CA -0.557 55.131 55.803 -0.192 0.000 0.817 719 Q CB 1.584 30.366 28.738 0.074 0.000 1.326 719 Q HN 0.673 nan 8.270 nan 0.000 0.423 720 W N 2.438 123.909 121.300 0.285 0.000 2.844 720 W HA 0.504 5.169 4.660 0.009 0.000 0.340 720 W C -0.153 176.382 176.519 0.027 0.000 1.093 720 W CA -0.768 56.678 57.345 0.169 0.000 1.212 720 W CB 1.819 31.310 29.460 0.052 0.000 1.422 720 W HN 0.454 nan 8.180 nan 0.000 0.515 721 R N 1.848 122.226 120.500 -0.203 0.000 2.297 721 R HA 0.368 4.714 4.340 0.009 0.000 0.308 721 R C 0.457 176.511 176.300 -0.409 0.000 1.029 721 R CA -0.136 55.353 56.100 -1.017 0.000 0.929 721 R CB 0.965 30.357 30.300 -1.513 0.000 1.046 721 R HN 0.568 nan 8.270 nan 0.000 0.461 722 L N 2.354 123.353 121.223 -0.374 0.000 2.255 722 L HA 0.367 4.713 4.340 0.009 0.000 0.196 722 L C 0.651 177.407 176.870 -0.190 0.000 1.202 722 L CA 0.492 55.217 54.840 -0.192 0.000 0.819 722 L CB -0.206 41.784 42.059 -0.115 0.000 1.006 722 L HN 0.634 nan 8.230 nan 0.000 0.480 723 A N -0.694 122.017 122.820 -0.182 0.000 2.430 723 A HA 0.607 4.933 4.320 0.009 0.000 0.300 723 A C -1.154 176.337 177.584 -0.154 0.000 1.124 723 A CA -0.342 51.611 52.037 -0.139 0.000 0.766 723 A CB 1.647 20.595 19.000 -0.088 0.000 1.328 723 A HN 0.233 nan 8.150 nan 0.000 0.424 724 E N 0.186 120.322 120.200 -0.108 0.000 2.199 724 E HA 0.414 4.770 4.350 0.009 0.000 0.269 724 E C -1.379 175.198 176.600 -0.038 0.000 0.899 724 E CA -0.603 55.750 56.400 -0.077 0.000 0.772 724 E CB 1.070 30.729 29.700 -0.069 0.000 1.155 724 E HN 0.526 nan 8.360 nan 0.000 0.408 725 N N 4.183 122.874 118.700 -0.015 0.000 2.904 725 N HA 0.247 4.993 4.740 0.009 0.000 0.257 725 N C -0.971 174.546 175.510 0.012 0.000 1.363 725 N CA -0.333 52.716 53.050 -0.001 0.000 0.856 725 N CB 0.460 38.950 38.487 0.005 0.000 1.166 725 N HN 0.482 nan 8.380 nan 0.000 0.499 726 L N 0.462 121.691 121.223 0.011 0.000 2.653 726 L HA -0.079 4.267 4.340 0.009 0.000 0.288 726 L C 1.214 178.100 176.870 0.026 0.000 1.243 726 L CA 0.599 55.452 54.840 0.021 0.000 0.906 726 L CB 0.135 42.206 42.059 0.019 0.000 1.154 726 L HN 0.247 nan 8.230 nan 0.000 0.498 727 S N 2.470 118.191 115.700 0.035 0.000 2.414 727 S HA 0.271 4.747 4.470 0.009 0.000 0.290 727 S C 0.414 175.034 174.600 0.033 0.000 1.160 727 S CA -0.851 57.372 58.200 0.037 0.000 1.069 727 S CB 0.086 63.315 63.200 0.048 0.000 1.012 727 S HN 0.419 nan 8.310 nan 0.000 0.510 728 V N 3.153 123.084 119.914 0.028 0.000 2.933 728 V HA 0.333 4.458 4.120 0.009 0.000 0.374 728 V C 0.197 176.305 176.094 0.023 0.000 1.321 728 V CA -0.672 61.642 62.300 0.024 0.000 1.290 728 V CB -0.473 31.362 31.823 0.019 0.000 1.346 728 V HN 0.806 nan 8.190 nan 0.000 0.560 729 T N 0.466 115.036 114.554 0.026 0.000 2.912 729 T HA 0.687 5.042 4.350 0.009 0.000 0.326 729 T C -0.326 174.388 174.700 0.025 0.000 1.080 729 T CA -0.542 61.572 62.100 0.024 0.000 1.000 729 T CB 1.085 69.968 68.868 0.024 0.000 1.008 729 T HN 0.403 nan 8.240 nan 0.000 0.473 730 L N 2.094 123.329 121.223 0.020 0.000 2.477 730 L HA 0.481 4.827 4.340 0.009 0.000 0.272 730 L C -1.756 175.122 176.870 0.013 0.000 1.157 730 L CA -1.547 53.303 54.840 0.017 0.000 0.889 730 L CB -0.998 41.070 42.059 0.014 0.000 1.158 730 L HN 0.292 nan 8.230 nan 0.000 0.473 731 P HA 0.110 nan 4.420 nan 0.000 0.268 731 P C -0.264 177.029 177.300 -0.012 0.000 1.208 731 P CA -0.333 62.769 63.100 0.002 0.000 0.777 731 P CB 0.535 32.235 31.700 -0.000 0.000 0.875 732 A N 2.266 125.072 122.820 -0.022 0.000 2.526 732 A HA 0.351 4.676 4.320 0.009 0.000 0.267 732 A C 1.124 178.660 177.584 -0.080 0.000 1.095 732 A CA 0.120 52.134 52.037 -0.039 0.000 0.775 732 A CB -0.943 18.035 19.000 -0.037 0.000 1.036 732 A HN 0.658 nan 8.150 nan 0.000 0.510 733 A N 4.673 127.462 122.820 -0.051 0.000 3.152 733 A HA 0.409 4.735 4.320 0.009 0.000 0.280 733 A C 1.088 178.617 177.584 -0.092 0.000 2.009 733 A CA 0.449 52.454 52.037 -0.055 0.000 1.494 733 A CB -1.829 17.157 19.000 -0.025 0.000 0.941 733 A HN 2.202 nan 8.150 nan 0.000 0.601 734 S N 0.811 116.416 115.700 -0.157 0.000 4.609 734 S HA -0.246 4.229 4.470 0.009 0.000 0.546 734 S C 0.412 174.923 174.600 -0.148 0.000 1.001 734 S CA 1.335 59.406 58.200 -0.215 0.000 1.031 734 S CB -0.942 62.181 63.200 -0.128 0.000 1.782 734 S HN 0.814 nan 8.310 nan 0.000 0.374 735 H N 1.644 120.712 119.070 -0.003 0.000 2.568 735 H HA 0.340 4.902 4.556 0.009 0.000 0.281 735 H C 0.977 176.300 175.328 -0.008 0.000 1.028 735 H CA 0.795 56.841 56.048 -0.003 0.000 1.199 735 H CB -0.092 29.671 29.762 0.001 0.000 1.352 735 H HN 0.973 nan 8.280 nan 0.000 0.605 736 A N 0.526 123.380 122.820 0.056 0.000 2.599 736 A HA 0.582 4.907 4.320 0.009 0.000 0.290 736 A C -1.420 176.136 177.584 -0.047 0.000 1.101 736 A CA -0.811 51.234 52.037 0.012 0.000 0.674 736 A CB 1.255 20.265 19.000 0.018 0.000 1.277 736 A HN 0.207 nan 8.150 nan 0.000 0.419 737 I N 0.424 120.939 120.570 -0.092 0.000 2.740 737 I HA 0.768 4.944 4.170 0.009 0.000 0.303 737 I C -2.609 173.342 176.117 -0.277 0.000 1.044 737 I CA -2.608 58.612 61.300 -0.134 0.000 1.064 737 I CB 2.717 40.668 38.000 -0.083 0.000 1.249 737 I HN 0.438 nan 8.210 nan 0.000 0.433 738 P HA 0.274 nan 4.420 nan 0.000 0.280 738 P C -1.541 175.622 177.300 -0.229 0.000 1.244 738 P CA 0.198 63.148 63.100 -0.249 0.000 0.784 738 P CB 0.319 31.930 31.700 -0.149 0.000 0.913 739 H N 1.037 120.130 119.070 0.039 0.000 2.487 739 H HA 0.481 5.042 4.556 0.009 0.000 0.333 739 H C -0.135 175.218 175.328 0.041 0.000 1.114 739 H CA -0.828 55.239 56.048 0.032 0.000 1.310 739 H CB 1.126 30.909 29.762 0.035 0.000 1.462 739 H HN 0.273 nan 8.280 nan 0.000 0.516 740 L N 2.082 123.406 121.223 0.169 0.000 2.346 740 L HA 0.522 4.867 4.340 0.009 0.000 0.276 740 L C -0.682 176.257 176.870 0.115 0.000 1.006 740 L CA -0.034 54.876 54.840 0.115 0.000 0.817 740 L CB 1.966 44.051 42.059 0.043 0.000 1.272 740 L HN 0.637 nan 8.230 nan 0.000 0.421 741 T N 3.114 117.744 114.554 0.127 0.000 2.893 741 T HA 0.754 5.110 4.350 0.009 0.000 0.293 741 T C -0.782 174.000 174.700 0.137 0.000 1.027 741 T CA -0.394 61.766 62.100 0.100 0.000 0.988 741 T CB 1.656 70.568 68.868 0.073 0.000 1.043 741 T HN 0.768 nan 8.240 nan 0.000 0.461 742 T N 1.588 116.205 114.554 0.105 0.000 2.907 742 T HA 0.899 5.254 4.350 0.009 0.000 0.290 742 T C -0.515 174.195 174.700 0.018 0.000 1.066 742 T CA -0.866 61.296 62.100 0.104 0.000 1.012 742 T CB 1.749 70.710 68.868 0.154 0.000 1.184 742 T HN 0.783 nan 8.240 nan 0.000 0.522 743 S N -0.357 115.310 115.700 -0.055 0.000 2.703 743 S HA 0.368 4.844 4.470 0.009 0.000 0.273 743 S C 0.494 175.011 174.600 -0.137 0.000 1.178 743 S CA -0.611 57.545 58.200 -0.073 0.000 0.838 743 S CB 1.377 64.545 63.200 -0.053 0.000 1.178 743 S HN 0.898 nan 8.310 nan 0.000 0.494 744 E N -0.463 119.675 120.200 -0.104 0.000 2.442 744 E HA 0.031 4.386 4.350 0.009 0.000 0.195 744 E C 0.891 177.403 176.600 -0.147 0.000 1.030 744 E CA 0.229 56.557 56.400 -0.121 0.000 0.869 744 E CB -0.128 29.529 29.700 -0.072 0.000 0.857 744 E HN 0.445 nan 8.360 nan 0.000 0.505 745 M N 1.615 121.138 119.600 -0.129 0.000 2.325 745 M HA 0.123 4.608 4.480 0.009 0.000 0.265 745 M C 0.445 176.662 176.300 -0.138 0.000 1.094 745 M CA 1.126 56.366 55.300 -0.101 0.000 1.161 745 M CB -0.303 32.270 32.600 -0.045 0.000 1.358 745 M HN 0.256 nan 8.290 nan 0.000 0.446 746 D N -2.471 117.815 120.400 -0.190 0.000 2.692 746 D HA 0.275 4.920 4.640 0.009 0.000 0.303 746 D C -1.384 174.762 176.300 -0.257 0.000 1.278 746 D CA -0.540 53.352 54.000 -0.180 0.000 0.852 746 D CB 1.458 42.278 40.800 0.033 0.000 1.375 746 D HN 0.026 nan 8.370 nan 0.000 0.453 747 F N -0.272 119.758 119.950 0.133 0.000 2.508 747 F HA 0.534 5.067 4.527 0.009 0.000 0.325 747 F C -0.177 175.745 175.800 0.203 0.000 1.090 747 F CA -0.613 57.458 58.000 0.118 0.000 0.945 747 F CB 2.125 41.161 39.000 0.061 0.000 1.156 747 F HN 0.299 nan 8.300 nan 0.000 0.463 748 C N 3.690 123.215 119.300 0.376 0.000 2.547 748 C HA 0.715 5.180 4.460 0.009 0.000 0.313 748 C C -0.682 174.485 174.990 0.295 0.000 1.191 748 C CA -0.856 58.364 59.018 0.337 0.000 1.474 748 C CB 1.155 29.025 27.740 0.217 0.000 2.081 748 C HN 0.491 nan 8.230 nan 0.000 0.476 749 I N 3.592 124.390 120.570 0.381 0.000 2.474 749 I HA 0.575 4.751 4.170 0.009 0.000 0.294 749 I C -0.405 175.971 176.117 0.432 0.000 1.005 749 I CA -0.123 61.367 61.300 0.317 0.000 1.113 749 I CB 1.659 39.763 38.000 0.173 0.000 1.289 749 I HN 0.636 nan 8.210 nan 0.000 0.436 750 E N 6.940 127.325 120.200 0.308 0.000 2.292 750 E HA 0.747 5.103 4.350 0.009 0.000 0.272 750 E C -1.367 175.374 176.600 0.235 0.000 0.881 750 E CA -0.952 55.628 56.400 0.300 0.000 0.754 750 E CB 2.620 32.431 29.700 0.185 0.000 1.201 750 E HN 0.528 nan 8.360 nan 0.000 0.425 751 L N 1.208 122.591 121.223 0.267 0.000 2.710 751 L HA 0.537 4.882 4.340 0.009 0.000 0.262 751 L C 0.423 177.376 176.870 0.138 0.000 0.940 751 L CA 0.729 55.674 54.840 0.174 0.000 0.944 751 L CB 1.393 43.576 42.059 0.208 0.000 1.348 751 L HN 0.878 nan 8.230 nan 0.000 0.425 752 G N 4.238 113.087 108.800 0.080 0.000 2.591 752 G HA2 -0.426 3.540 3.960 0.009 0.000 0.298 752 G HA3 -0.426 3.540 3.960 0.009 0.000 0.298 752 G C 0.418 175.326 174.900 0.015 0.000 1.195 752 G CA 0.766 45.893 45.100 0.044 0.000 0.989 752 G HN 1.075 nan 8.290 nan 0.000 0.551 753 N N 0.980 119.668 118.700 -0.019 0.000 2.325 753 N HA 0.123 4.868 4.740 0.009 0.000 0.182 753 N C 0.657 176.108 175.510 -0.097 0.000 1.088 753 N CA 0.808 53.828 53.050 -0.050 0.000 0.879 753 N CB 0.098 38.556 38.487 -0.049 0.000 0.983 753 N HN 0.724 nan 8.380 nan 0.000 0.471 754 K N 1.092 121.414 120.400 -0.130 0.000 2.412 754 K HA 0.200 4.525 4.320 0.009 0.000 0.281 754 K C -0.063 176.322 176.600 -0.359 0.000 1.027 754 K CA 0.134 56.202 56.287 -0.365 0.000 0.989 754 K CB 0.915 33.166 32.500 -0.415 0.000 0.935 754 K HN 0.057 nan 8.250 nan 0.000 0.475 755 R N 3.553 123.721 120.500 -0.553 0.000 2.523 755 R HA 0.184 4.529 4.340 0.009 0.000 0.278 755 R C -1.274 175.006 176.300 -0.033 0.000 1.150 755 R CA -0.510 55.523 56.100 -0.113 0.000 0.987 755 R CB 1.001 31.272 30.300 -0.048 0.000 1.232 755 R HN 0.662 nan 8.270 nan 0.000 0.424 756 W N 2.046 123.491 121.300 0.242 0.000 2.767 756 W HA 0.471 5.137 4.660 0.009 0.000 0.375 756 W C -0.120 176.578 176.519 0.300 0.000 1.461 756 W CA -0.607 56.852 57.345 0.189 0.000 1.415 756 W CB 1.403 30.964 29.460 0.168 0.000 1.581 756 W HN 0.452 nan 8.180 nan 0.000 0.672 757 Q N 0.991 121.020 119.800 0.383 0.000 2.507 757 Q HA 0.243 4.588 4.340 0.009 0.000 0.242 757 Q C -2.428 173.663 176.000 0.153 0.000 0.911 757 Q CA -0.383 55.653 55.803 0.389 0.000 1.019 757 Q CB 0.909 29.896 28.738 