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 1jz0_1_F DATA FIRST_RESID 3 DATA SEQUENCE ITDSLAVVLQ RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR DATA SEQUENCE SLNGEWRFAW FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN DATA SEQUENCE VTYPITVNPP FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL DATA SEQUENCE WCNGRWVGYG QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM DATA SEQUENCE WRMSGIFRDV SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD DATA SEQUENCE YLRVTVSLWQ GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS DATA SEQUENCE AEIPNLYRAV VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR DATA SEQUENCE GVNRHEHHPL HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DATA SEQUENCE DRYGLYVVDE ANIETHGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS DATA SEQUENCE VIIWSLGNES GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM DATA SEQUENCE YARVDEDQPF PAVPKWSIKK WLSLPGETRP LILCEYAHAM GNSLGGFAKY DATA SEQUENCE WQAFRQYPRL QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC DATA SEQUENCE MNGLVFADRT PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL DATA SEQUENCE HWMVALDGKP LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ DATA SEQUENCE PNATAWSEAG HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFXIELG DATA SEQUENCE NKRWQFNRQS GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID DATA SEQUENCE PNAWVERWKA AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS DATA SEQUENCE RKTYRIDGSG QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP DATA SEQUENCE QENYPDRLTA AXFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR DATA SEQUENCE GDFQFNISRY SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS DATA SEQUENCE VSAEFQLSAG RYHYQLVWXQ K VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 I HA 0.000 nan 4.170 nan 0.000 0.288 3 I C 0.000 176.143 176.117 0.043 0.000 1.063 3 I CA 0.000 61.325 61.300 0.041 0.000 1.566 3 I CB 0.000 38.016 38.000 0.027 0.000 1.214 4 T N -1.955 112.631 114.554 0.053 0.000 3.100 4 T HA 0.205 4.555 4.350 -0.000 0.000 0.253 4 T C 0.790 175.527 174.700 0.062 0.000 1.118 4 T CA 0.997 63.115 62.100 0.031 0.000 1.058 4 T CB -0.466 68.417 68.868 0.026 0.000 0.953 4 T HN 0.313 nan 8.240 nan 0.000 0.515 5 D N 2.302 122.796 120.400 0.156 0.000 2.340 5 D HA 0.088 4.728 4.640 -0.000 0.000 0.220 5 D C 0.976 177.474 176.300 0.330 0.000 1.039 5 D CA 0.122 54.324 54.000 0.337 0.000 0.866 5 D CB 0.001 41.051 40.800 0.417 0.000 0.913 5 D HN 0.564 nan 8.370 nan 0.000 0.523 6 S N 0.311 116.095 115.700 0.139 0.000 2.549 6 S HA 0.046 4.516 4.470 -0.000 0.000 0.283 6 S C 1.374 176.021 174.600 0.080 0.000 1.320 6 S CA -0.648 57.595 58.200 0.073 0.000 1.058 6 S CB 1.069 64.284 63.200 0.025 0.000 0.882 6 S HN -0.116 nan 8.310 nan 0.000 0.498 7 L N 4.147 125.400 121.223 0.051 0.000 1.997 7 L HA -0.128 4.212 4.340 -0.000 0.000 0.216 7 L C 3.017 179.905 176.870 0.030 0.000 1.074 7 L CA 2.601 57.478 54.840 0.061 0.000 0.763 7 L CB -1.791 40.263 42.059 -0.009 0.000 0.890 7 L HN 1.000 nan 8.230 nan 0.000 0.434 8 A N -1.379 121.446 122.820 0.010 0.000 1.940 8 A HA -0.237 4.083 4.320 -0.000 0.000 0.221 8 A C 2.490 180.070 177.584 -0.006 0.000 1.190 8 A CA 2.434 54.474 52.037 0.005 0.000 0.647 8 A CB -1.063 17.936 19.000 -0.001 0.000 0.821 8 A HN 0.263 nan 8.150 nan 0.000 0.457 9 V N -0.911 118.990 119.914 -0.022 0.000 2.273 9 V HA -0.164 3.956 4.120 -0.000 0.000 0.242 9 V C 2.572 178.596 176.094 -0.117 0.000 1.035 9 V CA 1.722 63.987 62.300 -0.058 0.000 1.013 9 V CB -0.394 31.399 31.823 -0.050 0.000 0.652 9 V HN 0.368 nan 8.190 nan 0.000 0.452 10 V N 0.685 120.500 119.914 -0.165 0.000 2.231 10 V HA -0.306 3.814 4.120 -0.000 0.000 0.250 10 V C 2.187 178.168 176.094 -0.188 0.000 1.058 10 V CA 2.341 64.433 62.300 -0.347 0.000 1.022 10 V CB -0.756 30.801 31.823 -0.444 0.000 0.640 10 V HN 0.494 nan 8.190 nan 0.000 0.445 11 L N 0.350 121.566 121.223 -0.011 0.000 2.633 11 L HA -0.123 4.217 4.340 -0.000 0.000 0.235 11 L C 2.385 179.334 176.870 0.133 0.000 1.163 11 L CA 0.813 55.788 54.840 0.226 0.000 0.859 11 L CB -0.799 41.432 42.059 0.286 0.000 0.973 11 L HN 0.431 nan 8.230 nan 0.000 0.451 12 Q N 1.045 120.845 119.800 -0.000 0.000 2.079 12 Q HA -0.149 4.191 4.340 -0.000 0.000 0.200 12 Q C 2.312 178.253 176.000 -0.098 0.000 0.974 12 Q CA 1.494 57.277 55.803 -0.035 0.000 0.840 12 Q CB -0.044 28.661 28.738 -0.054 0.000 0.898 12 Q HN 0.223 nan 8.270 nan 0.000 0.430 13 R N 0.370 120.789 120.500 -0.136 0.000 2.105 13 R HA -0.007 4.333 4.340 -0.000 0.000 0.239 13 R C 0.340 176.444 176.300 -0.327 0.000 1.135 13 R CA 1.159 57.144 56.100 -0.193 0.000 0.967 13 R CB -0.265 29.921 30.300 -0.190 0.000 0.861 13 R HN 0.356 nan 8.270 nan 0.000 0.442 14 R N 0.749 120.943 120.500 -0.511 0.000 3.261 14 R HA -0.126 4.214 4.340 -0.000 0.000 0.257 14 R C -0.050 175.694 176.300 -0.925 0.000 1.014 14 R CA 0.411 55.733 56.100 -1.297 0.000 0.681 14 R CB -1.206 28.543 30.300 -0.919 0.000 1.155 14 R HN 0.335 nan 8.270 nan 0.000 0.424 15 D N -0.277 119.803 120.400 -0.534 0.000 2.182 15 D HA -0.191 4.449 4.640 -0.000 0.000 0.201 15 D C 1.606 177.850 176.300 -0.092 0.000 0.986 15 D CA 1.842 55.630 54.000 -0.353 0.000 0.847 15 D CB -0.153 40.231 40.800 -0.693 0.000 0.942 15 D HN 0.731 nan 8.370 nan 0.000 0.467 16 W N 1.592 122.931 121.300 0.064 0.000 3.204 16 W HA 0.134 4.794 4.660 -0.000 0.000 0.249 16 W C 0.458 177.091 176.519 0.191 0.000 1.322 16 W CA -0.116 57.367 57.345 0.229 0.000 1.593 16 W CB -0.245 29.380 29.460 0.275 0.000 1.122 16 W HN -0.166 nan 8.180 nan 0.000 0.710 17 E N 0.943 120.973 120.200 -0.283 0.000 2.995 17 E HA 0.058 4.408 4.350 -0.000 0.000 0.203 17 E C -0.772 175.720 176.600 -0.180 0.000 0.980 17 E CA -0.224 56.091 56.400 -0.141 0.000 1.172 17 E CB -0.178 29.475 29.700 -0.079 0.000 1.088 17 E HN 0.094 nan 8.360 nan 0.000 0.463 18 N N 1.226 119.839 118.700 -0.145 0.000 2.594 18 N HA 0.136 4.876 4.740 -0.000 0.000 0.280 18 N C -2.243 173.149 175.510 -0.197 0.000 1.156 18 N CA -1.951 50.979 53.050 -0.200 0.000 0.831 18 N CB 1.479 39.852 38.487 -0.190 0.000 1.379 18 N HN -0.234 nan 8.380 nan 0.000 0.536 19 P HA -0.047 nan 4.420 nan 0.000 0.220 19 P C 1.175 178.247 177.300 -0.380 0.000 1.144 19 P CA 1.058 63.834 63.100 -0.541 0.000 0.800 19 P CB 0.131 31.064 31.700 -1.278 0.000 0.772 20 G N -0.597 108.018 108.800 -0.309 0.000 2.484 20 G HA2 0.001 3.961 3.960 -0.000 0.000 0.218 20 G HA3 0.001 3.961 3.960 -0.000 0.000 0.218 20 G C 0.354 175.183 174.900 -0.118 0.000 1.130 20 G CA 0.208 45.182 45.100 -0.211 0.000 0.784 20 G HN 0.239 nan 8.290 nan 0.000 0.543 21 V N 1.222 121.088 119.914 -0.080 0.000 2.350 21 V HA 0.401 4.521 4.120 -0.000 0.000 0.285 21 V C 0.854 177.016 176.094 0.114 0.000 1.014 21 V CA 0.183 62.491 62.300 0.014 0.000 0.831 21 V CB 1.311 33.138 31.823 0.006 0.000 1.000 21 V HN 0.299 nan 8.190 nan 0.000 0.433 22 T N 0.753 115.362 114.554 0.091 0.000 3.003 22 T HA 0.355 4.705 4.350 -0.000 0.000 0.261 22 T C 0.235 174.962 174.700 0.044 0.000 1.003 22 T CA 0.234 62.382 62.100 0.080 0.000 0.917 22 T CB 0.400 69.274 68.868 0.009 0.000 1.084 22 T HN 0.704 nan 8.240 nan 0.000 0.522 23 Q N 0.394 120.267 119.800 0.121 0.000 2.687 23 Q HA 0.702 5.042 4.340 -0.000 0.000 0.295 23 Q C -2.251 173.877 176.000 0.214 0.000 0.920 23 Q CA -1.064 54.799 55.803 0.101 0.000 0.766 23 Q CB 0.981 29.701 28.738 -0.029 0.000 1.467 23 Q HN 0.239 nan 8.270 nan 0.000 0.415 24 L N 1.731 123.102 121.223 0.248 0.000 2.528 24 L HA 0.561 4.901 4.340 -0.000 0.000 0.267 24 L C -0.746 176.267 176.870 0.239 0.000 0.961 24 L CA -0.842 54.160 54.840 0.270 0.000 0.866 24 L CB 1.921 44.244 42.059 0.440 0.000 1.248 24 L HN 0.859 nan 8.230 nan 0.000 0.404 25 N N 0.887 119.686 118.700 0.165 0.000 2.741 25 N HA -0.219 4.521 4.740 -0.000 0.000 0.251 25 N C 0.179 175.768 175.510 0.131 0.000 1.112 25 N CA 0.816 53.962 53.050 0.160 0.000 0.750 25 N CB -0.767 37.808 38.487 0.148 0.000 1.119 25 N HN 0.694 nan 8.380 nan 0.000 0.561 26 R N 1.162 121.613 120.500 -0.082 0.000 2.390 26 R HA 0.401 4.741 4.340 -0.000 0.000 0.291 26 R C 0.773 176.901 176.300 -0.286 0.000 1.070 26 R CA -0.443 55.340 56.100 -0.529 0.000 1.014 26 R CB 0.611 30.602 30.300 -0.516 0.000 1.007 26 R HN 0.110 nan 8.270 nan 0.000 0.466 27 L N 2.572 123.613 121.223 -0.303 0.000 2.456 27 L HA 0.280 4.620 4.340 -0.000 0.000 0.246 27 L C 0.751 177.577 176.870 -0.073 0.000 1.238 27 L CA -0.509 54.264 54.840 -0.111 0.000 0.826 27 L CB 0.229 42.264 42.059 -0.039 0.000 1.150 27 L HN 0.739 nan 8.230 nan 0.000 0.514 28 A N 0.239 123.065 122.820 0.010 0.000 2.322 28 A HA 0.616 4.936 4.320 -0.000 0.000 0.269 28 A C 0.104 177.751 177.584 0.105 0.000 1.094 28 A CA -0.175 51.885 52.037 0.039 0.000 0.807 28 A CB 0.548 19.588 19.000 0.067 0.000 1.047 28 A HN 0.758 nan 8.150 nan 0.000 0.487 29 A N 0.819 123.656 122.820 0.027 0.000 2.332 29 A HA 0.692 5.012 4.320 -0.000 0.000 0.258 29 A C 0.065 177.644 177.584 -0.008 0.000 1.087 29 A CA 0.566 52.560 52.037 -0.071 0.000 0.802 29 A CB -0.113 18.817 19.000 -0.118 0.000 1.042 29 A HN 2.036 nan 8.150 nan 0.000 0.489 30 H N -2.456 116.528 119.070 -0.143 0.000 2.921 30 H HA 0.545 5.101 4.556 -0.000 0.000 0.287 30 H C -3.418 171.683 175.328 -0.378 0.000 1.434 30 H CA -1.509 54.409 56.048 -0.216 0.000 1.178 30 H CB 0.066 29.705 29.762 -0.204 0.000 1.836 30 H HN 0.428 nan 8.280 nan 0.000 0.495 31 P HA 0.208 nan 4.420 nan 0.000 0.272 31 P C -2.609 174.401 177.300 -0.482 0.000 1.240 31 P CA -1.525 61.347 63.100 -0.380 0.000 0.791 31 P CB -0.405 31.057 31.700 -0.396 0.000 0.978 32 P HA 0.073 nan 4.420 nan 0.000 0.261 32 P C -0.769 176.539 177.300 0.013 0.000 1.183 32 P CA 1.005 64.014 63.100 -0.153 0.000 0.761 32 P CB -0.181 31.516 31.700 -0.006 0.000 0.785 33 F N 1.236 121.316 119.950 0.217 0.000 2.538 33 F HA 0.597 5.124 4.527 -0.000 0.000 0.325 33 F C 1.138 176.917 175.800 -0.036 0.000 1.066 33 F CA -0.962 57.112 58.000 0.123 0.000 0.946 33 F CB 1.997 41.031 39.000 0.057 0.000 1.199 33 F HN 0.223 nan 8.300 nan 0.000 0.473 34 A N 0.253 123.092 122.820 0.032 0.000 2.140 34 A HA 0.274 4.594 4.320 -0.000 0.000 0.199 34 A C 0.879 178.250 177.584 -0.355 0.000 1.416 34 A CA 0.611 52.402 52.037 -0.410 0.000 1.018 34 A CB -0.064 18.118 19.000 -1.363 0.000 1.117 34 A HN 0.820 nan 8.150 nan 0.000 0.480 35 S N -0.600 115.004 115.700 -0.161 0.000 3.748 35 S HA -0.131 4.339 4.470 -0.000 0.000 0.329 35 S C 0.019 174.597 174.600 -0.036 0.000 1.104 35 S CA 0.389 58.523 58.200 -0.110 0.000 0.954 35 S CB -1.849 61.253 63.200 -0.164 0.000 0.910 35 S HN 0.504 nan 8.310 nan 0.000 0.494 36 W N 1.122 122.426 121.300 0.007 0.000 2.226 36 W HA 0.115 4.775 4.660 -0.000 0.000 0.352 36 W C 1.584 178.102 176.519 -0.002 0.000 1.277 36 W CA -0.007 57.347 57.345 0.014 0.000 1.305 36 W CB 0.103 29.571 29.460 0.013 0.000 1.193 36 W HN 0.354 nan 8.180 nan 0.000 0.596 37 R N 1.220 121.890 120.500 0.282 0.000 2.535 37 R HA 0.084 4.424 4.340 -0.000 0.000 0.323 37 R C 0.036 176.419 176.300 0.139 0.000 0.979 37 R CA -0.086 56.111 56.100 0.161 0.000 1.120 37 R CB 0.359 30.723 30.300 0.107 0.000 1.306 37 R HN 0.407 nan 8.270 nan 0.000 0.540 38 N N 0.899 119.701 118.700 0.170 0.000 2.454 38 N HA -0.011 4.729 4.740 -0.000 0.000 0.291 38 N C 0.584 176.081 175.510 -0.021 0.000 1.079 38 N CA 0.168 53.262 53.050 0.073 0.000 0.893 38 N CB 2.111 40.635 38.487 0.062 0.000 1.512 38 N HN -0.080 nan 8.380 nan 0.000 0.497 39 S N 3.252 118.919 115.700 -0.055 0.000 2.369 39 S HA -0.218 4.252 4.470 -0.000 0.000 0.225 39 S C 1.297 175.748 174.600 -0.249 0.000 1.043 39 S CA 1.340 59.461 58.200 -0.131 0.000 1.074 39 S CB -0.331 62.825 63.200 -0.073 0.000 0.962 39 S HN 0.666 nan 8.310 nan 0.000 0.433 40 E N 1.249 121.331 120.200 -0.196 0.000 2.086 40 E HA -0.178 4.172 4.350 -0.000 0.000 0.200 40 E C 2.223 178.649 176.600 -0.290 0.000 1.012 40 E CA 1.686 57.940 56.400 -0.243 0.000 0.812 40 E CB -0.622 28.985 29.700 -0.155 0.000 0.743 40 E HN 0.778 nan 8.360 nan 0.000 0.453 41 E N 0.214 120.274 120.200 -0.233 0.000 2.038 41 E HA -0.194 4.156 4.350 -0.000 0.000 0.195 41 E C 2.055 178.235 176.600 -0.700 0.000 1.000 41 E CA 1.169 57.441 56.400 -0.213 0.000 0.803 41 E CB -0.157 29.602 29.700 0.099 0.000 0.750 41 E HN 0.232 nan 8.360 nan 0.000 0.448 42 A N 1.580 123.586 122.820 -1.358 0.000 1.877 42 A HA -0.237 4.083 4.320 -0.000 0.000 0.216 42 A C 2.121 179.065 177.584 -1.067 0.000 1.186 42 A CA 1.805 52.491 52.037 -2.253 0.000 0.620 42 A CB -0.583 17.532 19.000 -1.476 0.000 0.822 42 A HN 0.137 nan 8.150 nan 0.000 0.443 43 R N -0.110 119.988 120.500 -0.670 0.000 2.127 43 R HA -0.135 4.205 4.340 -0.000 0.000 0.238 43 R C 1.452 177.510 176.300 -0.403 0.000 1.134 43 R CA 2.071 57.864 56.100 -0.512 0.000 0.975 43 R CB -0.419 29.523 30.300 -0.598 0.000 0.865 43 R HN 0.593 nan 8.270 nan 0.000 0.447 44 T N -2.784 111.560 114.554 -0.350 0.000 3.134 44 T HA 0.122 4.472 4.350 -0.000 0.000 0.260 44 T C -0.005 174.637 174.700 -0.096 0.000 1.027 44 T CA 0.121 62.102 62.100 -0.198 0.000 0.913 44 T CB 0.265 69.041 68.868 -0.154 0.000 1.046 44 T HN 0.272 nan 8.240 nan 0.000 0.553 45 D N 1.478 121.798 120.400 -0.132 0.000 2.723 45 D HA -0.152 4.488 4.640 -0.000 0.000 0.236 45 D C 0.339 176.789 176.300 0.251 0.000 1.138 45 D CA 0.394 54.464 54.000 0.116 0.000 0.676 45 D CB -0.619 40.262 40.800 0.136 0.000 1.069 45 D HN 0.503 nan 8.370 nan 0.000 0.430 46 R N -0.365 120.301 120.500 0.276 0.000 2.745 46 R HA 0.559 4.899 4.340 -0.000 0.000 0.251 46 R C -2.083 174.484 176.300 0.445 0.000 1.257 46 R CA -0.941 55.343 56.100 0.308 0.000 1.102 46 R CB -0.374 30.060 30.300 0.224 0.000 1.151 46 R HN 0.135 nan 8.270 nan 0.000 0.571 47 P HA 0.153 nan 4.420 nan 0.000 0.301 47 P C -0.984 176.360 177.300 0.074 0.000 1.337 47 P CA -0.420 62.773 63.100 0.155 0.000 0.889 47 P CB 1.681 33.442 31.700 0.102 0.000 1.050 48 S N 1.843 117.446 115.700 -0.163 0.000 2.508 48 S HA 0.133 4.603 4.470 -0.000 0.000 0.284 48 S C 1.048 175.610 174.600 -0.064 0.000 1.192 48 S CA -0.454 57.596 58.200 -0.249 0.000 1.070 48 S CB 0.594 63.358 63.200 -0.725 0.000 1.004 48 S HN 0.320 nan 8.310 nan 0.000 0.493 49 Q N 2.344 122.162 119.800 0.029 0.000 2.369 49 Q HA -0.052 4.288 4.340 -0.000 0.000 0.206 49 Q C 0.927 177.070 176.000 0.240 0.000 0.963 49 Q CA 0.522 56.402 55.803 0.128 0.000 0.894 49 Q CB -0.163 28.663 28.738 0.146 0.000 0.965 49 Q HN 0.782 nan 8.270 nan 0.000 0.475 50 Q N 0.528 120.398 119.800 0.116 0.000 2.444 50 Q HA 0.116 4.456 4.340 -0.000 0.000 0.206 50 Q C 0.150 176.201 176.000 0.085 0.000 0.948 50 Q CA 0.225 56.075 55.803 0.078 0.000 0.946 50 Q CB -0.055 28.625 28.738 -0.097 0.000 1.027 50 Q HN 0.167 nan 8.270 nan 0.000 0.513 51 L N 1.006 122.298 121.223 0.115 0.000 2.343 51 L HA 0.482 4.822 4.340 -0.000 0.000 0.278 51 L C -1.171 175.783 176.870 0.140 0.000 0.996 51 L CA -0.390 54.506 54.840 0.093 0.000 0.831 51 L CB 1.533 43.566 42.059 -0.042 0.000 1.232 51 L HN -0.110 nan 8.230 nan 0.000 0.413 52 R N 2.728 123.333 120.500 0.175 0.000 2.575 52 R HA 0.470 4.810 4.340 -0.000 0.000 0.293 52 R C -1.047 175.286 176.300 0.055 0.000 0.983 52 R CA -0.544 55.626 56.100 0.116 0.000 0.887 52 R CB 2.270 32.654 30.300 0.140 0.000 1.184 52 R HN 0.707 nan 8.270 nan 0.000 0.445 53 S N 3.147 118.867 115.700 0.034 0.000 2.562 53 S HA 0.308 4.778 4.470 -0.000 0.000 0.275 53 S C 0.858 175.472 174.600 0.023 0.000 1.281 53 S CA -0.529 57.685 58.200 0.023 0.000 1.045 53 S CB 0.566 63.787 63.200 0.035 0.000 0.962 53 S HN 0.566 nan 8.310 nan 0.000 0.503 54 L N 3.490 124.737 121.223 0.039 0.000 2.910 54 L HA 0.299 4.639 4.340 -0.000 0.000 0.252 54 L C 0.082 177.155 176.870 0.338 0.000 1.195 54 L CA -0.316 54.588 54.840 0.107 0.000 1.003 54 L CB -0.508 41.588 42.059 0.062 0.000 1.328 54 L HN 0.521 nan 8.230 nan 0.000 0.540 55 N N 1.695 120.512 118.700 0.194 0.000 2.513 55 N HA 0.480 5.220 4.740 -0.000 0.000 0.268 55 N C 0.641 176.297 175.510 0.243 0.000 1.180 55 N CA 0.758 53.920 53.050 0.188 0.000 0.948 55 N CB 1.789 40.318 38.487 0.069 0.000 1.083 55 N HN 0.338 nan 8.380 nan 0.000 0.455 56 G N 0.923 109.907 108.800 0.307 0.000 2.403 56 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.223 56 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.223 56 G C -1.377 173.777 174.900 0.425 0.000 1.287 56 G CA -0.766 44.503 45.100 0.282 0.000 0.982 56 G HN 0.452 nan 8.290 nan 0.000 0.471 57 E N -0.412 119.980 120.200 0.320 0.000 2.338 57 E HA 0.516 4.866 4.350 -0.000 0.000 0.272 57 E C -1.060 175.791 176.600 0.420 0.000 1.029 57 E CA 0.040 56.628 56.400 0.314 0.000 0.872 57 E CB 0.772 30.572 29.700 0.167 0.000 1.015 57 E HN 0.389 nan 8.360 nan 0.000 0.417 58 W N 1.399 122.774 121.300 0.125 0.000 3.038 58 W HA 0.408 5.068 4.660 -0.000 0.000 0.347 58 W C -0.571 176.050 176.519 0.169 0.000 1.219 58 W CA -0.689 56.759 57.345 0.171 0.000 1.142 58 W CB 1.005 30.614 29.460 0.249 0.000 1.484 58 W HN 0.273 nan 8.180 nan 0.000 0.586 59 R N 1.605 122.363 120.500 0.430 0.000 2.460 59 R HA 0.643 4.983 4.340 -0.000 0.000 0.303 59 R C -1.519 174.971 176.300 0.317 0.000 0.968 59 R CA -0.834 55.448 56.100 0.304 0.000 0.889 59 R CB 1.990 32.410 30.300 0.201 0.000 1.123 59 R HN 0.368 nan 8.270 nan 0.000 0.455 60 F N 1.124 121.073 119.950 -0.002 0.000 2.563 60 F HA 0.697 5.224 4.527 -0.000 0.000 0.316 60 F C -1.386 174.264 175.800 -0.250 0.000 1.076 60 F CA -0.683 57.173 58.000 -0.240 0.000 0.921 60 F CB 2.089 40.803 39.000 -0.476 0.000 1.209 60 F HN 0.657 nan 8.300 nan 0.000 0.462 61 A N 4.474 126.337 122.820 -1.595 0.000 2.517 61 A HA 0.522 4.842 4.320 -0.000 0.000 0.297 61 A C -2.421 174.282 177.584 -1.468 0.000 1.050 61 A CA -0.519 50.784 52.037 -1.224 0.000 0.694 61 A CB 0.525 19.219 19.000 -0.510 0.000 1.277 61 A HN 0.968 nan 8.150 nan 0.000 0.400 62 W N 2.650 123.173 121.300 -1.295 0.000 2.551 62 W HA 0.779 5.439 4.660 -0.000 0.000 0.330 62 W C -1.900 174.141 176.519 -0.795 0.000 1.063 62 W CA -0.438 56.365 57.345 -0.903 0.000 1.222 62 W CB 1.203 30.318 29.460 -0.574 0.000 1.349 62 W HN 0.494 nan 8.180 nan 0.000 0.536 63 F N 5.794 125.099 119.950 -1.075 0.000 2.578 63 F HA 0.335 4.862 4.527 -0.000 0.000 0.311 63 F C -1.389 173.539 175.800 -1.454 0.000 1.094 63 F CA -2.670 54.816 58.000 -0.857 0.000 0.923 63 F CB 1.478 40.156 39.000 -0.537 0.000 1.230 63 F HN 0.193 nan 8.300 nan 0.000 0.450 64 P HA 0.027 nan 4.420 nan 0.000 0.225 64 P C -0.185 177.015 177.300 -0.167 0.000 1.148 64 P CA 1.116 64.034 63.100 -0.304 0.000 0.779 64 P CB 0.548 32.318 31.700 0.115 0.000 0.780 65 A N -1.237 121.486 122.820 -0.162 0.000 2.599 65 A HA 0.503 4.823 4.320 -0.000 0.000 0.294 65 A C -2.411 175.071 177.584 -0.170 0.000 1.055 65 A CA -1.004 50.969 52.037 -0.107 0.000 0.683 65 A CB 0.490 19.490 19.000 -0.001 0.000 1.278 65 A HN -0.289 nan 8.150 nan 0.000 0.412 66 P HA -0.145 nan 4.420 nan 0.000 0.215 66 P C 0.891 178.079 177.300 -0.185 0.000 1.153 66 P CA 1.772 64.723 63.100 -0.248 0.000 0.853 66 P CB 0.199 31.724 31.700 -0.291 0.000 0.788 67 E N 0.711 120.867 120.200 -0.073 0.000 2.070 67 E HA -0.166 4.184 4.350 -0.000 0.000 0.197 67 E C 2.271 178.830 176.600 -0.068 0.000 1.004 67 E CA 1.759 58.140 56.400 -0.031 0.000 0.805 67 E CB -1.284 28.433 29.700 0.030 0.000 0.744 67 E HN 0.184 nan 8.360 nan 0.000 0.451 68 A N 1.112 123.898 122.820 -0.057 0.000 2.139 68 A HA -0.098 4.222 4.320 -0.000 0.000 0.221 68 A C 0.995 178.466 177.584 -0.188 0.000 1.159 68 A CA 0.561 52.594 52.037 -0.006 0.000 0.662 68 A CB -0.599 18.494 19.000 0.154 0.000 0.796 68 A HN 0.078 nan 8.150 nan 0.000 0.463 69 V N 1.969 121.598 119.914 -0.475 0.000 2.655 69 V HA 0.209 4.329 4.120 -0.000 0.000 0.300 69 V C -2.068 173.845 176.094 -0.302 0.000 1.044 69 V CA -1.199 60.653 62.300 -0.747 0.000 1.095 69 V CB 0.636 31.898 31.823 -0.933 0.000 0.952 69 V HN 0.352 nan 8.190 nan 0.000 0.485 70 P HA 0.336 nan 4.420 nan 0.000 0.296 70 P C 0.391 177.681 177.300 -0.016 0.000 1.306 70 P CA -0.546 62.524 63.100 -0.050 0.000 0.818 70 P CB 1.639 33.355 31.700 0.027 0.000 0.969 71 E N 1.873 122.056 120.200 -0.029 0.000 2.169 71 E HA -0.232 4.118 4.350 -0.000 0.000 0.202 71 E C 1.634 178.203 176.600 -0.053 0.000 1.016 71 E CA 2.417 58.789 56.400 -0.047 0.000 0.817 71 E CB -0.274 29.399 29.700 -0.046 0.000 0.736 71 E HN 0.453 nan 8.360 nan 0.000 0.462 72 S N -0.231 115.462 115.700 -0.013 0.000 2.400 72 S HA -0.224 4.246 4.470 -0.000 0.000 0.232 72 S C 1.441 176.025 174.600 -0.027 0.000 1.025 72 S CA 1.048 59.238 58.200 -0.016 0.000 0.993 72 S CB -0.735 62.480 63.200 0.024 0.000 0.808 72 S HN 0.545 nan 8.310 nan 0.000 0.478 73 W N 2.729 123.940 121.300 -0.149 0.000 2.308 73 W HA -0.177 4.483 4.660 -0.000 0.000 0.301 73 W C 1.594 177.996 176.519 -0.196 0.000 1.220 73 W CA 1.043 58.289 57.345 -0.165 0.000 1.240 73 W CB -0.667 28.663 29.460 -0.217 0.000 1.142 73 W HN 0.252 nan 8.180 nan 0.000 0.521 74 L N 0.044 120.960 121.223 -0.513 0.000 2.083 74 L HA -0.214 4.126 4.340 -0.000 0.000 0.209 74 L C 2.620 179.206 176.870 -0.474 0.000 1.083 74 L CA 1.521 55.938 54.840 -0.704 0.000 0.752 74 L CB -0.748 40.972 42.059 -0.565 0.000 0.899 74 L HN -0.066 nan 8.230 nan 0.000 0.433 75 E N -1.095 118.928 120.200 -0.296 0.000 2.057 75 E HA 0.053 4.403 4.350 -0.000 0.000 0.190 75 E C 0.346 176.853 176.600 -0.155 0.000 0.969 75 E CA 0.511 56.803 56.400 -0.181 0.000 0.812 75 E CB 0.112 29.745 29.700 -0.111 0.000 0.777 75 E HN 0.336 nan 8.360 nan 0.000 0.455 76 C N 1.547 120.772 119.300 -0.125 0.000 2.712 76 C HA 0.371 4.831 4.460 -0.000 0.000 0.308 76 C C -0.077 174.906 174.990 -0.012 0.000 1.201 76 C CA -1.327 57.653 59.018 -0.063 0.000 1.554 76 C CB 1.681 29.408 27.740 -0.022 0.000 2.117 76 C HN 0.232 nan 8.230 nan 0.000 0.480 77 D N 1.195 121.608 120.400 0.021 0.000 2.378 77 D HA 0.238 4.878 4.640 -0.000 0.000 0.238 77 D C -0.049 176.328 176.300 0.128 0.000 1.180 77 D CA 0.421 54.486 54.000 0.108 0.000 0.895 77 D CB 0.607 41.459 40.800 0.086 0.000 1.192 77 D HN 0.342 nan 8.370 nan 0.000 0.438 78 L N 2.231 123.555 121.223 0.168 0.000 2.439 78 L HA 0.204 4.544 4.340 -0.000 0.000 0.259 78 L C -1.108 175.801 176.870 0.065 0.000 1.129 78 L CA -1.568 53.341 54.840 0.115 0.000 0.803 78 L CB 0.586 42.714 42.059 0.115 0.000 1.161 78 L HN 0.236 nan 8.230 nan 0.000 0.462 79 P HA -0.087 nan 4.420 nan 0.000 0.215 79 P C 0.575 177.885 177.300 0.018 0.000 1.157 79 P CA 1.059 64.175 63.100 0.027 0.000 0.856 79 P CB 0.160 31.872 31.700 0.020 0.000 0.786 80 E N 0.036 120.239 120.200 0.005 0.000 2.485 80 E HA 0.274 4.624 4.350 -0.000 0.000 0.194 80 E C 0.708 177.292 176.600 -0.026 0.000 1.098 80 E CA -0.126 56.263 56.400 -0.018 0.000 0.878 80 E CB -0.681 28.992 29.700 -0.045 0.000 0.939 80 E HN 0.207 nan 8.360 nan 0.000 0.503 81 A N 1.132 123.952 122.820 -0.001 0.000 2.351 81 A HA 0.206 4.526 4.320 -0.000 0.000 0.257 81 A C -0.095 177.514 177.584 0.040 0.000 1.087 81 A CA -0.426 51.610 52.037 -0.001 0.000 0.798 81 A CB 0.490 19.517 19.000 0.046 0.000 1.033 81 A HN 0.061 nan 8.150 nan 0.000 0.488 82 D N 0.005 120.450 120.400 0.075 0.000 2.299 82 D HA 0.433 5.073 4.640 -0.000 0.000 0.243 82 D C -0.745 175.641 176.300 0.143 0.000 0.982 82 D CA -0.098 53.977 54.000 0.125 0.000 0.924 82 D CB 1.740 42.668 40.800 0.214 0.000 1.238 82 D HN 0.419 nan 8.370 nan 0.000 0.484 83 T N 0.873 115.497 114.554 0.118 0.000 2.799 83 T HA 0.473 4.823 4.350 -0.000 0.000 0.286 83 T C -0.124 174.644 174.700 0.114 0.000 0.973 83 T CA -0.389 61.788 62.100 0.127 0.000 1.035 83 T CB 1.053 69.978 68.868 0.096 0.000 0.932 83 T HN 0.059 nan 8.240 nan 0.000 0.469 84 V N 3.248 123.257 119.914 0.158 0.000 3.078 84 V HA 0.501 4.621 4.120 -0.000 0.000 0.311 84 V C -0.383 175.810 176.094 0.164 0.000 1.138 84 V CA -0.954 61.405 62.300 0.098 0.000 1.007 84 V CB 2.440 34.314 31.823 0.084 0.000 1.045 84 V HN 0.639 nan 8.190 nan 0.000 0.432 85 V N 2.387 122.366 119.914 0.107 0.000 2.509 85 V HA 0.523 4.643 4.120 -0.000 0.000 0.284 85 V C -0.204 175.941 176.094 0.085 0.000 1.047 85 V CA -0.378 61.995 62.300 0.122 0.000 0.952 85 V CB 1.553 33.422 31.823 0.077 0.000 0.988 85 V HN 0.562 nan 8.190 nan 0.000 0.469 86 V N 7.042 126.951 119.914 -0.008 0.000 2.540 86 V HA 0.518 4.638 4.120 -0.000 0.000 0.302 86 V C -2.246 173.757 176.094 -0.152 0.000 1.035 86 V CA -1.570 60.605 62.300 -0.210 0.000 0.873 86 V CB 2.660 34.027 31.823 -0.759 0.000 0.992 86 V HN 0.797 nan 8.190 nan 0.000 0.428 87 P HA 0.657 nan 4.420 nan 0.000 0.281 87 P C -0.991 176.266 177.300 -0.072 0.000 1.264 87 P CA -0.373 62.635 63.100 -0.154 0.000 0.824 87 P CB 1.848 33.457 31.700 -0.150 0.000 1.092 88 S N -0.560 115.122 115.700 -0.030 0.000 2.656 88 S HA 0.386 4.856 4.470 -0.000 0.000 0.265 88 S C -1.522 173.065 174.600 -0.021 0.000 1.110 88 S CA -0.995 57.185 58.200 -0.032 0.000 0.821 88 S CB 0.004 63.211 63.200 0.011 0.000 1.099 88 S HN 0.366 nan 8.310 nan 0.000 0.471 89 N N 0.981 119.591 118.700 -0.151 0.000 2.392 89 N HA 0.469 5.209 4.740 -0.000 0.000 0.283 89 N C 0.388 175.769 175.510 -0.215 0.000 1.003 89 N CA -0.733 52.192 53.050 -0.207 0.000 0.892 89 N CB 0.794 39.102 38.487 -0.300 0.000 1.193 89 N HN 0.827 nan 8.380 nan 0.000 0.487 90 W N 2.739 123.923 121.300 -0.194 0.000 2.392 90 W HA -0.060 4.600 4.660 -0.000 0.000 0.279 90 W C 0.864 177.370 176.519 -0.023 0.000 1.225 90 W CA 0.903 58.146 57.345 -0.170 0.000 1.233 90 W CB -0.369 28.905 29.460 -0.310 0.000 1.122 90 W HN 0.485 nan 8.180 nan 0.000 0.561 91 Q N 0.419 120.217 119.800 -0.003 0.000 2.291 91 Q HA -0.121 4.219 4.340 -0.000 0.000 0.206 91 Q C 1.981 177.957 176.000 -0.039 0.000 0.976 91 Q CA 1.519 57.343 55.803 0.035 0.000 0.875 91 Q CB -0.686 27.950 28.738 -0.171 0.000 0.927 91 Q HN 0.212 nan 8.270 nan 0.000 0.450 92 M N -0.779 118.718 119.600 -0.172 0.000 2.630 92 M HA -0.043 4.437 4.480 -0.000 0.000 0.254 92 M C 0.326 176.558 176.300 -0.113 0.000 1.092 92 M CA 1.229 56.393 55.300 -0.227 0.000 1.087 92 M CB -0.540 31.846 32.600 -0.357 0.000 1.453 92 M HN 0.329 nan 8.290 nan 0.000 0.509 93 H N -1.755 117.376 119.070 0.101 0.000 2.581 93 H HA 0.381 4.937 4.556 -0.000 0.000 0.275 93 H C 1.275 176.510 175.328 -0.155 0.000 1.126 93 H CA 0.100 56.180 56.048 0.054 0.000 1.097 93 H CB 0.540 30.465 29.762 0.271 0.000 1.626 93 H HN 0.465 nan 8.280 nan 0.000 0.565 94 G N 0.581 109.403 108.800 0.035 0.000 2.199 94 G HA2 -0.425 3.535 3.960 -0.000 0.000 0.254 94 G HA3 -0.425 3.535 3.960 -0.000 0.000 0.254 94 G C 0.632 175.433 174.900 -0.165 0.000 0.982 94 G CA 0.628 45.665 45.100 -0.105 0.000 0.632 94 G HN 0.470 nan 8.290 nan 0.000 0.529 95 Y N 1.999 122.320 120.300 0.036 0.000 2.151 95 Y HA 0.160 4.710 4.550 -0.000 0.000 0.284 95 Y C 1.760 177.451 175.900 -0.349 0.000 1.166 95 Y CA 1.748 59.733 58.100 -0.190 0.000 1.163 95 Y CB -0.190 38.156 38.460 -0.192 0.000 0.974 95 Y HN 0.681 nan 8.280 nan 0.000 0.511 96 D N -2.583 117.938 120.400 0.202 0.000 2.768 96 D HA 0.510 5.150 4.640 -0.000 0.000 0.327 96 D C -1.182 175.237 176.300 0.198 0.000 1.302 96 D CA -0.700 53.418 54.000 0.196 0.000 0.897 96 D CB 0.650 41.716 40.800 0.444 0.000 1.420 96 D HN 0.031 nan 8.370 nan 0.000 0.494 97 A N -0.294 122.644 122.820 0.196 0.000 2.327 97 A HA 0.685 5.005 4.320 -0.000 0.000 0.283 97 A C -2.401 175.232 177.584 0.081 0.000 1.127 97 A CA -1.057 51.073 52.037 0.155 0.000 0.810 97 A CB 0.013 19.150 19.000 0.227 0.000 1.066 97 A HN 0.478 nan 8.150 nan 0.000 0.492 98 P HA 0.568 nan 4.420 nan 0.000 0.286 98 P C -1.049 176.381 177.300 0.216 0.000 1.261 98 P CA -0.199 62.842 63.100 -0.097 0.000 0.821 98 P CB 0.966 32.344 31.700 -0.538 0.000 1.013 99 I N 2.382 123.173 120.570 0.369 0.000 2.474 99 I HA 0.321 4.491 4.170 -0.000 0.000 0.294 99 I C -0.442 175.892 176.117 0.361 0.000 1.005 99 I CA -0.810 60.723 61.300 0.387 0.000 1.113 99 I CB 1.470 39.618 38.000 0.247 0.000 1.289 99 I HN 0.273 nan 8.210 nan 0.000 0.436 100 Y N 5.386 125.679 120.300 -0.012 0.000 2.712 100 Y HA 0.583 5.133 4.550 -0.000 0.000 0.328 100 Y C -0.344 175.416 175.900 -0.234 0.000 0.995 100 Y CA -0.291 57.515 58.100 -0.490 0.000 1.283 100 Y CB 0.906 38.415 38.460 -1.584 0.000 1.092 100 Y HN 0.631 nan 8.280 nan 0.000 0.519 101 T N 4.176 118.210 114.554 -0.866 0.000 2.887 101 T HA 0.253 4.603 4.350 -0.000 0.000 0.288 101 T C 0.370 174.586 174.700 -0.805 0.000 1.021 101 T CA -0.541 61.094 62.100 -0.775 0.000 1.000 101 T CB 1.417 70.061 68.868 -0.373 0.000 1.034 101 T HN 0.869 nan 8.240 nan 0.000 0.467 102 N N 2.026 120.330 118.700 -0.661 0.000 2.324 102 N HA 0.021 4.761 4.740 -0.000 0.000 0.192 102 N C 1.359 176.618 175.510 -0.419 0.000 1.046 102 N CA 0.558 53.359 53.050 -0.414 0.000 0.898 102 N CB 0.261 38.528 38.487 -0.366 0.000 1.079 102 N HN 0.350 nan 8.380 nan 0.000 0.456 103 V N 0.396 119.988 119.914 -0.537 0.000 2.627 103 V HA 0.079 4.199 4.120 -0.000 0.000 0.239 103 V C 0.551 176.309 176.094 -0.560 0.000 1.077 103 V CA 0.661 62.542 62.300 -0.700 0.000 1.103 103 V CB -0.019 31.353 31.823 -0.752 0.000 0.802 103 V HN 0.277 nan 8.190 nan 0.000 0.482 104 T N 1.336 115.639 114.554 -0.418 0.000 2.867 104 T HA 0.130 4.480 4.350 -0.000 0.000 0.297 104 T C -0.410 174.139 174.700 -0.253 0.000 0.989 104 T CA 0.358 62.286 62.100 -0.287 0.000 1.159 104 T CB -0.335 68.406 68.868 -0.211 0.000 0.928 104 T HN 0.188 nan 8.240 nan 0.000 0.538 105 Y N 4.790 124.988 120.300 -0.170 0.000 2.610 105 Y HA 0.109 4.659 4.550 -0.000 0.000 0.332 105 Y C -0.999 174.770 175.900 -0.219 0.000 1.201 105 Y CA -1.862 56.126 58.100 -0.188 0.000 1.465 105 Y CB 0.397 38.747 38.460 -0.183 0.000 1.283 105 Y HN 0.560 nan 8.280 nan 0.000 0.563 106 P HA -0.125 nan 4.420 nan 0.000 0.218 106 P C 0.186 177.302 177.300 -0.307 0.000 1.149 106 P CA 1.347 64.335 63.100 -0.187 0.000 0.817 106 P CB 0.173 31.738 31.700 -0.226 0.000 0.785 107 I N -4.522 115.784 120.570 -0.441 0.000 3.205 107 I HA 0.445 4.615 4.170 -0.000 0.000 0.310 107 I C -0.445 175.535 176.117 -0.229 0.000 1.089 107 I CA -0.990 60.041 61.300 -0.448 0.000 1.023 107 I CB 1.278 38.837 38.000 -0.735 0.000 1.269 107 I HN -0.397 nan 8.210 nan 0.000 0.512 108 T N 2.350 116.812 114.554 -0.154 0.000 2.907 108 T HA 0.246 4.596 4.350 -0.000 0.000 0.298 108 T C 0.123 174.814 174.700 -0.016 0.000 1.017 108 T CA -0.413 61.656 62.100 -0.052 0.000 1.118 108 T CB 1.063 69.927 68.868 -0.006 0.000 0.948 108 T HN 0.392 nan 8.240 nan 0.000 0.531 109 V N 4.347 124.275 119.914 0.022 0.000 2.352 109 V HA 0.268 4.388 4.120 -0.000 0.000 0.253 109 V C 0.653 176.810 176.094 0.105 0.000 1.083 109 V CA -0.267 62.076 62.300 0.072 0.000 0.993 109 V CB -0.619 31.234 31.823 0.050 0.000 1.111 109 V HN 0.862 nan 8.190 nan 0.000 0.490 110 N N 5.313 124.137 118.700 0.207 0.000 2.679 110 N HA 0.244 4.984 4.740 -0.000 0.000 0.240 110 N C -2.975 172.621 175.510 0.142 0.000 1.537 110 N CA -1.184 51.974 53.050 0.180 0.000 0.793 110 N CB 1.462 40.105 38.487 0.261 0.000 1.391 110 N HN 0.284 nan 8.380 nan 0.000 0.524 111 P HA 0.189 nan 4.420 nan 0.000 0.266 111 P C -2.348 174.653 177.300 -0.498 0.000 1.195 111 P CA -0.738 61.918 63.100 -0.740 0.000 0.768 111 P CB 0.371 31.376 31.700 -1.159 0.000 0.838 112 P HA 0.262 nan 4.420 nan 0.000 0.248 112 P C -0.743 176.420 177.300 -0.228 0.000 1.708 112 P CA -0.276 62.575 63.100 -0.415 0.000 1.062 112 P CB -0.284 31.184 31.700 -0.386 0.000 1.562 113 F N -0.365 119.720 119.950 0.225 0.000 2.404 113 F HA 0.292 4.819 4.527 -0.000 0.000 0.345 113 F C 1.054 177.031 175.800 0.294 0.000 1.110 113 F CA -1.172 56.966 58.000 0.229 0.000 1.130 113 F CB 1.298 40.375 39.000 0.128 0.000 1.129 113 F HN -0.292 nan 8.300 nan 0.000 0.500 114 V N 4.210 124.421 119.914 0.496 0.000 2.863 114 V HA 0.345 4.465 4.120 -0.000 0.000 0.307 114 V C -1.856 174.424 176.094 0.310 0.000 1.061 114 V CA -1.796 60.721 62.300 0.361 0.000 1.024 114 V CB 1.518 33.651 31.823 0.516 0.000 1.049 114 V HN 0.542 nan 8.190 nan 0.000 0.471 115 P HA 0.096 nan 4.420 nan 0.000 0.274 115 P C 0.802 178.256 177.300 0.257 0.000 1.231 115 P CA 0.049 63.257 63.100 0.181 0.000 0.790 115 P CB 0.604 32.369 31.700 0.109 0.000 0.951 116 T N -0.265 114.404 114.554 0.192 0.000 2.759 116 T HA -0.168 4.182 4.350 -0.000 0.000 0.269 116 T C 0.314 175.128 174.700 0.190 0.000 1.042 116 T CA 1.257 63.470 62.100 0.188 0.000 1.140 116 T CB -0.638 68.305 68.868 0.126 0.000 0.864 116 T HN 0.398 nan 8.240 nan 0.000 0.455 117 E N 2.822 123.138 120.200 0.194 0.000 1.963 117 E HA 0.428 4.778 4.350 -0.000 0.000 0.274 117 E C -0.671 176.084 176.600 0.259 0.000 1.061 117 E CA -0.313 56.202 56.400 0.192 0.000 0.847 117 E CB 0.439 30.258 29.700 0.197 0.000 1.083 117 E HN 0.442 nan 8.360 nan 0.000 0.402 118 N N 3.346 122.152 118.700 0.177 0.000 2.540 118 N HA 0.295 5.035 4.740 -0.000 0.000 0.275 118 N C -2.818 172.666 175.510 -0.043 0.000 1.053 118 N CA -2.682 50.473 53.050 0.174 0.000 0.876 118 N CB 1.205 39.853 38.487 0.268 0.000 1.284 118 N HN -0.028 nan 8.380 nan 0.000 0.518 119 P HA -0.009 nan 4.420 nan 0.000 0.253 119 P C -0.721 176.457 177.300 -0.203 0.000 1.170 119 P CA 0.587 63.584 63.100 -0.172 0.000 0.806 119 P CB -0.042 31.841 31.700 0.306 0.000 0.775 120 T N 2.760 116.991 114.554 -0.538 0.000 2.829 120 T HA 0.581 4.931 4.350 -0.000 0.000 0.282 120 T C 0.598 174.883 174.700 -0.691 0.000 0.990 120 T CA -0.469 61.376 62.100 -0.426 0.000 1.028 120 T CB 1.530 70.155 68.868 -0.405 0.000 0.951 120 T HN 0.301 nan 8.240 nan 0.000 0.460 121 G N 0.973 109.513 108.800 -0.433 0.000 2.605 121 G HA2 0.487 4.447 3.960 -0.000 0.000 0.304 121 G HA3 0.487 4.447 3.960 -0.000 0.000 0.304 121 G C -0.380 174.460 174.900 -0.100 0.000 1.333 121 G CA -0.487 44.356 45.100 -0.429 0.000 0.973 121 G HN 0.904 nan 8.290 nan 0.000 0.507 122 C N 3.073 122.028 119.300 -0.575 0.000 2.246 122 C HA 0.513 4.973 4.460 -0.000 0.000 0.329 122 C C -0.575 174.361 174.990 -0.089 0.000 1.221 122 C CA -1.140 57.528 59.018 -0.584 0.000 1.697 122 C CB -1.700 25.032 27.740 -1.680 0.000 2.312 122 C HN 0.595 nan 8.230 nan 0.000 0.509 123 Y N 1.698 122.212 120.300 0.356 0.000 2.387 123 Y HA 0.628 5.178 4.550 -0.000 0.000 0.336 123 Y C 0.726 177.099 175.900 0.789 0.000 1.067 123 Y CA -0.511 57.956 58.100 0.613 0.000 1.114 123 Y CB 1.383 40.200 38.460 0.594 0.000 1.208 123 Y HN 0.701 nan 8.280 nan 0.000 0.458 124 S N 3.080 119.275 115.700 0.825 0.000 2.546 124 S HA 0.832 5.302 4.470 -0.000 0.000 0.274 124 S C -1.557 173.124 174.600 0.135 0.000 1.121 124 S CA -0.885 57.604 58.200 0.481 0.000 0.887 124 S CB 2.342 65.781 63.200 0.398 0.000 1.094 124 S HN 0.672 nan 8.310 nan 0.000 0.474 125 L N 0.826 121.981 121.223 -0.113 0.000 2.565 125 L HA 0.663 5.003 4.340 -0.000 0.000 0.261 125 L C -1.536 175.303 176.870 -0.052 0.000 0.932 125 L CA 0.004 54.603 54.840 -0.401 0.000 0.878 125 L CB 2.192 43.398 42.059 -1.421 0.000 1.333 125 L HN 0.770 nan 8.230 nan 0.000 0.409 126 T N 5.299 119.841 114.554 -0.021 0.000 2.794 126 T HA 0.780 5.130 4.350 -0.000 0.000 0.280 126 T C -0.884 173.908 174.700 0.154 0.000 0.987 126 T CA -0.080 62.055 62.100 0.058 0.000 0.993 126 T CB 0.619 69.466 68.868 -0.035 0.000 0.939 126 T HN 0.488 nan 8.240 nan 0.000 0.449 127 F N 0.679 120.548 119.950 -0.135 0.000 2.741 127 F HA 0.693 5.220 4.527 -0.000 0.000 0.313 127 F C -1.044 174.699 175.800 -0.096 0.000 1.153 127 F CA -1.509 56.418 58.000 -0.122 0.000 0.931 127 F CB 1.260 40.177 39.000 -0.139 0.000 1.335 127 F HN 0.273 nan 8.300 nan 0.000 0.460 128 N N -0.131 118.520 118.700 -0.081 0.000 2.466 128 N HA 0.751 5.491 4.740 -0.000 0.000 0.294 128 N C -1.739 173.719 175.510 -0.085 0.000 1.129 128 N CA -0.621 52.338 53.050 -0.153 0.000 0.931 128 N CB 2.214 40.641 38.487 -0.101 0.000 1.193 128 N HN 