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_E 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 0.791 175.528 174.700 0.062 0.000 1.118 4 T CA 0.998 63.117 62.100 0.031 0.000 1.058 4 T CB -0.467 68.416 68.868 0.026 0.000 0.953 4 T HN 0.313 nan 8.240 nan 0.000 0.515 5 D N 2.304 122.797 120.400 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 0.000 41.050 40.800 0.417 0.000 0.913 5 D HN 0.564 nan 8.370 nan 0.000 0.523 6 S N 0.310 116.094 115.700 0.139 0.000 2.549 6 S HA 0.046 4.516 4.470 0.000 0.000 0.283 6 S C 1.373 176.021 174.600 0.080 0.000 1.320 6 S CA -0.649 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 4.147 125.401 121.223 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 57.477 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 -0.238 4.082 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 2.435 54.475 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 1.720 63.985 62.300 -0.058 0.000 1.013 9 V CB -0.393 31.400 31.823 -0.050 0.000 0.652 9 V HN 0.368 nan 8.190 nan 0.000 0.452 10 V N 0.686 120.501 119.914 -0.165 0.000 2.231 10 V HA -0.306 3.814 4.120 0.000 0.000 0.250 10 V C 2.187 178.169 176.094 -0.188 0.000 1.058 10 V CA 2.343 64.435 62.300 -0.346 0.000 1.022 10 V CB -0.757 30.799 31.823 -0.444 0.000 0.640 10 V HN 0.494 nan 8.190 nan 0.000 0.445 11 L N 0.351 121.567 121.223 -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 55.789 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 0.432 nan 8.230 nan 0.000 0.451 12 Q N 1.043 120.843 119.800 -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 1.492 57.275 55.803 -0.034 0.000 0.840 12 Q CB -0.044 28.662 28.738 -0.054 0.000 0.898 12 Q HN 0.223 nan 8.270 nan 0.000 0.430 13 R N 0.371 120.790 120.500 -0.136 0.000 2.105 13 R HA -0.007 4.333 4.340 0.000 0.000 0.239 13 R C 0.341 176.445 176.300 -0.327 0.000 1.135 13 R CA 1.161 57.145 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 0.746 120.939 120.500 -0.511 0.000 3.261 14 R HA -0.126 4.214 4.340 0.000 0.000 0.257 14 R C -0.050 175.695 176.300 -0.926 0.000 1.014 14 R CA 0.412 55.735 56.100 -1.296 0.000 0.681 14 R CB -1.208 28.541 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 1.605 177.850 176.300 -0.093 0.000 0.986 15 D CA 1.843 55.630 54.000 -0.353 0.000 0.847 15 D CB -0.153 40.231 40.800 -0.692 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 0.456 177.090 176.519 0.190 0.000 1.322 16 W CA -0.116 57.366 57.345 0.229 0.000 1.593 16 W CB -0.245 29.380 29.460 0.274 0.000 1.122 16 W HN -0.166 nan 8.180 nan 0.000 0.710 17 E N 0.945 120.974 120.200 -0.284 0.000 2.995 17 E HA 0.058 4.408 4.350 0.000 0.000 0.203 17 E C -0.774 175.719 176.600 -0.180 0.000 0.980 17 E CA -0.224 56.091 56.400 -0.141 0.000 1.172 17 E CB -0.179 29.474 29.700 -0.079 0.000 1.088 17 E HN 0.093 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 -2.242 173.149 175.510 -0.197 0.000 1.156 18 N CA -1.950 50.980 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 63.833 63.100 -0.541 0.000 0.800 19 P CB 0.132 31.064 31.700 -1.279 0.000 0.772 20 G N -0.596 108.019 108.800 -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 45.181 45.100 -0.211 0.000 0.784 20 G HN 0.239 nan 8.290 nan 0.000 0.543 21 V N 1.225 121.091 119.914 -0.080 0.000 2.350 21 V HA 0.401 4.521 4.120 0.000 0.000 0.285 21 V C 0.854 177.017 176.094 0.114 0.000 1.014 21 V CA 0.183 62.492 62.300 0.014 0.000 0.831 21 V CB 1.308 33.135 31.823 0.006 0.000 1.000 21 V HN 0.299 nan 8.190 nan 0.000 0.433 22 T N 0.755 115.364 114.554 0.091 0.000 3.003 22 T HA 0.354 4.704 4.350 0.000 0.000 0.261 22 T C 0.236 174.962 174.700 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 0.395 120.267 119.800 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 0.100 0.000 0.766 23 Q CB 0.980 29.700 28.738 -0.030 0.000 1.467 23 Q HN 0.239 nan 8.270 nan 0.000 0.415 24 L N 1.732 123.103 121.223 0.247 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 54.161 54.840 0.270 0.000 0.866 24 L CB 1.919 44.242 42.059 0.440 0.000 1.248 24 L HN 0.858 nan 8.230 nan 0.000 0.404 25 N N 0.885 119.684 118.700 0.165 0.000 2.741 25 N HA -0.219 4.521 4.740 0.000 0.000 0.251 25 N C 0.180 175.769 175.510 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 1.164 121.615 120.500 -0.081 0.000 2.390 26 R HA 0.401 4.741 4.340 0.000 0.000 0.291 26 R C 0.772 176.901 176.300 -0.286 0.000 1.070 26 R CA -0.442 55.341 56.100 -0.529 0.000 1.014 26 R CB 0.611 30.602 30.300 -0.515 0.000 1.007 26 R HN 0.110 nan 8.270 nan 0.000 0.466 27 L N 2.573 123.614 121.223 -0.303 0.000 2.456 27 L HA 0.280 4.620 4.340 0.000 0.000 0.246 27 L C 0.750 177.576 176.870 -0.073 0.000 1.238 27 L CA -0.510 54.264 54.840 -0.111 0.000 0.826 27 L CB 0.229 42.265 42.059 -0.039 0.000 1.150 27 L HN 0.739 nan 8.230 nan 0.000 0.514 28 A N 0.243 123.069 122.820 0.010 0.000 2.322 28 A HA 0.615 4.935 4.320 0.000 0.000 0.269 28 A C 0.106 177.753 177.584 0.105 0.000 1.094 28 A CA -0.175 51.885 52.037 0.039 0.000 0.807 28 A CB 0.545 19.585 19.000 0.067 0.000 1.047 28 A HN 0.758 nan 8.150 nan 0.000 0.487 29 A N 0.829 123.665 122.820 0.027 0.000 2.332 29 A HA 0.691 5.011 4.320 0.000 0.000 0.258 29 A C 0.066 177.645 177.584 -0.008 0.000 1.087 29 A CA 0.567 52.562 52.037 -0.071 0.000 0.802 29 A CB -0.114 18.815 19.000 -0.118 0.000 1.042 29 A HN 2.035 nan 8.150 nan 0.000 0.489 30 H N -2.447 116.536 119.070 -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 -1.510 54.408 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 -2.609 174.402 177.300 -0.482 0.000 1.240 31 P CA -1.524 61.348 63.100 -0.380 0.000 0.791 31 P CB -0.407 31.056 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 31.515 31.700 -0.006 0.000 0.785 33 F N 1.236 121.317 119.950 0.217 0.000 2.538 33 F HA 0.597 5.124 4.527 0.000 0.000 0.325 33 F C 1.139 176.917 175.800 -0.036 0.000 1.066 33 F CA -0.962 57.112 58.000 0.123 0.000 0.946 33 F CB 1.996 41.030 39.000 0.057 0.000 1.199 33 F HN 0.223 nan 8.300 nan 0.000 0.473 34 A N 0.255 123.094 122.820 0.032 0.000 2.140 34 A HA 0.274 4.594 4.320 0.000 0.000 0.199 34 A C 0.880 178.251 177.584 -0.355 0.000 1.416 34 A CA 0.611 52.401 52.037 -0.410 0.000 1.018 34 A CB -0.065 18.117 19.000 -1.363 0.000 1.117 34 A HN 0.820 nan 8.150 nan 0.000 0.480 35 S N -0.595 115.008 115.700 -0.161 0.000 3.748 35 S HA -0.131 4.339 4.470 0.000 0.000 0.329 35 S C 0.018 174.596 174.600 -0.036 0.000 1.104 35 S CA 0.388 58.522 58.200 -0.110 0.000 0.954 35 S CB -1.847 61.254 63.200 -0.164 0.000 0.910 35 S HN 0.504 nan 8.310 nan 0.000 0.494 36 W N 1.121 122.425 121.300 0.007 0.000 2.226 36 W HA 0.116 4.776 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 -0.009 57.345 57.345 0.014 0.000 1.305 36 W CB 0.104 29.572 29.460 0.013 0.000 1.193 36 W HN 0.354 nan 8.180 nan 0.000 0.596 37 R N 1.222 121.891 120.500 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 0.162 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 0.901 119.703 118.700 0.170 0.000 2.454 38 N HA -0.011 4.729 4.740 0.000 0.000 0.291 38 N C 0.584 176.082 175.510 -0.021 0.000 1.079 38 N CA 0.168 53.262 53.050 0.073 0.000 0.893 38 N CB 2.110 40.634 38.487 0.062 0.000 1.512 38 N HN -0.080 nan 8.380 nan 0.000 0.497 39 S N 3.253 118.920 115.700 -0.055 0.000 2.369 39 S HA -0.218 4.252 4.470 0.000 0.000 0.225 39 S C 1.298 175.748 174.600 -0.249 0.000 1.043 39 S CA 1.341 59.462 58.200 -0.132 0.000 1.074 39 S CB -0.332 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 1.248 121.331 120.200 -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 1.687 57.941 56.400 -0.243 0.000 0.812 40 E CB -0.621 28.986 29.700 -0.155 0.000 0.743 40 E HN 0.778 nan 8.360 nan 0.000 0.453 41 E N 0.212 120.272 120.200 -0.233 0.000 2.038 41 E HA -0.193 4.157 4.350 0.000 0.000 0.195 41 E C 2.055 178.234 176.600 -0.700 0.000 1.000 41 E CA 1.167 57.439 56.400 -0.213 0.000 0.803 41 E CB -0.157 29.602 29.700 0.098 0.000 0.750 41 E HN 0.232 nan 8.360 nan 0.000 0.448 42 A N 1.580 123.585 122.820 -1.357 0.000 1.877 42 A HA -0.236 4.084 4.320 0.000 0.000 0.216 42 A C 2.121 179.064 177.584 -1.068 0.000 1.186 42 A CA 1.802 52.487 52.037 -2.254 0.000 0.620 42 A CB -0.581 17.533 19.000 -1.476 0.000 0.822 42 A HN 0.136 nan 8.150 nan 0.000 0.443 43 R N -0.107 119.991 120.500 -0.670 0.000 2.127 43 R HA -0.135 4.205 4.340 0.000 0.000 0.238 43 R C 1.451 177.509 176.300 -0.403 0.000 1.134 43 R CA 2.070 57.863 56.100 -0.512 0.000 0.975 43 R CB -0.419 29.522 30.300 -0.598 0.000 0.865 43 R HN 0.592 nan 8.270 nan 0.000 0.447 44 T N -2.781 111.563 114.554 -0.350 0.000 3.134 44 T HA 0.122 4.472 4.350 0.000 0.000 0.260 44 T C -0.006 174.637 174.700 -0.096 0.000 1.027 44 T CA 0.121 62.102 62.100 -0.198 0.000 0.913 44 T CB 0.264 69.040 68.868 -0.154 0.000 1.046 44 T HN 0.272 nan 8.240 nan 0.000 0.553 45 D N 1.477 121.797 120.400 -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 0.504 nan 8.370 nan 0.000 0.430 46 R N -0.365 120.300 120.500 0.276 0.000 2.745 46 R HA 0.560 4.900 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 55.344 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 0.136 nan 8.270 nan 0.000 0.571 47 P HA 0.153 nan 4.420 nan 0.000 0.301 47 P C -0.986 176.359 177.300 0.074 0.000 1.337 47 P CA -0.421 62.772 63.100 0.155 0.000 0.889 47 P CB 1.682 33.443 31.700 0.102 0.000 1.050 48 S N 1.840 117.443 115.700 -0.163 0.000 2.508 48 S HA 0.133 4.603 4.470 0.000 0.000 0.284 48 S C 1.048 175.609 174.600 -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 63.359 63.200 -0.725 0.000 1.004 48 S HN 0.320 nan 8.310 nan 0.000 0.493 49 Q N 2.345 122.162 119.800 0.029 0.000 2.369 49 Q HA -0.052 4.288 4.340 0.000 0.000 0.206 49 Q C 0.925 177.069 176.000 0.240 0.000 0.963 49 Q CA 0.522 56.401 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 0.529 120.399 119.800 0.116 0.000 2.444 50 Q HA 0.116 4.456 4.340 0.000 0.000 0.206 50 Q C 0.148 176.199 176.000 0.085 0.000 0.948 50 Q CA 0.224 56.074 55.803 0.078 0.000 0.946 50 Q CB -0.055 28.625 28.738 -0.096 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 0.116 0.000 2.343 51 L HA 0.481 4.821 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 1.532 43.565 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 0.469 4.809 4.340 0.000 0.000 0.293 52 R C -1.045 175.288 176.300 0.055 0.000 0.983 52 R CA -0.544 55.626 56.100 0.116 0.000 0.887 52 R CB 2.269 32.653 30.300 0.140 0.000 1.184 52 R HN 0.707 nan 8.270 nan 0.000 0.445 53 S N 3.146 118.866 115.700 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 3.489 124.736 121.223 0.039 0.000 2.910 54 L HA 0.299 4.639 4.340 0.000 0.000 0.252 54 L C 0.082 177.154 176.870 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 1.694 120.511 118.700 0.194 0.000 2.513 55 N HA 0.481 5.221 4.740 0.000 0.000 0.268 55 N C 0.640 176.296 175.510 0.243 0.000 1.180 55 N CA 0.757 53.919 53.050 0.188 0.000 0.948 55 N CB 1.791 40.319 38.487 0.069 0.000 1.083 55 N HN 0.337 nan 8.380 nan 0.000 0.455 56 G N 0.922 109.906 108.800 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 -1.378 173.777 174.900 0.424 0.000 1.287 56 G CA -0.765 44.504 45.100 0.282 0.000 0.982 56 G HN 0.452 nan 8.290 nan 0.000 0.471 57 E N -0.412 119.979 120.200 0.320 0.000 2.338 57 E HA 0.516 4.866 4.350 0.000 0.000 0.272 57 E C -1.061 175.791 176.600 0.420 0.000 1.029 57 E CA 0.037 56.626 56.400 0.314 0.000 0.872 57 E CB 0.774 30.574 29.700 0.167 0.000 1.015 57 E HN 0.389 nan 8.360 nan 0.000 0.417 58 W N 1.399 122.773 121.300 0.125 0.000 3.038 58 W HA 0.408 5.068 4.660 0.000 0.000 0.347 58 W C -0.570 176.050 176.519 0.169 0.000 1.219 58 W CA -0.689 56.759 57.345 0.171 0.000 1.142 58 W CB 1.004 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 0.642 4.982 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 1.989 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 1.127 121.076 119.950 -0.002 0.000 2.563 60 F HA 0.698 5.225 4.527 0.000 0.000 0.316 60 F C -1.385 174.265 175.800 -0.250 0.000 1.076 60 F CA -0.683 57.173 58.000 -0.240 0.000 0.921 60 F CB 2.088 40.802 39.000 -0.477 0.000 1.209 60 F HN 0.657 nan 8.300 nan 0.000 0.462 61 A N 4.475 126.338 122.820 -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 50.783 52.037 -1.224 0.000 0.694 61 A CB 0.524 19.219 19.000 -0.509 0.000 1.277 61 A HN 0.968 nan 8.150 nan 0.000 0.400 62 W N 2.646 123.170 121.300 -1.294 0.000 2.551 62 W HA 0.779 5.439 4.660 0.000 0.000 0.330 62 W C -1.901 174.141 176.519 -0.795 0.000 1.063 62 W CA -0.439 56.365 57.345 -0.902 0.000 1.222 62 W CB 1.205 30.321 29.460 -0.574 0.000 1.349 62 W HN 0.494 nan 8.180 nan 0.000 0.536 63 F N 5.788 125.093 119.950 -1.075 0.000 2.578 63 F HA 0.335 4.862 4.527 0.000 0.000 0.311 63 F C -1.389 173.538 175.800 -1.455 0.000 1.094 63 F CA -2.668 54.818 58.000 -0.857 0.000 0.923 63 F CB 1.479 40.157 39.000 -0.537 0.000 1.230 63 F HN 0.193 nan 8.300 nan 0.000 0.450 64 P HA 0.026 nan 4.420 nan 0.000 0.225 64 P C -0.184 177.015 177.300 -0.167 0.000 1.148 64 P CA 1.118 64.036 63.100 -0.304 0.000 0.779 64 P CB 0.548 32.317 31.700 0.115 0.000 0.780 65 A N -1.244 121.479 122.820 -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 -0.171 0.000 1.055 65 A CA -1.003 50.970 52.037 -0.107 0.000 0.683 65 A CB 0.488 19.488 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 0.891 178.080 177.300 -0.185 0.000 1.153 66 P CA 1.774 64.725 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 0.710 120.866 120.200 -0.073 0.000 2.070 67 E HA -0.167 4.183 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 58.141 56.400 -0.031 0.000 0.805 67 E CB -1.285 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 1.113 123.899 122.820 -0.057 0.000 2.139 68 A HA -0.098 4.222 4.320 0.000 0.000 0.221 68 A C 0.994 178.466 177.584 -0.188 0.000 1.159 68 A CA 0.560 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 1.968 121.597 119.914 -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 -1.198 60.654 62.300 -0.747 0.000 1.095 69 V CB 0.637 31.900 31.823 -0.933 0.000 0.952 69 V HN 0.352 nan 8.190 nan 0.000 0.485 70 P HA 0.337 nan 4.420 nan 0.000 0.296 70 P C 0.390 177.680 177.300 -0.016 0.000 1.306 70 P CA -0.547 62.523 63.100 -0.050 0.000 0.818 70 P CB 1.640 33.356 31.700 0.027 0.000 0.969 71 E N 1.871 122.054 120.200 -0.029 0.000 2.169 71 E HA -0.232 4.118 4.350 0.000 0.000 0.202 71 E C 1.634 178.202 176.600 -0.053 0.000 1.016 71 E CA 2.414 58.786 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 -0.231 115.461 115.700 -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 1.047 59.237 58.200 -0.016 0.000 0.993 72 S CB -0.734 62.480 63.200 0.024 0.000 0.808 72 S HN 0.546 nan 8.310 nan 0.000 0.478 73 W N 2.730 123.941 121.300 -0.149 0.000 2.308 73 W HA -0.177 4.483 4.660 0.000 0.000 0.301 73 W C 1.594 177.995 176.519 -0.196 0.000 1.220 73 W CA 1.044 58.290 57.345 -0.165 0.000 1.240 73 W CB -0.666 28.664 29.460 -0.216 0.000 1.142 73 W HN 0.252 nan 8.180 nan 0.000 0.521 74 L N 0.046 120.961 121.223 -0.513 0.000 2.083 74 L HA -0.214 4.126 4.340 0.000 0.000 0.209 74 L C 2.620 179.205 176.870 -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 40.971 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 0.512 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 1.546 120.770 119.300 -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 -1.326 57.654 59.018 -0.064 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 1.195 121.607 120.400 0.021 0.000 2.378 77 D HA 0.238 4.878 4.640 0.000 0.000 0.238 77 D C -0.048 176.329 176.300 0.128 0.000 1.180 77 D CA 0.420 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 2.232 123.556 121.223 0.168 0.000 2.439 78 L HA 0.203 4.543 4.340 0.000 0.000 0.259 78 L C -1.108 175.802 176.870 0.065 0.000 1.129 78 L CA -1.567 53.342 54.840 0.115 0.000 0.803 78 L CB 0.584 42.712 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 0.159 31.871 31.700 0.020 0.000 0.786 80 E N 0.037 120.240 120.200 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 -0.682 28.991 29.700 -0.045 0.000 0.939 80 E HN 0.207 nan 8.360 nan 0.000 0.503 81 A N 1.132 123.951 122.820 -0.001 0.000 2.351 81 A HA 0.207 4.527 4.320 0.000 0.000 0.257 81 A C -0.094 177.514 177.584 0.040 0.000 1.087 81 A CA -0.426 51.611 52.037 -0.001 0.000 0.798 81 A CB 0.490 19.518 19.000 0.046 0.000 1.033 81 A HN 0.061 nan 8.150 nan 0.000 0.488 82 D N 0.003 120.448 120.400 0.075 0.000 2.299 82 D HA 0.433 5.073 4.640 0.000 0.000 0.243 82 D C -0.746 175.639 176.300 0.143 0.000 0.982 82 D CA -0.099 53.976 54.000 0.125 0.000 0.924 82 D CB 1.741 42.669 40.800 0.214 0.000 1.238 82 D HN 0.418 nan 8.370 nan 0.000 0.484 83 T N 0.873 115.498 114.554 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 -0.388 61.788 62.100 0.127 0.000 1.035 83 T CB 1.051 69.977 68.868 0.096 0.000 0.932 83 T HN 0.059 nan 8.240 nan 0.000 0.469 84 V N 3.250 123.259 119.914 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 2.386 122.364 119.914 0.108 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 -0.379 61.994 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 7.043 126.952 119.914 -0.008 0.000 2.540 86 V HA 0.518 4.638 4.120 0.000 0.000 0.302 86 V C -2.245 173.758 176.094 -0.152 0.000 1.035 86 V CA -1.570 60.604 62.300 -0.210 0.000 0.873 86 V CB 2.657 34.025 31.823 -0.759 0.000 0.992 86 V HN 0.797 nan 8.190 nan 0.000 0.428 87 P HA 0.656 nan 4.420 nan 0.000 0.281 87 P C -0.990 176.266 177.300 -0.072 0.000 1.264 87 P CA -0.372 62.636 63.100 -0.154 0.000 0.824 87 P CB 1.846 33.456 31.700 -0.150 0.000 1.092 88 S N -0.557 115.125 115.700 -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 -0.996 57.185 58.200 -0.032 0.000 0.821 88 S CB 0.005 63.212 63.200 0.011 0.000 1.099 88 S HN 0.366 nan 8.310 nan 0.000 0.471 89 N N 0.981 119.590 118.700 -0.151 0.000 2.392 89 N HA 0.469 5.209 4.740 0.000 0.000 0.283 89 N C 0.387 175.768 175.510 -0.214 0.000 1.003 89 N CA -0.733 52.192 53.050 -0.207 0.000 0.892 89 N CB 0.795 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 0.863 177.369 176.519 -0.022 0.000 1.225 90 W CA 0.902 58.145 57.345 -0.170 0.000 1.233 90 W CB -0.369 28.906 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 -0.040 0.000 0.976 91 Q CA 1.519 57.343 55.803 0.035 0.000 0.875 91 Q CB -0.685 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 1.230 56.394 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 -1.756 117.374 119.070 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 0.101 56.181 56.048 0.054 0.000 1.097 93 H CB 0.541 30.466 29.762 0.271 0.000 1.626 93 H HN 0.465 nan 8.280 nan 0.000 0.565 94 G N 0.581 109.402 108.800 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 0.632 175.432 174.900 -0.166 0.000 0.982 94 G CA 0.626 45.663 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 0.161 4.711 4.550 0.000 0.000 0.284 95 Y C 1.759 177.450 175.900 -0.349 0.000 1.166 95 Y CA 1.747 59.733 58.100 -0.190 0.000 1.163 95 Y CB -0.188 38.157 38.460 -0.192 0.000 0.974 95 Y HN 0.681 nan 8.280 nan 0.000 0.511 96 D N -2.584 117.937 120.400 0.202 0.000 2.768 96 D HA 0.509 5.149 4.640 0.000 0.000 0.327 96 D C -1.183 175.236 176.300 0.198 0.000 1.302 96 D CA -0.699 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 -2.401 175.231 177.584 0.081 0.000 1.127 97 A CA -1.057 51.073 52.037 0.154 0.000 0.810 97 A CB 0.014 19.150 19.000 0.227 0.000 1.066 97 A HN 0.479 nan 8.150 nan 0.000 0.492 98 P HA 0.569 nan 4.420 nan 0.000 0.286 98 P C -1.049 176.380 177.300 0.216 0.000 1.261 98 P CA -0.200 62.842 63.100 -0.097 0.000 0.821 98 P CB 0.968 32.346 31.700 -0.538 0.000 1.013 99 I N 2.383 123.174 120.570 0.369 0.000 2.474 99 I HA 0.320 4.490 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 1.469 39.617 38.000 0.247 0.000 1.289 99 I HN 0.273 nan 8.210 nan 0.000 0.436 100 Y N 5.389 125.682 120.300 -0.012 0.000 2.712 100 Y HA 0.583 5.133 4.550 0.000 0.000 0.328 100 Y C -0.342 175.417 175.900 -0.234 0.000 0.995 100 Y CA -0.291 57.515 58.100 -0.490 0.000 1.283 100 Y CB 0.905 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 4.175 118.210 114.554 -0.866 0.000 2.887 101 T HA 0.253 4.603 4.350 0.000 0.000 0.288 101 T C 0.371 174.587 174.700 -0.805 0.000 1.021 101 T CA -0.541 61.094 62.100 -0.775 0.000 1.000 101 T CB 1.416 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 2.025 120.329 118.700 -0.660 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 0.559 53.360 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 0.395 119.987 119.914 -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 0.660 62.541 62.300 -0.700 0.000 1.103 103 V CB -0.017 31.355 31.823 -0.752 0.000 0.802 103 V HN 0.276 nan 8.190 nan 0.000 0.482 104 T N 1.335 115.639 114.554 -0.418 0.000 2.867 104 T HA 0.130 4.480 4.350 0.000 0.000 0.297 104 T C -0.409 174.139 174.700 -0.253 0.000 0.989 104 T CA 0.358 62.285 62.100 -0.287 0.000 1.159 104 T CB -0.334 68.407 68.868 -0.211 0.000 0.928 104 T HN 0.188 nan 8.240 nan 0.000 0.538 105 Y N 4.788 124.986 120.300 -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 -1.861 56.126 58.100 -0.188 0.000 1.465 105 Y CB 0.398 38.748 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 0.184 177.300 177.300 -0.307 0.000 1.149 106 P CA 1.345 64.333 63.100 -0.187 0.000 0.817 106 P CB 0.174 31.738 31.700 -0.226 0.000 0.785 107 I N -4.523 115.783 120.570 -0.441 0.000 3.205 107 I HA 0.445 4.615 4.170 0.000 0.000 0.310 107 I C -0.446 175.534 176.117 -0.229 0.000 1.089 107 I CA -0.991 60.040 61.300 -0.448 0.000 1.023 107 I CB 1.281 38.841 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 1.064 69.928 68.868 -0.006 0.000 0.948 108 T HN 0.392 nan 8.240 nan 0.000 0.531 109 V N 4.345 124.272 119.914 0.022 0.000 2.352 109 V HA 0.268 4.388 4.120 0.000 0.000 0.253 109 V C 0.652 176.810 176.094 0.105 0.000 1.083 109 V CA -0.268 62.075 62.300 0.072 0.000 0.993 109 V CB -0.618 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 5.315 124.139 118.700 0.207 0.000 2.679 110 N HA 0.244 4.984 4.740 0.000 0.000 0.240 110 N C -2.974 172.621 175.510 0.143 0.000 1.537 110 N CA -1.184 51.974 53.050 0.180 0.000 0.793 110 N CB 1.463 40.106 38.487 0.261 0.000 1.391 110 N HN 0.283 nan 8.380 nan 0.000 0.524 111 P HA 0.189 nan 4.420 nan 0.000 0.266 111 P C -2.349 174.652 177.300 -0.498 0.000 1.195 111 P CA -0.738 61.917 63.100 -0.741 0.000 0.768 111 P CB 0.370 31.375 31.700 -1.159 0.000 0.838 112 P HA 0.263 nan 4.420 nan 0.000 0.248 112 P C -0.746 176.418 177.300 -0.227 0.000 1.708 112 P CA -0.277 62.574 63.100 -0.415 0.000 1.062 112 P CB -0.285 31.183 31.700 -0.386 0.000 1.562 113 F N -0.367 119.718 119.950 0.225 0.000 2.404 113 F HA 0.293 4.820 4.527 0.000 0.000 0.345 113 F C 1.053 177.029 175.800 0.294 0.000 1.110 113 F CA -1.174 56.963 58.000 0.230 0.000 1.130 113 F CB 1.303 40.380 39.000 0.128 0.000 1.129 113 F HN -0.291 nan 8.300 nan 0.000 0.500 114 V N 4.209 124.420 119.914 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 -1.797 60.720 62.300 0.361 0.000 1.024 114 V CB 1.519 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 0.050 63.258 63.100 0.181 0.000 0.790 115 P CB 0.603 32.369 31.700 0.109 0.000 0.951 116 T N -0.262 114.407 114.554 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 1.258 63.471 62.100 0.188 0.000 1.140 116 T CB -0.638 68.306 68.868 0.126 0.000 0.864 116 T HN 0.398 nan 8.240 nan 0.000 0.455 117 E N 2.821 123.137 120.200 0.194 0.000 1.963 117 E HA 0.429 4.779 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 -0.314 56.202 56.400 0.192 0.000 0.847 117 E CB 0.442 30.261 29.700 0.197 0.000 1.083 117 E HN 0.442 nan 8.360 nan 0.000 0.402 118 N N 3.348 122.154 118.700 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 1.206 39.854 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 -0.721 176.456 177.300 -0.204 0.000 1.170 119 P CA 0.587 63.584 63.100 -0.172 0.000 0.806 119 P CB -0.041 31.842 31.700 0.306 0.000 0.775 120 T N 2.761 116.992 114.554 -0.538 0.000 2.829 120 T HA 0.581 4.931 4.350 0.000 0.000 0.282 120 T C 0.597 174.882 174.700 -0.692 0.000 0.990 120 T CA -0.469 61.375 62.100 -0.426 0.000 1.028 120 T CB 1.529 70.154 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 -0.486 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 -0.576 174.360 174.990 -0.089 0.000 1.221 122 C CA -1.141 57.527 59.018 -0.583 0.000 1.697 122 C CB -1.699 25.034 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 -0.512 57.955 58.100 0.613 0.000 1.114 123 Y CB 1.382 40.198 38.460 0.594 0.000 1.208 123 Y HN 0.701 nan 8.280 nan 0.000 0.458 124 S N 3.081 119.276 115.700 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 -0.884 57.604 58.200 0.481 0.000 0.887 124 S CB 2.340 65.779 63.200 0.398 0.000 1.094 124 S HN 0.672 nan 8.310 nan 0.000 0.474 125 L N 0.827 121.982 121.223 -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 0.003 54.603 54.840 -0.401 0.000 0.878 125 L CB 2.192 43.399 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 2.771 126 T HA 0.780 5.130 4.350 0.000 0.000 0.281 126 T C -0.884 173.909 174.700 0.154 0.000 0.982 126 T CA -0.080 62.055 62.100 0.058 0.000 0.978 126 T CB 0.617 69.464 68.868 -0.034 0.000 0.930 126 T HN 0.488 nan 8.240 nan 0.000 0.447 127 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 -1.044 174.698 175.800 -0.096 0.000 1.153 127 F CA -1.508 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 -0.130 118.521 118.700 -0.081 0.000 2.466 128 N HA 0.751 5.491 4.740 0.000 0.000 0.294 128 N C -1.739 173.720 175.510 -0.085 0.000 1.129 128 N CA -0.620 52.338 53.050 -0.153 0.000 0.931 128 N CB 2.214 40.640 38.487 -0.101 0.000 1.193 128 N HN 0.591 nan 8.380 nan 0.000 0.500 129 V N 0.958 120.780 119.914 -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 1.542 33.323 31.823 -0.070 0.000 0.998 129 V HN 0.671 nan 8.190 nan 0.000 0.423 130 D N 3.402 123.577 120.400 -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 0.180 54.009 54.000 -0.285 0.000 0.877 130 D CB 1.301 41.881 40.800 -0.367 0.000 1.187 130 D HN 0.820 nan 8.370 nan 0.000 0.451 131 E N 2.588 122.754 120.200 -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 0.915 57.323 56.400 0.014 0.000 0.840 131 E CB -0.172 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 0.334 116.067 115.700 