0.414 0.000 1.523 757 Q HN 0.284 nan 8.270 nan 0.000 0.459 758 F N 2.131 122.208 119.950 0.211 0.000 2.469 758 F HA 0.416 4.949 4.527 0.009 0.000 0.332 758 F C 0.615 176.494 175.800 0.131 0.000 1.103 758 F CA -0.855 57.241 58.000 0.160 0.000 0.979 758 F CB 1.668 40.755 39.000 0.146 0.000 1.137 758 F HN 0.515 nan 8.300 nan 0.000 0.463 759 N N 3.830 122.671 118.700 0.235 0.000 2.415 759 N HA 0.072 4.817 4.740 0.009 0.000 0.250 759 N C 1.018 176.567 175.510 0.065 0.000 1.127 759 N CA -0.102 53.020 53.050 0.119 0.000 0.945 759 N CB 0.507 39.054 38.487 0.099 0.000 1.196 759 N HN 0.680 nan 8.380 nan 0.000 0.499 760 R N 2.383 122.859 120.500 -0.040 0.000 2.185 760 R HA -0.232 4.114 4.340 0.009 0.000 0.247 760 R C 1.356 177.611 176.300 -0.074 0.000 1.159 760 R CA 1.574 57.602 56.100 -0.120 0.000 0.988 760 R CB 0.039 30.127 30.300 -0.354 0.000 0.871 760 R HN 0.639 nan 8.270 nan 0.000 0.458 761 Q N 0.395 120.166 119.800 -0.049 0.000 1.922 761 Q HA -0.110 4.235 4.340 0.009 0.000 0.201 761 Q C 2.438 178.410 176.000 -0.047 0.000 0.979 761 Q CA 1.952 57.731 55.803 -0.039 0.000 0.841 761 Q CB -0.221 28.509 28.738 -0.012 0.000 0.903 761 Q HN 0.345 nan 8.270 nan 0.000 0.431 762 S N -0.708 114.985 115.700 -0.011 0.000 2.359 762 S HA -0.105 4.370 4.470 0.009 0.000 0.224 762 S C 1.613 176.108 174.600 -0.176 0.000 1.035 762 S CA 1.353 59.547 58.200 -0.010 0.000 1.018 762 S CB -0.618 62.647 63.200 0.108 0.000 0.876 762 S HN 0.714 nan 8.310 nan 0.000 0.448 763 G N -0.151 108.549 108.800 -0.167 0.000 2.144 763 G HA2 -0.146 3.820 3.960 0.009 0.000 0.218 763 G HA3 -0.146 3.820 3.960 0.009 0.000 0.218 763 G C -0.069 174.705 174.900 -0.211 0.000 0.988 763 G CA 0.043 45.009 45.100 -0.223 0.000 0.659 763 G HN 0.558 nan 8.290 nan 0.000 0.522 764 F N -0.787 119.357 119.950 0.323 0.000 2.556 764 F HA 0.685 5.218 4.527 0.009 0.000 0.327 764 F C 0.512 176.341 175.800 0.049 0.000 1.059 764 F CA -1.514 56.630 58.000 0.240 0.000 0.953 764 F CB 1.522 40.627 39.000 0.176 0.000 1.227 764 F HN 0.030 nan 8.300 nan 0.000 0.478 765 L N 1.642 122.909 121.223 0.074 0.000 2.530 765 L HA 0.156 4.502 4.340 0.009 0.000 0.273 765 L C 0.638 177.421 176.870 -0.145 0.000 1.141 765 L CA 0.831 55.380 54.840 -0.485 0.000 0.905 765 L CB 0.461 42.171 42.059 -0.583 0.000 1.202 765 L HN 0.656 nan 8.230 nan 0.000 0.473 766 S N 2.494 118.116 115.700 -0.129 0.000 2.486 766 S HA 0.147 4.623 4.470 0.009 0.000 0.220 766 S C 0.277 174.787 174.600 -0.150 0.000 1.011 766 S CA 0.330 58.501 58.200 -0.050 0.000 0.921 766 S CB -0.006 63.205 63.200 0.020 0.000 0.785 766 S HN 0.765 nan 8.310 nan 0.000 0.517 767 Q N -0.389 119.269 119.800 -0.236 0.000 2.776 767 Q HA 0.606 4.952 4.340 0.009 0.000 0.289 767 Q C -1.716 173.976 176.000 -0.514 0.000 0.912 767 Q CA -0.452 55.080 55.803 -0.452 0.000 0.789 767 Q CB 1.240 29.593 28.738 -0.642 0.000 1.498 767 Q HN 0.212 nan 8.270 nan 0.000 0.408 768 M N 1.427 120.550 119.600 -0.795 0.000 2.365 768 M HA 0.686 5.171 4.480 0.009 0.000 0.288 768 M C -2.143 173.783 176.300 -0.623 0.000 1.152 768 M CA -0.165 54.791 55.300 -0.573 0.000 0.948 768 M CB 1.563 33.836 32.600 -0.546 0.000 1.729 768 M HN 0.592 nan 8.290 nan 0.000 0.487 769 W N 4.825 125.916 121.300 -0.349 0.000 2.844 769 W HA 0.625 5.291 4.660 0.009 0.000 0.340 769 W C -1.321 174.998 176.519 -0.334 0.000 1.093 769 W CA -0.878 56.309 57.345 -0.263 0.000 1.212 769 W CB 1.876 31.224 29.460 -0.187 0.000 1.422 769 W HN 0.533 nan 8.180 nan 0.000 0.515 770 I N 2.991 123.560 120.570 -0.001 0.000 2.595 770 I HA 0.389 4.564 4.170 0.009 0.000 0.275 770 I C 0.675 176.783 176.117 -0.016 0.000 1.092 770 I CA 0.277 61.525 61.300 -0.087 0.000 1.145 770 I CB 0.657 38.579 38.000 -0.130 0.000 1.276 770 I HN 0.689 nan 8.210 nan 0.000 0.497 771 G N 4.693 113.489 108.800 -0.007 0.000 2.553 771 G HA2 -0.284 3.681 3.960 0.009 0.000 0.242 771 G HA3 -0.284 3.681 3.960 0.009 0.000 0.242 771 G C 0.272 175.207 174.900 0.059 0.000 1.277 771 G CA 0.235 45.335 45.100 0.001 0.000 0.910 771 G HN 0.636 nan 8.290 nan 0.000 0.576 772 D N 0.965 121.393 120.400 0.047 0.000 2.378 772 D HA 0.128 4.774 4.640 0.009 0.000 0.227 772 D C 0.912 177.315 176.300 0.172 0.000 1.012 772 D CA 1.106 55.156 54.000 0.083 0.000 0.905 772 D CB -0.176 40.644 40.800 0.034 0.000 0.895 772 D HN 0.734 nan 8.370 nan 0.000 0.532 773 K N 0.184 120.670 120.400 0.143 0.000 2.130 773 K HA 0.500 4.826 4.320 0.009 0.000 0.268 773 K C -0.141 176.478 176.600 0.032 0.000 0.983 773 K CA -0.738 55.596 56.287 0.078 0.000 0.893 773 K CB 1.803 34.306 32.500 0.005 0.000 1.066 773 K HN -0.247 nan 8.250 nan 0.000 0.450 774 K N 1.117 121.439 120.400 -0.130 0.000 2.106 774 K HA 0.205 4.530 4.320 0.009 0.000 0.246 774 K C 0.461 176.907 176.600 -0.257 0.000 0.987 774 K CA -0.422 55.614 56.287 -0.418 0.000 0.904 774 K CB 1.115 33.350 32.500 -0.443 0.000 1.071 774 K HN 0.496 nan 8.250 nan 0.000 0.453 775 Q N 0.351 119.973 119.800 -0.295 0.000 2.586 775 Q HA 0.229 4.575 4.340 0.009 0.000 0.243 775 Q C 0.174 176.108 176.000 -0.111 0.000 0.846 775 Q CA 0.271 56.009 55.803 -0.108 0.000 0.959 775 Q CB 0.355 29.084 28.738 -0.016 0.000 1.227 775 Q HN 0.447 nan 8.270 nan 0.000 0.611 776 L N 1.960 123.070 121.223 -0.187 0.000 2.436 776 L HA 0.199 4.544 4.340 0.009 0.000 0.265 776 L C 1.278 178.028 176.870 -0.201 0.000 1.168 776 L CA 0.034 54.773 54.840 -0.168 0.000 0.815 776 L CB 0.526 42.481 42.059 -0.173 0.000 1.109 776 L HN 0.119 nan 8.230 nan 0.000 0.462 777 L N 0.016 121.111 121.223 -0.213 0.000 2.840 777 L HA 0.236 4.581 4.340 0.009 0.000 0.249 777 L C 0.285 177.037 176.870 -0.196 0.000 1.119 777 L CA 0.443 55.158 54.840 -0.207 0.000 0.930 777 L CB 0.864 42.777 42.059 -0.244 0.000 1.295 777 L HN 0.580 nan 8.230 nan 0.000 0.534 778 T N 1.613 116.034 114.554 -0.220 0.000 2.916 778 T HA 0.434 4.790 4.350 0.009 0.000 0.298 778 T C -2.593 172.046 174.700 -0.101 0.000 1.031 778 T CA -1.116 60.886 62.100 -0.163 0.000 0.993 778 T CB 2.786 71.510 68.868 -0.239 0.000 1.045 778 T HN -0.183 nan 8.240 nan 0.000 0.454 779 P HA 0.189 nan 4.420 nan 0.000 0.270 779 P C -0.776 176.518 177.300 -0.010 0.000 1.227 779 P CA -0.636 62.464 63.100 0.000 0.000 0.788 779 P CB 0.502 32.250 31.700 0.080 0.000 0.926 780 L N 2.378 123.622 121.223 0.035 0.000 2.255 780 L HA 0.395 4.740 4.340 0.009 0.000 0.289 780 L C -0.032 176.756 176.870 -0.136 0.000 1.046 780 L CA 0.019 54.877 54.840 0.031 0.000 0.816 780 L CB 0.097 42.277 42.059 0.202 0.000 1.197 780 L HN 0.315 nan 8.230 nan 0.000 0.427 781 R N 2.289 122.586 120.500 -0.339 0.000 2.854 781 R HA 0.588 4.933 4.340 0.009 0.000 0.271 781 R C -1.109 174.951 176.300 -0.400 0.000 0.994 781 R CA -0.995 54.662 56.100 -0.738 0.000 0.945 781 R CB 0.883 30.667 30.300 -0.861 0.000 1.194 781 R HN 0.492 nan 8.270 nan 0.000 0.476 782 D N 0.897 121.079 120.400 -0.364 0.000 2.399 782 D HA 0.099 4.744 4.640 0.009 0.000 0.241 782 D C -0.527 175.288 176.300 -0.809 0.000 1.133 782 D CA 0.083 53.778 54.000 -0.508 0.000 0.890 782 D CB 0.671 41.200 40.800 -0.452 0.000 1.201 782 D HN 0.316 nan 8.370 nan 0.000 0.432 783 Q N 0.910 120.062 119.800 -1.080 0.000 2.331 783 Q HA 0.431 4.777 4.340 0.009 0.000 0.272 783 Q C -1.448 173.808 176.000 -1.239 0.000 1.062 783 Q CA -0.646 54.595 55.803 -0.937 0.000 0.806 783 Q CB 0.899 29.339 28.738 -0.497 0.000 1.312 783 Q HN 0.552 nan 8.270 nan 0.000 0.431 784 F N 0.631 120.193 119.950 -0.647 0.000 2.825 784 F HA 0.230 4.762 4.527 0.009 0.000 0.322 784 F C 0.450 175.798 175.800 -0.753 0.000 1.127 784 F CA -0.276 57.243 58.000 -0.802 0.000 1.164 784 F CB 1.244 39.485 39.000 -1.265 0.000 1.101 784 F HN 0.500 nan 8.300 nan 0.000 0.529 785 T N -0.491 113.750 114.554 -0.523 0.000 2.883 785 T HA 0.870 5.225 4.350 0.009 0.000 0.284 785 T C -0.550 173.874 174.700 -0.460 0.000 1.041 785 T CA -0.936 60.791 62.100 -0.622 0.000 1.007 785 T CB 2.619 71.114 68.868 -0.621 0.000 1.220 785 T HN 0.296 nan 8.240 nan 0.000 0.552 786 R N -0.606 119.686 120.500 -0.346 0.000 2.561 786 R HA 0.691 5.036 4.340 0.009 0.000 0.266 786 R C -1.048 175.284 176.300 0.052 0.000 1.091 786 R CA -1.047 54.967 56.100 -0.143 0.000 0.927 786 R CB 1.073 31.280 30.300 -0.154 0.000 1.240 786 R HN 0.881 nan 8.270 nan 0.000 0.449 787 A N 4.290 127.132 122.820 0.037 0.000 2.526 787 A HA 0.283 4.609 4.320 0.009 0.000 0.267 787 A C -1.975 175.666 177.584 0.094 0.000 1.095 787 A CA -1.006 51.063 52.037 0.054 0.000 0.775 787 A CB -0.587 18.395 19.000 -0.030 0.000 1.036 787 A HN 0.558 nan 8.150 nan 0.000 0.510 788 P HA 0.084 nan 4.420 nan 0.000 0.264 788 P C -0.065 177.329 177.300 0.158 0.000 1.183 788 P CA 0.326 63.562 63.100 0.228 0.000 0.763 788 P CB 0.349 32.221 31.700 0.286 0.000 0.807 789 L N 2.453 123.727 121.223 0.085 0.000 2.475 789 L HA 0.129 4.474 4.340 0.009 0.000 0.253 789 L C 1.828 178.683 176.870 -0.024 0.000 1.198 789 L CA -0.160 54.667 54.840 -0.022 0.000 0.814 789 L CB 0.040 42.032 42.059 -0.113 0.000 1.134 789 L HN 0.379 nan 8.230 nan 0.000 0.478 790 D N 0.124 120.454 120.400 -0.118 0.000 2.178 790 D HA -0.138 4.508 4.640 0.009 0.000 0.201 790 D C 1.440 177.685 176.300 -0.091 0.000 0.980 790 D CA 1.122 55.007 54.000 -0.192 0.000 0.842 790 D CB 0.198 40.836 40.800 -0.269 0.000 0.948 790 D HN 0.482 nan 8.370 nan 0.000 0.472 791 N N 1.154 119.825 118.700 -0.049 0.000 2.331 791 N HA -0.104 4.641 4.740 0.009 0.000 0.180 791 N C 1.231 176.762 175.510 0.036 0.000 1.019 791 N CA 0.724 53.771 53.050 -0.006 0.000 0.881 791 N CB -0.121 38.356 38.487 -0.016 0.000 0.972 791 N HN 0.247 nan 8.380 nan 0.000 0.435 792 D N 0.889 121.315 120.400 0.043 0.000 2.103 792 D HA -0.005 4.641 4.640 0.009 0.000 0.199 792 D C 2.137 178.470 176.300 0.055 0.000 0.978 792 D CA 0.533 54.587 54.000 0.090 0.000 0.829 792 D CB -0.067 40.843 40.800 0.184 0.000 0.981 792 D HN 0.273 nan 8.370 nan 0.000 0.464 793 I N 0.431 121.018 120.570 0.028 0.000 2.162 793 I HA -0.016 4.159 4.170 0.009 0.000 0.238 793 I C 1.969 178.081 176.117 -0.008 0.000 1.076 793 I CA 1.062 62.358 61.300 -0.007 0.000 1.353 793 I CB -0.682 37.273 38.000 -0.074 0.000 1.063 793 I HN 0.146 nan 8.210 nan 0.000 0.408 794 G N 0.943 109.746 108.800 0.005 0.000 2.523 794 G HA2 -0.333 3.633 3.960 0.009 0.000 0.271 794 G HA3 -0.333 3.633 3.960 0.009 0.000 0.271 794 G C 0.518 175.547 174.900 0.214 0.000 1.146 794 G CA 0.609 45.780 45.100 0.117 0.000 0.961 794 G HN 0.703 nan 8.290 nan 0.000 0.549 795 V N -1.583 118.459 119.914 0.213 0.000 3.170 795 V HA 0.701 4.827 4.120 0.009 0.000 0.354 795 V C 0.858 177.000 176.094 0.080 0.000 1.350 795 V CA 1.047 63.471 62.300 0.208 0.000 1.244 795 V CB 0.189 32.081 31.823 0.115 0.000 1.222 795 V HN 1.034 nan 8.190 nan 