0.591 nan 8.380 nan 0.000 0.500 129 V N 0.957 120.779 119.914 -0.154 0.000 2.577 129 V HA 0.260 4.380 4.120 -0.000 0.000 0.303 129 V C -0.586 175.382 176.094 -0.211 0.000 1.042 129 V CA -1.030 61.170 62.300 -0.166 0.000 0.872 129 V CB 1.540 33.322 31.823 -0.070 0.000 0.998 129 V HN 0.671 nan 8.190 nan 0.000 0.423 130 D N 3.404 123.579 120.400 -0.376 0.000 2.455 130 D HA -0.012 4.628 4.640 -0.000 0.000 0.241 130 D C 1.274 177.490 176.300 -0.139 0.000 1.138 130 D CA 0.181 54.010 54.000 -0.285 0.000 0.877 130 D CB 1.300 41.880 40.800 -0.367 0.000 1.187 130 D HN 0.821 nan 8.370 nan 0.000 0.451 131 E N 2.589 122.755 120.200 -0.057 0.000 2.274 131 E HA -0.203 4.147 4.350 -0.000 0.000 0.194 131 E C 1.399 178.038 176.600 0.066 0.000 0.996 131 E CA 0.914 57.322 56.400 0.014 0.000 0.840 131 E CB -0.171 29.533 29.700 0.008 0.000 0.772 131 E HN 0.435 nan 8.360 nan 0.000 0.491 132 S N 0.335 116.069 115.700 0.056 0.000 2.380 132 S HA -0.204 4.266 4.470 -0.000 0.000 0.229 132 S C 1.557 176.260 174.600 0.172 0.000 1.043 132 S CA 1.487 59.753 58.200 0.109 0.000 1.038 132 S CB -0.745 62.526 63.200 0.119 0.000 0.872 132 S HN 0.538 nan 8.310 nan 0.000 0.456 133 W N 1.214 122.382 121.300 -0.220 0.000 2.402 133 W HA 0.241 4.901 4.660 -0.000 0.000 0.286 133 W C 2.274 178.750 176.519 -0.072 0.000 1.221 133 W CA 0.133 57.220 57.345 -0.431 0.000 1.257 133 W CB -0.961 28.270 29.460 -0.382 0.000 1.120 133 W HN 0.327 nan 8.180 nan 0.000 0.551 134 L N -0.273 121.091 121.223 0.235 0.000 2.291 134 L HA -0.188 4.152 4.340 -0.000 0.000 0.214 134 L C 2.246 179.196 176.870 0.135 0.000 1.120 134 L CA 0.987 55.932 54.840 0.176 0.000 0.799 134 L CB -0.357 41.772 42.059 0.117 0.000 0.925 134 L HN 0.027 nan 8.230 nan 0.000 0.446 135 Q N -0.322 119.551 119.800 0.122 0.000 1.864 135 Q HA -0.098 4.242 4.340 -0.000 0.000 0.219 135 Q C 0.898 176.960 176.000 0.103 0.000 0.975 135 Q CA 0.965 56.824 55.803 0.094 0.000 0.862 135 Q CB -0.115 28.670 28.738 0.078 0.000 0.913 135 Q HN 0.230 nan 8.270 nan 0.000 0.431 136 E N 0.674 120.946 120.200 0.120 0.000 2.292 136 E HA 0.399 4.749 4.350 -0.000 0.000 0.258 136 E C 0.489 177.188 176.600 0.164 0.000 1.115 136 E CA 0.135 56.602 56.400 0.111 0.000 0.929 136 E CB 0.476 30.226 29.700 0.084 0.000 1.161 136 E HN 0.411 nan 8.360 nan 0.000 0.453 137 G N 0.596 109.417 108.800 0.035 0.000 2.645 137 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.239 137 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.239 137 G C -0.830 173.974 174.900 -0.161 0.000 1.331 137 G CA 0.242 45.250 45.100 -0.153 0.000 0.890 137 G HN 0.844 nan 8.290 nan 0.000 0.572 138 Q N -0.574 118.971 119.800 -0.425 0.000 2.347 138 Q HA 0.644 4.984 4.340 -0.000 0.000 0.271 138 Q C -1.324 174.532 176.000 -0.241 0.000 1.064 138 Q CA -0.453 55.213 55.803 -0.227 0.000 0.800 138 Q CB 1.981 30.637 28.738 -0.136 0.000 1.304 138 Q HN 0.652 nan 8.270 nan 0.000 0.438 139 T N 4.729 119.293 114.554 0.018 0.000 2.815 139 T HA 0.518 4.868 4.350 -0.000 0.000 0.289 139 T C -0.751 174.029 174.700 0.133 0.000 1.000 139 T CA -0.643 61.526 62.100 0.115 0.000 0.958 139 T CB 0.680 69.746 68.868 0.330 0.000 0.944 139 T HN 0.640 nan 8.240 nan 0.000 0.442 140 R N 3.318 123.876 120.500 0.096 0.000 2.854 140 R HA 0.740 5.080 4.340 -0.000 0.000 0.271 140 R C -1.257 175.108 176.300 0.109 0.000 0.994 140 R CA -0.974 55.197 56.100 0.118 0.000 0.945 140 R CB 1.673 32.028 30.300 0.092 0.000 1.194 140 R HN 0.519 nan 8.270 nan 0.000 0.476 141 I N 2.653 123.292 120.570 0.114 0.000 2.525 141 I HA 0.478 4.648 4.170 -0.000 0.000 0.301 141 I C -1.076 175.037 176.117 -0.006 0.000 0.992 141 I CA -1.466 59.845 61.300 0.018 0.000 1.162 141 I CB 1.600 39.599 38.000 -0.002 0.000 1.332 141 I HN 0.661 nan 8.210 nan 0.000 0.458 142 I N 6.461 126.904 120.570 -0.211 0.000 2.512 142 I HA 0.263 4.433 4.170 -0.000 0.000 0.287 142 I C -1.359 174.492 176.117 -0.443 0.000 1.069 142 I CA -0.403 60.782 61.300 -0.192 0.000 1.056 142 I CB 1.863 39.804 38.000 -0.097 0.000 1.229 142 I HN 0.329 nan 8.210 nan 0.000 0.429 143 F N 4.334 124.282 119.950 -0.003 0.000 2.334 143 F HA 0.276 4.803 4.527 -0.000 0.000 0.367 143 F C 1.325 177.022 175.800 -0.173 0.000 1.115 143 F CA -0.430 57.497 58.000 -0.122 0.000 1.116 143 F CB 0.737 39.641 39.000 -0.159 0.000 1.230 143 F HN 0.469 nan 8.300 nan 0.000 0.484 144 D N 2.361 122.703 120.400 -0.097 0.000 2.310 144 D HA 0.057 4.697 4.640 -0.000 0.000 0.212 144 D C 0.951 177.097 176.300 -0.258 0.000 0.965 144 D CA 0.904 54.799 54.000 -0.176 0.000 0.879 144 D CB 0.367 41.025 40.800 -0.236 0.000 0.921 144 D HN 0.663 nan 8.370 nan 0.000 0.510 145 G N -0.704 107.870 108.800 -0.376 0.000 2.617 145 G HA2 0.408 4.368 3.960 -0.000 0.000 0.305 145 G HA3 0.408 4.368 3.960 -0.000 0.000 0.305 145 G C -1.589 172.849 174.900 -0.771 0.000 1.436 145 G CA -0.526 44.180 45.100 -0.657 0.000 1.036 145 G HN -0.060 nan 8.290 nan 0.000 0.589 146 V N 2.429 122.126 119.914 -0.363 0.000 2.567 146 V HA 0.540 4.660 4.120 -0.000 0.000 0.298 146 V C -0.803 175.341 176.094 0.084 0.000 1.047 146 V CA -1.167 60.992 62.300 -0.236 0.000 0.880 146 V CB 1.835 33.259 31.823 -0.666 0.000 1.009 146 V HN 0.782 nan 8.190 nan 0.000 0.429 147 N N 2.559 121.372 118.700 0.188 0.000 2.392 147 N HA 0.378 5.118 4.740 -0.000 0.000 0.283 147 N C 0.710 176.179 175.510 -0.068 0.000 1.003 147 N CA 0.171 53.263 53.050 0.070 0.000 0.892 147 N CB 2.406 40.855 38.487 -0.062 0.000 1.193 147 N HN 0.632 nan 8.380 nan 0.000 0.487 148 S N 2.241 117.924 115.700 -0.028 0.000 2.514 148 S HA 0.509 4.979 4.470 -0.000 0.000 0.223 148 S C 0.485 175.149 174.600 0.107 0.000 1.046 148 S CA 0.280 58.514 58.200 0.057 0.000 0.914 148 S CB 0.163 63.415 63.200 0.087 0.000 0.807 148 S HN 0.706 nan 8.310 nan 0.000 0.497 149 A N 0.718 123.612 122.820 0.123 0.000 2.566 149 A HA 0.849 5.169 4.320 -0.000 0.000 0.292 149 A C -1.168 176.560 177.584 0.240 0.000 1.112 149 A CA -0.968 51.133 52.037 0.106 0.000 0.707 149 A CB 1.079 20.162 19.000 0.138 0.000 1.302 149 A HN 1.218 nan 8.150 nan 0.000 0.409 150 F N -0.983 118.833 119.950 -0.224 0.000 2.746 150 F HA 0.624 5.151 4.527 -0.000 0.000 0.311 150 F C -1.464 174.322 175.800 -0.022 0.000 1.135 150 F CA -0.812 57.149 58.000 -0.065 0.000 0.954 150 F CB 0.874 39.811 39.000 -0.105 0.000 1.276 150 F HN 0.654 nan 8.300 nan 0.000 0.440 151 H N 1.945 121.189 119.070 0.291 0.000 2.533 151 H HA 0.821 5.377 4.556 -0.000 0.000 0.343 151 H C -1.350 174.059 175.328 0.136 0.000 1.160 151 H CA -0.678 55.488 56.048 0.197 0.000 1.218 151 H CB 2.325 32.273 29.762 0.310 0.000 1.566 151 H HN 0.859 nan 8.280 nan 0.000 0.522 152 L N 1.902 123.031 121.223 -0.156 0.000 2.455 152 L HA 0.408 4.748 4.340 -0.000 0.000 0.264 152 L C -1.871 174.715 176.870 -0.474 0.000 0.968 152 L CA -0.507 54.248 54.840 -0.141 0.000 0.827 152 L CB 1.871 43.789 42.059 -0.235 0.000 1.317 152 L HN 0.502 nan 8.230 nan 0.000 0.407 153 W N 4.030 125.302 121.300 -0.046 0.000 2.864 153 W HA 0.649 5.309 4.660 -0.000 0.000 0.343 153 W C -1.164 175.287 176.519 -0.113 0.000 1.109 153 W CA -0.827 56.460 57.345 -0.097 0.000 1.192 153 W CB 2.114 31.547 29.460 -0.044 0.000 1.426 153 W HN 0.689 nan 8.180 nan 0.000 0.529 154 C N 4.736 124.118 119.300 0.138 0.000 2.446 154 C HA 0.294 4.754 4.460 -0.000 0.000 0.329 154 C C 0.014 175.113 174.990 0.181 0.000 1.166 154 C CA -0.429 58.644 59.018 0.093 0.000 1.341 154 C CB -0.613 27.096 27.740 -0.052 0.000 1.970 154 C HN 0.795 nan 8.230 nan 0.000 0.452 155 N N 3.868 122.639 118.700 0.118 0.000 2.725 155 N HA -0.183 4.557 4.740 -0.000 0.000 0.251 155 N C 1.010 176.582 175.510 0.103 0.000 1.031 155 N CA 2.012 55.109 53.050 0.078 0.000 0.720 155 N CB -1.287 37.246 38.487 0.077 0.000 0.930 155 N HN 1.895 nan 8.380 nan 0.000 0.543 156 G N -1.205 107.641 108.800 0.077 0.000 2.234 156 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.260 156 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.260 156 G C 0.232 175.310 174.900 0.296 0.000 0.987 156 G CA 0.664 45.803 45.100 0.065 0.000 0.625 156 G HN 0.576 nan 8.290 nan 0.000 0.532 157 R N -0.731 120.011 120.500 0.402 0.000 2.297 157 R HA 0.432 4.772 4.340 -0.000 0.000 0.308 157 R C -0.051 176.570 176.300 0.534 0.000 1.029 157 R CA -0.873 55.542 56.100 0.526 0.000 0.929 157 R CB 0.608 31.235 30.300 0.545 0.000 1.046 157 R HN 0.260 nan 8.270 nan 0.000 0.461 158 W N 4.103 125.551 121.300 0.247 0.000 2.251 158 W HA 0.069 4.729 4.660 -0.000 0.000 0.327 158 W C -0.067 176.286 176.519 -0.276 0.000 1.361 158 W CA 0.056 57.122 57.345 -0.466 0.000 1.234 158 W CB 0.625 29.838 29.460 -0.413 0.000 1.212 158 W HN 0.349 nan 8.180 nan 0.000 0.557 159 V N 4.955 123.941 119.914 -1.546 0.000 2.840 159 V HA 0.585 4.705 4.120 -0.000 0.000 0.234 159 V C 0.970 176.014 176.094 -1.750 0.000 1.159 159 V CA 0.848 62.339 62.300 -1.349 0.000 1.194 159 V CB -0.331 30.792 31.823 -1.167 0.000 0.971 159 V HN 0.788 nan 8.190 nan 0.000 0.494 160 G N -1.698 105.905 108.800 -1.995 0.000 2.489 160 G HA2 0.507 4.467 3.960 -0.000 0.000 0.305 160 G HA3 0.507 4.467 3.960 -0.000 0.000 0.305 160 G C -2.455 172.172 174.900 -0.455 0.000 1.311 160 G CA -0.263 44.119 45.100 -1.196 0.000 0.813 160 G HN 0.033 nan 8.290 nan 0.000 0.480 161 Y N -0.685 119.500 120.300 -0.192 0.000 2.588 161 Y HA 0.725 5.275 4.550 -0.000 0.000 0.343 161 Y C -0.076 175.663 175.900 -0.269 0.000 1.065 161 Y CA -0.087 57.809 58.100 -0.339 0.000 1.038 161 Y CB 2.260 40.635 38.460 -0.142 0.000 1.297 161 Y HN 1.260 nan 8.280 nan 0.000 0.467 162 G N 3.085 111.106 108.800 -1.299 0.000 2.720 162 G HA2 0.575 4.535 3.960 -0.000 0.000 0.295 162 G HA3 0.575 4.535 3.960 -0.000 0.000 0.295 162 G C -2.229 172.215 174.900 -0.761 0.000 1.437 162 G CA -0.939 43.677 45.100 -0.807 0.000 0.886 162 G HN 0.620 nan 8.290 nan 0.000 0.509 163 Q N -0.217 119.386 119.800 -0.329 0.000 2.587 163 Q HA 0.613 4.953 4.340 -0.000 0.000 0.293 163 Q C -1.401 174.595 176.000 -0.007 0.000 1.083 163 Q CA -0.892 54.832 55.803 -0.131 0.000 0.792 163 Q CB 2.797 31.504 28.738 -0.053 0.000 1.484 163 Q HN 0.670 nan 8.270 nan 0.000 0.446 164 D N -0.121 120.313 120.400 0.057 0.000 4.370 164 D HA -0.101 4.539 4.640 -0.000 0.000 0.238 164 D C -0.329 176.030 176.300 0.099 0.000 1.104 164 D CA 0.667 54.718 54.000 0.084 0.000 1.101 164 D CB -0.684 40.153 40.800 0.062 0.000 0.749 164 D HN 0.568 nan 8.370 nan 0.000 0.351 165 S N 3.450 119.226 115.700 0.127 0.000 2.469 165 S HA -0.136 4.334 4.470 -0.000 0.000 0.238 165 S C 1.635 176.353 174.600 0.196 0.000 0.998 165 S CA 0.691 58.994 58.200 0.172 0.000 0.957 165 S CB 0.157 63.458 63.200 0.169 0.000 0.764 165 S HN 0.559 nan 8.310 nan 0.000 0.514 166 R N 0.026 120.612 120.500 0.143 0.000 2.334 166 R HA 0.406 4.746 4.340 -0.000 0.000 0.212 166 R C 0.043 176.398 176.300 0.093 0.000 0.897 166 R CA 0.095 56.278 56.100 0.139 0.000 1.056 166 R CB -0.067 30.336 30.300 0.171 0.000 1.046 166 R HN 0.368 nan 8.270 nan 0.000 0.513 167 L N 1.337 122.593 121.223 0.055 0.000 2.303 167 L HA 0.479 4.819 4.340 -0.000 0.000 0.266 167 L C -2.296 174.561 176.870 -0.022 0.000 1.011 167 L CA -2.412 52.434 54.840 0.009 0.000 0.818 167 L CB 1.839 43.897 42.059 -0.003 0.000 1.326 167 L HN -0.239 nan 8.230 nan 0.000 0.435 168 P HA 0.118 nan 4.420 nan 0.000 0.269 168 P C -1.119 176.166 177.300 -0.025 0.000 1.209 168 P CA -0.179 62.890 63.100 -0.052 0.000 0.776 168 P CB 0.876 32.508 31.700 -0.113 0.000 0.876 169 S N 1.418 117.161 115.700 0.072 0.000 2.502 169 S HA 0.384 4.854 4.470 -0.000 0.000 0.304 169 S C -0.637 173.986 174.600 0.039 0.000 1.097 169 S CA -0.626 57.606 58.200 0.053 0.000 1.045 169 S CB 1.047 64.400 63.200 0.255 0.000 1.019 169 S HN 0.347 nan 8.310 nan 0.000 0.481 170 E N 1.913 121.933 120.200 -0.300 0.000 2.266 170 E HA 0.648 4.998 4.350 -0.000 0.000 0.268 170 E C -1.514 174.774 176.600 -0.520 0.000 0.879 170 E CA -0.669 55.616 56.400 -0.192 0.000 0.762 170 E CB 1.690 31.373 29.700 -0.027 0.000 1.199 170 E HN 0.412 nan 8.360 nan 0.000 0.422 171 F N 0.062 120.064 119.950 0.086 0.000 2.588 171 F HA 0.265 4.792 4.527 -0.000 0.000 0.310 171 F C -0.208 175.616 175.800 0.039 0.000 1.082 171 F CA -1.304 56.721 58.000 0.041 0.000 0.929 171 F CB 1.196 40.187 39.000 -0.014 0.000 1.254 171 F HN 0.248 nan 8.300 nan 0.000 0.455 172 D N 2.170 122.725 120.400 0.257 0.000 2.336 172 D HA 0.239 4.879 4.640 -0.000 0.000 0.249 172 D C 0.518 176.949 176.300 0.218 0.000 1.213 172 D CA 0.346 54.462 54.000 0.193 0.000 0.870 172 D CB 0.966 41.866 40.800 0.166 0.000 1.076 172 D HN 0.593 nan 8.370 nan 0.000 0.483 173 L N 2.531 123.880 121.223 0.210 0.000 2.477 173 L HA -0.052 4.288 4.340 -0.000 0.000 0.220 173 L C 2.208 179.318 176.870 0.400 0.000 1.106 173 L CA -0.046 54.941 54.840 0.246 0.000 0.851 173 L CB -0.076 42.103 42.059 0.200 0.000 0.994 173 L HN 0.340 nan 8.230 nan 0.000 0.462 174 S N 1.124 116.996 115.700 0.287 0.000 2.461 174 S HA -0.365 4.105 4.470 -0.000 0.000 0.266 174 S C 1.789 176.514 174.600 0.208 0.000 1.138 174 S CA 2.126 60.460 58.200 0.224 0.000 1.146 174 S CB -0.315 62.974 63.200 0.148 0.000 1.042 174 S HN 0.588 nan 8.310 nan 0.000 0.448 175 A N -1.002 121.950 122.820 0.221 0.000 2.278 175 A HA 0.420 4.740 4.320 -0.000 0.000 0.212 175 A C 0.959 178.443 177.584 -0.166 0.000 1.213 175 A CA 0.144 52.159 52.037 -0.038 0.000 0.840 175 A CB -0.266 18.569 19.000 -0.275 0.000 0.866 175 A HN 0.484 nan 8.150 nan 0.000 0.489 176 F N -1.055 118.934 119.950 0.065 0.000 2.767 176 F HA 0.374 4.901 4.527 -0.000 0.000 0.323 176 F C 0.467 176.299 175.800 0.054 0.000 1.091 176 F CA -0.681 57.354 58.000 0.058 0.000 1.192 176 F CB -0.035 39.002 39.000 0.063 0.000 1.056 176 F HN -0.063 nan 8.300 nan 0.000 0.571 177 L N 1.821 123.211 121.223 0.278 0.000 2.417 177 L HA 0.422 4.762 4.340 -0.000 0.000 0.268 177 L C 0.260 177.182 176.870 0.088 0.000 1.158 177 L CA -0.206 54.734 54.840 0.167 0.000 0.819 177 L CB 0.788 42.964 42.059 0.196 0.000 1.112 177 L HN 0.020 nan 8.230 nan 0.000 0.458 178 R N 1.258 121.772 120.500 0.023 0.000 2.854 178 R HA 0.685 5.025 4.340 -0.000 0.000 0.271 178 R C -0.686 175.592 176.300 -0.036 0.000 0.996 178 R CA -0.943 55.152 56.100 -0.009 0.000 0.961 178 R CB 1.840 32.120 30.300 -0.035 0.000 1.182 178 R HN 0.700 nan 8.270 nan 0.000 0.479 179 A N 0.906 123.708 122.820 -0.030 0.000 2.407 179 A HA 0.547 4.867 4.320 -0.000 0.000 0.248 179 A C 0.944 178.477 177.584 -0.084 0.000 1.082 179 A CA 0.840 52.849 52.037 -0.047 0.000 0.785 179 A CB -0.119 18.863 19.000 -0.030 0.000 1.020 179 A HN 0.897 nan 8.150 nan 0.000 0.489 180 G N 0.808 109.544 108.800 -0.106 0.000 2.536 180 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.277 180 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.277 180 G C 0.137 174.916 174.900 -0.202 0.000 1.155 180 G CA 0.363 45.385 45.100 -0.129 0.000 0.960 180 G HN 1.005 nan 8.290 nan 0.000 0.544 181 E N 2.409 122.495 120.200 -0.189 0.000 2.265 181 E HA 0.267 4.617 4.350 -0.000 0.000 0.272 181 E C -0.064 176.335 176.600 -0.335 0.000 1.067 181 E CA -0.031 56.219 56.400 -0.249 0.000 0.900 181 E CB 0.010 29.612 29.700 -0.164 0.000 1.017 181 E HN 0.387 nan 8.360 nan 0.000 0.431 182 N N 3.084 121.412 118.700 -0.619 0.000 2.328 182 N HA 0.415 5.155 4.740 -0.000 0.000 0.299 182 N C -0.758 174.431 175.510 -0.534 0.000 1.179 182 N CA -0.671 51.986 53.050 -0.655 0.000 0.793 182 N CB 2.207 40.152 38.487 -0.903 0.000 1.366 182 N HN 0.287 nan 8.380 nan 0.000 0.493 183 R N 1.611 121.996 120.500 -0.191 0.000 2.538 183 R HA 0.422 4.762 4.340 -0.000 0.000 0.292 183 R C -1.316 175.055 176.300 0.119 0.000 1.008 183 R CA -0.477 55.623 56.100 0.000 0.000 0.896 183 R CB 1.067 31.328 30.300 -0.064 0.000 1.187 183 R HN 0.509 nan 8.270 nan 0.000 0.440 184 L N 2.939 124.295 121.223 0.222 0.000 2.325 184 L HA 0.726 5.066 4.340 -0.000 0.000 0.279 184 L C -0.074 176.884 176.870 0.147 0.000 1.054 184 L CA -0.916 54.048 54.840 0.206 0.000 0.804 184 L CB 1.812 44.019 42.059 0.247 0.000 1.200 184 L HN 0.665 nan 8.230 nan 0.000 0.436 185 A N 3.226 126.138 122.820 0.153 0.000 2.375 185 A HA 0.687 5.007 4.320 -0.000 0.000 0.291 185 A C -0.869 177.026 177.584 0.519 0.000 1.160 185 A CA -0.441 51.627 52.037 0.053 0.000 0.747 185 A CB 1.332 19.755 19.000 -0.962 0.000 1.170 185 A HN 0.390 nan 8.150 nan 0.000 0.458 186 V N 3.431 123.818 119.914 0.789 0.000 2.357 186 V HA 0.486 4.606 4.120 -0.000 0.000 0.284 186 V C 0.113 176.708 176.094 0.835 0.000 1.018 186 V CA -0.313 62.431 62.300 0.741 0.000 0.841 186 V CB 1.346 33.426 31.823 0.430 0.000 0.991 186 V HN 0.948 nan 8.190 nan 0.000 0.437 187 M N 6.118 126.210 119.600 0.821 0.000 2.088 187 M HA 0.601 5.081 4.480 -0.000 0.000 0.346 187 M C -1.437 175.118 176.300 0.424 0.000 1.111 187 M CA -0.332 55.285 55.300 0.529 0.000 1.017 187 M CB 1.289 34.242 32.600 0.588 0.000 1.568 187 M HN 0.476 nan 8.290 nan 0.000 0.445 188 V N 6.736 126.841 119.914 0.317 0.000 2.435 188 V HA 0.502 4.622 4.120 -0.000 0.000 0.290 188 V C -0.208 176.037 176.094 0.251 0.000 1.030 188 V CA -0.775 61.704 62.300 0.298 0.000 0.881 188 V CB 1.568 33.589 31.823 0.330 0.000 0.983 188 V HN 0.816 nan 8.190 nan 0.000 0.445 189 L N 3.089 124.404 121.223 0.153 0.000 2.334 189 L HA 0.664 5.004 4.340 -0.000 0.000 0.276 189 L C 1.194 178.027 176.870 -0.062 0.000 1.014 189 L CA -0.781 54.077 54.840 0.031 0.000 0.815 189 L CB 1.567 43.541 42.059 -0.142 0.000 1.268 189 L HN 0.468 nan 8.230 nan 0.000 0.428 190 R N 1.610 121.972 120.500 -0.230 0.000 2.075 190 R HA -0.007 4.333 4.340 -0.000 0.000 0.230 190 R C -0.278 175.637 176.300 -0.641 0.000 1.140 190 R CA 1.753 57.421 56.100 -0.720 0.000 0.928 190 R CB 0.064 29.590 30.300 -1.290 0.000 0.834 190 R HN 0.628 nan 8.270 nan 0.000 0.429 191 W N 0.294 121.648 121.300 0.091 0.000 2.449 191 W HA 0.320 4.980 4.660 -0.000 0.000 0.331 191 W C 0.061 176.689 176.519 0.182 0.000 1.119 191 W CA -0.787 56.621 57.345 0.106 0.000 1.240 191 W CB 1.312 30.836 29.460 0.108 0.000 1.251 191 W HN 0.083 nan 8.180 nan 0.000 0.576 192 S N -1.010 114.975 115.700 0.474 0.000 2.643 192 S HA 0.204 4.674 4.470 -0.000 0.000 0.270 192 S C 0.062 174.914 174.600 0.420 0.000 1.166 192 S CA -0.512 57.974 58.200 0.477 0.000 0.815 192 S CB 1.232 64.671 63.200 0.398 0.000 1.139 192 S HN 0.614 nan 8.310 nan 0.000 0.472 193 D N 0.564 121.213 120.400 0.414 0.000 2.218 193 D HA 0.063 4.703 4.640 -0.000 0.000 0.204 193 D C 1.839 178.433 176.300 0.490 0.000 0.976 193 D CA 1.194 55.471 54.000 0.461 0.000 0.853 193 D CB -0.797 40.162 40.800 0.265 0.000 0.939 193 D HN 0.712 nan 8.370 nan 0.000 0.481 194 G N 0.100 109.111 108.800 0.352 0.000 2.462 194 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.220 194 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.220 194 G C 1.742 176.817 174.900 0.293 0.000 1.121 194 G CA 0.873 46.153 45.100 0.300 0.000 0.758 194 G HN 0.316 nan 8.290 nan 0.000 0.559 195 S N -0.109 115.755 115.700 0.273 0.000 2.383 195 S HA -0.119 4.351 4.470 -0.000 0.000 0.229 195 S C 1.955 176.654 174.600 0.166 0.000 1.030 195 S CA 0.938 59.263 58.200 0.208 0.000 1.002 195 S CB -0.424 62.898 63.200 0.203 0.000 0.829 195 S HN 0.562 nan 8.310 nan 0.000 0.467 196 Y N 1.132 121.527 120.300 0.159 0.000 2.483 196 Y HA 0.027 4.577 4.550 -0.000 0.000 0.291 196 Y C 1.537 177.534 175.900 0.162 0.000 1.143 196 Y CA 0.620 58.739 58.100 0.032 0.000 1.289 196 Y CB -0.218 38.155 38.460 -0.145 0.000 0.983 196 Y HN 0.196 nan 8.280 nan 0.000 0.556 197 L N -0.010 121.404 121.223 0.318 0.000 2.700 197 L HA 0.121 4.461 4.340 -0.000 0.000 0.234 197 L C -0.003 177.010 176.870 0.237 0.000 1.156 197 L CA 0.371 55.356 54.840 0.241 0.000 0.946 197 L CB -0.007 42.189 42.059 0.228 0.000 1.216 197 L HN 0.204 nan 8.230 nan 0.000 0.493 198 E N -0.475 119.885 120.200 0.266 0.000 3.646 198 E HA 0.045 4.395 4.350 -0.000 0.000 0.211 198 E C -0.443 176.280 176.600 0.204 0.000 1.034 198 E CA -0.095 56.446 56.400 0.235 0.000 1.341 198 E CB 0.469 30.299 29.700 0.217 0.000 1.202 198 E HN 0.019 nan 8.360 nan 0.000 0.447 199 D N 1.384 121.871 120.400 0.145 0.000 2.519 199 D HA 0.005 4.645 4.640 -0.000 0.000 0.238 199 D C -0.222 176.082 176.300 0.006 0.000 1.192 199 D CA -0.009 53.964 54.000 -0.044 0.000 0.835 199 D CB 0.065 40.603 40.800 -0.437 0.000 0.975 199 D HN 0.082 nan 8.370 nan 0.000 0.490 200 Q N 0.510 120.399 119.800 0.149 0.000 2.361 200 Q HA 0.070 4.410 4.340 -0.000 0.000 0.276 200 Q C -0.036 176.085 176.000 0.202 0.000 1.022 200 Q CA 0.169 56.123 55.803 0.252 0.000 0.898 200 Q CB 0.556 29.578 28.738 0.473 0.000 1.246 200 Q HN 0.052 nan 8.270 nan 0.000 0.410 201 D N 3.392 123.942 120.400 0.251 0.000 2.489 201 D HA 0.136 4.776 4.640 -0.000 0.000 0.237 201 D C -0.788 175.695 176.300 0.305 0.000 1.212 201 D CA 0.222 54.356 54.000 0.223 0.000 1.058 201 D CB -0.415 40.545 40.800 0.268 0.000 1.098 201 D HN 0.482 nan 8.370 nan 0.000 0.509 202 M N 0.081 119.803 119.600 0.203 0.000 3.008 202 M HA 0.453 4.933 4.480 -0.000 0.000 0.271 202 M C -1.205 175.202 176.300 0.178 0.000 1.265 202 M CA -1.212 54.159 55.300 0.118 0.000 0.817 202 M CB 1.146 33.720 32.600 -0.043 0.000 1.638 202 M HN -0.103 nan 8.290 nan 0.000 0.479 203 W N 1.971 123.358 121.300 0.145 0.000 2.216 203 W HA 0.393 5.053 4.660 -0.000 0.000 0.326 203 W C 0.125 176.654 176.519 0.016 0.000 1.319 203 W CA -0.278 57.133 57.345 0.111 0.000 1.213 203 W CB 0.551 30.020 29.460 0.016 0.000 1.171 203 W HN 0.255 nan 8.180 nan 0.000 0.557 204 R N 5.003 125.687 120.500 0.307 0.000 2.204 204 R HA 0.401 4.741 4.340 -0.000 0.000 0.341 204 R C -0.167 176.158 176.300 0.042 0.000 1.035 204 R CA -0.192 56.008 56.100 0.167 0.000 0.887 204 R CB 0.246 30.688 30.300 0.237 0.000 1.114 204 R HN 0.578 nan 8.270 nan 0.000 0.473 205 M N 0.368 119.891 119.600 -0.128 0.000 2.655 205 M HA 0.506 4.986 4.480 -0.000 0.000 0.271 205 M C -0.136 175.853 176.300 -0.519 0.000 1.013 205 M CA -0.727 54.377 55.300 -0.326 0.000 0.994 205 M CB 1.994 34.388 32.600 -0.343 0.000 1.585 205 M HN 0.658 nan 8.290 nan 0.000 0.569 206 S N -1.353 113.921 115.700 -0.711 0.000 2.611 206 S HA 0.849 5.319 4.470 -0.000 0.000 0.270 206 S C -0.629 173.547 174.600 -0.706 0.000 1.131 206 S CA -0.328 57.368 58.200 -0.839 0.000 0.826 206 S CB 1.444 63.956 63.200 -1.148 0.000 1.095 206 S HN 1.428 nan 8.310 nan 0.000 0.461 207 G N 0.242 108.835 108.800 -0.344 0.000 2.318 207 G HA2 0.157 4.117 3.960 -0.000 0.000 0.367 207 G HA3 0.157 4.117 3.960 -0.000 0.000 0.367 207 G C -1.508 173.385 174.900 -0.012 0.000 1.260 207 G CA -0.543 44.582 45.100 0.041 0.000 1.055 207 G HN 1.235 nan 8.290 nan 0.000 0.484 208 I N 2.161 122.613 120.570 -0.196 0.000 2.316 208 I HA 0.307 4.477 4.170 -0.000 0.000 0.286 208 I C 1.011 177.008 176.117 -0.200 0.000 1.107 208 I CA -0.309 60.769 61.300 -0.370 0.000 1.219 208 I CB -0.031 37.546 38.000 -0.706 0.000 1.455 208 I HN 0.514 nan 8.210 nan 0.000 0.498 209 F N 3.983 123.802 119.950 -0.218 0.000 2.727 209 F HA 0.427 4.954 4.527 -0.000 0.000 0.302 209 F C 0.697 176.433 175.800 -0.107 0.000 1.097 209 F CA -0.528 57.376 58.000 -0.160 0.000 1.330 209 F CB 0.071 38.974 39.000 -0.161 0.000 1.084 209 F HN 0.121 nan 8.300 nan 0.000 0.578 210 R N 0.684 120.784 120.500 -0.666 0.000 2.912 210 R HA 0.260 4.600 4.340 -0.000 0.000 0.262 210 R C -1.002 175.135 176.300 -0.272 0.000 1.057 210 R CA -1.159 54.701 56.100 -0.401 0.000 0.981 210 R CB 0.562 30.611 30.300 -0.418 0.000 1.201 210 R HN -0.033 nan 8.270 nan 0.000 0.484 211 D N 0.779 121.081 120.400 -0.162 0.000 2.474 211 D HA 0.091 4.731 4.640 -0.000 0.000 0.232 211 D C -0.274 175.922 176.300 -0.173 0.000 1.177 211 D CA 0.435 54.358 54.000 -0.129 0.000 0.876 211 D CB 0.403 41.163 40.800 -0.066 0.000 1.208 211 D HN 0.064 nan 8.370 nan 0.000 0.464 212 V N 0.926 120.746 119.914 -0.157 0.000 2.540 212 V HA 0.653 4.773 4.120 -0.000 0.000 0.302 212 V C -0.143 175.857 176.094 -0.156 0.000 1.035 212 V CA -0.592 61.569 62.300 -0.231 0.000 0.873 212 V CB 1.611 33.309 31.823 -0.207 0.000 0.992 212 V HN 0.752 nan 8.190 nan 0.000 0.428 213 S N 4.486 120.055 115.700 -0.219 0.000 2.625 213 S HA 0.826 5.296 4.470 -0.000 0.000 0.271 213 S C -1.247 173.304 174.600 -0.081 0.000 1.161 213 S CA -0.953 57.184 58.200 -0.106 0.000 0.820 213 S CB 1.922 65.089 63.200 -0.055 0.000 1.137 213 S HN 0.469 nan 8.310 nan 0.000 0.470 214 L N 1.301 122.542 121.223 0.030 0.000 2.386 214 L HA 0.697 5.037 4.340 -0.000 0.000 0.271 214 L C -1.589 175.391 176.870 0.183 0.000 0.993 214 L CA -0.790 54.133 54.840 0.138 0.000 0.819 214 L CB 1.868 44.097 42.059 0.283 0.000 1.294 214 L HN 0.672 nan 8.230 nan 0.000 0.414 215 L N 2.395 123.685 121.223 0.112 0.000 2.409 215 L HA 0.488 4.828 4.340 -0.000 0.000 0.272 215 L C -1.057 175.717 176.870 -0.159 0.000 0.980 215 L CA -0.287 54.551 54.840 -0.003 0.000 0.826 215 L CB 1.661 43.723 42.059 0.006 0.000 1.268 215 L HN 0.486 nan 8.230 nan 0.000 0.407 216 H N 4.036 122.777 119.070 -0.549 0.000 2.556 216 H HA 0.582 5.138 4.556 -0.000 0.000 0.310 216 H C -1.157 173.884 175.328 -0.478 0.000 1.057 216 H CA -0.141 55.418 56.048 -0.816 0.000 1.264 216 H CB 0.962 29.634 29.762 -1.816 0.000 1.404 216 H HN 0.617 nan 8.280 nan 0.000 0.462 217 K N 5.426 125.332 120.400 -0.823 0.000 2.435 217 K HA 0.418 4.738 4.320 -0.000 0.000 0.251 217 K C -2.742 173.505 176.600 -0.589 0.000 0.954 217 K CA -2.460 53.491 56.287 -0.560 0.000 0.820 217 K CB 1.809 34.090 32.500 -0.365 0.000 1.292 217 K HN 0.415 nan 8.250 nan 0.000 0.436 218 P HA -0.011 nan 4.420 nan 0.000 0.271 218 P C 0.148 177.317 177.300 -0.219 0.000 1.233 218 P CA -0.100 62.850 63.100 -0.250 0.000 0.789 218 P CB 0.444 32.050 31.700 -0.156 0.000 0.951 219 T N -2.982 111.481 114.554 -0.152 0.000 2.942 219 T HA -0.019 4.331 4.350 -0.000 0.000 0.265 219 T C 0.686 175.311 174.700 -0.125 0.000 1.062 219 T CA 1.182 63.208 62.100 -0.123 0.000 1.139 219 T CB -0.696 68.125 68.868 -0.079 0.000 0.883 219 T HN 0.308 nan 8.240 nan 0.000 0.468 220 T N 3.404 117.884 114.554 -0.124 0.000 2.853 220 T HA 0.442 4.792 4.350 -0.000 0.000 0.317 220 T C -0.338 174.270 174.700 -0.154 0.000 1.059 220 T CA -0.786 61.230 62.100 -0.140 0.000 0.954 220 T CB 0.712 69.504 68.868 -0.127 0.000 0.994 220 T HN 0.557 nan 8.240 nan 0.000 0.479 221 Q N 2.780 122.472 119.800 -0.179 0.000 2.683 221 Q HA 0.583 4.923 4.340 -0.000 0.000 0.302 221 Q C -1.031 174.849 176.000 -0.200 0.000 1.042 221 Q CA -1.172 54.511 55.803 -0.199 0.000 0.773 221 Q CB 1.400 29.987 28.738 -0.253 0.000 1.508 221 Q HN 0.427 nan 8.270 nan 0.000 0.459 222 I N 2.758 123.185 120.570 -0.239 0.000 2.421 222 I HA -0.021 4.149 4.170 -0.000 0.000 0.291 222 I C 0.985 176.902 176.117 -0.332 0.000 1.089 222 I CA 0.110 61.277 61.300 -0.221 0.000 1.354 222 I CB 1.027 38.861 38.000 -0.277 0.000 1.413 222 I HN 0.832 nan 8.210 nan 0.000 0.513 223 S N 3.128 118.748 115.700 -0.134 0.000 2.503 223 S HA 0.128 4.598 4.470 -0.000 0.000 0.217 223 S C 0.266 174.999 174.600 0.223 0.000 0.999 223 S CA -0.103 58.062 58.200 -0.058 0.000 0.914 223 S CB 0.238 63.425 63.200 -0.023 0.000 0.782 223 S HN 0.735 nan 8.310 nan 0.000 0.520 224 D N -0.611 119.964 120.400 0.292 0.000 2.766 224 D HA 0.440 5.080 4.640 -0.000 0.000 0.244 224 D C -1.768 174.756 176.300 0.372 0.000 1.198 224 D CA -0.699 53.557 54.000 0.427 0.000 0.739 224 D CB 1.127 42.059 40.800 0.221 0.000 1.379 224 D HN 0.248 nan 8.370 nan 0.000 0.437 225 F N -0.433 119.561 119.950 0.074 0.000 2.678 225 F HA 0.705 5.232 4.527 -0.000 0.000 0.308 225 F C -1.538 174.288 175.800 0.044 0.000 1.118 225 F CA -0.785 57.163 58.000 -0.086 0.000 0.959 225 F CB 1.409 40.419 39.000 0.015 0.000 1.305 225 F HN 0.298 nan 8.300 nan 0.000 0.443 226 H N 1.003 120.075 119.070 0.004 0.000 2.768 226 H HA 0.788 5.344 4.556 -0.000 0.000 0.371 226 H C -1.366 173.950 175.328 -0.020 0.000 1.151 226 H CA -1.520 54.457 56.048 -0.119 0.000 1.165 226 H CB 2.686 32.399 29.762 -0.082 0.000 1.722 226 H HN 0.616 nan 8.280 nan 0.000 0.543 227 V N 1.169 121.129 119.914 0.078 0.000 2.815 227 V HA 0.827 4.947 4.120 -0.000 0.000 0.314 227 V C -0.493 175.580 176.094 -0.035 0.000 1.064 227 V CA -0.584 61.728 62.300 0.021 0.000 0.952 227 V CB 1.679 33.493 31.823 -0.015 0.000 1.020 227 V HN 0.973 nan 8.190 nan 0.000 0.439 228 A N 1.973 124.752 122.820 -0.069 0.000 2.547 228 A HA 0.831 5.151 4.320 -0.000 0.000 0.297 228 A C -0.481 177.012 177.584 -0.151 0.000 1.056 228 A CA -0.392 51.592 52.037 -0.089 0.000 0.688 228 A CB 2.035 21.007 19.000 -0.046 0.000 1.282 228 A HN 0.934 nan 8.150 nan 0.000 0.400 229 T N 0.037 114.493 114.554 -0.163 0.000 2.807 229 T HA 0.794 5.144 4.350 -0.000 0.000 0.279 229 T C -0.378 174.155 174.700 -0.279 0.000 0.993 229 T CA -0.694 61.241 62.100 -0.275 0.000 0.970 229 T CB 1.262 69.926 68.868 -0.340 0.000 0.950 229 T HN 0.703 nan 8.240 nan 0.000 0.441 230 R N 1.649 121.882 120.500 -0.444 0.000 2.740 230 R HA 0.768 5.108 4.340 -0.000 0.000 0.282 230 R C -1.247 174.678 176.300 -0.625 0.000 0.969 230 R CA -0.747 55.163 56.100 -0.317 0.000 0.918 230 R CB 1.604 31.823 30.300 -0.134 0.000 1.175 230 R HN 0.554 nan 8.270 nan 0.000 0.464 231 F N 0.063 120.005 119.950 -0.014 0.000 2.640 231 F HA 0.361 4.888 4.527 -0.000 0.000 0.324 231 F C 0.363 176.043 175.800 -0.200 0.000 1.077 231 F CA -1.271 56.668 58.000 -0.101 0.000 0.965 231 F CB 0.849 39.709 39.000 -0.233 0.000 1.351 231 F HN 0.505 nan 8.300 nan 0.000 0.487 232 N N -0.210 118.488 118.700 -0.004 0.000 2.327 232 N HA 0.085 4.825 4.740 -0.000 0.000 0.257 232 N C 0.488 175.850 175.510 -0.246 0.000 1.281 232 N CA -0.216 52.783 53.050 -0.086 0.000 0.942 232 N CB 0.079 38.536 38.487 -0.048 0.000 1.199 232 N HN 0.647 nan 8.380 nan 0.000 0.532 233 D N -1.553 118.745 120.400 -0.170 0.000 2.265 233 D HA -0.226 4.414 4.640 -0.000 0.000 0.208 233 D C 0.112 176.280 176.300 -0.221 0.000 0.977 233 D CA 1.350 55.240 54.000 -0.183 0.000 0.871 233 D CB -0.421 40.340 40.800 -0.066 0.000 0.925 233 D HN 0.752 nan 8.370 nan 0.000 0.485 234 D N -1.493 118.811 120.400 -0.161 0.000 2.513 234 D HA -0.002 4.638 4.640 -0.000 0.000 0.222 234 D C 0.244 176.664 176.300 0.200 0.000 1.210 234 D CA -0.857 53.172 54.000 0.049 0.000 0.825 234 D CB -1.070 39.782 40.800 0.088 0.000 1.037 234 D HN 0.162 nan 8.370 nan 0.000 0.506 235 F N 0.716 120.724 119.950 0.097 0.000 3.006 235 F HA -0.301 4.226 4.527 -0.000 0.000 0.289 235 F C 1.786 177.668 175.800 0.136 0.000 0.772 235 F CA 0.801 58.880 58.000 0.133 0.000 1.162 235 F CB -2.478 36.503 39.000 -0.033 0.000 1.382 235 F HN 0.210 nan 8.300 nan 0.000 0.406 236 S N -0.415 115.395 115.700 0.183 0.000 2.522 236 S HA 0.121 4.591 4.470 -0.000 0.000 0.227 236 S C 0.701 175.356 174.600 0.092 0.000 0.986 236 S CA 0.753 59.027 58.200 0.124 0.000 0.929 236 S CB 0.358 63.604 63.200 0.077 0.000 0.769 236 S HN 0.587 nan 8.310 nan 0.000 0.529 237 R N -0.401 120.165 120.500 0.110 0.000 2.594 237 R HA 0.645 4.985 4.340 -0.000 0.000 0.265 237 R C -1.708 174.615 176.300 0.039 0.000 1.070 237 R CA -0.042 56.085 56.100 0.046 0.000 0.909 237 R CB 1.371 31.675 30.300 0.007 0.000 1.243 237 R HN 0.232 nan 8.270 nan 0.000 0.455 238 A N 2.488 125.269 122.820 -0.065 0.000 2.479 238 A HA 0.786 5.106 4.320 -0.000 0.000 0.296 238 A C -1.451 176.039 177.584 -0.157 0.000 1.121 238 A CA -0.677 51.236 52.037 -0.207 0.000 0.743 238 A CB 2.227 21.074 19.000 -0.255 0.000 1.323 238 A HN 0.362 nan 8.150 nan 0.000 0.415 239 V N 1.388 121.182 119.914 -0.200 0.000 2.483 239 V HA 0.426 4.546 4.120 -0.000 0.000 0.297 239 V C -1.032 175.004 176.094 -0.096 0.000 1.027 239 V CA -0.468 61.761 62.300 -0.117 0.000 0.855 239 V CB 1.356 33.112 31.823 -0.111 0.000 0.995 239 V HN 0.807 nan 8.190 nan 0.000 0.424 240 L N 5.228 126.430 121.223 -0.034 0.000 2.275 240 L HA 0.629 4.969 4.340 -0.000 0.000 0.288 240 L C -0.121 176.711 176.870 -0.063 0.000 1.046 240 L CA 0.180 54.984 54.840 -0.060 0.000 0.805 240 L CB 1.197 43.243 42.059 -0.022 0.000 1.193 240 L HN 0.857 nan 8.230 nan 0.000 0.426 241 E N 4.825 124.983 120.200 -0.071 0.000 2.218 241 E HA 0.752 5.102 4.350 -0.000 0.000 0.263 241 E C -1.792 174.795 176.600 -0.021 0.000 0.879 241 E CA -0.832 55.540 56.400 -0.046 0.000 0.762 241 E CB 1.567 31.239 29.700 -0.047 0.000 1.166 241 E HN 0.844 nan 8.360 nan 0.000 0.415 242 A N 4.384 127.198 122.820 -0.010 0.000 2.331 242 A HA 0.444 4.764 4.320 -0.000 0.000 0.320 242 A C -0.848 176.735 177.584 -0.003 0.000 1.138 242 A CA -0.708 51.344 52.037 0.026 0.000 0.790 242 A CB 1.459 20.485 19.000 0.044 0.000 1.206 242 A HN 0.735 nan 8.150 nan 0.000 0.470 243 E N 2.329 122.529 120.200 0.000 0.000 2.176 243 E HA 0.575 4.925 4.350 -0.000 0.000 0.267 243 E C -1.650 174.889 176.600 -0.102 0.000 0.893 243 E CA -0.409 55.944 56.400 -0.078 0.000 0.761 243 E CB 1.600 31.235 29.700 -0.108 0.000 1.133 243 E HN 0.410 nan 8.360 nan 0.000 0.409 244 V N 4.268 124.133 119.914 -0.082 0.000 2.604 244 V HA 0.362 4.482 4.120 -0.000 0.000 0.305 244 V C -0.499 175.622 176.094 0.046 0.000 1.043 244 V CA -0.809 61.480 62.300 -0.019 0.000 0.888 244 V CB 1.772 33.557 31.823 -0.063 0.000 0.995 244 V HN 0.694 nan 8.190 nan 0.000 0.429 245 Q N 4.129 123.983 119.800 0.090 0.000 2.377 245 Q HA 0.824 5.164 4.340 -0.000 0.000 0.271 245 Q C -0.848 175.230 176.000 0.131 0.000 1.077 245 Q CA -0.856 55.028 55.803 0.135 0.000 0.820 245 Q CB 2.846 31.595 28.738 0.018 0.000 1.347 245 Q HN 0.847 nan 8.270 nan 0.000 0.444 246 M N -0.878 118.756 119.600 0.056 0.000 2.664 246 M HA 0.762 5.242 4.480 -0.000 0.000 0.314 246 M C -1.301 174.893 176.300 -0.177 0.000 1.200 246 M CA -0.428 54.790 55.300 -0.136 0.000 0.916 246 M CB 2.039 34.362 32.600 -0.462 0.000 1.717 246 M HN 0.560 nan 8.290 nan 0.000 0.470 247 C N 1.426 120.620 119.300 -0.177 0.000 2.614 247 C HA 1.023 5.483 4.460 -0.000 0.000 0.320 247 C C 0.588 175.474 174.990 -0.174 0.000 1.200 247 C CA 0.893 59.822 59.018 -0.149 0.000 1.700 247 C CB 1.032 28.704 27.740 -0.114 0.000 2.275 247 C HN 1.354 nan 8.230 nan 0.000 0.492 248 G N 3.386 112.099 108.800 -0.145 0.000 2.396 248 G HA2 0.121 4.081 3.960 -0.000 0.000 0.254 248 G HA3 0.121 4.081 3.960 -0.000 0.000 0.254 248 G C -1.505 173.309 174.900 -0.144 0.000 1.248 248 G CA -0.292 44.726 45.100 -0.138 0.000 1.033 248 G HN 0.854 nan 8.290 nan 0.000 0.502 249 E N -0.339 119.783 120.200 -0.130 0.000 2.166 249 E HA 0.712 5.062 4.350 -0.000 0.000 0.275 249 E C 0.021 176.516 176.600 -0.176 0.000 0.941 249 E CA -0.957 55.365 56.400 -0.130 0.000 0.784 249 E CB 2.001 31.653 29.700 -0.079 0.000 1.115 249 E HN 0.631 nan 8.360 nan 0.000 0.399 250 L N 3.491 124.598 121.223 -0.194 0.000 2.455 250 L HA 0.256 4.596 4.340 -0.000 0.000 0.272 250 L C -0.068 176.679 176.870 -0.206 0.000 1.174 250 L CA 0.150 54.846 54.840 -0.241 0.000 0.869 250 L CB 0.227 42.164 42.059 -0.203 0.000 1.130 250 L HN 0.477 nan 8.230 nan 0.000 0.474 251 R N 2.681 122.998 120.500 -0.306 0.000 2.548 251 R HA 0.115 4.455 4.340 -0.000 0.000 0.280 251 R C 0.062 176.136 176.300 -0.376 0.000 1.061 251 R CA -0.617 55.280 56.100 -0.339 0.000 0.915 251 R CB 1.588 31.479 30.300 -0.683 0.000 1.210 251 R HN 0.713 nan 8.270 nan 0.000 0.442 252 D N 1.779 122.102 120.400 -0.129 0.000 2.393 252 D HA -0.205 4.435 4.640 -0.000 0.000 0.220 252 D C 0.884 177.190 176.300 0.010 0.000 0.974 252 D CA 1.460 55.445 54.000 -0.025 0.000 0.931 252 D CB -0.052 40.785 40.800 0.061 0.000 0.889 252 D HN 0.714 nan 8.370 nan 0.000 0.512 253 Y N -0.695 119.609 120.300 0.007 0.000 2.457 253 Y HA 0.393 4.943 4.550 -0.000 0.000 0.263 253 Y C 0.958 176.858 175.900 -0.001 0.000 1.164 253 Y CA -0.938 57.167 58.100 0.008 0.000 1.274 253 Y CB -0.320 38.146 38.460 0.010 0.000 1.097 253 Y HN -0.222 nan 8.280 nan 0.000 0.523 254 