0.055 0.000 2.380 132 S HA -0.204 4.266 4.470 0.000 0.000 0.229 132 S C 1.556 176.260 174.600 0.172 0.000 1.043 132 S CA 1.486 59.752 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 1.213 122.381 121.300 -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 28.269 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 2.246 179.197 176.870 0.135 0.000 1.120 134 L CA 0.986 55.932 54.840 0.176 0.000 0.799 134 L CB -0.358 41.771 42.059 0.117 0.000 0.925 134 L HN 0.026 nan 8.230 nan 0.000 0.446 135 Q N -0.322 119.552 119.800 0.122 0.000 1.864 135 Q HA -0.098 4.242 4.340 0.000 0.000 0.219 135 Q C 0.898 176.959 176.000 0.103 0.000 0.975 135 Q CA 0.966 56.825 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 0.489 177.187 176.600 0.164 0.000 1.115 136 E CA 0.134 56.601 56.400 0.111 0.000 0.929 136 E CB 0.478 30.228 29.700 0.084 0.000 1.161 136 E HN 0.411 nan 8.360 nan 0.000 0.453 137 G N 0.597 109.418 108.800 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 -0.830 173.973 174.900 -0.160 0.000 1.331 137 G CA 0.241 45.249 45.100 -0.153 0.000 0.890 137 G HN 0.844 nan 8.290 nan 0.000 0.572 138 Q N -0.572 118.973 119.800 -0.425 0.000 2.347 138 Q HA 0.644 4.984 4.340 0.000 0.000 0.271 138 Q C -1.323 174.533 176.000 -0.240 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 4.729 119.294 114.554 0.018 0.000 2.815 139 T HA 0.517 4.867 4.350 0.000 0.000 0.289 139 T C -0.750 174.029 174.700 0.133 0.000 1.000 139 T CA -0.643 61.526 62.100 0.115 0.000 0.958 139 T CB 0.681 69.747 68.868 0.330 0.000 0.944 139 T HN 0.640 nan 8.240 nan 0.000 0.442 140 R N 3.321 123.878 120.500 0.096 0.000 2.854 140 R HA 0.740 5.080 4.340 0.000 0.000 0.271 140 R C -1.258 175.108 176.300 0.109 0.000 0.994 140 R CA -0.973 55.197 56.100 0.118 0.000 0.945 140 R CB 1.672 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 2.658 123.296 120.570 0.114 0.000 2.525 141 I HA 0.478 4.648 4.170 0.000 0.000 0.301 141 I C -1.077 175.036 176.117 -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 6.462 126.905 120.570 -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 -0.442 0.000 1.069 142 I CA -0.403 60.782 61.300 -0.192 0.000 1.056 142 I CB 1.863 39.805 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 1.326 177.022 175.800 -0.172 0.000 1.115 143 F CA -0.430 57.497 58.000 -0.122 0.000 1.116 143 F CB 0.736 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 2.361 122.702 120.400 -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 -1.589 172.848 174.900 -0.771 0.000 1.436 145 G CA -0.526 44.179 45.100 -0.657 0.000 1.036 145 G HN -0.060 nan 8.290 nan 0.000 0.589 146 V N 2.427 122.123 119.914 -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 1.836 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 2.241 117.925 115.700 -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 58.515 58.200 0.057 0.000 0.914 148 S CB 0.162 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 0.717 123.611 122.820 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 -0.984 118.831 119.950 -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 0.873 39.810 39.000 -0.105 0.000 1.276 150 F HN 0.654 nan 8.300 nan 0.000 0.440 151 H N 1.945 121.190 119.070 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 0.309 0.000 1.566 151 H HN 0.859 nan 8.280 nan 0.000 0.522 152 L N 1.904 123.033 121.223 -0.156 0.000 2.455 152 L HA 0.408 4.748 4.340 0.000 0.000 0.264 152 L C -1.870 174.715 176.870 -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 -1.163 175.288 176.519 -0.113 0.000 1.109 153 W CA -0.827 56.460 57.345 -0.097 0.000 1.192 153 W CB 2.113 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 4.734 124.117 119.300 0.137 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 58.645 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 1.009 176.581 175.510 0.103 0.000 1.031 155 N CA 2.013 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 0.232 175.309 174.900 0.296 0.000 0.987 156 G CA 0.663 45.802 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 0.403 0.000 2.297 157 R HA 0.432 4.772 4.340 0.000 0.000 0.308 157 R C -0.053 176.567 176.300 0.534 0.000 1.029 157 R CA -0.874 55.542 56.100 0.525 0.000 0.929 157 R CB 0.609 31.236 30.300 0.545 0.000 1.046 157 R HN 0.260 nan 8.270 nan 0.000 0.461 158 W N 4.102 125.550 121.300 0.247 0.000 2.251 158 W HA 0.070 4.730 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 0.055 57.121 57.345 -0.466 0.000 1.234 158 W CB 0.626 29.839 29.460 -0.413 0.000 1.212 158 W HN 0.349 nan 8.180 nan 0.000 0.557 159 V N 4.953 123.940 119.914 -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 -1.751 0.000 1.159 159 V CA 0.848 62.339 62.300 -1.349 0.000 1.194 159 V CB -0.332 30.791 31.823 -1.167 0.000 0.971 159 V HN 0.788 nan 8.190 nan 0.000 0.494 160 G N -1.699 105.904 108.800 -1.994 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 0.726 5.276 4.550 0.000 0.000 0.343 161 Y C -0.075 175.664 175.900 -0.269 0.000 1.065 161 Y CA -0.088 57.809 58.100 -0.339 0.000 1.038 161 Y CB 2.261 40.636 38.460 -0.142 0.000 1.297 161 Y HN 1.260 nan 8.280 nan 0.000 0.467 162 G N 3.086 111.107 108.800 -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 -0.760 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 -0.217 119.385 119.800 -0.329 0.000 2.587 163 Q HA 0.613 4.953 4.340 0.000 0.000 0.293 163 Q C -1.400 174.596 176.000 -0.007 0.000 1.083 163 Q CA -0.892 54.832 55.803 -0.131 0.000 0.792 163 Q CB 2.795 31.502 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 -0.328 176.031 176.300 0.099 0.000 1.104 164 D CA 0.667 54.718 54.000 0.084 0.000 1.101 164 D CB -0.683 40.154 40.800 0.062 0.000 0.749 164 D HN 0.568 nan 8.370 nan 0.000 0.351 165 S N 3.454 119.230 115.700 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 0.692 58.995 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 0.407 4.747 4.340 0.000 0.000 0.212 166 R C 0.042 176.398 176.300 0.092 0.000 0.897 166 R CA 0.095 56.278 56.100 0.139 0.000 1.056 166 R CB -0.066 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 1.841 43.898 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 0.271 168 P C -1.119 176.166 177.300 -0.025 0.000 1.218 168 P CA -0.180 62.889 63.100 -0.052 0.000 0.780 168 P CB 0.877 32.509 31.700 -0.113 0.000 0.901 169 S N 1.413 117.157 115.700 0.072 0.000 2.502 169 S HA 0.384 4.854 4.470 0.000 0.000 0.304 169 S C -0.638 173.985 174.600 0.039 0.000 1.097 169 S CA -0.626 57.606 58.200 0.053 0.000 1.045 169 S CB 1.046 64.399 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 -1.515 174.773 176.600 -0.521 0.000 0.879 170 E CA -0.669 55.616 56.400 -0.192 0.000 0.762 170 E CB 1.690 31.374 29.700 -0.028 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 0.264 4.791 4.527 0.000 0.000 0.310 171 F C -0.209 175.615 175.800 0.039 0.000 1.082 171 F CA -1.303 56.721 58.000 0.041 0.000 0.929 171 F CB 1.197 40.188 39.000 -0.014 0.000 1.254 171 F HN 0.248 nan 8.300 nan 0.000 0.455 172 D N 2.176 122.731 120.400 0.258 0.000 2.336 172 D HA 0.238 4.878 4.640 0.000 0.000 0.249 172 D C 0.520 176.951 176.300 0.218 0.000 1.213 172 D CA 0.348 54.464 54.000 0.194 0.000 0.870 172 D CB 0.964 41.864 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 0.211 0.000 2.477 173 L HA -0.052 4.288 4.340 0.000 0.000 0.220 173 L C 2.209 179.318 176.870 0.399 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 1.125 116.997 115.700 0.287 0.000 2.461 174 S HA -0.365 4.105 4.470 0.000 0.000 0.266 174 S C 1.790 176.514 174.600 0.208 0.000 1.138 174 S CA 2.125 60.459 58.200 0.224 0.000 1.146 174 S CB -0.314 62.975 63.200 0.148 0.000 1.042 174 S HN 0.588 nan 8.310 nan 0.000 0.448 175 A N -1.002 121.951 122.820 0.220 0.000 2.278 175 A HA 0.419 4.739 4.320 0.000 0.000 0.212 175 A C 0.959 178.443 177.584 -0.167 0.000 1.213 175 A CA 0.146 52.160 52.037 -0.038 0.000 0.840 175 A CB -0.267 18.568 19.000 -0.275 0.000 0.866 175 A HN 0.484 nan 8.150 nan 0.000 0.489 176 F N -1.058 118.931 119.950 0.065 0.000 2.767 176 F HA 0.374 4.901 4.527 0.000 0.000 0.323 176 F C 0.467 176.300 175.800 0.053 0.000 1.091 176 F CA -0.680 57.355 58.000 0.058 0.000 1.192 176 F CB -0.035 39.003 39.000 0.063 0.000 1.056 176 F HN -0.063 nan 8.300 nan 0.000 0.571 177 L N 1.823 123.213 121.223 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 -0.204 54.736 54.840 0.167 0.000 0.819 177 L CB 0.785 42.962 42.059 0.196 0.000 1.112 177 L HN 0.020 nan 8.230 nan 0.000 0.458 178 R N 1.261 121.774 120.500 0.023 0.000 2.854 178 R HA 0.685 5.025 4.340 0.000 0.000 0.271 178 R C -0.686 175.593 176.300 -0.036 0.000 0.996 178 R CA -0.943 55.152 56.100 -0.009 0.000 0.961 178 R CB 1.841 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 0.907 123.709 122.820 -0.030 0.000 2.407 179 A HA 0.547 4.867 4.320 0.000 0.000 0.248 179 A C 0.943 178.477 177.584 -0.084 0.000 1.082 179 A CA 0.840 52.849 52.037 -0.047 0.000 0.785 179 A CB -0.118 18.864 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 0.362 45.385 45.100 -0.129 0.000 0.960 180 G HN 1.004 nan 8.290 nan 0.000 0.544 181 E N 2.408 122.495 120.200 -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 56.220 56.400 -0.249 0.000 0.900 181 E CB 0.011 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 3.082 121.411 118.700 -0.619 0.000 2.328 182 N HA 0.415 5.155 4.740 0.000 0.000 0.299 182 N C -0.760 174.429 175.510 -0.535 0.000 1.179 182 N CA -0.671 51.986 53.050 -0.655 0.000 0.793 182 N CB 2.207 40.153 38.487 -0.903 0.000 1.366 182 N HN 0.287 nan 8.380 nan 0.000 0.493 183 R N 1.612 121.997 120.500 -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 0.118 0.000 1.008 183 R CA -0.477 55.624 56.100 0.000 0.000 0.896 183 R CB 1.066 31.327 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 -0.074 176.885 176.870 0.148 0.000 1.054 184 L CA -0.916 54.048 54.840 0.207 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 3.222 126.134 122.820 0.153 0.000 2.375 185 A HA 0.687 5.007 4.320 0.000 0.000 0.291 185 A C -0.870 177.025 177.584 0.519 0.000 1.160 185 A CA -0.441 51.628 52.037 0.053 0.000 0.747 185 A CB 1.335 19.758 19.000 -0.962 0.000 1.170 185 A HN 0.390 nan 8.150 nan 0.000 0.458 186 V N 3.430 123.817 119.914 0.789 0.000 2.357 186 V HA 0.486 4.606 4.120 0.000 0.000 0.284 186 V C 0.113 176.707 176.094 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 33.427 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 -1.438 175.117 176.300 0.424 0.000 1.111 187 M CA -0.331 55.286 55.300 0.529 0.000 1.017 187 M CB 1.288 34.241 32.600 0.588 0.000 1.568 187 M HN 0.476 nan 8.290 nan 0.000 0.445 188 V N 6.737 126.841 119.914 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 1.569 33.590 31.823 0.330 0.000 0.983 188 V HN 0.816 nan 8.190 nan 0.000 0.445 189 L N 3.091 124.406 121.223 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 1.566 43.540 42.059 -0.142 0.000 1.268 189 L HN 0.468 nan 8.230 nan 0.000 0.428 190 R N 1.608 121.970 120.500 -0.230 0.000 2.075 190 R HA -0.007 4.333 4.340 0.000 0.000 0.230 190 R C -0.279 175.637 176.300 -0.641 0.000 1.140 190 R CA 1.753 57.420 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 0.627 nan 8.270 nan 0.000 0.429 191 W N 0.294 121.649 121.300 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 30.837 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 0.063 174.914 174.600 0.420 0.000 1.166 192 S CA -0.511 57.975 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 0.564 121.212 120.400 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 1.195 55.472 54.000 0.462 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 0.098 109.110 108.800 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 0.937 59.262 58.200 0.209 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 0.026 4.576 4.550 0.000 0.000 0.291 196 Y C 1.536 177.533 175.900 0.162 0.000 1.143 196 Y CA 0.619 58.738 58.100 0.032 0.000 1.289 196 Y CB -0.218 38.154 38.460 -0.146 0.000 0.983 196 Y HN 0.196 nan 8.280 nan 0.000 0.556 197 L N -0.011 121.403 121.223 0.318 0.000 2.700 197 L HA 0.121 4.461 4.340 0.000 0.000 0.234 197 L C -0.004 177.009 176.870 0.237 0.000 1.156 197 L CA 0.370 55.355 54.840 0.241 0.000 0.946 197 L CB -0.005 42.191 42.059 0.228 0.000 1.216 197 L HN 0.203 nan 8.230 nan 0.000 0.493 198 E N -0.473 119.887 120.200 0.266 0.000 3.646 198 E HA 0.045 4.395 4.350 0.000 0.000 0.211 198 E C -0.444 176.278 176.600 0.204 0.000 1.034 198 E CA -0.095 56.446 56.400 0.235 0.000 1.341 198 E CB 0.470 30.300 29.700 0.217 0.000 1.202 198 E HN 0.019 nan 8.360 nan 0.000 0.447 199 D N 1.382 121.869 120.400 0.145 0.000 2.519 199 D HA 0.006 4.646 4.640 0.000 0.000 0.238 199 D C -0.221 176.082 176.300 0.006 0.000 1.192 199 D CA -0.011 53.962 54.000 -0.045 0.000 0.835 199 D CB 0.066 40.604 40.800 -0.437 0.000 0.975 199 D HN 0.082 nan 8.370 nan 0.000 0.490 200 Q N 0.510 120.400 119.800 0.149 0.000 2.361 200 Q HA 0.070 4.410 4.340 0.000 0.000 0.276 200 Q C -0.037 176.085 176.000 0.202 0.000 1.022 200 Q CA 0.170 56.125 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 0.053 nan 8.270 nan 0.000 0.410 201 D N 3.393 123.944 120.400 0.251 0.000 2.489 201 D HA 0.137 4.777 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 0.221 54.355 54.000 0.223 0.000 1.058 201 D CB -0.415 40.546 40.800 0.268 0.000 1.098 201 D HN 0.482 nan 8.370 nan 0.000 0.509 202 M N 0.084 119.806 119.600 0.203 0.000 3.008 202 M HA 0.453 4.933 4.480 0.000 0.000 0.271 202 M C -1.207 175.200 176.300 0.177 0.000 1.265 202 M CA -1.212 54.158 55.300 0.118 0.000 0.817 202 M CB 1.145 33.719 32.600 -0.043 0.000 1.638 202 M HN -0.103 nan 8.290 nan 0.000 0.479 203 W N 1.972 123.359 121.300 0.145 0.000 2.216 203 W HA 0.393 5.053 4.660 0.000 0.000 0.326 203 W C 0.126 176.655 176.519 0.016 0.000 1.319 203 W CA -0.276 57.135 57.345 0.111 0.000 1.213 203 W CB 0.550 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 -0.191 56.009 56.100 0.167 0.000 0.887 204 R CB 0.243 30.685 30.300 0.238 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 -0.136 175.852 176.300 -0.519 0.000 1.013 205 M CA -0.728 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 -1.351 113.922 115.700 -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 -0.707 0.000 1.131 206 S CA -0.328 57.368 58.200 -0.840 0.000 0.826 206 S CB 1.445 63.956 63.200 -1.148 0.000 1.095 206 S HN 1.427 nan 8.310 nan 0.000 0.461 207 G N 0.244 108.838 108.800 -0.343 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 -0.542 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 2.161 122.614 120.570 -0.196 0.000 2.316 208 I HA 0.307 4.477 4.170 0.000 0.000 0.286 208 I C 1.010 177.007 176.117 -0.200 0.000 1.107 208 I CA -0.309 60.769 61.300 -0.370 0.000 1.219 208 I CB -0.033 37.544 38.000 -0.706 0.000 1.455 208 I HN 0.514 nan 8.210 nan 0.000 0.498 209 F N 3.971 123.790 119.950 -0.218 0.000 2.727 209 F HA 0.428 4.955 4.527 0.000 0.000 0.302 209 F C 0.696 176.432 175.800 -0.107 0.000 1.097 209 F CA -0.527 57.377 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 0.120 nan 8.300 nan 0.000 0.578 210 R N 0.681 120.781 120.500 -0.666 0.000 2.912 210 R HA 0.260 4.600 4.340 0.000 0.000 0.262 210 R C -1.003 175.134 176.300 -0.271 0.000 1.057 210 R CA -1.158 54.702 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 -0.032 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 0.433 54.356 54.000 -0.128 0.000 0.876 211 D CB 0.404 41.165 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 -0.591 61.570 62.300 -0.231 0.000 0.873 212 V CB 1.609 33.308 31.823 -0.207 0.000 0.992 212 V HN 0.752 nan 8.190 nan 0.000 0.428 213 S N 4.487 120.056 115.700 -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 -0.952 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 2.394 123.685 121.223 0.112 0.000 2.409 215 L HA 0.488 4.828 4.340 0.000 0.000 0.272 215 L C -1.058 175.716 176.870 -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 43.724 42.059 0.006 0.000 1.268 215 L HN 0.486 nan 8.230 nan 0.000 0.407 216 H N 4.033 122.774 119.070 -0.548 0.000 2.556 216 H HA 0.582 5.138 4.556 0.000 0.000 0.310 216 H C -1.158 173.883 175.328 -0.478 0.000 1.057 216 H CA -0.142 55.416 56.048 -0.816 0.000 1.264 216 H CB 0.963 29.636 29.762 -1.815 0.000 1.404 216 H HN 0.617 nan 8.280 nan 0.000 0.462 217 K N 5.428 125.334 120.400 -0.823 0.000 2.435 217 K HA 0.418 4.738 4.320 0.000 0.000 0.251 217 K C -2.741 173.506 176.600 -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 0.443 32.050 31.700 -0.156 0.000 0.951 219 T N -2.984 111.479 114.554 -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 -0.695 68.126 68.868 -0.079 0.000 0.883 219 T HN 0.308 nan 8.240 nan 0.000 0.468 220 T N 3.403 117.882 114.554 -0.124 0.000 2.853 220 T HA 0.442 4.792 4.350 0.000 0.000 0.317 220 T C -0.339 174.269 174.700 -0.154 0.000 1.059 220 T CA -0.786 61.230 62.100 -0.140 0.000 0.954 220 T CB 0.714 69.506 68.868 -0.127 0.000 0.994 220 T HN 0.557 nan 8.240 nan 0.000 0.479 221 Q N 2.781 122.473 119.800 -0.180 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 -0.200 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 2.757 123.184 120.570 -0.239 0.000 2.436 222 I HA -0.021 4.149 4.170 0.000 0.000 0.289 222 I C 0.984 176.902 176.117 -0.332 0.000 1.083 222 I CA 0.111 61.279 61.300 -0.221 0.000 1.372 222 I CB 1.027 38.860 38.000 -0.277 0.000 1.408 222 I HN 0.832 nan 8.210 nan 0.000 0.516 223 S N 3.128 118.747 115.700 -0.134 0.000 2.503 223 S HA 0.128 4.598 4.470 0.000 0.000 0.217 223 S C 0.265 174.998 174.600 0.223 0.000 0.999 223 S CA -0.104 58.061 58.200 -0.058 0.000 0.914 223 S CB 0.239 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 -0.609 119.966 120.400 0.292 0.000 2.766 224 D HA 0.440 5.080 4.640 0.000 0.000 0.244 224 D C -1.769 174.755 176.300 0.372 0.000 1.198 224 D CA -0.698 53.558 54.000 0.427 0.000 0.739 224 D CB 1.128 42.061 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 -1.539 174.288 175.800 0.044 0.000 1.118 225 F CA -0.785 57.163 58.000 -0.086 0.000 0.959 225 F CB 1.408 40.417 39.000 0.016 0.000 1.305 225 F HN 0.298 nan 8.300 nan 0.000 0.443 226 H N 1.010 120.082 119.070 0.004 0.000 2.768 226 H HA 0.788 5.344 4.556 0.000 0.000 0.371 226 H C -1.365 173.951 175.328 -0.020 0.000 1.151 226 H CA -1.520 54.456 56.048 -0.119 0.000 1.165 226 H CB 2.687 32.400 29.762 -0.082 0.000 1.722 226 H HN 0.616 nan 8.280 nan 0.000 0.543 227 V N 1.168 121.128 119.914 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 0.020 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 1.970 124.748 122.820 -0.069 0.000 2.547 228 A HA 0.830 5.150 4.320 0.000 0.000 0.297 228 A C -0.482 177.012 177.584 -0.151 0.000 1.056 228 A CA -0.391 51.592 52.037 -0.089 0.000 0.688 228 A CB 2.034 21.006 19.000 -0.047 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 0.795 5.145 4.350 0.000 0.000 0.279 229 T C -0.377 174.156 174.700 -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 1.647 121.881 120.500 -0.444 0.000 2.740 230 R HA 0.768 5.108 4.340 0.000 0.000 0.282 230 R C -1.248 174.677 176.300 -0.625 0.000 0.969 230 R CA -0.747 55.163 56.100 -0.317 0.000 0.918 230 R CB 1.606 31.825 30.300 -0.134 0.000 1.175 230 R HN 0.555 nan 8.270 nan 0.000 0.464 231 F N 0.063 120.004 119.950 -0.014 0.000 2.640 231 F HA 0.360 4.887 4.527 0.000 0.000 0.324 231 F C 0.362 176.042 175.800 -0.200 0.000 1.077 231 F CA -1.271 56.669 58.000 -0.101 0.000 0.965 231 F CB 0.850 39.710 39.000 -0.233 0.000 1.351 231 F HN 0.506 nan 8.300 nan 0.000 0.487 232 N N -0.208 118.490 118.700 -0.003 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 -0.214 52.784 53.050 -0.086 0.000 0.942 232 N CB 0.078 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 -1.554 118.744 120.400 -0.170 0.000 2.265 233 D HA -0.226 4.414 4.640 0.000 0.000 0.208 233 D C 0.113 176.280 176.300 -0.221 0.000 0.977 233 D CA 1.349 55.239 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 0.246 176.666 176.300 0.200 0.000 1.210 234 D CA -0.856 53.173 54.000 0.049 0.000 0.825 234 D CB -1.069 39.784 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 0.800 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 0.754 59.029 58.200 0.124 0.000 0.929 236 S CB 0.357 63.603 63.200 0.077 0.000 0.769 236 S HN 0.587 nan 8.310 nan 0.000 0.529 237 R N -0.402 120.164 120.500 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 56.086 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 2.489 125.269 122.820 -0.065 0.000 2.479 238 A HA 0.786 5.106 4.320 0.000 0.000 0.296 238 A C -1.451 176.040 177.584 -0.156 0.000 1.121 238 A CA -0.677 51.236 52.037 -0.206 0.000 0.743 238 A CB 2.226 21.073 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 61.762 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 5.225 126.428 121.223 -0.034 0.000 2.275 240 L HA 0.629 4.970 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 0.179 54.983 54.840 -0.060 0.000 0.805 240 L CB 1.198 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 4.826 124.983 120.200 -0.071 0.000 2.218 241 E HA 0.752 5.102 4.350 0.000 0.000 0.263 241 E C -1.791 174.797 176.600 -0.021 0.000 0.879 241 E CA -0.832 55.541 56.400 -0.046 0.000 0.762 241 E CB 1.566 31.237 29.700 -0.047 0.000 1.166 241 E HN 0.844 nan 8.360 nan 0.000 0.415 242 A N 4.387 127.201 122.820 -0.010 0.000 2.331 242 A HA 0.444 4.764 4.320 0.000 0.000 0.320 242 A C -0.847 176.735 177.584 -0.003 0.000 1.138 242 A CA -0.708 51.344 52.037 0.026 0.000 0.790 242 A CB 1.458 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 2.330 122.531 120.200 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 4.271 124.135 119.914 -0.082 0.000 2.604 244 V HA 0.362 4.482 4.120 0.000 0.000 0.305 244 V C -0.498 175.624 176.094 0.046 0.000 1.043 244 V CA -0.808 61.481 62.300 -0.019 0.000 0.888 244 V CB 1.771 33.556 31.823 -0.063 0.000 0.995 244 V HN 0.694 nan 8.190 nan 0.000 0.429 245 Q N 4.131 123.985 119.800 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 -0.879 118.755 119.600 0.056 0.000 2.664 246 M HA 0.762 5.242 4.480 0.000 0.000 0.314 246 M C -1.301 174.892 176.300 -0.177 0.000 1.200 246 M CA -0.429 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 1.425 120.618 119.300 -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 3.387 112.100 108.800 -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 -1.504 173.309 174.900 -0.144 0.000 1.248 248 G CA -0.291 44.727 45.100 -0.138 0.000 1.033 248 G HN 0.854 nan 8.290 nan 0.000 0.502 249 E N -0.338 119.784 120.200 -0.130 0.000 2.166 249 E HA 0.712 5.062 4.350 0.000 0.000 0.275 249 E C 0.021 176.515 176.600 -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 0.632 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 0.257 4.597 4.340 0.000 0.000 0.272 250 L C -0.068 176.678 176.870 -0.206 0.000 1.174 250 L CA 0.149 54.844 54.840 -0.241 0.000 0.869 250 L CB 0.228 42.165 42.059 -0.203 0.000 1.130 250 L HN 0.477 nan 8.230 nan 0.000 0.474 251 R N 2.683 122.999 120.500 -0.306 0.000 2.548 251 R HA 0.115 4.455 4.340 0.000 0.000 0.280 251 R C 0.063 176.138 176.300 -0.376 0.000 1.061 251 R CA -0.617 55.279 56.100 -0.339 0.000 0.915 251 R CB 1.588 31.479 30.300 -0.682 0.000 1.210 251 R HN 0.713 nan 8.270 nan 0.000 0.442 252 D N 1.780 122.103 120.400 -0.129 0.000 2.393 252 D HA -0.205 4.435 4.640 0.000 0.000 0.220 252 D C 0.885 177.191 176.300 0.010 0.000 0.974 252 D CA 1.462 55.447 54.000 -0.025 0.000 0.931 252 D CB -0.052 40.784 40.800 0.061 0.000 0.889 252 D HN 0.715 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 0.394 4.944 4.550 0.000 0.000 0.263 253 Y C 0.957 176.856 175.900 -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 2.946 123.984 121.223 -0.308 0.000 2.397 254 L HA 0.363 4.703 4.340 0.000 0.000 0.271 254 L C 0.204 177.018 176.870 -0.095 0.000 1.148 254 L CA -0.100 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 2.076 122.428 120.500 -0.248 0.000 2.799 255 R HA 0.750 5.090 4.340 0.000 0.000 0.270 255 R C -1.543 174.434 176.300 -0.538 0.000 1.010 255 R CA -0.833 55.025 56.100 -0.403 0.000 0.916 255 R CB 2.388 32.416 30.300 -0.453 0.000 1.228 255 R HN 0.283 nan 8.270 nan 0.000 0.469 256 V N 0.787 120.479 119.914 -0.370 0.000 2.686 256 V HA 0.489 4.609 4.120 0.000 0.000 0.306 256 V C -0.618 175.454 176.094 -0.036 0.000 1.065 256 V CA -0.609 61.551 62.300 -0.233 0.000 0.894 256 V CB 2.421 34.032 31.823 -0.353 0.000 1.004 256 V HN 0.788 nan 8.190 nan 0.000 0.424 257 T N 3.578 118.187 114.554 0.092 0.000 2.861 257 T HA 0.721 5.071 4.350 0.000 0.000 0.287 257 T C -0.855 173.852 174.700 0.011 0.000 1.003 257 T CA -0.536 61.615 62.100 0.084 0.000 0.977 257 T CB 1.923 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 3.061 122.966 119.914 -0.015 0.000 2.577 258 V HA 0.694 4.814 4.120 0.000 0.000 0.303 258 V C -0.440 175.638 176.094 -0.027 0.000 1.042 258 V CA -0.870 61.416 62.300 -0.023 0.000 0.872 258 V CB 1.870 33.669 31.823 -0.040 0.000 0.998 258 V HN 1.077 nan 8.190 nan 0.000 0.423 259 S N 5.036 120.737 115.700 0.001 0.000 2.526 259 S HA 0.862 5.332 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 -0.770 57.387 58.200 -0.071 0.000 0.980 259 S CB 2.385 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 2.104 123.192 121.223 -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 -0.488 176.160 176.519 0.214 0.000 1.059 261 W CA -0.580 56.853 57.345 0.147 0.000 1.226 261 W CB 1.619 31.121 29.460 0.070 0.000 1.416 261 W HN 0.434 nan 8.180 nan 0.000 0.505 262 Q N 2.668 122.718 119.800 0.416 0.000 2.644 262 Q HA 0.494 4.834 4.340 0.000 0.000 0.245 262 Q C 0.683 176.773 176.000 0.151 0.000 1.064 262 Q CA 0.598 56.500 55.803 0.164 0.000 0.860 262 Q CB 0.342 29.131 28.738 0.084 0.000 1.145 262 Q HN 0.733 nan 8.270 nan 0.000 0.515 263 G N 2.322 111.203 108.800 0.135 0.000 2.595 263 G HA2 -0.365 3.595 3.960 0.000 0.000 0.297 263 G HA3 -0.365 3.595 3.960 0.000 0.000 0.297 263 G C 0.666 175.638 174.900 0.119 0.000 1.181 263 G CA 0.322 45.468 45.100 0.077 0.000 0.963 263 G HN 0.515 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 1.263 178.083 176.600 0.368 0.000 1.013 264 E CA 0.925 57.410 56.400 0.140 0.000 0.866 264 E CB -0.125 29.623 29.700 0.080 0.000 0.832 264 E HN 0.473 nan 8.360 nan 0.000 0.500 265 T N 1.361 