0.000 0.478 796 S N 1.118 116.841 115.700 0.038 0.000 2.545 796 S HA 0.594 5.070 4.470 0.009 0.000 0.275 796 S C -0.285 174.316 174.600 0.001 0.000 1.299 796 S CA -0.152 58.051 58.200 0.005 0.000 1.048 796 S CB 1.104 64.297 63.200 -0.012 0.000 0.938 796 S HN 0.851 nan 8.310 nan 0.000 0.496 797 E N 0.966 121.167 120.200 0.002 0.000 2.383 797 E HA 0.588 4.944 4.350 0.009 0.000 0.275 797 E C 0.240 176.843 176.600 0.006 0.000 0.918 797 E CA -0.501 55.903 56.400 0.006 0.000 0.764 797 E CB 1.375 31.081 29.700 0.011 0.000 1.252 797 E HN 0.556 nan 8.360 nan 0.000 0.449 798 A N 1.367 124.194 122.820 0.012 0.000 1.978 798 A HA -0.171 4.154 4.320 0.009 0.000 0.220 798 A C 1.761 179.351 177.584 0.009 0.000 1.170 798 A CA 2.379 54.422 52.037 0.011 0.000 0.636 798 A CB -0.824 18.186 19.000 0.016 0.000 0.810 798 A HN 0.715 nan 8.150 nan 0.000 0.448 799 T N -0.631 113.929 114.554 0.010 0.000 2.595 799 T HA -0.109 4.247 4.350 0.009 0.000 0.264 799 T C 1.195 175.895 174.700 -0.001 0.000 1.058 799 T CA 1.284 63.388 62.100 0.006 0.000 1.166 799 T CB -0.108 68.763 68.868 0.005 0.000 0.863 799 T HN 0.418 nan 8.240 nan 0.000 0.415 800 R N 0.630 121.127 120.500 -0.005 0.000 2.343 800 R HA 0.556 4.902 4.340 0.009 0.000 0.320 800 R C -1.201 175.091 176.300 -0.013 0.000 0.956 800 R CA -0.407 55.686 56.100 -0.013 0.000 0.836 800 R CB 0.872 31.159 30.300 -0.020 0.000 1.151 800 R HN 0.318 nan 8.270 nan 0.000 0.450 801 I N 2.748 123.309 120.570 -0.016 0.000 2.336 801 I HA 0.075 4.251 4.170 0.009 0.000 0.292 801 I C -0.459 175.640 176.117 -0.031 0.000 0.991 801 I CA -0.425 60.863 61.300 -0.020 0.000 1.227 801 I CB 1.519 39.509 38.000 -0.017 0.000 1.366 801 I HN 0.508 nan 8.210 nan 0.000 0.466 802 D N 9.867 130.245 120.400 -0.036 0.000 2.524 802 D HA 0.210 4.855 4.640 0.009 0.000 0.222 802 D C -1.459 174.794 176.300 -0.078 0.000 1.142 802 D CA -2.299 51.671 54.000 -0.051 0.000 0.973 802 D CB 0.935 41.711 40.800 -0.041 0.000 1.025 802 D HN 0.233 nan 8.370 nan 0.000 0.519 803 P HA -0.169 nan 4.420 nan 0.000 0.218 803 P C 1.060 178.264 177.300 -0.159 0.000 1.146 803 P CA 0.912 63.952 63.100 -0.100 0.000 0.813 803 P CB 0.308 31.960 31.700 -0.081 0.000 0.778 804 N N -0.423 118.175 118.700 -0.170 0.000 2.416 804 N HA 0.011 4.757 4.740 0.009 0.000 0.177 804 N C 0.438 175.746 175.510 -0.337 0.000 1.036 804 N CA -0.077 52.824 53.050 -0.247 0.000 0.901 804 N CB -0.034 38.333 38.487 -0.200 0.000 0.976 804 N HN 0.003 nan 8.380 nan 0.000 0.444 805 A N 0.469 123.144 122.820 -0.242 0.000 2.540 805 A HA -0.043 4.283 4.320 0.009 0.000 0.239 805 A C 0.538 177.911 177.584 -0.352 0.000 1.061 805 A CA -0.276 51.620 52.037 -0.235 0.000 0.758 805 A CB -0.205 18.724 19.000 -0.119 0.000 0.991 805 A HN 0.433 nan 8.150 nan 0.000 0.502 806 W N 2.041 123.081 121.300 -0.433 0.000 2.290 806 W HA -0.252 4.413 4.660 0.009 0.000 0.328 806 W C 2.275 178.198 176.519 -0.994 0.000 1.272 806 W CA 2.085 58.902 57.345 -0.881 0.000 1.262 806 W CB -0.660 28.118 29.460 -1.137 0.000 1.151 806 W HN 0.563 nan 8.180 nan 0.000 0.473 807 V N 0.846 120.588 119.914 -0.287 0.000 2.282 807 V HA -0.321 3.804 4.120 0.009 0.000 0.249 807 V C 2.322 178.454 176.094 0.063 0.000 1.057 807 V CA 2.370 64.711 62.300 0.068 0.000 1.032 807 V CB -0.568 31.354 31.823 0.165 0.000 0.645 807 V HN 0.109 nan 8.190 nan 0.000 0.447 808 E N -0.015 120.154 120.200 -0.051 0.000 2.070 808 E HA -0.241 4.114 4.350 0.009 0.000 0.197 808 E C 2.327 178.893 176.600 -0.057 0.000 1.004 808 E CA 1.625 57.998 56.400 -0.046 0.000 0.805 808 E CB -0.476 29.173 29.700 -0.085 0.000 0.744 808 E HN 0.621 nan 8.360 nan 0.000 0.451 809 R N -0.209 120.181 120.500 -0.182 0.000 2.080 809 R HA -0.153 4.193 4.340 0.009 0.000 0.236 809 R C 2.383 178.641 176.300 -0.070 0.000 1.137 809 R CA 1.532 57.507 56.100 -0.210 0.000 0.943 809 R CB -0.433 29.615 30.300 -0.420 0.000 0.846 809 R HN 0.305 nan 8.270 nan 0.000 0.431 810 W N 1.510 122.811 121.300 0.002 0.000 2.335 810 W HA -0.119 4.547 4.660 0.010 0.000 0.311 810 W C 2.138 178.672 176.519 0.025 0.000 1.213 810 W CA 0.649 57.923 57.345 -0.119 0.000 1.274 810 W CB -0.904 28.580 29.460 0.041 0.000 1.148 810 W HN 0.154 nan 8.180 nan 0.000 0.498 811 K N 0.207 120.876 120.400 0.448 0.000 2.001 811 K HA -0.175 4.151 4.320 0.009 0.000 0.214 811 K C 2.324 179.002 176.600 0.130 0.000 1.050 811 K CA 2.254 58.736 56.287 0.326 0.000 0.934 811 K CB -0.778 31.828 32.500 0.176 0.000 0.718 811 K HN 0.007 nan 8.250 nan 0.000 0.443 812 A N 1.275 124.140 122.820 0.075 0.000 1.917 812 A HA -0.203 4.122 4.320 0.009 0.000 0.219 812 A C 2.297 179.898 177.584 0.027 0.000 1.182 812 A CA 2.164 54.224 52.037 0.039 0.000 0.633 812 A CB -0.866 18.140 19.000 0.010 0.000 0.819 812 A HN 0.405 nan 8.150 nan 0.000 0.448 813 A N -2.061 120.759 122.820 -0.000 0.000 2.209 813 A HA 0.363 4.688 4.320 0.009 0.000 0.212 813 A C 1.911 179.481 177.584 -0.023 0.000 1.158 813 A CA 1.382 53.426 52.037 0.012 0.000 0.742 813 A CB -1.017 17.947 19.000 -0.060 0.000 0.790 813 A HN 2.058 nan 8.150 nan 0.000 0.472 814 G N -1.881 106.802 108.800 -0.194 0.000 2.132 814 G HA2 -0.295 3.671 3.960 0.009 0.000 0.234 814 G HA3 -0.295 3.671 3.960 0.009 0.000 0.234 814 G C 0.543 175.450 174.900 0.012 0.000 0.989 814 G CA 0.648 45.421 45.100 -0.545 0.000 0.676 814 G HN 0.748 nan 8.290 nan 0.000 0.522 815 H N -1.523 117.552 119.070 0.008 0.000 2.387 815 H HA -0.106 4.456 4.556 0.009 0.000 0.299 815 H C 2.228 177.530 175.328 -0.043 0.000 1.099 815 H CA 1.633 57.682 56.048 0.001 0.000 1.315 815 H CB 0.102 29.783 29.762 -0.135 0.000 1.380 815 H HN 0.622 nan 8.280 nan 0.000 0.513 816 Y N 0.871 121.294 120.300 0.206 0.000 2.439 816 Y HA -0.116 4.440 4.550 0.009 0.000 0.292 816 Y C 1.991 177.964 175.900 0.122 0.000 1.130 816 Y CA 0.742 58.919 58.100 0.129 0.000 1.254 816 Y CB 0.387 38.912 38.460 0.108 0.000 1.000 816 Y HN 0.348 nan 8.280 nan 0.000 0.554 817 Q N -0.316 119.636 119.800 0.252 0.000 2.141 817 Q HA 0.454 4.800 4.340 0.009 0.000 0.248 817 Q C 0.292 176.461 176.000 0.281 0.000 0.834 817 Q CA -0.259 55.685 55.803 0.236 0.000 1.096 817 Q CB 0.361 29.225 28.738 0.209 0.000 1.189 817 Q HN 0.152 nan 8.270 nan 0.000 0.471 818 A N 1.690 124.697 122.820 0.313 0.000 2.504 818 A HA 0.102 4.427 4.320 0.009 0.000 0.242 818 A C -0.068 177.761 177.584 0.408 0.000 1.100 818 A CA 0.312 52.597 52.037 0.413 0.000 0.786 818 A CB 0.286 19.637 19.000 0.585 0.000 1.050 818 A HN 0.439 nan 8.150 nan 0.000 0.512 819 E N 0.070 120.477 120.200 0.345 0.000 2.265 819 E HA 0.462 4.817 4.350 0.009 0.000 0.262 819 E C -0.190 176.399 176.600 -0.019 0.000 0.889 819 E CA -0.481 56.035 56.400 0.194 0.000 0.789 819 E CB 1.772 31.560 29.700 0.146 0.000 1.221 819 E HN 0.876 nan 8.360 nan 0.000 0.414 820 A N 2.517 125.226 122.820 -0.185 0.000 2.482 820 A HA 0.538 4.863 4.320 0.009 0.000 0.249 820 A C 0.002 177.460 177.584 -0.210 0.000 1.114 820 A CA 0.520 52.244 52.037 -0.522 0.000 0.797 820 A CB 0.295 19.158 19.000 -0.229 0.000 1.067 820 A HN 0.690 nan 8.150 nan 0.000 0.514 821 A N 0.032 122.739 122.820 -0.189 0.000 2.518 821 A HA 0.497 4.823 4.320 0.009 0.000 0.295 821 A C -0.942 176.557 177.584 -0.142 0.000 1.052 821 A CA -0.485 51.489 52.037 -0.105 0.000 0.824 821 A CB 0.709 19.658 19.000 -0.084 0.000 1.325 821 A HN 1.141 nan 8.150 nan 0.000 0.394 822 L N 4.403 125.517 121.223 -0.182 0.000 2.385 822 L HA 0.314 4.659 4.340 0.009 0.000 0.281 822 L C 0.507 177.256 176.870 -0.202 0.000 1.106 822 L CA 0.142 54.783 54.840 -0.331 0.000 0.856 822 L CB 0.255 42.150 42.059 -0.273 0.000 1.186 822 L HN 0.855 nan 8.230 nan 0.000 0.453 823 L N 3.974 125.082 121.223 -0.193 0.000 2.298 823 L HA 0.184 4.530 4.340 0.009 0.000 0.209 823 L C 0.744 177.563 176.870 -0.086 0.000 1.084 823 L CA 0.242 55.025 54.840 -0.096 0.000 0.816 823 L CB -0.099 41.933 42.059 -0.044 0.000 0.967 823 L HN 0.721 nan 8.230 nan 0.000 0.460 824 Q N -0.689 119.041 119.800 -0.118 0.000 2.578 824 Q HA 0.476 4.821 4.340 0.009 0.000 0.284 824 Q C -1.850 174.094 176.000 -0.092 0.000 0.960 824 Q CA -0.894 54.864 55.803 -0.075 0.000 0.809 824 Q CB 2.686 31.404 28.738 -0.032 0.000 1.462 824 Q HN 0.002 nan 8.270 nan 0.000 0.392 825 C N 2.471 121.756 119.300 -0.025 0.000 2.968 825 C HA 0.681 5.147 4.460 0.009 0.000 0.389 825 C C -1.433 173.614 174.990 0.095 0.000 1.068 825 C CA 0.641 59.676 59.018 0.028 0.000 1.272 825 C CB 0.579 28.347 27.740 0.048 0.000 1.711 825 C HN 0.819 nan 8.230 nan 0.000 0.501 826 T N 2.891 117.432 114.554 -0.022 0.000 2.881 826 T HA 0.772 5.128 4.350 0.009 0.000 0.291 826 T C -0.256 174.213 174.700 -0.385 0.000 0.990 826 T CA 0.000 62.035 62.100 -0.110 0.000 0.976 826 T CB 1.562 70.392 68.868 -0.064 0.000 0.970 826 T HN 1.665 nan 8.240 nan 0.000 0.438 827 A N 3.679 126.080 122.820 -0.699 0.000 2.289 827 A HA 0.654 4.979 4.320 0.009 0.000 0.298 827 A C -0.229 177.131 177.584 -0.373 0.000 1.208 827 A CA -0.589 50.974 52.037 -0.789 0.000 0.845 827 A CB 0.288 18.486 19.000 -1.335 0.000 1.125 827 A HN 0.894 nan 8.150 nan 0.000 0.517 828 D N 0.997 121.229 120.400 -0.280 0.000 2.350 828 D HA 0.567 5.213 4.640 0.009 0.000 0.238 828 D C -0.660 175.553 176.300 -0.145 0.000 0.989 828 D CA 0.068 53.969 54.000 -0.165 0.000 0.921 828 D CB 2.147 42.877 40.800 -0.118 0.000 1.297 828 D HN 0.419 nan 8.370 nan 0.000 0.490 829 T N 1.427 115.924 114.554 -0.095 0.000 2.797 829 T HA 0.503 4.859 4.350 0.009 0.000 0.279 829 T C -0.258 174.406 174.700 -0.060 0.000 0.991 829 T CA -0.608 61.445 62.100 -0.078 0.000 0.979 829 T CB 1.039 69.876 68.868 -0.052 0.000 0.943 829 T HN 0.035 nan 8.240 nan 0.000 0.444 830 L N 1.447 122.633 121.223 -0.062 0.000 2.271 830 L HA 0.695 5.040 4.340 0.009 0.000 0.265 830 L C 1.779 178.625 176.870 -0.040 0.000 1.013 830 L CA -0.795 54.015 54.840 -0.049 0.000 0.820 830 L CB 0.059 42.085 42.059 -0.055 0.000 1.352 830 L HN 0.718 nan 8.230 nan 0.000 0.443 831 A N 0.820 123.621 122.820 -0.032 0.000 1.894 831 A HA -0.234 4.091 4.320 0.009 0.000 0.220 831 A C 1.063 178.629 177.584 -0.030 0.000 1.237 831 A CA 2.615 54.637 52.037 -0.025 0.000 0.660 831 A CB -0.677 18.311 19.000 -0.020 0.000 0.835 831 A HN 0.876 nan 8.150 nan 0.000 0.461 832 D N -2.952 117.424 120.400 -0.040 0.000 2.525 832 D HA 0.554 5.200 4.640 0.009 0.000 0.231 832 D C 0.254 176.511 176.300 -0.070 0.000 1.216 832 D CA 0.628 54.598 54.000 -0.050 0.000 0.813 832 D CB -0.313 40.461 40.800 -0.043 0.000 1.108 832 D HN 0.551 nan 8.370 nan 0.000 0.524 833 A N -0.275 122.499 122.820 -0.076 0.000 2.486 833 A HA 0.796 5.121 4.320 0.009 0.000 0.277 833 A C -1.298 176.216 177.584 -0.116 0.000 1.282 833 A CA -0.690 51.286 52.037 -0.101 0.000 0.784 833 A CB 1.765 20.710 