L N 2.944 123.982 121.223 -0.308 0.000 2.397 254 L HA 0.363 4.703 4.340 -0.000 0.000 0.271 254 L C 0.204 177.017 176.870 -0.095 0.000 1.148 254 L CA -0.099 54.624 54.840 -0.195 0.000 0.825 254 L CB 0.609 42.561 42.059 -0.178 0.000 1.117 254 L HN 0.252 nan 8.230 nan 0.000 0.456 255 R N 2.073 122.424 120.500 -0.248 0.000 2.799 255 R HA 0.749 5.089 4.340 -0.000 0.000 0.270 255 R C -1.544 174.433 176.300 -0.539 0.000 1.010 255 R CA -0.832 55.026 56.100 -0.403 0.000 0.916 255 R CB 2.389 32.416 30.300 -0.454 0.000 1.228 255 R HN 0.283 nan 8.270 nan 0.000 0.469 256 V N 0.791 120.483 119.914 -0.371 0.000 2.686 256 V HA 0.490 4.610 4.120 -0.000 0.000 0.306 256 V C -0.616 175.456 176.094 -0.037 0.000 1.065 256 V CA -0.609 61.551 62.300 -0.234 0.000 0.894 256 V CB 2.420 34.031 31.823 -0.353 0.000 1.004 256 V HN 0.788 nan 8.190 nan 0.000 0.424 257 T N 3.581 118.190 114.554 0.092 0.000 2.861 257 T HA 0.721 5.071 4.350 -0.000 0.000 0.287 257 T C -0.854 173.853 174.700 0.011 0.000 1.003 257 T CA -0.535 61.615 62.100 0.084 0.000 0.977 257 T CB 1.922 70.876 68.868 0.142 0.000 0.996 257 T HN 0.374 nan 8.240 nan 0.000 0.448 258 V N 3.064 122.968 119.914 -0.015 0.000 2.525 258 V HA 0.694 4.814 4.120 -0.000 0.000 0.299 258 V C -0.439 175.639 176.094 -0.027 0.000 1.034 258 V CA -0.870 61.416 62.300 -0.023 0.000 0.863 258 V CB 1.869 33.668 31.823 -0.040 0.000 0.999 258 V HN 1.077 nan 8.190 nan 0.000 0.423 259 S N 5.037 120.737 115.700 0.001 0.000 2.526 259 S HA 0.863 5.333 4.470 -0.000 0.000 0.293 259 S C -1.139 173.435 174.600 -0.044 0.000 1.092 259 S CA -0.771 57.387 58.200 -0.071 0.000 0.980 259 S CB 2.386 65.579 63.200 -0.011 0.000 1.048 259 S HN 0.474 nan 8.310 nan 0.000 0.483 260 L N 2.102 123.190 121.223 -0.225 0.000 2.322 260 L HA 0.731 5.071 4.340 -0.000 0.000 0.281 260 L C -1.840 174.863 176.870 -0.278 0.000 1.014 260 L CA -0.459 54.328 54.840 -0.089 0.000 0.815 260 L CB 0.797 42.829 42.059 -0.045 0.000 1.247 260 L HN 0.891 nan 8.230 nan 0.000 0.421 261 W N 3.272 124.667 121.300 0.158 0.000 2.736 261 W HA 0.574 5.234 4.660 -0.000 0.000 0.335 261 W C -0.489 176.159 176.519 0.214 0.000 1.059 261 W CA -0.580 56.853 57.345 0.147 0.000 1.226 261 W CB 1.620 31.122 29.460 0.070 0.000 1.416 261 W HN 0.434 nan 8.180 nan 0.000 0.505 262 Q N 2.666 122.716 119.800 0.416 0.000 2.644 262 Q HA 0.494 4.834 4.340 -0.000 0.000 0.245 262 Q C 0.682 176.773 176.000 0.151 0.000 1.064 262 Q CA 0.597 56.498 55.803 0.164 0.000 0.860 262 Q CB 0.344 29.133 28.738 0.084 0.000 1.145 262 Q HN 0.733 nan 8.270 nan 0.000 0.515 263 G N 2.324 111.205 108.800 0.135 0.000 2.595 263 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.297 263 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.297 263 G C 0.667 175.638 174.900 0.119 0.000 1.181 263 G CA 0.323 45.469 45.100 0.077 0.000 0.963 263 G HN 0.516 nan 8.290 nan 0.000 0.541 264 E N 1.559 121.832 120.200 0.122 0.000 2.385 264 E HA 0.195 4.545 4.350 -0.000 0.000 0.194 264 E C 1.261 178.082 176.600 0.367 0.000 1.013 264 E CA 0.924 57.408 56.400 0.140 0.000 0.866 264 E CB -0.124 29.624 29.700 0.080 0.000 0.832 264 E HN 0.473 nan 8.360 nan 0.000 0.500 265 T N 1.362 116.130 114.554 0.357 0.000 2.806 265 T HA 0.177 4.527 4.350 -0.000 0.000 0.290 265 T C 0.089 174.926 174.700 0.228 0.000 0.966 265 T CA -0.348 61.933 62.100 0.300 0.000 1.060 265 T CB 1.586 70.534 68.868 0.132 0.000 0.927 265 T HN -0.069 nan 8.240 nan 0.000 0.485 266 Q N 2.865 122.515 119.800 -0.249 0.000 2.296 266 Q HA 0.287 4.627 4.340 -0.000 0.000 0.257 266 Q C 0.317 176.041 176.000 -0.459 0.000 0.942 266 Q CA -0.396 54.781 55.803 -1.043 0.000 0.939 266 Q CB 0.927 28.754 28.738 -1.519 0.000 1.198 266 Q HN 0.583 nan 8.270 nan 0.000 0.429 267 V N 2.306 121.993 119.914 -0.379 0.000 2.685 267 V HA 0.334 4.454 4.120 -0.000 0.000 0.244 267 V C 0.418 176.401 176.094 -0.184 0.000 1.054 267 V CA 0.961 63.163 62.300 -0.164 0.000 1.076 267 V CB 0.099 31.917 31.823 -0.008 0.000 0.725 267 V HN 0.761 nan 8.190 nan 0.000 0.467 268 A N -1.202 121.465 122.820 -0.256 0.000 2.599 268 A HA 0.750 5.070 4.320 -0.000 0.000 0.294 268 A C -0.820 176.635 177.584 -0.216 0.000 1.055 268 A CA -0.048 51.873 52.037 -0.194 0.000 0.683 268 A CB 1.736 20.659 19.000 -0.129 0.000 1.278 268 A HN 0.029 nan 8.150 nan 0.000 0.412 269 S N -1.075 114.531 115.700 -0.157 0.000 2.579 269 S HA 0.895 5.365 4.470 -0.000 0.000 0.272 269 S C -0.491 174.059 174.600 -0.082 0.000 1.141 269 S CA 0.146 58.271 58.200 -0.125 0.000 0.843 269 S CB 1.964 65.085 63.200 -0.130 0.000 1.122 269 S HN 2.313 nan 8.310 nan 0.000 0.468 270 G N 1.216 109.979 108.800 -0.061 0.000 2.759 270 G HA2 0.596 4.556 3.960 -0.000 0.000 0.297 270 G HA3 0.596 4.556 3.960 -0.000 0.000 0.297 270 G C -1.518 173.363 174.900 -0.033 0.000 1.434 270 G CA -0.381 44.690 45.100 -0.049 0.000 0.980 270 G HN 0.685 nan 8.290 nan 0.000 0.531 271 T N -0.203 114.336 114.554 -0.025 0.000 2.900 271 T HA 0.910 5.260 4.350 -0.000 0.000 0.295 271 T C -0.170 174.505 174.700 -0.041 0.000 1.044 271 T CA 0.090 62.186 62.100 -0.007 0.000 0.995 271 T CB 1.870 70.768 68.868 0.050 0.000 1.072 271 T HN 1.780 nan 8.240 nan 0.000 0.473 272 A N 2.914 125.684 122.820 -0.083 0.000 2.566 272 A HA 0.914 5.234 4.320 -0.000 0.000 0.290 272 A C -3.246 174.228 177.584 -0.184 0.000 1.071 272 A CA -1.416 50.551 52.037 -0.116 0.000 0.658 272 A CB 1.149 20.070 19.000 -0.132 0.000 1.285 272 A HN 0.537 nan 8.150 nan 0.000 0.427 273 P HA 0.655 nan 4.420 nan 0.000 0.292 273 P C -0.772 176.441 177.300 -0.145 0.000 1.300 273 P CA -0.482 62.552 63.100 -0.110 0.000 0.900 273 P CB 0.590 32.275 31.700 -0.024 0.000 1.139 274 F N 0.830 120.730 119.950 -0.083 0.000 2.535 274 F HA 0.413 4.940 4.527 -0.000 0.000 0.332 274 F C 1.622 177.400 175.800 -0.036 0.000 1.208 274 F CA 1.925 59.887 58.000 -0.062 0.000 1.330 274 F CB -0.188 38.767 39.000 -0.074 0.000 1.167 274 F HN 0.629 nan 8.300 nan 0.000 0.597 275 G N 0.955 109.880 108.800 0.209 0.000 3.438 275 G HA2 0.374 4.334 3.960 -0.000 0.000 0.684 275 G HA3 0.374 4.334 3.960 -0.000 0.000 0.684 275 G C -0.483 174.461 174.900 0.073 0.000 1.192 275 G CA -0.792 44.384 45.100 0.126 0.000 1.013 275 G HN 1.060 nan 8.290 nan 0.000 0.530 276 G N 0.632 109.492 108.800 0.100 0.000 2.537 276 G HA2 0.754 4.714 3.960 -0.000 0.000 0.297 276 G HA3 0.754 4.714 3.960 -0.000 0.000 0.297 276 G C 0.061 174.994 174.900 0.055 0.000 1.310 276 G CA -0.323 44.827 45.100 0.084 0.000 1.027 276 G HN 0.895 nan 8.290 nan 0.000 0.505 277 E N -0.817 119.412 120.200 0.049 0.000 2.349 277 E HA 0.390 4.740 4.350 -0.000 0.000 0.262 277 E C -0.319 176.298 176.600 0.029 0.000 1.088 277 E CA -0.660 55.758 56.400 0.029 0.000 0.899 277 E CB 0.797 30.510 29.700 0.022 0.000 1.044 277 E HN 0.232 nan 8.360 nan 0.000 0.420 278 I N 1.694 122.270 120.570 0.011 0.000 2.710 278 I HA -0.058 4.112 4.170 -0.000 0.000 0.286 278 I C 1.003 177.124 176.117 0.007 0.000 1.181 278 I CA 0.579 61.879 61.300 -0.001 0.000 1.430 278 I CB 0.147 38.142 38.000 -0.007 0.000 1.367 278 I HN 0.651 nan 8.210 nan 0.000 0.577 279 I N 1.176 121.743 120.570 -0.005 0.000 4.124 279 I HA 0.416 4.586 4.170 -0.000 0.000 0.311 279 I C 0.005 176.119 176.117 -0.005 0.000 1.259 279 I CA 0.470 61.777 61.300 0.011 0.000 1.315 279 I CB 0.133 38.164 38.000 0.051 0.000 1.223 279 I HN 0.618 nan 8.210 nan 0.000 0.441 280 D N -0.545 119.839 120.400 -0.027 0.000 2.946 280 D HA 0.208 4.848 4.640 -0.000 0.000 0.337 280 D C 0.485 176.767 176.300 -0.029 0.000 1.332 280 D CA -0.431 53.555 54.000 -0.024 0.000 0.935 280 D CB 0.249 41.035 40.800 -0.023 0.000 1.440 280 D HN -0.086 nan 8.370 nan 0.000 0.540 281 E N -0.825 119.360 120.200 -0.025 0.000 2.209 281 E HA -0.076 4.274 4.350 -0.000 0.000 0.196 281 E C 1.591 178.172 176.600 -0.032 0.000 0.993 281 E CA 1.173 57.559 56.400 -0.024 0.000 0.819 281 E CB -0.033 29.657 29.700 -0.018 0.000 0.745 281 E HN 0.250 nan 8.360 nan 0.000 0.477 282 R N -0.467 120.005 120.500 -0.046 0.000 2.276 282 R HA 0.224 4.564 4.340 -0.000 0.000 0.196 282 R C 0.881 177.138 176.300 -0.071 0.000 0.961 282 R CA 0.699 56.764 56.100 -0.057 0.000 1.024 282 R CB 0.727 30.986 30.300 -0.067 0.000 0.940 282 R HN 0.213 nan 8.270 nan 0.000 0.480 283 G N -0.500 108.257 108.800 -0.073 0.000 2.295 283 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.195 283 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.195 283 G C -0.346 174.492 174.900 -0.104 0.000 1.269 283 G CA -0.639 44.417 45.100 -0.073 0.000 1.170 283 G HN 0.401 nan 8.290 nan 0.000 0.511 284 G N -1.812 106.921 108.800 -0.110 0.000 3.209 284 G HA2 0.635 4.595 3.960 -0.000 0.000 0.236 284 G HA3 0.635 4.595 3.960 -0.000 0.000 0.236 284 G C -1.523 173.229 174.900 -0.247 0.000 1.329 284 G CA -0.766 44.259 45.100 -0.124 0.000 1.015 284 G HN 0.721 nan 8.290 nan 0.000 0.571 285 Y N 0.768 121.081 120.300 0.022 0.000 2.404 285 Y HA 0.449 4.999 4.550 -0.000 0.000 0.344 285 Y C 1.373 177.300 175.900 0.046 0.000 0.970 285 Y CA 0.018 58.137 58.100 0.031 0.000 1.180 285 Y CB 1.875 40.360 38.460 0.041 0.000 1.138 285 Y HN 0.525 nan 8.280 nan 0.000 0.510 286 A N 1.850 124.750 122.820 0.134 0.000 1.968 286 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 286 A C 1.279 178.951 177.584 0.147 0.000 1.169 286 A CA 1.494 53.592 52.037 0.102 0.000 0.638 286 A CB -0.237 18.781 19.000 0.029 0.000 0.812 286 A HN 0.788 nan 8.150 nan 0.000 0.446 287 D N -0.523 119.964 120.400 0.144 0.000 2.491 287 D HA 0.166 4.806 4.640 -0.000 0.000 0.228 287 D C 0.332 176.809 176.300 0.296 0.000 1.183 287 D CA -0.130 53.895 54.000 0.042 0.000 0.827 287 D CB -0.111 40.658 40.800 -0.051 0.000 0.989 287 D HN 0.424 nan 8.370 nan 0.000 0.494 288 R N -0.953 119.819 120.500 0.452 0.000 2.799 288 R HA 0.766 5.106 4.340 -0.000 0.000 0.270 288 R C -1.557 174.847 176.300 0.174 0.000 1.010 288 R CA -1.228 55.069 56.100 0.328 0.000 0.916 288 R CB 2.817 33.167 30.300 0.084 0.000 1.228 288 R HN -0.014 nan 8.270 nan 0.000 0.469 289 V N 0.158 120.031 119.914 -0.068 0.000 3.000 289 V HA 0.500 4.620 4.120 -0.000 0.000 0.300 289 V C -1.611 174.392 176.094 -0.152 0.000 1.251 289 V CA -0.249 61.937 62.300 -0.189 0.000 0.972 289 V CB 2.715 34.258 31.823 -0.466 0.000 1.065 289 V HN 0.833 nan 8.190 nan 0.000 0.431 290 T N 7.313 121.804 114.554 -0.105 0.000 2.812 290 T HA 0.749 5.099 4.350 -0.000 0.000 0.282 290 T C -0.970 173.683 174.700 -0.078 0.000 0.990 290 T CA -0.268 61.785 62.100 -0.079 0.000 0.960 290 T CB 1.184 70.027 68.868 -0.043 0.000 0.948 290 T HN 0.492 nan 8.240 nan 0.000 0.438 291 L N 2.927 124.106 121.223 -0.074 0.000 2.330 291 L HA 0.647 4.987 4.340 -0.000 0.000 0.271 291 L C 0.405 177.245 176.870 -0.051 0.000 1.013 291 L CA -0.683 54.117 54.840 -0.067 0.000 0.816 291 L CB 1.231 43.245 42.059 -0.074 0.000 1.287 291 L HN 0.415 nan 8.230 nan 0.000 0.435 292 R N 2.839 123.309 120.500 -0.050 0.000 2.451 292 R HA 0.660 5.000 4.340 -0.000 0.000 0.307 292 R C -1.498 174.772 176.300 -0.050 0.000 0.965 292 R CA -0.617 55.454 56.100 -0.048 0.000 0.865 292 R CB 1.460 31.733 30.300 -0.046 0.000 1.174 292 R HN 0.477 nan 8.270 nan 0.000 0.455 293 L N 2.617 123.810 121.223 -0.049 0.000 2.307 293 L HA 0.460 4.800 4.340 -0.000 0.000 0.284 293 L C 0.055 176.893 176.870 -0.053 0.000 1.023 293 L CA -0.944 53.865 54.840 -0.051 0.000 0.810 293 L CB 1.493 43.521 42.059 -0.051 0.000 1.231 293 L HN 0.466 nan 8.230 nan 0.000 0.423 294 N N 1.925 120.588 118.700 -0.061 0.000 2.498 294 N HA 0.471 5.211 4.740 -0.000 0.000 0.287 294 N C -1.004 174.454 175.510 -0.087 0.000 1.097 294 N CA -0.313 52.695 53.050 -0.068 0.000 0.973 294 N CB 2.849 41.300 38.487 -0.061 0.000 1.153 294 N HN 0.219 nan 8.380 nan 0.000 0.472 295 V N 2.021 121.868 119.914 -0.112 0.000 2.569 295 V HA 0.193 4.312 4.120 -0.000 0.000 0.301 295 V C -0.134 175.875 176.094 -0.142 0.000 1.044 295 V CA -0.843 61.357 62.300 -0.167 0.000 0.874 295 V CB 2.062 33.691 31.823 -0.323 0.000 1.002 295 V HN 0.535 nan 8.190 nan 0.000 0.424 296 E N 3.703 123.844 120.200 -0.099 0.000 2.301 296 E HA 0.281 4.631 4.350 -0.000 0.000 0.275 296 E C -0.090 176.480 176.600 -0.050 0.000 1.030 296 E CA -0.392 55.973 56.400 -0.057 0.000 0.852 296 E CB 0.662 30.341 29.700 -0.035 0.000 1.060 296 E HN 0.711 nan 8.360 nan 0.000 0.401 297 N N 1.341 120.034 118.700 -0.012 0.000 2.689 297 N HA -0.131 4.609 4.740 -0.000 0.000 0.263 297 N C -2.385 173.120 175.510 -0.008 0.000 0.987 297 N CA 0.359 53.418 53.050 0.015 0.000 0.782 297 N CB -1.364 37.135 38.487 0.022 0.000 0.903 297 N HN 0.318 nan 8.380 nan 0.000 0.547 298 P HA 0.129 nan 4.420 nan 0.000 0.272 298 P C 0.100 177.416 177.300 0.026 0.000 1.230 298 P CA 0.165 63.154 63.100 -0.185 0.000 0.788 298 P CB 0.853 32.191 31.700 -0.604 0.000 0.949 299 K N 1.342 121.839 120.400 0.162 0.000 2.234 299 K HA 0.393 4.713 4.320 -0.000 0.000 0.277 299 K C -0.155 176.612 176.600 0.278 0.000 1.038 299 K CA -0.540 55.854 56.287 0.178 0.000 0.888 299 K CB 0.492 33.064 32.500 0.120 0.000 1.091 299 K HN 0.382 nan 8.250 nan 0.000 0.467 300 L N 2.376 123.687 121.223 0.146 0.000 2.395 300 L HA 0.338 4.678 4.340 -0.000 0.000 0.269 300 L C -0.113 176.843 176.870 0.142 0.000 1.133 300 L CA -0.794 54.141 54.840 0.158 0.000 0.812 300 L CB 0.416 42.425 42.059 -0.082 0.000 1.125 300 L HN 0.599 nan 8.230 nan 0.000 0.452 301 W N 2.885 124.222 121.300 0.062 0.000 2.376 301 W HA 0.498 5.158 4.660 -0.000 0.000 0.322 301 W C -0.300 176.172 176.519 -0.079 0.000 1.160 301 W CA 0.127 57.487 57.345 0.024 0.000 1.218 301 W CB 1.269 30.791 29.460 0.102 0.000 1.205 301 W HN 0.609 nan 8.180 nan 0.000 0.559 302 S N 2.789 117.847 115.700 -1.071 0.000 2.588 302 S HA 0.611 5.081 4.470 -0.000 0.000 0.269 302 S C 0.028 173.813 174.600 -1.358 0.000 1.157 302 S CA -0.439 57.240 58.200 -0.869 0.000 0.824 302 S CB 1.260 64.201 63.200 -0.432 0.000 1.126 302 S HN 0.814 nan 8.310 nan 0.000 0.464 303 A N 0.343 122.572 122.820 -0.985 0.000 2.066 303 A HA 0.043 4.363 4.320 -0.000 0.000 0.218 303 A C 1.686 178.926 177.584 -0.574 0.000 1.157 303 A CA 1.269 52.693 52.037 -1.021 0.000 0.670 303 A CB -0.778 17.383 19.000 -1.397 0.000 0.804 303 A HN 0.863 nan 8.150 nan 0.000 0.453 304 E N -0.808 119.198 120.200 -0.324 0.000 2.106 304 E HA 0.030 4.380 4.350 -0.000 0.000 0.192 304 E C -0.280 176.168 176.600 -0.254 0.000 0.984 304 E CA 0.777 57.060 56.400 -0.195 0.000 0.806 304 E CB 0.020 29.745 29.700 0.042 0.000 0.750 304 E HN 0.605 nan 8.360 nan 0.000 0.458 305 I N 0.946 121.309 120.570 -0.346 0.000 2.588 305 I HA 0.140 4.310 4.170 -0.000 0.000 0.278 305 I C -2.623 173.223 176.117 -0.451 0.000 1.144 305 I CA -1.852 59.269 61.300 -0.299 0.000 1.074 305 I CB 2.153 40.037 38.000 -0.192 0.000 1.235 305 I HN -0.234 nan 8.210 nan 0.000 0.472 306 P HA 0.064 nan 4.420 nan 0.000 0.231 306 P C -0.497 176.794 177.300 -0.015 0.000 1.756 306 P CA -0.097 62.680 63.100 -0.538 0.000 0.990 306 P CB -0.371 31.232 31.700 -0.161 0.000 1.973 307 N N 1.781 120.492 118.700 0.018 0.000 2.468 307 N HA 0.128 4.868 4.740 -0.000 0.000 0.265 307 N C 0.077 175.805 175.510 0.363 0.000 1.199 307 N CA 0.372 53.507 53.050 0.141 0.000 0.928 307 N CB 0.619 39.172 38.487 0.109 0.000 1.059 307 N HN 0.266 nan 8.380 nan 0.000 0.467 308 L N 2.369 123.715 121.223 0.205 0.000 2.319 308 L HA 0.525 4.865 4.340 -0.000 0.000 0.267 308 L C -0.804 176.143 176.870 0.127 0.000 1.011 308 L CA -0.880 54.111 54.840 0.252 0.000 0.818 308 L CB 1.164 43.345 42.059 0.204 0.000 1.316 308 L HN 0.400 nan 8.230 nan 0.000 0.432 309 Y N -0.026 120.403 120.300 0.215 0.000 2.576 309 Y HA 0.566 5.116 4.550 -0.000 0.000 0.346 309 Y C -0.337 175.671 175.900 0.180 0.000 1.018 309 Y CA -0.809 57.425 58.100 0.224 0.000 1.050 309 Y CB 2.095 40.742 38.460 0.310 0.000 1.280 309 Y HN 0.385 nan 8.280 nan 0.000 0.474 310 R N 1.244 121.981 120.500 0.394 0.000 2.445 310 R HA 0.869 5.209 4.340 -0.000 0.000 0.308 310 R C -1.498 174.994 176.300 0.321 0.000 0.961 310 R CA -0.666 55.600 56.100 0.278 0.000 0.862 310 R CB 1.110 31.500 30.300 0.149 0.000 1.144 310 R HN 0.804 nan 8.270 nan 0.000 0.447 311 A N 3.802 126.753 122.820 0.218 0.000 2.331 311 A HA 0.588 4.908 4.320 -0.000 0.000 0.320 311 A C -1.112 176.546 177.584 0.124 0.000 1.138 311 A CA -0.657 51.495 52.037 0.192 0.000 0.790 311 A CB 1.508 20.599 19.000 0.151 0.000 1.206 311 A HN 0.456 nan 8.150 nan 0.000 0.470 312 V N 2.170 122.162 119.914 0.129 0.000 2.448 312 V HA 0.526 4.646 4.120 -0.000 0.000 0.295 312 V C -0.375 175.705 176.094 -0.024 0.000 1.025 312 V CA -0.692 61.628 62.300 0.034 0.000 0.859 312 V CB 1.398 33.247 31.823 0.044 0.000 0.988 312 V HN 0.582 nan 8.190 nan 0.000 0.431 313 V N 5.006 124.848 119.914 -0.121 0.000 2.334 313 V HA 0.439 4.559 4.120 -0.000 0.000 0.281 313 V C -0.036 176.001 176.094 -0.096 0.000 1.016 313 V CA -0.480 61.719 62.300 -0.169 0.000 0.832 313 V CB 1.148 32.723 31.823 -0.414 0.000 0.999 313 V HN 1.046 nan 8.190 nan 0.000 0.439 314 E N 5.058 125.250 120.200 -0.013 0.000 2.176 314 E HA 0.576 4.926 4.350 -0.000 0.000 0.267 314 E C -1.111 175.577 176.600 0.147 0.000 0.893 314 E CA -1.069 55.372 56.400 0.069 0.000 0.761 314 E CB 2.790 32.546 29.700 0.093 0.000 1.133 314 E HN 0.411 nan 8.360 nan 0.000 0.409 315 L N 5.315 126.594 121.223 0.093 0.000 2.255 315 L HA 0.285 4.625 4.340 -0.000 0.000 0.289 315 L C -0.686 176.247 176.870 0.106 0.000 1.046 315 L CA 0.069 54.937 54.840 0.047 0.000 0.816 315 L CB -0.097 41.968 42.059 0.009 0.000 1.197 315 L HN 0.699 nan 8.230 nan 0.000 0.427 316 H N 1.205 120.294 119.070 0.032 0.000 2.942 316 H HA 0.617 5.173 4.556 -0.000 0.000 0.316 316 H C -0.966 174.404 175.328 0.071 0.000 1.323 316 H CA -0.342 55.732 56.048 0.044 0.000 1.144 316 H CB 0.987 30.770 29.762 0.035 0.000 1.866 316 H HN 0.474 nan 8.280 nan 0.000 0.545 317 T N -2.822 111.868 114.554 0.227 0.000 2.927 317 T HA 0.526 4.876 4.350 -0.000 0.000 0.281 317 T C 1.439 176.317 174.700 0.295 0.000 0.998 317 T CA -0.195 62.049 62.100 0.240 0.000 1.019 317 T CB 1.389 70.447 68.868 0.317 0.000 1.061 317 T HN 0.776 nan 8.240 nan 0.000 0.518 318 A N 1.006 123.970 122.820 0.240 0.000 2.024 318 A HA -0.085 4.235 4.320 -0.000 0.000 0.220 318 A C 1.816 179.500 177.584 0.165 0.000 1.164 318 A CA 1.976 54.129 52.037 0.194 0.000 0.643 318 A CB -1.282 17.814 19.000 0.160 0.000 0.806 318 A HN 1.035 nan 8.150 nan 0.000 0.451 319 D N -2.970 117.515 120.400 0.142 0.000 2.269 319 D HA 0.268 4.908 4.640 -0.000 0.000 0.208 319 D C 1.254 177.603 176.300 0.081 0.000 0.963 319 D CA 1.358 55.408 54.000 0.084 0.000 0.864 319 D CB -0.145 40.683 40.800 0.047 0.000 0.936 319 D HN 0.668 nan 8.370 nan 0.000 0.505 320 G N -1.267 107.607 108.800 0.125 0.000 2.367 320 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.181 320 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.181 320 G C 0.329 175.261 174.900 0.054 0.000 1.000 320 G CA -0.042 45.089 45.100 0.052 0.000 0.693 320 G HN 0.329 nan 8.290 nan 0.000 0.480 321 T N 2.140 116.754 114.554 0.101 0.000 2.817 321 T HA 0.405 4.755 4.350 -0.000 0.000 0.295 321 T C 0.507 175.289 174.700 0.138 0.000 0.958 321 T CA 0.155 62.311 62.100 0.094 0.000 1.157 321 T CB 1.068 69.989 68.868 0.088 0.000 0.898 321 T HN 0.483 nan 8.240 nan 0.000 0.536 322 L N 4.859 126.140 121.223 0.097 0.000 2.331 322 L HA 0.256 4.596 4.340 -0.000 0.000 0.278 322 L C 0.618 177.547 176.870 0.099 0.000 1.106 322 L CA -0.464 54.447 54.840 0.118 0.000 0.824 322 L CB 0.464 42.563 42.059 0.066 0.000 1.142 322 L HN 0.578 nan 8.230 nan 0.000 0.443 323 I N 3.319 123.948 120.570 0.099 0.000 2.494 323 I HA 0.104 4.274 4.170 -0.000 0.000 0.250 323 I C 0.602 176.734 176.117 0.025 0.000 1.112 323 I CA 0.802 62.131 61.300 0.049 0.000 1.438 323 I CB -0.175 37.838 38.000 0.022 0.000 1.111 323 I HN 0.801 nan 8.210 nan 0.000 0.431 324 E N -0.595 119.624 120.200 0.032 0.000 2.421 324 E HA 0.674 5.024 4.350 -0.000 0.000 0.278 324 E C -1.674 174.950 176.600 0.040 0.000 1.141 324 E CA -1.034 55.382 56.400 0.027 0.000 0.880 324 E CB 0.978 30.659 29.700 -0.031 0.000 1.381 324 E HN -0.073 nan 8.360 nan 0.000 0.436 325 A N 0.925 123.795 122.820 0.084 0.000 2.539 325 A HA 0.738 5.058 4.320 -0.000 0.000 0.296 325 A C -1.256 176.453 177.584 0.208 0.000 1.073 325 A CA -0.686 51.407 52.037 0.094 0.000 0.700 325 A CB 1.911 20.954 19.000 0.072 0.000 1.296 325 A HN 0.514 nan 8.150 nan 0.000 0.405 326 E N -0.451 119.804 120.200 0.090 0.000 2.393 326 E HA 0.766 5.116 4.350 -0.000 0.000 0.273 326 E C -0.631 175.993 176.600 0.039 0.000 0.918 326 E CA -0.620 55.903 56.400 0.205 0.000 0.773 326 E CB 2.510 32.278 29.700 0.113 0.000 1.275 326 E HN 1.163 nan 8.360 nan 0.000 0.451 327 A N 0.180 123.136 122.820 0.227 0.000 2.588 327 A HA 0.859 5.179 4.320 -0.000 0.000 0.290 327 A C -1.116 176.648 177.584 0.300 0.000 1.136 327 A CA -0.393 51.712 52.037 0.112 0.000 0.681 327 A CB 1.194 20.131 19.000 -0.105 0.000 1.282 327 A HN 0.935 nan 8.150 nan 0.000 0.421 328 C N -0.817 118.619 119.300 0.226 0.000 3.292 328 C HA 0.728 5.188 4.460 -0.000 0.000 0.338 328 C C -1.544 173.532 174.990 0.144 0.000 1.323 328 C CA -0.987 58.157 59.018 0.211 0.000 1.232 328 C CB 0.887 28.766 27.740 0.232 0.000 1.517 328 C HN 0.829 nan 8.230 nan 0.000 0.470 329 D N 0.829 121.292 120.400 0.105 0.000 2.264 329 D HA 0.572 5.212 4.640 -0.000 0.000 0.249 329 D C -0.507 175.830 176.300 0.061 0.000 1.070 329 D CA 0.155 54.217 54.000 0.103 0.000 0.912 329 D CB 2.080 42.941 40.800 0.101 0.000 1.193 329 D HN 0.529 nan 8.370 nan 0.000 0.427 330 V N 0.696 120.674 119.914 0.107 0.000 2.656 330 V HA 0.645 4.765 4.120 -0.000 0.000 0.307 330 V C 0.369 176.503 176.094 0.066 0.000 1.051 330 V CA -0.732 61.577 62.300 0.015 0.000 0.893 330 V CB 2.196 34.017 31.823 -0.004 0.000 0.999 330 V HN 0.645 nan 8.190 nan 0.000 0.426 331 G N 2.762 111.487 108.800 -0.124 0.000 2.544 331 G HA2 0.642 4.602 3.960 -0.000 0.000 0.313 331 G HA3 0.642 4.602 3.960 -0.000 0.000 0.313 331 G C -1.240 173.646 174.900 -0.022 0.000 1.316 331 G CA -0.399 44.701 45.100 0.001 0.000 0.944 331 G HN 0.410 nan 8.290 nan 0.000 0.489 332 F N 2.258 122.389 119.950 0.303 0.000 2.404 332 F HA 0.560 5.087 4.527 -0.000 0.000 0.359 332 F C 0.919 176.959 175.800 0.400 0.000 1.134 332 F CA -0.298 57.935 58.000 0.389 0.000 1.160 332 F CB 1.104 40.352 39.000 0.412 0.000 1.186 332 F HN 0.552 nan 8.300 nan 0.000 0.526 333 R N 1.215 122.016 120.500 0.502 0.000 2.634 333 R HA 0.461 4.801 4.340 -0.000 0.000 0.263 333 R C -1.762 174.684 176.300 0.244 0.000 1.060 333 R CA -1.073 55.172 56.100 0.242 0.000 0.898 333 R CB 1.422 31.884 30.300 0.270 0.000 1.253 333 R HN 0.458 nan 8.270 nan 0.000 0.461 334 E N 2.101 122.346 120.200 0.074 0.000 2.199 334 E HA 0.475 4.825 4.350 -0.000 0.000 0.265 334 E C -1.289 175.366 176.600 0.093 0.000 0.882 334 E CA -1.019 55.478 56.400 0.162 0.000 0.759 334 E CB 2.021 31.852 29.700 0.218 0.000 1.148 334 E HN 0.430 nan 8.360 nan 0.000 0.412 335 V N 5.487 125.455 119.914 0.090 0.000 2.417 335 V HA 0.584 4.704 4.120 -0.000 0.000 0.291 335 V C -0.182 175.944 176.094 0.054 0.000 1.024 335 V CA -0.557 61.770 62.300 0.045 0.000 0.861 335 V CB 1.260 33.090 31.823 0.013 0.000 0.985 335 V HN 0.752 nan 8.190 nan 0.000 0.436 336 R N 4.460 124.987 120.500 0.046 0.000 2.692 336 R HA 0.688 5.028 4.340 -0.000 0.000 0.269 336 R C -2.104 174.216 176.300 0.034 0.000 1.030 336 R CA -0.864 55.266 56.100 0.049 0.000 0.882 336 R CB 1.741 32.084 30.300 0.072 0.000 1.250 336 R HN 0.531 nan 8.270 nan 0.000 0.465 337 I N 1.834 122.426 120.570 0.035 0.000 2.330 337 I HA 0.328 4.498 4.170 -0.000 0.000 0.289 337 I C -0.558 175.577 176.117 0.031 0.000 1.001 337 I CA -0.356 60.960 61.300 0.027 0.000 1.193 337 I CB 1.698 39.716 38.000 0.029 0.000 1.345 337 I HN 0.668 nan 8.210 nan 0.000 0.461 338 E N 6.265 126.479 120.200 0.024 0.000 2.263 338 E HA 0.222 4.572 4.350 -0.000 0.000 0.268 338 E C -0.387 176.224 176.600 0.018 0.000 0.884 338 E CA -0.627 55.789 56.400 0.026 0.000 0.766 338 E CB 1.048 30.768 29.700 0.034 0.000 1.196 338 E HN 0.549 nan 8.360 nan 0.000 0.416 339 N N 3.442 122.153 118.700 0.018 0.000 2.725 339 N HA -0.233 4.507 4.740 -0.000 0.000 0.251 339 N C 0.427 175.941 175.510 0.007 0.000 1.031 339 N CA 1.960 55.018 53.050 0.013 0.000 0.720 339 N CB -1.236 37.258 38.487 0.011 0.000 0.930 339 N HN 0.973 nan 8.380 nan 0.000 0.543 340 G N -1.982 106.822 108.800 0.007 0.000 2.179 340 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.260 340 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.260 340 G C -0.029 174.865 174.900 -0.010 0.000 0.977 340 G CA 0.623 45.723 45.100 0.001 0.000 0.641 340 G HN 0.520 nan 8.290 nan 0.000 0.533 341 L N -0.163 121.055 121.223 -0.008 0.000 2.354 341 L HA 0.747 5.087 4.340 -0.000 0.000 0.269 341 L C -0.103 176.756 176.870 -0.018 0.000 1.005 341 L CA -1.360 53.467 54.840 -0.021 0.000 0.819 341 L CB 1.898 43.944 42.059 -0.022 0.000 1.311 341 L HN 0.077 nan 8.230 nan 0.000 0.423 342 L N 3.744 124.945 121.223 -0.038 0.000 2.260 342 L HA 0.515 4.855 4.340 -0.000 0.000 0.289 342 L C -0.862 175.982 176.870 -0.043 0.000 1.057 342 L CA 0.295 55.112 54.840 -0.039 0.000 0.811 342 L CB 0.482 42.505 42.059 -0.061 0.000 1.184 342 L HN 0.378 nan 8.230 nan 0.000 0.429 343 L N 5.674 126.886 121.223 -0.017 0.000 2.333 343 L HA 0.612 4.952 4.340 -0.000 0.000 0.269 343 L C -0.869 176.002 176.870 0.001 0.000 1.010 343 L CA -0.842 53.995 54.840 -0.004 0.000 0.818 343 L CB 1.992 44.070 42.059 0.031 0.000 1.306 343 L HN 0.558 nan 8.230 nan 0.000 0.430 344 L N 2.697 123.931 121.223 0.019 0.000 2.376 344 L HA 0.496 4.836 4.340 -0.000 0.000 0.275 344 L C -0.475 176.426 176.870 0.052 0.000 0.987 344 L CA -0.233 54.629 54.840 0.036 0.000 0.828 344 L CB 1.098 43.175 42.059 0.030 0.000 1.249 344 L HN 0.648 nan 8.230 nan 0.000 0.409 345 N N 4.114 122.740 118.700 -0.123 0.000 2.716 345 N HA -0.226 4.514 4.740 -0.000 0.000 0.250 345 N C 0.894 176.163 175.510 -0.403 0.000 1.033 345 N CA 1.412 54.134 53.050 -0.546 0.000 0.727 345 N CB -1.162 36.889 38.487 -0.727 0.000 0.950 345 N HN 1.172 nan 8.380 nan 0.000 0.541 346 G N -1.991 106.795 108.800 -0.024 0.000 2.225 346 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.254 346 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.254 346 G C -0.057 174.880 174.900 0.063 0.000 0.988 346 G CA 0.842 46.008 45.100 0.109 0.000 0.625 346 G HN 0.502 nan 8.290 nan 0.000 0.527 347 K N 0.995 121.425 120.400 0.049 0.000 2.208 347 K HA 0.547 4.867 4.320 -0.000 0.000 0.247 347 K C -3.019 173.561 176.600 -0.032 0.000 0.953 347 K CA -2.111 54.163 56.287 -0.021 0.000 0.837 347 K CB 2.675 35.085 32.500 -0.150 0.000 1.131 347 K HN 0.048 nan 8.250 nan 0.000 0.431 348 P HA 0.217 nan 4.420 nan 0.000 0.282 348 P C -0.251 176.988 177.300 -0.101 0.000 1.274 348 P CA -0.175 62.882 63.100 -0.072 0.000 0.770 348 P CB 0.553 32.212 31.700 -0.069 0.000 0.867 349 L N 3.411 124.569 121.223 -0.109 0.000 2.456 349 L HA 0.422 4.762 4.340 -0.000 0.000 0.257 349 L C 0.430 177.217 176.870 -0.139 0.000 1.162 349 L CA -0.806 53.957 54.840 -0.128 0.000 0.808 349 L CB 0.571 42.522 42.059 -0.181 0.000 1.136 349 L HN 0.235 nan 8.230 nan 0.000 0.466 350 L N 2.777 123.929 121.223 -0.117 0.000 2.471 350 L HA 0.414 4.754 4.340 -0.000 0.000 0.263 350 L C -0.708 176.103 176.870 -0.099 0.000 0.985 350 L CA -0.198 54.557 54.840 -0.141 0.000 0.868 350 L CB 0.999 43.002 42.059 -0.094 0.000 1.203 350 L HN 0.217 nan 8.230 nan 0.000 0.429 351 I N 4.518 124.966 120.570 -0.203 0.000 2.436 351 I HA 0.214 4.384 4.170 -0.000 0.000 0.289 351 I C 0.565 176.608 176.117 -0.122 0.000 1.083 351 I CA 0.127 61.314 61.300 -0.189 0.000 1.372 351 I CB 0.526 38.290 38.000 -0.393 0.000 1.408 351 I HN 0.553 nan 8.210 nan 0.000 0.516 352 R N 4.745 125.250 120.500 0.010 0.000 3.070 352 R HA 0.448 4.788 4.340 -0.000 0.000 0.252 352 R C 0.544 176.917 176.300 0.123 0.000 1.370 352 R CA -0.262 55.868 56.100 0.051 0.000 1.482 352 R CB 0.754 30.950 30.300 -0.172 0.000 1.220 352 R HN 0.774 nan 8.270 nan 0.000 0.622 353 G N 0.076 108.897 108.800 0.036 0.000 2.509 353 G HA2 0.591 4.551 3.960 -0.000 0.000 0.328 353 G HA3 0.591 4.551 3.960 -0.000 0.000 0.328 353 G C -1.264 173.925 174.900 0.482 0.000 1.194 353 G CA -0.481 44.647 45.100 0.047 0.000 0.967 353 G HN 0.229 nan 8.290 nan 0.000 0.488 354 V N 0.227 120.464 119.914 0.538 0.000 3.012 354 V HA 0.462 4.582 4.120 -0.000 0.000 0.307 354 V C -1.167 175.071 176.094 0.240 0.000 1.166 354 V CA -1.197 61.293 62.300 0.316 0.000 0.974 354 V CB 2.242 33.970 31.823 -0.158 0.000 1.040 354 V HN 0.783 nan 8.190 nan 0.000 0.428 355 N N 4.274 123.023 118.700 0.082 0.000 2.518 355 N HA 0.518 5.258 4.740 -0.000 0.000 0.283 355 N C -0.799 174.500 175.510 -0.351 0.000 1.119 355 N CA -0.423 52.532 53.050 -0.159 0.000 0.983 355 N CB 1.756 40.135 38.487 -0.180 0.000 1.139 355 N HN 0.670 nan 8.380 nan 0.000 0.465 356 R N 1.688 121.944 120.500 -0.408 0.000 2.533 356 R HA 0.251 4.591 4.340 -0.000 0.000 0.288 356 R C -1.190 174.861 176.300 -0.415 0.000 1.039 356 R CA -0.557 55.317 56.100 -0.377 0.000 0.909 356 R CB 1.089 31.175 30.300 -0.357 0.000 1.195 356 R HN 0.579 nan 8.270 nan 0.000 0.438 357 H N 2.002 120.918 119.070 -0.257 0.000 2.495 357 H HA 0.171 4.727 4.556 -0.000 0.000 0.350 357 H C -0.549 174.761 175.328 -0.030 0.000 1.202 357 H CA -0.213 55.771 56.048 -0.106 0.000 1.322 357 H CB 1.667 31.423 29.762 -0.011 0.000 1.544 357 H HN 0.566 nan 8.280 nan 0.000 0.565 358 E N 1.654 122.035 120.200 0.302 0.000 1.963 358 E HA 0.106 4.456 4.350 -0.000 0.000 0.274 358 E C -0.767 175.957 176.600 0.207 0.000 1.061 358 E CA 0.007 56.497 56.400 0.151 0.000 0.847 358 E CB 0.149 29.945 29.700 0.160 0.000 1.083 358 E HN 0.398 nan 8.360 nan 0.000 0.402 359 H N 1.602 120.710 119.070 0.062 0.000 2.947 359 H HA 0.229 4.785 4.556 -0.000 0.000 0.354 359 H C -1.648 173.706 175.328 0.043 0.000 1.085 359 H CA -0.696 55.383 56.048 0.052 0.000 1.253 359 H CB 1.028 30.810 29.762 0.035 0.000 1.757 359 H HN 0.362 nan 8.280 nan 0.000 0.523 360 H N 6.527 125.275 119.070 -0.537 0.000 2.744 360 H HA 0.196 4.752 4.556 -0.000 0.000 0.339 360 H C -2.215 172.700 175.328 -0.689 0.000 1.004 360 H CA -2.442 53.338 56.048 -0.448 0.000 1.257 360 H CB 2.439 32.057 29.762 -0.240 0.000 1.552 360 H HN 0.558 nan 8.280 nan 0.000 0.522 361 P HA -0.154 nan 4.420 nan 0.000 0.216 361 P C 1.392 178.579 177.300 -0.188 0.000 1.150 361 P CA 1.019 63.930 63.100 -0.315 0.000 0.843 361 P CB 0.797 32.340 31.700 -0.263 0.000 0.787 362 L N -2.010 119.233 121.223 0.033 0.000 2.262 362 L HA 0.051 4.391 4.340 -0.000 0.000 0.197 362 L C 2.443 179.225 176.870 -0.147 0.000 1.073 362 L CA 0.845 55.633 54.840 -0.087 0.000 0.800 362 L CB -0.767 41.126 42.059 -0.277 0.000 0.987 362 L HN 0.013 nan 8.230 nan 0.000 0.470 363 H N -0.484 118.511 119.070 -0.125 0.000 2.547 363 H HA 0.161 4.717 4.556 -0.000 0.000 0.266 363 H C 1.450 176.644 175.328 -0.223 0.000 0.988 363 H CA 0.078 55.958 56.048 -0.280 0.000 1.147 363 H CB 0.240 29.712 29.762 -0.482 0.000 1.365 363 H HN 0.471 nan 8.280 nan 0.000 0.589 364 G N 1.552 110.255 108.800 -0.162 0.000 2.543 364 G HA2 -0.403 3.557 3.960 -0.000 0.000 0.286 364 G HA3 -0.403 3.557 3.960 -0.000 0.000 0.286 364 G C 0.582 175.372 174.900 -0.183 0.000 1.153 364 G CA 0.351 45.291 45.100 -0.267 0.000 0.968 364 G HN 0.478 nan 8.290 nan 0.000 0.544 365 Q N 0.080 119.785 119.800 -0.158 0.000 2.247 365 Q HA 0.444 4.784 4.340 -0.000 0.000 0.205 365 Q C 0.304 176.325 176.000 0.034 0.000 0.896 365 Q CA -0.037 55.702 55.803 -0.107 0.000 0.950 365 Q CB 0.768 29.334 28.738 -0.286 0.000 1.054 365 Q HN 0.372 nan 8.270 nan 0.000 0.482 366 V N 1.866 121.807 119.914 0.046 0.000 2.432 366 V HA 0.212 4.332 4.120 -0.000 0.000 0.275 366 V C 0.127 176.259 176.094 0.065 0.000 1.043 366 V CA -0.255 62.097 62.300 0.087 0.000 0.925 366 V CB 0.999 32.825 31.823 0.006 0.000 0.985 366 V HN 0.323 nan 8.190 nan 0.000 0.466 367 M N 4.441 124.079 119.600 0.064 0.000 2.471 367 M HA 0.562 5.042 4.480 -0.000 0.000 0.309 367 M C -0.446 175.811 176.300 -0.072 0.000 1.186 367 M CA -0.601 54.696 55.300 -0.005 0.000 1.008 367 M CB 1.454 34.008 32.600 -0.077 0.000 1.551 367 M HN 0.973 nan 8.290 nan 0.000 0.477 368 D N -2.283 118.080 120.400 -0.062 0.000 2.655 368 D HA 0.213 4.853 4.640 -0.000 0.000 0.229 368 D C 0.195 176.490 176.300 -0.008 0.000 1.229 368 D CA -0.692 53.279 54.000 -0.049 0.000 0.807 368 D CB 1.294 42.100 40.800 0.010 0.000 1.514 368 D HN 0.664 nan 8.370 nan 0.000 0.444 369 E N 0.117 120.322 120.200 0.008 0.000 2.086 369 E HA -0.410 3.940 4.350 -0.000 0.000 0.205 369 E C 1.627 178.282 176.600 0.091 0.000 1.027 369 E CA 1.843 58.282 56.400 0.064 0.000 0.830 369 E CB 0.063 29.814 29.700 0.085 0.000 0.751 369 E HN 0.570 nan 8.360 nan 0.000 0.456 370 Q N -0.329 119.523 119.800 0.087 0.000 2.045 370 Q HA -0.199 4.141 4.340 -0.000 0.000 0.206 370 Q C 2.216 178.280 176.000 0.106 0.000 0.991 370 Q CA 2.505 58.366 55.803 0.097 0.000 0.851 370 Q CB -0.334 28.461 28.738 0.095 0.000 0.911 370 Q HN 0.375 nan 8.270 nan 0.000 0.418 371 T N 1.165 115.789 114.554 0.118 0.000 2.674 371 T HA -0.153 4.197 4.350 -0.000 0.000 0.265 371 T C 2.010 176.788 174.700 0.131 0.000 1.039 371 T CA 1.638 63.815 62.100 0.130 0.000 1.150 371 T CB -0.247 68.714 68.868 0.155 0.000 0.864 371 T HN 0.299 nan 8.240 nan 0.000 0.427 372 M N 0.712 120.393 119.600 0.134 0.000 2.113 372 M HA -0.182 4.298 4.480 -0.000 0.000 0.255 372 M C 2.450 178.879 176.300 0.215 0.000 1.073 372 M CA 1.683 57.125 55.300 0.238 0.000 1.091 372 M CB -0.925 31.844 32.600 0.281 0.000 1.309 372 M HN 0.125 nan 8.290 nan 0.000 0.407 373 V N -0.136 119.851 119.914 0.122 0.000 2.332 373 V HA -0.305 3.815 4.120 -0.000 0.000 0.248 373 V C 2.289 178.378 176.094 -0.008 0.000 1.055 373 V CA 2.052 64.358 62.300 0.009 0.000 1.038 373 V CB -0.966 30.884 31.823 0.045 0.000 0.651 373 V HN 0.552 nan 8.190 nan 0.000 0.450 374 Q N -0.194 119.647 119.800 0.068 0.000 2.045 374 Q HA -0.288 4.052 4.340 -0.000 0.000 0.206 374 Q C 2.115 178.192 176.000 0.128 0.000 0.991 374 Q CA 2.279 58.136 55.803 0.090 0.000 0.851 374 Q CB -0.177 28.628 28.738 0.112 0.000 0.911 374 Q HN 0.625 nan 8.270 nan 0.000 0.418 375 D N 0.246 120.749 120.400 0.172 0.000 2.116 375 D HA -0.189 4.451 4.640 -0.000 0.000 0.193 375 D C 1.884 178.178 176.300 -0.010 0.000 0.998 375 D CA 1.216 55.340 54.000 0.206 0.000 0.836 375 D CB -0.312 40.583 40.800 0.158 0.000 0.951 375 D HN 0.336 nan 8.370 nan 0.000 0.449 376 I N 0.644 121.183 120.570 -0.052 0.000 2.163 376 I HA -0.264 3.906 4.170 -0.000 0.000 0.243 376 I C 2.467 178.475 176.117 -0.182 0.000 1.085 376 I CA 0.713 61.886 61.300 -0.211 0.000 1.347 376 I CB -0.209 37.571 38.000 -0.367 0.000 1.044 376 I HN 0.062 nan 8.210 nan 0.000 0.408 377 L N 0.211 121.361 121.223 -0.122 0.000 2.012 377 L HA -0.262 4.078 4.340 -0.000 0.000 0.210 377 L C 2.643 179.583 176.870 0.117 0.000 1.073 377 L CA 1.730 56.572 54.840 0.003 0.000 0.748 377 L CB -0.820 41.254 42.059 0.025 0.000 0.891 377 L HN 0.341 nan 8.230 nan 0.000 0.431 378 L N -0.862 120.458 121.223 0.162 0.000 1.989 378 L HA -0.299 4.041 4.340 -0.000 0.000 0.211 378 L C 2.808 179.852 176.870 0.289 0.000 1.071 378 L CA 1.574 56.587 54.840 0.289 0.000 0.749 378 L CB -0.408 41.946 42.059 0.493 0.000 0.890 378 L HN 0.313 nan 8.230 nan 0.000 0.431 379 M N -0.619 119.017 119.600 0.059 0.000 2.073 379 M HA -0.280 4.200 4.480 -0.000 0.000 0.258 379 M C 2.348 178.726 176.300 0.131 0.000 1.070 379 M CA 1.877 57.130 55.300 -0.078 0.000 1.103 379 M CB -0.505 31.828 32.600 -0.445 0.000 1.321 379 M HN 0.134 nan 8.290 nan 0.000 0.405 380 K N 0.200 120.575 120.400 -0.042 0.000 