116.129 114.554 0.357 0.000 2.806 265 T HA 0.177 4.527 4.350 0.000 0.000 0.290 265 T C 0.088 174.925 174.700 0.229 0.000 0.966 265 T CA -0.348 61.932 62.100 0.301 0.000 1.060 265 T CB 1.587 70.535 68.868 0.132 0.000 0.927 265 T HN -0.069 nan 8.240 nan 0.000 0.485 266 Q N 2.863 122.514 119.800 -0.249 0.000 2.296 266 Q HA 0.287 4.627 4.340 0.000 0.000 0.257 266 Q C 0.314 176.038 176.000 -0.459 0.000 0.942 266 Q CA -0.396 54.780 55.803 -1.044 0.000 0.939 266 Q CB 0.929 28.755 28.738 -1.520 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 0.416 176.400 176.094 -0.184 0.000 1.054 267 V CA 0.961 63.163 62.300 -0.164 0.000 1.076 267 V CB 0.103 31.921 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 -0.820 176.634 177.584 -0.216 0.000 1.055 268 A CA -0.048 51.873 52.037 -0.194 0.000 0.683 268 A CB 1.738 20.661 19.000 -0.129 0.000 1.278 268 A HN 0.029 nan 8.150 nan 0.000 0.412 269 S N -1.076 114.530 115.700 -0.157 0.000 2.579 269 S HA 0.895 5.365 4.470 0.000 0.000 0.272 269 S C -0.492 174.058 174.600 -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 2.314 nan 8.310 nan 0.000 0.468 270 G N 1.216 109.980 108.800 -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 -1.518 173.362 174.900 -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 0.089 62.185 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 1.781 nan 8.240 nan 0.000 0.473 272 A N 2.915 125.686 122.820 -0.083 0.000 2.566 272 A HA 0.915 5.235 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 -1.417 50.551 52.037 -0.116 0.000 0.658 272 A CB 1.150 20.071 19.000 -0.132 0.000 1.285 272 A HN 0.537 nan 8.150 nan 0.000 0.427 273 P HA 0.656 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 0.825 120.726 119.950 -0.083 0.000 2.535 274 F HA 0.414 4.941 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 1.924 59.886 58.000 -0.062 0.000 1.330 274 F CB -0.190 38.766 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 -0.482 174.462 174.900 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 0.633 109.493 108.800 0.101 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 0.062 174.995 174.900 0.055 0.000 1.310 276 G CA -0.323 44.828 45.100 0.084 0.000 1.027 276 G HN 0.895 nan 8.290 nan 0.000 0.505 277 E N -0.818 119.411 120.200 0.049 0.000 2.349 277 E HA 0.390 4.740 4.350 0.000 0.000 0.262 277 E C -0.319 176.299 176.600 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 1.694 122.271 120.570 0.011 0.000 2.710 278 I HA -0.059 4.111 4.170 0.000 0.000 0.286 278 I C 1.003 177.125 176.117 0.007 0.000 1.181 278 I CA 0.580 61.880 61.300 -0.001 0.000 1.430 278 I CB 0.146 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 1.179 121.746 120.570 -0.005 0.000 4.124 279 I HA 0.416 4.586 4.170 0.000 0.000 0.311 279 I C 0.006 176.120 176.117 -0.005 0.000 1.259 279 I CA 0.471 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 -0.547 119.837 120.400 -0.027 0.000 2.946 280 D HA 0.208 4.848 4.640 0.000 0.000 0.337 280 D C 0.484 176.767 176.300 -0.029 0.000 1.332 280 D CA -0.431 53.554 54.000 -0.024 0.000 0.935 280 D CB 0.250 41.036 40.800 -0.023 0.000 1.440 280 D HN -0.086 nan 8.370 nan 0.000 0.540 281 E N -0.823 119.362 120.200 -0.025 0.000 2.209 281 E HA -0.076 4.274 4.350 0.000 0.000 0.196 281 E C 1.592 178.172 176.600 -0.032 0.000 0.993 281 E CA 1.175 57.561 56.400 -0.024 0.000 0.819 281 E CB -0.033 29.656 29.700 -0.018 0.000 0.745 281 E HN 0.250 nan 8.360 nan 0.000 0.477 282 R N -0.466 120.006 120.500 -0.046 0.000 2.276 282 R HA 0.224 4.564 4.340 0.000 0.000 0.196 282 R C 0.881 177.139 176.300 -0.071 0.000 0.961 282 R CA 0.699 56.764 56.100 -0.057 0.000 1.024 282 R CB 0.725 30.985 30.300 -0.067 0.000 0.940 282 R HN 0.213 nan 8.270 nan 0.000 0.480 283 G N -0.501 108.256 108.800 -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 -0.347 174.491 174.900 -0.104 0.000 1.269 283 G CA -0.639 44.416 45.100 -0.073 0.000 1.170 283 G HN 0.401 nan 8.290 nan 0.000 0.511 284 G N -1.812 106.922 108.800 -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 -0.767 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 0.767 121.080 120.300 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 0.017 58.136 58.100 0.031 0.000 1.180 285 Y CB 1.876 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 1.849 124.750 122.820 0.134 0.000 1.968 286 A HA -0.138 4.182 4.320 0.000 0.000 0.217 286 A C 1.280 178.951 177.584 0.147 0.000 1.169 286 A CA 1.497 53.595 52.037 0.102 0.000 0.638 286 A CB -0.237 18.780 19.000 0.029 0.000 0.812 286 A HN 0.788 nan 8.150 nan 0.000 0.446 287 D N -0.525 119.961 120.400 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 0.425 nan 8.370 nan 0.000 0.494 288 R N -0.951 119.820 120.500 0.452 0.000 2.799 288 R HA 0.765 5.105 4.340 0.000 0.000 0.270 288 R C -1.558 174.846 176.300 0.174 0.000 1.010 288 R CA -1.227 55.069 56.100 0.328 0.000 0.916 288 R CB 2.819 33.169 30.300 0.083 0.000 1.228 288 R HN -0.014 nan 8.270 nan 0.000 0.469 289 V N 0.161 120.034 119.914 -0.068 0.000 3.000 289 V HA 0.501 4.621 4.120 0.000 0.000 0.300 289 V C -1.610 174.393 176.094 -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 34.259 31.823 -0.466 0.000 1.065 289 V HN 0.833 nan 8.190 nan 0.000 0.431 290 T N 7.314 121.805 114.554 -0.105 0.000 2.812 290 T HA 0.750 5.100 4.350 0.000 0.000 0.282 290 T C -0.971 173.682 174.700 -0.078 0.000 0.990 290 T CA -0.268 61.785 62.100 -0.078 0.000 0.960 290 T CB 1.185 70.028 68.868 -0.043 0.000 0.948 290 T HN 0.492 nan 8.240 nan 0.000 0.438 291 L N 2.926 124.104 121.223 -0.074 0.000 2.330 291 L HA 0.647 4.987 4.340 0.000 0.000 0.271 291 L C 0.404 177.243 176.870 -0.051 0.000 1.013 291 L CA -0.684 54.116 54.840 -0.067 0.000 0.816 291 L CB 1.233 43.247 42.059 -0.074 0.000 1.287 291 L HN 0.415 nan 8.230 nan 0.000 0.435 292 R N 2.836 123.306 120.500 -0.050 0.000 2.451 292 R HA 0.660 5.000 4.340 0.000 0.000 0.307 292 R C -1.499 174.772 176.300 -0.050 0.000 0.965 292 R CA -0.617 55.454 56.100 -0.048 0.000 0.865 292 R CB 1.463 31.736 30.300 -0.046 0.000 1.174 292 R HN 0.477 nan 8.270 nan 0.000 0.455 293 L N 2.617 123.811 121.223 -0.049 0.000 2.307 293 L HA 0.460 4.800 4.340 0.000 0.000 0.284 293 L C 0.054 176.893 176.870 -0.053 0.000 1.023 293 L CA -0.944 53.865 54.840 -0.051 0.000 0.810 293 L CB 1.496 43.525 42.059 -0.051 0.000 1.231 293 L HN 0.467 nan 8.230 nan 0.000 0.423 294 N N 1.922 120.585 118.700 -0.061 0.000 2.498 294 N HA 0.471 5.211 4.740 0.000 0.000 0.287 294 N C -1.004 174.453 175.510 -0.087 0.000 1.097 294 N CA -0.314 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 2.020 121.867 119.914 -0.112 0.000 2.569 295 V HA 0.192 4.312 4.120 0.000 0.000 0.301 295 V C -0.135 175.874 176.094 -0.142 0.000 1.044 295 V CA -0.843 61.357 62.300 -0.167 0.000 0.874 295 V CB 2.060 33.690 31.823 -0.323 0.000 1.002 295 V HN 0.535 nan 8.190 nan 0.000 0.424 296 E N 3.705 123.845 120.200 -0.099 0.000 2.301 296 E HA 0.280 4.630 4.350 0.000 0.000 0.275 296 E C -0.089 176.481 176.600 -0.050 0.000 1.030 296 E CA -0.391 55.974 56.400 -0.057 0.000 0.852 296 E CB 0.660 30.339 29.700 -0.035 0.000 1.060 296 E HN 0.711 nan 8.360 nan 0.000 0.401 297 N N 1.338 120.031 118.700 -0.012 0.000 2.689 297 N HA -0.131 4.609 4.740 0.000 0.000 0.263 297 N C -2.386 173.120 175.510 -0.008 0.000 0.987 297 N CA 0.359 53.418 53.050 0.015 0.000 0.782 297 N CB -1.365 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 0.130 nan 4.420 nan 0.000 0.272 298 P C 0.100 177.415 177.300 0.026 0.000 1.230 298 P CA 0.163 63.152 63.100 -0.184 0.000 0.788 298 P CB 0.854 32.192 31.700 -0.604 0.000 0.949 299 K N 1.343 121.840 120.400 0.162 0.000 2.234 299 K HA 0.393 4.713 4.320 0.000 0.000 0.277 299 K C -0.156 176.611 176.600 0.278 0.000 1.038 299 K CA -0.540 55.854 56.287 0.178 0.000 0.888 299 K CB 0.493 33.065 32.500 0.120 0.000 1.091 299 K HN 0.382 nan 8.250 nan 0.000 0.467 300 L N 2.379 123.689 121.223 0.146 0.000 2.395 300 L HA 0.338 4.678 4.340 0.000 0.000 0.269 300 L C -0.113 176.842 176.870 0.143 0.000 1.133 300 L CA -0.794 54.140 54.840 0.158 0.000 0.812 300 L CB 0.416 42.426 42.059 -0.082 0.000 1.125 300 L HN 0.599 nan 8.230 nan 0.000 0.452 301 W N 2.890 124.227 121.300 0.062 0.000 2.376 301 W HA 0.497 5.157 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 0.128 57.487 57.345 0.024 0.000 1.218 301 W CB 1.268 30.790 29.460 0.102 0.000 1.205 301 W HN 0.609 nan 8.180 nan 0.000 0.559 302 S N 2.791 117.848 115.700 -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 -1.359 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 0.344 122.572 122.820 -0.986 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 1.270 52.694 52.037 -1.022 0.000 0.670 303 A CB -0.779 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 -0.279 176.168 176.600 -0.254 0.000 0.984 304 E CA 0.778 57.061 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 0.604 nan 8.360 nan 0.000 0.458 305 I N 0.945 121.308 120.570 -0.346 0.000 2.588 305 I HA 0.140 4.310 4.170 0.000 0.000 0.278 305 I C -2.624 173.223 176.117 -0.451 0.000 1.144 305 I CA -1.851 59.270 61.300 -0.298 0.000 1.074 305 I CB 2.153 40.038 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 -0.497 176.795 177.300 -0.015 0.000 1.756 306 P CA -0.098 62.679 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 1.785 120.495 118.700 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 0.373 53.508 53.050 0.141 0.000 0.928 307 N CB 0.618 39.171 38.487 0.110 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 -0.805 176.141 176.870 0.127 0.000 1.011 308 L CA -0.880 54.111 54.840 0.252 0.000 0.818 308 L CB 1.166 43.347 42.059 0.204 0.000 1.316 308 L HN 0.400 nan 8.230 nan 0.000 0.432 309 Y N -0.028 120.402 120.300 0.215 0.000 2.576 309 Y HA 0.567 5.117 4.550 0.000 0.000 0.346 309 Y C -0.338 175.670 175.900 0.180 0.000 1.018 309 Y CA -0.809 57.425 58.100 0.224 0.000 1.050 309 Y CB 2.096 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 1.245 121.981 120.500 0.394 0.000 2.445 310 R HA 0.869 5.209 4.340 0.000 0.000 0.308 310 R C -1.499 174.994 176.300 0.321 0.000 0.961 310 R CA -0.666 55.601 56.100 0.278 0.000 0.862 310 R CB 1.111 31.501 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 0.130 0.000 2.448 312 V HA 0.526 4.646 4.120 0.000 0.000 0.295 312 V C -0.374 175.706 176.094 -0.023 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 -0.120 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 5.059 125.251 120.200 -0.013 0.000 2.176 314 E HA 0.577 4.927 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 55.373 56.400 0.070 0.000 0.761 314 E CB 2.790 32.545 29.700 0.093 0.000 1.133 314 E HN 0.411 nan 8.360 nan 0.000 0.409 315 L N 5.314 126.593 121.223 0.093 0.000 2.255 315 L HA 0.285 4.625 4.340 0.000 0.000 0.289 315 L C -0.687 176.247 176.870 0.106 0.000 1.046 315 L CA 0.067 54.935 54.840 0.047 0.000 0.816 315 L CB -0.095 41.969 42.059 0.009 0.000 1.197 315 L HN 0.699 nan 8.230 nan 0.000 0.427 316 H N 1.206 120.295 119.070 0.032 0.000 2.942 316 H HA 0.618 5.174 4.556 0.000 0.000 0.316 316 H C -0.966 174.405 175.328 0.071 0.000 1.323 316 H CA -0.342 55.733 56.048 0.044 0.000 1.144 316 H CB 0.988 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 -2.825 111.865 114.554 0.226 0.000 2.927 317 T HA 0.526 4.876 4.350 0.000 0.000 0.281 317 T C 1.439 176.316 174.700 0.295 0.000 0.998 317 T CA -0.196 62.048 62.100 0.240 0.000 1.019 317 T CB 1.388 70.446 68.868 0.317 0.000 1.061 317 T HN 0.776 nan 8.240 nan 0.000 0.518 318 A N 1.001 123.965 122.820 0.240 0.000 2.024 318 A HA -0.085 4.235 4.320 0.000 0.000 0.220 318 A C 1.817 179.500 177.584 0.165 0.000 1.164 318 A CA 1.975 54.128 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 -2.966 117.519 120.400 0.142 0.000 2.269 319 D HA 0.268 4.908 4.640 0.000 0.000 0.208 319 D C 1.255 177.603 176.300 0.081 0.000 0.963 319 D CA 1.360 55.410 54.000 0.084 0.000 0.864 319 D CB -0.146 40.682 40.800 0.047 0.000 0.936 319 D HN 0.669 nan 8.370 nan 0.000 0.505 320 G N -1.271 107.604 108.800 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 -0.041 45.090 45.100 0.052 0.000 0.693 320 G HN 0.329 nan 8.290 nan 0.000 0.480 321 T N 2.139 116.754 114.554 0.101 0.000 2.817 321 T HA 0.405 4.755 4.350 0.000 0.000 0.295 321 T C 0.506 175.289 174.700 0.138 0.000 0.958 321 T CA 0.154 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 4.858 126.140 121.223 0.097 0.000 2.331 322 L HA 0.257 4.597 4.340 0.000 0.000 0.278 322 L C 0.617 177.547 176.870 0.099 0.000 1.106 322 L CA -0.464 54.447 54.840 0.118 0.000 0.824 322 L CB 0.465 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 3.316 123.946 120.570 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 0.801 62.130 61.300 0.049 0.000 1.438 323 I CB -0.175 37.839 38.000 0.022 0.000 1.111 323 I HN 0.801 nan 8.210 nan 0.000 0.431 324 E N -0.594 119.626 120.200 0.032 0.000 2.421 324 E HA 0.675 5.025 4.350 0.000 0.000 0.278 324 E C -1.675 174.949 176.600 0.040 0.000 1.141 324 E CA -1.035 55.382 56.400 0.027 0.000 0.880 324 E CB 0.980 30.662 29.700 -0.031 0.000 1.381 324 E HN -0.073 nan 8.360 nan 0.000 0.436 325 A N 0.926 123.796 122.820 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 -0.687 51.406 52.037 0.094 0.000 0.700 325 A CB 1.912 20.955 19.000 0.072 0.000 1.296 325 A HN 0.514 nan 8.150 nan 0.000 0.405 326 E N -0.450 119.804 120.200 0.090 0.000 2.393 326 E HA 0.767 5.117 4.350 0.000 0.000 0.273 326 E C -0.630 175.994 176.600 0.040 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 0.178 123.134 122.820 0.227 0.000 2.588 327 A HA 0.858 5.178 4.320 0.000 0.000 0.290 327 A C -1.117 176.647 177.584 0.300 0.000 1.136 327 A CA -0.393 51.712 52.037 0.112 0.000 0.681 327 A CB 1.193 20.130 19.000 -0.105 0.000 1.282 327 A HN 0.935 nan 8.150 nan 0.000 0.421 328 C N -0.815 118.620 119.300 0.226 0.000 3.292 328 C HA 0.728 5.188 4.460 0.000 0.000 0.338 328 C C -1.543 173.533 174.990 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 0.830 121.292 120.400 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 0.697 120.676 119.914 0.107 0.000 2.656 330 V HA 0.645 4.765 4.120 0.000 0.000 0.307 330 V C 0.370 176.503 176.094 0.065 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 2.766 111.492 108.800 -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 -1.240 173.647 174.900 -0.022 0.000 1.316 331 G CA -0.399 44.702 45.100 0.001 0.000 0.944 331 G HN 0.410 nan 8.290 nan 0.000 0.489 332 F N 2.259 122.391 119.950 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 -0.300 57.933 58.000 0.388 0.000 1.160 332 F CB 1.105 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 1.212 122.013 120.500 0.502 0.000 2.634 333 R HA 0.461 4.801 4.340 0.000 0.000 0.263 333 R C -1.761 174.685 176.300 0.244 0.000 1.060 333 R CA -1.072 55.173 56.100 0.242 0.000 0.898 333 R CB 1.423 31.885 30.300 0.271 0.000 1.253 333 R HN 0.458 nan 8.270 nan 0.000 0.461 334 E N 2.100 122.345 120.200 0.074 0.000 2.199 334 E HA 0.475 4.825 4.350 0.000 0.000 0.265 334 E C -1.289 175.367 176.600 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 0.219 0.000 1.148 334 E HN 0.430 nan 8.360 nan 0.000 0.412 335 V N 5.488 125.456 119.914 0.090 0.000 2.417 335 V HA 0.584 4.704 4.120 0.000 0.000 0.291 335 V C -0.183 175.944 176.094 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 33.091 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 0.050 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 1.834 122.425 120.570 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 39.715 38.000 0.029 0.000 1.345 337 I HN 0.668 nan 8.210 nan 0.000 0.461 338 E N 6.263 126.477 120.200 0.024 0.000 2.263 338 E HA 0.222 4.572 4.350 0.000 0.000 0.268 338 E C -0.385 176.226 176.600 0.018 0.000 0.884 338 E CA -0.627 55.789 56.400 0.026 0.000 0.766 338 E CB 1.049 30.769 29.700 0.034 0.000 1.196 338 E HN 0.549 nan 8.360 nan 0.000 0.416 339 N N 3.439 122.150 118.700 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 1.961 55.019 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 -1.988 106.817 108.800 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 0.621 45.722 45.100 0.001 0.000 0.641 340 G HN 0.519 nan 8.290 nan 0.000 0.533 341 L N -0.162 121.056 121.223 -0.008 0.000 2.354 341 L HA 0.748 5.088 4.340 0.000 0.000 0.269 341 L C -0.102 176.757 176.870 -0.018 0.000 1.005 341 L CA -1.361 53.467 54.840 -0.021 0.000 0.819 341 L CB 1.898 43.943 42.059 -0.022 0.000 1.311 341 L HN 0.077 nan 8.230 nan 0.000 0.423 342 L N 3.737 124.938 121.223 -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 42.504 42.059 -0.061 0.000 1.184 342 L HN 0.378 nan 8.230 nan 0.000 0.429 343 L N 5.671 126.883 121.223 -0.017 0.000 2.333 343 L HA 0.612 4.952 4.340 0.000 0.000 0.269 343 L C -0.870 176.001 176.870 0.001 0.000 1.010 343 L CA -0.842 53.995 54.840 -0.004 0.000 0.818 343 L CB 1.994 44.071 42.059 0.031 0.000 1.306 343 L HN 0.558 nan 8.230 nan 0.000 0.430 344 L N 2.689 123.924 121.223 0.019 0.000 2.376 344 L HA 0.495 4.835 4.340 0.000 0.000 0.275 344 L C -0.475 176.427 176.870 0.052 0.000 0.987 344 L CA -0.233 54.628 54.840 0.036 0.000 0.828 344 L CB 1.099 43.176 42.059 0.031 0.000 1.249 344 L HN 0.648 nan 8.230 nan 0.000 0.409 345 N N 4.114 122.741 118.700 -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 1.413 54.135 53.050 -0.546 0.000 0.727 345 N CB -1.161 36.890 38.487 -0.727 0.000 0.950 345 N HN 1.172 nan 8.380 nan 0.000 0.541 346 G N -1.993 106.793 108.800 -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 -0.058 174.880 174.900 0.063 0.000 0.988 346 G CA 0.841 46.006 45.100 0.109 0.000 0.625 346 G HN 0.501 nan 8.290 nan 0.000 0.527 347 K N 0.996 121.426 120.400 0.050 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 35.086 32.500 -0.150 0.000 1.131 347 K HN 0.048 nan 8.250 nan 0.000 0.431 348 P HA 0.216 nan 4.420 nan 0.000 0.282 348 P C -0.250 176.989 177.300 -0.101 0.000 1.274 348 P CA -0.176 62.881 63.100 -0.072 0.000 0.770 348 P CB 0.552 32.211 31.700 -0.069 0.000 0.867 349 L N 3.412 124.570 121.223 -0.109 0.000 2.456 349 L HA 0.421 4.761 4.340 0.000 0.000 0.257 349 L C 0.432 177.219 176.870 -0.139 0.000 1.162 349 L CA -0.803 53.960 54.840 -0.128 0.000 0.808 349 L CB 0.567 42.517 42.059 -0.181 0.000 1.136 349 L HN 0.235 nan 8.230 nan 0.000 0.466 350 L N 2.778 123.930 121.223 -0.117 0.000 2.471 350 L HA 0.414 4.754 4.340 0.000 0.000 0.263 350 L C -0.706 176.105 176.870 -0.099 0.000 0.985 350 L CA -0.199 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 0.213 4.383 4.170 0.000 0.000 0.289 351 I C 0.565 176.609 176.117 -0.122 0.000 1.083 351 I CA 0.129 61.315 61.300 -0.189 0.000 1.372 351 I CB 0.522 38.286 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 0.545 176.918 176.300 0.123 0.000 1.370 352 R CA -0.262 55.868 56.100 0.051 0.000 1.482 352 R CB 0.753 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 0.076 108.898 108.800 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 -1.263 173.926 174.900 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 -1.168 175.070 176.094 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 -0.352 0.000 1.119 355 N CA -0.422 52.532 53.050 -0.159 0.000 0.983 355 N CB 1.755 40.134 38.487 -0.180 0.000 1.139 355 N HN 0.670 nan 8.380 nan 0.000 0.465 356 R N 1.689 121.944 120.500 -0.408 0.000 2.533 356 R HA 0.251 4.591 4.340 0.000 0.000 0.288 356 R C -1.191 174.860 176.300 -0.415 0.000 1.039 356 R CA -0.557 55.316 56.100 -0.378 0.000 0.909 356 R CB 1.089 31.175 30.300 -0.358 0.000 1.195 356 R HN 0.579 nan 8.270 nan 0.000 0.438 357 H N 2.003 120.919 119.070 -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 55.772 56.048 -0.106 0.000 1.322 357 H CB 1.668 31.423 29.762 -0.012 0.000 1.544 357 H HN 0.566 nan 8.280 nan 0.000 0.565 358 E N 1.658 122.039 120.200 0.301 0.000 1.963 358 E HA 0.106 4.456 4.350 0.000 0.000 0.274 358 E C -0.765 175.959 176.600 0.207 0.000 1.061 358 E CA 0.007 56.498 56.400 0.151 0.000 0.847 358 E CB 0.148 29.944 29.700 0.160 0.000 1.083 358 E HN 0.398 nan 8.360 nan 0.000 0.402 359 H N 1.601 120.709 119.070 0.062 0.000 2.947 359 H HA 0.229 4.785 4.556 0.000 0.000 0.354 359 H C -1.647 173.707 175.328 0.043 0.000 1.085 359 H CA -0.696 55.383 56.048 0.051 0.000 1.253 359 H CB 1.028 30.811 29.762 0.035 0.000 1.757 359 H HN 0.362 nan 8.280 nan 0.000 0.523 360 H N 6.525 125.272 119.070 -0.537 0.000 2.744 360 H HA 0.196 4.752 4.556 0.000 0.000 0.339 360 H C -2.216 172.699 175.328 -0.689 0.000 1.004 360 H CA -2.442 53.337 56.048 -0.448 0.000 1.257 360 H CB 2.441 32.058 29.762 -0.240 0.000 1.552 360 H HN 0.558 nan 8.280 nan 0.000 0.522 361 P HA -0.153 nan 4.420 nan 0.000 0.216 361 P C 1.392 178.580 177.300 -0.188 0.000 1.150 361 P CA 1.017 63.929 63.100 -0.314 0.000 0.843 361 P CB 0.798 32.341 31.700 -0.263 0.000 0.787 362 L N -2.007 119.236 121.223 0.033 0.000 2.262 362 L HA 0.051 4.391 4.340 0.000 0.000 0.197 362 L C 2.444 179.226 176.870 -0.146 0.000 1.073 362 L CA 0.846 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 1.551 110.254 108.800 -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 0.581 175.371 174.900 -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 0.445 4.785 4.340 0.000 0.000 0.205 365 Q C 0.304 176.324 176.000 0.034 0.000 0.896 365 Q CA -0.037 55.702 55.803 -0.107 0.000 0.950 365 Q CB 0.769 29.335 28.738 -0.286 0.000 1.054 365 Q HN 0.372 nan 8.270 nan 0.000 0.482 366 V N 1.865 121.807 119.914 0.046 0.000 2.432 366 V HA 0.212 4.332 4.120 0.000 0.000 0.275 366 V C 0.126 176.259 176.094 0.065 0.000 1.043 366 V CA -0.255 62.097 62.300 0.087 0.000 0.925 366 V CB 1.000 32.827 31.823 0.006 0.000 0.985 366 V HN 0.323 nan 8.190 nan 0.000 0.466 367 M N 4.442 124.080 119.600 0.064 0.000 2.444 367 M HA 0.562 5.042 4.480 0.000 0.000 0.319 367 M C -0.447 175.810 176.300 -0.072 0.000 1.183 367 M CA -0.601 54.695 55.300 -0.005 0.000 1.032 367 M CB 1.455 34.009 32.600 -0.077 0.000 1.569 367 M HN 0.973 nan 8.290 nan 0.000 0.468 368 D N -2.278 118.085 120.400 -0.062 0.000 2.655 368 D HA 0.213 4.853 4.640 0.000 0.000 0.229 368 D C 0.196 176.491 176.300 -0.008 0.000 1.229 368 D CA -0.692 53.279 54.000 -0.049 0.000 0.807 368 D CB 1.295 42.101 40.800 0.010 0.000 1.514 368 D HN 0.665 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 1.845 58.284 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 0.571 nan 8.360 nan 0.000 0.456 370 Q N -0.331 119.521 119.800 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 2.506 58.367 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 1.163 115.788 114.554 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 1.637 63.814 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 1.682 57.125 55.300 0.238 0.000 1.091 372 M CB -0.924 31.845 32.600 0.281 0.000 1.309 372 M HN 0.125 nan 8.290 nan 0.000 0.407 373 V N -0.135 119.853 119.914 0.122 0.000 2.332 373 V HA -0.305 3.815 4.120 0.000 0.000 0.248 373 V C 2.289 178.379 176.094 -0.008 0.000 1.055 373 V CA 2.053 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 -0.193 119.648 119.800 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 2.280 58.138 55.803 0.090 0.000 0.851 374 Q CB -0.178 28.627 28.738 0.112 0.000 0.911 374 Q HN 0.625 nan 8.270 nan 0.000 0.418 375 D N 0.247 120.750 120.400 0.172 0.000 2.116 375 D HA -0.190 4.450 4.640 0.000 0.000 0.193 375 D C 1.884 178.179 176.300 -0.009 0.000 0.998 375 D CA 1.221 55.345 54.000 0.206 0.000 0.836 375 D CB -0.314 40.581 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 2.468 178.476 176.117 -0.181 0.000 1.085 376 I CA 0.712 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 0.211 121.362 121.223 -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 1.731 56.572 54.840 0.003 0.000 0.748 377 L CB -0.821 41.253 42.059 0.025 0.000 0.891 377 L HN 0.341 nan 8.230 nan 0.000 0.431 378 L N -0.861 120.459 121.223 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 1.575 56.589 54.840 0.289 0.000 0.749 378 L CB -0.409 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 -0.620 119.016 119.600 0.060 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 -0.504 31.830 32.600 -0.444 0.000 1.321 379 M HN 0.135 nan 8.290 nan 0.000 0.405 380 K N 0.199 120.574 120.400 -0.042 0.000 2.063 380 K HA -0.212 4.108 4.320 0.000 0.000 0.208 380 K C 1.902 178.474 176.600 -0.048 0.000 1.048 380 K CA 1.595 57.749 56.287 -0.222 0.000 0.928 380 K CB -0.327 31.854 32.500 -0.532 0.000 0.713 380 K HN 0.557 nan 8.250 nan 0.000 0.442 381 Q N 0.113 120.049 119.800 0.226 0.000 2.291 381 Q HA -0.035 4.305 4.340 0.000 0.000 0.205 381 Q C 0.991 177.269 176.000 0.463 0.000 0.970 381 Q CA 0.625 56.682 55.803 0.423 0.000 0.876 381 Q CB 0.070 29.039 28.738 0.384 0.000 0.935 381 Q HN 0.286 nan 8.270 nan 0.000 0.455 382 N N 0.679 119.622 118.700 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 0.648 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 -0.135 118.687 118.700 0.203 0.000 2.882 383 N HA -0.168 4.572 4.740 0.000 0.000 0.249 383 N C -0.767 174.655 175.510 -0.147 0.000 1.079 383 N CA 0.629 53.717 53.050 0.063 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 1.343 121.304 119.950 0.018 0.000 2.371 384 F HA 0.338 4.865 4.527 0.000 0.000 0.329 384 F C 1.832 177.618 175.800 -0.024 0.000 1.107 384 F CA -0.308 57.685 58.000 -0.011 0.000 1.137 384 F CB 0.775 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 0.422 119.241 118.700 0.198 0.000 2.118 385 N HA 0.406 5.146 4.740 0.000 0.000 0.226 385 N C -0.872 174.701 175.510 0.106 0.000 1.305 385 N CA 0.062 53.163 53.050 0.084 0.000 0.890 385 N CB 0.704 39.282 38.487 0.152 0.000 1.118 385 N HN 0.472 nan 8.380 nan 0.000 0.511 386 A N -0.350 122.597 122.820 0.211 0.000 2.606 386 A HA 0.768 5.088 4.320 0.000 0.000 0.293 386 A C -1.707 176.099 177.584 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 0.380 0.000 1.284 386 A HN 0.364 nan 8.150 nan 0.000 0.408 387 V N 0.966 121.120 119.914 0.401 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 1.173 nan 8.190 nan 0.000 0.427 388 R N 4.712 125.128 120.500 -0.141 0.000 2.387 388 R HA 0.497 4.837 4.340 0.000 0.000 0.314 388 R C -0.764 175.370 176.300 -0.277 0.000 0.958 388 R CA -0.477 55.387 56.100 -0.395 0.000 0.846 388 R CB 1.159 30.944 