19.000 -0.091 0.000 1.350 833 A HN -0.002 nan 8.150 nan 0.000 0.454 834 V N -0.082 119.741 119.914 -0.151 0.000 2.709 834 V HA 0.508 4.634 4.120 0.009 0.000 0.308 834 V C -1.349 174.625 176.094 -0.199 0.000 1.062 834 V CA -0.241 61.950 62.300 -0.182 0.000 0.901 834 V CB 1.570 33.264 31.823 -0.216 0.000 1.003 834 V HN 0.682 nan 8.190 nan 0.000 0.425 835 L N 5.881 126.978 121.223 -0.210 0.000 2.324 835 L HA 0.561 4.907 4.340 0.009 0.000 0.274 835 L C -0.587 176.112 176.870 -0.284 0.000 1.012 835 L CA -0.071 54.651 54.840 -0.197 0.000 0.859 835 L CB 0.963 42.947 42.059 -0.126 0.000 1.224 835 L HN 0.408 nan 8.230 nan 0.000 0.429 836 I N 2.876 123.249 120.570 -0.329 0.000 2.472 836 I HA 0.410 4.585 4.170 0.009 0.000 0.290 836 I C 0.273 176.301 176.117 -0.149 0.000 1.016 836 I CA -0.142 60.891 61.300 -0.445 0.000 1.348 836 I CB 1.376 38.865 38.000 -0.852 0.000 1.417 836 I HN 0.474 nan 8.210 nan 0.000 0.521 837 T N 4.112 118.590 114.554 -0.127 0.000 3.031 837 T HA 0.477 4.833 4.350 0.009 0.000 0.305 837 T C -0.027 174.702 174.700 0.047 0.000 0.985 837 T CA -0.640 61.467 62.100 0.012 0.000 1.008 837 T CB 1.691 70.548 68.868 -0.019 0.000 1.005 837 T HN 0.814 nan 8.240 nan 0.000 0.444 838 T N -0.083 114.559 114.554 0.146 0.000 2.930 838 T HA 0.907 5.263 4.350 0.009 0.000 0.290 838 T C -0.992 173.785 174.700 0.128 0.000 1.052 838 T CA -1.077 61.094 62.100 0.118 0.000 1.017 838 T CB 2.082 71.086 68.868 0.227 0.000 1.137 838 T HN 0.779 nan 8.240 nan 0.000 0.511 839 A N 1.737 124.569 122.820 0.020 0.000 2.442 839 A HA 0.688 5.014 4.320 0.009 0.000 0.284 839 A C -1.390 176.166 177.584 -0.046 0.000 1.058 839 A CA -0.762 51.317 52.037 0.071 0.000 0.738 839 A CB 0.550 19.581 19.000 0.051 0.000 1.242 839 A HN 0.970 nan 8.150 nan 0.000 0.421 840 H N 0.537 119.666 119.070 0.098 0.000 2.679 840 H HA 0.816 5.378 4.556 0.009 0.000 0.367 840 H C 0.056 175.371 175.328 -0.021 0.000 1.162 840 H CA 0.104 56.110 56.048 -0.070 0.000 1.181 840 H CB 2.085 31.669 29.762 -0.297 0.000 1.693 840 H HN 0.924 nan 8.280 nan 0.000 0.538 841 A N 1.815 124.632 122.820 -0.006 0.000 2.330 841 A HA 0.384 4.710 4.320 0.009 0.000 0.313 841 A C -1.239 176.342 177.584 -0.005 0.000 1.124 841 A CA -0.731 51.357 52.037 0.085 0.000 0.774 841 A CB 0.930 19.966 19.000 0.060 0.000 1.198 841 A HN 0.583 nan 8.150 nan 0.000 0.465 842 W N 2.636 124.016 121.300 0.134 0.000 2.335 842 W HA 0.415 5.080 4.660 0.010 0.000 0.307 842 W C -0.239 176.249 176.519 -0.052 0.000 1.117 842 W CA -0.069 57.331 57.345 0.092 0.000 1.228 842 W CB 1.414 30.974 29.460 0.167 0.000 1.240 842 W HN 0.799 nan 8.180 nan 0.000 0.468 843 Q N 2.270 122.175 119.800 0.175 0.000 2.379 843 Q HA 0.372 4.718 4.340 0.009 0.000 0.278 843 Q C -1.233 174.878 176.000 0.185 0.000 1.068 843 Q CA -0.929 54.940 55.803 0.111 0.000 0.816 843 Q CB 3.378 32.150 28.738 0.056 0.000 1.387 843 Q HN 0.469 nan 8.270 nan 0.000 0.413 844 H N 2.615 121.714 119.070 0.048 0.000 2.970 844 H HA 0.070 4.632 4.556 0.009 0.000 0.315 844 H C -0.606 174.752 175.328 0.050 0.000 0.992 844 H CA -0.155 55.935 56.048 0.071 0.000 1.363 844 H CB 0.835 30.654 29.762 0.094 0.000 1.532 844 H HN 0.819 nan 8.280 nan 0.000 0.514 845 Q N 2.897 122.541 119.800 -0.261 0.000 2.487 845 Q HA -0.159 4.186 4.340 0.009 0.000 0.279 845 Q C 0.672 176.627 176.000 -0.075 0.000 1.228 845 Q CA 0.997 56.673 55.803 -0.212 0.000 0.873 845 Q CB -2.378 26.189 28.738 -0.286 0.000 1.260 845 Q HN 1.126 nan 8.270 nan 0.000 0.471 846 G N -0.095 108.686 108.800 -0.033 0.000 2.298 846 G HA2 -0.243 3.723 3.960 0.009 0.000 0.287 846 G HA3 -0.243 3.723 3.960 0.009 0.000 0.287 846 G C -0.290 174.611 174.900 0.001 0.000 1.075 846 G CA 0.576 45.669 45.100 -0.011 0.000 0.960 846 G HN 0.304 nan 8.290 nan 0.000 0.502 847 K N 0.189 120.596 120.400 0.011 0.000 2.535 847 K HA 0.636 4.961 4.320 0.009 0.000 0.250 847 K C -0.210 176.391 176.600 0.002 0.000 0.948 847 K CA -0.638 55.658 56.287 0.014 0.000 0.796 847 K CB 1.249 33.768 32.500 0.031 0.000 1.216 847 K HN 0.032 nan 8.250 nan 0.000 0.432 848 T N 5.485 120.034 114.554 -0.008 0.000 2.728 848 T HA 0.302 4.657 4.350 0.009 0.000 0.296 848 T C 1.523 176.154 174.700 -0.115 0.000 0.940 848 T CA -0.297 61.789 62.100 -0.023 0.000 1.013 848 T CB 0.512 69.391 68.868 0.018 0.000 0.912 848 T HN 0.450 nan 8.240 nan 0.000 0.484 849 L N 2.747 123.799 121.223 -0.285 0.000 2.049 849 L HA 0.265 4.611 4.340 0.009 0.000 0.203 849 L C -0.002 176.375 176.870 -0.822 0.000 1.074 849 L CA 1.211 55.603 54.840 -0.747 0.000 0.749 849 L CB 0.059 41.297 42.059 -1.368 0.000 0.907 849 L HN 0.555 nan 8.230 nan 0.000 0.439 850 F N -1.896 118.034 119.950 -0.034 0.000 2.650 850 F HA 0.584 5.117 4.527 0.009 0.000 0.320 850 F C -0.624 175.283 175.800 0.179 0.000 1.091 850 F CA -0.970 56.974 58.000 -0.094 0.000 0.962 850 F CB 1.799 40.415 39.000 -0.639 0.000 1.363 850 F HN -0.371 nan 8.300 nan 0.000 0.482 851 I N 0.915 121.741 120.570 0.427 0.000 2.571 851 I HA 0.337 4.512 4.170 0.009 0.000 0.289 851 I C -1.018 175.389 176.117 0.483 0.000 1.115 851 I CA -0.333 61.225 61.300 0.431 0.000 1.045 851 I CB 2.332 40.492 38.000 0.265 0.000 1.238 851 I HN 0.527 nan 8.210 nan 0.000 0.424 852 S N 6.779 122.857 115.700 0.631 0.000 2.566 852 S HA 0.616 5.092 4.470 0.009 0.000 0.324 852 S C -0.704 174.159 174.600 0.439 0.000 1.081 852 S CA -0.758 57.790 58.200 0.580 0.000 1.105 852 S CB 0.443 64.123 63.200 0.799 0.000 0.981 852 S HN 0.557 nan 8.310 nan 0.000 0.464 853 R N 3.663 124.342 120.500 0.299 0.000 2.460 853 R HA 0.670 5.016 4.340 0.009 0.000 0.303 853 R C -0.700 175.702 176.300 0.170 0.000 0.968 853 R CA -0.956 55.279 56.100 0.225 0.000 0.889 853 R CB 1.558 31.958 30.300 0.167 0.000 1.123 853 R HN 0.492 nan 8.270 nan 0.000 0.455 854 K N 0.709 121.210 120.400 0.170 0.000 2.536 854 K HA 0.388 4.713 4.320 0.009 0.000 0.269 854 K C -1.230 175.435 176.600 0.109 0.000 0.965 854 K CA -0.823 55.520 56.287 0.093 0.000 0.860 854 K CB 2.827 35.414 32.500 0.145 0.000 1.423 854 K HN 0.766 nan 8.250 nan 0.000 0.438 855 T N -0.742 113.821 114.554 0.014 0.000 3.031 855 T HA 0.470 4.826 4.350 0.009 0.000 0.305 855 T C -1.317 173.400 174.700 0.029 0.000 0.985 855 T CA -0.739 61.401 62.100 0.067 0.000 1.008 855 T CB 0.115 68.996 68.868 0.022 0.000 1.005 855 T HN 0.294 nan 8.240 nan 0.000 0.444 856 Y N 2.105 122.388 120.300 -0.028 0.000 2.320 856 Y HA 0.673 5.229 4.550 0.009 0.000 0.334 856 Y C 0.797 176.628 175.900 -0.114 0.000 1.055 856 Y CA -1.627 56.463 58.100 -0.017 0.000 1.143 856 Y CB 1.312 39.823 38.460 0.084 0.000 1.193 856 Y HN 0.792 nan 8.280 nan 0.000 0.477 857 R N 4.339 124.870 120.500 0.052 0.000 2.487 857 R HA 0.496 4.842 4.340 0.009 0.000 0.288 857 R C -1.581 174.662 176.300 -0.095 0.000 1.394 857 R CA -0.175 55.899 56.100 -0.045 0.000 1.155 857 R CB 0.040 30.322 30.300 -0.030 0.000 1.156 857 R HN 0.746 nan 8.270 nan 0.000 0.553 858 I N 3.598 124.049 120.570 -0.198 0.000 2.581 858 I HA 0.190 4.366 4.170 0.009 0.000 0.288 858 I C 0.159 176.143 176.117 -0.222 0.000 1.047 858 I CA -0.212 60.903 61.300 -0.309 0.000 1.374 858 I CB 0.947 38.600 38.000 -0.577 0.000 1.423 858 I HN 0.690 nan 8.210 nan 0.000 0.549 859 D N 3.463 123.755 120.400 -0.180 0.000 2.566 859 D HA 0.205 4.850 4.640 0.009 0.000 0.254 859 D C 0.777 177.018 176.300 -0.099 0.000 1.090 859 D CA -0.706 53.223 54.000 -0.118 0.000 1.034 859 D CB 1.491 42.245 40.800 -0.076 0.000 1.434 859 D HN 0.573 nan 8.370 nan 0.000 0.509 860 G N -0.688 108.063 108.800 -0.082 0.000 2.653 860 G HA2 -0.098 3.867 3.960 0.009 0.000 0.212 860 G HA3 -0.098 3.867 3.960 0.009 0.000 0.212 860 G C 0.770 175.642 174.900 -0.045 0.000 1.138 860 G CA 0.615 45.676 45.100 -0.066 0.000 0.782 860 G HN 0.396 nan 8.290 nan 0.000 0.535 861 S N -0.393 115.284 115.700 -0.039 0.000 2.548 861 S HA 0.360 4.835 4.470 0.009 0.000 0.215 861 S C 1.582 176.208 174.600 0.043 0.000 0.976 861 S CA 0.390 58.579 58.200 -0.019 0.000 0.908 861 S CB 0.368 63.551 63.200 -0.027 0.000 0.781 861 S HN 1.209 nan 8.310 nan 0.000 0.519 862 G N 2.370 111.213 108.800 0.073 0.000 2.248 862 G HA2 -0.239 3.726 3.960 0.009 0.000 0.263 862 G HA3 -0.239 3.726 3.960 0.009 0.000 0.263 862 G C -0.310 174.721 174.900 0.219 0.000 1.082 862 G CA 0.113 45.347 45.100 0.224 0.000 0.863 862 G HN 0.632 nan 8.290 nan 0.000 0.495 863 Q N -0.243 119.603 119.800 0.075 0.000 2.290 863 Q HA 0.668 5.013 4.340 0.009 0.000 0.269 863 Q C 0.117 176.124 176.000 0.013 0.000 1.016 863 Q CA -1.236 54.615 55.803 0.080 0.000 0.754 863 Q CB 0.961 29.742 28.738 0.072 0.000 1.247 863 Q HN 0.666 nan 8.270 nan 0.000 0.451 864 M N 1.655 121.284 119.600 0.049 0.000 2.264 864 M HA 0.784 5.270 4.480 0.009 0.000 0.352 864 M C -0.658 175.716 176.300 0.124 0.000 1.173 864 M CA -0.723 54.599 55.300 0.035 0.000 1.075 864 M CB 1.788 34.389 32.600 0.001 0.000 1.621 864 M HN 0.534 nan 8.290 nan 0.000 0.457 865 A N 4.884 127.748 122.820 0.074 0.000 2.322 865 A HA 0.685 5.011 4.320 0.009 0.000 0.327 865 A C -0.516 177.075 177.584 0.012 0.000 1.394 865 A CA -0.720 51.355 52.037 0.063 0.000 0.921 865 A CB -0.225 18.800 19.000 0.041 0.000 1.153 865 A HN 0.896 nan 8.150 nan 0.000 0.523 866 I N 1.611 122.176 120.570 -0.009 0.000 2.428 866 I HA 0.309 4.484 4.170 0.009 0.000 0.289 866 I C 0.633 176.622 176.117 -0.213 0.000 1.019 866 I CA 0.368 61.558 61.300 -0.184 0.000 1.351 866 I CB 1.631 39.492 38.000 -0.233 0.000 1.412 866 I HN 0.427 nan 8.210 nan 0.000 0.513 867 T N 5.653 120.041 114.554 -0.276 0.000 2.824 867 T HA 0.663 5.018 4.350 0.009 0.000 0.282 867 T C -0.591 173.879 174.700 -0.384 0.000 0.993 867 T CA -0.429 61.496 62.100 -0.292 0.000 0.967 867 T CB 1.433 70.228 68.868 -0.122 0.000 0.960 867 T HN 0.261 nan 8.240 nan 0.000 0.441 868 V N 3.102 122.650 119.914 -0.610 0.000 2.789 868 V HA 0.608 4.734 4.120 0.009 0.000 0.311 868 V C -1.037 174.894 176.094 -0.272 0.000 1.073 868 V CA -0.961 61.050 62.300 -0.482 0.000 0.921 868 V CB 2.381 33.749 31.823 -0.758 0.000 1.009 868 V HN 0.897 nan 8.190 nan 0.000 0.426 869 D N 1.704 122.110 120.400 0.009 0.000 2.386 869 D HA 0.522 5.168 4.640 0.009 0.000 0.247 869 D C -0.893 175.536 176.300 0.215 0.000 1.336 869 D CA -0.113 53.982 54.000 0.158 0.000 0.976 869 D CB 2.026 42.948 40.800 0.204 0.000 1.257 869 D HN 0.328 nan 8.370 nan 0.000 0.570 870 V N 1.842 121.917 119.914 0.269 0.000 2.612 870 V HA 0.455 4.581 4.120 0.009 0.000 0.301 870 V C 0.161 176.400 176.094 0.243 0.000 1.046 870 V CA -0.577 61.900 62.300 0.295 0.000 0.946 870 V CB 1.934 33.963 31.823 0.344 0.000 1.003 870 V HN 0.443 nan 8.190 nan 0.000 0.459 871 E N 1.743 122.080 120.200 0.228 0.000 2.199 871 E HA 0.673 5.029 4.350 0.009 0.000 