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 1jz1_1_K DATA FIRST_RESID 3 DATA SEQUENCE ITDSLAVVLQ RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR DATA SEQUENCE SLNGEWRFAW FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN DATA SEQUENCE VTYPITVNPP FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL DATA SEQUENCE WCNGRWVGYG QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM DATA SEQUENCE WRMSGIFRDV SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD DATA SEQUENCE YLRVTVSLWQ GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS DATA SEQUENCE AEIPNLYRAV VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR DATA SEQUENCE GVNRHEHHPL HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DATA SEQUENCE DRYGLYVVDE ANIETHGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS DATA SEQUENCE VIIWSLGNES GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM DATA SEQUENCE YARVDEDQPF PAVPKWSIKK WLSLPGETRP LILCEYAHAM GNSLGGFAKY DATA SEQUENCE WQAFRQYPRL QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC DATA SEQUENCE MNGLVFADRT PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL DATA SEQUENCE HWMVALDGKP LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ DATA SEQUENCE PNATAWSEAG HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFXIELG DATA SEQUENCE NKRWQFNRQS GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID DATA SEQUENCE PNAWVERWKA AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS DATA SEQUENCE RKTYRIDGSG QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP DATA SEQUENCE QENYPDRLTA AXFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR DATA SEQUENCE GDFQFNISRY SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS DATA SEQUENCE VSAEFQLSAG RYHYQLVWXQ K VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 I HA 0.000 nan 4.170 nan 0.000 0.288 3 I C 0.000 176.143 176.117 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 -1.956 112.630 114.554 0.053 0.000 3.100 4 T HA 0.205 4.555 4.350 -0.000 0.000 0.253 4 T C 0.791 175.529 174.700 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 0.978 177.476 176.300 0.330 0.000 1.039 5 D CA 0.123 54.325 54.000 0.337 0.000 0.866 5 D CB -0.001 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 0.311 116.094 115.700 0.139 0.000 2.549 6 S HA 0.046 4.516 4.470 -0.000 0.000 0.283 6 S C 1.374 176.021 174.600 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 4.144 125.398 121.223 0.051 0.000 1.997 7 L HA -0.128 4.212 4.340 -0.000 0.000 0.216 7 L C 3.017 179.905 176.870 0.030 0.000 1.074 7 L CA 2.601 57.478 54.840 0.061 0.000 0.763 7 L CB -1.792 40.261 42.059 -0.009 0.000 0.890 7 L HN 1.000 nan 8.230 nan 0.000 0.434 8 A N -1.379 121.447 122.820 0.010 0.000 1.940 8 A HA -0.237 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 2.434 54.474 52.037 0.005 0.000 0.647 8 A CB -1.063 17.936 19.000 -0.001 0.000 0.821 8 A HN 0.263 nan 8.150 nan 0.000 0.457 9 V N -0.912 118.989 119.914 -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 1.721 63.986 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 0.685 120.500 119.914 -0.165 0.000 2.231 10 V HA -0.306 3.814 4.120 -0.000 0.000 0.250 10 V C 2.187 178.168 176.094 -0.188 0.000 1.058 10 V CA 2.342 64.434 62.300 -0.347 0.000 1.022 10 V CB -0.757 30.800 31.823 -0.443 0.000 0.640 10 V HN 0.494 nan 8.190 nan 0.000 0.445 11 L N 0.353 121.569 121.223 -0.011 0.000 2.633 11 L HA -0.123 4.216 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 0.814 55.789 54.840 0.226 0.000 0.859 11 L CB -0.799 41.431 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 