30.300 -0.857 0.000 1.147 388 R HN 0.855 nan 8.270 nan 0.000 0.447 389 C N 4.342 123.518 119.300 -0.206 0.000 3.329 389 C HA 0.100 4.560 4.460 0.000 0.000 0.537 389 C C 0.515 175.209 174.990 -0.493 0.000 1.034 389 C CA -0.453 58.397 59.018 -0.280 0.000 1.086 389 C CB -2.177 25.508 27.740 -0.091 0.000 1.392 389 C HN 0.700 nan 8.230 nan 0.000 0.612 390 S N 1.474 116.760 115.700 -0.689 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 -1.438 0.000 1.232 390 S CA 0.154 57.669 58.200 -1.141 0.000 1.066 390 S CB 0.066 62.495 63.200 -1.285 0.000 0.929 390 S HN 0.739 nan 8.310 nan 0.000 0.494 391 H N 3.489 121.934 119.070 -1.042 0.000 2.597 391 H HA 0.302 4.858 4.556 0.000 0.000 0.225 391 H C -1.180 173.996 175.328 -0.252 0.000 1.422 391 H CA -0.365 55.443 56.048 -0.401 0.000 1.335 391 H CB -0.054 29.682 29.762 -0.043 0.000 1.783 391 H HN 0.895 nan 8.280 nan 0.000 0.513 392 Y N -2.671 117.739 120.300 0.184 0.000 2.841 392 Y HA 0.377 4.927 4.550 0.000 0.000 0.373 392 Y C -3.328 172.681 175.900 0.181 0.000 1.170 392 Y CA -2.899 55.314 58.100 0.189 0.000 1.196 392 Y CB -0.064 38.513 38.460 0.194 0.000 1.433 392 Y HN -0.081 nan 8.280 nan 0.000 0.479 393 P HA 0.187 nan 4.420 nan 0.000 0.271 393 P C -0.687 176.923 177.300 0.517 0.000 1.216 393 P CA 0.132 63.502 63.100 0.449 0.000 0.776 393 P CB 0.648 32.540 31.700 0.320 0.000 0.881 394 N N 0.297 119.314 118.700 0.528 0.000 2.478 394 N HA 0.104 4.844 4.740 0.000 0.000 0.275 394 N C 0.046 175.817 175.510 0.434 0.000 1.221 394 N CA -0.609 52.659 53.050 0.362 0.000 0.979 394 N CB 0.416 38.885 38.487 -0.030 0.000 1.202 394 N HN 0.595 nan 8.380 nan 0.000 0.564 395 H N 1.965 121.152 119.070 0.195 0.000 3.034 395 H HA 0.007 4.563 4.556 0.000 0.000 0.324 395 H C -1.748 173.791 175.328 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 30.816 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 1.846 179.487 177.300 0.570 0.000 1.151 396 P CA 0.843 64.186 63.100 0.405 0.000 0.849 396 P CB 0.167 31.897 31.700 0.051 0.000 0.787 397 L N -1.221 120.426 121.223 0.707 0.000 2.131 397 L HA -0.079 4.261 4.340 0.000 0.000 0.210 397 L C 2.316 179.426 176.870 0.400 0.000 1.092 397 L CA 1.475 56.620 54.840 0.509 0.000 0.759 397 L CB -1.418 40.929 42.059 0.480 0.000 0.903 397 L HN 0.060 nan 8.230 nan 0.000 0.435 398 W N -0.263 121.137 121.300 0.167 0.000 2.302 398 W HA -0.395 4.265 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 2.207 59.498 57.345 -0.089 0.000 1.264 398 W CB -0.490 28.785 29.460 -0.309 0.000 1.154 398 W HN 0.283 nan 8.180 nan 0.000 0.483 399 Y N 0.635 120.892 120.300 -0.071 0.000 2.207 399 Y HA -0.244 4.306 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 2.143 59.966 58.100 -0.463 0.000 1.182 399 Y CB -1.427 36.463 38.460 -0.949 0.000 0.979 399 Y HN -0.173 nan 8.280 nan 0.000 0.521 400 T N 0.582 115.175 114.554 0.064 0.000 2.777 400 T HA -0.134 4.216 4.350 0.000 0.000 0.266 400 T C 2.047 176.786 174.700 0.065 0.000 1.040 400 T CA 1.274 63.466 62.100 0.153 0.000 1.141 400 T CB -0.548 68.459 68.868 0.232 0.000 0.868 400 T HN 0.223 nan 8.240 nan 0.000 0.444 401 L N 0.506 121.744 121.223 0.024 0.000 2.012 401 L HA -0.160 4.180 4.340 0.000 0.000 0.210 401 L C 2.906 179.780 176.870 0.006 0.000 1.073 401 L CA 1.136 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 -0.359 118.770 119.300 -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 0.393 59.260 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 0.491 120.910 120.400 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 1.160 55.243 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 -0.750 119.818 120.500 0.114 0.000 2.075 404 R HA -0.022 4.318 4.340 0.000 0.000 0.226 404 R C 2.267 178.496 176.300 -0.119 0.000 1.114 404 R CA 0.593 56.688 56.100 -0.008 0.000 0.972 404 R CB -0.366 29.847 30.300 -0.144 0.000 0.869 404 R HN 0.305 nan 8.270 nan 0.000 0.437 405 Y N 0.410 120.725 120.300 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 0.919 59.002 58.100 -0.028 0.000 1.201 405 Y CB 0.472 38.885 38.460 -0.079 0.000 1.011 405 Y HN 0.309 nan 8.280 nan 0.000 0.545 406 G N 1.111 109.939 108.800 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 1.037 122.166 121.223 -0.157 0.000 2.464 407 L HA 0.464 4.804 4.340 0.000 0.000 0.266 407 L C 0.009 176.835 176.870 -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 2.084 122.479 120.300 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 -0.585 57.636 58.100 0.202 0.000 1.381 408 Y CB 1.133 39.702 38.460 0.182 0.000 1.273 408 Y HN 0.155 nan 8.280 nan 0.000 0.546 409 V N 3.629 123.704 119.914 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 0.157 0.000 0.913 409 V CB 2.023 33.895 31.823 0.082 0.000 1.005 409 V HN 0.455 nan 8.190 nan 0.000 0.428 410 V N 2.597 122.547 119.914 0.060 0.000 2.328 410 V HA 0.358 4.478 4.120 0.000 0.000 0.278 410 V C -0.388 175.733 176.094 0.044 0.000 1.021 410 V CA -0.409 61.889 62.300 -0.004 0.000 0.838 410 V CB 1.425 33.172 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 0.315 4.955 4.640 0.000 0.000 0.250 411 D C -0.215 176.256 176.300 0.286 0.000 1.113 411 D CA 0.039 54.190 54.000 0.253 0.000 0.871 411 D CB 1.292 42.289 40.800 0.329 0.000 1.167 411 D HN 0.710 nan 8.370 nan 0.000 0.447 412 E N 1.713 122.058 120.200 0.242 0.000 2.248 412 E HA 0.616 4.966 4.350 0.000 0.000 0.267 412 E C -1.131 175.608 176.600 0.231 0.000 0.877 412 E CA -1.075 55.456 56.400 0.218 0.000 0.759 412 E CB 1.417 31.197 29.700 0.132 0.000 1.182 412 E HN 0.451 nan 8.360 nan 0.000 0.418 413 A N 3.647 126.599 122.820 0.220 0.000 2.445 413 A HA 0.078 4.398 4.320 0.000 0.000 0.242 413 A C 0.337 178.048 177.584 0.212 0.000 1.075 413 A CA -0.274 51.876 52.037 0.188 0.000 0.777 413 A CB 0.172 19.250 19.000 0.130 0.000 1.013 413 A HN 0.685 nan 8.150 nan 0.000 0.493 414 N N 1.471 120.305 118.700 0.223 0.000 2.892 414 N HA 0.193 4.933 4.740 0.000 0.000 0.300 414 N C -0.921 174.718 175.510 0.215 0.000 1.211 414 N CA 0.279 53.490 53.050 0.270 0.000 1.158 414 N CB -0.900 37.754 38.487 0.278 0.000 1.455 414 N HN 0.469 nan 8.380 nan 0.000 0.524 415 I N 0.674 121.363 120.570 0.199 0.000 2.534 415 I HA 0.270 4.440 4.170 0.000 0.000 0.286 415 I C -0.621 175.590 176.117 0.156 0.000 1.094 415 I CA -0.688 60.710 61.300 0.163 0.000 1.055 415 I CB 1.973 40.044 38.000 0.119 0.000 1.225 415 I HN 0.215 nan 8.210 nan 0.000 0.435 416 E N 4.189 124.478 120.200 0.149 0.000 2.278 416 E HA 0.413 4.763 4.350 0.000 0.000 0.272 416 E C -0.528 176.144 176.600 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 0.535 115.153 114.554 0.105 0.000 3.380 417 T HA 0.138 4.488 4.350 0.000 0.000 0.289 417 T C 0.972 175.736 174.700 0.106 0.000 1.012 417 T CA -0.286 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 1.189 120.190 119.070 -0.116 0.000 2.362 418 H HA -0.133 4.423 4.556 0.000 0.000 0.294 418 H C 2.265 177.470 175.328 -0.205 0.000 1.113 418 H CA 1.440 57.385 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 0.230 108.868 108.800 -0.270 0.000 2.650 419 G HA2 -0.042 3.918 3.960 0.000 0.000 0.214 419 G HA3 -0.042 3.918 3.960 0.000 0.000 0.214 419 G C 0.645 175.626 174.900 0.135 0.000 1.136 419 G CA -0.141 44.820 45.100 -0.232 0.000 0.789 419 G HN 0.148 nan 8.290 nan 0.000 0.536 420 M N 0.149 119.880 119.600 0.219 0.000 2.131 420 M HA 0.314 4.794 4.480 0.000 0.000 0.283 420 M C -0.313 176.022 176.300 0.058 0.000 1.225 420 M CA 0.145 55.538 55.300 0.154 0.000 1.153 420 M CB 1.080 33.726 32.600 0.077 0.000 1.380 420 M HN -0.161 nan 8.290 nan 0.000 0.458 421 V N 2.154 122.081 119.914 0.021 0.000 2.653 421 V HA 0.296 4.416 4.120 0.000 0.000 0.298 421 V C -2.113 173.973 176.094 -0.014 0.000 1.097 421 V CA -1.310 60.990 62.300 0.000 0.000 0.908 421 V CB 1.937 33.758 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 1.134 178.434 177.300 0.001 0.000 1.250 422 P CA -0.456 62.640 63.100 -0.007 0.000 0.793 422 P CB 0.857 32.555 31.700 -0.004 0.000 1.011 423 M N 0.884 120.491 119.600 0.012 0.000 2.255 423 M HA -0.232 4.248 4.480 0.000 0.000 0.259 423 M C 1.087 177.405 176.300 0.029 0.000 1.071 423 M CA 2.160 57.477 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 -0.263 118.451 118.700 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 0.072 53.130 53.050 0.013 0.000 0.843 424 N CB -0.592 37.925 38.487 0.050 0.000 1.024 424 N HN 0.348 nan 8.380 nan 0.000 0.501 425 R N 0.616 121.072 120.500 -0.074 0.000 2.134 425 R HA -0.090 4.250 4.340 0.000 0.000 0.248 425 R C 1.547 177.727 176.300 -0.201 0.000 1.143 425 R CA 1.889 57.920 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 -0.994 120.043 121.223 -0.311 0.000 2.168 426 L HA 0.004 4.344 4.340 0.000 0.000 0.203 426 L C 2.476 179.163 176.870 -0.305 0.000 1.078 426 L CA 1.283 55.809 54.840 -0.524 0.000 0.780 426 L CB -0.770 40.699 42.059 -0.985 0.000 0.939 426 L HN 0.366 nan 8.230 nan 0.000 0.451 427 T N -3.664 110.749 114.554 -0.235 0.000 2.929 427 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 1.085 427 T CA 1.438 63.380 62.100 -0.263 0.000 1.125 427 T CB -0.351 68.328 68.868 -0.315 0.000 0.874 427 T HN 0.132 nan 8.240 nan 0.000 0.494 428 D N 1.306 121.627 120.400 -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 53.720 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 -0.592 119.792 120.400 -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 2.235 43.107 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 1.105 178.414 177.300 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 -1.802 118.713 120.500 0.025 0.000 2.211 431 R HA -0.143 4.197 4.340 0.000 0.000 0.240 431 R C 1.771 177.927 176.300 -0.240 0.000 1.144 431 R CA 1.457 57.491 56.100 -0.110 0.000 0.992 431 R CB -0.831 29.377 30.300 -0.155 0.000 0.869 431 R HN 0.365 nan 8.270 nan 0.000 0.462 432 W N -0.045 121.196 121.300 -0.098 0.000 3.278 432 W HA 0.146 4.806 4.660 0.000 0.000 0.308 432 W C 1.586 178.043 176.519 -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 29.363 29.460 -0.106 0.000 1.093 432 W HN -0.002 nan 8.180 nan 0.000 0.648 433 L N 2.380 123.650 121.223 0.078 0.000 2.042 433 L HA -0.078 4.262 4.340 0.000 0.000 0.210 433 L C -0.750 176.092 176.870 -0.047 0.000 1.076 433 L CA 2.307 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 -0.104 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 65.119 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 2.309 54.345 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 -0.172 119.450 119.600 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 1.915 57.210 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 0.533 116.158 115.700 -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 0.649 120.744 120.200 -0.176 0.000 2.110 438 E HA -0.136 4.214 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 1.012 57.318 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 -0.105 4.235 4.340 0.000 0.000 0.234 439 R C 2.348 178.608 176.300 -0.067 0.000 1.123 439 R CA 0.915 56.994 56.100 -0.036 0.000 0.975 439 R CB -0.015 30.298 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 2.009 64.210 62.300 -0.165 0.000 1.044 440 V CB -0.392 31.318 31.823 -0.188 0.000 0.688 440 V HN 0.512 nan 8.190 nan 0.000 0.462 441 T N -0.219 114.065 114.554 -0.451 0.000 2.665 441 T HA -0.309 4.041 4.350 0.000 0.000 0.268 441 T C 1.946 176.516 174.700 -0.215 0.000 1.035 441 T CA 1.769 63.542 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 0.402 nan 8.240 nan 0.000 0.438 442 R N 0.463 120.852 120.500 -0.184 0.000 2.081 442 R HA 0.075 4.415 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 1.635 57.661 56.100 -0.124 0.000 0.960 442 R CB -0.544 29.692 30.300 -0.108 0.000 0.856 442 R HN 0.487 nan 8.270 nan 0.000 0.436 443 M N 0.813 120.359 119.600 -0.090 0.000 2.080 443 M HA -0.183 4.297 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 1.748 57.022 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 2.185 64.210 62.300 -0.459 0.000 1.038 444 V CB -0.965 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 -0.752 118.978 119.800 -0.116 0.000 2.135 445 Q HA -0.242 4.098 4.340 0.000 0.000 0.204 445 Q C 2.513 178.439 176.000 -0.123 0.000 0.981 445 Q CA 1.789 57.539 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 0.099 120.519 120.500 -0.134 0.000 2.075 446 R HA -0.094 4.246 4.340 0.000 0.000 0.226 446 R C 0.585 176.805 176.300 -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 -0.184 120.203 120.400 -0.022 0.000 2.369 447 D HA -0.010 4.630 4.640 0.000 0.000 0.211 447 D C 1.407 177.807 176.300 0.167 0.000 1.077 447 D CA 0.178 54.214 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 0.811 121.421 120.500 0.185 0.000 2.303 448 R HA -0.002 4.338 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 1.095 57.317 56.100 0.204 0.000 1.007 448 R CB -0.420 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 0.284 118.887 118.700 -0.161 0.000 2.412 449 N HA -0.033 4.707 4.740 0.000 0.000 0.184 449 N C -0.406 174.957 175.510 -0.245 0.000 1.101 449 N CA 0.254 53.162 53.050 -0.235 0.000 0.881 449 N CB 0.060 38.356 38.487 -0.317 0.000 0.969 449 N HN 0.369 nan 8.380 nan 0.000 0.459 450 H N 1.576 120.560 119.070 -0.142 0.000 2.742 450 H HA 0.096 4.652 4.556 0.000 0.000 0.302 450 H C -1.202 173.962 175.328 -0.274 0.000 1.069 450 H CA -1.204 54.742 56.048 -0.171 0.000 1.446 450 H CB 1.539 31.236 29.762 -0.107 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 1.166 63.922 63.100 -0.574 0.000 0.822 451 P CB 0.213 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 0.170 58.213 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 -0.070 nan 8.310 nan 0.000 0.507 453 V N 3.479 123.316 119.914 -0.127 0.000 2.470 453 V HA 0.262 4.382 4.120 0.000 0.000 0.276 453 V C 0.984 176.929 176.094 -0.248 0.000 1.040 453 V CA -0.076 62.116 62.300 -0.181 0.000 1.008 453 V CB 0.612 32.232 31.823 -0.337 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 -0.210 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 0.246 120.664 120.570 -0.254 0.000 2.752 455 I HA 0.369 4.539 4.170 0.000 0.000 0.295 455 I C -1.626 174.371 176.117 -0.199 0.000 1.219 455 I CA -0.433 60.761 61.300 -0.177 0.000 1.030 455 I CB 2.169 40.163 38.000 -0.009 0.000 1.259 455 I HN 0.014 nan 8.210 nan 0.000 0.423 456 W N 3.550 124.895 121.300 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 -0.703 56.692 57.345 0.085 0.000 1.222 456 W CB 1.725 31.229 29.460 0.074 0.000 1.304 456 W HN 0.309 nan 8.180 nan 0.000 0.547 457 S N 2.898 118.828 115.700 0.383 0.000 2.532 457 S HA 0.390 4.860 4.470 0.000 0.000 0.299 457 S C 0.251 175.020 174.600 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 4.097 125.486 121.223 0.275 0.000 2.610 458 L HA 0.317 4.657 4.340 0.000 0.000 0.232 458 L C 1.425 178.390 176.870 0.158 0.000 1.149 458 L CA 0.578 55.517 54.840 0.165 0.000 0.872 458 L CB -1.218 40.845 42.059 0.007 0.000 0.992 458 L HN 0.998 nan 8.230 nan 0.000 0.447 459 G N -0.005 108.960 108.800 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 -1.662 173.430 174.900 0.320 0.000 1.325 459 G CA -0.529 44.728 45.100 0.262 0.000 1.091 459 G HN 0.183 nan 8.290 nan 0.000 0.476 460 N N 0.185 119.025 118.700 0.234 0.000 2.504 460 N HA 0.438 5.178 4.740 0.000 0.000 0.268 460 N C -0.530 174.944 175.510 -0.060 0.000 1.184 460 N CA 0.149 53.195 53.050 -0.007 0.000 0.875 460 N CB 1.397 39.620 38.487 -0.441 0.000 1.630 460 N HN 0.947 nan 8.380 nan 0.000 0.486 461 E N 0.720 120.791 120.200 -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 -1.563 27.644 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 64.775 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 -0.500 174.620 174.900 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 0.499 119.698 119.070 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 0.298 0.000 1.004 464 H CA 0.089 56.291 56.048 0.257 0.000 1.288 464 H CB 0.935 30.776 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 -0.238 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 1.986 466 A HA -0.120 4.200 4.320 0.000 0.000 0.220 466 A C 2.116 179.663 177.584 -0.061 0.000 1.171 466 A CA 2.047 54.026 52.037 -0.097 0.000 0.640 466 A CB -0.460 18.508 19.000 -0.052 0.000 0.811 466 A HN 0.549 nan 8.150 nan 0.000 0.451 467 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 1.371 176.818 175.510 -0.106 0.000 1.015 467 N CA 1.726 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 0.802 nan 8.380 nan 0.000 0.429 468 H N 0.485 119.509 119.070 -0.076 0.000 2.321 468 H HA -0.038 4.518 4.556 0.000 0.000 0.300 468 H C 1.275 176.654 175.328 0.086 0.000 1.087 468 H CA 1.328 57.347 56.048 -0.048 0.000 1.319 468 H CB 0.130 29.856 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 0.243 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 1.244 55.386 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 2.407 180.102 177.584 0.184 0.000 1.181 470 A CA 1.020 53.144 52.037 0.145 0.000 0.627 470 A CB -0.742 18.301 19.000 0.072 0.000 0.818 470 A HN 0.217 nan 8.150 nan 0.000 0.445 471 L N -2.315 119.005 121.223 0.162 0.000 2.109 471 L HA -0.131 4.209 4.340 0.000 0.000 0.207 471 L C 2.561 179.580 176.870 0.249 0.000 1.086 471 L CA 1.474 56.411 54.840 0.161 0.000 0.760 471 L CB -0.681 41.406 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 1.598 59.783 58.100 0.142 0.000 1.135 472 Y CB -0.206 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 2.115 178.418 176.300 0.005 0.000 1.137 473 R CA 2.047 58.199 56.100 0.086 0.000 0.951 473 R CB -1.734 28.687 30.300 0.202 0.000 0.851 473 R HN 0.680 nan 8.270 nan 0.000 0.434 474 W N 1.243 122.504 121.300 -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 1.952 59.243 57.345 -0.090 0.000 1.266 474 W CB -0.442 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 0.649 121.205 120.570 -0.025 0.000 2.226 475 I HA -0.335 3.835 4.170 0.000 0.000 0.245 475 I C 2.405 178.288 176.117 -0.391 0.000 1.100 475 I CA 1.338 62.452 61.300 -0.311 0.000 1.374 475 I CB -0.911 36.987 38.000 -0.169 0.000 1.057 475 I HN -0.092 nan 8.210 nan 0.000 0.413 476 K N 1.103 121.302 120.400 -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 1.661 57.777 56.287 -0.285 0.000 0.928 476 K CB -0.589 31.730 32.500 -0.301 0.000 0.716 476 K HN 0.354 nan 8.250 nan 0.000 0.446 477 S N 0.402 115.912 115.700 -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 0.796 58.817 58.200 -0.298 0.000 0.965 477 S CB -0.170 62.867 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 0.380 176.238 176.094 -0.395 0.000 1.046 478 V CA 1.251 63.182 62.300 -0.616 0.000 1.053 478 V CB -0.257 30.877 31.823 -1.148 0.000 0.679 478 V HN 0.394 nan 8.190 nan 0.000 0.458 479 D N -0.882 119.323 120.400 -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 -1.656 52.269 54.000 -0.124 0.000 0.973 479 D CB 1.902 42.709 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 0.287 63.375 63.100 -0.019 0.000 0.781 480 P CB 0.288 31.967 31.700 -0.034 0.000 0.931 481 S N -0.604 115.124 115.700 0.047 0.000 2.481 481 S HA -0.004 4.466 4.470 0.000 0.000 0.231 481 S C 0.890 175.520 174.600 0.049 0.000 0.996 481 S CA 0.101 58.333 58.200 0.053 0.000 0.942 481 S CB -0.434 62.792 63.200 0.043 0.000 0.768 481 S HN 0.088 nan 8.310 nan 0.000 0.520 482 R N 0.824 121.373 120.500 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 -2.322 53.799 56.100 0.035 0.000 0.901 482 R CB 1.438 31.650 30.300 -0.146 0.000 1.207 482 R HN 0.142 nan 8.270 nan 0.000 0.463 483 P HA 0.219 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 0.866 32.611 31.700 0.075 0.000 1.006 484 V N 2.138 122.176 119.914 0.207 0.000 2.555 484 V HA 0.451 4.571 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 1.374 33.349 31.823 0.253 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 -1.798 174.364 176.000 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 31.765 28.738 0.121 0.000 1.419 485 Q HN 0.652 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 -0.633 57.455 58.100 -0.021 0.000 1.095 486 Y CB 2.016 40.459 38.460 -0.030 0.000 1.302 486 Y HN 0.958 nan 8.280 nan 0.000 0.429 487 E N 3.554 123.280 120.200 -0.789 0.000 2.250 487 E HA 0.113 4.463 4.350 0.000 0.000 0.192 487 E C 0.748 176.918 176.600 -0.718 0.000 0.986 487 E CA 0.798 56.837 56.400 -0.602 0.000 0.849 487 E CB 0.188 29.650 29.700 -0.397 0.000 0.797 487 E HN 0.900 nan 8.360 nan 0.000 0.482 488 G N 0.004 107.976 108.800 -1.379 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 0.789 175.552 174.900 -0.229 0.000 1.267 488 G CA 0.371 45.061 45.100 -0.683 0.000 0.863 488 G HN 0.383 nan 8.290 nan 0.000 0.559 489 G N -0.357 108.407 108.800 -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 46.121 45.100 0.033 0.000 0.807 489 G HN 2.636 nan 8.290 nan 0.000 0.502 490 G N -1.662 107.132 108.800 -0.009 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 1.104 176.103 174.900 0.164 0.000 1.000 490 G CA 1.307 46.456 45.100 0.082 0.000 0.663 490 G HN 2.356 nan 8.290 nan 0.000 0.493 491 A N -0.221 122.591 122.820 -0.013 0.000 3.413 491 A HA -0.107 4.213 4.320 0.000 0.000 0.268 491 A C 1.103 178.648 177.584 -0.066 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 -0.148 0.000 1.121 491 A HN 2.109 nan 8.150 nan 0.000 0.895 492 D N -1.164 119.264 120.400 0.046 0.000 2.636 492 D HA 0.295 4.935 4.640 0.000 0.000 0.270 492 D C 0.460 176.755 176.300 -0.008 0.000 1.430 492 D CA 0.824 54.862 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 -2.660 111.824 114.554 -0.118 0.000 2.698 493 T HA 0.128 4.478 4.350 0.000 0.000 0.295 493 T C 1.625 176.197 174.700 -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 69.606 68.868 -0.586 0.000 1.036 493 T HN 0.056 nan 8.240 nan 0.000 0.526 494 T N -1.573 112.841 114.554 -0.233 0.000 3.007 494 T HA 0.039 4.389 4.350 0.000 0.000 0.270 494 T C 1.715 176.149 174.700 -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 0.112 122.703 122.820 -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 -0.223 18.774 19.000 -0.006 0.000 0.927 495 A HN 0.504 nan 8.150 nan 0.000 0.497 496 T N -1.691 112.718 114.554 -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 0.049 0.000 1.052 496 T CA -0.469 61.638 62.100 0.011 0.000 0.996 496 T CB 1.350 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 2.537 123.045 120.400 0.179 0.000 2.348 497 D HA 0.305 4.945 4.640 0.000 0.000 0.211 497 D C 0.277 176.614 176.300 0.062 0.000 0.998 497 D CA 0.672 54.762 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 0.524 nan 8.370 nan 0.000 0.524 498 I N 0.603 121.191 120.570 0.029 0.000 2.686 498 I HA 0.262 4.432 4.170 0.000 0.000 0.295 498 I C -0.381 175.681 176.117 -0.091 0.000 1.114 498 I CA -0.947 60.336 61.300 -0.029 0.000 1.038 498 I CB 2.976 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 5.162 125.634 120.570 -0.163 0.000 2.436 499 I HA 0.096 4.266 4.170 0.000 0.000 0.289 499 I C -0.001 175.925 176.117 -0.319 0.000 1.083 499 I CA -0.054 61.064 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 5.496 124.623 119.300 -0.288 0.000 3.414 500 C HA 0.487 4.947 4.460 0.000 0.000 0.208 500 C C -2.224 172.628 174.990 -0.231 0.000 1.422 500 C CA -2.274 56.615 59.018 -0.216 0.000 1.437 500 C CB -0.923 26.748 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 -0.465 176.761 177.300 -0.124 0.000 1.256 501 P CA 0.072 63.049 63.100 -0.206 0.000 0.795 501 P CB 0.726 32.281 31.700 -0.243 0.000 1.038 502 M N -0.163 119.392 119.600 -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 -0.598 54.576 55.300 -0.210 0.000 0.941 502 M CB 1.276 33.727 32.600 -0.249 0.000 1.579 502 M HN 0.349 nan 8.290 nan 0.000 0.427 503 Y N -0.115 120.324 120.300 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 58.668 58.100 0.235 0.000 2.010 503 Y CB -2.256 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 1.272 124.290 122.820 0.329 0.000 2.425 504 A HA 0.580 4.900 4.320 0.000 0.000 0.249 504 A C 0.707 178.485 177.584 0.324 0.000 1.084 504 A CA -0.475 51.758 52.037 0.326 0.000 0.781 504 A CB 0.394 19.612 19.000 0.364 0.000 1.019 504 A HN 0.398 nan 8.150 nan 0.000 0.490 505 R N 1.567 122.195 120.500 0.212 0.000 2.577 505 R HA 0.300 4.640 4.340 0.000 0.000 0.269 505 R C 0.981 177.252 176.300 -0.048 0.000 1.084 505 R CA -0.731 55.429 56.100 0.101 0.000 1.163 505 R CB 0.578 30.912 30.300 0.058 0.000 1.100 505 R HN 0.480 nan 8.270 nan 0.000 0.547 506 V N 0.861 120.596 119.914 -0.299 0.000 2.261 506 V HA -0.228 3.892 4.120 0.000 0.000 0.246 506 V C 1.027 177.001 176.094 -0.201 0.000 1.047 506 V CA 1.934 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 0.624 176.905 176.300 -0.032 0.000 1.120 507 D CA 0.070 54.022 54.000 -0.080 0.000 0.836 507 D CB 0.596 41.353 40.800 -0.071 0.000 1.019 507 D HN 0.690 nan 8.370 nan 0.000 0.507 508 E N 1.184 121.372 120.200 -0.019 0.000 2.191 508 E HA 0.368 4.718 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 55.624 56.400 -0.005 0.000 0.802 508 E CB 1.619 31.313 29.700 -0.010 0.000 1.137 508 E HN -0.295 nan 8.360 nan 0.000 0.397 509 D N 2.336 122.738 120.400 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 -0.170 0.000 1.052 509 D CA -0.219 53.772 54.000 -0.014 0.000 0.909 509 D CB 1.358 42.216 40.800 0.097 0.000 1.186 509 D HN 0.407 nan 8.370 nan 0.000 0.431 510 Q N 1.572 121.157 119.800 -0.358 0.000 2.558 510 Q HA 0.267 4.607 4.340 0.000 0.000 0.252 510 Q C -2.286 173.038 176.000 -1.125 0.000 1.015 510 Q CA -1.594 53.788 55.803 -0.702 0.000 0.720 510 Q CB 2.451 30.814 28.738 -0.625 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 -0.580 0.000 1.826 511 P CA -0.153 62.509 63.100 -0.729 0.000 0.977 511 P CB -0.545 30.931 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 -1.187 174.507 175.800 -0.176 0.000 1.128 512 F CA -2.605 55.294 58.000 -0.168 0.000 1.268 512 F CB -0.449 38.469 39.000 -0.136 0.000 1.161 512 F HN 0.046 nan 8.300 nan 0.000 0.583 513 P HA 0.063 nan 4.420 nan 0.000 0.268 513 P C 0.339 177.657 177.300 0.029 0.000 1.204 513 P CA 0.913 64.032 63.100 0.031 0.000 0.768 513 P CB 1.152 32.871 31.700 0.032 0.000 0.842 514 A N 3.016 125.839 122.820 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 2.064 54.107 52.037 0.010 0.000 1.149 514 A CB -2.638 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 -3.726 116.189 119.914 0.001 0.000 2.703 515 V HA 0.542 4.662 4.120 0.000 0.000 0.290 515 V C -2.640 173.456 176.094 0.004 0.000 1.035 515 V CA -1.103 61.196 62.300 -0.002 0.000 1.185 515 V CB 0.825 32.661 31.823 0.022 0.000 1.178 515 V HN 0.444 nan 8.190 nan 0.000 0.562 516 P HA 0.342 nan 4.420 nan 0.000 0.272 516 P C -0.712 176.117 177.300 -0.784 0.000 1.230 516 P CA 0.091 62.809 63.100 -0.636 0.000 0.788 516 P CB 0.990 31.918 31.700 -1.286 0.000 0.949 517 K N 1.914 121.872 120.400 -0.736 0.000 2.464 517 K HA 0.234 4.554 4.320 0.000 0.000 0.252 517 K C -0.517 175.790 176.600 -0.489 0.000 1.000 517 K CA -0.263 55.785 56.287 -0.399 0.000 0.951 517 K CB 0.697 33.254 32.500 0.094 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 0.533 29.669 29.460 -0.539 0.000 1.133 518 W HN 0.441 nan 8.180 nan 0.000 0.592 519 S N 3.197 119.066 115.700 0.282 0.000 2.558 519 S HA -0.076 4.394 4.470 0.000 0.000 0.288 519 S C 1.081 175.831 174.600 0.249 0.000 1.318 519 S CA -0.209 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 1.098 121.771 120.570 0.171 0.000 2.454 520 I HA -0.160 4.010 4.170 0.000 0.000 0.254 520 I C 1.856 177.989 176.117 0.027 0.000 1.156 520 I CA 1.111 62.511 61.300 0.166 0.000 1.433 520 I CB -0.574 37.456 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 1.607 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 0.696 121.100 120.400 0.007 0.000 2.103 522 K HA -0.150 4.170 4.320 0.000 0.000 0.204 522 K C 1.923 178.524 176.600 0.002 0.000 1.052 522 K CA 0.676 56.949 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 2.038 123.297 121.300 -0.068 0.000 2.321 523 W HA -0.207 4.453 4.660 0.000 0.000 0.306 523 W C 1.549 178.027 176.519 -0.068 0.000 1.217 523 W CA 1.292 58.606 57.345 -0.051 0.000 1.257 523 W CB -0.573 28.957 29.460 0.117 0.000 1.145 523 W HN 0.119 nan 8.180 nan 0.000 0.509 524 L N 0.852 122.217 121.223 0.237 0.000 2.127 524 L HA -0.254 4.086 4.340 0.000 0.000 0.211 524 L C 2.564 179.487 176.870 0.087 0.000 1.089 524 L CA 1.909 56.829 54.840 0.133 0.000 0.757 524 L CB -0.989 41.127 42.059 0.095 0.000 0.899 524 L HN -0.004 nan 8.230 nan 0.000 0.434 525 S N -0.955 114.773 115.700 0.047 0.000 2.558 525 S HA 0.109 4.579 4.470 0.000 0.000 0.217 525 S C 0.824 175.396 174.600 -0.048 0.000 0.975 525 S CA -0.408 57.793 58.200 0.001 0.000 0.912 525 S CB -0.462 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 2.524 123.701 121.223 -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 53.217 54.840 -0.134 0.000 0.871 526 L CB -0.419 41.525 42.059 -0.192 0.000 1.121 526 L HN 0.065 nan 8.230 nan 0.000 0.501 527 P HA -0.011 nan 4.420 nan 0.000 0.260 527 P C 0.842 178.130 177.300 -0.019 0.000 1.185 527 P CA 0.932 64.006 63.100 -0.044 0.000 0.763 527 P CB 0.625 32.294 31.700 -0.051 0.000 0.776 528 G N 2.067 110.863 108.800 -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 0.076 45.181 45.100 0.008 0.000 0.625 528 G HN 0.627 nan 8.290 nan 0.000 0.527 529 E N 1.242 121.460 120.200 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 0.833 57.265 56.400 0.053 0.000 0.887 529 E CB 0.768 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 0.749 115.323 114.554 0.033 0.000 3.009 530 T HA 0.311 4.661 4.350 0.000 0.000 0.267 530 T C 0.625 175.333 174.700 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 68.971 68.868 0.020 0.000 1.192 530 T HN 0.265 nan 8.240 nan 0.000 0.524 531 R N 2.272 122.778 120.500 0.009 0.000 2.707 531 R HA 0.435 4.775 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 -1.589 54.505 56.100 -0.009 0.000 1.182 531 R CB -0.001 30.288 30.300 -0.018 0.000 1.084 531 R HN 0.254 nan 8.270 nan 0.000 0.528 532 P HA 0.167 nan 4.420 nan 0.000 0.278 532 P C -1.151 176.080 177.300 -0.115 0.000 1.258 532 P CA -0.278 62.780 63.100 -0.069 0.000 0.811 532 P CB 0.736 32.395 31.700 -0.068 0.000 1.063 533 L N 1.972 123.106 121.223 -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 0.856 42.775 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 -0.907 175.110 176.117 -0.167 0.000 1.069 534 I CA -0.538 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 5.560 126.657 121.223 -0.212 0.000 2.367 535 L HA 0.117 4.457 4.340 0.000 0.000 0.275 535 L C 1.383 178.316 176.870 0.105 0.000 1.129 535 L CA -0.214 54.566 54.840 -0.101 0.000 0.839 535 L CB 0.764 42.744 42.059 -0.132 0.000 1.133 535 L HN 0.862 nan 8.230 nan 0.000 0.453 536 C N 0.021 119.363 119.300 0.070 0.000 2.464 536 C HA 0.175 4.635 4.460 0.000 0.000 0.278 536 C C 0.679 175.783 174.990 0.191 0.000 1.375 536 C CA -0.147 58.956 59.018 0.141 0.000 1.761 536 C CB -0.965 26.775 27.740 -0.000 0.000 1.944 536 C HN 0.843 nan 8.230 nan 0.000 0.509 537 E N -0.899 119.335 120.200 0.056 0.000 2.304 537 E HA 0.635 4.985 4.350 0.000 0.000 0.277 537 E C -1.271 175.245 176.600 -0.139 0.000 0.898 537 E CA -0.398 55.998 56.400 -0.006 0.000 0.764 537 E CB 2.034 31.485 29.700 -0.415 0.000 1.216 537 E HN 0.645 nan 8.360 nan 0.000 0.419 538 Y N -0.388 119.871 120.300 -0.069 0.000 2.656 538 Y HA 0.630 5.180 4.550 0.000 0.000 0.334 538 Y C -0.732 175.325 175.900 0.262 0.000 1.179 538 Y CA -0.892 57.203 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 -0.246 177.454 177.584 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 0.549 119.762 119.070 0.238 0.000 3.237 540 H HA 0.159 4.715 4.556 0.000 0.000 0.270 540 H C 1.267 176.638 175.328 0.071 0.000 0.900 540 H CA 0.803 56.984 56.048 0.223 0.000 1.415 540 H CB 0.386 30.155 29.762 0.012 0.000 1.484 540 H HN 0.840 nan 8.280 nan 0.000 0.540 541 A N 6.454 129.146 122.820 -0.214 0.000 2.416 541 A HA 0.030 4.350 4.320 0.000 0.000 0.252 541 A C 0.981 178.386 177.584 -0.299 0.000 1.353 541 A CA -0.343 51.549 52.037 -0.242 0.000 0.996 541 A CB -0.535 18.317 19.000 -0.246 0.000 0.961 541 A HN 0.790 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 1.240 56.369 55.300 -0.286 0.000 1.161 542 M CB -0.373 32.089 32.600 -0.230 0.000 1.737 542 M HN 0.771 nan 8.290 nan 0.000 0.464 543 G N 4.507 113.158 108.800 -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 -0.716 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 -0.992 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 1.110 53.698 53.050 -0.771 0.000 0.983 544 N CB 0.422 38.462 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 -0.111 174.413 174.600 -0.127 0.000 1.161 545 S CA -0.388 57.702 58.200 -0.184 0.000 0.920 545 S CB 0.165 63.275 63.200 -0.150 0.000 1.340 545 S HN 0.377 nan 8.310 nan 0.000 0.681 546 L N 0.206 121.383 121.223 -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 0.916 55.732 54.840 -0.040 0.000 1.029 546 L CB -1.729 40.225 42.059 -0.174 0.000 2.137 546 L HN 0.694 nan 8.230 nan 0.000 0.713 547 G N -0.758 108.042 108.800 -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 0.070 0.000 1.277 547 G CA 0.192 45.277 45.100 -0.025 0.000 0.909 547 G HN 1.382 nan 8.290 nan 0.000 0.502 548 G N 1.875 110.729 108.800 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 1.025 176.127 174.900 0.336 0.000 0.990 548 G CA 0.642 45.847 45.100 0.176 0.000 0.646 548 G HN 0.736 nan 8.290 nan 0.000 0.517 549 F N 2.069 122.148 119.950 0.216 0.000 2.087 549 F HA 0.015 4.542 4.527 0.000 0.000 0.299 549 F C 2.739 178.771 175.800 0.387 0.000 1.100 549 F CA 2.852 61.049 58.000 0.328 0.000 1.226 549 F CB -0.531 38.588 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 -0.225 4.095 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 1.718 53.840 52.037 0.141 0.000 0.636 550 A CB -0.692 18.398 19.000 0.149 0.000 0.810 550 A HN 0.421 nan 8.150 nan 0.000 0.448 551 K N -1.389 119.007 120.400 -0.006 0.000 2.044 551 K HA -0.215 4.105 4.320 0.000 0.000 0.210 551 K C 1.843 178.203 176.600 -0.401 0.000 1.049 551 K CA 2.047 58.237 56.287 -0.162 0.000 0.927 551 K CB -0.433 31.949 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 2.295 177.185 175.900 -1.684 0.000 1.152 552 Y CA 1.541 58.978 58.100 -1.106 0.000 1.136 552 Y CB -0.577 37.244 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 -0.742 28.515 29.460 -0.339 0.000 1.142 553 W HN 0.153 nan 8.180 nan 0.000 0.512 554 Q N 0.203 119.894 119.800 -0.181 0.000 2.079 554 Q HA -0.187 4.153 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 1.931 57.674 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 0.359 123.003 122.820 -0.294 0.000 1.898 555 A HA -0.136 4.184 4.320 0.000 0.000 0.216 555 A C 1.864 179.404 177.584 -0.073 0.000 1.181 555 A CA 1.125 53.034 52.037 -0.214 0.000 0.620 555 A CB -1.071 17.675 19.000 -0.422 0.000 0.819 555 A HN 0.535 nan 8.150 nan 0.000 0.442 556 F N -0.294 119.471 119.950 -0.308 0.000 2.120 556 F HA -0.243 4.284 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 1.231 59.020 58.000 -0.353 0.000 1.249 556 F CB -0.191 38.394 39.000 -0.690 0.000 0.995 556 F HN 0.158 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 -0.183 4.157 4.340 0.000 0.000 0.227 557 R C 2.067 178.399 176.300 0.054 0.000 1.103 557 R CA 1.284 57.422 56.100 0.064 0.000 0.983 557 R CB -0.383 29.950 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 -0.583 175.440 176.000 0.039 0.000 0.921 558 Q CA 0.532 56.379 55.803 0.074 0.000 0.911 558 Q CB 0.535 29.333 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 0.313 4.863 4.550 0.000 0.000 0.336 559 Y C -1.807 174.064 175.900 -0.049 0.000 0.960 559 Y CA -2.915 55.162 58.100 -0.039 0.000 1.164 559 Y CB 1.507 39.946 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 1.884 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 0.542 176.819 176.300 -0.039 0.000 1.029 561 R CA 0.241 56.339 56.100 -0.003 0.000 1.018 561 R CB -0.553 29.756 30.300 0.015 0.000 0.888 561 R HN 0.289 nan 8.270 nan 0.000 0.471 562 L N 2.039 123.254 121.223 -0.014 0.000 2.282 562 L HA 0.131 4.471 4.340 0.000 0.000 0.287 562 L C 0.681 177.412 176.870 -0.232 0.000 1.075 562 L CA 0.106 54.892 54.840 -0.090 0.000 0.839 562 L CB 1.185 43.260 42.059 0.026 0.000 1.219 562 L HN 0.023 nan 8.230 nan 0.000 0.434 563 Q N 2.879 122.474 119.800 -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 29.564 28.738 -0.254 0.000 1.095 563 Q HN 0.941 nan 8.270 nan 0.000 0.477 564 G N -0.290 107.752 108.800 -1.263 0.000 2.416 564 G HA2 0.142 4.102 3.960 0.000 0.000 0.203 564 G HA3 0.142 4.102 3.960 0.000 0.000 0.203 564 G C -0.337 173.805 174.900 -1.264 0.000 1.227 564 G CA -0.741 43.301 45.100 -1.765 0.000 1.041 564 G HN 0.583 nan 8.290 nan 0.000 0.546 565 G N -2.233 106.048 108.800 -0.864 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 0.492 120.667 119.950 0.376 0.000 2.449 566 F HA 0.542 5.069 4.527 0.000 0.000 0.342 566 F C 0.676 176.751 175.800 0.459 0.000 1.127 566 F CA -0.773 57.472 58.000 0.408 0.000 0.975 566 F CB 2.235 41.373 39.000 0.230 0.000 1.146 566 F HN 0.253 nan 8.300 nan 0.000 0.444 567 V N 3.174 123.381 119.914 0.490 0.000 2.811 567 V HA -0.051 4.069 4.120 0.000 0.000 0.302 567 V C -0.403 175.840 176.094 0.247 0.000 1.063 567 V CA -0.439 61.960 62.300 0.165 0.000 1.088 567 V CB 1.010 32.905 31.823 0.119 0.000 0.982 567 V HN 0.764 nan 8.190 nan 0.000 0.485 568 W N 6.476 127.834 121.300 0.097 0.000 2.336 568 W HA 0.471 5.131 4.660 0.000 0.000 0.315 568 W C -0.925 175.588 176.519 -0.010 0.000 1.016 568 W CA -0.626 56.801 57.345 0.137 0.000 1.318 568 W CB 1.377 31.052 29.460 0.357 0.000 1.247 568 W HN 0.902 nan 8.180 nan 0.000 0.414 569 D N 3.052 123.117 120.400 -0.559 0.000 2.752 569 D HA 0.071 4.711 4.640 0.000 0.000 0.313 569 D C 0.663 176.725 176.300 -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 40.032 40.800 -1.789 0.000 1.443 569 D HN 0.446 nan 8.370 nan 0.000 0.515 570 W N 0.727 121.696 121.300 -0.551 0.000 2.322 570 W HA -0.006 4.654 4.660 0.000 0.000 0.326 570 W C -0.025 176.243 176.519 -0.419 0.000 1.224 570 W CA 1.513 58.589 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 0.916 120.624 119.914 -0.343 0.000 2.769 571 V HA 0.273 4.393 4.120 0.000 0.000 0.312 571 V C -0.500 175.384 176.094 -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 -0.072 nan 8.190 nan 0.000 0.433 572 D N 2.052 122.261 120.400 -0.319 0.000 2.443 572 D HA 0.103 4.743 4.640 0.000 0.000 0.239 572 D C 0.091 176.222 176.300 -0.281 0.000 1.136 572 D CA 0.366 54.227 54.000 -0.233 0.000 0.879 572 D CB 1.119 41.879 40.800 -0.066 0.000 1.195 572 D HN 0.630 nan 8.370 nan 0.000 0.443 573 Q N 0.980 120.562 119.800 -0.365 0.000 3.207 573 Q HA 0.151 4.491 4.340 0.000 0.000 0.335 573 Q C -0.370 175.624 176.000 -0.010 0.000 1.374 573 Q CA -0.326 55.088 55.803 -0.649 0.000 1.023 573 Q CB 0.191 28.613 28.738 -0.526 0.000 1.576 573 Q HN 0.359 nan 8.270 nan 0.000 0.515 574 S N -0.004 115.799 115.700 0.171 0.000 2.549 574 S HA 0.689 5.159 4.470 0.000 0.000 0.297 574 S C -0.246 174.548 174.600 0.324 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 -0.424 176.365 176.870 -0.136 0.000 1.013 575 L CA -1.097 53.713 54.840 -0.049 0.000 0.816 575 L CB 1.433 43.333 42.059 -0.265 0.000 1.287 575 L HN 0.626 nan 8.230 nan 0.000 0.435 576 I N 1.731 122.159 120.570 -0.236 0.000 2.472 576 I HA 0.253 4.423 4.170 0.000 0.000 0.290 576 I C 0.057 175.792 176.117 -0.635 0.000 1.016 576 I CA 0.159 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 0.519 nan 8.210 nan 0.000 0.521 577 K N 4.306 124.024 120.400 -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 -1.288 0.000 1.011 577 K CA -0.872 54.699 56.287 -1.195 0.000 0.871 577 K CB 2.314 33.815 32.500 -1.665 0.000 1.404 577 K HN 0.245 nan 8.250 nan 0.000 0.450 578 Y N 0.340 120.433 120.300 -0.345 0.000 2.499 578 Y HA 0.198 4.748 4.550 0.000 0.000 0.347 578 Y C -0.027 176.015 175.900 0.237 0.000 0.987 578 Y CA -1.229 56.862 58.100 -0.015 0.000 1.044 578 Y CB 1.225 39.677 38.460 -0.014 0.000 1.245 578 Y HN 0.640 nan 8.280 nan 0.000 0.461 579 D N -0.375 120.304 120.400 0.466 0.000 2.432 579 D HA 0.157 4.797 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 53.616 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 -0.023 120.247 120.200 0.118 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 1.365 57.807 56.400 0.069 0.000 0.806 580 E CB -0.666 29.057 29.700 0.039 0.000 0.738 580 E HN 0.427 nan 8.360 nan 0.000 0.459 581 N N 0.530 119.276 118.700 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 38.828 38.487 0.058 0.000 0.992 581 N HN 0.315 nan 8.380 nan 0.000 0.460 582 G N 0.724 109.595 108.800 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 -0.262 44.916 45.100 0.131 0.000 0.869 582 G HN 0.307 nan 8.290 nan 0.000 0.502 583 N N 1.026 119.923 118.700 0.329 0.000 2.421 583 N HA 0.489 5.229 4.740 0.000 0.000 0.285 583 N C -2.463 173.224 175.510 0.294 0.000 1.027 583 N CA -1.484 51.745 53.050 0.298 0.000 0.918 583 N CB 2.115 40.719 38.487 0.196 0.000 1.152 583 N HN 0.129 nan 8.380 nan 0.000 0.485 584 P HA 0.297 nan 4.420 nan 0.000 0.279 584 P C -0.557 176.659 177.300 -0.139 0.000 1.239 584 P CA -0.313 62.507 63.100 -0.467 0.000 0.789 584 P CB 0.628 32.114 31.700 -0.356 0.000 0.933 585 W N -0.162 120.866 121.300 -0.454 0.000 3.213 585 W HA 0.382 5.042 4.660 0.000 0.000 0.318 585 W C -1.492 174.840 176.519 -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 0.148 nan 8.180 nan 0.000 0.556 586 S N 1.891 117.659 115.700 0.114 0.000 2.481 586 S HA 0.557 5.027 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 -0.245 58.025 58.200 0.117 0.000 1.053 586 S CB 0.976 64.281 63.200 0.175 0.000 0.925 586 S HN 0.664 nan 8.310 nan 0.000 0.491 587 A N 2.833 125.692 122.820 0.065 0.000 2.337 587 A HA 0.878 5.199 4.320 0.000 0.000 0.331 587 A C -0.630 177.254 177.584 0.501 0.000 1.137 587 A CA -0.822 51.317 52.037 0.170 0.000 0.807 587 A CB 0.704 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 -0.761 119.895 120.300 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 -0.020 38.590 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 0.503 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 2.278 111.383 108.800 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 0.881 175.996 174.900 0.357 0.000 0.987 590 G CA 0.717 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 1.250 177.408 176.300 -0.236 0.000 1.003 591 D CA 0.556 54.628 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 -1.065 118.999 119.950 0.190 0.000 2.735 592 F HA 0.313 4.840 4.527 0.000 0.000 0.308 592 F C 1.740 177.622 175.800 0.137 0.000 1.112 592 F CA -0.295 57.781 58.000 0.127 0.000 1.235 592 F CB 0.597 39.666 39.000 0.116 0.000 1.027 592 F HN -0.070 nan 8.300 nan 0.000 0.528 593 G N 0.748 109.708 108.800 0.267 0.000 2.155 593 G HA2 -0.297 3.663 3.960 0.000 0.000 0.257 593 G HA3 -0.297 3.663 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 0.306 45.530 45.100 0.207 0.000 0.676 593 G HN 0.431 nan 8.290 nan 0.000 0.528 594 D N 0.445 121.041 120.400 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 0.533 54.712 54.000 0.299 0.000 0.879 594 D CB 1.188 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 2.330 116.983 114.554 0.166 0.000 2.952 595 T HA 0.482 4.832 4.350 0.000 0.000 0.305 595 T C -2.361 172.383 174.700 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 -1.149 176.140 177.300 -0.018 0.000 1.281 596 P CA -0.724 62.377 63.100 0.001 0.000 0.811 596 P CB 0.788 32.461 31.700 -0.044 0.000 1.154 597 N N -1.162 117.527 118.700 -0.019 0.000 2.610 597 N HA 0.171 4.912 4.740 0.000 0.000 0.264 597 N C -1.063 174.408 175.510 -0.064 0.000 1.348 597 N CA -0.533 52.492 53.050 -0.042 0.000 0.819 597 N CB 1.533 40.094 38.487 0.124 0.000 1.521 597 N HN 0.202 nan 8.380 nan 0.000 0.497 598 D N 0.013 120.352 120.400 -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 0.940 41.611 40.800 -0.215 0.000 1.001 598 D HN 0.552 nan 8.370 nan 0.000 0.499 599 R N 0.116 120.825 120.500 0.349 0.000 3.853 599 R HA -0.334 4.006 4.340 0.000 0.000 0.440 599 R C 1.390 177.722 176.300 0.053 0.000 0.241 599 R CA 1.824 58.128 56.100 0.340 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 0.267 119.801 119.800 -0.444 0.000 2.291 600 Q HA -0.028 4.312 4.340 0.000 0.000 0.206 600 Q C 1.718 177.537 176.000 -0.301 0.000 0.976 600 Q CA 1.660 57.076 55.803 -0.646 0.000 0.875 600 Q CB -0.259 28.043 28.738 -0.727 0.000 0.927 600 Q HN 0.423 nan 8.270 nan 0.000 0.450 601 F N 1.092 120.916 119.950 -0.210 0.000 2.214 601 F HA -0.300 4.227 4.527 0.000 0.000 0.302 601 F C 1.691 177.398 175.800 -0.156 0.000 1.063 601 F CA 1.228 59.187 58.000 -0.069 0.000 1.319 601 F CB -0.233 38.814 39.000 0.078 0.000 1.046 601 F HN 0.357 nan 8.300 nan 0.000 0.505 602 C N -1.350 117.576 119.300 -0.623 0.000 2.576 602 C HA 0.223 4.683 4.460 0.000 0.000 0.267 602 C C 0.974 175.702 174.990 -0.436 0.000 1.364 602 C CA -0.522 58.025 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 2.965 122.352 119.600 -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 0.511 33.021 32.600 -0.150 0.000 1.423 603 M HN 0.218 nan 8.290 nan 0.000 0.405 604 N N 1.575 120.091 118.700 -0.306 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 52.724 53.050 -0.381 0.000 0.859 604 N CB 1.348 39.650 38.487 -0.308 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 0.890 175.330 174.900 -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 -0.244 120.522 121.223 -0.762 0.000 2.418 606 L HA 0.155 4.495 4.340 0.000 0.000 0.218 606 L C 0.713 176.907 176.870 -1.127 0.000 1.125 606 L CA 0.274 54.657 54.840 -0.763 0.000 0.835 606 L CB -0.089 41.680 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 -0.434 175.171 176.094 -0.816 0.000 1.115 607 V CA -1.243 60.432 62.300 -1.040 0.000 0.998 607 V CB 1.681 32.966 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 0.543 5.070 4.527 0.000 0.000 0.339 608 F C 1.957 177.664 175.800 -0.155 0.000 1.146 608 F CA 0.415 58.387 58.000 -0.047 0.000 1.267 608 F CB 1.389 40.393 39.000 0.007 0.000 1.178 608 F HN 0.826 nan 8.300 nan 0.000 0.585 609 A N 1.269 124.169 122.820 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 2.183 54.237 52.037 0.028 0.000 0.645 609 A CB -1.112 17.943 19.000 0.091 0.000 0.813 609 A HN 0.862 nan 8.150 nan 0.000 0.454 610 D N -3.092 117.294 120.400 -0.024 0.000 2.336 610 D HA 0.199 4.839 4.640 0.000 0.000 0.229 610 D C 0.528 176.803 176.300 -0.042 0.000 1.061 610 D CA 0.014 53.975 54.000 -0.065 0.000 0.875 610 D CB -0.070 40.697 40.800 -0.054 0.000 0.904 610 D HN 0.185 nan 8.370 nan 0.000 0.525 611 R N -0.799 119.669 120.500 -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 1.025 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 -2.514 172.334 174.700 0.245 0.000 0.991 612 T CA -2.452 59.738 62.100 0.150 0.000 0.979 612 T CB 2.608 71.550 68.868 0.125 0.000 0.943 612 T HN -0.180 nan 8.240 nan 0.000 0.444 613 P HA 0.145 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 0.238 31.928 31.700 -0.016 0.000 0.858 614 H N 2.943 121.800 119.070 -0.355 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 -0.183 0.000 1.202 614 H CA -2.084 53.746 56.048 -0.362 0.000 1.322 614 H CB 0.584 30.102 29.762 -0.406 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 1.244 178.540 177.300 -0.007 0.000 1.150 615 P CA 1.275 64.363 63.100 -0.020 0.000 0.814 615 P CB -0.036 31.649 31.700 -0.026 0.000 0.787 616 A N 0.044 122.861 122.820 -0.006 0.000 1.986 616 A HA -0.217 4.103 4.320 0.000 0.000 0.220 616 A C 2.119 179.646 177.584 -0.095 0.000 1.171 616 A CA 1.543 53.541 52.037 -0.065 0.000 0.640 616 A CB -1.744 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 2.436 179.332 176.870 0.043 0.000 1.085 617 L CA 2.742 57.568 54.840 -0.024 0.000 0.760 617 L CB -0.807 41.233 42.059 -0.031 0.000 0.893 617 L HN 0.433 nan 8.230 nan 0.000 0.434 618 T N -1.521 113.065 114.554 0.054 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 1.201 63.387 62.100 0.142 0.000 1.140 618 T CB -0.158 68.777 68.868 0.113 0.000 0.870 618 T HN 0.335 nan 8.240 nan 0.000 0.445 619 E N 1.710 121.949 120.200 0.065 0.000 2.085 619 E HA -0.100 4.250 4.350 0.000 0.000 0.194 619 E C 2.229 178.836 176.600 0.011 0.000 0.994 619 E CA 1.404 57.848 56.400 0.074 0.000 0.801 619 E CB -0.535 29.176 29.700 0.018 0.000 0.743 619 E HN 0.447 nan 8.360 nan 0.000 0.453 620 A N 0.907 123.623 122.820 -0.174 0.000 1.877 620 A HA -0.250 4.070 4.320 0.000 0.000 0.216 620 A C 2.178 179.661 177.584 -0.169 0.000 1.186 620 A CA 2.044 53.930 52.037 -0.251 0.000 0.620 620 A CB -0.699 18.133 19.000 -0.280 0.000 0.822 620 A HN 0.290 nan 8.150 nan 0.000 0.443 621 K N -1.247 119.128 120.400 -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 0.307 119.215 119.070 -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 1.814 57.514 56.048 -0.580 0.000 1.334 622 H CB 0.013 29.441 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 -0.105 4.235 4.340 0.000 0.000 0.206 623 Q C 1.655 177.115 176.000 -0.899 0.000 0.976 623 Q CA 1.241 56.683 55.803 -0.601 0.000 0.875 623 Q CB 0.015 28.512 28.738 -0.402 0.000 0.927 623 Q HN 0.731 nan 8.270 nan 0.000 0.450 624 Q N 0.754 120.020 119.800 -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 0.231 28.354 28.738 -1.025 0.000 1.064 624 Q HN 0.456 nan 8.270 nan 0.000 0.511 625 Q N -0.412 118.992 119.800 -0.660 0.000 2.428 625 Q HA -0.038 4.302 4.340 0.000 0.000 0.276 625 Q C -0.268 175.332 176.000 -0.667 0.000 1.059 625 Q CA 0.322 55.843 55.803 -0.470 0.000 0.923 625 Q CB 0.322 28.933 28.738 -0.212 0.000 1.283 625 Q HN 0.167 nan 8.270 nan 0.000 0.447 626 F N -0.071 119.624 119.950 -0.425 0.000 2.797 626 F HA 0.261 4.788 4.527 0.000 0.000 0.302 626 F C -0.107 175.121 175.800 -0.953 0.000 1.130 626 F CA 0.000 57.515 58.000 -0.810 0.000 1.387 626 F CB 0.387 38.570 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 -0.087 175.374 175.800 -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 40.111 39.000 -0.276 0.000 1.142 627 F HN -0.320 nan 8.300 nan 0.000 0.457 628 Q N 3.134 122.662 119.800 -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 31.675 28.738 -0.182 0.000 1.325 628 Q HN 0.539 nan 8.270 nan 0.000 0.446 629 F N 0.346 120.414 119.950 0.197 0.000 2.522 629 F HA 0.601 5.128 4.527 0.000 0.000 0.324 629 F C 0.496 176.520 175.800 0.374 0.000 1.077 629 F CA -0.852 57.337 58.000 0.316 0.000 0.944 629 F CB 1.987 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 1.842 122.656 120.500 0.523 0.000 2.628 630 R HA 0.621 4.961 4.340 0.000 0.000 0.288 630 R C -1.985 174.399 176.300 0.139 0.000 0.980 630 R CA -1.161 55.146 56.100 0.344 0.000 0.891 630 R CB 2.650 33.057 30.300 0.179 0.000 1.188 630 R HN 0.610 nan 8.270 nan 0.000 0.450 631 L N 1.508 122.705 121.223 -0.045 0.000 2.313 631 L HA 0.475 4.815 4.340 0.000 0.000 0.283 631 L C -0.978 175.742 176.870 -0.249 0.000 1.013 631 L CA 0.152 54.731 54.840 -0.435 0.000 0.816 631 L CB 1.949 43.278 42.059 -1.216 0.000 1.236 631 L HN 0.468 nan 8.230 nan 0.000 0.419 632 S N 3.903 119.480 115.700 -0.205 0.000 2.774 632 S HA 0.696 5.166 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 0.223 63.379 63.200 -0.073 0.000 1.019 632 S HN 1.475 nan 8.310 nan 0.000 0.482 633 G N 4.248 112.962 108.800 -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 0.381 175.181 174.900 -0.168 0.000 1.166 633 G CA 0.588 45.610 45.100 -0.130 0.000 0.971 633 G HN 0.645 nan 8.290 nan 0.000 0.542 634 Q N 1.241 120.950 119.800 -0.152 0.000 2.198 634 Q HA 0.239 4.579 4.340 0.000 0.000 0.209 634 Q C -0.067 175.814 176.000 -0.197 0.000 0.848 634 Q CA 0.608 56.302 55.803 -0.182 0.000 0.974 634 Q CB 0.709 29.358 28.738 -0.149 0.000 1.115 634 Q HN 0.548 nan 8.270 nan 0.000 0.494 635 T N 0.747 115.195 114.554 -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 -0.148 0.000 0.979 635 T CB 1.574 70.386 68.868 -0.092 0.000 0.943 635 T HN 0.034 nan 8.240 nan 0.000 0.444 636 I N 2.401 122.896 120.570 -0.125 0.000 2.359 636 I HA 0.350 4.520 4.170 0.000 0.000 0.294 636 I C 0.446 176.595 176.117 0.053 0.000 0.987 636 I CA -0.716 60.547 61.300 -0.062 0.000 1.225 636 I CB 1.540 39.531 38.000 -0.015 0.000 1.366 636 I HN 0.632 nan 8.210 nan 0.000 0.466 637 E N 6.383 126.645 120.200 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 1.616 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 3.802 123.802 119.914 0.143 0.000 2.513 638 V HA 0.411 4.531 