0.269 871 E C -1.699 175.029 176.600 0.213 0.000 0.899 871 E CA -0.434 56.075 56.400 0.181 0.000 0.772 871 E CB 2.185 31.977 29.700 0.153 0.000 1.155 871 E HN 0.469 nan 8.360 nan 0.000 0.408 872 V N 2.522 122.556 119.914 0.200 0.000 2.540 872 V HA 0.528 4.653 4.120 0.009 0.000 0.302 872 V C -0.220 175.982 176.094 0.181 0.000 1.035 872 V CA -0.936 61.517 62.300 0.256 0.000 0.873 872 V CB 1.637 33.626 31.823 0.277 0.000 0.992 872 V HN 0.842 nan 8.190 nan 0.000 0.428 873 A N 3.014 125.928 122.820 0.156 0.000 2.454 873 A HA 0.395 4.721 4.320 0.009 0.000 0.260 873 A C 1.657 179.330 177.584 0.148 0.000 1.106 873 A CA 0.577 52.681 52.037 0.112 0.000 0.780 873 A CB 0.474 19.508 19.000 0.056 0.000 1.044 873 A HN 1.359 nan 8.150 nan 0.000 0.498 874 S N 1.823 117.595 115.700 0.120 0.000 2.400 874 S HA -0.229 4.247 4.470 0.009 0.000 0.234 874 S C 0.863 175.553 174.600 0.152 0.000 1.049 874 S CA 1.970 60.248 58.200 0.131 0.000 1.039 874 S CB -0.486 62.767 63.200 0.088 0.000 0.856 874 S HN 0.837 nan 8.310 nan 0.000 0.465 875 D N 0.104 120.576 120.400 0.119 0.000 2.587 875 D HA 0.270 4.916 4.640 0.009 0.000 0.233 875 D C -0.010 176.358 176.300 0.114 0.000 1.213 875 D CA -0.190 53.872 54.000 0.103 0.000 0.827 875 D CB -0.170 40.669 40.800 0.065 0.000 1.006 875 D HN 0.199 nan 8.370 nan 0.000 0.490 876 T N 0.963 115.626 114.554 0.180 0.000 2.841 876 T HA 0.456 4.811 4.350 0.009 0.000 0.283 876 T C -2.740 172.138 174.700 0.296 0.000 1.000 876 T CA -2.087 60.149 62.100 0.228 0.000 0.977 876 T CB 1.317 70.362 68.868 0.294 0.000 0.979 876 T HN -0.151 nan 8.240 nan 0.000 0.446 877 P HA 0.069 nan 4.420 nan 0.000 0.264 877 P C -0.495 177.153 177.300 0.580 0.000 1.183 877 P CA -0.087 63.159 63.100 0.243 0.000 0.763 877 P CB 0.130 31.932 31.700 0.169 0.000 0.807 878 H N 3.022 122.465 119.070 0.621 0.000 3.004 878 H HA 0.087 4.649 4.556 0.009 0.000 0.316 878 H C -1.917 173.689 175.328 0.464 0.000 1.014 878 H CA -2.218 54.124 56.048 0.492 0.000 1.454 878 H CB -1.099 28.875 29.762 0.355 0.000 1.472 878 H HN 0.303 nan 8.280 nan 0.000 0.571 879 P HA -0.050 nan 4.420 nan 0.000 0.264 879 P C 0.590 177.717 177.300 -0.289 0.000 1.179 879 P CA 0.184 63.231 63.100 -0.089 0.000 0.763 879 P CB 0.547 32.074 31.700 -0.288 0.000 0.806 880 A N 3.952 126.345 122.820 -0.710 0.000 1.972 880 A HA -0.109 4.217 4.320 0.009 0.000 0.219 880 A C 1.055 178.236 177.584 -0.672 0.000 1.169 880 A CA 1.623 53.218 52.037 -0.738 0.000 0.635 880 A CB -0.530 17.843 19.000 -1.045 0.000 0.810 880 A HN 0.758 nan 8.150 nan 0.000 0.446 881 R N -3.194 116.939 120.500 -0.612 0.000 2.756 881 R HA 0.736 5.081 4.340 0.009 0.000 0.273 881 R C -1.843 174.196 176.300 -0.435 0.000 1.030 881 R CA -0.804 54.970 56.100 -0.542 0.000 0.887 881 R CB 0.617 30.528 30.300 -0.648 0.000 1.274 881 R HN 0.035 nan 8.270 nan 0.000 0.461 882 I N 0.906 121.258 120.570 -0.363 0.000 2.586 882 I HA 0.589 4.764 4.170 0.009 0.000 0.281 882 I C -0.681 175.231 176.117 -0.342 0.000 1.145 882 I CA -0.332 60.774 61.300 -0.323 0.000 1.073 882 I CB 1.857 39.699 38.000 -0.264 0.000 1.238 882 I HN 1.007 nan 8.210 nan 0.000 0.461 883 G N 5.535 114.067 108.800 -0.446 0.000 2.570 883 G HA2 0.715 4.680 3.960 0.009 0.000 0.310 883 G HA3 0.715 4.680 3.960 0.009 0.000 0.310 883 G C -1.717 172.993 174.900 -0.316 0.000 1.266 883 G CA -0.590 44.290 45.100 -0.368 0.000 0.825 883 G HN 0.278 nan 8.290 nan 0.000 0.483 884 L N 0.548 121.643 121.223 -0.213 0.000 2.256 884 L HA 0.755 5.101 4.340 0.009 0.000 0.261 884 L C -0.190 176.556 176.870 -0.207 0.000 1.022 884 L CA -1.064 53.662 54.840 -0.189 0.000 0.828 884 L CB 2.261 44.279 42.059 -0.069 0.000 1.374 884 L HN 0.842 nan 8.230 nan 0.000 0.436 885 N N -0.079 118.526 118.700 -0.158 0.000 3.185 885 N HA 0.612 5.358 4.740 0.009 0.000 0.238 885 N C -1.489 174.014 175.510 -0.012 0.000 1.451 885 N CA -0.349 52.643 53.050 -0.096 0.000 0.888 885 N CB 2.166 40.605 38.487 -0.081 0.000 1.413 885 N HN 0.970 nan 8.380 nan 0.000 0.511 886 C N -1.223 118.118 119.300 0.067 0.000 3.034 886 C HA 0.555 5.020 4.460 0.009 0.000 0.336 886 C C -1.618 173.265 174.990 -0.178 0.000 1.304 886 C CA -0.850 58.169 59.018 0.002 0.000 1.197 886 C CB 0.823 28.554 27.740 -0.015 0.000 1.373 886 C HN 0.938 nan 8.230 nan 0.000 0.459 887 Q N 1.587 121.061 119.800 -0.545 0.000 2.348 887 Q HA 0.721 5.066 4.340 0.009 0.000 0.265 887 Q C -1.079 174.656 176.000 -0.440 0.000 0.998 887 Q CA -0.553 54.741 55.803 -0.847 0.000 0.831 887 Q CB 1.030 28.630 28.738 -1.897 0.000 1.251 887 Q HN 0.742 nan 8.270 nan 0.000 0.456 888 L N 2.208 123.270 121.223 -0.268 0.000 2.490 888 L HA 0.500 4.845 4.340 0.009 0.000 0.245 888 L C 0.972 177.771 176.870 -0.118 0.000 1.185 888 L CA 0.004 54.777 54.840 -0.110 0.000 0.813 888 L CB 0.334 42.420 42.059 0.045 0.000 1.233 888 L HN 0.844 nan 8.230 nan 0.000 0.489 889 A N -1.066 121.730 122.820 -0.039 0.000 1.920 889 A HA 0.114 4.440 4.320 0.009 0.000 0.209 889 A C 0.848 178.443 177.584 0.019 0.000 1.229 889 A CA 0.005 52.016 52.037 -0.044 0.000 0.671 889 A CB -0.255 18.709 19.000 -0.061 0.000 0.886 889 A HN 0.693 nan 8.150 nan 0.000 0.461 890 Q N -0.557 119.293 119.800 0.084 0.000 2.380 890 Q HA 0.235 4.581 4.340 0.009 0.000 0.338 890 Q C -0.721 175.354 176.000 0.125 0.000 1.193 890 Q CA 0.937 56.794 55.803 0.090 0.000 1.023 890 Q CB 0.327 29.145 28.738 0.134 0.000 1.252 890 Q HN 0.185 nan 8.270 nan 0.000 0.422 891 V N 1.700 121.640 119.914 0.044 0.000 2.629 891 V HA 0.522 4.648 4.120 0.009 0.000 0.263 891 V C -0.689 175.387 176.094 -0.030 0.000 0.959 891 V CA -0.443 61.910 62.300 0.087 0.000 0.869 891 V CB 1.187 33.050 31.823 0.067 0.000 1.060 891 V HN 0.846 nan 8.190 nan 0.000 0.474 892 A N 2.130 124.805 122.820 -0.242 0.000 2.322 892 A HA 0.561 4.887 4.320 0.009 0.000 0.269 892 A C 1.122 178.655 177.584 -0.086 0.000 1.094 892 A CA -0.021 51.812 52.037 -0.339 0.000 0.807 892 A CB 0.796 19.321 19.000 -0.792 0.000 1.047 892 A HN 0.809 nan 8.150 nan 0.000 0.487 893 E N 0.562 120.733 120.200 -0.048 0.000 2.046 893 E HA -0.102 4.253 4.350 0.009 0.000 0.190 893 E C 0.819 177.469 176.600 0.084 0.000 0.982 893 E CA 0.785 57.201 56.400 0.027 0.000 0.800 893 E CB 0.061 29.770 29.700 0.014 0.000 0.756 893 E HN 0.681 nan 8.360 nan 0.000 0.449 894 R N -0.542 120.006 120.500 0.079 0.000 2.740 894 R HA 0.580 4.925 4.340 0.009 0.000 0.223 894 R C -0.587 175.874 176.300 0.269 0.000 1.362 894 R CA -0.727 55.463 56.100 0.151 0.000 1.069 894 R CB 1.311 31.682 30.300 0.119 0.000 1.739 894 R HN -0.080 nan 8.270 nan 0.000 0.533 895 V N 0.631 120.728 119.914 0.306 0.000 2.950 895 V HA 0.266 4.392 4.120 0.009 0.000 0.295 895 V C -1.258 175.104 176.094 0.447 0.000 1.297 895 V CA -1.085 61.464 62.300 0.416 0.000 0.962 895 V CB 2.171 34.242 31.823 0.412 0.000 1.081 895 V HN 0.840 nan 8.190 nan 0.000 0.432 896 N N 3.110 122.081 118.700 0.452 0.000 2.425 896 N HA 0.521 5.267 4.740 0.009 0.000 0.289 896 N C -1.594 174.184 175.510 0.446 0.000 1.074 896 N CA -0.423 52.856 53.050 0.383 0.000 0.905 896 N CB 2.701 41.294 38.487 0.176 0.000 1.586 896 N HN 0.832 nan 8.380 nan 0.000 0.490 897 W N 3.072 124.444 121.300 0.120 0.000 3.083 897 W HA 0.636 5.301 4.660 0.009 0.000 0.333 897 W C -1.844 174.655 176.519 -0.033 0.000 1.217 897 W CA -1.164 56.227 57.345 0.077 0.000 1.170 897 W CB 0.851 30.423 29.460 0.185 0.000 1.437 897 W HN 0.263 nan 8.180 nan 0.000 0.557 898 L N 4.221 125.440 121.223 -0.006 0.000 2.272 898 L HA 0.880 5.225 4.340 0.009 0.000 0.284 898 L C 0.036 176.766 176.870 -0.233 0.000 1.045 898 L CA 0.465 55.078 54.840 -0.378 0.000 0.842 898 L CB 0.352 42.270 42.059 -0.234 0.000 1.224 898 L HN 0.934 nan 8.230 nan 0.000 0.430 899 G N 3.667 112.243 108.800 -0.373 0.000 2.364 899 G HA2 0.256 4.221 3.960 0.009 0.000 0.286 899 G HA3 0.256 4.221 3.960 0.009 0.000 0.286 899 G C -1.509 173.613 174.900 0.370 0.000 1.241 899 G CA -0.979 44.211 45.100 0.150 0.000 0.887 899 G HN 0.473 nan 8.290 nan 0.000 0.484 900 L N 0.709 122.213 121.223 0.467 0.000 2.397 900 L HA 0.686 5.032 4.340 0.009 0.000 0.271 900 L C 1.072 178.161 176.870 0.366 0.000 1.148 900 L CA 0.547 55.613 54.840 0.376 0.000 0.825 900 L CB 0.522 42.667 42.059 0.143 0.000 1.117 900 L HN 1.373 nan 8.230 nan 0.000 0.456 901 G N 1.680 110.481 108.800 0.001 0.000 2.367 901 G HA2 0.134 4.100 3.960 0.009 0.000 0.272 901 G HA3 0.134 4.100 3.960 0.009 0.000 0.272 901 G C -2.731 171.405 174.900 -1.273 0.000 1.271 901 G CA -0.161 44.548 45.100 -0.652 0.000 0.893 901 G HN 0.316 nan 8.290 nan 0.000 0.485 902 P HA 0.053 nan 4.420 nan 0.000 0.226 902 P C 0.464 177.482 177.300 -0.472 0.000 1.153 902 P CA 1.032 63.332 63.100 -1.333 0.000 0.777 902 P CB -0.067 31.087 31.700 -0.909 0.000 0.794 903 Q N 0.772 120.325 119.800 -0.413 0.000 2.306 903 Q HA 0.176 4.521 4.340 0.009 0.000 0.241 903 Q C 0.244 176.103 176.000 -0.235 0.000 0.948 903 Q CA -0.877 54.774 55.803 -0.253 0.000 0.886 903 Q CB -0.194 28.432 28.738 -0.186 0.000 1.227 903 Q HN 0.178 nan 8.270 nan 0.000 0.457 904 E N 1.686 121.760 120.200 -0.210 0.000 2.729 904 E HA -0.124 4.232 4.350 0.009 0.000 0.246 904 E C -1.133 175.365 176.600 -0.170 0.000 0.984 904 E CA 0.155 56.423 56.400 -0.221 0.000 0.951 904 E CB -0.112 29.531 29.700 -0.095 0.000 0.914 904 E HN 0.740 nan 8.360 nan 0.000 0.509 905 N N 3.528 122.046 118.700 -0.303 0.000 2.249 905 N HA 0.320 5.065 4.740 0.009 0.000 0.296 905 N C -1.741 173.506 175.510 -0.438 0.000 1.051 905 N CA -0.706 52.210 53.050 -0.223 0.000 0.815 905 N CB 0.894 39.282 38.487 -0.166 0.000 1.487 905 N HN 0.266 nan 8.380 nan 0.000 0.475 906 Y N 0.608 120.797 120.300 -0.185 0.000 2.602 906 Y HA 0.490 5.045 4.550 0.009 0.000 0.330 906 Y C -1.473 174.312 175.900 -0.192 0.000 1.114 906 Y CA -2.077 55.895 58.100 -0.214 0.000 1.182 906 Y CB 1.326 39.666 38.460 -0.200 0.000 1.305 906 Y HN 0.440 nan 8.280 nan 0.000 0.502 907 P HA -0.167 nan 4.420 nan 0.000 0.214 907 P C 0.504 177.566 177.300 -0.396 0.000 1.163 907 P CA 2.079 65.092 63.100 -0.145 0.000 0.883 907 P CB 0.078 31.748 31.700 -0.049 0.000 0.788 908 D N -1.621 118.383 120.400 -0.659 0.000 2.338 908 D HA -0.079 4.567 4.640 0.009 0.000 0.239 908 D C 0.711 176.849 176.300 -0.270 0.000 1.095 908 D CA 0.393 53.852 54.000 -0.903 0.000 0.888 908 D CB -0.565 39.633 40.800 -1.002 0.000 0.899 908 D HN 0.158 nan 8.370 nan 0.000 0.525 909 R N 0.690 121.114 120.500 -0.126 0.000 2.655 909 R HA 0.216 4.562 4.340 0.009 0.000 0.261 909 R C -0.568 175.744 176.300 0.019 0.000 1.624 909 R CA -0.186 55.917 56.100 0.006 0.000 1.655 909 R CB 0.159 30.479 30.300 0.033 0.000 1.356 909 R HN 0.102 nan 8.270 nan 0.000 0.684 910 L N -1.903 119.338 121.223 0.030 0.000 3.298 