2.063 380 K HA -0.212 4.108 4.320 -0.000 0.000 0.208 380 K C 1.903 178.474 176.600 -0.048 0.000 1.048 380 K CA 1.598 57.752 56.287 -0.222 0.000 0.928 380 K CB -0.328 31.853 32.500 -0.532 0.000 0.713 380 K HN 0.558 nan 8.250 nan 0.000 0.442 381 Q N 0.113 120.048 119.800 0.226 0.000 2.291 381 Q HA -0.035 4.305 4.340 -0.000 0.000 0.205 381 Q C 0.993 177.270 176.000 0.463 0.000 0.970 381 Q CA 0.626 56.683 55.803 0.423 0.000 0.876 381 Q CB 0.070 29.038 28.738 0.385 0.000 0.935 381 Q HN 0.287 nan 8.270 nan 0.000 0.455 382 N N 0.680 119.622 118.700 0.404 0.000 2.251 382 N HA 0.039 4.779 4.740 -0.000 0.000 0.217 382 N C -0.535 175.109 175.510 0.224 0.000 1.124 382 N CA 0.073 53.362 53.050 0.399 0.000 0.843 382 N CB 0.647 39.443 38.487 0.514 0.000 1.024 382 N HN 0.176 nan 8.380 nan 0.000 0.501 383 N N -0.135 118.686 118.700 0.203 0.000 2.882 383 N HA -0.168 4.572 4.740 -0.000 0.000 0.249 383 N C -0.768 174.654 175.510 -0.147 0.000 1.079 383 N CA 0.628 53.716 53.050 0.064 0.000 0.800 383 N CB -1.798 36.627 38.487 -0.104 0.000 1.124 383 N HN 0.213 nan 8.380 nan 0.000 0.557 384 F N 1.342 121.302 119.950 0.018 0.000 2.371 384 F HA 0.338 4.865 4.527 -0.000 0.000 0.329 384 F C 1.833 177.619 175.800 -0.024 0.000 1.107 384 F CA -0.307 57.686 58.000 -0.011 0.000 1.137 384 F CB 0.776 39.743 39.000 -0.054 0.000 1.214 384 F HN 0.067 nan 8.300 nan 0.000 0.536 385 N N 0.421 119.240 118.700 0.198 0.000 2.118 385 N HA 0.406 5.146 4.740 -0.000 0.000 0.226 385 N C -0.871 174.702 175.510 0.106 0.000 1.305 385 N CA 0.063 53.164 53.050 0.084 0.000 0.890 385 N CB 0.704 39.282 38.487 0.151 0.000 1.118 385 N HN 0.472 nan 8.380 nan 0.000 0.511 386 A N -0.349 122.598 122.820 0.211 0.000 2.606 386 A HA 0.769 5.089 4.320 -0.000 0.000 0.293 386 A C -1.706 176.099 177.584 0.369 0.000 1.082 386 A CA -0.607 51.613 52.037 0.304 0.000 0.685 386 A CB 1.789 21.016 19.000 0.379 0.000 1.284 386 A HN 0.364 nan 8.150 nan 0.000 0.408 387 V N 0.964 121.119 119.914 0.402 0.000 2.971 387 V HA 0.832 4.952 4.120 -0.000 0.000 0.309 387 V C -0.826 175.354 176.094 0.143 0.000 1.130 387 V CA -0.741 61.744 62.300 0.308 0.000 0.964 387 V CB 1.946 33.840 31.823 0.119 0.000 1.029 387 V HN 1.172 nan 8.190 nan 0.000 0.427 388 R N 4.712 125.127 120.500 -0.141 0.000 2.387 388 R HA 0.496 4.836 4.340 -0.000 0.000 0.314 388 R C -0.762 175.372 176.300 -0.277 0.000 0.958 388 R CA -0.477 55.386 56.100 -0.395 0.000 0.846 388 R CB 1.157 30.942 30.300 -0.858 0.000 1.147 388 R HN 0.855 nan 8.270 nan 0.000 0.447 389 C N 4.341 123.518 119.300 -0.206 0.000 3.329 389 C HA 0.100 4.560 4.460 -0.000 0.000 0.537 389 C C 0.516 175.210 174.990 -0.493 0.000 1.034 389 C CA -0.452 58.398 59.018 -0.280 0.000 1.086 389 C CB -2.181 25.505 27.740 -0.091 0.000 1.392 389 C HN 0.700 nan 8.230 nan 0.000 0.612 390 S N 1.469 116.756 115.700 -0.688 0.000 2.465 390 S HA 0.167 4.637 4.470 -0.000 0.000 0.280 390 S C -0.123 173.614 174.600 -1.437 0.000 1.232 390 S CA 0.153 57.669 58.200 -1.140 0.000 1.066 390 S CB 0.067 62.497 63.200 -1.284 0.000 0.929 390 S HN 0.738 nan 8.310 nan 0.000 0.494 391 H N 3.491 121.936 119.070 -1.041 0.000 2.597 391 H HA 0.302 4.858 4.556 -0.000 0.000 0.225 391 H C -1.179 173.998 175.328 -0.253 0.000 1.422 391 H CA -0.365 55.443 56.048 -0.401 0.000 1.335 391 H CB -0.055 29.681 29.762 -0.042 0.000 1.783 391 H HN 0.895 nan 8.280 nan 0.000 0.513 392 Y N -2.669 117.741 120.300 0.184 0.000 0.000 392 Y HA 0.378 4.928 4.550 -0.000 0.000 0.000 392 Y C -3.328 172.681 175.900 0.181 0.000 0.000 392 Y CA -2.901 55.312 58.100 0.189 0.000 0.000 392 Y CB -0.064 38.513 38.460 0.194 0.000 0.000 392 Y HN -0.081 nan 8.280 nan 0.000 0.000 393 P HA 0.188 nan 4.420 nan 0.000 0.271 393 P C -0.688 176.921 177.300 0.517 0.000 1.216 393 P CA 0.131 63.500 63.100 0.449 0.000 0.776 393 P CB 0.649 32.541 31.700 0.320 0.000 0.881 394 N N 0.295 119.312 118.700 0.528 0.000 2.478 394 N HA 0.104 4.844 4.740 -0.000 0.000 0.275 394 N C 0.046 175.816 175.510 0.434 0.000 1.221 394 N CA -0.609 52.658 53.050 0.362 0.000 0.979 394 N CB 0.416 38.884 38.487 -0.031 0.000 1.202 394 N HN 0.595 nan 8.380 nan 0.000 0.564 395 H N 1.963 121.150 119.070 0.194 0.000 3.034 395 H HA 0.007 4.563 4.556 -0.000 0.000 0.324 395 H C -1.747 173.792 175.328 0.351 0.000 1.015 395 H CA -0.823 55.344 56.048 0.198 0.000 1.429 395 H CB 0.986 30.815 29.762 0.112 0.000 1.429 395 H HN 0.411 nan 8.280 nan 0.000 0.585 396 P HA -0.227 nan 4.420 nan 0.000 0.217 396 P C 1.847 179.488 177.300 0.570 0.000 1.151 396 P CA 0.844 64.187 63.100 0.405 0.000 0.849 396 P CB 0.166 31.897 31.700 0.052 0.000 0.787 397 L N -1.218 120.429 121.223 0.707 0.000 2.131 397 L HA -0.080 4.260 4.340 -0.000 0.000 0.210 397 L C 2.317 179.427 176.870 0.400 0.000 1.092 397 L CA 1.477 56.623 54.840 0.509 0.000 0.759 397 L CB -1.419 40.928 42.059 0.480 0.000 0.903 397 L HN 0.060 nan 8.230 nan 0.000 0.435 398 W N -0.262 121.138 121.300 0.166 0.000 2.302 398 W HA -0.396 4.264 4.660 -0.000 0.000 0.320 398 W C 2.210 178.637 176.519 -0.153 0.000 1.241 398 W CA 2.208 59.499 57.345 -0.089 0.000 1.264 398 W CB -0.491 28.784 29.460 -0.309 0.000 1.154 398 W HN 0.283 nan 8.180 nan 0.000 0.483 399 Y N 0.631 120.888 120.300 -0.071 0.000 2.207 399 Y HA -0.243 4.307 4.550 -0.000 0.000 0.287 399 Y C 2.848 178.531 175.900 -0.362 0.000 1.156 399 Y CA 2.140 59.962 58.100 -0.462 0.000 1.182 399 Y CB -1.426 36.465 38.460 -0.949 0.000 0.979 399 Y HN -0.173 nan 8.280 nan 0.000 0.521 400 T N 0.579 115.172 114.554 0.064 0.000 2.777 400 T HA -0.134 4.216 4.350 -0.000 0.000 0.266 400 T C 2.047 176.785 174.700 0.065 0.000 1.040 400 T CA 1.269 63.461 62.100 0.153 0.000 1.141 400 T CB -0.547 68.460 68.868 0.232 0.000 0.868 400 T HN 0.223 nan 8.240 nan 0.000 0.444 401 L N 0.507 121.745 121.223 0.024 0.000 2.012 401 L HA -0.160 4.180 4.340 -0.000 0.000 0.210 401 L C 2.905 179.779 176.870 0.006 0.000 1.073 401 L CA 1.137 56.014 54.840 0.063 0.000 0.748 401 L CB -0.802 41.258 42.059 0.001 0.000 0.891 401 L HN 0.387 nan 8.230 nan 0.000 0.431 402 C N -0.361 118.769 119.300 -0.285 0.000 2.425 402 C HA -0.155 4.305 4.460 -0.000 0.000 0.277 402 C C 2.426 177.436 174.990 0.033 0.000 1.280 402 C CA 0.391 59.258 59.018 -0.252 0.000 1.744 402 C CB -0.868 26.595 27.740 -0.462 0.000 1.989 402 C HN 0.543 nan 8.230 nan 0.000 0.491 403 D N 0.493 120.912 120.400 0.033 0.000 2.117 403 D HA -0.099 4.541 4.640 -0.000 0.000 0.197 403 D C 2.409 178.873 176.300 0.275 0.000 0.987 403 D CA 1.159 55.242 54.000 0.138 0.000 0.829 403 D CB -0.339 40.511 40.800 0.084 0.000 0.961 403 D HN 0.575 nan 8.370 nan 0.000 0.460 404 R N -0.746 119.822 120.500 0.114 0.000 2.075 404 R HA -0.023 4.317 4.340 -0.000 0.000 0.226 404 R C 2.269 178.498 176.300 -0.119 0.000 1.114 404 R CA 0.596 56.691 56.100 -0.008 0.000 0.972 404 R CB -0.369 29.845 30.300 -0.144 0.000 0.869 404 R HN 0.305 nan 8.270 nan 0.000 0.437 405 Y N 0.408 120.723 120.300 0.025 0.000 2.337 405 Y HA 0.093 4.643 4.550 -0.000 0.000 0.293 405 Y C 1.077 176.907 175.900 -0.116 0.000 1.123 405 Y CA 0.920 59.003 58.100 -0.028 0.000 1.201 405 Y CB 0.471 38.884 38.460 -0.079 0.000 1.011 405 Y HN 0.310 nan 8.280 nan 0.000 0.545 406 G N 1.110 109.938 108.800 0.047 0.000 2.858 406 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.272 406 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.272 406 G C -1.173 173.559 174.900 -0.281 0.000 1.003 406 G CA -0.592 44.397 45.100 -0.185 0.000 1.241 406 G HN 0.147 nan 8.290 nan 0.000 0.569 407 L N 1.037 122.165 121.223 -0.158 0.000 2.464 407 L HA 0.464 4.804 4.340 -0.000 0.000 0.266 407 L C 0.008 176.834 176.870 -0.073 0.000 0.965 407 L CA -1.265 53.433 54.840 -0.237 0.000 0.833 407 L CB 1.994 43.940 42.059 -0.188 0.000 1.296 407 L HN 0.457 nan 8.230 nan 0.000 0.405 408 Y N 2.083 122.478 120.300 0.159 0.000 2.411 408 Y HA 0.372 4.922 4.550 -0.000 0.000 0.333 408 Y C 0.276 176.266 175.900 0.150 0.000 1.186 408 Y CA -0.584 57.637 58.100 0.202 0.000 1.381 408 Y CB 1.135 39.705 38.460 0.182 0.000 1.273 408 Y HN 0.155 nan 8.280 nan 0.000 0.546 409 V N 3.630 123.704 119.914 0.268 0.000 2.735 409 V HA 0.374 4.494 4.120 -0.000 0.000 0.310 409 V C -0.711 175.441 176.094 0.096 0.000 1.061 409 V CA -1.052 61.343 62.300 0.158 0.000 0.913 409 V CB 2.023 33.895 31.823 0.082 0.000 1.005 409 V HN 0.454 nan 8.190 nan 0.000 0.428 410 V N 2.597 122.547 119.914 0.061 0.000 2.328 410 V HA 0.358 4.478 4.120 -0.000 0.000 0.278 410 V C -0.388 175.732 176.094 0.044 0.000 1.021 410 V CA -0.409 61.889 62.300 -0.004 0.000 0.838 410 V CB 1.426 33.174 31.823 -0.126 0.000 0.999 410 V HN 0.878 nan 8.190 nan 0.000 0.447 411 D N 4.021 124.478 120.400 0.095 0.000 2.264 411 D HA 0.316 4.955 4.640 -0.000 0.000 0.250 411 D C -0.217 176.255 176.300 0.286 0.000 1.113 411 D CA 0.036 54.188 54.000 0.253 0.000 0.871 411 D CB 1.295 42.292 40.800 0.329 0.000 1.167 411 D HN 0.710 nan 8.370 nan 0.000 0.447 412 E N 1.714 122.059 120.200 0.242 0.000 2.234 412 E HA 0.616 4.966 4.350 -0.000 0.000 0.266 412 E C -1.130 175.608 176.600 0.231 0.000 0.877 412 E CA -1.074 55.457 56.400 0.218 0.000 0.758 412 E CB 1.418 31.197 29.700 0.132 0.000 1.170 412 E HN 0.451 nan 8.360 nan 0.000 0.415 413 A N 3.648 126.600 122.820 0.220 0.000 2.445 413 A HA 0.078 4.398 4.320 -0.000 0.000 0.242 413 A C 0.337 178.047 177.584 0.211 0.000 1.075 413 A CA -0.275 51.875 52.037 0.188 0.000 0.777 413 A CB 0.173 19.251 19.000 0.130 0.000 1.013 413 A HN 0.685 nan 8.150 nan 0.000 0.493 414 N N 1.469 120.303 118.700 0.223 0.000 2.892 414 N HA 0.194 4.934 4.740 -0.000 0.000 0.300 414 N C -0.921 174.717 175.510 0.214 0.000 1.211 414 N CA 0.278 53.489 53.050 0.269 0.000 1.158 414 N CB -0.899 37.755 38.487 0.278 0.000 1.455 414 N HN 0.469 nan 8.380 nan 0.000 0.524 415 I N 0.677 121.366 120.570 0.199 0.000 2.534 415 I HA 0.271 4.441 4.170 -0.000 0.000 0.286 415 I C -0.620 175.590 176.117 0.156 0.000 1.094 415 I CA -0.688 60.710 61.300 0.163 0.000 1.055 415 I CB 1.971 40.042 38.000 0.118 0.000 1.225 415 I HN 0.216 nan 8.210 nan 0.000 0.435 416 E N 4.190 124.479 120.200 0.149 0.000 2.278 416 E HA 0.413 4.763 4.350 -0.000 0.000 0.272 416 E C -0.527 176.145 176.600 0.120 0.000 0.890 416 E CA -0.438 56.024 56.400 0.104 0.000 0.770 416 E CB 1.862 31.599 29.700 0.062 0.000 1.212 416 E HN 0.671 nan 8.360 nan 0.000 0.415 417 T N 0.536 115.153 114.554 0.105 0.000 3.380 417 T HA 0.138 4.488 4.350 -0.000 0.000 0.289 417 T C 0.973 175.736 174.700 0.106 0.000 1.012 417 T CA -0.285 61.903 62.100 0.147 0.000 0.944 417 T CB -0.329 68.595 68.868 0.093 0.000 1.172 417 T HN 0.679 nan 8.240 nan 0.000 0.502 418 H N 1.188 120.189 119.070 -0.116 0.000 2.362 418 H HA -0.133 4.423 4.556 -0.000 0.000 0.294 418 H C 2.264 177.469 175.328 -0.205 0.000 1.113 418 H CA 1.440 57.386 56.048 -0.171 0.000 1.253 418 H CB -0.234 29.399 29.762 -0.215 0.000 1.363 418 H HN 0.576 nan 8.280 nan 0.000 0.494 419 G N 0.227 108.865 108.800 -0.270 0.000 2.650 419 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.214 419 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.214 419 G C 0.644 175.625 174.900 0.135 0.000 1.136 419 G CA -0.142 44.819 45.100 -0.232 0.000 0.789 419 G HN 0.147 nan 8.290 nan 0.000 0.536 420 M N 0.152 119.883 119.600 0.219 0.000 2.131 420 M HA 0.314 4.794 4.480 -0.000 0.000 0.283 420 M C -0.314 176.021 176.300 0.058 0.000 1.225 420 M CA 0.142 55.535 55.300 0.154 0.000 1.153 420 M CB 1.084 33.730 32.600 0.077 0.000 1.380 420 M HN -0.162 nan 8.290 nan 0.000 0.458 421 V N 2.161 122.088 119.914 0.021 0.000 2.653 421 V HA 0.296 4.416 4.120 -0.000 0.000 0.298 421 V C -2.112 173.974 176.094 -0.014 0.000 1.097 421 V CA -1.310 60.990 62.300 0.000 0.000 0.908 421 V CB 1.936 33.756 31.823 -0.004 0.000 1.024 421 V HN 0.748 nan 8.190 nan 0.000 0.435 422 P HA 0.214 nan 4.420 nan 0.000 0.273 422 P C 1.134 178.435 177.300 0.001 0.000 1.250 422 P CA -0.456 62.640 63.100 -0.007 0.000 0.793 422 P CB 0.858 32.555 31.700 -0.004 0.000 1.011 423 M N 0.886 120.493 119.600 0.012 0.000 2.255 423 M HA -0.233 4.247 4.480 -0.000 0.000 0.259 423 M C 1.089 177.406 176.300 0.029 0.000 1.071 423 M CA 2.163 57.481 55.300 0.029 0.000 1.074 423 M CB -0.420 32.195 32.600 0.025 0.000 1.384 423 M HN 0.399 nan 8.290 nan 0.000 0.415 424 N N -0.261 118.452 118.700 0.023 0.000 2.251 424 N HA -0.040 4.700 4.740 -0.000 0.000 0.217 424 N C 1.053 176.529 175.510 -0.057 0.000 1.124 424 N CA 0.073 53.131 53.050 0.013 0.000 0.843 424 N CB -0.593 37.924 38.487 0.050 0.000 1.024 424 N HN 0.349 nan 8.380 nan 0.000 0.501 425 R N 0.617 121.073 120.500 -0.074 0.000 2.134 425 R HA -0.090 4.250 4.340 -0.000 0.000 0.248 425 R C 1.548 177.728 176.300 -0.201 0.000 1.143 425 R CA 1.891 57.921 56.100 -0.115 0.000 0.957 425 R CB -0.160 30.070 30.300 -0.117 0.000 0.867 425 R HN 0.327 nan 8.270 nan 0.000 0.441 426 L N -0.992 120.044 121.223 -0.311 0.000 2.168 426 L HA 0.004 4.344 4.340 -0.000 0.000 0.203 426 L C 2.476 179.164 176.870 -0.304 0.000 1.078 426 L CA 1.284 55.810 54.840 -0.524 0.000 0.780 426 L CB -0.772 40.697 42.059 -0.985 0.000 0.939 426 L HN 0.366 nan 8.230 nan 0.000 0.451 427 T N -3.660 110.753 114.554 -0.235 0.000 2.897 427 T HA -0.209 4.141 4.350 -0.000 0.000 0.271 427 T C 1.242 175.819 174.700 -0.204 0.000 1.084 427 T CA 1.441 63.383 62.100 -0.263 0.000 1.123 427 T CB -0.352 68.327 68.868 -0.315 0.000 0.865 427 T HN 0.133 nan 8.240 nan 0.000 0.496 428 D N 1.305 121.626 120.400 -0.131 0.000 2.342 428 D HA 0.138 4.778 4.640 -0.000 0.000 0.221 428 D C -0.492 175.778 176.300 -0.051 0.000 1.101 428 D CA -0.224 53.719 54.000 -0.094 0.000 0.837 428 D CB -0.030 40.726 40.800 -0.073 0.000 0.938 428 D HN 0.342 nan 8.370 nan 0.000 0.508 429 D N -0.593 119.792 120.400 -0.026 0.000 2.481 429 D HA 0.187 4.827 4.640 -0.000 0.000 0.246 429 D C -1.828 174.537 176.300 0.109 0.000 1.109 429 D CA -2.320 51.715 54.000 0.057 0.000 0.845 429 D CB 2.236 43.109 40.800 0.120 0.000 1.160 429 D HN -0.149 nan 8.370 nan 0.000 0.534 430 P HA -0.186 nan 4.420 nan 0.000 0.216 430 P C 1.105 178.415 177.300 0.016 0.000 1.154 430 P CA 1.249 64.362 63.100 0.021 0.000 0.865 430 P CB 0.170 31.870 31.700 0.001 0.000 0.789 431 R N -1.799 118.716 120.500 0.025 0.000 2.211 431 R HA -0.143 4.197 4.340 -0.000 0.000 0.240 431 R C 1.772 177.928 176.300 -0.240 0.000 1.144 431 R CA 1.459 57.493 56.100 -0.110 0.000 0.992 431 R CB -0.832 29.375 30.300 -0.155 0.000 0.869 431 R HN 0.365 nan 8.270 nan 0.000 0.462 432 W N -0.043 121.198 121.300 -0.098 0.000 3.278 432 W HA 0.147 4.807 4.660 -0.000 0.000 0.308 432 W C 1.585 178.043 176.519 -0.103 0.000 1.253 432 W CA -0.603 56.683 57.345 -0.099 0.000 1.759 432 W CB -0.033 29.364 29.460 -0.106 0.000 1.093 432 W HN -0.002 nan 8.180 nan 0.000 0.648 433 L N 2.381 123.650 121.223 0.078 0.000 2.042 433 L HA -0.078 4.262 4.340 -0.000 0.000 0.210 433 L C -0.750 176.093 176.870 -0.047 0.000 1.076 433 L CA 2.306 57.145 54.840 -0.002 0.000 0.749 433 L CB -1.690 40.354 42.059 -0.025 0.000 0.893 433 L HN -0.231 nan 8.230 nan 0.000 0.432 434 P HA -0.105 nan 4.420 nan 0.000 0.215 434 P C 1.663 178.916 177.300 -0.080 0.000 1.157 434 P CA 2.075 65.120 63.100 -0.092 0.000 0.863 434 P CB -0.252 31.385 31.700 -0.105 0.000 0.787 435 A N -0.343 122.444 122.820 -0.055 0.000 1.873 435 A HA -0.240 4.080 4.320 -0.000 0.000 0.218 435 A C 2.296 179.890 177.584 0.017 0.000 1.193 435 A CA 2.308 54.344 52.037 -0.002 0.000 0.629 435 A CB -1.641 17.406 19.000 0.078 0.000 0.826 435 A HN 0.075 nan 8.150 nan 0.000 0.447 436 M N -0.171 119.451 119.600 0.036 0.000 2.108 436 M HA -0.184 4.296 4.480 -0.000 0.000 0.261 436 M C 2.601 178.851 176.300 -0.084 0.000 1.066 436 M CA 1.916 57.211 55.300 -0.009 0.000 1.107 436 M CB -0.563 32.011 32.600 -0.043 0.000 1.356 436 M HN 0.689 nan 8.290 nan 0.000 0.406 437 S N 0.532 116.158 115.700 -0.124 0.000 2.365 437 S HA -0.220 4.250 4.470 -0.000 0.000 0.225 437 S C 1.696 176.139 174.600 -0.262 0.000 1.039 437 S CA 1.712 59.776 58.200 -0.227 0.000 1.033 437 S CB -0.415 62.642 63.200 -0.237 0.000 0.887 437 S HN 0.488 nan 8.310 nan 0.000 0.447 438 E N 0.650 120.745 120.200 -0.176 0.000 2.110 438 E HA -0.137 4.213 4.350 -0.000 0.000 0.193 438 E C 2.454 178.975 176.600 -0.131 0.000 0.988 438 E CA 1.013 57.319 56.400 -0.157 0.000 0.804 438 E CB -0.224 29.418 29.700 -0.096 0.000 0.745 438 E HN 0.582 nan 8.360 nan 0.000 0.458 439 R N 0.172 120.622 120.500 -0.083 0.000 2.120 439 R HA -0.106 4.234 4.340 -0.000 0.000 0.234 439 R C 2.349 178.609 176.300 -0.067 0.000 1.123 439 R CA 0.917 56.995 56.100 -0.036 0.000 0.975 439 R CB -0.015 30.297 30.300 0.022 0.000 0.866 439 R HN 0.019 nan 8.270 nan 0.000 0.446 440 V N 0.000 119.827 119.914 -0.145 0.000 2.426 440 V HA -0.174 3.946 4.120 -0.000 0.000 0.242 440 V C 2.356 178.297 176.094 -0.255 0.000 1.036 440 V CA 2.010 64.210 62.300 -0.165 0.000 1.044 440 V CB -0.394 31.316 31.823 -0.188 0.000 0.688 440 V HN 0.513 nan 8.190 nan 0.000 0.462 441 T N -0.217 114.066 114.554 -0.451 0.000 2.665 441 T HA -0.309 4.041 4.350 -0.000 0.000 0.268 441 T C 1.945 176.516 174.700 -0.215 0.000 1.035 441 T CA 1.769 63.543 62.100 -0.544 0.000 1.151 441 T CB -0.485 67.954 68.868 -0.714 0.000 0.862 441 T HN 0.403 nan 8.240 nan 0.000 0.438 442 R N 0.464 120.853 120.500 -0.184 0.000 2.081 442 R HA 0.074 4.414 4.340 -0.000 0.000 0.235 442 R C 2.718 178.955 176.300 -0.106 0.000 1.131 442 R CA 1.636 57.662 56.100 -0.124 0.000 0.960 442 R CB -0.544 29.691 30.300 -0.108 0.000 0.856 442 R HN 0.487 nan 8.270 nan 0.000 0.436 443 M N 0.814 120.360 119.600 -0.090 0.000 2.080 443 M HA -0.182 4.298 4.480 -0.000 0.000 0.260 443 M C 2.008 178.252 176.300 -0.094 0.000 1.068 443 M CA 1.747 57.020 55.300 -0.044 0.000 1.109 443 M CB -0.033 32.580 32.600 0.022 0.000 1.342 443 M HN -0.019 nan 8.290 nan 0.000 0.405 444 V N 0.740 120.504 119.914 -0.250 0.000 2.332 444 V HA -0.316 3.804 4.120 -0.000 0.000 0.248 444 V C 2.318 178.302 176.094 -0.184 0.000 1.055 444 V CA 2.183 64.207 62.300 -0.459 0.000 1.038 444 V CB -0.964 30.570 31.823 -0.480 0.000 0.651 444 V HN 0.599 nan 8.190 nan 0.000 0.450 445 Q N -0.751 118.980 119.800 -0.116 0.000 2.135 445 Q HA -0.242 4.098 4.340 -0.000 0.000 0.204 445 Q C 2.513 178.440 176.000 -0.123 0.000 0.981 445 Q CA 1.788 57.538 55.803 -0.089 0.000 0.856 445 Q CB -0.161 28.547 28.738 -0.051 0.000 0.902 445 Q HN 0.540 nan 8.270 nan 0.000 0.425 446 R N 0.100 120.520 120.500 -0.134 0.000 2.075 446 R HA -0.094 4.246 4.340 -0.000 0.000 0.226 446 R C 0.584 176.804 176.300 -0.133 0.000 1.114 446 R CA 1.403 57.397 56.100 -0.177 0.000 0.972 446 R CB 0.367 30.561 30.300 -0.176 0.000 0.869 446 R HN 0.147 nan 8.270 nan 0.000 0.437 447 D N -0.185 120.202 120.400 -0.021 0.000 2.369 447 D HA -0.009 4.631 4.640 -0.000 0.000 0.211 447 D C 1.406 177.807 176.300 0.167 0.000 1.077 447 D CA 0.177 54.213 54.000 0.060 0.000 0.842 447 D CB 0.296 41.104 40.800 0.014 0.000 0.947 447 D HN 0.325 nan 8.370 nan 0.000 0.509 448 R N 0.811 121.422 120.500 0.185 0.000 2.303 448 R HA -0.003 4.337 4.340 -0.000 0.000 0.225 448 R C 0.994 177.283 176.300 -0.019 0.000 1.114 448 R CA 1.096 57.319 56.100 0.204 0.000 1.007 448 R CB -0.421 29.966 30.300 0.145 0.000 0.861 448 R HN -0.029 nan 8.270 nan 0.000 0.471 449 N N 0.283 118.886 118.700 -0.161 0.000 2.412 449 N HA -0.033 4.707 4.740 -0.000 0.000 0.184 449 N C -0.405 174.958 175.510 -0.245 0.000 1.101 449 N CA 0.254 53.163 53.050 -0.235 0.000 0.881 449 N CB 0.059 38.355 38.487 -0.317 0.000 0.969 449 N HN 0.369 nan 8.380 nan 0.000 0.459 450 H N 1.580 120.564 119.070 -0.142 0.000 2.742 450 H HA 0.095 4.651 4.556 -0.000 0.000 0.302 450 H C -1.201 173.963 175.328 -0.274 0.000 1.069 450 H CA -1.203 54.742 56.048 -0.171 0.000 1.446 450 H CB 1.537 31.235 29.762 -0.108 0.000 1.462 450 H HN 0.030 nan 8.280 nan 0.000 0.499 451 P HA -0.154 nan 4.420 nan 0.000 0.218 451 P C 1.385 178.266 177.300 -0.698 0.000 1.148 451 P CA 1.170 63.925 63.100 -0.574 0.000 0.822 451 P CB 0.212 31.318 31.700 -0.991 0.000 0.784 452 S N -1.309 114.051 115.700 -0.566 0.000 2.447 452 S HA -0.013 4.457 4.470 -0.000 0.000 0.233 452 S C 1.053 175.616 174.600 -0.061 0.000 1.006 452 S CA 0.171 58.214 58.200 -0.262 0.000 0.957 452 S CB -1.312 61.853 63.200 -0.058 0.000 0.773 452 S HN -0.069 nan 8.310 nan 0.000 0.507 453 V N 3.477 123.315 119.914 -0.127 0.000 2.470 453 V HA 0.262 4.382 4.120 -0.000 0.000 0.276 453 V C 0.985 176.930 176.094 -0.248 0.000 1.040 453 V CA -0.078 62.114 62.300 -0.181 0.000 1.008 453 V CB 0.614 32.235 31.823 -0.338 0.000 0.990 453 V HN 0.627 nan 8.190 nan 0.000 0.477 454 I N 2.662 123.129 120.570 -0.173 0.000 4.327 454 I HA 0.526 4.696 4.170 -0.000 0.000 0.331 454 I C 0.240 176.231 176.117 -0.211 0.000 1.348 454 I CA 0.336 61.542 61.300 -0.157 0.000 1.152 454 I CB 0.495 38.481 38.000 -0.023 0.000 1.151 454 I HN 0.312 nan 8.210 nan 0.000 0.410 455 I N 0.246 120.663 120.570 -0.254 0.000 2.752 455 I HA 0.369 4.539 4.170 -0.000 0.000 0.295 455 I C -1.627 174.371 176.117 -0.199 0.000 1.219 455 I CA -0.433 60.760 61.300 -0.177 0.000 1.030 455 I CB 2.167 40.162 38.000 -0.009 0.000 1.259 455 I HN 0.014 nan 8.210 nan 0.000 0.423 456 W N 3.548 124.893 121.300 0.075 0.000 2.496 456 W HA 0.637 5.297 4.660 -0.000 0.000 0.327 456 W C 0.311 176.893 176.519 0.105 0.000 1.086 456 W CA -0.704 56.692 57.345 0.085 0.000 1.222 456 W CB 1.725 31.230 29.460 0.074 0.000 1.304 456 W HN 0.309 nan 8.180 nan 0.000 0.547 457 S N 2.895 118.825 115.700 0.383 0.000 2.532 457 S HA 0.391 4.861 4.470 -0.000 0.000 0.299 457 S C 0.250 175.019 174.600 0.283 0.000 1.105 457 S CA -0.710 57.665 58.200 0.291 0.000 1.018 457 S CB 0.815 64.140 63.200 0.208 0.000 1.021 457 S HN 0.595 nan 8.310 nan 0.000 0.483 458 L N 4.099 125.487 121.223 0.275 0.000 2.610 458 L HA 0.317 4.657 4.340 -0.000 0.000 0.232 458 L C 1.424 178.389 176.870 0.158 0.000 1.149 458 L CA 0.577 55.515 54.840 0.165 0.000 0.872 458 L CB -1.217 40.846 42.059 0.006 0.000 0.992 458 L HN 0.998 nan 8.230 nan 0.000 0.447 459 G N -0.003 108.961 108.800 0.274 0.000 2.250 459 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.252 459 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.252 459 G C -1.661 173.431 174.900 0.320 0.000 1.325 459 G CA -0.529 44.728 45.100 0.261 0.000 1.091 459 G HN 0.183 nan 8.290 nan 0.000 0.476 460 N N 0.185 119.026 118.700 0.234 0.000 2.504 460 N HA 0.438 5.178 4.740 -0.000 0.000 0.268 460 N C -0.532 174.943 175.510 -0.059 0.000 1.184 460 N CA 0.149 53.195 53.050 -0.007 0.000 0.875 460 N CB 1.398 39.621 38.487 -0.440 0.000 1.630 460 N HN 0.947 nan 8.380 nan 0.000 0.486 461 E N 0.719 120.790 120.200 -0.216 0.000 2.131 461 E HA -0.198 4.152 4.350 -0.000 0.000 0.166 461 E C -0.840 175.691 176.600 -0.115 0.000 1.514 461 E CA 0.791 56.993 56.400 -0.330 0.000 0.646 461 E CB -1.562 27.645 29.700 -0.821 0.000 1.051 461 E HN 0.417 nan 8.360 nan 0.000 0.315 462 S N 0.056 115.833 115.700 0.128 0.000 2.941 462 S HA 0.415 4.885 4.470 -0.000 0.000 0.251 462 S C 0.763 175.535 174.600 0.287 0.000 1.029 462 S CA -0.177 58.148 58.200 0.208 0.000 1.062 462 S CB 1.405 64.776 63.200 0.285 0.000 0.977 462 S HN 0.903 nan 8.310 nan 0.000 0.552 463 G N 2.060 110.974 108.800 0.190 0.000 2.575 463 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.267 463 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.267 463 G C -0.500 174.619 174.900 0.367 0.000 1.264 463 G CA 0.020 45.234 45.100 0.190 0.000 0.935 463 G HN 0.648 nan 8.290 nan 0.000 0.568 464 H N 0.498 119.697 119.070 0.215 0.000 2.840 464 H HA 0.582 5.138 4.556 -0.000 0.000 0.340 464 H C 0.157 175.663 175.328 0.297 0.000 1.004 464 H CA 0.089 56.291 56.048 0.256 0.000 1.288 464 H CB 0.935 30.777 29.762 0.132 0.000 1.607 464 H HN 1.219 nan 8.280 nan 0.000 0.522 465 G N 1.399 110.203 108.800 0.005 0.000 2.680 465 G HA2 0.458 4.418 3.960 -0.000 0.000 0.290 465 G HA3 0.458 4.418 3.960 -0.000 0.000 0.290 465 G C 0.501 175.231 174.900 -0.283 0.000 1.355 465 G CA -0.162 44.795 45.100 -0.237 0.000 0.903 465 G HN 0.657 nan 8.290 nan 0.000 0.474 466 A N 0.368 123.069 122.820 -0.197 0.000 2.032 466 A HA -0.120 4.200 4.320 -0.000 0.000 0.221 466 A C 2.116 179.664 177.584 -0.061 0.000 1.165 466 A CA 2.047 54.026 52.037 -0.097 0.000 0.645 466 A CB -0.460 18.509 19.000 -0.052 0.000 0.807 466 A HN 0.549 nan 8.150 nan 0.000 0.453 467 N N -0.296 118.324 118.700 -0.133 0.000 2.205 467 N HA -0.156 4.584 4.740 -0.000 0.000 0.186 467 N C 1.372 176.818 175.510 -0.105 0.000 1.015 467 N CA 1.727 54.692 53.050 -0.141 0.000 0.862 467 N CB -0.704 37.668 38.487 -0.192 0.000 0.986 467 N HN 0.801 nan 8.380 nan 0.000 0.429 468 H N 0.488 119.512 119.070 -0.076 0.000 2.321 468 H HA -0.038 4.518 4.556 -0.000 0.000 0.300 468 H C 1.276 176.655 175.328 0.086 0.000 1.087 468 H CA 1.330 57.349 56.048 -0.048 0.000 1.319 468 H CB 0.129 29.855 29.762 -0.061 0.000 1.379 468 H HN 0.164 nan 8.280 nan 0.000 0.501 469 D N 0.496 121.041 120.400 0.242 0.000 2.104 469 D HA -0.159 4.481 4.640 -0.000 0.000 0.194 469 D C 2.301 178.750 176.300 0.248 0.000 0.994 469 D CA 1.246 55.387 54.000 0.236 0.000 0.830 469 D CB -0.561 40.347 40.800 0.181 0.000 0.959 469 D HN 0.431 nan 8.370 nan 0.000 0.452 470 A N 0.701 123.617 122.820 0.160 0.000 1.908 470 A HA -0.137 4.183 4.320 -0.000 0.000 0.218 470 A C 2.408 180.102 177.584 0.184 0.000 1.181 470 A CA 1.018 53.142 52.037 0.145 0.000 0.627 470 A CB -0.741 18.302 19.000 0.072 0.000 0.818 470 A HN 0.217 nan 8.150 nan 0.000 0.445 471 L N -2.313 119.007 121.223 0.162 0.000 2.109 471 L HA -0.132 4.208 4.340 -0.000 0.000 0.207 471 L C 2.561 179.581 176.870 0.249 0.000 1.086 471 L CA 1.479 56.415 54.840 0.161 0.000 0.760 471 L CB -0.683 41.405 42.059 0.048 0.000 0.910 471 L HN 0.599 nan 8.230 nan 0.000 0.437 472 Y N 0.909 121.295 120.300 0.143 0.000 2.081 472 Y HA -0.309 4.241 4.550 -0.000 0.000 0.280 472 Y C 2.899 178.881 175.900 0.137 0.000 1.163 472 Y CA 1.599 59.784 58.100 0.142 0.000 1.135 472 Y CB -0.207 38.337 38.460 0.139 0.000 0.970 472 Y HN -0.058 nan 8.280 nan 0.000 0.498 473 R N 0.053 120.681 120.500 0.213 0.000 2.083 473 R HA -0.253 4.087 4.340 -0.000 0.000 0.237 473 R C 2.116 178.419 176.300 0.005 0.000 1.137 473 R CA 2.049 58.201 56.100 0.086 0.000 0.951 473 R CB -1.736 28.686 30.300 0.202 0.000 0.851 473 R HN 0.680 nan 8.270 nan 0.000 0.434 474 W N 1.244 122.505 121.300 -0.065 0.000 2.318 474 W HA -0.197 4.463 4.660 -0.000 0.000 0.313 474 W C 1.964 178.392 176.519 -0.152 0.000 1.221 474 W CA 1.955 59.246 57.345 -0.090 0.000 1.266 474 W CB -0.443 28.969 29.460 -0.081 0.000 1.150 474 W HN 0.035 nan 8.180 nan 0.000 0.496 475 I N 0.650 121.206 120.570 -0.024 0.000 2.226 475 I HA -0.336 3.834 4.170 -0.000 0.000 0.245 475 I C 2.406 178.288 176.117 -0.390 0.000 1.100 475 I CA 1.339 62.452 61.300 -0.311 0.000 1.374 475 I CB -0.912 36.986 38.000 -0.169 0.000 1.057 475 I HN -0.091 nan 8.210 nan 0.000 0.413 476 K N 1.104 121.303 120.400 -0.335 0.000 2.113 476 K HA -0.140 4.180 4.320 -0.000 0.000 0.208 476 K C 2.221 178.670 176.600 -0.251 0.000 1.047 476 K CA 1.664 57.780 56.287 -0.285 0.000 0.928 476 K CB -0.591 31.729 32.500 -0.301 0.000 0.716 476 K HN 0.354 nan 8.250 nan 0.000 0.446 477 S N 0.403 115.913 115.700 -0.317 0.000 2.395 477 S HA -0.037 4.433 4.470 -0.000 0.000 0.225 477 S C 2.230 176.605 174.600 -0.375 0.000 1.027 477 S CA 0.798 58.819 58.200 -0.298 0.000 0.965 477 S CB -0.171 62.866 63.200 -0.272 0.000 0.812 477 S HN -0.013 nan 8.310 nan 0.000 0.482 478 V N 1.379 120.929 119.914 -0.607 0.000 2.488 478 V HA 0.057 4.177 4.120 -0.000 0.000 0.246 478 V C 0.380 176.237 176.094 -0.395 0.000 1.046 478 V CA 1.251 63.182 62.300 -0.616 0.000 1.053 478 V CB -0.258 30.876 31.823 -1.148 0.000 0.679 478 V HN 0.394 nan 8.190 nan 0.000 0.458 479 D N -0.884 119.321 120.400 -0.326 0.000 2.336 479 D HA 0.264 4.904 4.640 -0.000 0.000 0.248 479 D C -2.239 174.042 176.300 -0.031 0.000 1.326 479 D CA -1.654 52.271 54.000 -0.125 0.000 0.973 479 D CB 1.903 42.710 40.800 0.013 0.000 1.255 479 D HN 0.070 nan 8.370 nan 0.000 0.558 480 P HA 0.003 nan 4.420 nan 0.000 0.240 480 P C 1.201 178.518 177.300 0.028 0.000 1.190 480 P CA 0.286 63.375 63.100 -0.019 0.000 0.781 480 P CB 0.287 31.967 31.700 -0.034 0.000 0.931 481 S N -0.603 115.125 115.700 0.047 0.000 2.481 481 S HA -0.004 4.466 4.470 -0.000 0.000 0.231 481 S C 0.889 175.519 174.600 0.049 0.000 0.996 481 S CA 0.101 58.333 58.200 0.053 0.000 0.942 481 S CB -0.435 62.791 63.200 0.043 0.000 0.768 481 S HN 0.088 nan 8.310 nan 0.000 0.520 482 R N 0.825 121.373 120.500 0.082 0.000 2.725 482 R HA 0.599 4.939 4.340 -0.000 0.000 0.277 482 R C -3.210 173.155 176.300 0.109 0.000 0.987 482 R CA -2.321 53.800 56.100 0.035 0.000 0.901 482 R CB 1.439 31.652 30.300 -0.146 0.000 1.207 482 R HN 0.142 nan 8.270 nan 0.000 0.463 483 P HA 0.218 nan 4.420 nan 0.000 0.276 483 P C -0.820 176.582 177.300 0.170 0.000 1.244 483 P CA -0.525 62.638 63.100 0.105 0.000 0.801 483 P CB 0.865 32.610 31.700 0.075 0.000 1.006 484 V N 2.133 122.171 119.914 0.207 0.000 2.555 484 V HA 0.450 4.570 4.120 -0.000 0.000 0.302 484 V C 0.169 176.441 176.094 0.297 0.000 1.038 484 V CA -0.388 62.081 62.300 0.282 0.000 0.887 484 V CB 1.376 33.350 31.823 0.252 0.000 0.991 484 V HN 0.652 nan 8.190 nan 0.000 0.434 485 Q N 3.434 123.395 119.800 0.268 0.000 2.451 485 Q HA 0.820 5.160 4.340 -0.000 0.000 0.281 485 Q C -1.798 174.365 176.000 0.271 0.000 1.099 485 Q CA -0.980 54.952 55.803 0.215 0.000 0.806 485 Q CB 2.955 31.766 28.738 0.121 0.000 1.419 485 Q HN 0.651 nan 8.270 nan 0.000 0.427 486 Y N 0.128 120.447 120.300 0.032 0.000 2.357 486 Y HA 0.145 4.695 4.550 -0.000 0.000 0.319 486 Y C -0.444 175.408 175.900 -0.080 0.000 1.225 486 Y CA -0.634 57.454 58.100 -0.020 0.000 1.095 486 Y CB 2.015 40.457 38.460 -0.030 0.000 1.302 486 Y HN 0.958 nan 8.280 nan 0.000 0.429 487 E N 3.554 123.281 120.200 -0.788 0.000 2.250 487 E HA 0.113 4.463 4.350 -0.000 0.000 0.192 487 E C 0.749 176.918 176.600 -0.718 0.000 0.986 487 E CA 0.800 56.839 56.400 -0.602 0.000 0.849 487 E CB 0.187 29.649 29.700 -0.397 0.000 0.797 487 E HN 0.900 nan 8.360 nan 0.000 0.482 488 G N 0.001 107.973 108.800 -1.380 0.000 2.464 488 G HA2 0.174 4.134 3.960 -0.000 0.000 0.231 488 G HA3 0.174 4.134 3.960 -0.000 0.000 0.231 488 G C 0.790 175.552 174.900 -0.229 0.000 1.267 488 G CA 0.371 45.061 45.100 -0.684 0.000 0.863 488 G HN 0.383 nan 8.290 nan 0.000 0.559 489 G N -0.360 108.404 108.800 -0.060 0.000 2.221 489 G HA2 0.233 4.193 3.960 -0.000 0.000 0.265 489 G HA3 0.233 4.193 3.960 -0.000 0.000 0.265 489 G C 1.291 176.188 174.900 -0.004 0.000 1.041 489 G CA 1.002 46.122 45.100 0.033 0.000 0.807 489 G HN 2.635 nan 8.290 nan 0.000 0.502 490 G N -1.664 107.130 108.800 -0.010 0.000 2.229 490 G HA2 0.410 4.370 3.960 -0.000 0.000 0.189 490 G HA3 0.410 4.370 3.960 -0.000 0.000 0.189 490 G C 1.103 176.102 174.900 0.164 0.000 1.000 490 G CA 1.307 46.457 45.100 0.082 0.000 0.663 490 G HN 2.356 nan 8.290 nan 0.000 0.493 491 A N -0.220 122.592 122.820 -0.013 0.000 3.413 491 A HA -0.108 4.212 4.320 -0.000 0.000 0.268 491 A C 1.104 178.648 177.584 -0.065 0.000 1.128 491 A CA 2.658 54.640 52.037 -0.091 0.000 1.062 491 A CB -1.804 17.107 19.000 -0.149 0.000 1.121 491 A HN 2.108 nan 8.150 nan 0.000 0.895 492 D N -1.162 119.266 120.400 0.047 0.000 2.636 492 D HA 0.294 4.934 4.640 -0.000 0.000 0.270 492 D C 0.460 176.756 176.300 -0.008 0.000 1.430 492 D CA 0.825 54.863 54.000 0.063 0.000 0.796 492 D CB -1.159 39.820 40.800 0.298 0.000 1.117 492 D HN 0.839 nan 8.370 nan 0.000 0.480 493 T N -2.659 111.824 114.554 -0.118 0.000 2.698 493 T HA 0.128 4.478 4.350 -0.000 0.000 0.295 493 T C 1.624 176.197 174.700 -0.212 0.000 1.007 493 T CA 0.565 62.524 62.100 -0.236 0.000 0.980 493 T CB 1.090 69.607 68.868 -0.586 0.000 1.036 493 T HN 0.056 nan 8.240 nan 0.000 0.526 494 T N -1.574 112.840 114.554 -0.233 0.000 3.007 494 T HA 0.039 4.389 4.350 -0.000 0.000 0.270 494 T C 1.714 176.148 174.700 -0.443 0.000 1.107 494 T CA 0.879 62.850 62.100 -0.215 0.000 1.118 494 T CB -0.893 67.919 68.868 -0.093 0.000 0.889 494 T HN 0.845 nan 8.240 nan 0.000 0.506 495 A N 0.111 122.702 122.820 -0.381 0.000 2.337 495 A HA 0.451 4.771 4.320 -0.000 0.000 0.227 495 A C 1.010 178.405 177.584 -0.315 0.000 1.259 495 A CA 0.116 51.873 52.037 -0.467 0.000 0.870 495 A CB -0.221 18.776 19.000 -0.005 0.000 0.927 495 A HN 0.504 nan 8.150 nan 0.000 0.497 496 T N -1.692 112.718 114.554 -0.241 0.000 2.912 496 T HA 0.390 4.740 4.350 -0.000 0.000 0.299 496 T C -0.545 174.185 174.700 0.050 0.000 1.052 496 T CA -0.469 61.638 62.100 0.011 0.000 0.996 496 T CB 1.351 70.225 68.868 0.011 0.000 1.070 496 T HN 0.071 nan 8.240 nan 0.000 0.465 497 D N 2.536 123.044 120.400 0.179 0.000 2.348 497 D HA 0.305 4.945 4.640 -0.000 0.000 0.211 497 D C 0.278 176.615 176.300 0.062 0.000 0.998 497 D CA 0.673 54.763 54.000 0.150 0.000 0.873 497 D CB 0.396 41.312 40.800 0.193 0.000 0.925 497 D HN 0.525 nan 8.370 nan 0.000 0.524 498 I N 0.602 121.189 120.570 0.030 0.000 2.686 498 I HA 0.262 4.432 4.170 -0.000 0.000 0.295 498 I C -0.381 175.682 176.117 -0.091 0.000 1.114 498 I CA -0.947 60.336 61.300 -0.029 0.000 1.038 498 I CB 2.977 40.967 38.000 -0.016 0.000 1.238 498 I HN -0.358 nan 8.210 nan 0.000 0.420 499 I N 5.158 125.630 120.570 -0.163 0.000 2.436 499 I HA 0.096 4.266 4.170 -0.000 0.000 0.289 499 I C -0.002 175.923 176.117 -0.319 0.000 1.083 499 I CA -0.054 61.065 61.300 -0.303 0.000 1.372 499 I CB 0.163 37.888 38.000 -0.459 0.000 1.408 499 I HN 0.633 nan 8.210 nan 0.000 0.516 500 C N 5.492 124.619 119.300 -0.288 0.000 3.414 500 C HA 0.486 4.946 4.460 -0.000 0.000 0.208 500 C C -2.224 172.627 174.990 -0.231 0.000 1.422 500 C CA -2.273 56.616 59.018 -0.215 0.000 1.437 500 C CB -0.922 26.749 27.740 -0.114 0.000 1.850 500 C HN 0.399 nan 8.230 nan 0.000 0.481 501 P HA 0.372 nan 4.420 nan 0.000 0.274 501 P C -0.464 176.762 177.300 -0.124 0.000 1.256 501 P CA 0.073 63.050 63.100 -0.206 0.000 0.795 501 P CB 0.726 32.281 31.700 -0.242 0.000 1.038 502 M N -0.162 119.393 119.600 -0.075 0.000 2.181 502 M HA 0.462 4.942 4.480 -0.000 0.000 0.323 502 M C -0.943 175.332 176.300 -0.042 0.000 1.004 502 M CA -0.599 54.576 55.300 -0.210 0.000 0.941 502 M CB 1.277 33.728 32.600 -0.249 0.000 1.579 502 M HN 0.348 nan 8.290 nan 0.000 0.427 503 Y N -0.114 120.325 120.300 0.232 0.000 4.490 503 Y HA -0.214 4.336 4.550 -0.000 0.000 0.233 503 Y C 0.478 176.525 175.900 0.245 0.000 1.101 503 Y CA 0.427 58.669 58.100 0.235 0.000 2.010 503 Y CB -2.257 36.312 38.460 0.181 0.000 1.622 503 Y HN 0.988 nan 8.280 nan 0.000 0.675 504 A N 1.270 124.288 122.820 0.330 0.000 2.425 504 A HA 0.580 4.900 4.320 -0.000 0.000 0.249 504 A C 0.706 178.485 177.584 0.324 0.000 1.084 504 A CA -0.476 51.757 52.037 0.327 0.000 0.781 504 A CB 0.394 19.613 19.000 0.364 0.000 1.019 504 A HN 0.398 nan 8.150 nan 0.000 0.490 505 R N 1.568 122.195 120.500 0.212 0.000 2.577 505 R HA 0.300 4.640 4.340 -0.000 0.000 0.269 505 R C 0.980 177.251 176.300 -0.048 0.000 1.084 505 R CA -0.732 55.428 56.100 0.101 0.000 1.163 505 R CB 0.579 30.914 30.300 0.058 0.000 1.100 505 R HN 0.480 nan 8.270 nan 0.000 0.547 506 V N 0.863 120.597 119.914 -0.300 0.000 2.261 506 V HA -0.228 3.892 4.120 -0.000 0.000 0.246 506 V C 1.028 177.001 176.094 -0.201 0.000 1.047 506 V CA 1.935 64.004 62.300 -0.384 0.000 1.015 506 V CB -0.244 31.238 31.823 -0.568 0.000 0.642 506 V HN 0.780 nan 8.190 nan 0.000 0.446 507 D N -0.969 119.346 120.400 -0.141 0.000 2.474 507 D HA 0.107 4.747 4.640 -0.000 0.000 0.213 507 D C 0.625 176.906 176.300 -0.032 0.000 1.120 507 D CA 0.070 54.022 54.000 -0.080 0.000 0.836 507 D CB 0.595 41.352 40.800 -0.071 0.000 1.019 507 D HN 0.690 nan 8.370 nan 0.000 0.507 508 E N 1.187 121.376 120.200 -0.019 0.000 2.191 508 E HA 0.367 4.717 4.350 -0.000 0.000 0.274 508 E C -0.856 175.749 176.600 0.009 0.000 0.948 508 E CA -0.773 55.625 56.400 -0.004 0.000 0.802 508 E CB 1.617 31.311 29.700 -0.010 0.000 1.137 508 E HN -0.295 nan 8.360 nan 0.000 0.397 509 D N 2.343 122.744 120.400 0.003 0.000 2.225 509 D HA 0.149 4.789 4.640 -0.000 0.000 0.249 509 D C -0.608 175.590 176.300 -0.171 0.000 1.052 509 D CA -0.217 53.774 54.000 -0.014 0.000 0.909 509 D CB 1.356 42.214 40.800 0.097 0.000 1.186 509 D HN 0.407 nan 8.370 nan 0.000 0.431 510 Q N 1.577 121.162 119.800 -0.358 0.000 2.558 510 Q HA 0.267 4.607 4.340 -0.000 0.000 0.252 510 Q C -2.287 173.038 176.000 -1.126 0.000 1.015 510 Q CA -1.594 53.788 55.803 -0.701 0.000 0.720 510 Q CB 2.453 30.816 28.738 -0.624 0.000 1.215 510 Q HN 0.133 nan 8.270 nan 0.000 0.500 511 P HA 0.067 nan 4.420 nan 0.000 0.214 511 P C -0.782 176.170 177.300 -0.581 0.000 1.826 511 P CA -0.154 62.508 63.100 -0.730 0.000 0.977 511 P CB -0.544 30.933 31.700 -0.372 0.000 1.930 512 F N 2.296 122.098 119.950 -0.247 0.000 2.459 512 F HA 0.240 4.767 4.527 -0.000 0.000 0.346 512 F C -1.188 174.507 175.800 -0.176 0.000 1.128 512 F CA -2.603 55.297 58.000 -0.168 0.000 1.268 512 F CB -0.450 38.468 39.000 -0.136 0.000 1.161 512 F HN 0.046 nan 8.300 nan 0.000 0.583 513 P HA 0.064 nan 4.420 nan 0.000 0.268 513 P C 0.338 177.656 177.300 0.029 0.000 1.204 513 P CA 0.913 64.031 63.100 0.031 0.000 0.768 513 P CB 1.154 32.873 31.700 0.032 0.000 0.842 514 A N 3.020 125.843 122.820 0.005 0.000 3.292 514 A HA -0.247 4.073 4.320 -0.000 0.000 0.241 514 A C 0.687 178.271 177.584 -0.000 0.000 0.569 514 A CA 2.061 54.104 52.037 0.010 0.000 1.149 514 A CB -2.637 16.372 19.000 0.016 0.000 1.321 514 A HN 0.736 nan 8.150 nan 0.000 0.679 515 V N -3.725 116.190 119.914 0.001 0.000 2.703 515 V HA 0.542 4.662 4.120 -0.000 0.000 0.290 515 V C -2.641 173.456 176.094 0.004 0.000 1.035 515 V CA -1.102 61.197 62.300 -0.002 0.000 1.185 515 V CB 0.823 32.659 31.823 0.022 0.000 1.178 515 V HN 0.445 nan 8.190 nan 0.000 0.562 516 P HA 0.341 nan 4.420 nan 0.000 0.272 516 P C -0.711 176.118 177.300 -0.785 0.000 1.230 516 P CA 0.093 62.811 63.100 -0.636 0.000 0.788 516 P CB 0.989 31.917 31.700 -1.287 0.000 0.949 517 K N 1.919 121.877 120.400 -0.736 0.000 2.464 517 K HA 0.234 4.554 4.320 -0.000 0.000 0.252 517 K C -0.516 175.790 176.600 -0.490 0.000 1.000 517 K CA -0.263 55.784 56.287 -0.399 0.000 0.951 517 K CB 0.698 33.254 32.500 0.093 0.000 1.183 517 K HN 0.488 nan 8.250 nan 0.000 0.445 518 W N 1.584 122.623 121.300 -0.435 0.000 2.126 518 W HA 0.046 4.706 4.660 -0.000 0.000 0.346 518 W C 1.346 177.892 176.519 0.045 0.000 1.279 518 W CA -0.672 56.506 57.345 -0.278 0.000 1.259 518 W CB 0.532 29.669 29.460 -0.540 0.000 1.133 518 W HN 0.441 nan 8.180 nan 0.000 0.592 519 S N 3.202 119.071 115.700 0.282 0.000 2.558 519 S HA -0.077 4.393 4.470 -0.000 0.000 0.288 519 S C 1.082 175.831 174.600 0.249 0.000 1.318 519 S CA -0.210 58.094 58.200 0.172 0.000 1.056 519 S CB 0.286 63.519 63.200 0.055 0.000 0.853 519 S HN 0.554 nan 8.310 nan 0.000 0.505 520 I N 1.104 121.777 120.570 0.171 0.000 2.454 520 I HA -0.160 4.010 4.170 -0.000 0.000 0.254 520 I C 1.855 177.988 176.117 0.027 0.000 1.156 520 I CA 1.111 62.511 61.300 0.166 0.000 1.433 520 I CB -0.573 37.457 38.000 0.051 0.000 1.082 520 I HN 0.663 nan 8.210 nan 0.000 0.432 521 K N 2.136 122.456 120.400 -0.132 0.000 2.097 521 K HA -0.173 4.147 4.320 -0.000 0.000 0.205 521 K C 2.152 178.729 176.600 -0.039 0.000 1.050 521 K CA 1.606 57.739 56.287 -0.258 0.000 0.938 521 K CB -0.338 31.897 32.500 -0.442 0.000 0.718 521 K HN 0.440 nan 8.250 nan 0.000 0.442 522 K N 0.698 121.102 120.400 0.007 0.000 2.103 522 K HA -0.150 4.170 4.320 -0.000 0.000 0.204 522 K C 1.924 178.525 176.600 0.002 0.000 1.052 522 K CA 0.677 56.950 56.287 -0.023 0.000 0.945 522 K CB -0.090 32.366 32.500 -0.073 0.000 0.722 522 K HN 0.195 nan 8.250 nan 0.000 0.443 523 W N 2.040 123.299 121.300 -0.068 0.000 2.321 523 W HA -0.207 4.453 4.660 -0.000 0.000 0.306 523 W C 1.550 178.028 176.519 -0.068 0.000 1.217 523 W CA 1.294 58.608 57.345 -0.051 0.000 1.257 523 W CB -0.576 28.955 29.460 0.117 0.000 1.145 523 W HN 0.119 nan 8.180 nan 0.000 0.509 524 L N 0.853 122.218 121.223 0.237 0.000 2.127 524 L HA -0.254 4.085 4.340 -0.000 0.000 0.211 524 L C 2.565 179.487 176.870 0.087 0.000 1.089 524 L CA 1.911 56.831 54.840 0.133 0.000 0.757 524 L CB -0.991 41.125 42.059 0.095 0.000 0.899 524 L HN -0.004 nan 8.230 nan 0.000 0.434 525 S N -0.954 114.774 115.700 0.047 0.000 2.558 525 S HA 0.108 4.578 4.470 -0.000 0.000 0.217 525 S C 0.825 175.396 174.600 -0.048 0.000 0.975 525 S CA -0.407 57.793 58.200 0.001 0.000 0.912 525 S CB -0.463 62.733 63.200 -0.008 0.000 0.776 525 S HN 0.205 nan 8.310 nan 0.000 0.526 526 L N 2.520 123.697 121.223 -0.076 0.000 2.543 526 L HA 0.195 4.535 4.340 -0.000 0.000 0.285 526 L C -2.227 174.606 176.870 -0.062 0.000 1.236 526 L CA -1.543 53.216 54.840 -0.134 0.000 0.871 526 L CB -0.417 41.526 42.059 -0.192 0.000 1.121 526 L HN 0.065 nan 8.230 nan 0.000 0.501 527 P HA -0.010 nan 4.420 nan 0.000 0.260 527 P C 0.840 178.129 177.300 -0.019 0.000 1.185 527 P CA 0.928 64.002 63.100 -0.044 0.000 0.763 527 P CB 0.628 32.297 31.700 -0.051 0.000 0.776 528 G N 2.068 110.864 108.800 -0.006 0.000 2.225 528 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.254 528 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.254 528 G C 0.242 175.155 174.900 0.022 0.000 0.988 528 G CA 0.074 45.178 45.100 0.008 0.000 0.625 528 G HN 0.626 nan 8.290 nan 0.000 0.527 529 E N 1.242 121.459 120.200 0.030 0.000 2.344 529 E HA 0.556 4.906 4.350 -0.000 0.000 0.270 529 E C 1.420 178.043 176.600 0.038 0.000 1.021 529 E CA 0.831 57.263 56.400 0.053 0.000 0.887 529 E CB 0.769 30.529 29.700 0.101 0.000 0.997 529 E HN 0.577 nan 8.360 nan 0.000 0.429 530 T N 0.750 115.324 114.554 0.033 0.000 3.009 530 T HA 0.312 4.662 4.350 -0.000 0.000 0.267 530 T C 0.626 175.334 174.700 0.014 0.000 0.942 530 T CA -0.429 61.684 62.100 0.022 0.000 0.883 530 T CB 0.091 68.972 68.868 0.020 0.000 1.192 530 T HN 0.265 nan 8.240 nan 0.000 0.524 531 R N 2.270 122.776 120.500 0.009 0.000 2.707 531 R HA 0.436 4.776 4.340 -0.000 0.000 0.270 531 R C -2.522 173.759 176.300 -0.031 0.000 1.083 531 R CA -1.590 54.505 56.100 -0.009 0.000 1.182 531 R CB -0.000 30.289 30.300 -0.018 0.000 1.084 531 R HN 0.254 nan 8.270 nan 0.000 0.528 532 P HA 0.168 nan 4.420 nan 0.000 0.278 532 P C -1.152 176.079 177.300 -0.115 0.000 1.258 532 P CA -0.280 62.779 63.100 -0.069 0.000 0.811 532 P CB 0.737 32.396 31.700 -0.068 0.000 1.063 533 L N 1.970 123.105 121.223 -0.148 0.000 2.381 533 L HA 0.611 4.951 4.340 -0.000 0.000 0.274 533 L C -1.236 175.496 176.870 -0.231 0.000 0.988 533 L CA -0.685 54.029 54.840 -0.210 0.000 0.824 533 L CB 0.854 42.773 42.059 -0.234 0.000 1.263 533 L HN 0.228 nan 8.230 nan 0.000 0.410 534 I N 5.332 125.769 120.570 -0.222 0.000 2.512 534 I HA 0.280 4.450 4.170 -0.000 0.000 0.287 534 I C -0.906 175.111 176.117 -0.167 0.000 1.069 534 I CA -0.539 60.620 61.300 -0.235 0.000 1.056 534 I CB 2.097 40.005 38.000 -0.153 0.000 1.229 534 I HN 0.463 nan 8.210 nan 0.000 0.429 535 L N 5.561 126.657 121.223 -0.211 0.000 2.367 535 L HA 0.117 4.457 4.340 -0.000 0.000 0.275 535 L C 1.382 178.316 176.870 0.105 0.000 1.129 535 L CA -0.214 54.566 54.840 -0.100 0.000 0.839 535 L CB 0.766 42.746 42.059 -0.132 0.000 1.133 535 L HN 0.862 nan 8.230 nan 0.000 0.453 536 C N 0.024 119.366 119.300 0.071 0.000 2.464 536 C HA 0.174 4.634 4.460 -0.000 0.000 0.278 536 C C 0.680 175.784 174.990 0.191 0.000 1.375 536 C CA -0.146 58.957 59.018 0.141 0.000 1.761 536 C CB -0.963 26.776 27.740 -0.000 0.000 1.944 536 C HN 0.843 nan 8.230 nan 0.000 0.509 537 E N -0.901 119.333 120.200 0.056 0.000 2.304 537 E HA 0.635 4.985 4.350 -0.000 0.000 0.277 537 E C -1.272 175.245 176.600 -0.139 0.000 0.898 537 E CA -0.398 55.998 56.400 -0.006 0.000 0.764 537 E CB 2.035 31.486 29.700 -0.415 0.000 1.216 537 E HN 0.645 nan 8.360 nan 0.000 0.419 538 Y N -0.386 119.872 120.300 -0.069 0.000 2.656 538 Y HA 0.630 5.180 4.550 -0.000 0.000 0.334 538 Y C -0.734 175.324 175.900 0.262 0.000 1.179 538 Y CA -0.892 57.204 58.100 -0.007 0.000 1.050 538 Y CB 0.978 39.311 38.460 -0.211 0.000 1.308 538 Y HN 0.660 nan 8.280 nan 0.000 0.456 539 A N 2.228 125.103 122.820 0.092 0.000 2.303 539 A HA -0.273 4.047 4.320 -0.000 0.000 0.286 539 A C -0.247 177.453 177.584 0.194 0.000 1.429 539 A CA 1.075 53.154 52.037 0.070 0.000 0.738 539 A CB -2.498 16.421 19.000 -0.135 0.000 1.149 539 A HN 1.114 nan 8.150 nan 0.000 0.364 540 H N 0.553 119.765 119.070 0.238 0.000 3.257 540 H HA 0.159 4.715 4.556 -0.000 0.000 0.256 540 H C 1.267 176.638 175.328 0.072 0.000 0.885 540 H CA 0.801 56.983 56.048 0.223 0.000 1.406 540 H CB 0.386 30.155 29.762 0.012 0.000 1.506 540 H HN 0.840 nan 8.280 nan 0.000 0.527 541 A N 6.454 129.145 122.820 -0.214 0.000 2.416 541 A HA 0.030 4.350 4.320 -0.000 0.000 0.252 541 A C 0.982 178.387 177.584 -0.299 0.000 1.353 541 A CA -0.342 51.549 52.037 -0.242 0.000 0.996 541 A CB -0.536 18.316 19.000 -0.246 0.000 0.961 541 A HN 0.791 nan 8.150 nan 0.000 0.523 542 M N 1.314 120.702 119.600 -0.353 0.000 2.220 542 M HA 0.425 4.905 4.480 -0.000 0.000 0.343 542 M C 0.982 177.141 176.300 -0.235 0.000 1.470 542 M CA 1.241 56.369 55.300 -0.286 0.000 1.161 542 M CB -0.374 32.088 32.600 -0.230 0.000 1.737 542 M HN 0.771 nan 8.290 nan 0.000 0.464 543 G N 4.507 113.159 108.800 -0.248 0.000 2.550 543 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.277 543 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.277 543 G C -0.187 174.284 174.900 -0.715 0.000 1.190 543 G CA 0.069 44.887 45.100 -0.470 0.000 0.971 543 G HN 0.826 nan 8.290 nan 0.000 0.559 544 N N 1.498 119.602 118.700 -0.993 0.000 2.466 544 N HA 0.507 5.247 4.740 -0.000 0.000 0.263 544 N C 0.022 175.283 175.510 -0.415 0.000 1.178 544 N CA 1.111 53.698 53.050 -0.770 0.000 0.983 544 N CB 0.423 38.463 38.487 -0.745 0.000 1.331 544 N HN 0.747 nan 8.380 nan 0.000 0.500 545 S N 1.701 117.236 115.700 -0.275 0.000 3.144 545 S HA 0.580 5.050 4.470 -0.000 0.000 0.325 545 S C -0.110 174.413 174.600 -0.127 0.000 1.161 545 S CA -0.388 57.702 58.200 -0.184 0.000 0.920 545 S CB 0.164 63.274 63.200 -0.150 0.000 1.340 545 S HN 0.377 nan 8.310 nan 0.000 0.681 546 L N 0.207 121.383 121.223 -0.078 0.000 4.613 546 L HA -0.070 4.270 4.340 -0.000 0.000 0.409 546 L C 0.451 177.349 176.870 0.046 0.000 1.100 546 L CA 0.915 55.731 54.840 -0.040 0.000 1.029 546 L CB -1.729 40.226 42.059 -0.174 0.000 2.137 546 L HN 0.694 nan 8.230 nan 0.000 0.713 547 G N -0.759 108.041 108.800 -0.000 0.000 2.343 547 G HA2 0.486 4.446 3.960 -0.000 0.000 0.254 547 G HA3 0.486 4.446 3.960 -0.000 0.000 0.254 547 G C 1.214 176.157 174.900 0.071 0.000 1.277 547 G CA 0.192 45.276 45.100 -0.025 0.000 0.909 547 G HN 1.381 nan 8.290 nan 0.000 0.502 548 G N 1.875 110.730 108.800 0.091 0.000 2.179 548 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.220 548 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.220 548 G C 1.026 176.127 174.900 0.336 0.000 0.990 548 G CA 0.642 45.847 45.100 0.176 0.000 0.646 548 G HN 0.735 nan 8.290 nan 0.000 0.517 549 F N 2.070 122.150 119.950 0.216 0.000 2.087 549 F HA 0.014 4.541 4.527 -0.000 0.000 0.299 549 F C 2.740 178.772 175.800 0.387 0.000 1.100 549 F CA 2.855 61.052 58.000 0.328 0.000 1.226 549 F CB -0.532 38.587 39.000 0.199 0.000 0.983 549 F HN 0.382 nan 8.300 nan 0.000 0.479 550 A N -0.194 122.786 122.820 0.266 0.000 1.978 550 A HA -0.226 4.094 4.320 -0.000 0.000 0.220 550 A C 2.312 179.909 177.584 0.021 0.000 1.170 550 A CA 1.720 53.841 52.037 0.141 0.000 0.636 550 A CB -0.692 18.397 19.000 0.149 0.000 0.810 550 A HN 0.421 nan 8.150 nan 0.000 0.448 551 K N -1.389 119.008 120.400 -0.006 0.000 2.044 551 K HA -0.215 4.105 4.320 -0.000 0.000 0.210 551 K C 1.844 178.203 176.600 -0.401 0.000 1.049 551 K CA 2.048 58.238 56.287 -0.162 0.000 0.927 551 K CB -0.434 31.948 32.500 -0.196 0.000 0.713 551 K HN 0.665 nan 8.250 nan 0.000 0.443 552 Y N -0.518 119.493 120.300 -0.482 0.000 2.097 552 Y HA -0.278 4.272 4.550 -0.000 0.000 0.282 552 Y C 2.296 177.186 175.900 -1.684 0.000 1.152 552 Y CA 1.542 58.978 58.100 -1.106 0.000 1.136 552 Y CB -0.577 37.243 38.460 -1.066 0.000 0.975 552 Y HN 0.183 nan 8.280 nan 0.000 0.498 553 W N 0.366 121.227 121.300 -0.731 0.000 2.338 553 W HA -0.254 4.406 4.660 -0.000 0.000 0.304 553 W C 2.713 179.044 176.519 -0.314 0.000 1.212 553 W CA 2.042 59.090 57.345 -0.495 0.000 1.264 553 W CB -0.741 28.516 29.460 -0.339 0.000 1.142 553 W HN 0.153 nan 8.180 nan 0.000 0.512 554 Q N 0.202 119.894 119.800 -0.181 0.000 2.079 554 Q HA -0.186 4.154 4.340 -0.000 0.000 0.200 554 Q C 2.275 178.197 176.000 -0.130 0.000 0.974 554 Q CA 1.929 57.672 55.803 -0.100 0.000 0.840 554 Q CB -0.397 28.299 28.738 -0.070 0.000 0.898 554 Q HN 0.228 nan 8.270 nan 0.000 0.430 555 A N 0.360 123.003 122.820 -0.294 0.000 1.902 555 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 555 A C 1.864 179.404 177.584 -0.074 0.000 1.181 555 A CA 1.125 53.034 52.037 -0.214 0.000 0.623 555 A CB -1.071 17.675 19.000 -0.422 0.000 0.818 555 A HN 0.535 nan 8.150 nan 0.000 0.443 556 F N -0.297 119.468 119.950 -0.308 0.000 2.120 556 F HA -0.242 4.285 4.527 -0.000 0.000 0.300 556 F C 2.757 178.452 175.800 -0.175 0.000 1.095 556 F CA 1.229 59.017 58.000 -0.353 0.000 1.249 556 F CB -0.191 38.395 39.000 -0.690 0.000 0.995 556 F HN 0.157 nan 8.300 nan 0.000 0.480 557 R N 0.036 120.589 120.500 0.089 0.000 2.148 557 R HA -0.182 4.157 4.340 -0.000 0.000 0.227 557 R C 2.067 178.400 176.300 0.054 0.000 1.103 557 R CA 1.283 57.421 56.100 0.064 0.000 0.983 557 R CB -0.382 29.951 30.300 0.055 0.000 0.874 557 R HN 0.429 nan 8.270 nan 0.000 0.451 558 Q N -0.418 119.443 119.800 0.103 0.000 2.376 558 Q HA -0.016 4.324 4.340 -0.000 0.000 0.206 558 Q C -0.583 175.441 176.000 0.040 0.000 0.921 558 Q CA 0.534 56.381 55.803 0.074 0.000 0.911 558 Q CB 0.534 29.332 28.738 0.100 0.000 1.032 558 Q HN 0.177 nan 8.270 nan 0.000 0.510 559 Y N 0.333 120.609 120.300 -0.040 0.000 2.334 559 Y HA 0.312 4.862 4.550 -0.000 0.000 0.336 559 Y C -1.806 174.064 175.900 -0.049 0.000 0.960 559 Y CA -2.914 55.163 58.100 -0.039 0.000 1.164 559 Y CB 1.506 39.945 38.460 -0.034 0.000 1.155 559 Y HN 0.072 nan 8.280 nan 0.000 0.478 560 P HA -0.221 nan 4.420 nan 0.000 0.215 560 P C 1.264 178.563 177.300 -0.001 0.000 1.163 560 P CA 1.885 64.987 63.100 0.004 0.000 0.894 560 P CB 0.335 32.022 31.700 -0.021 0.000 0.791 561 R N -1.097 119.420 120.500 0.028 0.000 2.316 561 R HA 0.065 4.405 4.340 -0.000 0.000 0.202 561 R C 0.542 176.818 176.300 -0.039 0.000 1.029 561 R CA 0.241 56.339 56.100 -0.003 0.000 1.018 561 R CB -0.554 29.755 30.300 0.015 0.000 0.888 561 R HN 0.289 nan 8.270 nan 0.000 0.471 562 L N 2.038 123.253 121.223 -0.015 0.000 2.282 562 L HA 0.131 4.471 4.340 -0.000 0.000 0.287 562 L C 0.682 177.413 176.870 -0.232 0.000 1.075 562 L CA 0.107 54.892 54.840 -0.090 0.000 0.839 562 L CB 1.184 43.259 42.059 0.026 0.000 1.219 562 L HN 0.023 nan 8.230 nan 0.000 0.434 563 Q N 2.880 122.475 119.800 -0.342 0.000 2.201 563 Q HA 0.332 4.672 4.340 -0.000 0.000 0.217 563 Q C 0.844 176.439 176.000 -0.675 0.000 0.860 563 Q CA 0.100 55.658 55.803 -0.409 0.000 0.984 563 Q CB 0.979 29.565 28.738 -0.254 0.000 1.095 563 Q HN 0.941 nan 8.270 nan 0.000 0.477 564 G N -0.291 107.751 108.800 -1.264 0.000 2.416 564 G HA2 0.143 4.103 3.960 -0.000 0.000 0.203 564 G HA3 0.143 4.103 3.960 -0.000 0.000 0.203 564 G C -0.338 173.804 174.900 -1.263 0.000 1.227 564 G CA -0.741 43.301 45.100 -1.764 0.000 1.041 564 G HN 0.582 nan 8.290 nan 0.000 0.546 565 G N -2.234 106.048 108.800 -0.863 0.000 2.342 565 G HA2 0.655 4.615 3.960 -0.000 0.000 0.297 565 G HA3 0.655 4.615 3.960 -0.000 0.000 0.297 565 G C -1.873 172.899 174.900 -0.214 0.000 1.313 565 G CA -0.324 44.478 45.100 -0.497 0.000 0.830 565 G HN 1.132 nan 8.290 nan 0.000 0.506 566 F N 0.490 120.666 119.950 0.376 0.000 2.449 566 F HA 0.543 5.070 4.527 -0.000 0.000 0.342 566 F C 0.675 176.751 175.800 0.460 0.000 1.127 566 F CA -0.774 57.471 58.000 0.408 0.000 0.975 566 F CB 2.236 41.374 39.000 0.230 0.000 1.146 566 F HN 0.253 nan 8.300 nan 0.000 0.444 567 V N 3.172 123.380 119.914 0.490 0.000 2.811 567 V HA -0.051 4.069 4.120 -0.000 0.000 0.302 567 V C -0.403 175.839 176.094 0.247 0.000 1.063 567 V CA -0.440 61.959 62.300 0.166 0.000 1.088 567 V CB 1.012 32.907 31.823 0.119 0.000 0.982 567 V HN 0.764 nan 8.190 nan 0.000 0.485 568 W N 6.474 127.832 121.300 0.097 0.000 2.336 568 W HA 0.471 5.131 4.660 -0.000 0.000 0.315 568 W C -0.927 175.586 176.519 -0.010 0.000 1.016 568 W CA -0.627 56.800 57.345 0.136 0.000 1.318 568 W CB 1.380 31.054 29.460 0.357 0.000 1.247 568 W HN 0.901 nan 8.180 nan 0.000 0.414 569 D N 3.055 123.119 120.400 -0.560 0.000 2.752 569 D HA 0.071 4.711 4.640 -0.000 0.000 0.313 569 D C 0.664 176.727 176.300 -0.396 0.000 1.225 569 D CA -0.530 53.021 54.000 -0.749 0.000 0.976 569 D CB 0.306 40.033 40.800 -1.789 0.000 1.443 569 D HN 0.447 nan 8.370 nan 0.000 0.515 570 W N 0.726 121.696 121.300 -0.551 0.000 2.322 570 W HA -0.007 4.653 4.660 -0.000 0.000 0.326 570 W C -0.025 176.243 176.519 -0.418 0.000 1.224 570 W CA 1.515 58.591 57.345 -0.448 0.000 1.257 570 W CB 0.136 29.366 29.460 -0.383 0.000 1.174 570 W HN 0.216 nan 8.180 nan 0.000 0.460 571 V N 0.912 120.621 119.914 -0.343 0.000 2.769 571 V HA 0.273 4.393 4.120 -0.000 0.000 0.312 571 V C -0.499 175.384 176.094 -0.351 0.000 1.061 571 V CA -1.175 60.851 62.300 -0.457 0.000 0.931 571 V CB 1.385 33.060 31.823 -0.248 0.000 1.010 571 V HN -0.073 nan 8.190 nan 0.000 0.433 572 D N 2.053 122.261 120.400 -0.319 0.000 2.443 572 D HA 0.103 4.743 4.640 -0.000 0.000 0.239 572 D C 0.091 176.223 176.300 -0.280 0.000 1.136 572 D CA 0.366 54.226 54.000 -0.233 0.000 0.879 572 D CB 1.120 41.880 40.800 -0.066 0.000 1.195 572 D HN 0.630 nan 8.370 nan 0.000 0.443 573 Q N 0.980 120.561 119.800 -0.365 0.000 3.207 573 Q HA 0.151 4.491 4.340 -0.000 0.000 0.335 573 Q C -0.369 175.625 176.000 -0.010 0.000 1.374 573 Q CA -0.325 55.089 55.803 -0.649 0.000 1.023 573 Q CB 0.189 28.612 28.738 -0.526 0.000 1.576 573 Q HN 0.359 nan 8.270 nan 0.000 0.515 574 S N -0.008 115.795 115.700 0.172 0.000 2.549 574 S HA 0.689 5.159 4.470 -0.000 0.000 0.297 574 S C -0.246 174.549 174.600 0.325 0.000 1.115 574 S CA -0.834 57.574 58.200 0.347 0.000 1.059 574 S CB 1.644 65.008 63.200 0.273 0.000 1.046 574 S HN 0.312 nan 8.310 nan 0.000 0.506 575 L N 1.721 123.056 121.223 0.186 0.000 2.330 575 L HA 0.593 4.933 4.340 -0.000 0.000 0.271 575 L C -0.423 176.366 176.870 -0.136 0.000 1.013 575 L CA -1.098 53.713 54.840 -0.049 0.000 0.816 575 L CB 1.432 43.332 42.059 -0.265 0.000 1.287 575 L HN 0.626 nan 8.230 nan 0.000 0.435 576 I N 1.728 122.156 120.570 -0.236 0.000 2.472 576 I HA 0.253 4.423 4.170 -0.000 0.000 0.290 576 I C 0.056 175.792 176.117 -0.635 0.000 1.016 576 I CA 0.158 61.194 61.300 -0.441 0.000 1.348 576 I CB 0.889 38.649 38.000 -0.400 0.000 1.417 576 I HN 0.518 nan 8.210 nan 0.000 0.521 577 K N 4.304 124.022 120.400 -1.137 0.000 2.466 577 K HA 0.585 4.905 4.320 -0.000 0.000 0.260 577 K C -1.778 174.049 176.600 -1.287 0.000 1.011 577 K CA -0.872 54.698 56.287 -1.195 0.000 0.871 577 K CB 2.316 33.816 32.500 -1.665 0.000 1.404 577 K HN 0.245 nan 8.250 nan 0.000 0.450 578 Y N 0.339 120.432 120.300 -0.345 0.000 2.499 578 Y HA 0.198 4.748 4.550 -0.000 0.000 0.347 578 Y C -0.026 176.016 175.900 0.237 0.000 0.987 578 Y CA -1.228 56.864 58.100 -0.015 0.000 1.044 578 Y CB 1.226 39.678 38.460 -0.014 0.000 1.245 578 Y HN 0.640 nan 8.280 nan 0.000 0.461 579 D N -0.377 120.302 120.400 0.465 0.000 2.432 579 D HA 0.158 4.798 4.640 -0.000 0.000 0.258 579 D C 0.469 176.889 176.300 0.199 0.000 1.146 579 D CA -0.567 53.615 54.000 0.305 0.000 1.015 579 D CB 0.756 41.672 40.800 0.193 0.000 1.107 579 D HN 0.539 nan 8.370 nan 0.000 0.529 580 E N -0.022 120.249 120.200 0.117 0.000 2.130 580 E HA -0.213 4.137 4.350 -0.000 0.000 0.196 580 E C 0.783 177.421 176.600 0.063 0.000 0.998 580 E CA 1.366 57.808 56.400 0.069 0.000 0.806 580 E CB -0.666 29.057 29.700 0.038 0.000 0.738 580 E HN 0.427 nan 8.360 nan 0.000 0.459 581 N N 0.529 119.276 118.700 0.078 0.000 2.434 581 N HA 0.114 4.854 4.740 -0.000 0.000 0.196 581 N C 0.637 176.201 175.510 0.090 0.000 1.183 581 N CA 0.828 53.918 53.050 0.068 0.000 0.849 581 N CB 0.305 38.827 38.487 0.058 0.000 0.992 581 N HN 0.316 nan 8.380 nan 0.000 0.460 582 G N 0.723 109.594 108.800 0.118 0.000 2.273 582 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.280 582 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.280 582 G C -0.469 174.612 174.900 0.302 0.000 1.047 582 G CA -0.261 44.917 45.100 0.131 0.000 0.869 582 G HN 0.307 nan 8.290 nan 0.000 0.502 583 N N 1.023 119.920 118.700 0.329 0.000 2.421 583 N HA 0.489 5.229 4.740 -0.000 0.000 0.285 583 N C -2.465 173.222 175.510 0.294 0.000 1.027 583 N CA -1.484 51.745 53.050 0.298 0.000 0.918 583 N CB 2.118 40.722 38.487 0.196 0.000 1.152 583 N HN 0.129 nan 8.380 nan 0.000 0.485 584 P HA 0.298 nan 4.420 nan 0.000 0.279 584 P C -0.559 176.658 177.300 -0.139 0.000 1.239 584 P CA -0.315 62.505 63.100 -0.468 0.000 0.789 584 P CB 0.630 32.116 31.700 -0.356 0.000 0.933 585 W N -0.161 120.867 121.300 -0.454 0.000 3.213 585 W HA 0.382 5.042 4.660 -0.000 0.000 0.318 585 W C -1.492 174.841 176.519 -0.310 0.000 1.248 585 W CA -1.013 56.103 57.345 -0.381 0.000 1.187 585 W CB 0.263 29.362 29.460 -0.602 0.000 1.403 585 W HN 0.149 nan 8.180 nan 0.000 0.556 586 S N 1.894 117.662 115.700 0.114 0.000 2.481 586 S HA 0.556 5.026 4.470 -0.000 0.000 0.276 586 S C 0.198 174.980 174.600 0.303 0.000 1.247 586 S CA -0.244 58.026 58.200 0.117 0.000 1.053 586 S CB 0.973 64.278 63.200 0.175 0.000 0.925 586 S HN 0.664 nan 8.310 nan 0.000 0.491 587 A N 2.834 125.694 122.820 0.065 0.000 2.337 587 A HA 0.878 5.198 4.320 -0.000 0.000 0.331 587 A C -0.630 177.255 177.584 0.501 0.000 1.137 587 A CA -0.822 51.317 52.037 0.170 0.000 0.807 587 A CB 0.705 19.542 19.000 -0.271 0.000 1.250 587 A HN 0.870 nan 8.150 nan 0.000 0.468 588 Y N -0.762 119.894 120.300 0.594 0.000 2.965 588 Y HA 0.766 5.316 4.550 -0.000 0.000 0.310 588 Y C 0.620 176.900 175.900 0.633 0.000 1.480 588 Y CA -1.363 57.072 58.100 0.557 0.000 1.094 588 Y CB -0.019 38.591 38.460 0.250 0.000 1.377 588 Y HN 0.959 nan 8.280 nan 0.000 0.514 589 G N 0.014 109.212 108.800 0.665 0.000 2.224 589 G HA2 0.355 4.315 3.960 -0.000 0.000 0.239 589 G HA3 0.355 4.315 3.960 -0.000 0.000 0.239 589 G C 1.002 176.243 174.900 0.568 0.000 1.240 589 G CA 0.504 45.929 45.100 0.543 0.000 0.896 589 G HN 2.021 nan 8.290 nan 0.000 0.496 590 G N 2.278 111.382 108.800 0.508 0.000 2.234 590 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.260 590 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.260 590 G C 0.881 175.995 174.900 0.357 0.000 0.987 590 G CA 0.716 46.049 45.100 0.388 0.000 0.625 590 G HN 0.669 nan 8.290 nan 0.000 0.532 591 D N -0.360 120.288 120.400 0.413 0.000 2.392 591 D HA 0.146 4.786 4.640 -0.000 0.000 0.228 591 D C 1.248 177.407 176.300 -0.236 0.000 1.003 591 D CA 0.555 54.627 54.000 0.121 0.000 0.917 591 D CB -0.200 40.634 40.800 0.056 0.000 0.890 591 D HN 0.480 nan 8.370 nan 0.000 0.532 592 F N -1.067 118.998 119.950 0.190 0.000 2.735 592 F HA 0.313 4.840 4.527 -0.000 0.000 0.308 592 F C 1.739 177.622 175.800 0.137 0.000 1.112 592 F CA -0.295 57.781 58.000 0.127 0.000 1.235 592 F CB 0.599 39.669 39.000 0.116 0.000 1.027 592 F HN -0.070 nan 8.300 nan 0.000 0.528 593 G N 0.747 109.707 108.800 0.267 0.000 2.155 593 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.257 593 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.257 593 G C -0.141 174.902 174.900 0.238 0.000 0.983 593 G CA 0.305 45.529 45.100 0.207 0.000 0.676 593 G HN 0.431 nan 8.290 nan 0.000 0.528 594 D N 0.447 121.043 120.400 0.327 0.000 2.425 594 D HA 0.429 5.069 4.640 -0.000 0.000 0.247 594 D C 0.010 176.441 176.300 0.219 0.000 1.147 594 D CA 0.532 54.712 54.000 0.299 0.000 0.879 594 D CB 1.189 42.224 40.800 0.393 0.000 1.179 594 D HN 0.059 nan 8.370 nan 0.000 0.456 595 T N 2.331 116.985 114.554 0.166 0.000 2.952 595 T HA 0.482 4.832 4.350 -0.000 0.000 0.305 595 T C -2.360 172.384 174.700 0.073 0.000 1.064 595 T CA -0.949 61.215 62.100 0.107 0.000 1.008 595 T CB 1.975 70.900 68.868 0.095 0.000 1.078 595 T HN 0.382 nan 8.240 nan 0.000 0.459 596 P HA 0.531 nan 4.420 nan 0.000 0.281 596 P C -1.150 176.139 177.300 -0.018 0.000 1.281 596 P CA -0.725 62.376 63.100 0.001 0.000 0.811 596 P CB 0.788 32.462 31.700 -0.044 0.000 1.154 597 N N -1.164 117.524 118.700 -0.019 0.000 2.610 597 N HA 0.172 4.912 4.740 -0.000 0.000 0.264 597 N C -1.063 174.409 175.510 -0.064 0.000 1.348 597 N CA -0.533 52.492 53.050 -0.042 0.000 0.819 597 N CB 1.532 40.094 38.487 0.124 0.000 1.521 597 N HN 0.201 nan 8.380 nan 0.000 0.497 598 D N 0.011 120.350 120.400 -0.101 0.000 2.462 598 D HA 0.187 4.827 4.640 -0.000 0.000 0.221 598 D C 0.373 176.852 176.300 0.298 0.000 1.173 598 D CA -0.197 53.807 54.000 0.007 0.000 0.831 598 D CB 0.942 41.612 40.800 -0.215 0.000 1.001 598 D HN 0.552 nan 8.370 nan 0.000 0.499 599 R N 0.117 120.826 120.500 0.349 0.000 3.853 599 R HA -0.333 4.007 4.340 -0.000 0.000 0.440 599 R C 1.387 177.719 176.300 0.053 0.000 0.241 599 R CA 1.823 58.127 56.100 0.339 0.000 1.395 599 R CB -1.335 29.096 30.300 0.218 0.000 0.984 599 R HN 0.052 nan 8.270 nan 0.000 0.570 600 Q N 0.269 119.802 119.800 -0.445 0.000 2.291 600 Q HA -0.027 4.313 4.340 -0.000 0.000 0.206 600 Q C 1.716 177.535 176.000 -0.302 0.000 0.976 600 Q CA 1.655 57.070 55.803 -0.646 0.000 0.875 600 Q CB -0.258 28.044 28.738 -0.727 0.000 0.927 600 Q HN 0.423 nan 8.270 nan 0.000 0.450 601 F N 1.091 120.915 119.950 -0.210 0.000 2.214 601 F HA -0.300 4.227 4.527 -0.000 0.000 0.302 601 F C 1.690 177.396 175.800 -0.157 0.000 1.063 601 F CA 1.229 59.187 58.000 -0.070 0.000 1.319 601 F CB -0.232 38.814 39.000 0.077 0.000 1.046 601 F HN 0.357 nan 8.300 nan 0.000 0.505 602 C N -1.351 117.575 119.300 -0.624 0.000 2.576 602 C HA 0.223 4.683 4.460 -0.000 0.000 0.267 602 C C 0.973 175.701 174.990 -0.436 0.000 1.364 602 C CA -0.522 58.024 59.018 -0.786 0.000 1.723 602 C CB -1.935 24.888 27.740 -1.529 0.000 1.778 602 C HN 0.200 nan 8.230 nan 0.000 0.572 603 M N 2.964 122.351 119.600 -0.356 0.000 2.036 603 M HA 0.340 4.820 4.480 -0.000 0.000 0.337 603 M C -0.473 175.658 176.300 -0.281 0.000 1.012 603 M CA 0.244 55.392 55.300 -0.253 0.000 0.962 603 M CB 0.510 33.020 32.600 -0.150 0.000 1.423 603 M HN 0.218 nan 8.290 nan 0.000 0.405 604 N N 1.572 120.089 118.700 -0.305 0.000 2.232 604 N HA 0.163 4.903 4.740 -0.000 0.000 0.240 604 N C 0.212 175.475 175.510 -0.411 0.000 1.307 604 N CA -0.097 52.725 53.050 -0.381 0.000 0.859 604 N CB 1.349 39.651 38.487 -0.307 0.000 1.260 604 N HN 0.712 nan 8.380 nan 0.000 0.501 605 G N -0.010 108.532 108.800 -0.430 0.000 2.504 605 G HA2 0.449 4.409 3.960 -0.000 0.000 0.288 605 G HA3 0.449 4.409 3.960 -0.000 0.000 0.288 605 G C 0.889 175.329 174.900 -0.767 0.000 1.182 605 G CA -0.473 44.286 45.100 -0.569 0.000 0.894 605 G HN 0.108 nan 8.290 nan 0.000 0.521 606 L N -0.242 120.523 121.223 -0.762 0.000 2.418 606 L HA 0.156 4.496 4.340 -0.000 0.000 0.218 606 L C 0.713 176.906 176.870 -1.128 0.000 1.125 606 L CA 0.273 54.655 54.840 -0.764 0.000 0.835 606 L CB -0.088 41.681 42.059 -0.483 0.000 0.953 606 L HN 0.394 nan 8.230 nan 0.000 0.454 607 V N -5.286 113.867 119.914 -1.269 0.000 3.040 607 V HA 0.461 4.581 4.120 -0.000 0.000 0.312 607 V C -0.435 175.170 176.094 -0.816 0.000 1.115 607 V CA -1.243 60.433 62.300 -1.040 0.000 0.998 607 V CB 1.682 32.967 31.823 -0.897 0.000 1.042 607 V HN -0.132 nan 8.190 nan 0.000 0.433 608 F N 1.468 121.265 119.950 -0.254 0.000 2.450 608 F HA 0.544 5.071 4.527 -0.000 0.000 0.339 608 F C 1.956 177.664 175.800 -0.155 0.000 1.146 608 F CA 0.414 58.386 58.000 -0.047 0.000 1.267 608 F CB 1.392 40.395 39.000 0.007 0.000 1.178 608 F HN 0.826 nan 8.300 nan 0.000 0.585 609 A N 1.272 124.172 122.820 0.133 0.000 1.997 609 A HA -0.295 4.025 4.320 -0.000 0.000 0.221 609 A C 1.537 179.086 177.584 -0.059 0.000 1.172 609 A CA 2.186 54.239 52.037 0.028 0.000 0.645 609 A CB -1.112 17.943 19.000 0.092 0.000 0.813 609 A HN 0.862 nan 8.150 nan 0.000 0.454 610 D N -3.094 117.292 120.400 -0.024 0.000 2.336 610 D HA 0.199 4.839 4.640 -0.000 0.000 0.229 610 D C 0.529 176.804 176.300 -0.042 0.000 1.061 610 D CA 0.015 53.976 54.000 -0.065 0.000 0.875 610 D CB -0.070 40.698 40.800 -0.054 0.000 0.904 610 D HN 0.185 nan 8.370 nan 0.000 0.525 611 R N -0.798 119.670 120.500 -0.053 0.000 3.527 611 R HA -0.118 4.222 4.340 -0.000 0.000 0.288 611 R C -0.620 175.656 176.300 -0.039 0.000 1.146 611 R CA 1.026 57.070 56.100 -0.093 0.000 0.778 611 R CB -3.268 27.013 30.300 -0.032 0.000 1.289 611 R HN 0.562 nan 8.270 nan 0.000 0.454 612 T N -2.345 112.248 114.554 0.064 0.000 2.797 612 T HA 0.729 5.079 4.350 -0.000 0.000 0.279 612 T C -2.513 172.334 174.700 0.245 0.000 0.991 612 T CA -2.452 59.738 62.100 0.150 0.000 0.979 612 T CB 2.605 71.548 68.868 0.125 0.000 0.943 612 T HN -0.180 nan 8.240 nan 0.000 0.444 613 P HA 0.144 nan 4.420 nan 0.000 0.268 613 P C -0.143 177.201 177.300 0.073 0.000 1.205 613 P CA -0.081 62.998 63.100 -0.035 0.000 0.771 613 P CB 0.237 31.927 31.700 -0.016 0.000 0.858 614 H N 2.952 121.808 119.070 -0.356 0.000 2.495 614 H HA 0.159 4.715 4.556 -0.000 0.000 0.350 614 H C -1.260 173.958 175.328 -0.184 0.000 1.202 614 H CA -2.084 53.746 56.048 -0.363 0.000 1.322 614 H CB 0.582 30.100 29.762 -0.407 0.000 1.544 614 H HN 0.300 nan 8.280 nan 0.000 0.565 615 P HA -0.120 nan 4.420 nan 0.000 0.219 615 P C 1.243 178.539 177.300 -0.007 0.000 1.150 615 P CA 1.275 64.363 63.100 -0.020 0.000 0.814 615 P CB -0.035 31.649 31.700 -0.026 0.000 0.787 616 A N 0.042 122.859 122.820 -0.006 0.000 1.986 616 A HA -0.216 4.104 4.320 -0.000 0.000 0.220 616 A C 2.119 179.645 177.584 -0.096 0.000 1.171 616 A CA 1.540 53.538 52.037 -0.065 0.000 0.640 616 A CB -1.743 17.196 19.000 -0.101 0.000 0.811 616 A HN 0.168 nan 8.150 nan 0.000 0.451 617 L N -0.040 121.140 121.223 -0.071 0.000 2.137 617 L HA -0.189 4.151 4.340 -0.000 0.000 0.213 617 L C 2.436 179.331 176.870 0.043 0.000 1.085 617 L CA 2.741 57.567 54.840 -0.025 0.000 0.760 617 L CB -0.806 41.234 42.059 -0.031 0.000 0.893 617 L HN 0.433 nan 8.230 nan 0.000 0.434 618 T N -1.522 113.064 114.554 0.053 0.000 2.812 618 T HA -0.162 4.188 4.350 -0.000 0.000 0.264 618 T C 1.697 176.490 174.700 0.155 0.000 1.042 618 T CA 1.200 63.386 62.100 0.142 0.000 1.140 618 T CB -0.157 68.779 68.868 0.113 0.000 0.870 618 T HN 0.335 nan 8.240 nan 0.000 0.445 619 E N 1.711 121.950 120.200 0.065 0.000 2.085 619 E HA -0.100 4.250 4.350 -0.000 0.000 0.194 619 E C 2.230 178.836 176.600 0.011 0.000 0.994 619 E CA 1.402 57.847 56.400 0.074 0.000 0.801 619 E CB -0.535 29.176 29.700 0.017 0.000 0.743 619 E HN 0.447 nan 8.360 nan 0.000 0.453 620 A N 0.910 123.625 122.820 -0.174 0.000 1.877 620 A HA -0.251 4.069 4.320 -0.000 0.000 0.216 620 A C 2.178 179.661 177.584 -0.170 0.000 1.186 620 A CA 2.046 53.932 52.037 -0.252 0.000 0.620 620 A CB -0.700 18.132 19.000 -0.280 0.000 0.822 620 A HN 0.290 nan 8.150 nan 0.000 0.443 621 K N -1.249 119.126 120.400 -0.042 0.000 2.074 621 K HA -0.303 4.017 4.320 -0.000 0.000 0.209 621 K C 2.060 178.573 176.600 -0.146 0.000 1.048 621 K CA 2.123 58.399 56.287 -0.019 0.000 0.926 621 K CB -0.351 32.272 32.500 0.206 0.000 0.713 621 K HN 0.660 nan 8.250 nan 0.000 0.444 622 H N 0.309 119.217 119.070 -0.271 0.000 2.326 622 H HA -0.019 4.537 4.556 -0.000 0.000 0.301 622 H C 1.919 176.973 175.328 -0.456 0.000 1.081 622 H CA 1.816 57.516 56.048 -0.580 0.000 1.334 622 H CB 0.011 29.439 29.762 -0.557 0.000 1.385 622 H HN 0.236 nan 8.280 nan 0.000 0.504 623 Q N 0.236 119.761 119.800 -0.459 0.000 2.291 623 Q HA -0.106 4.234 4.340 -0.000 0.000 0.206 623 Q C 1.656 177.117 176.000 -0.898 0.000 0.976 623 Q CA 1.241 56.684 55.803 -0.601 0.000 0.875 623 Q CB 0.014 28.511 28.738 -0.402 0.000 0.927 623 Q HN 0.731 nan 8.270 nan 0.000 0.450 624 Q N 0.754 120.021 119.800 -0.890 0.000 2.360 624 Q HA 0.027 4.367 4.340 -0.000 0.000 0.202 624 Q C 0.121 175.572 176.000 -0.915 0.000 0.915 624 Q CA -0.243 54.904 55.803 -1.092 0.000 0.943 624 Q CB 0.230 28.353 28.738 -1.025 0.000 1.064 624 Q HN 0.457 nan 8.270 nan 0.000 0.511 625 Q N -0.411 118.993 119.800 -0.660 0.000 2.428 625 Q HA -0.038 4.302 4.340 -0.000 0.000 0.276 625 Q C -0.269 175.331 176.000 -0.667 0.000 1.059 625 Q CA 0.323 55.844 55.803 -0.470 0.000 0.923 625 Q CB 0.321 28.932 28.738 -0.212 0.000 1.283 625 Q HN 0.167 nan 8.270 nan 0.000 0.447 626 F N -0.068 119.627 119.950 -0.425 0.000 2.797 626 F HA 0.260 4.787 4.527 -0.000 0.000 0.302 626 F C -0.106 175.122 175.800 -0.953 0.000 1.130 626 F CA 0.001 57.516 58.000 -0.810 0.000 1.387 626 F CB 0.386 38.569 39.000 -1.362 0.000 1.107 626 F HN 0.352 nan 8.300 nan 0.000 0.577 627 F N 0.209 120.067 119.950 -0.153 0.000 2.495 627 F HA 0.488 5.015 4.527 -0.000 0.000 0.327 627 F C -0.086 175.375 175.800 -0.565 0.000 1.103 627 F CA -1.038 56.777 58.000 -0.308 0.000 0.949 627 F CB 1.276 40.110 39.000 -0.276 0.000 1.142 627 F HN -0.320 nan 8.300 nan 0.000 0.457 628 Q N 3.132 122.661 119.800 -0.453 0.000 2.365 628 Q HA 0.525 4.865 4.340 -0.000 0.000 0.269 628 Q C -1.432 174.223 176.000 -0.575 0.000 1.061 628 Q CA -0.662 54.875 55.803 -0.443 0.000 0.816 628 Q CB 3.047 31.676 28.738 -0.182 0.000 1.325 628 Q HN 0.539 nan 8.270 nan 0.000 0.446 629 F N 0.345 120.413 119.950 0.197 0.000 2.522 629 F HA 0.601 5.128 4.527 -0.000 0.000 0.324 629 F C 0.495 176.520 175.800 0.374 0.000 1.077 629 F CA -0.852 57.338 58.000 0.316 0.000 0.944 629 F CB 1.988 41.286 39.000 0.497 0.000 1.175 629 F HN 0.101 nan 8.300 nan 0.000 0.468 630 R N 1.841 122.655 120.500 0.523 0.000 2.628 630 R HA 0.622 4.962 4.340 -0.000 0.000 0.288 630 R C -1.986 174.397 176.300 0.138 0.000 0.980 630 R CA -1.161 55.146 56.100 0.345 0.000 0.891 630 R CB 2.651 33.058 30.300 0.179 0.000 1.188 630 R HN 0.609 nan 8.270 nan 0.000 0.450 631 L N 1.506 122.703 121.223 -0.044 0.000 2.313 631 L HA 0.475 4.815 4.340 -0.000 0.000 0.283 631 L C -0.979 175.742 176.870 -0.249 0.000 1.013 631 L CA 0.152 54.731 54.840 -0.435 0.000 0.816 631 L CB 1.950 43.279 42.059 -1.216 0.000 1.236 631 L HN 0.468 nan 8.230 nan 0.000 0.419 632 S N 3.904 119.481 115.700 -0.205 0.000 2.774 632 S HA 0.697 5.167 4.470 -0.000 0.000 0.297 632 S C 0.374 174.890 174.600 -0.141 0.000 1.143 632 S CA 0.225 58.344 58.200 -0.135 0.000 1.090 632 S CB 0.222 63.378 63.200 -0.073 0.000 1.019 632 S HN 1.475 nan 8.310 nan 0.000 0.482 633 G N 4.247 112.961 108.800 -0.142 0.000 2.574 633 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.301 633 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.301 633 G C 0.381 175.180 174.900 -0.168 0.000 1.166 633 G CA 0.586 45.608 45.100 -0.130 0.000 0.971 633 G HN 0.645 nan 8.290 nan 0.000 0.542 634 Q N 1.242 120.951 119.800 -0.152 0.000 2.198 634 Q HA 0.239 4.579 4.340 -0.000 0.000 0.209 634 Q C -0.067 175.815 176.000 -0.197 0.000 0.848 634 Q CA 0.608 56.302 55.803 -0.182 0.000 0.974 634 Q CB 0.708 29.357 28.738 -0.149 0.000 1.115 634 Q HN 0.548 nan 8.270 nan 0.000 