2.311 178.252 176.000 -0.098 0.000 0.974 12 Q CA 1.492 57.275 55.803 -0.035 0.000 0.840 12 Q CB -0.044 28.661 28.738 -0.054 0.000 0.898 12 Q HN 0.223 nan 8.270 nan 0.000 0.430 13 R N 0.372 120.790 120.500 -0.136 0.000 2.105 13 R HA -0.007 4.333 4.340 -0.000 0.000 0.239 13 R C 0.340 176.444 176.300 -0.327 0.000 1.135 13 R CA 1.160 57.145 56.100 -0.193 0.000 0.967 13 R CB -0.266 29.920 30.300 -0.190 0.000 0.861 13 R HN 0.356 nan 8.270 nan 0.000 0.442 14 R N 0.747 120.941 120.500 -0.511 0.000 3.261 14 R HA -0.126 4.214 4.340 -0.000 0.000 0.257 14 R C -0.051 175.694 176.300 -0.925 0.000 1.014 14 R CA 0.412 55.734 56.100 -1.296 0.000 0.681 14 R CB -1.206 28.543 30.300 -0.919 0.000 1.155 14 R HN 0.335 nan 8.270 nan 0.000 0.424 15 D N -0.277 119.803 120.400 -0.534 0.000 2.182 15 D HA -0.191 4.449 4.640 -0.000 0.000 0.201 15 D C 1.606 177.850 176.300 -0.093 0.000 0.986 15 D CA 1.841 55.629 54.000 -0.353 0.000 0.847 15 D CB -0.153 40.231 40.800 -0.693 0.000 0.942 15 D HN 0.731 nan 8.370 nan 0.000 0.467 16 W N 1.595 122.934 121.300 0.064 0.000 3.204 16 W HA 0.134 4.794 4.660 -0.000 0.000 0.249 16 W C 0.457 177.091 176.519 0.190 0.000 1.322 16 W CA -0.115 57.367 57.345 0.229 0.000 1.593 16 W CB -0.245 29.379 29.460 0.275 0.000 1.122 16 W HN -0.166 nan 8.180 nan 0.000 0.710 17 E N 0.942 120.971 120.200 -0.284 0.000 2.995 17 E HA 0.058 4.408 4.350 -0.000 0.000 0.203 17 E C -0.773 175.719 176.600 -0.180 0.000 0.980 17 E CA -0.224 56.091 56.400 -0.141 0.000 1.172 17 E CB -0.178 29.474 29.700 -0.079 0.000 1.088 17 E HN 0.094 nan 8.360 nan 0.000 0.463 18 N N 1.226 119.840 118.700 -0.145 0.000 2.594 18 N HA 0.136 4.876 4.740 -0.000 0.000 0.280 18 N C -2.242 173.150 175.510 -0.197 0.000 1.156 18 N CA -1.951 50.979 53.050 -0.200 0.000 0.831 18 N CB 1.479 39.852 38.487 -0.190 0.000 1.379 18 N HN -0.234 nan 8.380 nan 0.000 0.536 19 P HA -0.047 nan 4.420 nan 0.000 0.220 19 P C 1.174 178.246 177.300 -0.380 0.000 1.144 19 P CA 1.058 63.833 63.100 -0.542 0.000 0.800 19 P CB 0.132 31.065 31.700 -1.278 0.000 0.772 20 G N -0.598 108.017 108.800 -0.309 0.000 2.484 20 G HA2 0.002 3.962 3.960 -0.000 0.000 0.218 20 G HA3 0.002 3.962 3.960 -0.000 0.000 0.218 20 G C 0.353 175.182 174.900 -0.118 0.000 1.130 20 G CA 0.207 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 1.221 121.087 119.914 -0.080 0.000 2.350 21 V HA 0.401 4.521 4.120 -0.000 0.000 0.285 21 V C 0.854 177.016 176.094 0.114 0.000 1.014 21 V CA 0.182 62.491 62.300 0.014 0.000 0.831 21 V CB 1.311 33.138 31.823 0.006 0.000 1.000 21 V HN 0.298 nan 8.190 nan 0.000 0.433 22 T N 0.754 115.363 114.554 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 0.235 62.383 62.100 0.080 0.000 0.917 22 T CB 0.401 69.275 68.868 0.009 0.000 1.084 22 T HN 0.704 nan 8.240 nan 0.000 0.522 23 Q N 0.394 120.267 119.800 0.121 0.000 2.687 23 Q HA 0.703 5.043 4.340 -0.000 0.000 0.295 23 Q C -2.251 173.878 176.000 0.214 0.000 0.920 23 Q CA -1.064 54.799 55.803 0.100 0.000 0.766 23 Q CB 0.982 29.702 28.738 -0.030 0.000 1.467 23 Q HN 0.239 nan 8.270 nan 0.000 0.415 24 L N 1.727 123.099 121.223 0.247 0.000 2.528 24 L HA 0.560 4.900 4.340 -0.000 0.000 0.267 24 L C -0.747 176.266 176.870 0.239 0.000 0.961 24 L CA -0.843 54.160 54.840 0.270 0.000 0.866 24 L CB 1.922 44.245 42.059 0.440 0.000 1.248 24 L HN 0.858 nan 8.230 nan 0.000 0.404 25 N N 0.891 119.690 118.700 0.165 0.000 2.741 25 N HA -0.219 4.521 4.740 -0.000 0.000 0.251 25 N C 0.179 175.767 175.510 0.131 0.000 1.112 25 N CA 0.816 53.962 53.050 0.160 0.000 0.750 25 N CB -0.768 37.808 38.487 0.148 0.000 1.119 25 N HN 0.693 nan 8.380 