910 L HA 0.318 4.664 4.340 0.009 0.000 0.296 910 L C 1.465 178.383 176.870 0.079 0.000 1.237 910 L CA -0.098 54.760 54.840 0.030 0.000 1.038 910 L CB 0.218 42.270 42.059 -0.012 0.000 1.423 910 L HN 0.075 nan 8.230 nan 0.000 0.605 911 T N -2.052 112.581 114.554 0.133 0.000 2.788 911 T HA -0.069 4.287 4.350 0.009 0.000 0.268 911 T C 1.748 176.540 174.700 0.152 0.000 1.044 911 T CA 1.353 63.566 62.100 0.188 0.000 1.139 911 T CB -0.361 68.661 68.868 0.256 0.000 0.867 911 T HN 0.394 nan 8.240 nan 0.000 0.454 912 A N 1.241 124.161 122.820 0.168 0.000 2.239 912 A HA 0.643 4.968 4.320 0.009 0.000 0.209 912 A C 1.371 179.062 177.584 0.178 0.000 1.171 912 A CA 0.473 52.580 52.037 0.118 0.000 0.768 912 A CB -0.910 18.255 19.000 0.276 0.000 0.790 912 A HN 0.877 nan 8.150 nan 0.000 0.478 913 A N -1.359 121.510 122.820 0.082 0.000 2.282 913 A HA 0.573 4.899 4.320 0.009 0.000 0.319 913 A C -0.250 177.374 177.584 0.067 0.000 1.121 913 A CA -0.366 51.689 52.037 0.030 0.000 0.836 913 A CB 0.499 19.495 19.000 -0.007 0.000 1.146 913 A HN 0.442 nan 8.150 nan 0.000 0.494 914 C N -0.041 119.317 119.300 0.097 0.000 2.507 914 C HA 0.512 4.977 4.460 0.009 0.000 0.319 914 C C -0.228 174.906 174.990 0.240 0.000 1.208 914 C CA -0.525 58.580 59.018 0.144 0.000 1.619 914 C CB 0.743 28.544 27.740 0.102 0.000 2.230 914 C HN 0.771 nan 8.230 nan 0.000 0.492 915 F N 3.267 123.046 119.950 -0.285 0.000 2.494 915 F HA 0.395 4.927 4.527 0.009 0.000 0.351 915 F C 0.221 175.621 175.800 -0.666 0.000 1.205 915 F CA 0.880 58.556 58.000 -0.540 0.000 1.125 915 F CB -0.532 37.689 39.000 -1.298 0.000 1.268 915 F HN 0.716 nan 8.300 nan 0.000 0.593 916 D N 2.573 122.183 120.400 -1.317 0.000 2.921 916 D HA 0.347 4.992 4.640 0.009 0.000 0.329 916 D C -1.390 173.773 176.300 -1.895 0.000 1.293 916 D CA -0.822 52.185 54.000 -1.654 0.000 0.964 916 D CB 1.161 40.896 40.800 -1.775 0.000 1.435 916 D HN 0.386 nan 8.370 nan 0.000 0.548 917 R N 0.726 120.334 120.500 -1.486 0.000 2.247 917 R HA 0.459 4.805 4.340 0.009 0.000 0.329 917 R C -1.354 174.347 176.300 -0.998 0.000 1.014 917 R CA -0.487 54.979 56.100 -1.057 0.000 0.907 917 R CB 0.181 30.131 30.300 -0.585 0.000 1.146 917 R HN 0.333 nan 8.270 nan 0.000 0.499 918 W N 3.037 123.762 121.300 -0.957 0.000 2.438 918 W HA 0.330 4.995 4.660 0.009 0.000 0.324 918 W C -0.057 176.066 176.519 -0.660 0.000 1.119 918 W CA -0.823 55.922 57.345 -1.001 0.000 1.221 918 W CB 1.329 29.609 29.460 -1.966 0.000 1.253 918 W HN 0.331 nan 8.180 nan 0.000 0.555 919 D N 3.788 124.148 120.400 -0.067 0.000 2.476 919 D HA 0.402 5.048 4.640 0.009 0.000 0.251 919 D C -1.327 175.055 176.300 0.135 0.000 1.291 919 D CA -0.142 53.894 54.000 0.061 0.000 0.939 919 D CB 0.792 41.602 40.800 0.016 0.000 1.221 919 D HN 0.359 nan 8.370 nan 0.000 0.567 920 L N 2.959 124.333 121.223 0.252 0.000 2.283 920 L HA 0.581 4.927 4.340 0.009 0.000 0.259 920 L C -2.308 174.671 176.870 0.182 0.000 1.027 920 L CA -2.264 52.698 54.840 0.204 0.000 0.828 920 L CB 2.506 44.707 42.059 0.237 0.000 1.380 920 L HN 0.147 nan 8.230 nan 0.000 0.425 921 P HA 0.077 nan 4.420 nan 0.000 0.275 921 P C 0.391 177.770 177.300 0.132 0.000 1.228 921 P CA -0.386 62.782 63.100 0.114 0.000 0.786 921 P CB 0.851 32.597 31.700 0.077 0.000 0.927 922 L N 3.311 124.621 121.223 0.145 0.000 2.043 922 L HA -0.248 4.098 4.340 0.009 0.000 0.212 922 L C 2.043 178.980 176.870 0.112 0.000 1.075 922 L CA 2.384 57.316 54.840 0.153 0.000 0.752 922 L CB -1.521 40.648 42.059 0.183 0.000 0.891 922 L HN 0.360 nan 8.230 nan 0.000 0.432 923 S N -0.975 114.785 115.700 0.101 0.000 2.374 923 S HA -0.226 4.250 4.470 0.009 0.000 0.227 923 S C 1.547 176.202 174.600 0.092 0.000 1.037 923 S CA 1.404 59.669 58.200 0.107 0.000 1.024 923 S CB -0.952 62.297 63.200 0.083 0.000 0.861 923 S HN 0.523 nan 8.310 nan 0.000 0.456 924 D N 1.232 121.667 120.400 0.058 0.000 2.392 924 D HA 0.075 4.720 4.640 0.009 0.000 0.228 924 D C 1.470 177.765 176.300 -0.009 0.000 1.003 924 D CA 0.536 54.544 54.000 0.013 0.000 0.917 924 D CB -0.216 40.594 40.800 0.017 0.000 0.890 924 D HN 0.422 nan 8.370 nan 0.000 0.532 925 M N -0.679 118.939 119.600 0.030 0.000 2.558 925 M HA 0.004 4.489 4.480 0.009 0.000 0.255 925 M C 0.404 176.721 176.300 0.028 0.000 1.113 925 M CA 0.238 55.528 55.300 -0.016 0.000 1.097 925 M CB -0.497 32.092 32.600 -0.018 0.000 1.426 925 M HN -0.028 nan 8.290 nan 0.000 0.488 926 Y N 1.021 121.296 120.300 -0.041 0.000 2.360 926 Y HA 0.442 4.998 4.550 0.009 0.000 0.337 926 Y C -0.707 175.145 175.900 -0.081 0.000 1.039 926 Y CA -0.926 57.165 58.100 -0.015 0.000 1.109 926 Y CB 1.199 39.713 38.460 0.090 0.000 1.201 926 Y HN -0.159 nan 8.280 nan 0.000 0.458 927 T N 8.950 123.088 114.554 -0.694 0.000 2.772 927 T HA 0.274 4.629 4.350 0.009 0.000 0.288 927 T C -2.599 171.310 174.700 -1.319 0.000 0.994 927 T CA -1.534 60.045 62.100 -0.869 0.000 0.951 927 T CB 1.178 69.710 68.868 -0.561 0.000 0.933 927 T HN 0.458 nan 8.240 nan 0.000 0.447 928 P HA 0.103 nan 4.420 nan 0.000 0.249 928 P C -0.541 176.536 177.300 -0.373 0.000 1.686 928 P CA -0.372 62.234 63.100 -0.823 0.000 0.873 928 P CB -0.899 30.412 31.700 -0.647 0.000 1.828 929 Y N -0.698 119.529 120.300 -0.121 0.000 2.702 929 Y HA -0.084 4.471 4.550 0.009 0.000 0.336 929 Y C 2.209 178.183 175.900 0.125 0.000 1.235 929 Y CA -0.307 57.821 58.100 0.046 0.000 1.492 929 Y CB 0.502 38.954 38.460 -0.014 0.000 1.308 929 Y HN -0.160 nan 8.280 nan 0.000 0.589 930 V N 3.218 123.370 119.914 0.397 0.000 2.548 930 V HA -0.250 3.876 4.120 0.009 0.000 0.249 930 V C 0.343 176.630 176.094 0.322 0.000 1.055 930 V CA 1.212 63.727 62.300 0.358 0.000 1.065 930 V CB -0.526 31.558 31.823 0.435 0.000 0.681 930 V HN 0.608 nan 8.190 nan 0.000 0.462 931 F N 3.347 123.375 119.950 0.128 0.000 2.293 931 F HA 0.539 5.072 4.527 0.010 0.000 0.370 931 F C -2.420 173.385 175.800 0.008 0.000 1.090 931 F CA -3.253 54.755 58.000 0.015 0.000 1.133 931 F CB 0.795 39.716 39.000 -0.133 0.000 1.360 931 F HN -0.006 nan 8.300 nan 0.000 0.489 932 P HA 0.074 nan 4.420 nan 0.000 0.264 932 P C -0.840 176.300 177.300 -0.266 0.000 1.179 932 P CA 0.416 63.361 63.100 -0.259 0.000 0.763 932 P CB 0.978 32.503 31.700 -0.292 0.000 0.806 933 S N 0.193 115.866 115.700 -0.046 0.000 2.615 933 S HA 0.376 4.852 4.470 0.009 0.000 0.268 933 S C -0.910 173.702 174.600 0.020 0.000 1.146 933 S CA -1.015 57.180 58.200 -0.008 0.000 0.818 933 S CB 0.655 63.880 63.200 0.042 0.000 1.111 933 S HN 0.369 nan 8.310 nan 0.000 0.465 934 E N 1.290 121.493 120.200 0.005 0.000 2.534 934 E HA 0.337 4.692 4.350 0.009 0.000 0.264 934 E C -0.026 176.608 176.600 0.056 0.000 0.981 934 E CA 1.176 57.596 56.400 0.033 0.000 0.948 934 E CB -0.130 29.598 29.700 0.046 0.000 0.934 934 E HN 0.864 nan 8.360 nan 0.000 0.459 935 N N 1.095 119.890 118.700 0.157 0.000 3.261 935 N HA 0.422 5.167 4.740 0.009 0.000 0.248 935 N C 0.169 175.771 175.510 0.154 0.000 1.498 935 N CA -0.544 52.652 53.050 0.244 0.000 0.884 935 N CB 0.400 39.054 38.487 0.279 0.000 1.428 935 N HN 0.782 nan 8.380 nan 0.000 0.517 936 G N -1.245 107.608 108.800 0.089 0.000 2.166 936 G HA2 -0.282 3.684 3.960 0.009 0.000 0.260 936 G HA3 -0.282 3.684 3.960 0.009 0.000 0.260 936 G C -0.204 174.460 174.900 -0.392 0.000 0.986 936 G CA 0.608 45.629 45.100 -0.133 0.000 0.683 936 G HN 0.731 nan 8.290 nan 0.000 0.527 937 L N 0.700 121.619 121.223 -0.507 0.000 2.483 937 L HA 0.484 4.830 4.340 0.009 0.000 0.276 937 L C 0.820 177.082 176.870 -1.013 0.000 1.213 937 L CA 0.198 54.470 54.840 -0.946 0.000 0.843 937 L CB 0.395 41.514 42.059 -1.567 0.000 1.107 937 L HN 0.286 nan 8.230 nan 0.000 0.487 938 R N 4.077 123.908 120.500 -1.115 0.000 2.451 938 R HA 0.413 4.759 4.340 0.009 0.000 0.307 938 R C -0.976 174.911 176.300 -0.688 0.000 0.965 938 R CA -0.662 54.866 56.100 -0.954 0.000 0.865 938 R CB 0.639 30.282 30.300 -1.095 0.000 1.174 938 R HN 0.592 nan 8.270 nan 0.000 0.455 939 C N -0.028 119.000 119.300 -0.453 0.000 2.345 939 C HA 0.605 5.071 4.460 0.009 0.000 0.369 939 C C 1.641 176.552 174.990 -0.133 0.000 1.273 939 C CA 0.338 59.181 59.018 -0.293 0.000 2.310 939 C CB 0.610 28.208 27.740 -0.236 0.000 2.219 939 C HN 1.070 nan 8.230 nan 0.000 0.587 940 G N 1.436 110.182 108.800 -0.090 0.000 2.321 940 G HA2 -0.200 3.765 3.960 0.009 0.000 0.287 940 G HA3 -0.200 3.765 3.960 0.009 0.000 0.287 940 G C -0.025 174.910 174.900 0.058 0.000 1.018 940 G CA 0.577 45.681 45.100 0.007 0.000 0.855 940 G HN 0.854 nan 8.290 nan 0.000 0.507 941 T N -0.414 114.051 114.554 -0.149 0.000 2.794 941 T HA 0.406 4.762 4.350 0.009 0.000 0.296 941 T C 1.502 175.965 174.700 -0.395 0.000 0.949 941 T CA -0.203 61.775 62.100 -0.204 0.000 1.101 941 T CB 1.615 70.313 68.868 -0.283 0.000 0.905 941 T HN 0.360 nan 8.240 nan 0.000 0.516 942 R N 1.133 121.620 120.500 -0.021 0.000 2.265 942 R HA 0.174 4.519 4.340 0.009 0.000 0.194 942 R C 0.533 176.903 176.300 0.116 0.000 0.931 942 R CA 0.348 56.481 56.100 0.056 0.000 1.032 942 R CB 0.540 30.994 30.300 0.256 0.000 0.980 942 R HN 0.722 nan 8.270 nan 0.000 0.497 943 E N 0.721 120.994 120.200 0.121 0.000 2.406 943 E HA 0.143 4.498 4.350 0.009 0.000 0.297 943 E C -1.971 174.804 176.600 0.292 0.000 0.917 943 E CA -0.551 56.006 56.400 0.261 0.000 0.795 943 E CB 1.196 31.008 29.700 0.187 0.000 1.285 943 E HN -0.099 nan 8.360 nan 0.000 0.400 944 L N 3.489 124.943 121.223 0.386 0.000 2.322 944 L HA 0.736 5.081 4.340 0.009 0.000 0.269 944 L C -1.563 175.517 176.870 0.351 0.000 1.012 944 L CA -0.477 54.507 54.840 0.241 0.000 0.815 944 L CB 1.856 43.847 42.059 -0.113 0.000 1.295 944 L HN 0.633 nan 8.230 nan 0.000 0.438 945 N N 3.069 121.965 118.700 0.327 0.000 2.455 945 N HA 0.324 5.070 4.740 0.009 0.000 0.285 945 N C -2.192 173.574 175.510 0.426 0.000 1.080 945 N CA -0.245 53.021 53.050 0.360 0.000 0.932 945 N CB 1.996 40.624 38.487 0.234 0.000 1.610 945 N HN 0.665 nan 8.380 nan 0.000 0.493 946 Y N 1.089 121.577 120.300 0.312 0.000 2.390 946 Y HA 0.434 4.990 4.550 0.009 0.000 0.324 946 Y C 0.620 176.683 175.900 0.270 0.000 1.151 946 Y CA 0.600 58.858 58.100 0.264 0.000 1.053 946 Y CB 0.874 39.496 38.460 0.271 0.000 1.277 946 Y HN 0.848 nan 8.280 nan 0.000 0.432 947 G N 6.030 114.708 108.800 -0.203 0.000 2.583 947 G HA2 -0.290 3.676 3.960 0.009 0.000 0.292 947 G HA3 -0.290 3.676 3.960 0.009 0.000 0.292 947 G C -1.891 172.969 174.900 -0.068 0.000 1.203 947 G CA 0.149 45.164 45.100 -0.141 0.000 0.987 947 G HN 0.646 nan 8.290 nan 0.000 0.554 948 P HA 0.223 nan 4.420 nan 0.000 0.267 948 P C 0.209 177.330 177.300 -0.298 0.000 1.289 948 P CA 0.506 63.461 63.100 -0.243 0.000 0.866 948 P CB 0.152 31.642 31.700 -0.349 0.000 1.309 949 H N 0.305 119.371 