0.494 635 T N 0.746 115.194 114.554 -0.177 0.000 2.797 635 T HA 0.522 4.872 4.350 -0.000 0.000 0.279 635 T C 0.022 174.623 174.700 -0.165 0.000 0.991 635 T CA -0.400 61.611 62.100 -0.147 0.000 0.979 635 T CB 1.574 70.387 68.868 -0.092 0.000 0.943 635 T HN 0.034 nan 8.240 nan 0.000 0.444 636 I N 2.400 122.895 120.570 -0.125 0.000 2.359 636 I HA 0.350 4.520 4.170 -0.000 0.000 0.294 636 I C 0.445 176.594 176.117 0.053 0.000 0.987 636 I CA -0.716 60.547 61.300 -0.062 0.000 1.225 636 I CB 1.542 39.533 38.000 -0.015 0.000 1.366 636 I HN 0.632 nan 8.210 nan 0.000 0.466 637 E N 6.382 126.644 120.200 0.103 0.000 2.134 637 E HA 0.476 4.826 4.350 -0.000 0.000 0.278 637 E C -1.554 175.157 176.600 0.185 0.000 0.959 637 E CA -0.578 55.892 56.400 0.117 0.000 0.783 637 E CB 1.617 31.364 29.700 0.079 0.000 1.095 637 E HN 0.367 nan 8.360 nan 0.000 0.399 638 V N 3.804 123.804 119.914 0.144 0.000 2.513 638 V HA 0.410 4.530 4.120 -0.000 0.000 0.299 638 V C -0.116 176.002 176.094 0.041 0.000 1.035 638 V CA -0.621 61.733 62.300 0.091 0.000 0.889 638 V CB 1.929 33.833 31.823 0.135 0.000 0.988 638 V HN 0.741 nan 8.190 nan 0.000 0.440 639 T N 2.678 117.212 114.554 -0.033 0.000 2.848 639 T HA 0.374 4.724 4.350 -0.000 0.000 0.285 639 T C -0.313 174.379 174.700 -0.013 0.000 0.995 639 T CA -0.349 61.742 62.100 -0.015 0.000 0.970 639 T CB 1.646 70.486 68.868 -0.047 0.000 0.976 639 T HN 0.677 nan 8.240 nan 0.000 0.441 640 S N 1.592 117.293 115.700 0.000 0.000 2.480 640 S HA 0.261 4.731 4.470 -0.000 0.000 0.286 640 S C 0.617 175.107 174.600 -0.184 0.000 1.180 640 S CA -0.586 57.558 58.200 -0.093 0.000 1.075 640 S CB 0.580 63.801 63.200 0.035 0.000 0.996 640 S HN 0.708 nan 8.310 nan 0.000 0.487 641 E N 3.215 123.206 120.200 -0.349 0.000 2.451 641 E HA 0.100 4.450 4.350 -0.000 0.000 0.194 641 E C -0.905 175.531 176.600 -0.273 0.000 1.027 641 E CA -0.075 56.152 56.400 -0.287 0.000 0.914 641 E CB 0.353 29.859 29.700 -0.324 0.000 1.054 641 E HN 0.673 nan 8.360 nan 0.000 0.461 642 Y N 0.448 120.650 120.300 -0.163 0.000 2.319 642 Y HA 0.092 4.642 4.550 -0.000 0.000 0.328 642 Y C 1.396 177.143 175.900 -0.254 0.000 1.133 642 Y CA -0.253 57.730 58.100 -0.196 0.000 1.265 642 Y CB 0.978 39.302 38.460 -0.227 0.000 1.218 642 Y HN -0.023 nan 8.280 nan 0.000 0.508 643 L N 1.706 122.786 121.223 -0.238 0.000 2.298 643 L HA 0.019 4.359 4.340 -0.000 0.000 0.209 643 L C 0.669 177.087 176.870 -0.753 0.000 1.084 643 L CA 0.931 55.361 54.840 -0.684 0.000 0.816 643 L CB 0.005 41.209 42.059 -1.425 0.000 0.967 643 L HN 0.679 nan 8.230 nan 0.000 0.460 644 F N -0.606 119.364 119.950 0.033 0.000 2.747 644 F HA 0.197 4.724 4.527 -0.000 0.000 0.305 644 F C 1.265 177.045 175.800 -0.034 0.000 1.065 644 F CA -0.793 57.196 58.000 -0.018 0.000 1.230 644 F CB 0.363 39.328 39.000 -0.057 0.000 1.027 644 F HN -0.110 nan 8.300 nan 0.000 0.607 645 R N -0.222 120.311 120.500 0.055 0.000 2.674 645 R HA 0.521 4.861 4.340 -0.000 0.000 0.266 645 R C -1.113 175.173 176.300 -0.024 0.000 1.016 645 R CA -0.727 55.344 56.100 -0.048 0.000 1.062 645 R CB 0.772 30.940 30.300 -0.220 0.000 1.142 645 R HN 0.045 nan 8.270 nan 0.000 0.517 646 H N -0.160 118.876 119.070 -0.055 0.000 2.483 646 H HA 0.171 4.727 4.556 -0.000 0.000 0.338 646 H C -0.168 175.168 175.328 0.013 0.000 1.152 646 H CA -0.321 55.733 56.048 0.010 0.000 1.264 646 H CB 1.412 31.189 29.762 0.024 0.000 1.510 646 H HN 0.747 nan 8.280 nan 0.000 0.530 647 S N 2.170 117.736 115.700 -0.223 0.000 4.053 647 S HA -0.052 4.418 4.470 -0.000 0.000 0.184 647 S C 0.203 174.919 174.600 0.192 0.000 1.324 647 S CA -0.105 58.146 58.200 0.084 0.000 0.956 647 S CB -0.865 62.388 63.200 0.087 0.000 1.503 647 S HN 0.732 nan 8.310 nan 0.000 0.440 648 D N 0.557 121.075 120.400 0.197 0.000 2.328 648 D HA 0.011 4.651 4.640 -0.000 0.000 0.226 648 D C 0.433 176.792 176.300 0.099 0.000 1.066 648 D CA -0.119 53.982 54.000 0.167 0.000 0.861 648 D CB -0.252 40.627 40.800 0.132 0.000 0.912 648 D HN 0.490 nan 8.370 nan 0.000 0.521 649 N N 0.008 118.767 118.700 0.098 0.000 2.622 649 N HA 0.125 4.865 4.740 -0.000 0.000 0.293 649 N C -1.580 173.986 175.510 0.094 0.000 1.788 649 N CA -0.246 52.851 53.050 0.079 0.000 0.860 649 N CB 0.275 38.796 38.487 0.057 0.000 1.388 649 N HN -0.068 nan 8.380 nan 0.000 0.496 650 E N 0.090 120.341 120.200 0.086 0.000 2.246 650 E HA 0.447 4.797 4.350 -0.000 0.000 0.266 650 E C -1.574 175.055 176.600 0.048 0.000 0.880 650 E CA -0.597 55.837 56.400 0.057 0.000 0.762 650 E CB 1.956 31.657 29.700 0.003 0.000 1.180 650 E HN 0.076 nan 8.360 nan 0.000 0.416 651 L N 3.429 124.681 121.223 0.049 0.000 2.341 651 L HA 0.541 4.881 4.340 -0.000 0.000 0.278 651 L C -1.511 175.422 176.870 0.106 0.000 1.005 651 L CA -0.922 53.973 54.840 0.092 0.000 0.818 651 L CB 1.543 43.672 42.059 0.116 0.000 1.259 651 L HN 0.595 nan 8.230 nan 0.000 0.418 652 L N 5.129 126.459 121.223 0.178 0.000 2.262 652 L HA 0.445 4.785 4.340 -0.000 0.000 0.288 652 L C -0.665 176.421 176.870 0.360 0.000 1.035 652 L CA 0.077 55.052 54.840 0.224 0.000 0.820 652 L CB 0.377 42.564 42.059 0.212 0.000 1.204 652 L HN 0.568 nan 8.230 nan 0.000 0.424 653 H N 5.751 124.881 119.070 0.100 0.000 2.467 653 H HA 0.381 4.937 4.556 -0.000 0.000 0.326 653 H C -1.097 174.306 175.328 0.124 0.000 1.094 653 H CA -0.704 55.363 56.048 0.033 0.000 1.253 653 H CB 0.966 30.713 29.762 -0.025 0.000 1.439 653 H HN 0.706 nan 8.280 nan 0.000 0.479 654 W N 3.435 124.803 121.300 0.114 0.000 2.929 654 W HA 0.588 5.248 4.660 -0.000 0.000 0.345 654 W C -1.406 175.151 176.519 0.064 0.000 1.151 654 W CA -1.438 55.963 57.345 0.094 0.000 1.111 654 W CB 1.577 31.084 29.460 0.078 0.000 1.449 654 W HN 0.605 nan 8.180 nan 0.000 0.572 655 M N 1.193 121.148 119.600 0.591 0.000 2.569 655 M HA 0.529 5.009 4.480 -0.000 0.000 0.287 655 M C -2.642 173.904 176.300 0.410 0.000 1.130 655 M CA -0.521 54.988 55.300 0.348 0.000 0.885 655 M CB 1.769 34.374 32.600 0.009 0.000 1.759 655 M HN 0.134 nan 8.290 nan 0.000 0.515 656 V N 2.488 122.620 119.914 0.363 0.000 2.495 656 V HA 1.039 5.159 4.120 -0.000 0.000 0.298 656 V C -0.187 176.023 176.094 0.193 0.000 1.031 656 V CA 0.020 62.495 62.300 0.291 0.000 0.871 656 V CB 1.171 33.169 31.823 0.293 0.000 0.988 656 V HN 1.135 nan 8.190 nan 0.000 0.432 657 A N 4.170 127.115 122.820 0.209 0.000 2.539 657 A HA 0.899 5.219 4.320 -0.000 0.000 0.296 657 A C -1.647 176.070 177.584 0.221 0.000 1.073 657 A CA -0.614 51.518 52.037 0.158 0.000 0.700 657 A CB 1.831 20.877 19.000 0.078 0.000 1.296 657 A HN 0.842 nan 8.150 nan 0.000 0.405 658 L N 1.254 122.572 121.223 0.159 0.000 2.294 658 L HA 0.580 4.920 4.340 -0.000 0.000 0.283 658 L C -0.459 176.517 176.870 0.177 0.000 1.015 658 L CA 0.285 55.234 54.840 0.181 0.000 0.831 658 L CB 0.501 42.630 42.059 0.115 0.000 1.217 658 L HN 0.770 nan 8.230 nan 0.000 0.420 659 D N 4.658 125.234 120.400 0.293 0.000 2.733 659 D HA -0.211 4.429 4.640 -0.000 0.000 0.232 659 D C 1.171 177.503 176.300 0.053 0.000 1.161 659 D CA 1.656 55.807 54.000 0.252 0.000 0.653 659 D CB -0.992 39.922 40.800 0.191 0.000 1.052 659 D HN 1.179 nan 8.370 nan 0.000 0.424 660 G N -1.380 107.413 108.800 -0.011 0.000 2.254 660 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.225 660 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.225 660 G C 0.201 175.030 174.900 -0.117 0.000 1.003 660 G CA 0.239 45.229 45.100 -0.182 0.000 0.622 660 G HN 0.429 nan 8.290 nan 0.000 0.507 661 K N 2.437 122.816 120.400 -0.034 0.000 2.285 661 K HA 0.542 4.862 4.320 -0.000 0.000 0.286 661 K C -2.555 174.046 176.600 0.001 0.000 1.072 661 K CA -1.888 54.383 56.287 -0.026 0.000 0.913 661 K CB 1.562 34.059 32.500 -0.005 0.000 1.067 661 K HN 0.131 nan 8.250 nan 0.000 0.479 662 P HA 0.078 nan 4.420 nan 0.000 0.276 662 P C -0.218 177.088 177.300 0.010 0.000 1.243 662 P CA -0.073 63.021 63.100 -0.010 0.000 0.768 662 P CB 0.759 32.428 31.700 -0.051 0.000 0.856 663 L N 1.447 122.697 121.223 0.045 0.000 2.642 663 L HA 0.523 4.863 4.340 -0.000 0.000 0.233 663 L C 0.864 177.771 176.870 0.062 0.000 1.077 663 L CA 0.211 55.083 54.840 0.053 0.000 0.879 663 L CB 0.210 42.317 42.059 0.080 0.000 1.151 663 L HN 0.368 nan 8.230 nan 0.000 0.495 664 A N 0.162 123.030 122.820 0.081 0.000 2.594 664 A HA 0.619 4.939 4.320 -0.000 0.000 0.296 664 A C -0.802 176.734 177.584 -0.079 0.000 1.056 664 A CA -0.121 51.965 52.037 0.081 0.000 0.693 664 A CB 1.555 20.727 19.000 0.286 0.000 1.278 664 A HN 0.051 nan 8.150 nan 0.000 0.408 665 S N 0.265 115.686 115.700 -0.466 0.000 2.588 665 S HA 0.968 5.438 4.470 -0.000 0.000 0.275 665 S C -0.159 173.467 174.600 -1.624 0.000 1.130 665 S CA -0.014 57.548 58.200 -1.064 0.000 0.855 665 S CB 1.614 64.483 63.200 -0.552 0.000 1.116 665 S HN 2.460 nan 8.310 nan 0.000 0.472 666 G N -0.155 107.250 108.800 -2.324 0.000 2.687 666 G HA2 0.671 4.631 3.960 -0.000 0.000 0.291 666 G HA3 0.671 4.631 3.960 -0.000 0.000 0.291 666 G C -2.020 172.347 174.900 -0.890 0.000 1.420 666 G CA -0.705 43.524 45.100 -1.451 0.000 0.796 666 G HN 0.813 nan 8.290 nan 0.000 0.485 667 E N -1.164 118.886 120.200 -0.249 0.000 2.304 667 E HA 0.571 4.921 4.350 -0.000 0.000 0.277 667 E C -1.631 175.040 176.600 0.119 0.000 0.898 667 E CA -0.506 55.836 56.400 -0.096 0.000 0.764 667 E CB 2.903 32.482 29.700 -0.201 0.000 1.216 667 E HN 0.356 nan 8.360 nan 0.000 0.419 668 V N 4.766 124.796 119.914 0.194 0.000 2.777 668 V HA 0.463 4.583 4.120 -0.000 0.000 0.306 668 V C -2.487 173.699 176.094 0.153 0.000 1.112 668 V CA -1.681 60.723 62.300 0.174 0.000 0.917 668 V CB 2.171 34.112 31.823 0.198 0.000 1.018 668 V HN 0.576 nan 8.190 nan 0.000 0.426 669 P HA 0.338 nan 4.420 nan 0.000 0.280 669 P C -0.839 176.519 177.300 0.097 0.000 1.244 669 P CA -0.187 62.975 63.100 0.103 0.000 0.784 669 P CB 1.046 32.801 31.700 0.091 0.000 0.913 670 L N 2.829 124.098 121.223 0.077 0.000 2.350 670 L HA 0.353 4.693 4.340 -0.000 0.000 0.275 670 L C 0.475 177.405 176.870 0.099 0.000 1.099 670 L CA 0.198 55.073 54.840 0.059 0.000 0.808 670 L CB 0.627 42.669 42.059 -0.029 0.000 1.149 670 L HN 0.360 nan 8.230 nan 0.000 0.442 671 D N 2.303 122.768 120.400 0.108 0.000 2.586 671 D HA 0.382 5.022 4.640 -0.000 0.000 0.254 671 D C -1.337 175.007 176.300 0.072 0.000 1.248 671 D CA -0.119 54.005 54.000 0.205 0.000 0.843 671 D CB 0.942 41.879 40.800 0.228 0.000 1.332 671 D HN 0.100 nan 8.370 nan 0.000 0.523 672 V N 0.521 120.302 119.914 -0.220 0.000 2.656 672 V HA 0.930 5.050 4.120 -0.000 0.000 0.307 672 V C 0.589 176.379 176.094 -0.507 0.000 1.051 672 V CA -1.337 60.850 62.300 -0.188 0.000 0.893 672 V CB 1.457 33.296 31.823 0.027 0.000 0.999 672 V HN 0.454 nan 8.190 nan 0.000 0.426 673 A N 4.973 127.697 122.820 -0.160 0.000 2.322 673 A HA 0.813 5.133 4.320 -0.000 0.000 0.269 673 A C -2.403 175.177 177.584 -0.008 0.000 1.094 673 A CA -1.725 50.294 52.037 -0.031 0.000 0.807 673 A CB -0.038 19.035 19.000 0.120 0.000 1.047 673 A HN 0.724 nan 8.150 nan 0.000 0.487 674 P HA -0.033 nan 4.420 nan 0.000 0.261 674 P C -0.429 176.864 177.300 -0.012 0.000 1.173 674 P CA 0.733 63.844 63.100 0.020 0.000 0.760 674 P CB 0.211 31.909 31.700 -0.003 0.000 0.783 675 Q N -1.223 118.556 119.800 -0.035 0.000 2.406 675 Q HA -0.184 4.156 4.340 -0.000 0.000 0.236 675 Q C 0.695 176.684 176.000 -0.018 0.000 0.799 675 Q CA 1.490 57.265 55.803 -0.047 0.000 1.286 675 Q CB -2.473 26.229 28.738 -0.060 0.000 1.615 675 Q HN 0.757 nan 8.270 nan 0.000 0.621 676 G N 0.232 109.033 108.800 0.003 0.000 2.552 676 G HA2 0.594 4.554 3.960 -0.000 0.000 0.318 676 G HA3 0.594 4.554 3.960 -0.000 0.000 0.318 676 G C -0.514 174.403 174.900 0.028 0.000 1.240 676 G CA -0.688 44.423 45.100 0.019 0.000 1.002 676 G HN -0.027 nan 8.290 nan 0.000 0.493 677 K N -0.407 120.014 120.400 0.035 0.000 2.267 677 K HA 0.467 4.787 4.320 -0.000 0.000 0.246 677 K C -0.869 175.765 176.600 0.056 0.000 0.954 677 K CA -0.570 55.743 56.287 0.044 0.000 0.824 677 K CB 2.373 34.893 32.500 0.034 0.000 1.167 677 K HN 0.556 nan 8.250 nan 0.000 0.431 678 Q N 3.176 123.017 119.800 0.068 0.000 2.305 678 Q HA 0.353 4.693 4.340 -0.000 0.000 0.271 678 Q C -1.596 174.448 176.000 0.073 0.000 1.046 678 Q CA -0.638 55.208 55.803 0.073 0.000 0.798 678 Q CB 1.352 30.140 28.738 0.082 0.000 1.286 678 Q HN 0.532 nan 8.270 nan 0.000 0.435 679 L N 5.056 126.313 121.223 0.056 0.000 2.289 679 L HA 0.557 4.897 4.340 -0.000 0.000 0.285 679 L C -0.336 176.556 176.870 0.036 0.000 1.049 679 L CA -0.761 54.104 54.840 0.041 0.000 0.804 679 L CB 1.184 43.256 42.059 0.022 0.000 1.195 679 L HN 0.627 nan 8.230 nan 0.000 0.428 680 I N 2.810 123.393 120.570 0.022 0.000 2.439 680 I HA 0.249 4.419 4.170 -0.000 0.000 0.285 680 I C -0.253 175.830 176.117 -0.056 0.000 1.021 680 I CA -0.700 60.601 61.300 0.002 0.000 1.091 680 I CB 2.106 40.123 38.000 0.027 0.000 1.242 680 I HN 0.492 nan 8.210 nan 0.000 0.439 681 E N 6.510 126.679 120.200 -0.051 0.000 2.223 681 E HA 0.411 4.761 4.350 -0.000 0.000 0.282 681 E C -0.664 175.859 176.600 -0.128 0.000 1.046 681 E CA -0.315 56.038 56.400 -0.078 0.000 0.857 681 E CB 1.427 31.101 29.700 -0.043 0.000 1.055 681 E HN 0.474 nan 8.360 nan 0.000 0.409 682 L N 6.004 127.116 121.223 -0.184 0.000 2.325 682 L HA 0.362 4.702 4.340 -0.000 0.000 0.279 682 L C -1.917 174.845 176.870 -0.180 0.000 1.054 682 L CA -1.946 52.731 54.840 -0.271 0.000 0.804 682 L CB 1.334 43.150 42.059 -0.405 0.000 1.200 682 L HN 0.239 nan 8.230 nan 0.000 0.436 683 P HA 0.030 nan 4.420 nan 0.000 0.272 683 P C -0.477 176.773 177.300 -0.083 0.000 1.223 683 P CA -0.433 62.624 63.100 -0.071 0.000 0.784 683 P CB 0.509 32.214 31.700 0.008 0.000 0.923 684 E N 1.431 121.606 120.200 -0.043 0.000 2.652 684 E HA -0.043 4.307 4.350 -0.000 0.000 0.255 684 E C -0.158 176.426 176.600 -0.027 0.000 0.952 684 E CA 0.619 56.996 56.400 -0.038 0.000 0.947 684 E CB 0.110 29.799 29.700 -0.017 0.000 0.912 684 E HN 0.342 nan 8.360 nan 0.000 0.489 685 L N 6.297 127.493 121.223 -0.044 0.000 2.357 685 L HA 0.314 4.654 4.340 -0.000 0.000 0.273 685 L C -1.909 174.962 176.870 0.002 0.000 1.080 685 L CA -2.136 52.690 54.840 -0.023 0.000 0.803 685 L CB 0.682 42.708 42.059 -0.055 0.000 1.174 685 L HN 0.324 nan 8.230 nan 0.000 0.443 686 P HA 0.044 nan 4.420 nan 0.000 0.268 686 P C -0.887 176.426 177.300 0.022 0.000 1.204 686 P CA -0.218 62.902 63.100 0.034 0.000 0.768 686 P CB 0.610 32.344 31.700 0.057 0.000 0.842 687 Q N 2.488 122.298 119.800 0.016 0.000 2.647 687 Q HA 0.247 4.587 4.340 -0.000 0.000 0.400 687 Q C -2.033 173.976 176.000 0.015 0.000 0.959 687 Q CA -1.708 54.101 55.803 0.010 0.000 1.079 687 Q CB -0.440 28.299 28.738 0.002 0.000 1.351 687 Q HN 0.401 nan 8.270 nan 0.000 0.411 688 P HA -0.158 nan 4.420 nan 0.000 0.268 688 P C 0.102 177.415 177.300 0.022 0.000 1.171 688 P CA 0.413 63.529 63.100 0.027 0.000 0.761 688 P CB 1.163 32.885 31.700 0.037 0.000 0.786 689 E N 0.537 120.750 120.200 0.022 0.000 2.127 689 E HA 0.007 4.357 4.350 -0.000 0.000 0.191 689 E C 0.612 177.226 176.600 0.023 0.000 0.964 689 E CA 0.480 56.891 56.400 0.019 0.000 0.832 689 E CB -0.443 29.267 29.700 0.017 0.000 0.790 689 E HN 0.562 nan 8.360 nan 0.000 0.465 690 S N 1.287 117.004 115.700 0.028 0.000 2.537 690 S HA 0.156 4.626 4.470 -0.000 0.000 0.280 690 S C 0.404 175.027 174.600 0.039 0.000 1.335 690 S CA 0.162 58.382 58.200 0.034 0.000 1.025 690 S CB 0.518 63.740 63.200 0.037 0.000 0.836 690 S HN 0.292 nan 8.310 nan 0.000 0.523 691 A N 1.002 123.849 122.820 0.044 0.000 2.302 691 A HA 0.818 5.138 4.320 -0.000 0.000 0.285 691 A C 0.810 178.433 177.584 0.065 0.000 1.105 691 A CA 0.176 52.243 52.037 0.049 0.000 0.816 691 A CB 0.223 19.253 19.000 0.049 0.000 1.067 691 A HN 1.773 nan 8.150 nan 0.000 0.489 692 G N -0.035 108.805 108.800 0.068 0.000 2.357 692 G HA2 0.324 4.284 3.960 -0.000 0.000 0.289 692 G HA3 0.324 4.284 3.960 -0.000 0.000 0.289 692 G C -1.381 173.569 174.900 0.083 0.000 1.302 692 G CA -0.881 44.278 45.100 0.098 0.000 0.936 692 G HN 0.839 nan 8.290 nan 0.000 0.513 693 Q N -0.575 119.311 119.800 0.142 0.000 2.293 693 Q HA 0.615 4.955 4.340 -0.000 0.000 0.261 693 Q C -0.919 175.180 176.000 0.165 0.000 0.960 693 Q CA -0.761 55.092 55.803 0.084 0.000 0.882 693 Q CB 2.403 31.242 28.738 0.169 0.000 1.275 693 Q HN 0.463 nan 8.270 nan 0.000 0.445 694 L N 3.625 124.821 121.223 -0.046 0.000 2.272 694 L HA 0.484 4.824 4.340 -0.000 0.000 0.289 694 L C -1.791 175.029 176.870 -0.084 0.000 1.032 694 L CA 0.015 54.877 54.840 0.036 0.000 0.810 694 L CB 0.451 42.506 42.059 -0.006 0.000 1.205 694 L HN 0.567 nan 8.230 nan 0.000 0.422 695 W N 5.426 126.797 121.300 0.117 0.000 2.819 695 W HA 0.567 5.227 4.660 -0.000 0.000 0.337 695 W C -1.054 175.576 176.519 0.185 0.000 1.077 695 W CA -0.703 56.735 57.345 0.155 0.000 1.226 695 W CB 1.701 31.281 29.460 0.199 0.000 1.419 695 W HN 0.279 nan 8.180 nan 0.000 0.502 696 L N 3.047 124.571 121.223 0.501 0.000 2.295 696 L HA 0.818 5.158 4.340 -0.000 0.000 0.285 696 L C -0.365 176.820 176.870 0.525 0.000 1.035 696 L CA 0.145 55.254 54.840 0.449 0.000 0.806 696 L CB 1.314 43.577 42.059 0.339 0.000 1.214 696 L HN 0.372 nan 8.230 nan 0.000 0.426 697 T N 4.790 119.595 114.554 0.419 0.000 2.886 697 T HA 0.662 5.012 4.350 -0.000 0.000 0.292 697 T C -0.879 174.008 174.700 0.311 0.000 1.012 697 T CA -0.479 61.818 62.100 0.328 0.000 0.982 697 T CB 1.642 70.636 68.868 0.210 0.000 1.018 697 T HN 0.619 nan 8.240 nan 0.000 0.451 698 V N 1.257 121.307 119.914 0.227 0.000 2.680 698 V HA 0.864 4.984 4.120 -0.000 0.000 0.309 698 V C -0.773 175.387 176.094 0.109 0.000 1.052 698 V CA -1.119 61.277 62.300 0.160 0.000 0.908 698 V CB 1.902 33.743 31.823 0.030 0.000 1.001 698 V HN 0.841 nan 8.190 nan 0.000 0.431 699 R N 2.201 122.787 120.500 0.144 0.000 2.771 699 R HA 0.835 5.175 4.340 -0.000 0.000 0.274 699 R C -1.716 174.663 176.300 0.131 0.000 0.987 699 R CA -0.835 55.360 56.100 0.158 0.000 0.908 699 R CB 2.759 33.103 30.300 0.074 0.000 1.213 699 R HN 0.657 nan 8.270 nan 0.000 0.468 700 V N 2.870 122.886 119.914 0.169 0.000 2.384 700 V HA 0.433 4.553 4.120 -0.000 0.000 0.287 700 V C -0.456 175.671 176.094 0.056 0.000 1.020 700 V CA -0.659 61.710 62.300 0.114 0.000 0.850 700 V CB 1.738 33.646 31.823 0.141 0.000 0.987 700 V HN 0.442 nan 8.190 nan 0.000 0.436 701 V N 4.469 124.366 119.914 -0.029 0.000 2.680 701 V HA 0.478 4.598 4.120 -0.000 0.000 0.309 701 V C -0.401 175.707 176.094 0.022 0.000 1.052 701 V CA -0.847 61.421 62.300 -0.053 0.000 0.908 701 V CB 1.987 33.677 31.823 -0.222 0.000 1.001 701 V HN 0.867 nan 8.190 nan 0.000 0.431 702 Q N 4.137 123.976 119.800 0.066 0.000 2.465 702 Q HA 0.277 4.617 4.340 -0.000 0.000 0.237 702 Q C -1.837 174.184 176.000 0.035 0.000 1.051 702 Q CA -1.810 54.041 55.803 0.079 0.000 0.874 702 Q CB 1.900 30.713 28.738 0.125 0.000 1.207 702 Q HN 0.493 nan 8.270 nan 0.000 0.508 703 P HA -0.210 nan 4.420 nan 0.000 0.214 703 P C -0.514 176.789 177.300 0.005 0.000 1.163 703 P CA 1.393 64.506 63.100 0.022 0.000 0.889 703 P CB 0.285 32.006 31.700 0.034 0.000 0.790 704 N N -0.855 117.843 118.700 -0.005 0.000 2.492 704 N HA 0.442 5.182 4.740 -0.000 0.000 0.289 704 N C -0.273 175.194 175.510 -0.072 0.000 1.133 704 N CA -0.646 52.387 53.050 -0.028 0.000 0.961 704 N CB 0.679 39.152 38.487 -0.022 0.000 1.186 704 N HN 0.015 nan 8.380 nan 0.000 0.493 705 A N 0.412 123.179 122.820 -0.088 0.000 2.346 705 A HA 0.547 4.867 4.320 -0.000 0.000 0.252 705 A C 0.554 178.010 177.584 -0.213 0.000 1.089 705 A CA -0.141 51.801 52.037 -0.157 0.000 0.797 705 A CB 0.007 18.933 19.000 -0.123 0.000 1.047 705 A HN 0.735 nan 8.150 nan 0.000 0.494 706 T N -3.526 110.803 114.554 -0.375 0.000 2.773 706 T HA 0.619 4.969 4.350 -0.000 0.000 0.278 706 T C 0.897 175.384 174.700 -0.356 0.000 1.011 706 T CA 0.056 61.900 62.100 -0.427 0.000 1.014 706 T CB 1.117 69.446 68.868 -0.897 0.000 1.293 706 T HN 1.365 nan 8.240 nan 0.000 0.554 707 A N -0.166 122.537 122.820 -0.195 0.000 2.121 707 A HA 0.137 4.457 4.320 -0.000 0.000 0.218 707 A C 1.485 179.166 177.584 0.163 0.000 1.154 707 A CA 0.888 52.962 52.037 0.062 0.000 0.679 707 A CB -0.827 18.316 19.000 0.239 0.000 0.795 707 A HN 0.905 nan 8.150 nan 0.000 0.458 708 W N -0.971 120.375 121.300 0.077 0.000 2.518 708 W HA 0.430 5.090 4.660 -0.000 0.000 0.352 708 W C -0.186 176.292 176.519 -0.068 0.000 0.952 708 W CA 0.405 57.757 57.345 0.012 0.000 1.624 708 W CB -1.170 28.284 29.460 -0.011 0.000 1.135 708 W HN 0.404 nan 8.180 nan 0.000 0.540 709 S N 0.230 115.434 115.700 -0.827 0.000 2.556 709 S HA 0.449 4.919 4.470 -0.000 0.000 0.271 709 S C -0.561 173.773 174.600 -0.444 0.000 1.135 709 S CA -0.616 57.133 58.200 -0.751 0.000 0.858 709 S CB 2.815 65.175 63.200 -1.399 0.000 1.114 709 S HN 0.063 nan 8.310 nan 0.000 0.468 710 E N 0.872 120.929 120.200 -0.238 0.000 2.342 710 E HA 0.533 4.883 4.350 -0.000 0.000 0.257 710 E C 0.398 176.950 176.600 -0.079 0.000 1.150 710 E CA -0.561 55.772 56.400 -0.111 0.000 0.926 710 E CB 1.137 30.824 29.700 -0.023 0.000 1.074 710 E HN 0.881 nan 8.360 nan 0.000 0.449 711 A N -0.123 122.669 122.820 -0.047 0.000 2.407 711 A HA 0.443 4.763 4.320 -0.000 0.000 0.248 711 A C 1.006 178.598 177.584 0.012 0.000 1.082 711 A CA 0.555 52.578 52.037 -0.024 0.000 0.785 711 A CB -0.153 18.836 19.000 -0.019 0.000 1.020 711 A HN 0.745 nan 8.150 nan 0.000 0.489 712 G N 0.326 109.139 108.800 0.022 0.000 2.160 712 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.244 712 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.244 712 G C 0.066 174.996 174.900 0.050 0.000 1.022 712 G CA 0.714 45.824 45.100 0.017 0.000 0.741 712 G HN 1.676 nan 8.290 nan 0.000 0.508 713 H N 0.088 119.147 119.070 -0.018 0.000 2.652 713 H HA 0.542 5.098 4.556 -0.000 0.000 0.349 713 H C 0.443 175.815 175.328 0.073 0.000 1.099 713 H CA -0.685 55.379 56.048 0.026 0.000 1.417 713 H CB 0.371 30.139 29.762 0.009 0.000 1.457 713 H HN 0.047 nan 8.280 nan 0.000 0.568 714 I N 4.586 124.852 120.570 -0.507 0.000 2.325 714 I HA 0.037 4.207 4.170 -0.000 0.000 0.291 714 I C 1.072 177.037 176.117 -0.254 0.000 1.019 714 I CA -0.027 61.119 61.300 -0.256 0.000 1.302 714 I CB 0.778 38.702 38.000 -0.126 0.000 1.401 714 I HN 0.839 nan 8.210 nan 0.000 0.485 715 S N 3.796 119.564 115.700 0.114 0.000 2.526 715 S HA 0.664 5.134 4.470 -0.000 0.000 0.220 715 S C 0.488 175.343 174.600 0.424 0.000 1.017 715 S CA 0.116 58.514 58.200 0.329 0.000 0.930 715 S CB 0.636 64.140 63.200 0.507 0.000 0.856 715 S HN 0.754 nan 8.310 nan 0.000 0.497 716 A N 0.611 123.717 122.820 0.477 0.000 2.605 716 A HA 0.675 4.995 4.320 -0.000 0.000 0.294 716 A C -1.731 176.216 177.584 0.605 0.000 1.062 716 A CA -0.903 51.405 52.037 0.452 0.000 0.682 716 A CB 0.440 19.756 19.000 0.526 0.000 1.278 716 A HN 0.918 nan 8.150 nan 0.000 0.410 717 W N -0.006 121.465 121.300 0.285 0.000 3.005 717 W HA 0.809 5.469 4.660 -0.000 0.000 0.343 717 W C -1.183 175.376 176.519 0.067 0.000 1.243 717 W CA -0.644 56.756 57.345 0.091 0.000 1.186 717 W CB 1.202 30.659 29.460 -0.005 0.000 1.453 717 W HN 1.105 nan 8.180 nan 0.000 0.575 718 Q N 1.709 121.567 119.800 0.096 0.000 2.574 718 Q HA 0.302 4.642 4.340 -0.000 0.000 0.265 718 Q C -1.562 174.233 176.000 -0.342 0.000 0.975 718 Q CA -0.575 55.102 55.803 -0.210 0.000 0.923 718 Q CB 1.975 30.426 28.738 -0.479 0.000 1.518 718 Q HN 0.674 nan 8.270 nan 0.000 0.401 719 Q N 2.607 122.180 119.800 -0.378 0.000 2.458 719 Q HA 0.758 5.098 4.340 -0.000 0.000 0.282 719 Q C -1.223 174.673 176.000 -0.173 0.000 1.106 719 Q CA -0.664 55.065 55.803 -0.124 0.000 0.814 719 Q CB 2.028 30.878 28.738 0.186 0.000 1.425 719 Q HN 0.633 nan 8.270 nan 0.000 0.437 720 W N 1.199 122.702 121.300 0.339 0.000 3.127 720 W HA 0.437 5.097 4.660 -0.000 0.000 0.330 720 W C -0.609 175.926 176.519 0.027 0.000 1.187 720 W CA -0.800 56.663 57.345 0.197 0.000 1.198 720 W CB 2.215 31.723 29.460 0.080 0.000 1.408 720 W HN 0.680 nan 8.180 nan 0.000 0.529 721 R N 2.599 122.999 120.500 -0.167 0.000 2.202 721 R HA 0.291 4.631 4.340 -0.000 0.000 0.334 721 R C 0.763 176.838 176.300 -0.374 0.000 1.036 721 R CA -0.141 55.452 56.100 -0.846 0.000 0.878 721 R CB 0.611 30.042 30.300 -1.449 0.000 1.067 721 R HN 0.607 nan 8.270 nan 0.000 0.457 722 L N 2.770 123.824 121.223 -0.282 0.000 2.049 722 L HA 0.179 4.519 4.340 -0.000 0.000 0.203 722 L C 0.896 177.665 176.870 -0.168 0.000 1.074 722 L CA 1.017 55.764 54.840 -0.156 0.000 0.749 722 L CB -0.162 41.848 42.059 -0.082 0.000 0.907 722 L HN 0.665 nan 8.230 nan 0.000 0.439 723 A N -0.806 121.897 122.820 -0.194 0.000 2.588 723 A HA 0.622 4.942 4.320 -0.000 0.000 0.290 723 A C -1.421 176.074 177.584 -0.149 0.000 1.136 723 A CA -0.438 51.514 52.037 -0.142 0.000 0.681 723 A CB 1.854 20.806 19.000 -0.081 0.000 1.282 723 A HN 0.056 nan 8.150 nan 0.000 0.421 724 E N 0.410 120.553 120.200 -0.095 0.000 2.275 724 E HA 0.425 4.775 4.350 -0.000 0.000 0.270 724 E C -1.677 174.908 176.600 -0.026 0.000 0.882 724 E CA -0.640 55.722 56.400 -0.064 0.000 0.758 724 E CB 1.272 30.932 29.700 -0.068 0.000 1.195 724 E HN 0.544 nan 8.360 nan 0.000 0.419 725 N N 4.598 123.296 118.700 -0.002 0.000 2.564 725 N HA 0.295 5.035 4.740 -0.000 0.000 0.248 725 N C -0.657 174.865 175.510 0.021 0.000 0.986 725 N CA -0.317 52.739 53.050 0.010 0.000 0.921 725 N CB 1.045 39.543 38.487 0.018 0.000 1.136 725 N HN 0.476 nan 8.380 nan 0.000 0.509 726 L N 0.675 121.909 121.223 0.018 0.000 2.456 726 L HA 0.131 4.471 4.340 -0.000 0.000 0.272 726 L C 1.199 178.089 176.870 0.033 0.000 1.189 726 L CA 0.112 54.969 54.840 0.028 0.000 0.846 726 L CB 0.544 42.618 42.059 0.025 0.000 1.111 726 L HN 0.331 nan 8.230 nan 0.000 0.475 727 S N 1.395 117.121 115.700 0.042 0.000 2.465 727 S HA 0.278 4.748 4.470 -0.000 0.000 0.279 727 S C 0.558 175.181 174.600 0.038 0.000 1.201 727 S CA -0.898 57.328 58.200 0.043 0.000 1.053 727 S CB 0.812 64.043 63.200 0.052 0.000 0.953 727 S HN 0.437 nan 8.310 nan 0.000 0.488 728 V N 2.573 122.507 119.914 0.032 0.000 3.376 728 V HA 0.299 4.419 4.120 -0.000 0.000 0.313 728 V C 0.870 176.980 176.094 0.028 0.000 1.393 728 V CA -0.014 62.303 62.300 0.028 0.000 1.125 728 V CB -1.062 30.774 31.823 0.023 0.000 1.037 728 V HN 0.838 nan 8.190 nan 0.000 0.440 729 T N 0.113 114.686 114.554 0.031 0.000 2.902 729 T HA 0.755 5.105 4.350 -0.000 0.000 0.280 729 T C -0.515 174.203 174.700 0.029 0.000 0.992 729 T CA -0.496 61.621 62.100 0.029 0.000 1.015 729 T CB 1.906 70.790 68.868 0.028 0.000 1.044 729 T HN 0.210 nan 8.240 nan 0.000 0.520 730 L N 1.812 123.050 121.223 0.025 0.000 2.334 730 L HA 0.599 4.939 4.340 -0.000 0.000 0.273 730 L C -1.969 174.913 176.870 0.019 0.000 1.013 730 L CA -2.126 52.727 54.840 0.022 0.000 0.816 730 L CB 0.529 42.598 42.059 0.017 0.000 1.278 730 L HN 0.593 nan 8.230 nan 0.000 0.431 731 P HA 0.335 nan 4.420 nan 0.000 0.271 731 P C -0.718 176.582 177.300 -0.001 0.000 1.216 731 P CA -0.410 62.697 63.100 0.011 0.000 0.771 731 P CB 0.963 32.670 31.700 0.011 0.000 0.864 732 A N 2.649 125.465 122.820 -0.006 0.000 2.332 732 A HA 0.554 4.874 4.320 -0.000 0.000 0.258 732 A C 0.573 178.124 177.584 -0.055 0.000 1.087 732 A CA -0.194 51.832 52.037 -0.019 0.000 0.802 732 A CB -0.156 18.839 19.000 -0.009 0.000 1.042 732 A HN 0.738 nan 8.150 nan 0.000 0.489 733 A N 1.180 123.959 122.820 -0.068 0.000 2.520 733 A HA 0.487 4.807 4.320 -0.000 0.000 0.235 733 A C 0.789 178.204 177.584 -0.280 0.000 1.065 733 A CA 0.476 52.441 52.037 -0.119 0.000 0.764 733 A CB -0.424 18.531 19.000 -0.076 0.000 1.002 733 A HN 1.512 nan 8.150 nan 0.000 0.502 734 S N 0.719 116.260 115.700 -0.265 0.000 2.608 734 S HA 0.494 4.964 4.470 -0.000 0.000 0.291 734 S C 0.233 174.594 174.600 -0.398 0.000 1.146 734 S CA -0.726 57.267 58.200 -0.344 0.000 1.043 734 S CB 0.830 63.949 63.200 -0.136 0.000 1.037 734 S HN 0.668 nan 8.310 nan 0.000 0.520 735 H N 0.199 119.279 119.070 0.017 0.000 2.539 735 H HA 0.557 5.113 4.556 -0.000 0.000 0.269 735 H C 0.586 175.921 175.328 0.013 0.000 0.980 735 H CA 0.554 56.610 56.048 0.013 0.000 1.152 735 H CB -0.091 29.677 29.762 0.011 0.000 1.407 735 H HN 0.775 nan 8.280 nan 0.000 0.564 736 A N 0.952 123.805 122.820 0.054 0.000 2.599 736 A HA 0.619 4.939 4.320 -0.000 0.000 0.290 736 A C -1.062 176.539 177.584 0.028 0.000 1.101 736 A CA -0.777 51.291 52.037 0.051 0.000 0.674 736 A CB 1.473 20.514 19.000 0.068 0.000 1.277 736 A HN 0.215 nan 8.150 nan 0.000 0.419 737 I N -1.550 119.041 120.570 0.036 0.000 2.865 737 I HA 0.790 4.960 4.170 -0.000 0.000 0.302 737 I C -2.874 173.280 176.117 0.062 0.000 1.140 737 I CA -2.581 58.738 61.300 0.032 0.000 1.021 737 I CB 2.403 40.411 38.000 0.013 0.000 1.233 737 I HN 0.392 nan 8.210 nan 0.000 0.427 738 P HA 0.014 nan 4.420 nan 0.000 0.269 738 P C -1.327 176.061 177.300 0.147 0.000 1.211 738 P CA 0.383 63.540 63.100 0.096 0.000 0.781 738 P CB 0.190 31.905 31.700 0.024 0.000 0.877 739 H N 1.898 120.997 119.070 0.048 0.000 2.587 739 H HA 0.370 4.926 4.556 -0.000 0.000 0.325 739 H C -1.016 174.339 175.328 0.045 0.000 1.012 739 H CA -1.110 54.960 56.048 0.036 0.000 1.213 739 H CB 0.954 30.739 29.762 0.038 0.000 1.431 739 H HN 0.201 nan 8.280 nan 0.000 0.492 740 L N 5.071 126.171 121.223 -0.206 0.000 2.326 740 L HA 0.316 4.656 4.340 -0.000 0.000 0.278 740 L C -0.737 175.926 176.870 -0.346 0.000 1.092 740 L CA 0.275 54.970 54.840 -0.242 0.000 0.810 740 L CB 1.389 43.372 42.059 -0.127 0.000 1.153 740 L HN 0.644 nan 8.230 nan 0.000 0.439 741 T N 3.025 117.466 114.554 -0.187 0.000 2.921 741 T HA 0.428 4.778 4.350 -0.000 0.000 0.297 741 T C -0.635 174.113 174.700 0.081 0.000 1.013 741 T CA -0.459 61.586 62.100 -0.091 0.000 0.990 741 T CB 1.390 70.187 68.868 -0.118 0.000 1.023 741 T HN 0.610 nan 8.240 nan 0.000 0.447 742 T N 2.589 117.210 114.554 0.112 0.000 2.821 742 T HA 0.487 4.837 4.350 -0.000 0.000 0.307 742 T C 0.604 175.366 174.700 0.104 0.000 1.034 742 T CA -0.479 61.745 62.100 0.208 0.000 0.953 742 T CB 1.032 70.052 68.868 0.252 0.000 0.968 742 T HN 0.636 nan 8.240 nan 0.000 0.462 743 S N 2.160 117.896 115.700 0.059 0.000 2.598 743 S HA 0.251 4.721 4.470 -0.000 0.000 0.267 743 S C 1.291 175.870 174.600 -0.036 0.000 1.189 743 S CA -0.332 57.872 58.200 0.006 0.000 1.010 743 S CB 0.994 64.192 63.200 -0.004 0.000 1.084 743 S HN 0.779 nan 8.310 nan 0.000 0.541 744 E N -0.988 119.183 120.200 -0.048 0.000 2.364 744 E HA 0.065 4.415 4.350 -0.000 0.000 0.196 744 E C 1.400 177.932 176.600 -0.114 0.000 0.990 744 E CA 0.123 56.483 56.400 -0.067 0.000 0.886 744 E CB -0.016 29.662 29.700 -0.037 0.000 0.866 744 E HN 0.578 nan 8.360 nan 0.000 0.493 745 M N 1.253 120.793 119.600 -0.101 0.000 2.501 745 M HA 0.160 4.640 4.480 -0.000 0.000 0.261 745 M C -0.314 175.896 176.300 -0.150 0.000 1.129 745 M CA 0.791 56.032 55.300 -0.097 0.000 1.126 745 M CB -0.259 32.316 32.600 -0.042 0.000 1.359 745 M HN 0.112 nan 8.290 nan 0.000 0.471 746 D N -2.095 118.183 120.400 -0.203 0.000 2.879 746 D HA 0.389 5.029 4.640 -0.000 0.000 0.346 746 D C -0.975 175.178 176.300 -0.245 0.000 1.390 746 D CA -0.701 53.142 54.000 -0.261 0.000 0.838 746 D CB 0.636 41.419 40.800 -0.029 0.000 1.416 746 D HN -0.039 nan 8.370 nan 0.000 0.493 750 E N 4.342 124.686 120.200 0.240 0.000 2.277 750 E HA 0.881 5.231 4.350 -0.000 0.000 0.266 750 E C -1.680 175.093 176.600 0.288 0.000 0.901 750 E CA -0.834 55.713 56.400 0.245 0.000 0.782 750 E CB 2.923 32.701 29.700 0.130 0.000 1.228 750 E HN 0.554 nan 8.360 nan 0.000 0.424 751 L N 3.799 125.180 121.223 0.264 0.000 2.929 751 L HA 0.461 4.801 4.340 -0.000 0.000 0.246 751 L C -0.149 176.803 176.870 0.136 0.000 0.960 751 L CA 0.720 55.696 54.840 0.226 0.000 1.056 751 L CB 0.800 43.045 42.059 0.310 0.000 1.437 751 L HN 0.757 nan 8.230 nan 0.000 0.514 752 G N 3.805 112.654 108.800 0.082 0.000 2.527 752 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.268 752 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.268 752 G C 0.565 175.465 174.900 0.000 0.000 1.175 752 G CA 0.474 45.597 45.100 0.038 0.000 0.962 752 G HN 1.059 nan 8.290 nan 0.000 0.560 753 N N 1.010 119.695 118.700 -0.025 0.000 2.396 753 N HA 0.005 4.745 4.740 -0.000 0.000 0.180 753 N C 0.834 176.283 175.510 -0.103 0.000 1.028 753 N CA 1.451 54.467 53.050 -0.057 0.000 0.893 753 N CB -0.156 38.299 38.487 -0.052 0.000 0.967 753 N HN 0.778 nan 8.380 nan 0.000 0.440 754 K N 0.384 120.703 120.400 -0.135 0.000 2.270 754 K HA 0.316 4.636 4.320 -0.000 0.000 0.276 754 K C -0.136 176.247 176.600 -0.362 0.000 1.023 754 K CA -0.075 56.006 56.287 -0.343 0.000 0.955 754 K CB 1.001 33.233 32.500 -0.447 0.000 0.975 754 K HN 0.047 nan 8.250 nan 0.000 0.471 755 R N 1.667 121.829 120.500 -0.563 0.000 2.604 755 R HA 0.355 4.695 4.340 -0.000 0.000 0.270 755 R C -1.699 174.471 176.300 -0.218 0.000 1.052 755 R CA -0.647 55.331 56.100 -0.203 0.000 0.902 755 R CB 1.348 31.596 30.300 -0.088 0.000 1.233 755 R HN 0.598 nan 8.270 nan 0.000 0.455 756 W N 3.039 124.445 121.300 0.177 0.000 2.883 756 W HA 0.344 5.004 4.660 -0.000 0.000 0.335 756 W C -0.745 175.853 176.519 0.132 0.000 1.083 756 W CA -0.555 56.850 57.345 0.101 0.000 1.233 756 W CB 2.258 31.748 29.460 0.050 0.000 1.412 756 W HN 0.428 nan 8.180 nan 0.000 0.490 757 Q N 2.650 122.584 119.800 0.224 0.000 2.337 757 Q HA 0.481 4.821 4.340 -0.000 0.000 0.270 757 Q C -2.021 173.905 176.000 -0.124 0.000 1.043 757 Q CA -0.504 55.411 55.803 0.186 0.000 0.794 757 Q CB 1.807 30.721 28.738 0.294 0.000 1.281 757 Q HN 0.372 nan 8.270 nan 0.000 0.446 758 F N 2.784 122.826 119.950 0.155 0.000 2.426 758 F HA 0.316 4.843 4.527 -0.000 0.000 0.348 758 F C 0.624 176.444 175.800 0.035 0.000 1.124 758 F CA -0.813 57.244 58.000 0.096 0.000 1.008 758 F CB 1.380 40.455 39.000 0.126 0.000 1.139 758 F HN 0.518 nan 8.300 nan 0.000 0.452 759 N N 3.478 122.277 118.700 0.164 0.000 2.497 759 N HA 0.076 4.816 4.740 -0.000 0.000 0.268 759 N C 0.887 176.398 175.510 0.001 0.000 1.171 759 N CA 0.049 53.141 53.050 0.069 0.000 0.948 759 N CB 0.794 39.332 38.487 0.085 0.000 1.069 759 N HN 0.708 nan 8.380 nan 0.000 0.460 760 R N 1.363 121.784 120.500 -0.130 0.000 2.236 760 R HA -0.030 4.310 4.340 -0.000 0.000 0.208 760 R C 1.460 177.684 176.300 -0.127 0.000 1.036 760 R CA 0.967 56.932 56.100 -0.225 0.000 1.001 760 R CB 0.241 30.291 30.300 -0.416 0.000 0.896 760 R HN 0.699 nan 8.270 nan 0.000 0.464 761 Q N -0.477 119.283 119.800 -0.067 0.000 2.373 761 Q HA 0.040 4.380 4.340 -0.000 0.000 0.210 761 Q C 1.742 177.725 176.000 -0.028 0.000 0.913 761 Q CA 1.215 56.989 55.803 -0.048 0.000 0.911 761 Q CB 0.239 28.964 28.738 -0.022 0.000 1.040 761 Q HN 0.223 nan 8.270 nan 0.000 0.521 762 S N 0.297 116.006 115.700 0.015 0.000 2.439 762 S HA 0.227 4.697 4.470 -0.000 0.000 0.224 762 S C 1.599 176.114 174.600 -0.142 0.000 1.029 762 S CA 0.792 59.031 58.200 0.064 0.000 0.946 762 S CB -0.079 63.284 63.200 0.270 0.000 0.797 762 S HN 0.585 nan 8.310 nan 0.000 0.504 763 G N 0.431 109.163 108.800 -0.113 0.000 2.143 763 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.248 763 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.248 763 G C -0.106 174.653 174.900 -0.236 0.000 0.991 763 G CA 0.364 45.362 45.100 -0.170 0.000 0.689 763 G HN 0.534 nan 8.290 nan 0.000 0.522 764 F N -1.362 118.773 119.950 0.309 0.000 2.575 764 F HA 0.680 5.207 4.527 -0.000 0.000 0.330 764 F C 0.465 176.338 175.800 0.123 0.000 1.056 764 F CA -1.469 56.690 58.000 0.265 0.000 0.964 764 F CB 1.382 40.483 39.000 0.168 0.000 1.258 764 F HN 0.011 nan 8.300 nan 0.000 0.484 765 L N 1.552 122.903 121.223 0.213 0.000 2.456 765 L HA 0.211 4.551 4.340 -0.000 0.000 0.277 765 L C 0.557 177.346 176.870 -0.136 0.000 1.124 765 L CA 0.785 55.365 54.840 -0.434 0.000 0.880 765 L CB 0.247 42.066 