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 -0.622 61.733 62.300 0.090 0.000 0.889 638 V CB 1.931 33.834 31.823 0.135 0.000 0.988 638 V HN 0.741 nan 8.190 nan 0.000 0.440 639 T N 2.675 117.209 114.554 -0.033 0.000 2.848 639 T HA 0.374 4.724 4.350 0.000 0.000 0.285 639 T C -0.314 174.378 174.700 -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 1.591 117.292 115.700 0.001 0.000 2.480 640 S HA 0.261 4.731 4.470 0.000 0.000 0.286 640 S C 0.618 175.108 174.600 -0.183 0.000 1.180 640 S CA -0.586 57.558 58.200 -0.092 0.000 1.075 640 S CB 0.581 63.802 63.200 0.035 0.000 0.996 640 S HN 0.708 nan 8.310 nan 0.000 0.487 641 E N 3.212 123.203 120.200 -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 56.153 56.400 -0.287 0.000 0.914 641 E CB 0.354 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 0.449 120.652 120.300 -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 -0.252 57.730 58.100 -0.195 0.000 1.265 642 Y CB 0.977 39.301 38.460 -0.227 0.000 1.218 642 Y HN -0.023 nan 8.280 nan 0.000 0.508 643 L N 1.710 122.790 121.223 -0.238 0.000 2.298 643 L HA 0.019 4.359 4.340 0.000 0.000 0.209 643 L C 0.668 177.086 176.870 -0.753 0.000 1.084 643 L CA 0.930 55.360 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 1.265 177.044 175.800 -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 -0.219 120.314 120.500 0.055 0.000 2.674 645 R HA 0.521 4.861 4.340 0.000 0.000 0.266 645 R C -1.113 175.172 176.300 -0.024 0.000 1.016 645 R CA -0.727 55.344 56.100 -0.048 0.000 1.062 645 R CB 0.774 30.942 30.300 -0.220 0.000 1.142 645 R HN 0.045 nan 8.270 nan 0.000 0.517 646 H N -0.157 118.879 119.070 -0.055 0.000 2.483 646 H HA 0.171 4.727 4.556 0.000 0.000 0.338 646 H C -0.166 175.170 175.328 0.014 0.000 1.152 646 H CA -0.320 55.734 56.048 0.010 0.000 1.264 646 H CB 1.412 31.188 29.762 0.024 0.000 1.510 646 H HN 0.748 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 0.204 174.919 174.600 0.192 0.000 1.324 647 S CA -0.104 58.146 58.200 0.084 0.000 0.956 647 S CB -0.866 62.387 63.200 0.087 0.000 1.503 647 S HN 0.732 nan 8.310 nan 0.000 0.440 648 D N 0.556 121.074 120.400 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 -0.253 40.626 40.800 0.132 0.000 0.912 648 D HN 0.490 nan 8.370 nan 0.000 0.521 649 N N 0.008 118.766 118.700 0.098 0.000 2.622 649 N HA 0.125 4.865 4.740 0.000 0.000 0.293 649 N C -1.580 173.987 175.510 0.094 0.000 1.788 649 N CA -0.247 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 -0.069 nan 8.380 nan 0.000 0.496 650 E N 0.090 120.342 120.200 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 1.955 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 -1.511 175.423 176.870 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 -0.666 176.420 176.870 0.360 0.000 1.035 652 L CA 0.077 55.051 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 0.569 nan 8.230 nan 0.000 0.424 653 H N 5.750 124.880 119.070 0.099 0.000 2.467 653 H HA 0.381 4.937 4.556 0.000 0.000 0.326 653 H C -1.097 174.305 175.328 0.124 0.000 1.094 653 H CA -0.705 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 -1.406 175.152 176.519 0.064 0.000 1.151 654 W CA -1.438 55.963 57.345 0.094 0.000 1.111 654 W CB 1.576 31.083 29.460 0.078 0.000 1.449 654 W HN 0.605 nan 8.180 nan 0.000 0.572 655 M N 1.193 121.147 119.600 0.591 0.000 2.569 655 M HA 0.529 5.009 4.480 0.000 0.000 0.287 655 M C -2.643 173.903 176.300 0.410 0.000 1.130 655 M CA -0.520 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 2.485 122.617 119.914 0.362 0.000 2.495 656 V HA 1.039 5.159 4.120 0.000 0.000 0.298 656 V C -0.190 176.020 176.094 0.193 0.000 1.031 656 V CA 0.021 62.495 62.300 0.291 0.000 0.871 656 V CB 1.176 33.175 31.823 0.293 0.000 0.988 656 V HN 1.136 nan 8.190 nan 0.000 0.432 657 A N 4.166 127.111 122.820 0.209 0.000 2.539 657 A HA 0.898 5.218 4.320 0.000 0.000 0.296 657 A C -1.649 176.068 177.584 0.221 0.000 1.073 657 A CA -0.613 51.518 52.037 0.158 0.000 0.700 657 A CB 1.830 20.877 19.000 0.077 0.000 1.296 657 A HN 0.842 nan 8.150 nan 0.000 0.405 658 L N 1.255 122.574 121.223 0.159 0.000 2.294 658 L HA 0.580 4.920 4.340 0.000 0.000 0.283 658 L C -0.458 176.518 176.870 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 42.629 42.059 0.115 0.000 1.217 658 L HN 0.769 nan 8.230 nan 0.000 0.420 659 D N 4.659 125.235 120.400 0.293 0.000 2.733 659 D HA -0.211 4.429 4.640 0.000 0.000 0.232 659 D C 1.172 177.503 176.300 0.053 0.000 1.161 659 D CA 1.656 55.807 54.000 0.252 0.000 0.653 659 D CB -0.993 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 0.201 175.031 174.900 -0.117 0.000 1.003 660 G CA 0.241 45.231 45.100 -0.182 0.000 0.622 660 G HN 0.429 nan 8.290 nan 0.000 0.507 661 K N 2.432 122.812 120.400 -0.034 0.000 2.285 661 K HA 0.542 4.862 4.320 0.000 0.000 0.286 661 K C -2.554 174.046 176.600 0.001 0.000 1.072 661 K CA -1.891 54.381 56.287 -0.026 0.000 0.913 661 K CB 1.564 34.061 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 -0.218 177.087 177.300 0.010 0.000 1.243 662 P CA -0.072 63.022 63.100 -0.010 0.000 0.768 662 P CB 0.758 32.428 31.700 -0.051 0.000 0.856 663 L N 1.446 122.696 121.223 0.045 0.000 2.642 663 L HA 0.524 4.864 4.340 0.000 0.000 0.233 663 L C 0.863 177.770 176.870 0.062 0.000 1.077 663 L CA 0.210 55.082 54.840 0.053 0.000 0.879 663 L CB 0.211 42.318 42.059 0.080 0.000 1.151 663 L HN 0.368 nan 8.230 nan 0.000 0.495 664 A N 0.163 123.031 122.820 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 -0.120 51.966 52.037 0.081 0.000 0.693 664 A CB 1.556 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 0.262 115.682 115.700 -0.466 0.000 2.588 665 S HA 0.968 5.438 4.470 0.000 0.000 0.275 665 S C -0.160 173.466 174.600 -1.624 0.000 1.130 665 S CA -0.014 57.547 58.200 -1.065 0.000 0.855 665 S CB 1.612 64.481 63.200 -0.552 0.000 1.116 665 S HN 2.460 nan 8.310 nan 0.000 0.472 666 G N -0.158 107.248 108.800 -2.323 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 -0.889 0.000 1.420 666 G CA -0.705 43.524 45.100 -1.452 0.000 0.796 666 G HN 0.813 nan 8.290 nan 0.000 0.485 667 E N -1.163 118.888 120.200 -0.248 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 2.902 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 4.770 124.800 119.914 0.194 0.000 2.777 668 V HA 0.464 4.584 4.120 0.000 0.000 0.306 668 V C -2.486 173.700 176.094 0.153 0.000 1.112 668 V CA -1.681 60.723 62.300 0.174 0.000 0.917 668 V CB 2.169 34.111 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 -0.188 62.974 63.100 0.103 0.000 0.784 669 P CB 1.049 32.803 31.700 0.091 0.000 0.913 670 L N 2.828 124.097 121.223 0.077 0.000 2.350 670 L HA 0.353 4.693 4.340 0.000 0.000 0.275 670 L C 0.474 177.404 176.870 0.099 0.000 1.099 670 L CA 0.197 55.072 54.840 0.059 0.000 0.808 670 L CB 0.628 42.670 42.059 -0.029 0.000 1.149 670 L HN 0.360 nan 8.230 nan 0.000 0.442 671 D N 2.306 122.770 120.400 0.108 0.000 2.586 671 D HA 0.383 5.023 4.640 0.000 0.000 0.254 671 D C -1.336 175.007 176.300 0.072 0.000 1.248 671 D CA -0.118 54.005 54.000 0.205 0.000 0.843 671 D CB 0.943 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 0.522 120.304 119.914 -0.221 0.000 2.656 672 V HA 0.930 5.050 4.120 0.000 0.000 0.307 672 V C 0.589 176.380 176.094 -0.506 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 4.974 127.699 122.820 -0.159 0.000 2.322 673 A HA 0.812 5.132 4.320 0.000 0.000 0.269 673 A C -2.402 175.177 177.584 -0.007 0.000 1.094 673 A CA -1.723 50.296 52.037 -0.030 0.000 0.807 673 A CB -0.040 19.033 19.000 0.121 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 -0.011 0.000 1.173 674 P CA 0.733 63.845 63.100 0.020 0.000 0.760 674 P CB 0.210 31.908 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 -0.185 4.155 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 -2.472 26.230 28.738 -0.060 0.000 1.615 675 Q HN 0.757 nan 8.270 nan 0.000 0.621 676 G N 0.231 109.032 108.800 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 -0.513 174.404 174.900 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 -0.409 120.012 120.400 0.035 0.000 2.267 677 K HA 0.468 4.788 4.320 0.000 0.000 0.246 677 K C -0.868 175.766 176.600 0.056 0.000 0.954 677 K CA -0.570 55.743 56.287 0.044 0.000 0.824 677 K CB 2.371 34.892 32.500 0.034 0.000 1.167 677 K HN 0.556 nan 8.250 nan 0.000 0.431 678 Q N 3.169 123.009 119.800 0.068 0.000 2.305 678 Q HA 0.353 4.693 4.340 0.000 0.000 0.271 678 Q C -1.597 174.447 176.000 0.073 0.000 1.046 678 Q CA -0.638 55.208 55.803 0.072 0.000 0.798 678 Q CB 1.353 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 5.057 126.313 121.223 0.056 0.000 2.289 679 L HA 0.557 4.897 4.340 0.000 0.000 0.285 679 L C -0.336 176.555 176.870 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 2.811 123.395 120.570 0.022 0.000 2.439 680 I HA 0.249 4.419 4.170 0.000 0.000 0.285 680 I C -0.252 175.831 176.117 -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 1.426 31.100 29.700 -0.044 0.000 1.055 681 E HN 0.474 nan 8.360 nan 0.000 0.409 682 L N 6.006 127.119 121.223 -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 1.333 43.149 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 62.625 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 1.428 121.602 120.200 -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 0.618 56.995 56.400 -0.038 0.000 0.947 684 E CB 0.110 29.800 29.700 -0.017 0.000 0.912 684 E HN 0.342 nan 8.360 nan 0.000 0.489 685 L N 6.295 127.492 121.223 -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 0.323 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 0.611 32.345 31.700 0.057 0.000 0.842 687 Q N 2.491 122.301 119.800 0.016 0.000 2.647 687 Q HA 0.247 4.587 4.340 0.000 0.000 0.400 687 Q C -2.032 173.977 176.000 0.015 0.000 0.959 687 Q CA -1.707 54.102 55.803 0.010 0.000 1.079 687 Q CB -0.441 28.298 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 0.101 177.414 177.300 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 0.538 120.751 120.200 0.022 0.000 2.127 689 E HA 0.007 4.357 4.350 0.000 0.000 0.191 689 E C 0.611 177.225 176.600 0.023 0.000 0.964 689 E CA 0.479 56.891 56.400 0.019 0.000 0.832 689 E CB -0.442 29.269 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 0.161 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 0.291 nan 8.310 nan 0.000 0.523 691 A N 1.002 123.848 122.820 0.044 0.000 2.302 691 A HA 0.818 5.138 4.320 0.000 0.000 0.285 691 A C 0.811 178.434 177.584 0.065 0.000 1.105 691 A CA 0.177 52.243 52.037 0.049 0.000 0.816 691 A CB 0.221 19.250 19.000 0.049 0.000 1.067 691 A HN 1.773 nan 8.150 nan 0.000 0.489 692 G N -0.037 108.804 108.800 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 -0.880 44.279 45.100 0.098 0.000 0.936 692 G HN 0.839 nan 8.290 nan 0.000 0.513 693 Q N -0.575 119.310 119.800 0.142 0.000 2.293 693 Q HA 0.616 4.956 4.340 0.000 0.000 0.261 693 Q C -0.920 175.179 176.000 0.165 0.000 0.960 693 Q CA -0.762 55.091 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 3.624 124.820 121.223 -0.045 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 54.876 54.840 0.036 0.000 0.810 694 L CB 0.452 42.507 42.059 -0.006 0.000 1.205 694 L HN 0.567 nan 8.230 nan 0.000 0.422 695 W N 5.425 126.795 121.300 0.117 0.000 2.819 695 W HA 0.567 5.228 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 1.702 31.282 29.460 0.199 0.000 1.419 695 W HN 0.279 nan 8.180 nan 0.000 0.502 696 L N 3.044 124.567 121.223 0.501 0.000 2.295 696 L HA 0.818 5.158 4.340 0.000 0.000 0.285 696 L C -0.366 176.819 176.870 0.525 0.000 1.035 696 L CA 0.144 55.253 54.840 0.449 0.000 0.806 696 L CB 1.317 43.579 42.059 0.339 0.000 1.214 696 L HN 0.372 nan 8.230 nan 0.000 0.426 697 T N 4.787 119.592 114.554 0.419 0.000 2.886 697 T HA 0.662 5.012 4.350 0.000 0.000 0.292 697 T C -0.880 174.006 174.700 0.311 0.000 1.012 697 T CA -0.479 61.818 62.100 0.328 0.000 0.982 697 T CB 1.643 70.637 68.868 0.210 0.000 1.018 697 T HN 0.619 nan 8.240 nan 0.000 0.451 698 V N 1.255 121.305 119.914 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 -1.118 61.277 62.300 0.160 0.000 0.908 698 V CB 1.904 33.745 31.823 0.030 0.000 1.001 698 V HN 0.841 nan 8.190 nan 0.000 0.431 699 R N 2.198 122.785 120.500 0.144 0.000 2.771 699 R HA 0.836 5.176 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 2.866 122.882 119.914 0.169 0.000 2.384 700 V HA 0.433 4.553 4.120 0.000 0.000 0.287 700 V C -0.458 175.670 176.094 0.056 0.000 1.020 700 V CA -0.658 61.710 62.300 0.115 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 4.467 124.364 119.914 -0.029 0.000 2.680 701 V HA 0.478 4.598 4.120 0.000 0.000 0.309 701 V C -0.401 175.706 176.094 0.022 0.000 1.052 701 V CA -0.848 61.421 62.300 -0.053 0.000 0.908 701 V CB 1.988 33.678 31.823 -0.222 0.000 1.001 701 V HN 0.867 nan 8.190 nan 0.000 0.431 702 Q N 4.134 123.974 119.800 0.066 0.000 2.465 702 Q HA 0.277 4.617 4.340 0.000 0.000 0.237 702 Q C -1.837 174.185 176.000 0.035 0.000 1.051 702 Q CA -1.810 54.041 55.803 0.079 0.000 0.874 702 Q CB 1.898 30.711 28.738 0.125 0.000 1.207 702 Q HN 0.493 nan 8.270 nan 0.000 0.508 703 P HA -0.211 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 1.394 64.507 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 -0.855 117.842 118.700 -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 52.388 53.050 -0.028 0.000 0.961 704 N CB 0.679 39.153 38.487 -0.022 0.000 1.186 704 N HN 0.015 nan 8.380 nan 0.000 0.493 705 A N 0.413 123.180 122.820 -0.088 0.000 2.346 705 A HA 0.548 4.868 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 -0.142 51.801 52.037 -0.157 0.000 0.797 705 A CB 0.008 18.934 19.000 -0.123 0.000 1.047 705 A HN 0.735 nan 8.150 nan 0.000 0.494 706 T N -3.528 110.801 114.554 -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 1.116 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 0.889 52.963 52.037 0.062 0.000 0.679 707 A CB -0.827 18.317 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 0.431 5.091 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 0.404 57.756 57.345 0.012 0.000 1.624 708 W CB -1.171 28.282 29.460 -0.011 0.000 1.135 708 W HN 0.404 nan 8.180 nan 0.000 0.540 709 S N 0.229 115.432 115.700 -0.827 0.000 2.556 709 S HA 0.449 4.919 4.470 0.000 0.000 0.271 709 S C -0.560 173.773 174.600 -0.445 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 -1.400 0.000 1.114 709 S HN 0.063 nan 8.310 nan 0.000 0.468 710 E N 0.871 120.928 120.200 -0.238 0.000 2.342 710 E HA 0.533 4.883 4.350 0.000 0.000 0.257 710 E C 0.397 176.949 176.600 -0.079 0.000 1.150 710 E CA -0.561 55.772 56.400 -0.111 0.000 0.926 710 E CB 1.136 30.822 29.700 -0.023 0.000 1.074 710 E HN 0.881 nan 8.360 nan 0.000 0.449 711 A N -0.125 122.667 122.820 -0.047 0.000 2.407 711 A HA 0.443 4.763 4.320 0.000 0.000 0.248 711 A C 1.006 178.597 177.584 0.012 0.000 1.082 711 A CA 0.554 52.577 52.037 -0.024 0.000 0.785 711 A CB -0.152 18.837 19.000 -0.019 0.000 1.020 711 A HN 0.745 nan 8.150 nan 0.000 0.489 712 G N 0.330 109.143 108.800 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 0.065 174.996 174.900 0.050 0.000 1.022 712 G CA 0.713 45.823 45.100 0.017 0.000 0.741 712 G HN 1.676 nan 8.290 nan 0.000 0.508 713 H N 0.089 119.149 119.070 -0.018 0.000 2.652 713 H HA 0.541 5.097 4.556 0.000 0.000 0.349 713 H C 0.445 175.817 175.328 0.073 0.000 1.099 713 H CA -0.684 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 4.591 124.857 120.570 -0.507 0.000 2.325 714 I HA 0.037 4.207 4.170 0.000 0.000 0.291 714 I C 1.073 177.038 176.117 -0.254 0.000 1.019 714 I CA -0.026 61.120 61.300 -0.256 0.000 1.302 714 I CB 0.774 38.698 38.000 -0.126 0.000 1.401 714 I HN 0.839 nan 8.210 nan 0.000 0.485 715 S N 3.797 119.565 115.700 0.113 0.000 2.526 715 S HA 0.664 5.134 4.470 0.000 0.000 0.220 715 S C 0.489 175.344 174.600 0.424 0.000 1.017 715 S CA 0.116 58.514 58.200 0.329 0.000 0.930 715 S CB 0.635 64.140 63.200 0.507 0.000 0.856 715 S HN 0.753 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 -0.902 51.406 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 -0.005 121.466 121.300 0.285 0.000 3.005 717 W HA 0.809 5.469 4.660 0.000 0.000 0.343 717 W C -1.185 175.374 176.519 0.067 0.000 1.243 717 W CA -0.643 56.757 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 1.711 121.569 119.800 0.096 0.000 2.574 718 Q HA 0.302 4.642 4.340 0.000 0.000 0.265 718 Q C -1.561 174.233 176.000 -0.342 0.000 0.975 718 Q CA -0.575 55.102 55.803 -0.210 0.000 0.923 718 Q CB 1.976 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 -1.222 174.673 176.000 -0.174 0.000 1.106 719 Q CA -0.664 55.064 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 1.198 122.701 121.300 0.339 0.000 3.127 720 W HA 0.437 5.097 4.660 0.000 0.000 0.330 720 W C -0.608 175.927 176.519 0.027 0.000 1.187 720 W CA -0.800 56.663 57.345 0.197 0.000 1.198 720 W CB 2.214 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 0.763 176.839 176.300 -0.374 0.000 1.036 721 R CA -0.141 55.452 56.100 -0.846 0.000 0.878 721 R CB 0.612 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 2.769 123.823 121.223 -0.282 0.000 2.049 722 L HA 0.178 4.518 4.340 0.000 0.000 0.203 722 L C 0.897 177.666 176.870 -0.168 0.000 1.074 722 L CA 1.020 55.766 54.840 -0.156 0.000 0.749 722 L CB -0.163 41.847 42.059 -0.082 0.000 0.907 722 L HN 0.664 nan 8.230 nan 0.000 0.439 723 A N -0.808 121.896 122.820 -0.194 0.000 2.588 723 A HA 0.622 4.942 4.320 0.000 0.000 0.290 723 A C -1.420 176.075 177.584 -0.149 0.000 1.136 723 A CA -0.437 51.514 52.037 -0.142 0.000 0.681 723 A CB 1.856 20.807 19.000 -0.081 0.000 1.282 723 A HN 0.057 nan 8.150 nan 0.000 0.421 724 E N 0.409 120.552 120.200 -0.095 0.000 2.275 724 E HA 0.425 4.775 4.350 0.000 0.000 0.270 724 E C -1.676 174.908 176.600 -0.026 0.000 0.882 724 E CA -0.640 55.721 56.400 -0.064 0.000 0.758 724 E CB 1.273 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 4.596 123.295 118.700 -0.002 0.000 2.564 725 N HA 0.295 5.035 4.740 0.000 0.000 0.248 725 N C -0.658 174.865 175.510 0.021 0.000 0.986 725 N CA -0.317 52.739 53.050 0.010 0.000 0.921 725 N CB 1.044 39.541 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 0.130 4.470 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 0.114 54.971 54.840 0.028 0.000 0.846 726 L CB 0.542 42.616 42.059 0.025 0.000 1.111 726 L HN 0.331 nan 8.230 nan 0.000 0.475 727 S N 1.398 117.124 115.700 0.042 0.000 2.465 727 S HA 0.278 4.748 4.470 0.000 0.000 0.279 727 S C 0.557 175.180 174.600 0.038 0.000 1.201 727 S CA -0.898 57.328 58.200 0.043 0.000 1.053 727 S CB 0.811 64.042 63.200 0.052 0.000 0.953 727 S HN 0.437 nan 8.310 nan 0.000 0.488 728 V N 2.572 122.505 119.914 0.032 0.000 3.376 728 V HA 0.299 4.419 4.120 0.000 0.000 0.313 728 V C 0.869 176.980 176.094 0.028 0.000 1.393 728 V CA -0.015 62.302 62.300 0.028 0.000 1.125 728 V CB -1.061 30.776 31.823 0.023 0.000 1.037 728 V HN 0.838 nan 8.190 nan 0.000 0.440 729 T N 0.113 114.685 114.554 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 70.791 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 -2.125 52.728 54.840 0.022 0.000 0.816 730 L CB 0.528 42.597 42.059 0.017 0.000 1.278 730 L HN 0.593 nan 8.230 nan 0.000 0.431 731 P HA 0.336 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 0.964 32.670 31.700 0.011 0.000 0.864 732 A N 2.646 125.462 122.820 -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 1.177 123.956 122.820 -0.068 0.000 2.520 733 A HA 0.487 4.807 4.320 0.000 0.000 0.235 733 A C 0.788 178.204 177.584 -0.280 0.000 1.065 733 A CA 0.475 52.440 52.037 -0.119 0.000 0.764 733 A CB -0.423 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 0.717 116.258 115.700 -0.265 0.000 2.608 734 S HA 0.494 4.964 4.470 0.000 0.000 0.291 734 S C 0.232 174.593 174.600 -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 0.201 119.282 119.070 0.017 0.000 2.539 735 H HA 0.557 5.113 4.556 0.000 0.000 0.269 735 H C 0.585 175.921 175.328 0.013 0.000 0.980 735 H CA 0.553 56.609 56.048 0.013 0.000 1.152 735 H CB -0.093 29.676 29.762 0.011 0.000 1.407 735 H HN 0.775 nan 8.280 nan 0.000 0.564 736 A N 0.952 123.804 122.820 0.054 0.000 2.599 736 A HA 0.618 4.938 4.320 0.000 0.000 0.290 736 A C -1.064 176.537 177.584 0.028 0.000 1.101 736 A CA -0.777 51.291 52.037 0.051 0.000 0.674 736 A CB 1.470 20.511 19.000 0.068 0.000 1.277 736 A HN 0.216 nan 8.150 nan 0.000 0.419 737 I N -1.551 119.040 120.570 0.036 0.000 2.865 737 I HA 0.790 4.960 4.170 0.000 0.000 0.302 737 I C -2.875 173.279 176.117 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 40.410 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 0.382 63.540 63.100 0.096 0.000 0.781 738 P CB 0.191 31.905 31.700 0.023 0.000 0.877 739 H N 1.897 120.996 119.070 0.048 0.000 2.587 739 H HA 0.370 4.926 4.556 0.000 0.000 0.325 739 H C -1.015 174.340 175.328 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 5.070 126.169 121.223 -0.206 0.000 2.326 740 L HA 0.316 4.656 4.340 0.000 0.000 0.278 740 L C -0.736 175.926 176.870 -0.346 0.000 1.092 740 L CA 0.277 54.972 54.840 -0.242 0.000 0.810 740 L CB 1.387 43.370 42.059 -0.127 0.000 1.153 740 L HN 0.645 nan 8.230 nan 0.000 0.439 741 T N 3.024 117.466 114.554 -0.187 0.000 2.921 741 T HA 0.427 4.777 4.350 0.000 0.000 0.297 741 T C -0.634 174.114 174.700 0.081 0.000 1.013 741 T CA -0.459 61.586 62.100 -0.091 0.000 0.990 741 T CB 1.389 70.186 68.868 -0.118 0.000 1.023 741 T HN 0.610 nan 8.240 nan 0.000 0.447 742 T N 2.591 117.213 114.554 0.112 0.000 2.821 742 T HA 0.487 4.837 4.350 0.000 0.000 0.307 742 T C 0.606 175.368 174.700 0.104 0.000 1.034 742 T CA -0.478 61.746 62.100 0.208 0.000 0.953 742 T CB 1.029 70.048 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 0.250 4.720 4.470 0.000 0.000 0.267 743 S C 1.292 175.870 174.600 -0.036 0.000 1.189 743 S CA -0.332 57.872 58.200 0.006 0.000 1.010 743 S CB 0.993 64.191 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 1.399 177.930 176.600 -0.114 0.000 0.990 744 E CA 0.123 56.483 56.400 -0.067 0.000 0.886 744 E CB -0.015 29.663 29.700 -0.037 0.000 0.866 744 E HN 0.578 nan 8.360 nan 0.000 0.493 745 M N 1.252 120.792 119.600 -0.101 0.000 2.501 745 M HA 0.161 4.641 4.480 0.000 0.000 0.261 745 M C -0.316 175.894 176.300 -0.150 0.000 1.129 745 M CA 0.789 56.031 55.300 -0.097 0.000 1.126 745 M CB -0.256 32.319 32.600 -0.042 0.000 1.359 745 M HN 0.112 nan 8.290 nan 0.000 0.471 746 D N -2.093 118.185 120.400 -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 -0.262 0.000 0.838 746 D CB 0.635 41.418 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 -1.681 175.092 176.600 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 32.702 29.700 0.130 0.000 1.228 750 E HN 0.554 nan 8.360 nan 0.000 0.424 751 L N 3.797 125.178 121.223 0.264 0.000 2.929 751 L HA 0.461 4.801 4.340 0.000 0.000 0.246 751 L C -0.148 176.803 176.870 0.136 0.000 0.960 751 L CA 0.721 55.697 54.840 0.226 0.000 1.056 751 L CB 0.801 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 3.806 112.655 108.800 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 1.009 119.694 118.700 -0.025 0.000 2.396 753 N HA 0.006 4.746 4.740 0.000 0.000 0.180 753 N C 0.834 176.282 175.510 -0.103 0.000 1.028 753 N CA 1.450 54.465 53.050 -0.057 0.000 0.893 753 N CB -0.155 38.300 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 -0.077 56.004 56.287 -0.343 0.000 0.955 754 K CB 1.003 33.235 32.500 -0.447 0.000 0.975 754 K HN 0.047 nan 8.250 nan 0.000 0.471 755 R N 1.664 121.826 120.500 -0.564 0.000 2.604 755 R HA 0.355 4.695 4.340 0.000 0.000 0.270 755 R C -1.699 174.470 176.300 -0.219 0.000 1.052 755 R CA -0.648 55.330 56.100 -0.204 0.000 0.902 755 R CB 1.349 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 3.037 124.442 121.300 0.177 0.000 2.883 756 W HA 0.344 5.004 4.660 0.000 0.000 0.335 756 W C -0.746 175.853 176.519 0.132 0.000 1.083 756 W CA -0.555 56.851 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 -2.021 173.904 176.000 -0.124 0.000 1.043 757 Q CA -0.504 55.411 55.803 0.187 0.000 0.794 757 Q CB 1.809 30.723 28.738 0.295 0.000 1.281 757 Q HN 0.372 nan 8.270 nan 0.000 0.446 758 F N 2.779 122.822 119.950 0.155 0.000 2.426 758 F HA 0.316 4.843 4.527 0.000 0.000 0.348 758 F C 0.623 176.444 175.800 0.035 0.000 1.124 758 F CA -0.814 57.244 58.000 0.096 0.000 1.008 758 F CB 1.382 40.458 39.000 0.126 0.000 1.139 758 F HN 0.518 nan 8.300 nan 0.000 0.452 759 N N 3.477 122.276 118.700 0.164 0.000 2.497 759 N HA 0.076 4.816 4.740 0.000 0.000 0.268 759 N C 0.885 176.396 175.510 0.001 0.000 1.171 759 N CA 0.048 53.140 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 1.362 121.784 120.500 -0.130 0.000 2.236 760 R HA -0.030 4.310 4.340 0.000 0.000 0.208 760 R C 1.456 177.680 176.300 -0.127 0.000 1.036 760 R CA 0.965 56.930 56.100 -0.225 0.000 1.001 760 R CB 0.242 30.292 30.300 -0.416 0.000 0.896 760 R HN 0.698 nan 8.270 nan 0.000 0.464 761 Q N -0.482 119.278 119.800 -0.067 0.000 2.373 761 Q HA 0.040 4.380 4.340 0.000 0.000 0.210 761 Q C 1.740 177.723 176.000 -0.028 0.000 0.913 761 Q CA 1.210 56.984 55.803 -0.048 0.000 0.911 761 Q CB 0.244 28.969 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 -0.141 0.000 1.029 762 S CA 0.791 59.029 58.200 0.064 0.000 0.946 762 S CB -0.078 63.284 63.200 0.270 0.000 0.797 762 S HN 0.584 nan 8.310 nan 0.000 0.504 763 G N 0.434 109.166 108.800 -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 0.366 45.364 45.100 -0.170 0.000 0.689 763 G HN 0.534 nan 8.290 nan 0.000 0.522 764 F N -1.364 118.771 119.950 0.309 0.000 2.575 764 F HA 0.680 5.207 4.527 0.000 0.000 0.330 764 F C 0.464 176.338 175.800 0.123 0.000 1.056 764 F CA -1.470 56.690 58.000 0.266 0.000 0.964 764 F CB 1.381 40.482 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 0.558 177.346 176.870 -0.136 0.000 1.124 765 L CA 0.785 55.365 54.840 -0.434 0.000 0.880 765 L CB 0.246 42.065 42.059 -0.401 0.000 1.192 765 L HN 0.635 nan 8.230 nan 0.000 0.463 766 S N 2.659 118.264 115.700 -0.158 0.000 2.456 766 S HA 0.145 4.615 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 0.328 58.488 58.200 -0.068 0.000 0.940 766 S CB 0.040 63.241 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 -1.656 174.037 176.000 -0.512 0.000 0.940 767 Q CA -0.607 54.932 