119.070 -0.006 0.000 2.482 949 H HA 0.470 5.032 4.556 0.009 0.000 0.344 949 H C 0.482 175.673 175.328 -0.228 0.000 1.151 949 H CA -0.198 55.751 56.048 -0.165 0.000 1.300 949 H CB 0.993 30.481 29.762 -0.457 0.000 1.494 949 H HN -0.025 nan 8.280 nan 0.000 0.542 950 Q N 2.858 122.549 119.800 -0.182 0.000 2.347 950 Q HA 0.284 4.629 4.340 0.009 0.000 0.271 950 Q C -1.736 174.179 176.000 -0.142 0.000 1.064 950 Q CA -0.856 54.937 55.803 -0.017 0.000 0.800 950 Q CB 2.025 30.814 28.738 0.086 0.000 1.304 950 Q HN 0.637 nan 8.270 nan 0.000 0.438 951 W N 3.074 124.370 121.300 -0.006 0.000 2.844 951 W HA 0.610 5.275 4.660 0.009 0.000 0.340 951 W C -0.345 176.243 176.519 0.115 0.000 1.093 951 W CA -0.942 56.348 57.345 -0.092 0.000 1.212 951 W CB 2.324 31.514 29.460 -0.450 0.000 1.422 951 W HN 0.592 nan 8.180 nan 0.000 0.515 952 R N 0.752 121.482 120.500 0.383 0.000 2.725 952 R HA 0.748 5.094 4.340 0.009 0.000 0.277 952 R C 0.029 176.596 176.300 0.444 0.000 0.987 952 R CA -0.625 55.729 56.100 0.424 0.000 0.901 952 R CB 2.305 32.769 30.300 0.273 0.000 1.207 952 R HN 0.777 nan 8.270 nan 0.000 0.463 953 G N 1.157 110.254 108.800 0.494 0.000 2.240 953 G HA2 -0.119 3.847 3.960 0.009 0.000 0.199 953 G HA3 -0.119 3.847 3.960 0.009 0.000 0.199 953 G C -1.773 173.326 174.900 0.333 0.000 1.342 953 G CA -0.625 44.714 45.100 0.399 0.000 1.145 953 G HN 0.494 nan 8.290 nan 0.000 0.477 954 D N 0.966 121.556 120.400 0.316 0.000 2.446 954 D HA 0.647 5.293 4.640 0.009 0.000 0.251 954 D C -0.694 175.691 176.300 0.141 0.000 1.137 954 D CA -0.209 53.871 54.000 0.134 0.000 0.890 954 D CB 0.410 41.263 40.800 0.088 0.000 1.071 954 D HN 0.545 nan 8.370 nan 0.000 0.528 955 F N 0.183 120.103 119.950 -0.050 0.000 2.685 955 F HA 0.603 5.135 4.527 0.009 0.000 0.315 955 F C -0.999 174.738 175.800 -0.105 0.000 1.126 955 F CA -1.134 56.777 58.000 -0.149 0.000 0.950 955 F CB 0.921 39.833 39.000 -0.147 0.000 1.360 955 F HN -0.198 nan 8.300 nan 0.000 0.469 956 Q N 1.872 121.665 119.800 -0.012 0.000 2.266 956 Q HA 0.681 5.026 4.340 0.009 0.000 0.261 956 Q C -1.007 175.018 176.000 0.042 0.000 0.985 956 Q CA -0.642 55.073 55.803 -0.147 0.000 0.873 956 Q CB 2.287 30.878 28.738 -0.245 0.000 1.306 956 Q HN 0.800 nan 8.270 nan 0.000 0.447 957 F N -1.085 118.704 119.950 -0.268 0.000 2.745 957 F HA 0.809 5.341 4.527 0.010 0.000 0.316 957 F C -1.501 174.078 175.800 -0.368 0.000 1.155 957 F CA -1.097 56.745 58.000 -0.264 0.000 0.937 957 F CB 1.674 40.569 39.000 -0.174 0.000 1.361 957 F HN 0.561 nan 8.300 nan 0.000 0.472 958 N N 0.995 119.596 118.700 -0.164 0.000 2.745 958 N HA 0.605 5.350 4.740 0.009 0.000 0.256 958 N C -2.282 173.195 175.510 -0.057 0.000 1.268 958 N CA -0.657 52.212 53.050 -0.303 0.000 0.887 958 N CB 2.189 40.499 38.487 -0.294 0.000 1.575 958 N HN 1.191 nan 8.380 nan 0.000 0.496 959 I N 0.691 121.215 120.570 -0.078 0.000 2.611 959 I HA 0.627 4.802 4.170 0.009 0.000 0.287 959 I C -1.214 174.861 176.117 -0.069 0.000 1.184 959 I CA 0.034 61.278 61.300 -0.093 0.000 1.054 959 I CB 1.066 38.966 38.000 -0.167 0.000 1.257 959 I HN 0.995 nan 8.210 nan 0.000 0.435 960 S N 6.829 122.508 115.700 -0.035 0.000 2.998 960 S HA 0.638 5.114 4.470 0.009 0.000 0.321 960 S C -0.220 174.310 174.600 -0.117 0.000 1.171 960 S CA -0.872 57.305 58.200 -0.039 0.000 0.882 960 S CB 1.939 65.191 63.200 0.085 0.000 1.301 960 S HN 0.644 nan 8.310 nan 0.000 0.629 961 R N 0.262 120.523 120.500 -0.399 0.000 2.748 961 R HA 0.348 4.694 4.340 0.009 0.000 0.395 961 R C -1.521 174.379 176.300 -0.667 0.000 1.128 961 R CA 0.037 55.877 56.100 -0.433 0.000 1.042 961 R CB -0.363 29.582 30.300 -0.592 0.000 1.392 961 R HN 0.639 nan 8.270 nan 0.000 0.582 962 Y N 0.005 120.311 120.300 0.009 0.000 2.457 962 Y HA 0.211 4.766 4.550 0.009 0.000 0.343 962 Y C 0.611 176.307 175.900 -0.341 0.000 0.994 962 Y CA -1.091 56.931 58.100 -0.129 0.000 1.031 962 Y CB 1.910 40.231 38.460 -0.232 0.000 1.246 962 Y HN -0.005 nan 8.280 nan 0.000 0.449 963 S N 1.520 117.012 115.700 -0.347 0.000 2.592 963 S HA 0.080 4.556 4.470 0.009 0.000 0.271 963 S C 0.796 175.110 174.600 -0.476 0.000 1.326 963 S CA -0.721 56.958 58.200 -0.868 0.000 1.024 963 S CB 1.412 64.064 63.200 -0.915 0.000 0.921 963 S HN 0.748 nan 8.310 nan 0.000 0.527 964 Q N 0.616 120.106 119.800 -0.518 0.000 2.234 964 Q HA -0.159 4.187 4.340 0.009 0.000 0.206 964 Q C 1.924 177.795 176.000 -0.215 0.000 0.980 964 Q CA 1.549 57.183 55.803 -0.282 0.000 0.869 964 Q CB -0.319 28.273 28.738 -0.244 0.000 0.912 964 Q HN 0.896 nan 8.270 nan 0.000 0.436 965 Q N -0.200 119.445 119.800 -0.260 0.000 2.331 965 Q HA -0.073 4.272 4.340 0.009 0.000 0.203 965 Q C 1.829 177.741 176.000 -0.146 0.000 0.944 965 Q CA 0.417 56.125 55.803 -0.158 0.000 0.892 965 Q CB 0.272 28.941 28.738 -0.116 0.000 0.983 965 Q HN 0.403 nan 8.270 nan 0.000 0.482 966 Q N 0.191 119.890 119.800 -0.168 0.000 2.119 966 Q HA -0.092 4.254 4.340 0.009 0.000 0.201 966 Q C 2.087 177.979 176.000 -0.179 0.000 0.972 966 Q CA 0.675 56.398 55.803 -0.134 0.000 0.847 966 Q CB 0.122 28.810 28.738 -0.083 0.000 0.903 966 Q HN 0.409 nan 8.270 nan 0.000 0.433 967 L N 0.133 121.240 121.223 -0.194 0.000 2.093 967 L HA -0.142 4.204 4.340 0.009 0.000 0.208 967 L C 2.588 179.309 176.870 -0.249 0.000 1.085 967 L CA 0.882 55.585 54.840 -0.228 0.000 0.755 967 L CB -0.258 41.702 42.059 -0.165 0.000 0.904 967 L HN 0.350 nan 8.230 nan 0.000 0.435 968 M N 0.244 119.732 119.600 -0.185 0.000 2.419 968 M HA -0.141 4.344 4.480 0.009 0.000 0.264 968 M C 1.461 177.661 176.300 -0.167 0.000 1.082 968 M CA 1.489 56.692 55.300 -0.162 0.000 1.119 968 M CB 0.153 32.689 32.600 -0.106 0.000 1.398 968 M HN 0.207 nan 8.290 nan 0.000 0.453 969 E N -1.065 119.039 120.200 -0.160 0.000 2.481 969 E HA 0.154 4.509 4.350 0.009 0.000 0.198 969 E C -0.385 176.125 176.600 -0.150 0.000 1.027 969 E CA -0.031 56.292 56.400 -0.129 0.000 0.900 969 E CB 0.191 29.839 29.700 -0.087 0.000 0.993 969 E HN 0.141 nan 8.360 nan 0.000 0.482 970 T N 0.887 115.308 114.554 -0.223 0.000 2.756 970 T HA 0.176 4.531 4.350 0.009 0.000 0.290 970 T C 0.928 175.428 174.700 -0.334 0.000 0.985 970 T CA -0.298 61.648 62.100 -0.255 0.000 0.955 970 T CB 1.560 70.249 68.868 -0.298 0.000 0.930 970 T HN 0.223 nan 8.240 nan 0.000 0.451 971 S N 2.304 117.885 115.700 -0.200 0.000 2.436 971 S HA 0.003 4.479 4.470 0.009 0.000 0.228 971 S C 0.378 174.820 174.600 -0.264 0.000 1.014 971 S CA 0.515 58.620 58.200 -0.159 0.000 0.950 971 S CB -0.272 62.997 63.200 0.115 0.000 0.784 971 S HN 0.751 nan 8.310 nan 0.000 0.504 972 H N 0.413 119.360 119.070 -0.204 0.000 2.717 972 H HA 0.506 5.067 4.556 0.009 0.000 0.366 972 H C 1.031 176.213 175.328 -0.243 0.000 1.132 972 H CA -0.870 55.095 56.048 -0.138 0.000 1.180 972 H CB 1.365 30.984 29.762 -0.239 0.000 1.678 972 H HN 0.076 nan 8.280 nan 0.000 0.537 973 R N 1.944 122.474 120.500 0.050 0.000 2.193 973 R HA -0.154 4.192 4.340 0.009 0.000 0.229 973 R C 1.048 177.310 176.300 -0.064 0.000 1.110 973 R CA 1.732 57.822 56.100 -0.016 0.000 0.988 973 R CB -0.418 29.950 30.300 0.114 0.000 0.871 973 R HN 0.811 nan 8.270 nan 0.000 0.458 974 H N 0.991 120.056 119.070 -0.008 0.000 2.529 974 H HA 0.064 4.625 4.556 0.009 0.000 0.277 974 H C 1.337 176.539 175.328 -0.209 0.000 0.999 974 H CA 0.598 56.592 56.048 -0.090 0.000 1.256 974 H CB -0.026 29.688 29.762 -0.079 0.000 1.402 974 H HN 0.288 nan 8.280 nan 0.000 0.566 975 L N 1.139 121.945 121.223 -0.694 0.000 2.607 975 L HA 0.237 4.582 4.340 0.009 0.000 0.228 975 L C 0.742 177.096 176.870 -0.860 0.000 1.123 975 L CA -0.173 54.258 54.840 -0.681 0.000 0.890 975 L CB 0.195 41.869 42.059 -0.642 0.000 1.103 975 L HN 0.047 nan 8.230 nan 0.000 0.468 976 L N 0.091 120.921 121.223 -0.655 0.000 2.461 976 L HA 0.094 4.439 4.340 0.009 0.000 0.272 976 L C -0.353 176.170 176.870 -0.580 0.000 1.197 976 L CA 0.286 54.751 54.840 -0.625 0.000 0.836 976 L CB 0.288 41.941 42.059 -0.677 0.000 1.105 976 L HN 0.206 nan 8.230 nan 0.000 0.477 977 H N 0.542 119.656 119.070 0.072 0.000 2.717 977 H HA 0.518 5.080 4.556 0.009 0.000 0.366 977 H C -0.197 175.271 175.328 0.233 0.000 1.132 977 H CA -0.950 55.176 56.048 0.130 0.000 1.180 977 H CB 1.554 31.337 29.762 0.036 0.000 1.678 977 H HN 0.748 nan 8.280 nan 0.000 0.537 978 A N 2.226 125.172 122.820 0.210 0.000 2.483 978 A HA 0.089 4.415 4.320 0.009 0.000 0.238 978 A C 0.254 177.828 177.584 -0.017 0.000 1.070 978 A CA -0.216 51.769 52.037 -0.086 0.000 0.770 978 A CB 0.144 19.081 19.000 -0.104 0.000 1.008 978 A HN 0.805 nan 8.150 nan 0.000 0.497 979 E N 0.413 120.575 120.200 -0.063 0.000 2.561 979 E HA 0.134 4.489 4.350 0.009 0.000 0.254 979 E C 0.518 177.108 176.600 -0.016 0.000 1.213 979 E CA -0.589 55.840 56.400 0.048 0.000 0.995 979 E CB 0.544 30.382 29.700 0.229 0.000 1.233 979 E HN 0.810 nan 8.360 nan 0.000 0.556 980 E N -0.336 119.848 120.200 -0.027 0.000 2.153 980 E HA -0.096 4.260 4.350 0.009 0.000 0.194 980 E C 0.512 177.059 176.600 -0.090 0.000 0.988 980 E CA 0.951 57.313 56.400 -0.062 0.000 0.811 980 E CB 0.194 29.860 29.700 -0.057 0.000 0.746 980 E HN 0.484 nan 8.360 nan 0.000 0.466 981 G N -1.261 107.454 108.800 -0.142 0.000 2.815 981 G HA2 0.232 4.198 3.960 0.009 0.000 0.305 981 G HA3 0.232 4.198 3.960 0.009 0.000 0.305 981 G C -1.064 173.751 174.900 -0.142 0.000 1.277 981 G CA -0.646 44.381 45.100 -0.120 0.000 0.795 981 G HN -0.059 nan 8.290 nan 0.000 0.528 982 T N 0.824 115.329 114.554 -0.082 0.000 2.794 982 T HA 0.309 4.665 4.350 0.009 0.000 0.296 982 T C -0.792 173.791 174.700 -0.196 0.000 0.949 982 T CA 0.296 62.332 62.100 -0.107 0.000 1.101 982 T CB 0.693 69.486 68.868 -0.125 0.000 0.905 982 T HN 0.315 nan 8.240 nan 0.000 0.516 983 W N 2.916 124.113 121.300 -0.172 0.000 2.316 983 W HA 0.574 5.239 4.660 0.009 0.000 0.321 983 W C -0.279 176.104 176.519 -0.227 0.000 1.203 983 W CA -0.778 56.468 57.345 -0.167 0.000 1.214 983 W CB 0.897 30.275 29.460 -0.137 0.000 1.169 983 W HN 0.381 nan 8.180 nan 0.000 0.561 984 L N 4.954 126.243 121.223 0.110 0.000 2.436 984 L HA 0.501 4.847 4.340 0.009 0.000 0.268 984 L C -1.403 175.402 176.870 -0.109 0.000 0.974 984 L CA -0.594 54.166 54.840 -0.134 0.000 0.826 984 L CB 1.497 43.326 42.059 -0.384 0.000 1.291 984 L HN 0.317 nan 8.230 nan 0.000 0.406 985 N N 6.575 125.183 118.700 -0.154 0.000 2.483 985 N HA 0.505 5.250 4.740 0.009 0.000 0.267 985 N C -1.270 174.123 175.510 -0.195 0.000 0.998 985 N CA -0.189 52.764 53.050 -0.160 0.000 0.918 985 N CB 2.114 40.528 38.487 -0.122 0.000 1.215 985 N HN 0.545 nan 8.380 nan 0.000 0.500 986 I N 1.827 122.234 120.570 -0.272 0.000 2.382 986 I HA 0.257 4.433 4.170 0.009 0.000 0.285 986 I C -0.628 175.329 176.117 -0.267 