42.059 -0.401 0.000 1.192 765 L HN 0.634 nan 8.230 nan 0.000 0.463 766 S N 2.659 118.265 115.700 -0.158 0.000 2.456 766 S HA 0.144 4.614 4.470 -0.000 0.000 0.224 766 S C 0.342 174.848 174.600 -0.156 0.000 1.035 766 S CA 0.329 58.489 58.200 -0.068 0.000 0.940 766 S CB 0.040 63.240 63.200 0.001 0.000 0.799 766 S HN 0.741 nan 8.310 nan 0.000 0.508 767 Q N -0.151 119.504 119.800 -0.242 0.000 2.633 767 Q HA 0.626 4.966 4.340 -0.000 0.000 0.289 767 Q C -1.655 174.038 176.000 -0.512 0.000 0.940 767 Q CA -0.607 54.931 55.803 -0.441 0.000 0.785 767 Q CB 1.348 29.710 28.738 -0.627 0.000 1.467 767 Q HN 0.262 nan 8.270 nan 0.000 0.401 768 M N 0.321 119.477 119.600 -0.739 0.000 2.465 768 M HA 0.783 5.263 4.480 -0.000 0.000 0.284 768 M C -1.963 173.919 176.300 -0.696 0.000 1.212 768 M CA -0.288 54.659 55.300 -0.588 0.000 0.910 768 M CB 2.000 34.288 32.600 -0.520 0.000 1.725 768 M HN 0.510 nan 8.290 nan 0.000 0.477 769 W N 3.270 124.345 121.300 -0.376 0.000 2.844 769 W HA 0.693 5.353 4.660 -0.000 0.000 0.340 769 W C -1.526 174.786 176.519 -0.345 0.000 1.093 769 W CA -0.897 56.279 57.345 -0.283 0.000 1.212 769 W CB 2.003 31.331 29.460 -0.219 0.000 1.422 769 W HN 0.578 nan 8.180 nan 0.000 0.515 770 I N 2.143 122.720 120.570 0.011 0.000 2.418 770 I HA 0.452 4.622 4.170 -0.000 0.000 0.287 770 I C 0.829 176.945 176.117 -0.002 0.000 1.008 770 I CA 0.251 61.508 61.300 -0.071 0.000 1.104 770 I CB 1.268 39.199 38.000 -0.116 0.000 1.264 770 I HN 0.722 nan 8.210 nan 0.000 0.438 771 G N 5.595 114.382 108.800 -0.022 0.000 2.583 771 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.292 771 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.292 771 G C 0.323 175.244 174.900 0.036 0.000 1.203 771 G CA 0.517 45.611 45.100 -0.011 0.000 0.987 771 G HN 0.787 nan 8.290 nan 0.000 0.554 772 D N 0.746 121.181 120.400 0.058 0.000 2.402 772 D HA 0.231 4.870 4.640 -0.000 0.000 0.216 772 D C 0.585 177.025 176.300 0.233 0.000 1.128 772 D CA 0.134 54.202 54.000 0.114 0.000 0.833 772 D CB 0.376 41.198 40.800 0.038 0.000 0.971 772 D HN 0.440 nan 8.370 nan 0.000 0.503 773 K N 0.996 121.503 120.400 0.178 0.000 2.234 773 K HA 0.295 4.615 4.320 -0.000 0.000 0.277 773 K C -0.069 176.503 176.600 -0.045 0.000 1.038 773 K CA -0.504 55.826 56.287 0.073 0.000 0.888 773 K CB 1.849 34.348 32.500 -0.001 0.000 1.091 773 K HN -0.155 nan 8.250 nan 0.000 0.467 774 K N 1.812 122.090 120.400 -0.203 0.000 2.258 774 K HA 0.048 4.368 4.320 -0.000 0.000 0.264 774 K C 0.758 177.149 176.600 -0.348 0.000 1.007 774 K CA -0.155 55.794 56.287 -0.563 0.000 0.941 774 K CB 0.725 32.943 32.500 -0.469 0.000 0.966 774 K HN 0.434 nan 8.250 nan 0.000 0.480 775 Q N 0.987 120.554 119.800 -0.387 0.000 2.316 775 Q HA 0.214 4.554 4.340 -0.000 0.000 0.235 775 Q C -0.137 175.779 176.000 -0.140 0.000 0.863 775 Q CA 0.414 56.112 55.803 -0.174 0.000 0.939 775 Q CB 0.590 29.280 28.738 -0.080 0.000 1.108 775 Q HN 0.465 nan 8.270 nan 0.000 0.522 776 L N 0.751 121.839 121.223 -0.225 0.000 2.362 776 L HA 0.426 4.766 4.340 -0.000 0.000 0.271 776 L C 0.840 177.585 176.870 -0.208 0.000 1.002 776 L CA -0.462 54.268 54.840 -0.183 0.000 0.818 776 L CB 1.680 43.637 42.059 -0.170 0.000 1.298 776 L HN -0.119 nan 8.230 nan 0.000 0.420 777 L N -0.542 120.549 121.223 -0.220 0.000 2.477 777 L HA 0.274 4.614 4.340 -0.000 0.000 0.220 777 L C 0.430 177.187 176.870 -0.188 0.000 1.106 777 L CA 0.563 55.278 54.840 -0.208 0.000 0.851 777 L CB 0.050 41.971 42.059 -0.229 0.000 0.994 777 L HN 0.577 nan 8.230 nan 0.000 0.462 778 T N 0.601 115.029 114.554 -0.210 0.000 2.912 778 T HA 0.428 4.778 4.350 -0.000 0.000 0.299 778 T C -2.655 171.989 174.700 -0.092 0.000 1.052 778 T CA -1.166 60.853 62.100 -0.135 0.000 0.996 778 T CB 2.631 71.397 68.868 -0.171 0.000 1.070 778 T HN -0.225 nan 8.240 nan 0.000 0.465 779 P HA 0.229 nan 4.420 nan 0.000 0.272 779 P C -0.669 176.605 177.300 -0.043 0.000 1.223 779 P CA -0.734 62.347 63.100 -0.031 0.000 0.784 779 P CB 0.445 32.153 31.700 0.013 0.000 0.923 780 L N 3.924 125.159 121.223 0.020 0.000 2.361 780 L HA 0.291 4.631 4.340 -0.000 0.000 0.278 780 L C 0.578 177.390 176.870 -0.096 0.000 1.113 780 L CA 0.588 55.461 54.840 0.055 0.000 0.849 780 L CB -0.542 41.659 42.059 0.238 0.000 1.155 780 L HN 0.465 nan 8.230 nan 0.000 0.452 781 R N 2.098 122.486 120.500 -0.187 0.000 2.734 781 R HA 0.487 4.827 4.340 -0.000 0.000 0.271 781 R C -1.215 174.963 176.300 -0.203 0.000 1.021 781 R CA -0.970 54.901 56.100 -0.382 0.000 0.893 781 R CB 0.409 30.131 30.300 -0.964 0.000 1.244 781 R HN 0.436 nan 8.270 nan 0.000 0.464 782 D N 0.987 121.312 120.400 -0.126 0.000 2.423 782 D HA 0.094 4.734 4.640 -0.000 0.000 0.238 782 D C -0.443 175.495 176.300 -0.604 0.000 1.142 782 D CA 0.455 54.241 54.000 -0.357 0.000 0.884 782 D CB 0.636 41.190 40.800 -0.411 0.000 1.199 782 D HN 0.352 nan 8.370 nan 0.000 0.438 783 Q N 1.137 120.360 119.800 -0.963 0.000 2.271 783 Q HA 0.320 4.660 4.340 -0.000 0.000 0.268 783 Q C -1.223 174.048 176.000 -1.214 0.000 1.021 783 Q CA -0.581 54.706 55.803 -0.862 0.000 0.802 783 Q CB 0.793 29.252 28.738 -0.465 0.000 1.282 783 Q HN 0.547 nan 8.270 nan 0.000 0.431 784 F N 0.737 120.345 119.950 -0.570 0.000 2.706 784 F HA 0.198 4.725 4.527 -0.000 0.000 0.313 784 F C 0.774 176.190 175.800 -0.641 0.000 1.096 784 F CA -0.124 57.447 58.000 -0.715 0.000 1.219 784 F CB 1.425 39.759 39.000 -1.111 0.000 1.051 784 F HN 0.452 nan 8.300 nan 0.000 0.568 785 T N -0.982 113.313 114.554 -0.431 0.000 2.858 785 T HA 0.764 5.114 4.350 -0.000 0.000 0.285 785 T C -0.586 173.888 174.700 -0.376 0.000 1.052 785 T CA -0.983 60.787 62.100 -0.550 0.000 1.009 785 T CB 2.757 71.255 68.868 -0.617 0.000 1.241 785 T HN 0.227 nan 8.240 nan 0.000 0.542 786 R N -0.411 119.903 120.500 -0.310 0.000 2.774 786 R HA 0.751 5.091 4.340 -0.000 0.000 0.272 786 R C -1.091 175.274 176.300 0.109 0.000 1.000 786 R CA -1.175 54.871 56.100 -0.089 0.000 0.906 786 R CB 1.503 31.756 30.300 -0.078 0.000 1.227 786 R HN 0.846 nan 8.270 nan 0.000 0.468 787 A N 3.257 126.123 122.820 0.077 0.000 2.444 787 A HA 0.329 4.649 4.320 -0.000 0.000 0.287 787 A C -2.060 175.599 177.584 0.125 0.000 1.195 787 A CA -1.458 50.626 52.037 0.079 0.000 0.858 787 A CB -0.455 18.545 19.000 0.000 0.000 1.117 787 A HN 0.519 nan 8.150 nan 0.000 0.521 788 P HA 0.018 nan 4.420 nan 0.000 0.263 788 P C -0.275 177.143 177.300 0.198 0.000 1.168 788 P CA 0.585 63.845 63.100 0.267 0.000 0.759 788 P CB 0.295 32.173 31.700 0.297 0.000 0.782 789 L N 2.395 123.706 121.223 0.147 0.000 2.416 789 L HA 0.226 4.566 4.340 -0.000 0.000 0.262 789 L C 1.755 178.649 176.870 0.040 0.000 1.093 789 L CA -0.623 54.243 54.840 0.044 0.000 0.801 789 L CB 0.252 42.271 42.059 -0.066 0.000 1.191 789 L HN 0.311 nan 8.230 nan 0.000 0.459 790 D N 0.581 120.953 120.400 -0.046 0.000 2.116 790 D HA -0.183 4.457 4.640 -0.000 0.000 0.193 790 D C 1.587 177.870 176.300 -0.028 0.000 0.998 790 D CA 1.583 55.520 54.000 -0.107 0.000 0.836 790 D CB 0.059 40.754 40.800 -0.176 0.000 0.951 790 D HN 0.503 nan 8.370 nan 0.000 0.449 791 N N 1.186 119.868 118.700 -0.029 0.000 2.149 791 N HA -0.133 4.607 4.740 -0.000 0.000 0.188 791 N C 1.230 176.770 175.510 0.051 0.000 1.019 791 N CA 0.867 53.918 53.050 0.001 0.000 0.857 791 N CB -0.329 38.137 38.487 -0.035 0.000 0.997 791 N HN 0.286 nan 8.380 nan 0.000 0.426 792 D N 0.307 120.753 120.400 0.077 0.000 2.224 792 D HA 0.006 4.646 4.640 -0.000 0.000 0.205 792 D C 2.001 178.368 176.300 0.112 0.000 0.965 792 D CA 0.380 54.464 54.000 0.141 0.000 0.852 792 D CB 0.023 40.980 40.800 0.262 0.000 0.947 792 D HN 0.333 nan 8.370 nan 0.000 0.494 793 I N 0.472 121.091 120.570 0.082 0.000 2.400 793 I HA -0.006 4.164 4.170 -0.000 0.000 0.248 793 I C 1.108 177.238 176.117 0.021 0.000 1.109 793 I CA 0.452 61.782 61.300 0.050 0.000 1.425 793 I CB -0.276 37.734 38.000 0.017 0.000 1.094 793 I HN -0.018 nan 8.210 nan 0.000 0.425 794 G N 2.829 111.651 108.800 0.037 0.000 2.247 794 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.260 794 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.260 794 G C -0.146 174.790 174.900 0.059 0.000 0.852 794 G CA 0.579 45.718 45.100 0.064 0.000 1.281 794 G HN 0.442 nan 8.290 nan 0.000 0.378 795 V N -1.046 118.899 119.914 0.053 0.000 2.841 795 V HA 0.903 5.023 4.120 -0.000 0.000 0.310 795 V C 0.629 176.613 176.094 -0.183 0.000 1.090 795 V CA 0.195 62.464 62.300 -0.051 0.000 0.930 795 V CB 1.743 33.508 31.823 -0.096 0.000 1.014 795 V HN 1.098 nan 8.190 nan 0.000 0.425 796 S N 1.369 116.779 115.700 -0.483 0.000 2.506 796 S HA 0.364 4.833 4.470 -0.000 0.000 0.219 796 S C 0.281 174.190 174.600 -1.152 0.000 1.031 796 S CA -0.115 57.303 58.200 -1.303 0.000 0.911 796 S CB -0.079 62.254 63.200 -1.445 0.000 0.812 796 S HN 0.858 nan 8.310 nan 0.000 0.497 797 E N 0.783 120.610 120.200 -0.622 0.000 2.241 797 E HA 0.586 4.936 4.350 -0.000 0.000 0.263 797 E C 0.355 176.789 176.600 -0.277 0.000 0.882 797 E CA -0.285 55.852 56.400 -0.439 0.000 0.769 797 E CB 1.860 31.332 29.700 -0.381 0.000 1.185 797 E HN 0.221 nan 8.360 nan 0.000 0.415 798 A N 2.818 125.514 122.820 -0.208 0.000 1.971 798 A HA -0.267 4.053 4.320 -0.000 0.000 0.222 798 A C 2.003 179.530 177.584 -0.096 0.000 1.182 798 A CA 2.613 54.581 52.037 -0.114 0.000 0.649 798 A CB -0.801 18.162 19.000 -0.063 0.000 0.818 798 A HN 0.653 nan 8.150 nan 0.000 0.458 799 T N -0.165 114.318 114.554 -0.118 0.000 2.708 799 T HA -0.067 4.283 4.350 -0.000 0.000 0.266 799 T C 0.962 175.604 174.700 -0.097 0.000 1.037 799 T CA 1.271 63.311 62.100 -0.100 0.000 1.146 799 T CB -0.192 68.603 68.868 -0.122 0.000 0.865 799 T HN 0.593 nan 8.240 nan 0.000 0.435 800 R N 1.952 122.376 120.500 -0.127 0.000 2.207 800 R HA 0.527 4.867 4.340 -0.000 0.000 0.334 800 R C -0.665 175.574 176.300 -0.102 0.000 1.013 800 R CA -0.600 55.431 56.100 -0.115 0.000 0.858 800 R CB 0.515 30.731 30.300 -0.139 0.000 1.094 800 R HN 0.374 nan 8.270 nan 0.000 0.457 801 I N -1.283 119.242 120.570 -0.075 0.000 2.385 801 I HA 0.348 4.518 4.170 -0.000 0.000 0.294 801 I C -0.479 175.600 176.117 -0.063 0.000 0.988 801 I CA -0.455 60.809 61.300 -0.062 0.000 1.265 801 I CB 1.464 39.438 38.000 -0.044 0.000 1.388 801 I HN 0.326 nan 8.210 nan 0.000 0.480 802 D N 7.688 128.049 120.400 -0.065 0.000 2.427 802 D HA 0.431 5.071 4.640 -0.000 0.000 0.226 802 D C -1.820 174.422 176.300 -0.098 0.000 1.076 802 D CA -2.413 51.541 54.000 -0.078 0.000 0.849 802 D CB 1.712 42.467 40.800 -0.075 0.000 1.052 802 D HN 0.374 nan 8.370 nan 0.000 0.515 803 P HA -0.103 nan 4.420 nan 0.000 0.223 803 P C 0.567 177.768 177.300 -0.166 0.000 1.144 803 P CA 0.733 63.769 63.100 -0.107 0.000 0.783 803 P CB 0.410 32.056 31.700 -0.089 0.000 0.771 804 N N -0.512 118.073 118.700 -0.191 0.000 2.353 804 N HA 0.086 4.826 4.740 -0.000 0.000 0.185 804 N C 0.754 176.027 175.510 -0.395 0.000 1.098 804 N CA 0.087 52.964 53.050 -0.288 0.000 0.872 804 N CB -0.054 38.286 38.487 -0.246 0.000 0.970 804 N HN 0.098 nan 8.380 nan 0.000 0.467 805 A N 0.071 122.722 122.820 -0.281 0.000 2.498 805 A HA 0.029 4.349 4.320 -0.000 0.000 0.239 805 A C 0.833 178.169 177.584 -0.412 0.000 1.068 805 A CA -0.328 51.543 52.037 -0.276 0.000 0.766 805 A CB 0.028 18.953 19.000 -0.125 0.000 1.003 805 A HN 0.329 nan 8.150 nan 0.000 0.497 806 W N 1.771 122.789 121.300 -0.470 0.000 2.302 806 W HA -0.225 4.435 4.660 -0.000 0.000 0.320 806 W C 2.254 178.172 176.519 -1.001 0.000 1.241 806 W CA 1.926 58.688 57.345 -0.971 0.000 1.264 806 W CB -0.459 28.299 29.460 -1.171 0.000 1.154 806 W HN 0.551 nan 8.180 nan 0.000 0.483 807 V N 0.626 120.425 119.914 -0.191 0.000 2.332 807 V HA -0.294 3.826 4.120 -0.000 0.000 0.248 807 V C 2.303 178.477 176.094 0.133 0.000 1.055 807 V CA 2.208 64.621 62.300 0.188 0.000 1.038 807 V CB -0.465 31.507 31.823 0.249 0.000 0.651 807 V HN 0.072 nan 8.190 nan 0.000 0.450 808 E N 0.189 120.370 120.200 -0.030 0.000 2.058 808 E HA -0.189 4.161 4.350 -0.000 0.000 0.194 808 E C 2.379 178.944 176.600 -0.058 0.000 0.997 808 E CA 1.442 57.820 56.400 -0.037 0.000 0.801 808 E CB -0.370 29.273 29.700 -0.096 0.000 0.746 808 E HN 0.628 nan 8.360 nan 0.000 0.450 809 R N -0.446 119.937 120.500 -0.195 0.000 2.075 809 R HA -0.125 4.215 4.340 -0.000 0.000 0.232 809 R C 2.315 178.560 176.300 -0.090 0.000 1.126 809 R CA 1.112 57.082 56.100 -0.217 0.000 0.963 809 R CB -0.434 29.613 30.300 -0.422 0.000 0.858 809 R HN 0.274 nan 8.270 nan 0.000 0.435 810 W N 1.983 123.240 121.300 -0.073 0.000 2.358 810 W HA -0.032 4.628 4.660 -0.000 0.000 0.303 810 W C 2.062 178.546 176.519 -0.057 0.000 1.208 810 W CA 0.387 57.595 57.345 -0.228 0.000 1.274 810 W CB -0.575 28.869 29.460 -0.026 0.000 1.138 810 W HN 0.120 nan 8.180 nan 0.000 0.515 811 K N -0.002 120.628 120.400 0.383 0.000 1.985 811 K HA -0.118 4.202 4.320 -0.000 0.000 0.210 811 K C 2.200 178.886 176.600 0.144 0.000 1.047 811 K CA 1.736 58.216 56.287 0.322 0.000 0.932 811 K CB -0.649 31.983 32.500 0.220 0.000 0.716 811 K HN -0.025 nan 8.250 nan 0.000 0.439 812 A N 1.199 124.068 122.820 0.082 0.000 2.024 812 A HA -0.139 4.181 4.320 -0.000 0.000 0.220 812 A C 2.186 179.781 177.584 0.018 0.000 1.164 812 A CA 1.929 53.992 52.037 0.043 0.000 0.643 812 A CB -0.491 18.515 19.000 0.010 0.000 0.806 812 A HN 0.392 nan 8.150 nan 0.000 0.451 813 A N -2.128 120.685 122.820 -0.011 0.000 2.123 813 A HA 0.396 4.716 4.320 -0.000 0.000 0.214 813 A C 1.890 179.407 177.584 -0.112 0.000 1.152 813 A CA 1.304 53.334 52.037 -0.011 0.000 0.728 813 A CB -0.716 18.260 19.000 -0.039 0.000 0.814 813 A HN 1.888 nan 8.150 nan 0.000 0.464 814 G N -1.818 106.860 108.800 -0.204 0.000 2.141 814 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.231 814 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.231 814 G C 0.611 175.478 174.900 -0.054 0.000 0.984 814 G CA 0.611 45.385 45.100 -0.543 0.000 0.660 814 G HN 0.705 nan 8.290 nan 0.000 0.525 815 H N -1.304 117.719 119.070 -0.078 0.000 2.387 815 H HA -0.112 4.444 4.556 -0.000 0.000 0.299 815 H C 2.177 177.457 175.328 -0.079 0.000 1.099 815 H CA 1.648 57.652 56.048 -0.074 0.000 1.315 815 H CB 0.092 29.733 29.762 -0.201 0.000 1.380 815 H HN 0.615 nan 8.280 nan 0.000 0.513 816 Y N 0.738 121.156 120.300 0.196 0.000 2.509 816 Y HA -0.103 4.447 4.550 -0.000 0.000 0.293 816 Y C 1.798 177.778 175.900 0.133 0.000 1.133 816 Y CA 0.668 58.848 58.100 0.133 0.000 1.283 816 Y CB 0.414 38.942 38.460 0.113 0.000 1.001 816 Y HN 0.358 nan 8.280 nan 0.000 0.555 817 Q N -0.648 119.310 119.800 0.265 0.000 2.106 817 Q HA 0.464 4.804 4.340 -0.000 0.000 0.273 817 Q C -0.292 175.887 176.000 0.298 0.000 0.853 817 Q CA -0.378 55.580 55.803 0.259 0.000 1.118 817 Q CB 0.416 29.299 28.738 0.242 0.000 1.240 817 Q HN 0.126 nan 8.270 nan 0.000 0.445 818 A N 1.154 124.160 122.820 0.309 0.000 2.351 818 A HA 0.376 4.696 4.320 -0.000 0.000 0.257 818 A C -0.094 177.753 177.584 0.439 0.000 1.087 818 A CA -0.217 52.050 52.037 0.383 0.000 0.798 818 A CB 0.538 19.762 19.000 0.373 0.000 1.033 818 A HN 0.313 nan 8.150 nan 0.000 0.488 819 E N 0.701 121.098 120.200 0.328 0.000 2.156 819 E HA 0.473 4.823 4.350 -0.000 0.000 0.279 819 E C -0.094 176.486 176.600 -0.033 0.000 0.965 819 E CA -0.232 56.276 56.400 0.180 0.000 0.789 819 E CB 1.771 31.543 29.700 0.120 0.000 1.098 819 E HN 0.725 nan 8.360 nan 0.000 0.397 820 A N 2.339 125.005 122.820 -0.257 0.000 2.371 820 A HA 0.604 4.924 4.320 -0.000 0.000 0.257 820 A C -0.255 177.154 177.584 -0.291 0.000 1.089 820 A CA -0.121 51.462 52.037 -0.758 0.000 0.794 820 A CB 0.571 19.063 19.000 -0.847 0.000 1.029 820 A HN 0.561 nan 8.150 nan 0.000 0.488 821 A N 1.890 124.542 122.820 -0.280 0.000 2.375 821 A HA 0.559 4.879 4.320 -0.000 0.000 0.295 821 A C -0.787 176.710 177.584 -0.146 0.000 1.066 821 A CA -0.551 51.409 52.037 -0.128 0.000 0.722 821 A CB 0.756 19.708 19.000 -0.080 0.000 1.206 821 A HN 1.170 nan 8.150 nan 0.000 0.435 822 L N 3.375 124.494 121.223 -0.174 0.000 2.418 822 L HA 0.285 4.625 4.340 -0.000 0.000 0.274 822 L C 0.568 177.302 176.870 -0.227 0.000 1.135 822 L CA 0.028 54.660 54.840 -0.347 0.000 0.870 822 L CB 0.090 41.959 42.059 -0.317 0.000 1.154 822 L HN 0.804 nan 8.230 nan 0.000 0.462 823 L N 3.654 124.735 121.223 -0.237 0.000 2.357 823 L HA 0.225 4.565 4.340 -0.000 0.000 0.211 823 L C 0.472 177.275 176.870 -0.112 0.000 1.075 823 L CA 0.184 54.953 54.840 -0.120 0.000 0.830 823 L CB 0.084 42.107 42.059 -0.061 0.000 0.996 823 L HN 0.800 nan 8.230 nan 0.000 0.467 824 Q N -0.655 119.045 119.800 -0.166 0.000 2.617 824 Q HA 0.295 4.635 4.340 -0.000 0.000 0.270 824 Q C -1.935 173.999 176.000 -0.111 0.000 0.967 824 Q CA -0.762 54.979 55.803 -0.104 0.000 0.887 824 Q CB 2.282 30.991 28.738 -0.049 0.000 1.516 824 Q HN 0.016 nan 8.270 nan 0.000 0.395 825 C N 2.768 122.043 119.300 -0.041 0.000 2.705 825 C HA 0.893 5.353 4.460 -0.000 0.000 0.369 825 C C -1.098 173.957 174.990 0.107 0.000 1.069 825 C CA 0.758 59.790 59.018 0.023 0.000 1.260 825 C CB 0.844 28.594 27.740 0.017 0.000 1.764 825 C HN 0.905 nan 8.230 nan 0.000 0.469 826 T N 2.790 117.373 114.554 0.048 0.000 2.883 826 T HA 0.891 5.241 4.350 -0.000 0.000 0.301 826 T C -0.592 173.954 174.700 -0.256 0.000 1.158 826 T CA -0.062 62.022 62.100 -0.026 0.000 1.007 826 T CB 1.805 70.651 68.868 -0.037 0.000 1.186 826 T HN 1.987 nan 8.240 nan 0.000 0.499 827 A N 1.659 124.204 122.820 -0.458 0.000 2.401 827 A HA 0.841 5.161 4.320 -0.000 0.000 0.310 827 A C -1.236 176.127 177.584 -0.369 0.000 1.075 827 A CA -0.645 51.013 52.037 -0.633 0.000 0.746 827 A CB 1.451 19.654 19.000 -1.327 0.000 1.277 827 A HN 0.894 nan 8.150 nan 0.000 0.425 828 D N 0.290 120.519 120.400 -0.285 0.000 2.736 828 D HA 0.451 5.091 4.640 -0.000 0.000 0.223 828 D C -1.312 174.903 176.300 -0.142 0.000 1.231 828 D CA -0.011 53.884 54.000 -0.174 0.000 0.818 828 D CB 2.437 43.164 40.800 -0.121 0.000 1.587 828 D HN 0.448 nan 8.370 nan 0.000 0.463 829 T N 1.511 116.006 114.554 -0.098 0.000 2.758 829 T HA 0.513 4.863 4.350 -0.000 0.000 0.285 829 T C 0.121 174.792 174.700 -0.049 0.000 0.981 829 T CA -0.584 61.474 62.100 -0.069 0.000 0.965 829 T CB 1.091 69.934 68.868 -0.043 0.000 0.927 829 T HN 0.057 nan 8.240 nan 0.000 0.448 830 L N 1.675 122.870 121.223 -0.047 0.000 2.376 830 L HA 0.679 5.019 4.340 -0.000 0.000 0.267 830 L C 1.807 178.663 176.870 -0.024 0.000 1.035 830 L CA -0.501 54.318 54.840 -0.034 0.000 0.800 830 L CB 0.111 42.148 42.059 -0.036 0.000 1.290 830 L HN 0.721 nan 8.230 nan 0.000 0.462 831 A N -0.170 122.639 122.820 -0.018 0.000 1.933 831 A HA -0.148 4.172 4.320 -0.000 0.000 0.218 831 A C 0.948 178.524 177.584 -0.012 0.000 1.175 831 A CA 2.036 54.066 52.037 -0.012 0.000 0.628 831 A CB -0.707 18.288 19.000 -0.009 0.000 0.814 831 A HN 0.862 nan 8.150 nan 0.000 0.444 832 D N -2.474 117.915 120.400 -0.017 0.000 2.500 832 D HA 0.564 5.204 4.640 -0.000 0.000 0.217 832 D C 0.236 176.520 176.300 -0.026 0.000 1.159 832 D CA 0.660 54.648 54.000 -0.019 0.000 0.828 832 D CB 0.500 41.289 40.800 -0.018 0.000 1.039 832 D HN 0.512 nan 8.370 nan 0.000 0.512 833 A N -0.412 122.388 122.820 -0.033 0.000 2.511 833 A HA 0.619 4.939 4.320 -0.000 0.000 0.293 833 A C -1.750 175.795 177.584 -0.066 0.000 1.098 833 A CA -0.787 51.219 52.037 -0.051 0.000 0.643 833 A CB 0.763 19.731 19.000 -0.054 0.000 1.302 833 A HN -0.015 nan 8.150 nan 0.000 0.446 834 V N 0.309 120.165 119.914 -0.097 0.000 2.547 834 V HA 0.690 4.810 4.120 -0.000 0.000 0.299 834 V C -0.874 175.135 176.094 -0.142 0.000 1.040 834 V CA -0.476 61.748 62.300 -0.127 0.000 0.913 834 V CB 1.358 33.091 31.823 -0.150 0.000 0.992 834 V HN 0.826 nan 8.190 nan 0.000 0.449 835 L N 5.778 126.908 121.223 -0.156 0.000 2.376 835 L HA 0.656 4.996 4.340 -0.000 0.000 0.275 835 L C -0.914 175.836 176.870 -0.200 0.000 0.987 835 L CA -0.069 54.688 54.840 -0.139 0.000 0.828 835 L CB 1.415 43.417 42.059 -0.096 0.000 1.249 835 L HN 0.405 nan 8.230 nan 0.000 0.409 836 I N 3.685 124.148 120.570 -0.179 0.000 2.441 836 I HA 0.530 4.700 4.170 -0.000 0.000 0.295 836 I C -0.046 176.059 176.117 -0.019 0.000 0.994 836 I CA -0.381 60.774 61.300 -0.242 0.000 1.144 836 I CB 1.722 39.364 38.000 -0.596 0.000 1.314 836 I HN 0.525 nan 8.210 nan 0.000 0.445 837 T N 4.521 119.051 114.554 -0.041 0.000 2.879 837 T HA 0.631 4.981 4.350 -0.000 0.000 0.290 837 T C -0.002 174.738 174.700 0.067 0.000 0.993 837 T CA -0.532 61.593 62.100 0.042 0.000 0.975 837 T CB 1.756 70.623 68.868 -0.002 0.000 0.981 837 T HN 0.806 nan 8.240 nan 0.000 0.439 838 T N -0.220 114.418 114.554 0.139 0.000 2.901 838 T HA 0.911 5.261 4.350 -0.000 0.000 0.293 838 T C -1.136 173.631 174.700 0.112 0.000 1.084 838 T CA -1.109 61.056 62.100 0.109 0.000 1.008 838 T CB 2.099 71.117 68.868 0.251 0.000 1.170 838 T HN 0.789 nan 8.240 nan 0.000 0.509 839 A N 1.433 124.243 122.820 -0.016 0.000 2.465 839 A HA 0.713 5.033 4.320 -0.000 0.000 0.292 839 A C -1.492 176.029 177.584 -0.104 0.000 1.041 839 A CA -0.790 51.286 52.037 0.066 0.000 0.718 839 A CB 0.724 19.750 19.000 0.042 0.000 1.266 839 A HN 0.985 nan 8.150 nan 0.000 0.403 840 H N 0.258 119.392 119.070 0.107 0.000 2.797 840 H HA 0.850 5.406 4.556 -0.000 0.000 0.372 840 H C 0.028 175.410 175.328 0.090 0.000 1.168 840 H CA 0.157 56.191 56.048 -0.024 0.000 1.163 840 H CB 2.107 31.729 29.762 -0.234 0.000 1.778 840 H HN 1.015 nan 8.280 nan 0.000 0.551 841 A N 1.332 124.198 122.820 0.076 0.000 2.371 841 A HA 0.468 4.788 4.320 -0.000 0.000 0.311 841 A C -1.414 176.239 177.584 0.115 0.000 1.068 841 A CA -0.722 51.437 52.037 0.203 0.000 0.744 841 A CB 1.209 20.281 19.000 0.119 0.000 1.239 841 A HN 0.582 nan 8.150 nan 0.000 0.435 842 W N 2.222 123.613 121.300 0.151 0.000 2.429 842 W HA 0.420 5.080 4.660 -0.000 0.000 0.314 842 W C -0.315 176.190 176.519 -0.023 0.000 1.062 842 W CA -0.298 57.117 57.345 0.117 0.000 1.211 842 W CB 1.696 31.268 29.460 0.187 0.000 1.305 842 W HN 0.773 nan 8.180 nan 0.000 0.476 843 Q N 1.854 121.783 119.800 0.214 0.000 2.496 843 Q HA 0.479 4.819 4.340 -0.000 0.000 0.286 843 Q C -1.026 175.100 176.000 0.210 0.000 1.103 843 Q CA -0.971 54.913 55.803 0.135 0.000 0.813 843 Q CB 3.499 32.284 28.738 0.079 0.000 1.444 843 Q HN 0.447 nan 8.270 nan 0.000 0.443 844 H N 0.797 119.890 119.070 0.039 0.000 3.240 844 H HA 0.051 4.607 4.556 -0.000 0.000 0.329 844 H C -0.968 174.385 175.328 0.042 0.000 1.024 844 H CA 0.030 56.111 56.048 0.056 0.000 1.487 844 H CB 0.959 30.762 29.762 0.068 0.000 1.909 844 H HN 0.865 nan 8.280 nan 0.000 0.465 845 Q N 3.216 122.801 119.800 -0.358 0.000 2.453 845 Q HA -0.236 4.104 4.340 -0.000 0.000 0.294 845 Q C 0.944 176.900 176.000 -0.074 0.000 1.295 845 Q CA 1.137 56.796 55.803 -0.241 0.000 0.853 845 Q CB -1.465 27.094 28.738 -0.298 0.000 1.193 845 Q HN 1.171 nan 8.270 nan 0.000 0.461 846 G N -0.189 108.589 108.800 -0.037 0.000 2.205 846 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.261 846 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.261 846 G C 0.069 174.977 174.900 0.014 0.000 0.980 846 G CA 0.675 45.772 45.100 -0.006 0.000 0.632 846 G HN 0.378 nan 8.290 nan 0.000 0.533 847 K N 1.226 121.644 120.400 0.030 0.000 2.156 847 K HA 0.620 4.940 4.320 -0.000 0.000 0.271 847 K C -0.133 176.479 176.600 0.020 0.000 0.995 847 K CA -0.123 56.183 56.287 0.032 0.000 0.890 847 K CB 0.861 33.387 32.500 0.044 0.000 1.073 847 K HN 0.011 nan 8.250 nan 0.000 0.454 848 T N 5.735 120.291 114.554 0.002 0.000 2.728 848 T HA 0.231 4.581 4.350 -0.000 0.000 0.296 848 T C 1.095 175.729 174.700 -0.110 0.000 0.940 848 T CA -0.565 61.528 62.100 -0.012 0.000 1.013 848 T CB 0.536 69.419 68.868 0.026 0.000 0.912 848 T HN 0.529 nan 8.240 nan 0.000 0.484 849 L N 1.998 123.038 121.223 -0.304 0.000 2.168 849 L HA 0.354 4.694 4.340 -0.000 0.000 0.203 849 L C -0.070 176.312 176.870 -0.814 0.000 1.078 849 L CA 0.863 55.252 54.840 -0.752 0.000 0.780 849 L CB -0.037 41.103 42.059 -1.532 0.000 0.939 849 L HN 0.526 nan 8.230 nan 0.000 0.451 850 F N -1.085 118.816 119.950 -0.082 0.000 2.626 850 F HA 0.593 5.120 4.527 -0.000 0.000 0.311 850 F C -0.518 175.378 175.800 0.159 0.000 1.088 850 F CA -0.865 57.052 58.000 -0.137 0.000 0.949 850 F CB 1.982 40.565 39.000 -0.694 0.000 1.322 850 F HN -0.326 nan 8.300 nan 0.000 0.461 851 I N 1.421 122.228 120.570 0.394 0.000 2.466 851 I HA 0.405 4.575 4.170 -0.000 0.000 0.289 851 I C -0.887 175.494 176.117 0.440 0.000 1.026 851 I CA -0.573 60.979 61.300 0.421 0.000 1.078 851 I CB 2.227 40.389 38.000 0.271 0.000 1.249 851 I HN 0.569 nan 8.210 nan 0.000 0.429 852 S N 6.714 122.771 115.700 0.594 0.000 2.552 852 S HA 0.605 5.075 4.470 -0.000 0.000 0.314 852 S C -0.769 174.083 174.600 0.420 0.000 1.099 852 S CA -0.671 57.848 58.200 0.532 0.000 1.070 852 S CB 0.791 64.422 63.200 0.719 0.000 0.998 852 S HN 0.583 nan 8.310 nan 0.000 0.474 853 R N 3.435 124.104 120.500 0.282 0.000 2.480 853 R HA 0.556 4.896 4.340 -0.000 0.000 0.306 853 R C -0.755 175.623 176.300 0.130 0.000 0.958 853 R CA -0.776 55.448 56.100 0.206 0.000 0.861 853 R CB 1.929 32.324 30.300 0.157 0.000 1.171 853 R HN 0.550 nan 8.270 nan 0.000 0.445 854 K N 0.672 121.145 120.400 0.122 0.000 2.395 854 K HA 0.558 4.878 4.320 -0.000 0.000 0.245 854 K C -0.727 175.859 176.600 -0.024 0.000 1.017 854 K CA -0.970 55.307 56.287 -0.016 0.000 0.852 854 K CB 2.444 34.887 32.500 -0.095 0.000 1.311 854 K HN 0.623 nan 8.250 nan 0.000 0.452 855 T N -1.415 113.036 114.554 -0.171 0.000 2.952 855 T HA 0.534 4.884 4.350 -0.000 0.000 0.305 855 T C -1.456 173.118 174.700 -0.210 0.000 1.064 855 T CA -0.787 61.264 62.100 -0.082 0.000 1.008 855 T CB 0.430 69.281 68.868 -0.028 0.000 1.078 855 T HN 0.408 nan 8.240 nan 0.000 0.459 856 Y N 1.247 121.528 120.300 -0.032 0.000 2.350 856 Y HA 0.704 5.254 4.550 -0.000 0.000 0.338 856 Y C 0.392 176.239 175.900 -0.088 0.000 0.961 856 Y CA -1.100 56.988 58.100 -0.019 0.000 1.100 856 Y CB 2.015 40.480 38.460 0.009 0.000 1.179 856 Y HN 0.807 nan 8.280 nan 0.000 0.454 857 R N 4.904 125.452 120.500 0.079 0.000 2.483 857 R HA 0.633 4.973 4.340 -0.000 0.000 0.303 857 R C -2.000 174.261 176.300 -0.065 0.000 0.987 857 R CA -0.382 55.710 56.100 -0.013 0.000 0.881 857 R CB 0.836 31.128 30.300 -0.013 0.000 1.177 857 R HN 0.820 nan 8.270 nan 0.000 0.451 858 I N 4.590 125.067 120.570 -0.154 0.000 2.362 858 I HA 0.267 4.437 4.170 -0.000 0.000 0.289 858 I C -0.382 175.635 176.117 -0.167 0.000 0.994 858 I CA -0.944 60.203 61.300 -0.254 0.000 1.158 858 I CB 1.611 39.295 38.000 -0.526 0.000 1.315 858 I HN 0.709 nan 8.210 nan 0.000 0.451 859 D N 4.028 124.360 120.400 -0.113 0.000 2.506 859 D HA 0.296 4.936 4.640 -0.000 0.000 0.254 859 D C 1.232 177.513 176.300 -0.032 0.000 1.089 859 D CA -0.692 53.273 54.000 -0.059 0.000 1.050 859 D CB 0.957 41.738 40.800 -0.032 0.000 1.221 859 D HN 0.500 nan 8.370 nan 0.000 0.589 860 G N -1.222 107.567 108.800 -0.019 0.000 2.498 860 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.219 860 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.219 860 G C 1.171 176.076 174.900 0.008 0.000 1.119 860 G CA 1.078 46.175 45.100 -0.004 0.000 0.766 860 G HN 0.557 nan 8.290 nan 0.000 0.552 861 S N -0.861 114.843 115.700 0.007 0.000 2.593 861 S HA 0.370 4.840 4.470 -0.000 0.000 0.217 861 S C 1.699 176.339 174.600 0.066 0.000 0.966 861 S CA 0.891 59.106 58.200 0.024 0.000 0.914 861 S CB -0.008 63.202 63.200 0.016 0.000 0.776 861 S HN 1.470 nan 8.310 nan 0.000 0.523 862 G N 0.855 109.707 108.800 0.087 0.000 2.160 862 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.244 862 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.244 862 G C -0.356 174.646 174.900 0.171 0.000 1.022 862 G CA -0.004 45.211 45.100 0.192 0.000 0.741 862 G HN 0.623 nan 8.290 nan 0.000 0.508 863 Q N -0.786 119.057 119.800 0.072 0.000 2.274 863 Q HA 0.683 5.023 4.340 -0.000 0.000 0.260 863 Q C 0.059 176.071 176.000 0.020 0.000 0.974 863 Q CA -0.607 55.245 55.803 0.082 0.000 0.876 863 Q CB 1.996 30.783 28.738 0.081 0.000 1.297 863 Q HN 0.391 nan 8.270 nan 0.000 0.446 864 M N 2.017 121.665 119.600 0.081 0.000 2.114 864 M HA 0.566 5.046 4.480 -0.000 0.000 0.332 864 M C -1.514 174.886 176.300 0.167 0.000 1.014 864 M CA -0.513 54.826 55.300 0.064 0.000 0.956 864 M CB 1.105 33.739 32.600 0.056 0.000 1.551 864 M HN 0.756 nan 8.290 nan 0.000 0.427 865 A N 6.974 129.861 122.820 0.111 0.000 2.288 865 A HA 0.772 5.092 4.320 -0.000 0.000 0.320 865 A C -0.892 176.732 177.584 0.066 0.000 1.217 865 A CA -0.695 51.406 52.037 0.106 0.000 0.840 865 A CB 0.550 19.592 19.000 0.070 0.000 1.179 865 A HN 0.908 nan 8.150 nan 0.000 0.504 866 I N 1.457 122.049 120.570 0.037 0.000 2.474 866 I HA 0.462 4.632 4.170 -0.000 0.000 0.294 866 I C -0.179 175.834 176.117 -0.174 0.000 1.005 866 I CA -0.383 60.846 61.300 -0.119 0.000 1.113 866 I CB 2.379 40.325 38.000 -0.090 0.000 1.289 866 I HN 0.491 nan 8.210 nan 0.000 0.436 867 T N 5.033 119.429 114.554 -0.262 0.000 2.841 867 T HA 0.550 4.900 4.350 -0.000 0.000 0.285 867 T C -0.611 173.884 174.700 -0.341 0.000 0.991 867 T CA -0.383 61.564 62.100 -0.256 0.000 0.966 867 T CB 1.865 70.675 68.868 -0.096 0.000 0.962 867 T HN 0.251 nan 8.240 nan 0.000 0.438 868 V N 3.965 123.549 119.914 -0.550 0.000 2.540 868 V HA 0.593 4.713 4.120 -0.000 0.000 0.302 868 V C -0.783 175.141 176.094 -0.284 0.000 1.035 868 V CA -0.913 61.088 62.300 -0.497 0.000 0.873 868 V CB 2.113 33.383 31.823 -0.922 0.000 0.992 868 V HN 0.833 nan 8.190 nan 0.000 0.428 869 D N 3.062 123.464 120.400 0.004 0.000 2.686 869 D HA 0.512 5.152 4.640 -0.000 0.000 0.249 869 D C -1.122 175.308 176.300 0.216 0.000 1.260 869 D CA -0.120 53.984 54.000 0.173 0.000 0.910 869 D CB 2.787 43.720 40.800 0.221 0.000 1.323 869 D HN 0.275 nan 8.370 nan 0.000 0.561 870 V N 1.888 121.967 119.914 0.275 0.000 2.628 870 V HA 0.368 4.488 4.120 -0.000 0.000 0.306 870 V C 0.049 176.292 176.094 0.248 0.000 1.045 870 V CA -0.704 61.766 62.300 0.283 0.000 0.905 870 V CB 2.531 34.546 31.823 0.320 0.000 0.997 870 V HN 0.384 nan 8.190 nan 0.000 0.436 871 E N 1.925 122.258 120.200 0.222 0.000 2.187 871 E HA 0.678 5.028 4.350 -0.000 0.000 0.268 871 E C -1.592 175.133 176.600 0.209 0.000 0.896 871 E CA -0.488 56.023 56.400 0.185 0.000 0.766 871 E CB 2.386 32.180 29.700 0.157 0.000 1.142 871 E HN 0.471 nan 8.360 nan 0.000 0.408 872 V N 2.286 122.322 119.914 0.204 0.000 2.487 872 V HA 0.455 4.575 4.120 -0.000 0.000 0.298 872 V C -0.062 176.133 176.094 0.167 0.000 1.028 872 V CA -1.009 61.435 62.300 0.241 0.000 0.860 872 V CB 1.603 33.590 31.823 0.274 0.000 0.991 872 V HN 0.845 nan 8.190 nan 0.000 0.427 873 A N 3.220 126.109 122.820 0.114 0.000 2.548 873 A HA 0.295 4.615 4.320 -0.000 0.000 0.247 873 A C 1.675 179.337 177.584 0.129 0.000 1.067 873 A CA 0.638 52.725 52.037 0.083 0.000 0.757 873 A CB 0.249 19.265 19.000 0.026 0.000 0.996 873 A HN 1.398 nan 8.150 nan 0.000 0.504 874 S N 1.623 117.391 115.700 0.114 0.000 2.400 874 S HA -0.189 4.281 4.470 -0.000 0.000 0.232 874 S C 0.984 175.669 174.600 0.142 0.000 1.025 874 S CA 1.597 59.878 58.200 0.135 0.000 0.993 874 S CB -0.341 62.914 63.200 0.093 0.000 0.808 874 S HN 0.825 nan 8.310 nan 0.000 0.478 875 D N 0.278 120.739 120.400 0.101 0.000 2.325 875 D HA 0.153 4.793 4.640 -0.000 0.000 0.225 875 D C 0.507 176.857 176.300 0.084 0.000 1.096 875 D CA 0.017 54.063 54.000 0.078 0.000 0.844 875 D CB -0.329 40.500 40.800 0.049 0.000 0.925 875 D HN 0.332 nan 8.370 nan 0.000 0.513 876 T N 0.755 115.389 114.554 0.133 0.000 2.943 876 T HA 0.449 4.799 4.350 -0.000 0.000 0.284 876 T C -2.673 172.161 174.700 0.223 0.000 1.015 876 T CA -2.026 60.180 62.100 0.176 0.000 1.042 876 T CB 1.393 70.380 68.868 0.198 0.000 1.055 876 T HN -0.192 nan 8.240 nan 0.000 0.500 877 P HA 0.192 nan 4.420 nan 0.000 0.271 877 P C -0.640 176.971 177.300 0.518 0.000 1.216 877 P CA -0.235 62.975 63.100 0.183 0.000 0.776 877 P CB 0.149 31.937 31.700 0.146 0.000 0.881 878 H N 2.938 122.352 119.070 0.574 0.000 2.964 878 H HA 0.092 4.648 4.556 -0.000 0.000 0.328 878 H C -1.870 173.804 175.328 0.578 0.000 1.030 878 H CA -1.738 54.597 56.048 0.478 0.000 1.445 878 H CB -0.951 29.027 29.762 0.360 0.000 1.449 878 H HN 0.311 nan 8.280 nan 0.000 0.581 879 P HA 0.089 nan 4.420 nan 0.000 0.274 879 P C 0.386 177.608 177.300 -0.131 0.000 1.231 879 P CA -0.335 62.836 63.100 0.118 0.000 0.790 879 P CB 0.838 32.471 31.700 -0.112 0.000 0.951 880 A N 3.083 125.593 122.820 -0.518 0.000 1.969 880 A HA -0.086 4.234 4.320 -0.000 0.000 0.218 880 A C 1.068 178.282 177.584 -0.618 0.000 1.169 880 A CA 1.467 53.148 52.037 -0.592 0.000 0.635 880 A CB -0.558 17.897 19.000 -0.908 0.000 0.810 880 A HN 0.765 nan 8.150 nan 0.000 0.445 881 R N -2.936 117.238 120.500 -0.543 0.000 2.752 881 R HA 0.704 5.044 4.340 -0.000 0.000 0.277 881 R C -1.888 174.174 176.300 -0.397 0.000 1.024 881 R CA -0.819 54.973 56.100 -0.513 0.000 0.866 881 R CB 0.585 30.516 30.300 -0.614 0.000 1.278 881 R HN 0.026 nan 8.270 nan 0.000 0.473 882 I N 1.058 121.427 120.570 -0.334 0.000 2.540 882 I HA 0.639 4.809 4.170 -0.000 0.000 0.280 882 I C -0.474 175.415 176.117 -0.380 0.000 1.083 882 I CA -0.427 60.684 61.300 -0.315 0.000 1.080 882 I CB 1.790 39.678 38.000 -0.186 0.000 1.205 882 I HN 1.008 nan 8.210 nan 0.000 0.459 883 G N 5.770 114.303 108.800 -0.445 0.000 2.578 883 G HA2 0.732 4.692 3.960 -0.000 0.000 0.302 883 G HA3 0.732 4.692 3.960 -0.000 0.000 0.302 883 G C -1.765 172.962 174.900 -0.288 0.000 1.243 883 G CA -0.535 44.355 45.100 -0.351 0.000 0.843 883 G HN 0.294 nan 8.290 nan 0.000 0.486 884 L N 0.551 121.653 121.223 -0.201 0.000 2.303 884 L HA 0.707 5.047 4.340 -0.000 0.000 0.256 884 L C -0.706 176.061 176.870 -0.171 0.000 1.034 884 L CA -1.123 53.618 54.840 -0.166 0.000 0.832 884 L CB 2.604 44.632 42.059 -0.053 0.000 1.403 884 L HN 0.869 nan 8.230 nan 0.000 0.419 885 N N 0.098 118.726 118.700 -0.120 0.000 2.823 885 N HA 0.671 5.411 4.740 -0.000 0.000 0.251 885 N C -1.342 174.181 175.510 0.022 0.000 1.392 885 N CA -0.535 52.480 53.050 -0.058 0.000 0.864 885 N CB 2.158 40.622 38.487 -0.037 0.000 1.481 885 N HN 0.898 nan 8.380 nan 0.000 0.508 886 C N -1.639 117.716 119.300 0.092 0.000 3.253 886 C HA 0.578 5.038 4.460 -0.000 0.000 0.342 886 C C -1.380 173.536 174.990 -0.123 0.000 1.306 886 C CA -0.833 58.213 59.018 0.047 0.000 1.207 886 C CB 0.938 28.686 27.740 0.013 0.000 1.479 886 C HN 0.882 nan 8.230 nan 0.000 0.469 887 Q N 1.310 120.821 119.800 -0.482 0.000 2.347 887 Q HA 0.684 5.024 4.340 -0.000 0.000 0.262 887 Q C -1.044 174.678 176.000 -0.463 0.000 0.980 887 Q CA -0.442 54.804 55.803 -0.927 0.000 0.867 887 Q CB 0.900 28.711 28.738 -1.545 0.000 1.242 887 Q HN 0.747 nan 8.270 nan 0.000 0.453 888 L N 2.610 123.640 121.223 -0.322 0.000 2.375 888 L HA 0.355 4.695 4.340 -0.000 0.000 0.271 888 L C 1.185 177.962 176.870 -0.155 0.000 1.107 888 L CA -0.342 54.413 54.840 -0.142 0.000 0.806 888 L CB 0.971 43.042 42.059 0.020 0.000 1.146 888 L HN 0.807 nan 8.230 nan 0.000 0.447 889 A N 2.115 124.869 122.820 -0.111 0.000 1.930 889 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 889 A C 1.164 178.713 177.584 -0.059 0.000 1.175 889 A CA 0.879 52.852 52.037 -0.107 0.000 0.627 889 A CB -0.319 18.618 19.000 -0.106 0.000 0.815 889 A HN 0.818 nan 8.150 nan 0.000 0.443 890 Q N -0.528 119.268 119.800 -0.008 0.000 2.368 890 Q HA 0.463 4.803 4.340 -0.000 0.000 0.237 890 Q C -1.141 174.877 176.000 0.030 0.000 0.987 890 Q CA 0.097 55.898 55.803 -0.004 0.000 0.896 890 Q CB 0.966 29.711 28.738 0.013 0.000 1.241 890 Q HN 0.151 nan 8.270 nan 0.000 0.485 891 V N 2.312 122.210 119.914 -0.027 0.000 2.612 891 V HA 0.790 4.910 4.120 -0.000 0.000 0.301 891 V C -0.833 175.210 176.094 -0.084 0.000 1.059 891 V