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 0.323 119.479 119.600 -0.739 0.000 2.465 768 M HA 0.782 5.262 4.480 0.000 0.000 0.284 768 M C -1.964 173.919 176.300 -0.696 0.000 1.212 768 M CA -0.288 54.659 55.300 -0.588 0.000 0.910 768 M CB 1.999 34.286 32.600 -0.521 0.000 1.725 768 M HN 0.510 nan 8.290 nan 0.000 0.477 769 W N 3.274 124.349 121.300 -0.376 0.000 2.844 769 W HA 0.693 5.353 4.660 0.000 0.000 0.340 769 W C -1.524 174.788 176.519 -0.345 0.000 1.093 769 W CA -0.897 56.278 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 2.139 122.715 120.570 0.011 0.000 2.418 770 I HA 0.452 4.622 4.170 0.000 0.000 0.287 770 I C 0.828 176.944 176.117 -0.002 0.000 1.008 770 I CA 0.250 61.507 61.300 -0.071 0.000 1.104 770 I CB 1.270 39.200 38.000 -0.116 0.000 1.264 770 I HN 0.722 nan 8.210 nan 0.000 0.438 771 G N 5.595 114.381 108.800 -0.022 0.000 2.583 771 G HA2 -0.301 3.659 3.960 0.000 0.000 0.292 771 G HA3 -0.301 3.659 3.960 0.000 0.000 0.292 771 G C 0.322 175.244 174.900 0.036 0.000 1.203 771 G CA 0.517 45.610 45.100 -0.011 0.000 0.987 771 G HN 0.787 nan 8.290 nan 0.000 0.554 772 D N 0.745 121.180 120.400 0.058 0.000 2.402 772 D HA 0.230 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 0.037 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 2.211 773 K HA 0.295 4.615 4.320 0.000 0.000 0.275 773 K C -0.070 176.503 176.600 -0.045 0.000 1.024 773 K CA -0.504 55.826 56.287 0.073 0.000 0.887 773 K CB 1.850 34.349 32.500 -0.001 0.000 1.084 773 K HN -0.155 nan 8.250 nan 0.000 0.463 774 K N 1.811 122.089 120.400 -0.202 0.000 2.258 774 K HA 0.048 4.368 4.320 0.000 0.000 0.264 774 K C 0.758 177.150 176.600 -0.348 0.000 1.007 774 K CA -0.156 55.793 56.287 -0.563 0.000 0.941 774 K CB 0.725 32.944 32.500 -0.469 0.000 0.966 774 K HN 0.434 nan 8.250 nan 0.000 0.480 775 Q N 0.984 120.552 119.800 -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 0.749 121.837 121.223 -0.224 0.000 2.362 776 L HA 0.426 4.766 4.340 0.000 0.000 0.271 776 L C 0.839 177.584 176.870 -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 -0.543 120.548 121.223 -0.220 0.000 2.513 777 L HA 0.275 4.615 4.340 0.000 0.000 0.222 777 L C 0.429 177.186 176.870 -0.188 0.000 1.096 777 L CA 0.562 55.277 54.840 -0.208 0.000 0.857 777 L CB 0.052 41.974 42.059 -0.229 0.000 1.026 777 L HN 0.577 nan 8.230 nan 0.000 0.469 778 T N 0.602 115.030 114.554 -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 71.396 68.868 -0.171 0.000 1.070 778 T HN -0.225 nan 8.240 nan 0.000 0.465 779 P HA 0.228 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 -0.733 62.348 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 3.920 125.155 121.223 0.020 0.000 2.361 780 L HA 0.292 4.632 4.340 0.000 0.000 0.278 780 L C 0.577 177.390 176.870 -0.096 0.000 1.113 780 L CA 0.585 55.458 54.840 0.055 0.000 0.849 780 L CB -0.541 41.661 42.059 0.238 0.000 1.155 780 L HN 0.465 nan 8.230 nan 0.000 0.452 781 R N 2.097 122.485 120.500 -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 -0.969 54.902 56.100 -0.381 0.000 0.893 781 R CB 0.409 30.131 30.300 -0.963 0.000 1.244 781 R HN 0.436 nan 8.270 nan 0.000 0.464 782 D N 0.986 121.310 120.400 -0.126 0.000 2.423 782 D HA 0.094 4.734 4.640 0.000 0.000 0.238 782 D C -0.443 175.494 176.300 -0.604 0.000 1.142 782 D CA 0.454 54.240 54.000 -0.357 0.000 0.884 782 D CB 0.637 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 1.136 120.359 119.800 -0.963 0.000 2.271 783 Q HA 0.320 4.660 4.340 0.000 0.000 0.268 783 Q C -1.223 174.049 176.000 -1.214 0.000 1.021 783 Q CA -0.580 54.706 55.803 -0.861 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 0.736 120.344 119.950 -0.570 0.000 2.706 784 F HA 0.198 4.725 4.527 0.000 0.000 0.313 784 F C 0.775 176.191 175.800 -0.640 0.000 1.096 784 F CA -0.124 57.447 58.000 -0.715 0.000 1.219 784 F CB 1.424 39.757 39.000 -1.111 0.000 1.051 784 F HN 0.452 nan 8.300 nan 0.000 0.568 785 T N -0.980 113.315 114.554 -0.431 0.000 2.858 785 T HA 0.764 5.114 4.350 0.000 0.000 0.285 785 T C -0.585 173.889 174.700 -0.377 0.000 1.052 785 T CA -0.982 60.788 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 -0.410 119.904 120.500 -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 -1.176 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 3.254 126.120 122.820 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 -1.459 50.625 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 0.017 nan 4.420 nan 0.000 0.263 788 P C -0.276 177.142 177.300 0.198 0.000 1.168 788 P CA 0.586 63.846 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 -0.624 54.242 54.840 0.044 0.000 0.801 789 L CB 0.253 42.273 42.059 -0.066 0.000 1.191 789 L HN 0.311 nan 8.230 nan 0.000 0.459 790 D N 0.582 120.954 120.400 -0.046 0.000 2.116 790 D HA -0.183 4.457 4.640 0.000 0.000 0.193 790 D C 1.586 177.870 176.300 -0.028 0.000 0.998 790 D CA 1.585 55.521 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 1.185 119.867 118.700 -0.029 0.000 2.149 791 N HA -0.133 4.607 4.740 0.000 0.000 0.188 791 N C 1.231 176.771 175.510 0.051 0.000 1.019 791 N CA 0.867 53.918 53.050 0.002 0.000 0.857 791 N CB -0.329 38.136 38.487 -0.035 0.000 0.997 791 N HN 0.285 nan 8.380 nan 0.000 0.426 792 D N 0.310 120.756 120.400 0.077 0.000 2.224 792 D HA 0.006 4.646 4.640 0.000 0.000 0.205 792 D C 2.001 178.369 176.300 0.112 0.000 0.965 792 D CA 0.382 54.467 54.000 0.141 0.000 0.852 792 D CB 0.022 40.979 40.800 0.262 0.000 0.947 792 D HN 0.333 nan 8.370 nan 0.000 0.494 793 I N 0.473 121.092 120.570 0.082 0.000 2.400 793 I HA -0.007 4.163 4.170 0.000 0.000 0.248 793 I C 1.108 177.238 176.117 0.022 0.000 1.109 793 I CA 0.453 61.783 61.300 0.050 0.000 1.425 793 I CB -0.277 37.733 38.000 0.017 0.000 1.094 793 I HN -0.018 nan 8.210 nan 0.000 0.425 794 G N 2.828 111.650 108.800 0.037 0.000 2.247 794 G HA2 -0.124 3.837 3.960 0.000 0.000 0.260 794 G HA3 -0.124 3.837 3.960 0.000 0.000 0.260 794 G C -0.146 174.789 174.900 0.059 0.000 0.852 794 G CA 0.579 45.717 45.100 0.064 0.000 1.281 794 G HN 0.442 nan 8.290 nan 0.000 0.378 795 V N -1.047 118.899 119.914 0.053 0.000 2.841 795 V HA 0.903 5.023 4.120 0.000 0.000 0.310 795 V C 0.628 176.613 176.094 -0.182 0.000 1.090 795 V CA 0.194 62.464 62.300 -0.051 0.000 0.930 795 V CB 1.742 33.507 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 0.363 4.833 4.470 0.000 0.000 0.219 796 S C 0.281 174.189 174.600 -1.152 0.000 1.031 796 S CA -0.115 57.303 58.200 -1.303 0.000 0.911 796 S CB -0.080 62.254 63.200 -1.445 0.000 0.812 796 S HN 0.859 nan 8.310 nan 0.000 0.497 797 E N 0.784 120.611 120.200 -0.622 0.000 2.241 797 E HA 0.586 4.936 4.350 0.000 0.000 0.263 797 E C 0.355 176.788 176.600 -0.277 0.000 0.882 797 E CA -0.285 55.852 56.400 -0.438 0.000 0.769 797 E CB 1.860 31.331 29.700 -0.381 0.000 1.185 797 E HN 0.221 nan 8.360 nan 0.000 0.415 798 A N 2.819 125.514 122.820 -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 2.610 54.579 52.037 -0.114 0.000 0.649 798 A CB -0.799 18.163 19.000 -0.063 0.000 0.818 798 A HN 0.653 nan 8.150 nan 0.000 0.458 799 T N -0.164 114.319 114.554 -0.118 0.000 2.708 799 T HA -0.067 4.283 4.350 0.000 0.000 0.266 799 T C 0.961 175.603 174.700 -0.097 0.000 1.037 799 T CA 1.270 63.310 62.100 -0.100 0.000 1.146 799 T CB -0.191 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 1.953 122.377 120.500 -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 0.514 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 -1.286 119.239 120.570 -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 60.808 61.300 -0.062 0.000 1.265 801 I CB 1.464 39.437 38.000 -0.044 0.000 1.388 801 I HN 0.326 nan 8.210 nan 0.000 0.480 802 D N 7.681 128.042 120.400 -0.065 0.000 2.427 802 D HA 0.431 5.071 4.640 0.000 0.000 0.226 802 D C -1.820 174.421 176.300 -0.098 0.000 1.076 802 D CA -2.413 51.541 54.000 -0.078 0.000 0.849 802 D CB 1.713 42.468 40.800 -0.075 0.000 1.052 802 D HN 0.373 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 0.732 63.767 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 -0.511 118.075 118.700 -0.190 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 -0.287 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 0.071 122.723 122.820 -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 0.330 nan 8.150 nan 0.000 0.497 806 W N 1.773 122.791 121.300 -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 -0.458 28.300 29.460 -1.171 0.000 1.154 806 W HN 0.551 nan 8.180 nan 0.000 0.483 807 V N 0.625 120.425 119.914 -0.190 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 64.622 62.300 0.189 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 0.187 120.369 120.200 -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 1.439 57.817 56.400 -0.037 0.000 0.801 808 E CB -0.369 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 2.314 178.560 176.300 -0.090 0.000 1.126 809 R CA 1.112 57.082 56.100 -0.217 0.000 0.963 809 R CB -0.433 29.614 30.300 -0.422 0.000 0.858 809 R HN 0.274 nan 8.270 nan 0.000 0.435 810 W N 1.982 123.239 121.300 -0.073 0.000 2.358 810 W HA -0.032 4.628 4.660 0.000 0.000 0.303 810 W C 2.061 178.546 176.519 -0.057 0.000 1.208 810 W CA 0.385 57.593 57.345 -0.229 0.000 1.274 810 W CB -0.575 28.869 29.460 -0.027 0.000 1.138 810 W HN 0.120 nan 8.180 nan 0.000 0.515 811 K N 0.002 120.632 120.400 0.383 0.000 1.985 811 K HA -0.119 4.201 4.320 0.000 0.000 0.210 811 K C 2.200 178.887 176.600 0.144 0.000 1.047 811 K CA 1.739 58.219 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 1.200 124.069 122.820 0.082 0.000 2.024 812 A HA -0.140 4.180 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 1.931 53.993 52.037 0.043 0.000 0.643 812 A CB -0.493 18.514 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 0.395 4.715 4.320 0.000 0.000 0.214 813 A C 1.892 179.409 177.584 -0.112 0.000 1.152 813 A CA 1.305 53.336 52.037 -0.011 0.000 0.728 813 A CB -0.718 18.259 19.000 -0.039 0.000 0.814 813 A HN 1.889 nan 8.150 nan 0.000 0.464 814 G N -1.819 106.858 108.800 -0.204 0.000 2.141 814 G HA2 -0.281 3.679 3.960 0.000 0.000 0.231 814 G HA3 -0.281 3.679 3.960 0.000 0.000 0.231 814 G C 0.611 175.479 174.900 -0.053 0.000 0.984 814 G CA 0.612 45.386 45.100 -0.543 0.000 0.660 814 G HN 0.705 nan 8.290 nan 0.000 0.525 815 H N -1.303 117.721 119.070 -0.078 0.000 2.387 815 H HA -0.112 4.444 4.556 0.000 0.000 0.299 815 H C 2.177 177.458 175.328 -0.079 0.000 1.099 815 H CA 1.651 57.654 56.048 -0.074 0.000 1.315 815 H CB 0.091 29.732 29.762 -0.201 0.000 1.380 815 H HN 0.615 nan 8.280 nan 0.000 0.513 816 Y N 0.737 121.154 120.300 0.196 0.000 2.509 816 Y HA -0.103 4.447 4.550 0.000 0.000 0.293 816 Y C 1.799 177.778 175.900 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 38.941 38.460 0.113 0.000 1.001 816 Y HN 0.358 nan 8.280 nan 0.000 0.555 817 Q N -0.648 119.311 119.800 0.265 0.000 2.106 817 Q HA 0.464 4.804 4.340 0.000 0.000 0.273 817 Q C -0.290 175.889 176.000 0.298 0.000 0.853 817 Q CA -0.378 55.580 55.803 0.259 0.000 1.118 817 Q CB 0.415 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 0.375 4.695 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 -0.216 52.050 52.037 0.382 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 0.698 121.095 120.200 0.328 0.000 2.156 819 E HA 0.473 4.823 4.350 0.000 0.000 0.279 819 E C -0.095 176.486 176.600 -0.033 0.000 0.965 819 E CA -0.233 56.276 56.400 0.180 0.000 0.789 819 E CB 1.770 31.542 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 -0.256 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 -0.120 51.462 52.037 -0.757 0.000 0.794 820 A CB 0.571 19.063 19.000 -0.846 0.000 1.029 820 A HN 0.561 nan 8.150 nan 0.000 0.488 821 A N 1.890 124.541 122.820 -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 1.171 nan 8.150 nan 0.000 0.435 822 L N 3.372 124.490 121.223 -0.174 0.000 2.418 822 L HA 0.285 4.625 4.340 0.000 0.000 0.274 822 L C 0.567 177.301 176.870 -0.227 0.000 1.135 822 L CA 0.029 54.660 54.840 -0.348 0.000 0.870 822 L CB 0.092 41.961 42.059 -0.317 0.000 1.154 822 L HN 0.804 nan 8.230 nan 0.000 0.462 823 L N 3.652 124.733 121.223 -0.237 0.000 2.357 823 L HA 0.226 4.566 4.340 0.000 0.000 0.211 823 L C 0.471 177.274 176.870 -0.112 0.000 1.075 823 L CA 0.184 54.953 54.840 -0.120 0.000 0.830 823 L CB 0.085 42.107 42.059 -0.061 0.000 0.996 823 L HN 0.801 nan 8.230 nan 0.000 0.467 824 Q N -0.654 119.046 119.800 -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 -0.761 54.979 55.803 -0.104 0.000 0.887 824 Q CB 2.281 30.990 28.738 -0.049 0.000 1.516 824 Q HN 0.016 nan 8.270 nan 0.000 0.395 825 C N 2.768 122.044 119.300 -0.041 0.000 2.705 825 C HA 0.893 5.353 4.460 0.000 0.000 0.369 825 C C -1.097 173.958 174.990 0.107 0.000 1.069 825 C CA 0.758 59.790 59.018 0.023 0.000 1.260 825 C CB 0.846 28.596 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 -1.235 176.127 177.584 -0.369 0.000 1.075 827 A CA -0.644 51.013 52.037 -0.633 0.000 0.746 827 A CB 1.449 19.653 19.000 -1.327 0.000 1.277 827 A HN 0.894 nan 8.150 nan 0.000 0.425 828 D N 0.292 120.521 120.400 -0.285 0.000 2.736 828 D HA 0.451 5.091 4.640 0.000 0.000 0.223 828 D C -1.311 174.904 176.300 -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 1.513 116.008 114.554 -0.098 0.000 2.758 829 T HA 0.513 4.863 4.350 0.000 0.000 0.285 829 T C 0.123 174.793 174.700 -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 69.933 68.868 -0.043 0.000 0.927 829 T HN 0.057 nan 8.240 nan 0.000 0.448 830 L N 1.674 122.869 121.223 -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 54.319 54.840 -0.034 0.000 0.800 830 L CB 0.110 42.147 42.059 -0.036 0.000 1.290 830 L HN 0.721 nan 8.230 nan 0.000 0.462 831 A N -0.171 122.638 122.820 -0.018 0.000 1.933 831 A HA -0.148 4.173 4.320 0.000 0.000 0.218 831 A C 0.948 178.525 177.584 -0.012 0.000 1.175 831 A CA 2.034 54.064 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 -2.471 117.919 120.400 -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 54.649 54.000 -0.019 0.000 0.828 832 D CB 0.501 41.290 40.800 -0.018 0.000 1.039 832 D HN 0.512 nan 8.370 nan 0.000 0.512 833 A N -0.411 122.389 122.820 -0.033 0.000 2.511 833 A HA 0.618 4.938 4.320 0.000 0.000 0.293 833 A C -1.749 175.796 177.584 -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 19.730 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 -0.873 175.136 176.094 -0.142 0.000 1.040 834 V CA -0.476 61.748 62.300 -0.127 0.000 0.913 834 V CB 1.357 33.090 31.823 -0.150 0.000 0.992 834 V HN 0.826 nan 8.190 nan 0.000 0.449 835 L N 5.778 126.907 121.223 -0.156 0.000 2.376 835 L HA 0.655 4.995 4.340 0.000 0.000 0.275 835 L C -0.913 175.836 176.870 -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 43.416 42.059 -0.096 0.000 1.249 835 L HN 0.405 nan 8.230 nan 0.000 0.409 836 I N 3.684 124.147 120.570 -0.179 0.000 2.441 836 I HA 0.531 4.701 4.170 0.000 0.000 0.295 836 I C -0.045 176.061 176.117 -0.019 0.000 0.994 836 I CA -0.380 60.774 61.300 -0.242 0.000 1.144 836 I CB 1.723 39.365 38.000 -0.597 0.000 1.314 836 I HN 0.525 nan 8.210 nan 0.000 0.445 837 T N 4.520 119.050 114.554 -0.041 0.000 2.879 837 T HA 0.630 4.980 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 -1.137 173.631 174.700 0.112 0.000 1.084 838 T CA -1.110 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 0.790 nan 8.240 nan 0.000 0.509 839 A N 1.432 124.242 122.820 -0.016 0.000 2.465 839 A HA 0.712 5.032 4.320 0.000 0.000 0.292 839 A C -1.492 176.029 177.584 -0.105 0.000 1.041 839 A CA -0.790 51.286 52.037 0.065 0.000 0.718 839 A CB 0.723 19.748 19.000 0.042 0.000 1.266 839 A HN 0.985 nan 8.150 nan 0.000 0.403 840 H N 0.260 119.394 119.070 0.107 0.000 2.797 840 H HA 0.850 5.406 4.556 0.000 0.000 0.372 840 H C 0.029 175.411 175.328 0.090 0.000 1.168 840 H CA 0.157 56.190 56.048 -0.024 0.000 1.163 840 H CB 2.107 31.729 29.762 -0.233 0.000 1.778 840 H HN 1.015 nan 8.280 nan 0.000 0.551 841 A N 1.334 124.200 122.820 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 20.280 19.000 0.119 0.000 1.239 841 A HN 0.582 nan 8.150 nan 0.000 0.435 842 W N 2.221 123.612 121.300 0.151 0.000 2.429 842 W HA 0.420 5.080 4.660 0.000 0.000 0.314 842 W C -0.316 176.189 176.519 -0.023 0.000 1.062 842 W CA -0.298 57.117 57.345 0.117 0.000 1.211 842 W CB 1.697 31.269 29.460 0.187 0.000 1.305 842 W HN 0.773 nan 8.180 nan 0.000 0.476 843 Q N 1.855 121.783 119.800 0.214 0.000 2.496 843 Q HA 0.479 4.819 4.340 0.000 0.000 0.286 843 Q C -1.027 175.099 176.000 0.210 0.000 1.103 843 Q CA -0.971 54.913 55.803 0.135 0.000 0.813 843 Q CB 3.500 32.285 28.738 0.079 0.000 1.444 843 Q HN 0.447 nan 8.270 nan 0.000 0.443 844 H N 0.800 119.893 119.070 0.039 0.000 3.240 844 H HA 0.052 4.608 4.556 0.000 0.000 0.329 844 H C -0.968 174.386 175.328 0.042 0.000 1.024 844 H CA 0.029 56.111 56.048 0.056 0.000 1.487 844 H CB 0.960 30.763 29.762 0.068 0.000 1.909 844 H HN 0.864 nan 8.280 nan 0.000 0.465 845 Q N 3.217 122.802 119.800 -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 56.795 55.803 -0.241 0.000 0.853 845 Q CB -1.464 27.095 28.738 -0.298 0.000 1.193 845 Q HN 1.171 nan 8.270 nan 0.000 0.461 846 G N -0.190 108.588 108.800 -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 0.068 174.977 174.900 0.014 0.000 0.980 846 G CA 0.676 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 1.224 121.641 120.400 0.030 0.000 2.156 847 K HA 0.620 4.940 4.320 0.000 0.000 0.271 847 K C -0.132 176.480 176.600 0.021 0.000 0.995 847 K CA -0.123 56.183 56.287 0.032 0.000 0.890 847 K CB 0.861 33.388 32.500 0.044 0.000 1.073 847 K HN 0.011 nan 8.250 nan 0.000 0.454 848 T N 5.733 120.289 114.554 0.002 0.000 2.728 848 T HA 0.231 4.581 4.350 0.000 0.000 0.296 848 T C 1.095 175.728 174.700 -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 1.996 123.037 121.223 -0.304 0.000 2.168 849 L HA 0.354 4.694 4.340 0.000 0.000 0.203 849 L C -0.070 176.311 176.870 -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 -1.531 0.000 0.939 849 L HN 0.526 nan 8.230 nan 0.000 0.451 850 F N -1.085 118.815 119.950 -0.082 0.000 2.626 850 F HA 0.593 5.120 4.527 0.000 0.000 0.311 850 F C -0.518 175.377 175.800 0.159 0.000 1.088 850 F CA -0.865 57.053 58.000 -0.137 0.000 0.949 850 F CB 1.982 40.565 39.000 -0.693 0.000 1.322 850 F HN -0.326 nan 8.300 nan 0.000 0.461 851 I N 1.423 122.229 120.570 0.394 0.000 2.466 851 I HA 0.404 4.574 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 60.980 61.300 0.421 0.000 1.078 851 I CB 2.226 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 6.716 122.772 115.700 0.594 0.000 2.552 852 S HA 0.605 5.075 4.470 0.000 0.000 0.314 852 S C -0.768 174.084 174.600 0.420 0.000 1.099 852 S CA -0.671 57.848 58.200 0.531 0.000 1.070 852 S CB 0.792 64.423 63.200 0.718 0.000 0.998 852 S HN 0.583 nan 8.310 nan 0.000 0.474 853 R N 3.434 124.103 120.500 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 1.930 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 0.670 121.144 120.400 0.122 0.000 2.395 854 K HA 0.558 4.878 4.320 0.000 0.000 0.245 854 K C -0.727 175.858 176.600 -0.024 0.000 1.017 854 K CA -0.971 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 -1.457 173.117 174.700 -0.210 0.000 1.064 855 T CA -0.787 61.264 62.100 -0.082 0.000 1.008 855 T CB 0.429 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 -1.101 56.987 58.100 -0.019 0.000 1.100 856 Y CB 2.015 40.481 38.460 0.009 0.000 1.179 856 Y HN 0.807 nan 8.280 nan 0.000 0.454 857 R N 4.905 125.453 120.500 0.079 0.000 2.483 857 R HA 0.633 4.973 4.340 0.000 0.000 0.303 857 R C -1.999 174.262 176.300 -0.065 0.000 0.987 857 R CA -0.382 55.710 56.100 -0.013 0.000 0.881 857 R CB 0.834 31.126 30.300 -0.013 0.000 1.177 857 R HN 0.820 nan 8.270 nan 0.000 0.451 858 I N 4.589 125.066 120.570 -0.154 0.000 2.362 858 I HA 0.267 4.437 4.170 0.000 0.000 0.289 858 I C -0.383 175.634 176.117 -0.167 0.000 0.994 858 I CA -0.945 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 0.708 nan 8.210 nan 0.000 0.451 859 D N 4.026 124.358 120.400 -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 53.272 54.000 -0.059 0.000 1.050 859 D CB 0.959 41.740 40.800 -0.032 0.000 1.221 859 D HN 0.501 nan 8.370 nan 0.000 0.589 860 G N -1.218 107.571 108.800 -0.019 0.000 2.498 860 G HA2 -0.189 3.771 3.960 0.000 0.000 0.219 860 G HA3 -0.189 3.771 3.960 0.000 0.000 0.219 860 G C 1.172 176.077 174.900 0.008 0.000 1.119 860 G CA 1.081 46.178 45.100 -0.004 0.000 0.766 860 G HN 0.557 nan 8.290 nan 0.000 0.552 861 S N -0.860 114.844 115.700 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 0.892 59.106 58.200 0.024 0.000 0.914 861 S CB -0.008 63.201 63.200 0.016 0.000 0.776 861 S HN 1.471 nan 8.310 nan 0.000 0.523 862 G N 0.853 109.705 108.800 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 0.059 176.070 176.000 0.019 0.000 0.974 863 Q CA -0.608 55.244 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 -0.512 54.826 55.300 0.064 0.000 0.956 864 M CB 1.104 33.738 32.600 0.056 0.000 1.551 864 M HN 0.756 nan 8.290 nan 0.000 0.427 865 A N 6.973 129.860 122.820 0.111 0.000 2.288 865 A HA 0.772 5.092 4.320 0.000 0.000 0.320 865 A C -0.892 176.731 177.584 0.066 0.000 1.217 865 A CA -0.695 51.405 52.037 0.106 0.000 0.840 865 A CB 0.553 19.595 19.000 0.070 0.000 1.179 865 A HN 0.908 nan 8.150 nan 0.000 0.504 866 I N 1.455 122.047 120.570 0.037 0.000 2.474 866 I HA 0.462 4.632 4.170 0.000 0.000 0.294 866 I C -0.178 175.834 176.117 -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 5.031 119.427 114.554 -0.262 0.000 2.841 867 T HA 0.550 4.900 4.350 0.000 0.000 0.285 867 T C -0.613 173.883 174.700 -0.341 0.000 0.991 867 T CA -0.383 61.564 62.100 -0.256 0.000 0.966 867 T CB 1.867 70.677 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 -0.784 175.140 176.094 -0.283 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 3.066 123.468 120.400 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 -0.119 53.985 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 0.048 176.291 176.094 0.248 0.000 1.045 870 V CA -0.704 61.765 62.300 0.283 0.000 0.905 870 V CB 2.532 34.547 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 2.287 122.323 119.914 0.204 0.000 2.487 872 V HA 0.455 4.575 4.120 0.000 0.000 0.298 872 V C -0.061 176.134 176.094 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 1.676 179.337 177.584 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 1.624 117.392 115.700 0.114 0.000 2.400 874 S HA -0.189 4.281 4.470 0.000 0.000 0.232 874 S C 0.984 175.670 174.600 0.142 0.000 1.025 874 S CA 1.598 59.879 58.200 0.135 0.000 0.993 874 S CB -0.342 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 0.152 4.792 4.640 0.000 0.000 0.225 875 D C 0.507 176.858 176.300 0.084 0.000 1.096 875 D CA 0.017 54.064 54.000 0.078 0.000 0.844 875 D CB -0.330 40.499 40.800 0.049 0.000 0.925 875 D HN 0.332 nan 8.370 nan 0.000 0.513 876 T N 0.754 115.388 114.554 0.133 0.000 2.943 876 T HA 0.449 4.799 4.350 0.000 0.000 0.284 876 T C -2.674 172.160 174.700 0.223 0.000 1.015 876 T CA -2.026 60.179 62.100 0.176 0.000 1.042 876 T CB 1.394 70.382 68.868 0.198 0.000 1.055 876 T HN -0.192 nan 8.240 nan 0.000 0.500 877 P HA 0.193 nan 4.420 nan 0.000 0.271 877 P C -0.640 176.970 177.300 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 31.936 31.700 0.146 0.000 0.881 878 H N 2.940 122.355 119.070 0.574 0.000 2.964 878 H HA 0.092 4.648 4.556 0.000 0.000 0.328 878 H C -1.871 173.804 175.328 0.578 0.000 1.030 878 H CA -1.735 54.600 56.048 0.478 0.000 1.445 878 H CB -0.952 29.027 29.762 0.361 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 -0.130 0.000 1.231 879 P CA -0.336 62.835 63.100 0.118 0.000 0.790 879 P CB 0.839 32.472 31.700 -0.112 0.000 0.951 880 A N 3.085 125.595 122.820 -0.517 0.000 1.969 880 A HA -0.087 4.233 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 1.468 53.150 52.037 -0.592 0.000 0.635 880 A CB -0.558 17.897 19.000 -0.907 0.000 0.810 880 A HN 0.765 nan 8.150 nan 0.000 0.445 881 R N -2.935 117.239 120.500 -0.543 0.000 2.741 881 R HA 0.704 5.044 4.340 0.000 0.000 0.274 881 R C -1.888 174.174 176.300 -0.397 0.000 1.029 881 R CA -0.819 54.973 56.100 -0.513 0.000 0.880 881 R CB 0.585 30.517 30.300 -0.614 0.000 1.264 881 R HN 0.026 nan 8.270 nan 0.000 0.465 882 I N 1.059 121.429 120.570 -0.334 0.000 2.540 882 I HA 0.639 4.809 4.170 0.000 0.000 0.280 882 I C -0.473 175.416 176.117 -0.379 0.000 1.083 882 I CA -0.428 60.683 61.300 -0.315 0.000 1.080 882 I CB 1.790 39.679 38.000 -0.186 0.000 1.205 882 I HN 1.008 nan 8.210 nan 0.000 0.459 883 G N 5.770 114.304 108.800 -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 -0.350 0.000 0.843 883 G HN 0.295 nan 8.290 nan 0.000 0.486 884 L N 0.548 121.650 121.223 -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 53.617 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 0.868 nan 8.230 nan 0.000 0.419 885 N N 0.097 118.725 118.700 -0.120 0.000 2.823 885 N HA 0.671 5.411 4.740 0.000 0.000 0.251 885 N C -1.341 174.182 175.510 0.022 0.000 1.392 885 N CA -0.535 52.480 53.050 -0.058 0.000 0.864 885 N CB 2.157 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 -1.636 117.719 119.300 0.092 0.000 3.253 886 C HA 0.579 5.039 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 0.883 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 0.685 5.025 4.340 0.000 0.000 0.262 887 Q C -1.046 174.676 176.000 -0.463 0.000 0.980 887 Q CA -0.442 54.804 55.803 -0.927 0.000 0.867 887 Q CB 0.901 28.712 28.738 -1.546 0.000 1.242 887 Q HN 0.747 nan 8.270 nan 0.000 0.453 888 L N 2.612 123.642 121.223 -0.322 0.000 2.375 888 L HA 0.355 4.695 4.340 0.000 0.000 0.271 888 L C 1.184 177.961 176.870 -0.155 0.000 1.107 888 L CA -0.342 54.413 54.840 -0.142 0.000 0.806 888 L CB 0.974 43.045 42.059 0.020 0.000 1.146 888 L HN 0.808 nan 8.230 nan 0.000 0.447 889 A N 2.118 124.872 122.820 -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 -0.318 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 -0.527 119.268 119.800 -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 0.098 55.899 55.803 -0.003 0.000 0.896 890 Q CB 0.964 29.710 28.738 0.013 0.000 1.241 890 Q HN 0.152 nan 8.270 nan 0.000 0.485 891 V N 2.314 122.212 