0.000 1.007 986 I CA -0.635 60.483 61.300 -0.303 0.000 1.142 986 I CB 1.479 39.142 38.000 -0.560 0.000 1.289 986 I HN 0.124 nan 8.210 nan 0.000 0.453 987 D N 4.820 125.100 120.400 -0.200 0.000 2.217 987 D HA 0.272 4.917 4.640 0.009 0.000 0.243 987 D C 1.015 177.042 176.300 -0.455 0.000 1.054 987 D CA -0.267 53.553 54.000 -0.301 0.000 0.838 987 D CB 2.531 43.239 40.800 -0.153 0.000 1.162 987 D HN 0.692 nan 8.370 nan 0.000 0.472 988 G N 1.124 109.385 108.800 -0.898 0.000 2.430 988 G HA2 0.004 3.969 3.960 0.009 0.000 0.216 988 G HA3 0.004 3.969 3.960 0.009 0.000 0.216 988 G C 0.060 174.114 174.900 -1.410 0.000 1.146 988 G CA 0.489 44.855 45.100 -1.224 0.000 0.793 988 G HN 0.372 nan 8.290 nan 0.000 0.537 989 F N -1.300 118.436 119.950 -0.357 0.000 2.591 989 F HA 0.554 5.086 4.527 0.009 0.000 0.309 989 F C -0.567 175.111 175.800 -0.203 0.000 1.098 989 F CA -1.365 56.492 58.000 -0.239 0.000 0.937 989 F CB 1.775 40.567 39.000 -0.348 0.000 1.250 989 F HN -0.092 nan 8.300 nan 0.000 0.447 990 H N 3.002 122.061 119.070 -0.017 0.000 2.771 990 H HA 0.416 4.978 4.556 0.009 0.000 0.361 990 H C -0.935 174.393 175.328 -0.001 0.000 1.108 990 H CA -0.673 55.343 56.048 -0.054 0.000 1.201 990 H CB 2.570 32.300 29.762 -0.053 0.000 1.681 990 H HN 0.823 nan 8.280 nan 0.000 0.534 991 M N 2.039 121.590 119.600 -0.082 0.000 2.157 991 M HA 0.259 4.744 4.480 0.009 0.000 0.304 991 M C 0.649 177.006 176.300 0.095 0.000 1.171 991 M CA 0.250 55.542 55.300 -0.014 0.000 1.157 991 M CB 0.393 32.889 32.600 -0.173 0.000 1.403 991 M HN 0.735 nan 8.290 nan 0.000 0.473 992 G N 0.979 109.825 108.800 0.076 0.000 2.683 992 G HA2 0.349 4.315 3.960 0.009 0.000 0.260 992 G HA3 0.349 4.315 3.960 0.009 0.000 0.260 992 G C 0.364 175.245 174.900 -0.033 0.000 1.238 992 G CA -0.212 44.901 45.100 0.023 0.000 0.934 992 G HN 0.906 nan 8.290 nan 0.000 0.534 993 I N -2.702 117.820 120.570 -0.079 0.000 3.526 993 I HA 0.504 4.680 4.170 0.009 0.000 0.294 993 I C 1.234 177.314 176.117 -0.061 0.000 1.229 993 I CA 0.598 61.823 61.300 -0.124 0.000 1.408 993 I CB -0.318 37.526 38.000 -0.259 0.000 1.127 993 I HN 1.055 nan 8.210 nan 0.000 0.439 994 G N 0.823 109.624 108.800 0.002 0.000 2.693 994 G HA2 0.176 4.142 3.960 0.009 0.000 0.226 994 G HA3 0.176 4.142 3.960 0.009 0.000 0.226 994 G C 0.534 175.466 174.900 0.053 0.000 1.354 994 G CA -0.015 45.118 45.100 0.056 0.000 0.873 994 G HN 1.368 nan 8.290 nan 0.000 0.562 995 G N -2.454 106.384 108.800 0.064 0.000 3.110 995 G HA2 0.010 3.976 3.960 0.009 0.000 0.205 995 G HA3 0.010 3.976 3.960 0.009 0.000 0.205 995 G C 0.740 175.718 174.900 0.130 0.000 1.019 995 G CA 0.818 45.972 45.100 0.090 0.000 0.826 995 G HN 1.137 nan 8.290 nan 0.000 0.481 996 D N 1.382 121.875 120.400 0.154 0.000 2.244 996 D HA 0.116 4.762 4.640 0.009 0.000 0.197 996 D C 0.924 177.279 176.300 0.093 0.000 1.006 996 D CA 2.272 56.402 54.000 0.217 0.000 0.888 996 D CB 0.011 40.942 40.800 0.218 0.000 0.912 996 D HN 0.886 nan 8.370 nan 0.000 0.452 997 D N -4.131 116.143 120.400 -0.211 0.000 2.742 997 D HA 0.241 4.886 4.640 0.009 0.000 0.262 997 D C -0.779 175.077 176.300 -0.740 0.000 1.240 997 D CA -0.727 52.768 54.000 -0.840 0.000 0.752 997 D CB 0.561 40.400 40.800 -1.602 0.000 1.290 997 D HN -0.240 nan 8.370 nan 0.000 0.420 998 S N -0.371 114.722 115.700 -1.012 0.000 2.593 998 S HA 0.218 4.694 4.470 0.009 0.000 0.236 998 S C -0.052 174.541 174.600 -0.012 0.000 0.991 998 S CA -0.522 57.531 58.200 -0.244 0.000 0.963 998 S CB -0.510 62.831 63.200 0.236 0.000 0.865 998 S HN 0.632 nan 8.310 nan 0.000 0.488 999 W N 1.741 122.939 121.300 -0.170 0.000 2.684 999 W HA 0.612 5.277 4.660 0.009 0.000 0.381 999 W C 0.129 176.586 176.519 -0.103 0.000 0.975 999 W CA -0.428 56.831 57.345 -0.143 0.000 1.789 999 W CB -0.351 28.950 29.460 -0.266 0.000 1.161 999 W HN 0.177 nan 8.180 nan 0.000 0.564 1000 S N -1.007 114.549 115.700 -0.239 0.000 2.615 1000 S HA 0.600 5.075 4.470 0.009 0.000 0.269 1000 S C -3.170 171.349 174.600 -0.136 0.000 1.161 1000 S CA -1.593 56.523 58.200 -0.141 0.000 0.817 1000 S CB 1.391 64.526 63.200 -0.109 0.000 1.131 1000 S HN -0.219 nan 8.310 nan 0.000 0.467 1001 P HA 0.314 nan 4.420 nan 0.000 0.265 1001 P C 0.040 177.360 177.300 0.033 0.000 1.222 1001 P CA -0.014 63.079 63.100 -0.012 0.000 0.767 1001 P CB 0.691 32.306 31.700 -0.141 0.000 0.801 1002 S N 0.949 116.699 115.700 0.083 0.000 2.497 1002 S HA 0.047 4.523 4.470 0.009 0.000 0.218 1002 S C 0.719 175.413 174.600 0.157 0.000 1.023 1002 S CA -0.104 58.143 58.200 0.078 0.000 0.913 1002 S CB 0.132 63.350 63.200 0.030 0.000 0.800 1002 S HN 0.237 nan 8.310 nan 0.000 0.505 1003 V N 3.856 123.909 119.914 0.231 0.000 2.485 1003 V HA 0.126 4.252 4.120 0.009 0.000 0.287 1003 V C 0.246 176.502 176.094 0.269 0.000 1.022 1003 V CA -0.269 62.181 62.300 0.251 0.000 1.067 1003 V CB 0.203 32.131 31.823 0.176 0.000 0.967 1003 V HN 0.267 nan 8.190 nan 0.000 0.479 1004 S N 4.362 120.226 115.700 0.274 0.000 2.499 1004 S HA 0.438 4.914 4.470 0.009 0.000 0.275 1004 S C 1.600 176.275 174.600 0.125 0.000 1.257 1004 S CA -0.059 58.242 58.200 0.168 0.000 1.050 1004 S CB 1.426 64.677 63.200 0.086 0.000 0.937 1004 S HN 1.101 nan 8.310 nan 0.000 0.490 1005 A N 3.568 126.450 122.820 0.104 0.000 1.941 1005 A HA -0.354 3.972 4.320 0.009 0.000 0.233 1005 A C 1.778 179.378 177.584 0.028 0.000 1.649 1005 A CA 2.582 54.678 52.037 0.099 0.000 0.726 1005 A CB -1.191 17.836 19.000 0.045 0.000 0.843 1005 A HN 0.869 nan 8.150 nan 0.000 0.511 1006 E N -1.004 119.085 120.200 -0.186 0.000 2.472 1006 E HA 0.009 4.365 4.350 0.009 0.000 0.200 1006 E C 1.176 177.614 176.600 -0.269 0.000 1.046 1006 E CA 1.040 57.244 56.400 -0.326 0.000 0.871 1006 E CB -0.432 28.901 29.700 -0.611 0.000 0.806 1006 E HN 0.833 nan 8.360 nan 0.000 0.533 1007 F N 0.374 120.391 119.950 0.111 0.000 2.717 1007 F HA 0.178 4.711 4.527 0.009 0.000 0.297 1007 F C 0.913 176.771 175.800 0.097 0.000 1.113 1007 F CA -0.671 57.392 58.000 0.104 0.000 1.319 1007 F CB 0.503 39.559 39.000 0.093 0.000 1.097 1007 F HN -0.140 nan 8.300 nan 0.000 0.595 1008 Q N 1.940 121.907 119.800 0.278 0.000 2.340 1008 Q HA 0.293 4.638 4.340 0.009 0.000 0.249 1008 Q C -0.394 175.724 176.000 0.196 0.000 0.957 1008 Q CA -0.183 55.779 55.803 0.265 0.000 0.882 1008 Q CB 1.481 30.492 28.738 0.456 0.000 1.235 1008 Q HN 0.264 nan 8.270 nan 0.000 0.439 1009 L N 2.500 123.809 121.223 0.143 0.000 2.358 1009 L HA 0.175 4.520 4.340 0.009 0.000 0.274 1009 L C 0.248 177.089 176.870 -0.048 0.000 1.136 1009 L CA -0.152 54.723 54.840 0.060 0.000 0.970 1009 L CB -0.028 41.937 42.059 -0.157 0.000 1.314 1009 L HN 0.662 nan 8.230 nan 0.000 0.427 1010 S N -0.648 114.934 115.700 -0.197 0.000 2.809 1010 S HA 0.311 4.786 4.470 0.009 0.000 0.248 1010 S C 0.947 175.422 174.600 -0.208 0.000 1.071 1010 S CA 0.055 57.900 58.200 -0.592 0.000 1.059 1010 S CB 1.076 63.739 63.200 -0.895 0.000 0.923 1010 S HN 0.521 nan 8.310 nan 0.000 0.516 1011 A N 0.884 123.639 122.820 -0.109 0.000 2.147 1011 A HA 0.656 4.982 4.320 0.009 0.000 0.211 1011 A C 1.914 179.350 177.584 -0.246 0.000 1.160 1011 A CA 0.708 52.602 52.037 -0.237 0.000 0.781 1011 A CB -0.803 17.951 19.000 -0.411 0.000 0.842 1011 A HN 1.558 nan 8.150 nan 0.000 0.475 1012 G N -0.966 107.743 108.800 -0.151 0.000 2.498 1012 G HA2 -0.285 3.680 3.960 0.009 0.000 0.229 1012 G HA3 -0.285 3.680 3.960 0.009 0.000 0.229 1012 G C 0.396 175.232 174.900 -0.106 0.000 1.156 1012 G CA 0.576 45.644 45.100 -0.054 0.000 0.680 1012 G HN 0.621 nan 8.290 nan 0.000 0.512 1013 R N -0.155 120.148 120.500 -0.327 0.000 2.494 1013 R HA 0.741 5.087 4.340 0.009 0.000 0.305 1013 R C -1.330 174.616 176.300 -0.591 0.000 0.959 1013 R CA -0.446 55.502 56.100 -0.253 0.000 0.864 1013 R CB 1.116 31.341 30.300 -0.125 0.000 1.159 1013 R HN 0.319 nan 8.270 nan 0.000 0.446 1014 Y N 0.753 121.042 120.300 -0.018 0.000 2.425 1014 Y HA 0.390 4.946 4.550 0.009 0.000 0.344 1014 Y C -0.311 175.729 175.900 0.234 0.000 0.969 1014 Y CA -0.830 57.233 58.100 -0.060 0.000 1.052 1014 Y CB 2.063 40.313 38.460 -0.350 0.000 1.215 1014 Y HN 0.605 nan 8.280 nan 0.000 0.451 1015 H N 3.100 122.403 119.070 0.389 0.000 2.600 1015 H HA 0.637 5.198 4.556 0.009 0.000 0.357 1015 H C -1.737 173.924 175.328 0.554 0.000 1.106 1015 H CA -0.887 55.376 56.048 0.357 0.000 1.193 1015 H CB 1.282 31.157 29.762 0.188 0.000 1.594 1015 H HN 0.598 nan 8.280 nan 0.000 0.526 1016 Y N 1.431 121.536 120.300 -0.325 0.000 2.609 1016 Y HA 0.489 5.045 4.550 0.009 0.000 0.336 1016 Y C -1.934 173.813 175.900 -0.256 0.000 1.129 1016 Y CA -1.088 56.922 58.100 -0.151 0.000 1.040 1016 Y CB 1.291 39.773 38.460 0.035 0.000 1.310 1016 Y HN 0.699 nan 8.280 nan 0.000 0.460 1017 Q N 3.164 122.955 119.800 -0.015 0.000 2.451 1017 Q HA 0.806 5.152 4.340 0.009 0.000 0.281 1017 Q C -1.705 174.360 176.000 0.108 0.000 1.099 1017 Q CA -1.108 54.671 55.803 -0.040 0.000 0.806 1017 Q CB 3.500 32.251 28.738 0.022 0.000 1.419 1017 Q HN 0.713 nan 8.270 nan 0.000 0.427 1018 L N 0.571 121.830 121.223 0.060 0.000 2.403 1018 L HA 0.758 5.103 4.340 0.009 0.000 0.253 1018 L C -1.387 175.559 176.870 0.127 0.000 1.045 1018 L CA -1.183 53.715 54.840 0.097 0.000 0.845 1018 L CB 2.710 44.808 42.059 0.066 0.000 1.447 1018 L HN 0.455 nan 8.230 nan 0.000 0.411 1019 V N 0.955 120.976 119.914 0.177 0.000 2.653 1019 V HA 0.311 4.436 4.120 0.009 0.000 0.298 1019 V C -1.414 174.834 176.094 0.256 0.000 1.097 1019 V CA -0.462 61.957 62.300 0.198 0.000 0.908 1019 V CB 2.416 34.339 31.823 0.166 0.000 1.024 1019 V HN 0.630 nan 8.190 nan 0.000 0.435 1020 W N 6.996 128.314 121.300 0.030 0.000 2.512 1020 W HA 0.805 5.471 4.660 0.010 0.000 0.335 1020 W C -0.278 176.190 176.519 -0.085 0.000 1.088 1020 W CA -1.135 56.129 57.345 -0.135 0.000 1.236 1020 W CB 1.582 30.990 29.460 -0.087 0.000 1.307 1020 W HN 0.837 nan 8.180 nan 0.000 0.567 1021 C N 3.022 122.579 119.300 0.429 0.000 3.259 1021 C HA 0.728 5.193 4.460 0.009 0.000 0.344 1021 C C -0.889 174.163 174.990 0.103 0.000 1.401 1021 C CA -0.933 58.193 59.018 0.179 0.000 1.219 1021 C CB 1.435 29.248 27.740 0.121 0.000 1.521 1021 C HN 0.611 nan 8.230 nan 0.000 0.455 1022 Q N 0.348 120.156 119.800 0.013 0.000 2.495 1022 Q HA 0.899 5.244 4.340 0.009 0.000 0.283 1022 Q C -0.825 175.147 176.000 -0.048 0.000 1.097 1022 Q CA -0.422 55.340 55.803 -0.068 0.000 0.836 1022 Q CB 1.710 30.345 28.738 -0.172 0.000 1.426 1022 Q HN 0.753 nan 8.270 nan 0.000 0.459 1023 K N 0.000 120.353 120.400 -0.078 0.000 2.780 1023 K HA 0.000 4.326 4.320 0.009 0.000 0.191 1023 K CA 0.000 56.257 56.287 -0.050 0.000 0.838 1023 K CB 0.000 32.485 32.500 -0.024 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543