CA -0.142 62.173 62.300 0.026 0.000 0.886 891 V CB 1.152 32.987 31.823 0.021 0.000 1.007 891 V HN 0.951 nan 8.190 nan 0.000 0.426 892 A N 3.238 125.972 122.820 -0.144 0.000 2.389 892 A HA 0.886 5.206 4.320 -0.000 0.000 0.293 892 A C 0.526 178.143 177.584 0.055 0.000 1.186 892 A CA -0.337 51.589 52.037 -0.185 0.000 0.828 892 A CB 1.643 20.329 19.000 -0.524 0.000 1.369 892 A HN 0.735 nan 8.150 nan 0.000 0.446 893 E N -0.235 119.988 120.200 0.038 0.000 2.060 893 E HA 0.071 4.421 4.350 -0.000 0.000 0.189 893 E C 0.615 177.300 176.600 0.142 0.000 0.974 893 E CA 0.990 57.440 56.400 0.083 0.000 0.808 893 E CB 0.142 29.869 29.700 0.045 0.000 0.768 893 E HN 0.538 nan 8.360 nan 0.000 0.453 894 R N -0.534 120.058 120.500 0.154 0.000 2.856 894 R HA 0.610 4.950 4.340 -0.000 0.000 0.258 894 R C -1.042 175.445 176.300 0.312 0.000 1.066 894 R CA -0.901 55.318 56.100 0.198 0.000 1.045 894 R CB 2.071 32.456 30.300 0.142 0.000 1.178 894 R HN -0.142 nan 8.270 nan 0.000 0.499 895 V N 1.444 121.548 119.914 0.317 0.000 2.623 895 V HA 0.325 4.445 4.120 -0.000 0.000 0.304 895 V C -0.710 175.655 176.094 0.452 0.000 1.054 895 V CA -0.967 61.562 62.300 0.382 0.000 0.882 895 V CB 1.920 33.927 31.823 0.307 0.000 1.002 895 V HN 0.741 nan 8.190 nan 0.000 0.424 896 N N 3.965 122.922 118.700 0.428 0.000 2.295 896 N HA 0.571 5.311 4.740 -0.000 0.000 0.293 896 N C -1.454 174.333 175.510 0.463 0.000 1.040 896 N CA -0.396 52.879 53.050 0.374 0.000 0.840 896 N CB 3.027 41.623 38.487 0.182 0.000 1.468 896 N HN 0.832 nan 8.380 nan 0.000 0.478 897 W N 3.008 124.371 121.300 0.104 0.000 3.074 897 W HA 0.611 5.271 4.660 -0.000 0.000 0.332 897 W C -2.167 174.362 176.519 0.016 0.000 1.253 897 W CA -1.066 56.326 57.345 0.079 0.000 1.180 897 W CB 0.725 30.265 29.460 0.134 0.000 1.445 897 W HN 0.247 nan 8.180 nan 0.000 0.573 898 L N 3.769 125.017 121.223 0.042 0.000 2.324 898 L HA 0.910 5.250 4.340 -0.000 0.000 0.274 898 L C -0.049 176.797 176.870 -0.041 0.000 1.012 898 L CA 0.376 55.076 54.840 -0.233 0.000 0.859 898 L CB 0.773 42.742 42.059 -0.150 0.000 1.224 898 L HN 1.026 nan 8.230 nan 0.000 0.429 899 G N 3.665 112.359 108.800 -0.176 0.000 2.393 899 G HA2 0.220 4.180 3.960 -0.000 0.000 0.264 899 G HA3 0.220 4.180 3.960 -0.000 0.000 0.264 899 G C -1.633 173.431 174.900 0.274 0.000 1.221 899 G CA -0.995 44.219 45.100 0.189 0.000 0.912 899 G HN 0.376 nan 8.290 nan 0.000 0.483 900 L N 1.264 122.721 121.223 0.389 0.000 2.331 900 L HA 0.624 4.964 4.340 -0.000 0.000 0.278 900 L C 0.965 177.888 176.870 0.089 0.000 1.106 900 L CA 0.450 55.433 54.840 0.238 0.000 0.824 900 L CB 0.671 42.798 42.059 0.114 0.000 1.142 900 L HN 1.038 nan 8.230 nan 0.000 0.443 901 G N 3.154 111.729 108.800 -0.374 0.000 2.554 901 G HA2 0.400 4.360 3.960 -0.000 0.000 0.306 901 G HA3 0.400 4.360 3.960 -0.000 0.000 0.306 901 G C -2.768 171.276 174.900 -1.427 0.000 1.320 901 G CA -0.304 44.157 45.100 -1.065 0.000 0.800 901 G HN 0.320 nan 8.290 nan 0.000 0.481 902 P HA 0.148 nan 4.420 nan 0.000 0.259 902 P C 0.403 177.486 177.300 -0.361 0.000 1.233 902 P CA 0.311 62.791 63.100 -1.034 0.000 0.827 902 P CB 0.782 32.044 31.700 -0.731 0.000 1.154 903 Q N 0.620 120.219 119.800 -0.335 0.000 2.318 903 Q HA 0.143 4.483 4.340 -0.000 0.000 0.222 903 Q C 0.381 176.257 176.000 -0.206 0.000 1.003 903 Q CA -0.552 55.128 55.803 -0.204 0.000 0.936 903 Q CB 0.695 29.342 28.738 -0.151 0.000 1.204 903 Q HN 0.108 nan 8.270 nan 0.000 0.524 904 E N 1.320 121.414 120.200 -0.178 0.000 2.608 904 E HA -0.128 4.222 4.350 -0.000 0.000 0.259 904 E C -1.180 175.339 176.600 -0.135 0.000 0.951 904 E CA 0.292 56.581 56.400 -0.185 0.000 0.945 904 E CB 0.210 29.873 29.700 -0.063 0.000 0.916 904 E HN 0.568 nan 8.360 nan 0.000 0.477 905 N N 2.806 121.346 118.700 -0.266 0.000 2.308 905 N HA 0.318 5.058 4.740 -0.000 0.000 0.283 905 N C -1.881 173.389 175.510 -0.400 0.000 1.105 905 N CA -0.685 52.258 53.050 -0.178 0.000 0.840 905 N CB 0.723 39.120 38.487 -0.150 0.000 1.633 905 N HN 0.237 nan 8.380 nan 0.000 0.476 906 Y N 0.077 120.286 120.300 -0.153 0.000 2.598 906 Y HA 0.513 5.063 4.550 -0.000 0.000 0.340 906 Y C -1.610 174.221 175.900 -0.116 0.000 1.038 906 Y CA -2.077 55.923 58.100 -0.168 0.000 1.100 906 Y CB 1.721 40.077 38.460 -0.174 0.000 1.281 906 Y HN 0.435 nan 8.280 nan 0.000 0.488 907 P HA -0.188 nan 4.420 nan 0.000 0.216 907 P C 0.413 177.664 177.300 -0.083 0.000 1.154 907 P CA 2.153 65.296 63.100 0.072 0.000 0.865 907 P CB 0.189 32.012 31.700 0.205 0.000 0.789 908 D N -2.151 118.015 120.400 -0.391 0.000 2.358 908 D HA 0.015 4.655 4.640 -0.000 0.000 0.224 908 D C 0.568 176.734 176.300 -0.223 0.000 1.123 908 D CA -0.015 53.550 54.000 -0.724 0.000 0.833 908 D CB -0.228 39.774 40.800 -1.330 0.000 0.946 908 D HN 0.128 nan 8.370 nan 0.000 0.505 909 R N 1.009 121.473 120.500 -0.059 0.000 2.837 909 R HA 0.209 4.549 4.340 -0.000 0.000 0.245 909 R C -0.809 175.525 176.300 0.056 0.000 1.712 909 R CA -0.209 55.909 56.100 0.030 0.000 1.539 909 R CB 0.077 30.396 30.300 0.032 0.000 1.490 909 R HN 0.111 nan 8.270 nan 0.000 0.667 910 L N -1.049 120.217 121.223 0.070 0.000 3.635 910 L HA 0.303 4.643 4.340 -0.000 0.000 0.338 910 L C 1.174 178.105 176.870 0.101 0.000 1.275 910 L CA 0.058 54.936 54.840 0.063 0.000 1.092 910 L CB 0.184 42.264 42.059 0.034 0.000 1.465 910 L HN 0.141 nan 8.230 nan 0.000 0.625 911 T N -2.578 112.064 114.554 0.146 0.000 2.915 911 T HA 0.059 4.409 4.350 -0.000 0.000 0.269 911 T C 1.698 176.492 174.700 0.157 0.000 1.071 911 T CA 1.276 63.490 62.100 0.191 0.000 1.132 911 T CB -0.192 68.827 68.868 0.252 0.000 0.878 911 T HN 0.403 nan 8.240 nan 0.000 0.479 912 A N 1.282 124.197 122.820 0.159 0.000 2.119 912 A HA 0.681 5.001 4.320 -0.000 0.000 0.216 912 A C 1.658 179.338 177.584 0.160 0.000 1.152 912 A CA 0.497 52.588 52.037 0.091 0.000 0.708 912 A CB -0.879 18.290 19.000 0.280 0.000 0.805 912 A HN 0.820 nan 8.150 nan 0.000 0.460 916 D N 3.073 122.865 120.400 -1.015 0.000 3.145 916 D HA 0.310 4.950 4.640 -0.000 0.000 0.345 916 D C -1.539 173.835 176.300 -1.543 0.000 1.391 916 D CA -0.753 52.466 54.000 -1.302 0.000 0.930 916 D CB 2.275 42.256 40.800 -1.364 0.000 1.451 916 D HN 0.622 nan 8.370 nan 0.000 0.555 917 R N 0.563 120.198 120.500 -1.442 0.000 2.255 917 R HA 0.466 4.806 4.340 -0.000 0.000 0.326 917 R C -1.373 174.096 176.300 -1.385 0.000 0.986 917 R CA -0.433 54.974 56.100 -1.155 0.000 0.847 917 R CB 0.577 30.480 30.300 -0.661 0.000 1.111 917 R HN 0.233 nan 8.270 nan 0.000 0.452 918 W N 2.622 123.359 121.300 -0.938 0.000 2.689 918 W HA 0.425 5.085 4.660 -0.000 0.000 0.340 918 W C -0.515 175.619 176.519 -0.642 0.000 1.060 918 W CA -0.665 56.086 57.345 -0.989 0.000 1.218 918 W CB 1.544 29.927 29.460 -1.795 0.000 1.410 918 W HN 0.313 nan 8.180 nan 0.000 0.528 919 D N 2.614 122.963 120.400 -0.086 0.000 2.736 919 D HA 0.521 5.161 4.640 -0.000 0.000 0.243 919 D C -1.286 175.110 176.300 0.160 0.000 1.304 919 D CA -0.129 53.919 54.000 0.080 0.000 0.934 919 D CB 1.214 42.027 40.800 0.021 0.000 1.382 919 D HN 0.401 nan 8.370 nan 0.000 0.571 920 L N 2.532 123.918 121.223 0.272 0.000 2.397 920 L HA 0.570 4.910 4.340 -0.000 0.000 0.251 920 L C -2.521 174.473 176.870 0.206 0.000 1.064 920 L CA -2.175 52.801 54.840 0.227 0.000 0.859 920 L CB 2.683 44.908 42.059 0.277 0.000 1.468 920 L HN 0.149 nan 8.230 nan 0.000 0.411 921 P HA 0.142 nan 4.420 nan 0.000 0.284 921 P C 0.491 177.875 177.300 0.140 0.000 1.253 921 P CA -0.476 62.705 63.100 0.135 0.000 0.800 921 P CB 1.206 32.964 31.700 0.098 0.000 0.961 922 L N 3.690 125.001 121.223 0.148 0.000 2.064 922 L HA -0.310 4.030 4.340 -0.000 0.000 0.216 922 L C 2.224 179.153 176.870 0.098 0.000 1.077 922 L CA 2.827 57.743 54.840 0.126 0.000 0.766 922 L CB -1.518 40.629 42.059 0.146 0.000 0.890 922 L HN 0.456 nan 8.230 nan 0.000 0.435 923 S N -1.524 114.235 115.700 0.097 0.000 2.374 923 S HA -0.225 4.245 4.470 -0.000 0.000 0.227 923 S C 1.653 176.329 174.600 0.127 0.000 1.037 923 S CA 1.349 59.615 58.200 0.110 0.000 1.024 923 S CB -0.928 62.326 63.200 0.090 0.000 0.861 923 S HN 0.543 nan 8.310 nan 0.000 0.456 924 D N 1.263 121.719 120.400 0.093 0.000 2.350 924 D HA 0.061 4.701 4.640 -0.000 0.000 0.216 924 D C 1.246 177.568 176.300 0.037 0.000 0.968 924 D CA 0.633 54.671 54.000 0.063 0.000 0.894 924 D CB -0.230 40.610 40.800 0.067 0.000 0.909 924 D HN 0.390 nan 8.370 nan 0.000 0.520 925 M N -0.377 119.256 119.600 0.055 0.000 2.568 925 M HA 0.065 4.545 4.480 -0.000 0.000 0.226 925 M C -0.114 176.216 176.300 0.049 0.000 1.148 925 M CA 0.028 55.322 55.300 -0.010 0.000 1.007 925 M CB -0.983 31.602 32.600 -0.024 0.000 1.651 925 M HN -0.023 nan 8.290 nan 0.000 0.488 926 Y N -0.445 119.821 120.300 -0.056 0.000 2.425 926 Y HA 0.476 5.026 4.550 -0.000 0.000 0.344 926 Y C -0.855 174.984 175.900 -0.100 0.000 0.969 926 Y CA -0.850 57.223 58.100 -0.044 0.000 1.052 926 Y CB 1.444 39.933 38.460 0.047 0.000 1.215 926 Y HN -0.111 nan 8.280 nan 0.000 0.451 927 T N 8.749 122.797 114.554 -0.843 0.000 2.801 927 T HA 0.273 4.623 4.350 -0.000 0.000 0.306 927 T C -2.651 171.224 174.700 -1.375 0.000 1.020 927 T CA -1.512 59.995 62.100 -0.989 0.000 0.948 927 T CB 0.984 69.365 68.868 -0.812 0.000 0.962 927 T HN 0.447 nan 8.240 nan 0.000 0.465 928 P HA 0.082 nan 4.420 nan 0.000 0.238 928 P C -0.584 176.554 177.300 -0.270 0.000 1.714 928 P CA -0.381 62.298 63.100 -0.701 0.000 0.908 928 P CB -0.838 30.601 31.700 -0.436 0.000 1.893 929 Y N -0.400 119.805 120.300 -0.159 0.000 2.717 929 Y HA -0.098 4.452 4.550 -0.000 0.000 0.330 929 Y C 2.278 178.218 175.900 0.067 0.000 1.217 929 Y CA -0.402 57.682 58.100 -0.027 0.000 1.506 929 Y CB 0.459 38.859 38.460 -0.101 0.000 1.268 929 Y HN -0.113 nan 8.280 nan 0.000 0.561 930 V N 4.044 124.165 119.914 0.344 0.000 2.278 930 V HA -0.330 3.790 4.120 -0.000 0.000 0.251 930 V C 0.629 176.887 176.094 0.274 0.000 1.062 930 V CA 1.608 64.092 62.300 0.306 0.000 1.038 930 V CB -0.534 31.504 31.823 0.359 0.000 0.646 930 V HN 0.608 nan 8.190 nan 0.000 0.447 931 F N 3.480 123.482 119.950 0.088 0.000 2.391 931 F HA 0.496 5.023 4.527 -0.000 0.000 0.359 931 F C -2.326 173.491 175.800 0.029 0.000 1.122 931 F CA -3.150 54.854 58.000 0.007 0.000 1.120 931 F CB 0.944 39.854 39.000 -0.151 0.000 1.142 931 F HN 0.001 nan 8.300 nan 0.000 0.483 932 P HA 0.350 nan 4.420 nan 0.000 0.278 932 P C -1.224 175.855 177.300 -0.368 0.000 1.238 932 P CA -0.192 62.716 63.100 -0.320 0.000 0.794 932 P CB 1.696 33.227 31.700 -0.281 0.000 0.955 933 S N -0.233 115.416 115.700 -0.085 0.000 2.683 933 S HA 0.379 4.849 4.470 -0.000 0.000 0.269 933 S C -0.838 173.779 174.600 0.028 0.000 1.165 933 S CA -0.913 57.277 58.200 -0.018 0.000 0.840 933 S CB 0.227 63.457 63.200 0.050 0.000 1.169 933 S HN 0.357 nan 8.310 nan 0.000 0.490 934 E N 1.303 121.524 120.200 0.034 0.000 2.652 934 E HA 0.323 4.673 4.350 -0.000 0.000 0.255 934 E C -0.086 176.572 176.600 0.096 0.000 0.952 934 E CA 1.091 57.529 56.400 0.064 0.000 0.947 934 E CB -0.492 29.263 29.700 0.092 0.000 0.912 934 E HN 0.788 nan 8.360 nan 0.000 0.489 935 N N 1.586 120.375 118.700 0.148 0.000 3.106 935 N HA 0.522 5.262 4.740 -0.000 0.000 0.253 935 N C 0.384 175.959 175.510 0.108 0.000 1.506 935 N CA -0.659 52.520 53.050 0.215 0.000 0.876 935 N CB 0.591 39.206 38.487 0.213 0.000 1.452 935 N HN 0.647 nan 8.380 nan 0.000 0.542 936 G N -1.366 107.458 108.800 0.040 0.000 2.189 936 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.267 936 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.267 936 G C -0.108 174.558 174.900 -0.389 0.000 0.975 936 G CA 0.559 45.569 45.100 -0.150 0.000 0.644 936 G HN 0.693 nan 8.290 nan 0.000 0.537 937 L N 1.208 122.137 121.223 -0.489 0.000 2.529 937 L HA 0.435 4.775 4.340 -0.000 0.000 0.287 937 L C 0.832 177.138 176.870 -0.940 0.000 1.241 937 L CA 0.526 54.834 54.840 -0.888 0.000 0.857 937 L CB 0.366 41.587 42.059 -1.395 0.000 1.113 937 L HN 0.352 nan 8.230 nan 0.000 0.504 938 R N 3.882 123.737 120.500 -1.076 0.000 2.575 938 R HA 0.489 4.829 4.340 -0.000 0.000 0.293 938 R C -1.155 174.766 176.300 -0.631 0.000 0.983 938 R CA -0.685 54.898 56.100 -0.862 0.000 0.887 938 R CB 0.777 30.539 30.300 -0.896 0.000 1.184 938 R HN 0.569 nan 8.270 nan 0.000 0.445 939 C N -0.226 118.855 119.300 -0.365 0.000 2.354 939 C HA 0.687 5.147 4.460 -0.000 0.000 0.381 939 C C 1.313 176.270 174.990 -0.054 0.000 1.240 939 C CA 0.223 59.117 59.018 -0.208 0.000 2.089 939 C CB 1.101 28.746 27.740 -0.158 0.000 2.234 939 C HN 1.065 nan 8.230 nan 0.000 0.544 940 G N 2.015 110.795 108.800 -0.033 0.000 2.366 940 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.299 940 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.299 940 G C -0.134 174.821 174.900 0.091 0.000 1.020 940 G CA 0.482 45.611 45.100 0.048 0.000 1.026 940 G HN 0.812 nan 8.290 nan 0.000 0.512 941 T N -0.292 114.183 114.554 -0.131 0.000 2.829 941 T HA 0.543 4.893 4.350 -0.000 0.000 0.282 941 T C 1.430 175.807 174.700 -0.539 0.000 0.990 941 T CA -0.604 61.363 62.100 -0.222 0.000 1.028 941 T CB 1.544 70.252 68.868 -0.266 0.000 0.951 941 T HN 0.343 nan 8.240 nan 0.000 0.460 942 R N 1.157 121.566 120.500 -0.151 0.000 2.279 942 R HA 0.267 4.607 4.340 -0.000 0.000 0.195 942 R C 0.439 176.798 176.300 0.099 0.000 0.905 942 R CA 0.144 56.227 56.100 -0.029 0.000 1.044 942 R CB 0.909 31.313 30.300 0.173 0.000 1.056 942 R HN 0.614 nan 8.270 nan 0.000 0.535 943 E N 1.016 121.291 120.200 0.125 0.000 2.321 943 E HA 0.282 4.632 4.350 -0.000 0.000 0.281 943 E C -2.022 174.746 176.600 0.281 0.000 0.910 943 E CA -0.592 55.958 56.400 0.249 0.000 0.770 943 E CB 1.797 31.608 29.700 0.183 0.000 1.225 943 E HN -0.103 nan 8.360 nan 0.000 0.417 944 L N 4.067 125.510 121.223 0.367 0.000 2.410 944 L HA 0.608 4.948 4.340 -0.000 0.000 0.270 944 L C -1.924 175.180 176.870 0.391 0.000 0.983 944 L CA -0.414 54.593 54.840 0.279 0.000 0.822 944 L CB 1.876 43.941 42.059 0.011 0.000 1.285 944 L HN 0.433 nan 8.230 nan 0.000 0.409 945 N N 4.264 123.159 118.700 0.324 0.000 2.399 945 N HA 0.424 5.164 4.740 -0.000 0.000 0.284 945 N C -2.036 173.725 175.510 0.419 0.000 1.025 945 N CA -0.206 53.039 53.050 0.325 0.000 0.885 945 N CB 2.023 40.639 38.487 0.214 0.000 1.339 945 N HN 0.619 nan 8.380 nan 0.000 0.487 946 Y N 1.389 121.859 120.300 0.284 0.000 2.323 946 Y HA 0.438 4.988 4.550 -0.000 0.000 0.322 946 Y C 0.563 176.602 175.900 0.232 0.000 1.133 946 Y CA 0.177 58.429 58.100 0.253 0.000 1.093 946 Y CB 0.600 39.239 38.460 0.300 0.000 1.203 946 Y HN 0.825 nan 8.280 nan 0.000 0.427 947 G N 6.338 115.049 108.800 -0.148 0.000 2.527 947 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.268 947 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.268 947 G C -1.884 172.956 174.900 -0.102 0.000 1.175 947 G CA -0.031 44.960 45.100 -0.181 0.000 0.962 947 G HN 0.547 nan 8.290 nan 0.000 0.560 948 P HA 0.144 nan 4.420 nan 0.000 0.241 948 P C 0.458 177.513 177.300 -0.408 0.000 1.191 948 P CA 0.968 63.889 63.100 -0.299 0.000 0.771 948 P CB -0.058 31.388 31.700 -0.424 0.000 0.929 949 H N -0.275 118.747 119.070 -0.080 0.000 2.505 949 H HA 0.528 5.083 4.556 -0.000 0.000 0.351 949 H C 0.314 175.422 175.328 -0.368 0.000 1.151 949 H CA -0.125 55.760 56.048 -0.272 0.000 1.339 949 H CB 0.830 30.244 29.762 -0.581 0.000 1.483 949 H HN -0.067 nan 8.280 nan 0.000 0.558 950 Q N 2.157 121.703 119.800 -0.423 0.000 2.284 950 Q HA 0.258 4.598 4.340 -0.000 0.000 0.269 950 Q C -1.955 173.804 176.000 -0.403 0.000 1.026 950 Q CA -0.753 54.901 55.803 -0.249 0.000 0.831 950 Q CB 1.757 30.485 28.738 -0.015 0.000 1.322 950 Q HN 0.625 nan 8.270 nan 0.000 0.419 951 W N 3.666 124.971 121.300 0.009 0.000 2.819 951 W HA 0.622 5.282 4.660 -0.000 0.000 0.337 951 W C -0.560 176.057 176.519 0.164 0.000 1.077 951 W CA -0.800 56.518 57.345 -0.045 0.000 1.226 951 W CB 2.205 31.451 29.460 -0.357 0.000 1.419 951 W HN 0.651 nan 8.180 nan 0.000 0.502 952 R N 0.972 121.730 120.500 0.430 0.000 2.725 952 R HA 0.877 5.217 4.340 -0.000 0.000 0.277 952 R C 0.079 176.664 176.300 0.475 0.000 0.987 952 R CA -0.685 55.683 56.100 0.446 0.000 0.901 952 R CB 2.298 32.771 30.300 0.287 0.000 1.207 952 R HN 0.690 nan 8.270 nan 0.000 0.463 953 G N 0.629 109.744 108.800 0.524 0.000 2.534 953 G HA2 0.041 4.001 3.960 -0.000 0.000 0.142 953 G HA3 0.041 4.001 3.960 -0.000 0.000 0.142 953 G C -1.703 173.380 174.900 0.304 0.000 1.178 953 G CA -0.398 44.964 45.100 0.436 0.000 1.037 953 G HN 0.512 nan 8.290 nan 0.000 0.474 954 D N 0.487 121.088 120.400 0.335 0.000 2.330 954 D HA 0.586 5.226 4.640 -0.000 0.000 0.249 954 D C -0.892 175.452 176.300 0.074 0.000 1.306 954 D CA -0.263 53.781 54.000 0.074 0.000 0.956 954 D CB 0.679 41.528 40.800 0.081 0.000 1.261 954 D HN 0.439 nan 8.370 nan 0.000 0.544 955 F N 0.017 119.965 119.950 -0.003 0.000 2.950 955 F HA 0.619 5.146 4.527 -0.000 0.000 0.327 955 F C -1.084 174.684 175.800 -0.055 0.000 1.197 955 F CA -1.012 56.926 58.000 -0.103 0.000 0.954 955 F CB 0.707 39.633 39.000 -0.124 0.000 1.442 955 F HN -0.155 nan 8.300 nan 0.000 0.509 956 Q N 1.353 121.238 119.800 0.141 0.000 2.413 956 Q HA 0.677 5.017 4.340 -0.000 0.000 0.276 956 Q C -1.409 174.679 176.000 0.146 0.000 1.099 956 Q CA -0.543 55.258 55.803 -0.004 0.000 0.814 956 Q CB 2.916 31.522 28.738 -0.219 0.000 1.379 956 Q HN 0.922 nan 8.270 nan 0.000 0.436 957 F N -1.144 118.686 119.950 -0.200 0.000 2.779 957 F HA 0.781 5.308 4.527 -0.000 0.000 0.316 957 F C -1.802 173.790 175.800 -0.347 0.000 1.164 957 F CA -1.007 56.842 58.000 -0.252 0.000 0.924 957 F CB 1.521 40.392 39.000 -0.215 0.000 1.348 957 F HN 0.629 nan 8.300 nan 0.000 0.467 958 N N 1.066 119.636 118.700 -0.216 0.000 2.494 958 N HA 0.723 5.463 4.740 -0.000 0.000 0.270 958 N C -2.165 173.330 175.510 -0.026 0.000 1.285 958 N CA -0.704 52.183 53.050 -0.271 0.000 0.812 958 N CB 2.496 40.813 38.487 -0.283 0.000 1.557 958 N HN 1.156 nan 8.380 nan 0.000 0.487 959 I N 0.248 120.784 120.570 -0.057 0.000 2.685 959 I HA 0.629 4.799 4.170 -0.000 0.000 0.289 959 I C -1.379 174.696 176.117 -0.070 0.000 1.292 959 I CA 0.089 61.335 61.300 -0.090 0.000 1.050 959 I CB 1.341 39.229 38.000 -0.187 0.000 1.301 959 I HN 1.089 nan 8.210 nan 0.000 0.425 960 S N 6.421 122.096 115.700 -0.042 0.000 2.714 960 S HA 0.531 5.001 4.470 -0.000 0.000 0.280 960 S C -0.437 174.107 174.600 -0.094 0.000 1.200 960 S CA -0.949 57.224 58.200 -0.044 0.000 0.900 960 S CB 1.599 64.844 63.200 0.074 0.000 1.235 960 S HN 0.635 nan 8.310 nan 0.000 0.512 961 R N 0.033 120.305 120.500 -0.381 0.000 2.466 961 R HA 0.300 4.640 4.340 -0.000 0.000 0.279 961 R C -1.070 174.882 176.300 -0.579 0.000 0.976 961 R CA 0.166 55.969 56.100 -0.495 0.000 1.081 961 R CB -0.626 29.225 30.300 -0.748 0.000 1.215 961 R HN 0.626 nan 8.270 nan 0.000 0.546 962 Y N 0.160 120.463 120.300 0.005 0.000 2.391 962 Y HA 0.237 4.787 4.550 -0.000 0.000 0.341 962 Y C 0.737 176.403 175.900 -0.390 0.000 0.965 962 Y CA -1.178 56.833 58.100 -0.149 0.000 1.067 962 Y CB 1.498 39.814 38.460 -0.241 0.000 1.199 962 Y HN -0.082 nan 8.280 nan 0.000 0.450 963 S N 1.606 117.001 115.700 -0.510 0.000 2.593 963 S HA 0.065 4.535 4.470 -0.000 0.000 0.269 963 S C 0.851 175.147 174.600 -0.505 0.000 1.334 963 S CA -0.657 56.902 58.200 -1.069 0.000 1.015 963 S CB 1.144 63.760 63.200 -0.972 0.000 0.912 963 S HN 0.768 nan 8.310 nan 0.000 0.541 964 Q N 0.570 120.069 119.800 -0.503 0.000 2.124 964 Q HA -0.185 4.155 4.340 -0.000 0.000 0.202 964 Q C 2.177 178.058 176.000 -0.198 0.000 0.977 964 Q CA 1.638 57.285 55.803 -0.259 0.000 0.850 964 Q CB -0.439 28.182 28.738 -0.195 0.000 0.901 964 Q HN 0.924 nan 8.270 nan 0.000 0.429 965 Q N 0.716 120.374 119.800 -0.236 0.000 2.084 965 Q HA -0.208 4.132 4.340 -0.000 0.000 0.202 965 Q C 2.062 177.986 176.000 -0.127 0.000 0.978 965 Q CA 1.298 57.014 55.803 -0.146 0.000 0.844 965 Q CB 0.037 28.707 28.738 -0.114 0.000 0.898 965 Q HN 0.415 nan 8.270 nan 0.000 0.426 966 Q N 0.111 119.820 119.800 -0.152 0.000 2.030 966 Q HA -0.177 4.163 4.340 -0.000 0.000 0.204 966 Q C 2.359 178.273 176.000 -0.144 0.000 0.986 966 Q CA 1.484 57.215 55.803 -0.121 0.000 0.843 966 Q CB -0.132 28.530 28.738 -0.126 0.000 0.904 966 Q HN 0.459 nan 8.270 nan 0.000 0.420 967 L N 0.085 121.211 121.223 -0.162 0.000 2.042 967 L HA -0.239 4.101 4.340 -0.000 0.000 0.210 967 L C 2.708 179.471 176.870 -0.178 0.000 1.076 967 L CA 1.340 56.073 54.840 -0.178 0.000 0.749 967 L CB -0.412 41.568 42.059 -0.133 0.000 0.893 967 L HN 0.415 nan 8.230 nan 0.000 0.432 968 M N -0.463 119.057 119.600 -0.132 0.000 2.296 968 M HA -0.183 4.297 4.480 -0.000 0.000 0.265 968 M C 1.681 177.916 176.300 -0.108 0.000 1.064 968 M CA 1.679 56.913 55.300 -0.110 0.000 1.109 968 M CB 0.091 32.633 32.600 -0.098 0.000 1.396 968 M HN 0.199 nan 8.290 nan 0.000 0.430 969 E N -0.766 119.372 120.200 -0.102 0.000 2.447 969 E HA 0.053 4.403 4.350 -0.000 0.000 0.195 969 E C -0.219 176.339 176.600 -0.070 0.000 1.028 969 E CA 0.154 56.513 56.400 -0.069 0.000 0.876 969 E CB 0.470 30.143 29.700 -0.045 0.000 0.885 969 E HN 0.337 nan 8.360 nan 0.000 0.500 970 T N 0.557 115.038 114.554 -0.121 0.000 2.799 970 T HA 0.086 4.436 4.350 -0.000 0.000 0.286 970 T C 1.128 175.725 174.700 -0.171 0.000 0.973 970 T CA -0.358 61.669 62.100 -0.122 0.000 1.035 970 T CB 1.618 70.394 68.868 -0.154 0.000 0.932 970 T HN 0.039 nan 8.240 nan 0.000 0.469 971 S N 1.870 117.554 115.700 -0.027 0.000 2.501 971 S HA 0.071 4.541 4.470 -0.000 0.000 0.220 971 S C 0.274 174.907 174.600 0.054 0.000 0.997 971 S CA 0.251 58.480 58.200 0.049 0.000 0.919 971 S CB -0.197 63.199 63.200 0.327 0.000 0.778 971 S HN 0.744 nan 8.310 nan 0.000 0.523 972 H N 0.383 119.441 119.070 -0.019 0.000 2.806 972 H HA 0.512 5.068 4.556 -0.000 0.000 0.367 972 H C 0.939 176.265 175.328 -0.002 0.000 1.136 972 H CA -0.740 55.376 56.048 0.114 0.000 1.178 972 H CB 1.509 31.411 29.762 0.232 0.000 1.718 972 H HN 0.108 nan 8.280 nan 0.000 0.540 973 R N 1.411 122.050 120.500 0.231 0.000 2.117 973 R HA -0.219 4.121 4.340 -0.000 0.000 0.243 973 R C 1.404 177.743 176.300 0.064 0.000 1.143 973 R CA 2.129 58.295 56.100 0.109 0.000 0.968 973 R CB -0.631 29.748 30.300 0.131 0.000 0.863 973 R HN 0.785 nan 8.270 nan 0.000 0.444 974 H N 1.595 120.679 119.070 0.023 0.000 2.489 974 H HA -0.021 4.535 4.556 -0.000 0.000 0.293 974 H C 1.622 176.883 175.328 -0.111 0.000 1.066 974 H CA 1.158 57.172 56.048 -0.058 0.000 1.305 974 H CB -0.283 29.423 29.762 -0.093 0.000 1.386 974 H HN 0.342 nan 8.280 nan 0.000 0.551 975 L N 0.847 121.677 121.223 -0.654 0.000 2.599 975 L HA 0.192 4.532 4.340 -0.000 0.000 0.230 975 L C 0.526 177.305 176.870 -0.152 0.000 1.141 975 L CA -0.077 54.501 54.840 -0.437 0.000 0.877 975 L CB -0.117 41.685 42.059 -0.430 0.000 1.009 975 L HN 0.036 nan 8.230 nan 0.000 0.447 976 L N 0.343 121.470 121.223 -0.159 0.000 2.399 976 L HA 0.323 4.663 4.340 -0.000 0.000 0.266 976 L C 0.109 176.999 176.870 0.033 0.000 1.114 976 L CA -0.459 54.283 54.840 -0.162 0.000 0.804 976 L CB 0.687 42.458 42.059 -0.481 0.000 1.146 976 L HN 0.124 nan 8.230 nan 0.000 0.451 977 H N 0.591 119.745 119.070 0.140 0.000 2.806 977 H HA 0.640 5.196 4.556 -0.000 0.000 0.367 977 H C -0.847 174.585 175.328 0.173 0.000 1.136 977 H CA -1.227 54.908 56.048 0.145 0.000 1.178 977 H CB 1.302 31.087 29.762 0.039 0.000 1.718 977 H HN 0.714 nan 8.280 nan 0.000 0.540 978 A N 2.839 125.692 122.820 0.055 0.000 2.531 978 A HA 0.095 4.415 4.320 -0.000 0.000 0.236 978 A C 0.368 177.921 177.584 -0.052 0.000 1.062 978 A CA -0.070 51.822 52.037 -0.241 0.000 0.760 978 A CB -0.010 18.859 19.000 -0.219 0.000 0.995 978 A HN 0.815 nan 8.150 nan 0.000 0.501 979 E N 0.499 120.623 120.200 -0.127 0.000 2.292 979 E HA 0.131 4.481 4.350 -0.000 0.000 0.258 979 E C 0.709 177.298 176.600 -0.019 0.000 1.115 979 E CA -0.699 55.728 56.400 0.045 0.000 0.929 979 E CB 0.659 30.481 29.700 0.205 0.000 1.161 979 E HN 0.826 nan 8.360 nan 0.000 0.453 980 E N 0.278 120.471 120.200 -0.012 0.000 2.065 980 E HA -0.217 4.133 4.350 -0.000 0.000 0.201 980 E C 0.923 177.454 176.600 -0.114 0.000 1.016 980 E CA 1.767 58.129 56.400 -0.063 0.000 0.818 980 E CB 0.015 29.683 29.700 -0.054 0.000 0.749 980 E HN 0.571 nan 8.360 nan 0.000 0.453 981 G N -1.407 107.274 108.800 -0.198 0.000 3.387 981 G HA2 0.249 4.209 3.960 -0.000 0.000 0.194 981 G HA3 0.249 4.209 3.960 -0.000 0.000 0.194 981 G C -0.642 174.153 174.900 -0.174 0.000 1.417 981 G CA -0.073 44.922 45.100 -0.175 0.000 0.777 981 G HN 0.120 nan 8.290 nan 0.000 0.721 982 T N 0.410 114.850 114.554 -0.189 0.000 2.841 982 T HA 0.397 4.747 4.350 -0.000 0.000 0.285 982 T C -1.583 172.970 174.700 -0.246 0.000 0.991 982 T CA -0.121 61.899 62.100 -0.134 0.000 0.966 982 T CB 1.653 70.547 68.868 0.043 0.000 0.962 982 T HN 0.322 nan 8.240 nan 0.000 0.438 983 W N 3.001 124.214 121.300 -0.145 0.000 2.351 983 W HA 0.636 5.296 4.660 -0.000 0.000 0.311 983 W C -0.414 175.989 176.519 -0.194 0.000 1.168 983 W CA -0.740 56.517 57.345 -0.146 0.000 1.200 983 W CB 0.916 30.300 29.460 -0.126 0.000 1.221 983 W HN 0.338 nan 8.180 nan 0.000 0.519 984 L N 5.496 126.782 121.223 0.106 0.000 2.381 984 L HA 0.485 4.825 4.340 -0.000 0.000 0.274 984 L C -1.070 175.734 176.870 -0.110 0.000 0.988 984 L CA -0.532 54.237 54.840 -0.117 0.000 0.824 984 L CB 1.019 42.878 42.059 -0.333 0.000 1.263 984 L HN 0.329 nan 8.230 nan 0.000 0.410 985 N N 6.915 125.532 118.700 -0.139 0.000 2.443 985 N HA 0.497 5.237 4.740 -0.000 0.000 0.269 985 N C -1.212 174.182 175.510 -0.193 0.000 0.985 985 N CA -0.294 52.664 53.050 -0.154 0.000 0.921 985 N CB 2.308 40.724 38.487 -0.118 0.000 1.195 985 N HN 0.502 nan 8.380 nan 0.000 0.492 986 I N 1.689 122.100 120.570 -0.265 0.000 2.382 986 I HA 0.261 4.431 4.170 -0.000 0.000 0.285 986 I C -0.656 175.299 176.117 -0.271 0.000 1.007 986 I CA -0.615 60.499 61.300 -0.309 0.000 1.142 986 I CB 1.603 39.283 38.000 -0.533 0.000 1.289 986 I HN 0.140 nan 8.210 nan 0.000 0.453 987 D N 4.603 124.874 120.400 -0.215 0.000 2.217 987 D HA 0.307 4.947 4.640 -0.000 0.000 0.243 987 D C 1.020 177.052 176.300 -0.448 0.000 1.054 987 D CA -0.192 53.629 54.000 -0.298 0.000 0.838 987 D CB 2.553 43.270 40.800 -0.138 0.000 1.162 987 D HN 0.709 nan 8.370 nan 0.000 0.472 988 G N 1.245 109.505 108.800 -0.900 0.000 2.430 988 G HA2 0.037 3.997 3.960 -0.000 0.000 0.216 988 G HA3 0.037 3.997 3.960 -0.000 0.000 0.216 988 G C 0.063 174.103 174.900 -1.433 0.000 1.146 988 G CA 0.488 44.774 45.100 -1.357 0.000 0.793 988 G HN 0.386 nan 8.290 nan 0.000 0.537 989 F N -1.809 117.934 119.950 -0.345 0.000 2.654 989 F HA 0.544 5.071 4.527 -0.000 0.000 0.308 989 F C -0.696 175.007 175.800 -0.161 0.000 1.108 989 F CA -1.215 56.666 58.000 -0.199 0.000 0.957 989 F CB 1.978 40.800 39.000 -0.296 0.000 1.309 989 F HN -0.074 nan 8.300 nan 0.000 0.446 990 H N 2.543 121.631 119.070 0.029 0.000 2.954 990 H HA 0.388 4.944 4.556 -0.000 0.000 0.361 990 H C -1.125 174.227 175.328 0.041 0.000 1.122 990 H CA -0.745 55.289 56.048 -0.022 0.000 1.217 990 H CB 2.394 32.122 29.762 -0.056 0.000 1.776 990 H HN 0.864 nan 8.280 nan 0.000 0.533 991 M N 2.767 122.329 119.600 -0.063 0.000 2.250 991 M HA 0.249 4.729 4.480 -0.000 0.000 0.325 991 M C 0.555 176.976 176.300 0.201 0.000 1.084 991 M CA 0.480 55.806 55.300 0.044 0.000 1.161 991 M CB 0.354 32.875 32.600 -0.131 0.000 1.481 991 M HN 0.728 nan 8.290 nan 0.000 0.449 992 G N 2.901 111.793 108.800 0.154 0.000 2.684 992 G HA2 0.325 4.285 3.960 -0.000 0.000 0.255 992 G HA3 0.325 4.285 3.960 -0.000 0.000 0.255 992 G C 0.549 175.427 174.900 -0.036 0.000 1.219 992 G CA -0.285 44.833 45.100 0.030 0.000 0.901 992 G HN 0.993 nan 8.290 nan 0.000 0.548 993 I N -2.472 118.025 120.570 -0.122 0.000 3.939 993 I HA 0.443 4.613 4.170 -0.000 0.000 0.313 993 I C 1.136 177.181 176.117 -0.119 0.000 1.274 993 I CA 0.503 61.704 61.300 -0.165 0.000 1.301 993 I CB -0.360 37.453 38.000 -0.312 0.000 1.105 993 I HN 0.964 nan 8.210 nan 0.000 0.427 994 G N 1.669 110.415 108.800 -0.090 0.000 2.645 994 G HA2 0.039 3.999 3.960 -0.000 0.000 0.239 994 G HA3 0.039 3.999 3.960 -0.000 0.000 0.239 994 G C 0.570 175.456 174.900 -0.022 0.000 1.331 994 G CA 0.122 45.206 45.100 -0.026 0.000 0.890 994 G HN 1.411 nan 8.290 nan 0.000 0.572 995 G N -2.287 106.513 108.800 -0.001 0.000 2.559 995 G HA2 0.046 4.006 3.960 -0.000 0.000 0.202 995 G HA3 0.046 4.006 3.960 -0.000 0.000 0.202 995 G C 0.585 175.514 174.900 0.048 0.000 0.992 995 G CA 0.917 46.022 45.100 0.008 0.000 0.764 995 G HN 0.969 nan 8.290 nan 0.000 0.525 996 D N 1.224 121.665 120.400 0.070 0.000 2.228 996 D HA 0.131 4.771 4.640 -0.000 0.000 0.203 996 D C 0.947 177.240 176.300 -0.012 0.000 0.988 996 D CA 2.111 56.207 54.000 0.160 0.000 0.864 996 D CB 0.130 41.040 40.800 0.184 0.000 0.928 996 D HN 0.846 nan 8.370 nan 0.000 0.469 997 D N -3.801 116.380 120.400 -0.366 0.000 2.694 997 D HA 0.265 4.905 4.640 -0.000 0.000 0.260 997 D C -0.873 174.841 176.300 -0.977 0.000 1.250 997 D CA -0.733 52.585 54.000 -1.138 0.000 0.763 997 D CB 0.761 40.441 40.800 -1.868 0.000 1.311 997 D HN -0.293 nan 8.370 nan 0.000 0.420 998 S N -0.145 114.764 115.700 -1.319 0.000 2.588 998 S HA 0.255 4.725 4.470 -0.000 0.000 0.245 998 S C -0.623 174.041 174.600 0.106 0.000 1.021 998 S CA -0.715 57.341 58.200 -0.239 0.000 1.006 998 S CB -0.617 62.752 63.200 0.281 0.000 0.830 998 S HN 0.597 nan 8.310 nan 0.000 0.468 999 W N 1.120 122.352 121.300 -0.113 0.000 1.832 999 W HA 0.598 5.258 4.660 -0.000 0.000 0.297 999 W C -0.059 176.398 176.519 -0.102 0.000 0.891 999 W CA -0.704 56.569 57.345 -0.120 0.000 2.000 999 W CB -0.577 28.770 29.460 -0.189 0.000 1.081 999 W HN 0.175 nan 8.180 nan 0.000 0.499 1000 S N -1.291 114.308 115.700 -0.167 0.000 2.595 1000 S HA 0.581 5.051 4.470 -0.000 0.000 0.270 1000 S C -3.255 171.275 174.600 -0.117 0.000 1.145 1000 S CA -1.478 56.641 58.200 -0.134 0.000 0.825 1000 S CB 1.510 64.632 63.200 -0.129 0.000 1.107 1000 S HN -0.195 nan 8.310 nan 0.000 0.461 1001 P HA 0.270 nan 4.420 nan 0.000 0.270 1001 P C 0.262 177.592 177.300 0.050 0.000 1.242 1001 P CA -0.108 62.998 63.100 0.010 0.000 0.768 1001 P CB 0.699 32.299 31.700 -0.167 0.000 0.820 1002 S N 1.066 116.827 115.700 0.102 0.000 2.846 1002 S HA 0.169 4.639 4.470 -0.000 0.000 0.249 1002 S C 0.161 174.831 174.600 0.117 0.000 1.028 1002 S CA -0.350 57.886 58.200 0.061 0.000 1.043 1002 S CB -0.260 62.919 63.200 -0.034 0.000 0.990 1002 S HN 0.099 nan 8.310 nan 0.000 0.564 1003 V N 4.144 124.176 119.914 0.198 0.000 2.385 1003 V HA 0.457 4.577 4.120 -0.000 0.000 0.269 1003 V C 0.789 177.042 176.094 0.264 0.000 1.043 1003 V CA -0.395 62.024 62.300 0.197 0.000 0.906 1003 V CB 0.764 32.670 31.823 0.137 0.000 0.995 1003 V HN 0.676 nan 8.190 nan 0.000 0.467 1004 S N 4.674 120.559 115.700 0.309 0.000 2.572 1004 S HA 0.330 4.800 4.470 -0.000 0.000 0.279 1004 S C 1.507 176.267 174.600 0.267 0.000 1.341 1004 S CA 0.033 58.410 58.200 0.296 0.000 1.043 1004 S CB 1.400 64.741 63.200 0.235 0.000 0.887 1004 S HN 1.063 nan 8.310 nan 0.000 0.516 1005 A N 2.148 125.063 122.820 0.158 0.000 1.958 1005 A HA -0.188 4.132 4.320 -0.000 0.000 0.221 1005 A C 1.915 179.509 177.584 0.016 0.000 1.178 1005 A CA 1.969 54.076 52.037 0.117 0.000 0.642 1005 A CB -1.171 17.878 19.000 0.080 0.000 0.816 1005 A HN 0.994 nan 8.150 nan 0.000 0.453 1006 E N -1.212 118.900 120.200 -0.147 0.000 2.409 1006 E HA -0.085 4.265 4.350 -0.000 0.000 0.198 1006 E C 0.778 176.999 176.600 -0.632 0.000 1.024 1006 E CA 0.990 57.134 56.400 -0.428 0.000 0.861 1006 E CB -0.312 28.974 29.700 -0.691 0.000 0.788 1006 E HN 0.793 nan 8.360 nan 0.000 0.521 1007 F N 0.869 120.871 119.950 0.087 0.000 2.678 1007 F HA 0.199 4.726 4.527 -0.000 0.000 0.305 1007 F C 0.668 176.510 175.800 0.071 0.000 1.090 1007 F CA -0.450 57.600 58.000 0.084 0.000 1.272 1007 F CB 0.370 39.418 39.000 0.080 0.000 1.060 1007 F HN -0.159 nan 8.300 nan 0.000 0.576 1008 Q N 1.189 121.109 119.800 0.200 0.000 2.227 1008 Q HA 0.408 4.748 4.340 -0.000 0.000 0.245 1008 Q C -0.225 175.819 176.000 0.073 0.000 0.926 1008 Q CA -0.539 55.367 55.803 0.172 0.000 0.895 1008 Q CB 1.828 30.766 28.738 0.334 0.000 1.230 1008 Q HN 0.236 nan 8.270 nan 0.000 0.450 1009 L N 2.357 123.595 121.223 0.025 0.000 2.422 1009 L HA 0.117 4.457 4.340 -0.000 0.000 0.256 1009 L C 0.612 177.382 176.870 -0.167 0.000 1.202 1009 L CA -0.063 54.750 54.840 -0.045 0.000 1.119 1009 L CB -0.296 41.636 42.059 -0.212 0.000 1.383 1009 L HN 0.732 nan 8.230 nan 0.000 0.411 1010 S N -1.066 114.496 115.700 -0.230 0.000 2.539 1010 S HA 0.115 4.585 4.470 -0.000 0.000 0.221 1010 S C 1.790 176.294 174.600 -0.161 0.000 0.987 1010 S CA 0.219 58.113 58.200 -0.511 0.000 0.929 1010 S CB 0.682 63.636 63.200 -0.410 0.000 0.832 1010 S HN 0.513 nan 8.310 nan 0.000 0.492 1011 A N 1.851 124.622 122.820 -0.080 0.000 2.024 1011 A HA 0.354 4.674 4.320 -0.000 0.000 0.220 1011 A C 2.203 179.631 177.584 -0.259 0.000 1.164 1011 A CA 1.630 53.489 52.037 -0.296 0.000 0.643 1011 A CB -1.401 17.146 19.000 -0.755 0.000 0.806 1011 A HN 1.528 nan 8.150 nan 0.000 0.451 1012 G N -1.861 106.877 108.800 -0.104 0.000 2.363 1012 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.238 1012 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.238 1012 G C 0.423 175.297 174.900 -0.043 0.000 1.062 1012 G CA 0.454 45.549 45.100 -0.009 0.000 0.629 1012 G HN 0.728 nan 8.290 nan 0.000 0.514 1013 R N -0.654 119.655 120.500 -0.319 0.000 2.574 1013 R HA 0.650 4.990 4.340 -0.000 0.000 0.288 1013 R C -1.626 174.332 176.300 -0.569 0.000 1.004 1013 R CA -0.632 55.333 56.100 -0.225 0.000 0.895 1013 R CB 1.581 31.818 30.300 -0.106 0.000 1.191 1013 R HN 0.214 nan 8.270 nan 0.000 0.444 1014 Y N 0.316 120.612 120.300 -0.006 0.000 2.477 1014 Y HA 0.377 4.927 4.550 -0.000 0.000 0.347 1014 Y C -0.370 175.702 175.900 0.287 0.000 0.981 1014 Y CA -0.899 57.193 58.100 -0.014 0.000 1.033 1014 Y CB 2.169 40.444 38.460 -0.308 0.000 1.245 1014 Y HN 0.591 nan 8.280 nan 0.000 0.455 1015 H N 2.600 121.970 119.070 0.500 0.000 2.771 1015 H HA 0.643 5.199 4.556 -0.000 0.000 0.361 1015 H C -1.743 173.955 175.328 0.618 0.000 1.108 1015 H CA -0.981 55.327 56.048 0.434 0.000 1.201 1015 H CB 1.321 31.229 29.762 0.242 0.000 1.681 1015 H HN 0.597 nan 8.280 nan 0.000 0.534 1016 Y N 1.277 121.278 120.300 -0.499 0.000 2.656 1016 Y HA 0.526 5.076 4.550 -0.000 0.000 0.334 1016 Y C -2.008 173.684 175.900 -0.346 0.000 1.179 1016 Y CA -1.096 56.825 58.100 -0.297 0.000 1.050 1016 Y CB 1.309 39.712 38.460 -0.095 0.000 1.308 1016 Y HN 0.701 nan 8.280 nan 0.000 0.456 1017 Q N 2.773 122.547 119.800 -0.044 0.000 2.416 1017 Q HA 0.805 5.145 4.340 -0.000 0.000 0.281 1017 Q C -1.928 174.139 176.000 0.111 0.000 1.067 1017 Q CA -1.125 54.655 55.803 -0.040 0.000 0.809 1017 Q CB 3.650 32.406 28.738 0.031 0.000 1.418 1017 Q HN 0.770 nan 8.270 nan 0.000 0.411 1018 L N 0.824 122.095 121.223 0.079 0.000 2.465 1018 L HA 0.695 5.035 4.340 -0.000 0.000 0.257 1018 L C -1.513 175.464 176.870 0.178 0.000 0.988 1018 L CA -1.132 53.792 54.840 0.140 0.000 0.827 1018 L CB 2.809 44.924 42.059 0.094 0.000 1.397 1018 L HN 0.475 nan 8.230 nan 0.000 0.410 1019 V N 1.425 121.478 119.914 0.233 0.000 2.531 1019 V HA 0.484 4.604 4.120 -0.000 0.000 0.301 1019 V C -1.040 175.250 176.094 0.326 0.000 1.034 1019 V CA -0.452 62.002 62.300 0.257 0.000 0.865 1019 V CB 2.137 34.083 31.823 0.205 0.000 0.995 1019 V HN 0.638 nan 8.190 nan 0.000 0.424 1023 K N 0.000 120.337 120.400 -0.106 0.000 2.780 1023 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1023 K CA 0.000 56.245 56.287 -0.070 0.000 0.838 1023 K CB 0.000 32.468 32.500 -0.053 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543