119.914 -0.027 0.000 2.612 891 V HA 0.789 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 -0.143 62.172 62.300 0.026 0.000 0.886 891 V CB 1.153 32.989 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 1.642 20.328 19.000 -0.524 0.000 1.369 892 A HN 0.735 nan 8.150 nan 0.000 0.446 893 E N -0.236 119.987 120.200 0.038 0.000 2.060 893 E HA 0.072 4.422 4.350 0.000 0.000 0.189 893 E C 0.614 177.299 176.600 0.142 0.000 0.974 893 E CA 0.989 57.439 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 -0.533 120.059 120.500 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 -0.900 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 -0.711 175.654 176.094 0.452 0.000 1.054 895 V CA -0.967 61.562 62.300 0.382 0.000 0.882 895 V CB 1.921 33.928 31.823 0.307 0.000 1.002 895 V HN 0.741 nan 8.190 nan 0.000 0.424 896 N N 3.966 122.922 118.700 0.428 0.000 2.295 896 N HA 0.570 5.310 4.740 0.000 0.000 0.293 896 N C -1.454 174.334 175.510 0.463 0.000 1.040 896 N CA -0.396 52.879 53.050 0.374 0.000 0.840 896 N CB 3.026 41.622 38.487 0.182 0.000 1.468 896 N HN 0.832 nan 8.380 nan 0.000 0.478 897 W N 3.009 124.372 121.300 0.104 0.000 3.074 897 W HA 0.611 5.271 4.660 0.000 0.000 0.332 897 W C -2.166 174.362 176.519 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 3.767 125.016 121.223 0.043 0.000 2.324 898 L HA 0.910 5.250 4.340 0.000 0.000 0.274 898 L C -0.050 176.796 176.870 -0.040 0.000 1.012 898 L CA 0.376 55.077 54.840 -0.233 0.000 0.859 898 L CB 0.773 42.742 42.059 -0.149 0.000 1.224 898 L HN 1.026 nan 8.230 nan 0.000 0.429 899 G N 3.663 112.357 108.800 -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 -1.634 173.430 174.900 0.274 0.000 1.221 899 G CA -0.995 44.219 45.100 0.190 0.000 0.912 899 G HN 0.376 nan 8.290 nan 0.000 0.483 900 L N 1.263 122.720 121.223 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 0.672 42.800 42.059 0.114 0.000 1.142 900 L HN 1.038 nan 8.230 nan 0.000 0.443 901 G N 3.151 111.727 108.800 -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 -2.768 171.277 174.900 -1.426 0.000 1.320 901 G CA -0.304 44.157 45.100 -1.065 0.000 0.800 901 G HN 0.321 nan 8.290 nan 0.000 0.481 902 P HA 0.148 nan 4.420 nan 0.000 0.259 902 P C 0.402 177.485 177.300 -0.362 0.000 1.233 902 P CA 0.312 62.791 63.100 -1.034 0.000 0.827 902 P CB 0.781 32.042 31.700 -0.731 0.000 1.154 903 Q N 0.620 120.220 119.800 -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 -0.553 55.128 55.803 -0.204 0.000 0.936 903 Q CB 0.696 29.343 28.738 -0.151 0.000 1.204 903 Q HN 0.108 nan 8.270 nan 0.000 0.524 904 E N 1.321 121.415 120.200 -0.178 0.000 2.608 904 E HA -0.128 4.222 4.350 0.000 0.000 0.259 904 E C -1.179 175.340 176.600 -0.135 0.000 0.951 904 E CA 0.293 56.581 56.400 -0.185 0.000 0.945 904 E CB 0.211 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 2.805 121.345 118.700 -0.266 0.000 2.308 905 N HA 0.317 5.057 4.740 0.000 0.000 0.283 905 N C -1.881 173.389 175.510 -0.399 0.000 1.105 905 N CA -0.685 52.258 53.050 -0.178 0.000 0.840 905 N CB 0.722 39.119 38.487 -0.150 0.000 1.633 905 N HN 0.237 nan 8.380 nan 0.000 0.476 906 Y N 0.078 120.287 120.300 -0.153 0.000 2.598 906 Y HA 0.513 5.063 4.550 0.000 0.000 0.340 906 Y C -1.609 174.221 175.900 -0.116 0.000 1.038 906 Y CA -2.077 55.922 58.100 -0.167 0.000 1.100 906 Y CB 1.719 40.075 38.460 -0.174 0.000 1.281 906 Y HN 0.435 nan 8.280 nan 0.000 0.488 907 P HA -0.187 nan 4.420 nan 0.000 0.216 907 P C 0.413 177.663 177.300 -0.083 0.000 1.154 907 P CA 2.151 65.294 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 -2.146 118.020 120.400 -0.391 0.000 2.358 908 D HA 0.015 4.655 4.640 0.000 0.000 0.224 908 D C 0.567 176.733 176.300 -0.223 0.000 1.123 908 D CA -0.016 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 1.010 121.474 120.500 -0.059 0.000 2.837 909 R HA 0.208 4.548 4.340 0.000 0.000 0.245 909 R C -0.807 175.527 176.300 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 -1.053 120.212 121.223 0.070 0.000 3.635 910 L HA 0.303 4.643 4.340 0.000 0.000 0.338 910 L C 1.175 178.105 176.870 0.101 0.000 1.275 910 L CA 0.061 54.939 54.840 0.063 0.000 1.092 910 L CB 0.185 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 -2.580 112.062 114.554 0.146 0.000 2.915 911 T HA 0.060 4.410 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 1.274 63.488 62.100 0.191 0.000 1.132 911 T CB -0.193 68.826 68.868 0.252 0.000 0.878 911 T HN 0.403 nan 8.240 nan 0.000 0.479 912 A N 1.281 124.197 122.820 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 0.496 52.588 52.037 0.091 0.000 0.708 912 A CB -0.879 18.289 19.000 0.280 0.000 0.805 912 A HN 0.820 nan 8.150 nan 0.000 0.460 916 D N 3.073 122.864 120.400 -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 2.273 42.254 40.800 -1.365 0.000 1.451 916 D HN 0.622 nan 8.370 nan 0.000 0.555 917 R N 0.564 120.199 120.500 -1.442 0.000 2.255 917 R HA 0.466 4.806 4.340 0.000 0.000 0.326 917 R C -1.372 174.097 176.300 -1.384 0.000 0.986 917 R CA -0.433 54.974 56.100 -1.154 0.000 0.847 917 R CB 0.576 30.479 30.300 -0.661 0.000 1.111 917 R HN 0.233 nan 8.270 nan 0.000 0.452 918 W N 2.622 123.358 121.300 -0.939 0.000 2.689 918 W HA 0.425 5.085 4.660 0.000 0.000 0.340 918 W C -0.514 175.620 176.519 -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 -1.796 0.000 1.410 918 W HN 0.313 nan 8.180 nan 0.000 0.528 919 D N 2.613 122.961 120.400 -0.085 0.000 2.736 919 D HA 0.521 5.161 4.640 0.000 0.000 0.243 919 D C -1.285 175.111 176.300 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 2.530 123.917 121.223 0.272 0.000 2.397 920 L HA 0.570 4.910 4.340 0.000 0.000 0.251 920 L C -2.521 174.472 176.870 0.206 0.000 1.064 920 L CA -2.175 52.801 54.840 0.227 0.000 0.859 920 L CB 2.682 44.907 42.059 0.277 0.000 1.468 920 L HN 0.148 nan 8.230 nan 0.000 0.411 921 P HA 0.143 nan 4.420 nan 0.000 0.284 921 P C 0.490 177.874 177.300 0.140 0.000 1.253 921 P CA -0.476 62.704 63.100 0.135 0.000 0.800 921 P CB 1.207 32.965 31.700 0.098 0.000 0.961 922 L N 3.684 124.996 121.223 0.148 0.000 2.064 922 L HA -0.310 4.030 4.340 0.000 0.000 0.216 922 L C 2.223 179.152 176.870 0.098 0.000 1.077 922 L CA 2.825 57.741 54.840 0.126 0.000 0.766 922 L CB -1.516 40.630 42.059 0.146 0.000 0.890 922 L HN 0.455 nan 8.230 nan 0.000 0.435 923 S N -1.524 114.234 115.700 0.097 0.000 2.374 923 S HA -0.224 4.246 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 1.348 59.614 58.200 0.110 0.000 1.024 923 S CB -0.927 62.327 63.200 0.090 0.000 0.861 923 S HN 0.542 nan 8.310 nan 0.000 0.456 924 D N 1.262 121.718 120.400 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 54.670 54.000 0.063 0.000 0.894 924 D CB -0.230 40.610 40.800 0.066 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 0.027 55.321 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 -0.443 119.823 120.300 -0.056 0.000 2.425 926 Y HA 0.476 5.026 4.550 0.000 0.000 0.344 926 Y C -0.854 174.985 175.900 -0.100 0.000 0.969 926 Y CA -0.849 57.224 58.100 -0.044 0.000 1.052 926 Y CB 1.443 39.932 38.460 0.047 0.000 1.215 926 Y HN -0.111 nan 8.280 nan 0.000 0.451 927 T N 8.752 122.801 114.554 -0.842 0.000 2.801 927 T HA 0.273 4.623 4.350 0.000 0.000 0.306 927 T C -2.650 171.225 174.700 -1.374 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 62.299 63.100 -0.700 0.000 0.908 928 P CB -0.837 30.601 31.700 -0.436 0.000 1.893 929 Y N -0.399 119.806 120.300 -0.158 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 57.681 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 4.045 124.165 119.914 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 1.609 64.093 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 3.479 123.481 119.950 0.087 0.000 2.391 931 F HA 0.496 5.023 4.527 0.000 0.000 0.359 931 F C -2.326 173.492 175.800 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 39.853 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 1.695 33.227 31.700 -0.281 0.000 0.955 933 S N -0.235 115.414 115.700 -0.085 0.000 2.683 933 S HA 0.378 4.848 4.470 0.000 0.000 0.269 933 S C -0.838 173.778 174.600 0.028 0.000 1.165 933 S CA -0.913 57.277 58.200 -0.017 0.000 0.840 933 S CB 0.226 63.456 63.200 0.050 0.000 1.169 933 S HN 0.357 nan 8.310 nan 0.000 0.490 934 E N 1.304 121.525 120.200 0.034 0.000 2.652 934 E HA 0.323 4.673 4.350 0.000 0.000 0.255 934 E C -0.085 176.572 176.600 0.096 0.000 0.952 934 E CA 1.092 57.530 56.400 0.064 0.000 0.947 934 E CB -0.494 29.261 29.700 0.092 0.000 0.912 934 E HN 0.788 nan 8.360 nan 0.000 0.489 935 N N 1.589 120.378 118.700 0.148 0.000 3.106 935 N HA 0.523 5.263 4.740 0.000 0.000 0.253 935 N C 0.385 175.960 175.510 0.108 0.000 1.506 935 N CA -0.660 52.519 53.050 0.215 0.000 0.876 935 N CB 0.592 39.206 38.487 0.213 0.000 1.452 935 N HN 0.646 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 -0.108 174.559 174.900 -0.389 0.000 0.975 936 G CA 0.558 45.568 45.100 -0.150 0.000 0.644 936 G HN 0.693 nan 8.290 nan 0.000 0.537 937 L N 1.206 122.136 121.223 -0.488 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 0.528 54.836 54.840 -0.888 0.000 0.857 937 L CB 0.365 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 3.883 123.737 120.500 -1.076 0.000 2.575 938 R HA 0.488 4.828 4.340 0.000 0.000 0.293 938 R C -1.155 174.767 176.300 -0.631 0.000 0.983 938 R CA -0.685 54.898 56.100 -0.862 0.000 0.887 938 R CB 0.775 30.538 30.300 -0.896 0.000 1.184 938 R HN 0.569 nan 8.270 nan 0.000 0.445 939 C N -0.224 118.857 119.300 -0.364 0.000 2.354 939 C HA 0.687 5.147 4.460 0.000 0.000 0.381 939 C C 1.314 176.272 174.990 -0.054 0.000 1.240 939 C CA 0.224 59.118 59.018 -0.208 0.000 2.089 939 C CB 1.099 28.744 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 -0.133 174.821 174.900 0.091 0.000 1.020 940 G CA 0.483 45.612 45.100 0.047 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 1.542 70.250 68.868 -0.267 0.000 0.951 941 T HN 0.343 nan 8.240 nan 0.000 0.460 942 R N 1.158 121.568 120.500 -0.151 0.000 2.279 942 R HA 0.267 4.607 4.340 0.000 0.000 0.195 942 R C 0.438 176.797 176.300 0.099 0.000 0.905 942 R CA 0.144 56.227 56.100 -0.029 0.000 1.044 942 R CB 0.910 31.314 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 -2.023 174.746 176.600 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 31.607 29.700 0.183 0.000 1.225 943 E HN -0.103 nan 8.360 nan 0.000 0.417 944 L N 4.066 125.509 121.223 0.367 0.000 2.410 944 L HA 0.608 4.948 4.340 0.000 0.000 0.270 944 L C -1.924 175.181 176.870 0.391 0.000 0.983 944 L CA -0.414 54.594 54.840 0.279 0.000 0.822 944 L CB 1.876 43.942 42.059 0.011 0.000 1.285 944 L HN 0.433 nan 8.230 nan 0.000 0.409 945 N N 4.262 123.157 118.700 0.325 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 2.025 40.640 38.487 0.214 0.000 1.339 945 N HN 0.619 nan 8.380 nan 0.000 0.487 946 Y N 1.386 121.857 120.300 0.284 0.000 2.323 946 Y HA 0.438 4.988 4.550 0.000 0.000 0.322 946 Y C 0.562 176.602 175.900 0.233 0.000 1.133 946 Y CA 0.178 58.429 58.100 0.253 0.000 1.093 946 Y CB 0.600 39.240 38.460 0.300 0.000 1.203 946 Y HN 0.826 nan 8.280 nan 0.000 0.427 947 G N 6.337 115.048 108.800 -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 -0.101 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 0.458 177.514 177.300 -0.408 0.000 1.191 948 P CA 0.969 63.890 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 0.527 5.083 4.556 0.000 0.000 0.351 949 H C 0.315 175.422 175.328 -0.368 0.000 1.151 949 H CA -0.125 55.760 56.048 -0.272 0.000 1.339 949 H CB 0.829 30.243 29.762 -0.580 0.000 1.483 949 H HN -0.067 nan 8.280 nan 0.000 0.558 950 Q N 2.159 121.705 119.800 -0.422 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 -0.248 0.000 0.831 950 Q CB 1.754 30.483 28.738 -0.015 0.000 1.322 950 Q HN 0.625 nan 8.270 nan 0.000 0.419 951 W N 3.670 124.975 121.300 0.009 0.000 2.819 951 W HA 0.622 5.282 4.660 0.000 0.000 0.337 951 W C -0.559 176.059 176.519 0.164 0.000 1.077 951 W CA -0.800 56.518 57.345 -0.045 0.000 1.226 951 W CB 2.203 31.449 29.460 -0.357 0.000 1.419 951 W HN 0.651 nan 8.180 nan 0.000 0.502 952 R N 0.973 121.731 120.500 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 55.682 56.100 0.446 0.000 0.901 952 R CB 2.298 32.770 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 0.485 121.087 120.400 0.336 0.000 2.330 954 D HA 0.586 5.226 4.640 0.000 0.000 0.249 954 D C -0.893 175.452 176.300 0.074 0.000 1.306 954 D CA -0.263 53.781 54.000 0.075 0.000 0.956 954 D CB 0.679 41.528 40.800 0.082 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 -1.083 174.684 175.800 -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 39.632 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 -1.408 174.679 176.000 0.146 0.000 1.099 956 Q CA -0.543 55.258 55.803 -0.004 0.000 0.814 956 Q CB 2.915 31.522 28.738 -0.219 0.000 1.379 956 Q HN 0.923 nan 8.270 nan 0.000 0.436 957 F N -1.146 118.684 119.950 -0.200 0.000 2.779 957 F HA 0.781 5.308 4.527 0.000 0.000 0.316 957 F C -1.804 173.788 175.800 -0.347 0.000 1.164 957 F CA -1.007 56.842 58.000 -0.252 0.000 0.924 957 F CB 1.520 40.391 39.000 -0.215 0.000 1.348 957 F HN 0.629 nan 8.300 nan 0.000 0.467 958 N N 1.064 119.635 118.700 -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 52.184 53.050 -0.271 0.000 0.812 958 N CB 2.496 40.814 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 61.334 61.300 -0.090 0.000 1.050 959 I CB 1.343 39.230 38.000 -0.187 0.000 1.301 959 I HN 1.089 nan 8.210 nan 0.000 0.425 960 S N 6.420 122.095 115.700 -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 1.600 64.843 63.200 0.073 0.000 1.235 960 S HN 0.635 nan 8.310 nan 0.000 0.512 961 R N 0.032 120.303 120.500 -0.381 0.000 2.466 961 R HA 0.300 4.640 4.340 0.000 0.000 0.279 961 R C -1.070 174.883 176.300 -0.579 0.000 0.976 961 R CA 0.167 55.970 56.100 -0.495 0.000 1.081 961 R CB -0.625 29.226 30.300 -0.748 0.000 1.215 961 R HN 0.627 nan 8.270 nan 0.000 0.546 962 Y N 0.161 120.464 120.300 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 1.499 39.814 38.460 -0.241 0.000 1.199 962 Y HN -0.083 nan 8.280 nan 0.000 0.450 963 S N 1.609 117.003 115.700 -0.510 0.000 2.593 963 S HA 0.065 4.535 4.470 0.000 0.000 0.269 963 S C 0.851 175.148 174.600 -0.506 0.000 1.334 963 S CA -0.657 56.902 58.200 -1.069 0.000 1.015 963 S CB 1.144 63.761 63.200 -0.972 0.000 0.912 963 S HN 0.768 nan 8.310 nan 0.000 0.541 964 Q N 0.574 120.072 119.800 -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 1.642 57.290 55.803 -0.260 0.000 0.850 964 Q CB -0.440 28.181 28.738 -0.195 0.000 0.901 964 Q HN 0.924 nan 8.270 nan 0.000 0.429 965 Q N 0.715 120.373 119.800 -0.236 0.000 2.084 965 Q HA -0.208 4.132 4.340 0.000 0.000 0.202 965 Q C 2.063 177.986 176.000 -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 -0.151 0.000 2.030 966 Q HA -0.177 4.163 4.340 0.000 0.000 0.204 966 Q C 2.359 178.272 176.000 -0.144 0.000 0.986 966 Q CA 1.486 57.216 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 0.083 121.209 121.223 -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 1.336 56.070 54.840 -0.178 0.000 0.749 967 L CB -0.411 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 -0.462 119.058 119.600 -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 -0.767 119.371 120.200 -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 0.155 56.514 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 0.558 115.040 114.554 -0.121 0.000 2.799 970 T HA 0.086 4.436 4.350 0.000 0.000 0.286 970 T C 1.127 175.724 174.700 -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 70.393 68.868 -0.154 0.000 0.932 970 T HN 0.039 nan 8.240 nan 0.000 0.469 971 S N 1.871 117.554 115.700 -0.027 0.000 2.501 971 S HA 0.072 4.542 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 0.250 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 0.382 119.441 119.070 -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 -0.741 55.376 56.048 0.114 0.000 1.178 972 H CB 1.509 31.410 29.762 0.232 0.000 1.718 972 H HN 0.107 nan 8.280 nan 0.000 0.540 973 R N 1.407 122.046 120.500 0.231 0.000 2.117 973 R HA -0.218 4.122 4.340 0.000 0.000 0.243 973 R C 1.403 177.742 176.300 0.064 0.000 1.143 973 R CA 2.127 58.292 56.100 0.109 0.000 0.968 973 R CB -0.629 29.750 30.300 0.131 0.000 0.863 973 R HN 0.785 nan 8.270 nan 0.000 0.444 974 H N 1.593 120.677 119.070 0.023 0.000 2.489 974 H HA -0.020 4.536 4.556 0.000 0.000 0.293 974 H C 1.621 176.882 175.328 -0.111 0.000 1.066 974 H CA 1.154 57.168 56.048 -0.058 0.000 1.305 974 H CB -0.282 29.425 29.762 -0.093 0.000 1.386 974 H HN 0.342 nan 8.280 nan 0.000 0.551 975 L N 0.848 121.678 121.223 -0.654 0.000 2.599 975 L HA 0.192 4.532 4.340 0.000 0.000 0.230 975 L C 0.525 177.304 176.870 -0.152 0.000 1.141 975 L CA -0.077 54.500 54.840 -0.438 0.000 0.877 975 L CB -0.115 41.686 42.059 -0.430 0.000 1.009 975 L HN 0.036 nan 8.230 nan 0.000 0.447 976 L N 0.341 121.468 121.223 -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 54.284 54.840 -0.162 0.000 0.804 976 L CB 0.687 42.457 42.059 -0.481 0.000 1.146 976 L HN 0.124 nan 8.230 nan 0.000 0.451 977 H N 0.589 119.743 119.070 0.140 0.000 2.806 977 H HA 0.640 5.196 4.556 0.000 0.000 0.367 977 H C -0.847 174.584 175.328 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 2.841 125.694 122.820 0.055 0.000 2.531 978 A HA 0.094 4.414 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 -0.069 51.823 52.037 -0.241 0.000 0.760 978 A CB -0.010 18.858 19.000 -0.219 0.000 0.995 978 A HN 0.815 nan 8.150 nan 0.000 0.501 979 E N 0.501 120.625 120.200 -0.127 0.000 2.292 979 E HA 0.131 4.481 4.350 0.000 0.000 0.258 979 E C 0.710 177.298 176.600 -0.019 0.000 1.115 979 E CA -0.698 55.728 56.400 0.044 0.000 0.929 979 E CB 0.658 30.480 29.700 0.204 0.000 1.161 979 E HN 0.826 nan 8.360 nan 0.000 0.453 980 E N 0.276 120.469 120.200 -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 1.764 58.127 56.400 -0.063 0.000 0.818 980 E CB 0.016 29.684 29.700 -0.054 0.000 0.749 980 E HN 0.571 nan 8.360 nan 0.000 0.453 981 G N -1.406 107.275 108.800 -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 0.411 114.851 114.554 -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 -0.245 0.000 0.991 982 T CA -0.121 61.899 62.100 -0.134 0.000 0.966 982 T CB 1.652 70.546 68.868 0.043 0.000 0.962 982 T HN 0.322 nan 8.240 nan 0.000 0.438 983 W N 3.004 124.217 121.300 -0.145 0.000 2.351 983 W HA 0.636 5.296 4.660 0.000 0.000 0.311 983 W C -0.413 175.989 176.519 -0.194 0.000 1.168 983 W CA -0.740 56.517 57.345 -0.146 0.000 1.200 983 W CB 0.915 30.299 29.460 -0.126 0.000 1.221 983 W HN 0.338 nan 8.180 nan 0.000 0.519 984 L N 5.496 126.783 121.223 0.106 0.000 2.381 984 L HA 0.485 4.825 4.340 0.000 0.000 0.274 984 L C -1.069 175.735 176.870 -0.110 0.000 0.988 984 L CA -0.532 54.238 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 6.912 125.529 118.700 -0.139 0.000 2.443 985 N HA 0.497 5.237 4.740 0.000 0.000 0.269 985 N C -1.214 174.181 175.510 -0.193 0.000 0.985 985 N CA -0.294 52.664 53.050 -0.154 0.000 0.921 985 N CB 2.310 40.726 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 -0.657 175.297 176.117 -0.271 0.000 1.007 986 I CA -0.615 60.500 61.300 -0.309 0.000 1.142 986 I CB 1.604 39.284 38.000 -0.533 0.000 1.289 986 I HN 0.140 nan 8.210 nan 0.000 0.453 987 D N 4.601 124.872 120.400 -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 -0.901 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 0.063 174.102 174.900 -1.434 0.000 1.146 988 G CA 0.488 44.774 45.100 -1.357 0.000 0.793 988 G HN 0.385 nan 8.290 nan 0.000 0.537 989 F N -1.808 117.935 119.950 -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 56.665 58.000 -0.200 0.000 0.957 989 F CB 1.977 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 2.544 121.632 119.070 0.029 0.000 2.954 990 H HA 0.388 4.944 4.556 0.000 0.000 0.361 990 H C -1.124 174.228 175.328 0.041 0.000 1.122 990 H CA -0.746 55.289 56.048 -0.022 0.000 1.217 990 H CB 2.394 32.123 29.762 -0.056 0.000 1.776 990 H HN 0.864 nan 8.280 nan 0.000 0.533 991 M N 2.766 122.328 119.600 -0.062 0.000 2.250 991 M HA 0.249 4.729 4.480 0.000 0.000 0.325 991 M C 0.554 176.975 176.300 0.201 0.000 1.084 991 M CA 0.480 55.807 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 2.900 111.792 108.800 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 0.549 175.428 174.900 -0.036 0.000 1.219 992 G CA -0.286 44.832 45.100 0.030 0.000 0.901 992 G HN 0.993 nan 8.290 nan 0.000 0.548 993 I N -2.468 118.029 120.570 -0.122 0.000 3.939 993 I HA 0.443 4.613 4.170 0.000 0.000 0.313 993 I C 1.136 177.182 176.117 -0.119 0.000 1.274 993 I CA 0.504 61.705 61.300 -0.165 0.000 1.301 993 I CB -0.361 37.451 38.000 -0.312 0.000 1.105 993 I HN 0.963 nan 8.210 nan 0.000 0.427 994 G N 1.670 110.416 108.800 -0.090 0.000 2.645 994 G HA2 0.038 3.998 3.960 0.000 0.000 0.239 994 G HA3 0.038 3.998 3.960 0.000 0.000 0.239 994 G C 0.570 175.457 174.900 -0.022 0.000 1.331 994 G CA 0.123 45.207 45.100 -0.026 0.000 0.890 994 G HN 1.411 nan 8.290 nan 0.000 0.572 995 G N -2.288 106.511 108.800 -0.001 0.000 2.559 995 G HA2 0.045 4.005 3.960 0.000 0.000 0.202 995 G HA3 0.045 4.005 3.960 0.000 0.000 0.202 995 G C 0.586 175.515 174.900 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 1.224 121.666 120.400 0.070 0.000 2.228 996 D HA 0.132 4.772 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 56.206 54.000 0.160 0.000 0.864 996 D CB 0.129 41.039 40.800 0.184 0.000 0.928 996 D HN 0.846 nan 8.370 nan 0.000 0.469 997 D N -3.802 116.379 120.400 -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 40.440 40.800 -1.869 0.000 1.311 997 D HN -0.293 nan 8.370 nan 0.000 0.420 998 S N -0.144 114.764 115.700 -1.320 0.000 2.588 998 S HA 0.255 4.725 4.470 0.000 0.000 0.245 998 S C -0.624 174.040 174.600 0.106 0.000 1.021 998 S CA -0.716 57.341 58.200 -0.240 0.000 1.006 998 S CB -0.617 62.751 63.200 0.281 0.000 0.830 998 S HN 0.597 nan 8.310 nan 0.000 0.468 999 W N 1.118 122.350 121.300 -0.113 0.000 1.832 999 W HA 0.598 5.258 4.660 0.000 0.000 0.297 999 W C -0.060 176.398 176.519 -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 28.769 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 0.582 5.052 4.470 0.000 0.000 0.270 1000 S C -3.255 171.274 174.600 -0.117 0.000 1.145 1000 S CA -1.478 56.642 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 -0.109 62.998 63.100 0.010 0.000 0.768 1001 P CB 0.701 32.300 31.700 -0.168 0.000 0.820 1002 S N 1.064 116.825 115.700 0.102 0.000 2.819 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 1.030 1002 S CA -0.350 57.887 58.200 0.061 0.000 1.052 1002 S CB -0.260 62.920 63.200 -0.034 0.000 1.017 1002 S HN 0.099 nan 8.310 nan 0.000 0.576 1003 V N 4.146 124.178 119.914 0.197 0.000 2.385 1003 V HA 0.457 4.577 4.120 0.000 0.000 0.269 1003 V C 0.790 177.042 176.094 0.264 0.000 1.043 1003 V CA -0.394 62.024 62.300 0.197 0.000 0.906 1003 V CB 0.764 32.669 31.823 0.137 0.000 0.995 1003 V HN 0.676 nan 8.190 nan 0.000 0.467 1004 S N 4.673 120.558 115.700 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 1.399 64.740 63.200 0.235 0.000 0.887 1004 S HN 1.063 nan 8.310 nan 0.000 0.516 1005 A N 2.155 125.070 122.820 0.158 0.000 1.958 1005 A HA -0.189 4.131 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 1.970 54.077 52.037 0.117 0.000 0.642 1005 A CB -1.170 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 -1.213 118.899 120.200 -0.147 0.000 2.409 1006 E HA -0.085 4.265 4.350 0.000 0.000 0.198 1006 E C 0.775 176.996 176.600 -0.632 0.000 1.024 1006 E CA 0.989 57.132 56.400 -0.428 0.000 0.861 1006 E CB -0.311 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 0.867 120.869 119.950 0.087 0.000 2.678 1007 F HA 0.199 4.726 4.527 0.000 0.000 0.305 1007 F C 0.666 176.508 175.800 0.071 0.000 1.090 1007 F CA -0.453 57.598 58.000 0.084 0.000 1.272 1007 F CB 0.371 39.419 39.000 0.080 0.000 1.060 1007 F HN -0.160 nan 8.300 nan 0.000 0.576 1008 Q N 1.190 121.111 119.800 0.200 0.000 2.227 1008 Q HA 0.408 4.748 4.340 0.000 0.000 0.245 1008 Q C -0.224 175.820 176.000 0.073 0.000 0.926 1008 Q CA -0.540 55.367 55.803 0.172 0.000 0.895 1008 Q CB 1.829 30.767 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 0.610 177.380 176.870 -0.166 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 -0.211 0.000 1.383 1009 L HN 0.732 nan 8.230 nan 0.000 0.411 1010 S N -1.068 114.494 115.700 -0.230 0.000 2.539 1010 S HA 0.116 4.586 4.470 0.000 0.000 0.221 1010 S C 1.789 176.293 174.600 -0.161 0.000 0.987 1010 S CA 0.219 58.112 58.200 -0.511 0.000 0.929 1010 S CB 0.683 63.637 63.200 -0.410 0.000 0.832 1010 S HN 0.513 nan 8.310 nan 0.000 0.492 1011 A N 1.851 124.623 122.820 -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 1.629 53.488 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 0.455 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 -0.655 119.654 120.500 -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 0.315 120.611 120.300 -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 57.192 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 0.501 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 -0.980 55.328 56.048 0.434 0.000 1.201 1015 H CB 1.320 31.227 29.762 0.242 0.000 1.681 1015 H HN 0.597 nan 8.280 nan 0.000 0.534 1016 Y N 1.279 121.279 120.300 -0.498 0.000 2.656 1016 Y HA 0.526 5.076 4.550 0.000 0.000 0.334 1016 Y C -2.009 173.684 175.900 -0.346 0.000 1.179 1016 Y CA -1.097 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 2.771 122.545 119.800 -0.043 0.000 2.416 1017 Q HA 0.806 5.146 4.340 0.000 0.000 0.281 1017 Q C -1.929 174.138 176.000 0.111 0.000 1.067 1017 Q CA -1.124 54.655 55.803 -0.039 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 0.825 122.095 121.223 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 2.810 44.925 42.059 0.094 0.000 1.397 1018 L HN 0.475 nan 8.230 nan 0.000 0.410 1019 V N 1.426 121.479 119.914 0.233 0.000 2.531 1019 V HA 0.483 4.603 4.120 0.000 0.000 0.301 1019 V C -1.039 175.251 176.094 0.326 0.000 1.034 1019 V CA -0.452 62.003 62.300 0.257 0.000 0.865 1019 V CB 2.135 34.081 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 -0.105 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