nan 0.000 0.561 26 R N 1.158 121.609 120.500 -0.082 0.000 2.390 26 R HA 0.401 4.741 4.340 -0.000 0.000 0.291 26 R C 0.773 176.901 176.300 -0.286 0.000 1.070 26 R CA -0.443 55.339 56.100 -0.529 0.000 1.014 26 R CB 0.612 30.602 30.300 -0.516 0.000 1.007 26 R HN 0.110 nan 8.270 nan 0.000 0.466 27 L N 2.570 123.611 121.223 -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 42.264 42.059 -0.039 0.000 1.150 27 L HN 0.739 nan 8.230 nan 0.000 0.514 28 A N 0.239 123.066 122.820 0.010 0.000 2.322 28 A HA 0.615 4.935 4.320 -0.000 0.000 0.269 28 A C 0.105 177.752 177.584 0.105 0.000 1.094 28 A CA -0.175 51.886 52.037 0.039 0.000 0.807 28 A CB 0.547 19.587 19.000 0.067 0.000 1.047 28 A HN 0.758 nan 8.150 nan 0.000 0.487 29 A N 0.823 123.659 122.820 0.027 0.000 2.332 29 A HA 0.692 5.012 4.320 -0.000 0.000 0.258 29 A C 0.065 177.644 177.584 -0.008 0.000 1.087 29 A CA 0.566 52.560 52.037 -0.071 0.000 0.802 29 A CB -0.112 18.817 19.000 -0.117 0.000 1.042 29 A HN 2.036 nan 8.150 nan 0.000 0.489 30 H N -2.456 116.528 119.070 -0.143 0.000 2.921 30 H HA 0.545 5.101 4.556 -0.000 0.000 0.287 30 H C -3.418 171.683 175.328 -0.378 0.000 1.434 30 H CA -1.509 54.409 56.048 -0.216 0.000 1.178 30 H CB 0.065 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 -1.526 61.347 63.100 -0.380 0.000 0.791 31 P CB -0.406 31.057 31.700 -0.395 0.000 0.978 32 P HA 0.072 nan 4.420 nan 0.000 0.261 32 P C -0.768 176.539 177.300 0.013 0.000 1.183 32 P CA 1.007 64.015 63.100 -0.153 0.000 0.761 32 P CB -0.182 31.514 31.700 -0.006 0.000 0.785 33 F N 1.237 121.318 119.950 0.217 0.000 2.538 33 F HA 0.597 5.124 4.527 -0.000 0.000 0.325 33 F C 1.139 176.918 175.800 -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 0.253 123.092 122.820 0.032 0.000 2.140 34 A HA 0.274 4.594 4.320 -0.000 0.000 0.199 34 A C 0.879 178.250 177.584 -0.355 0.000 1.416 34 A CA 0.611 52.402 52.037 -0.410 0.000 1.018 34 A CB -0.065 18.118 19.000 -1.363 0.000 1.117 34 A HN 0.820 nan 8.150 nan 0.000 0.480 35 S N -0.593 115.010 115.700 -0.161 0.000 3.748 35 S HA -0.131 4.339 4.470 -0.000 0.000 0.329 35 S C 0.018 174.597 174.600 -0.036 0.000 1.104 35 S CA 0.388 58.523 58.200 -0.110 0.000 0.954 35 S CB -1.848 61.253 63.200 -0.164 0.000 0.910 35 S HN 0.504 nan 8.310 nan 0.000 0.494 36 W N 1.120 122.424 121.300 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 1.221 121.890 120.500 0.282 0.000 2.535 37 R HA 0.084 4.424 4.340 -0.000 0.000 0.323 37 R C 0.035 176.418 176.300 0.139 0.000 0.979 37 R CA -0.086 56.111 56.100 0.161 0.000 1.120 37 R CB 0.359 30.723 30.300 0.107 0.000 1.306 37 R HN 0.407 nan 8.270 nan 0.000 0.540 38 N N 0.899 119.701 118.700 0.170 0.000 2.454 38 N HA -0.011 4.729 4.740 -0.000 0.000 0.291 38 N C 0.584 176.081 175.510 -0.020 0.000 1.079 38 N CA 0.168 53.263 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 3.251 118.919 115.700 -0.055 0.000 2.369 39 S HA -0.218 4.252 4.470 -0.000 0.000 0.225 39 S C 1.297 175.748 174.600 -0.249 0.000 1.043 39 S CA 1.340 59.462 58.200 -0.131 0.000 1.074 39 S CB -0.331 62.825 63.200 -0.073 0.000 0.962 39 S HN 0.666 nan 8.310 nan 0.000 0.433 40 E N 1.248 121.330 120.200 -0.196 0.000 2.086 40 E HA -0.177 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 1.683 57.937 56.400 -0.243 0.000 0.812 40 E CB -0.620 28.987 29.700 -0.155 0.000 0.743 40 E HN 0.778 nan 8.360 nan 0.000 0.453 41 E N 0.214 120.274 120.200 -0.233 0.000 2.038 41 E HA -0.194 4.156 4.350 -0.000 0.000 0.195 41 E C 2.055 178.235 176.600 -0.700 0.000 1.000 41 E CA 1.168 57.440 56.400 -0.213 0.000 0.803 41 E CB -0.157 29.603 29.700 0.099 0.000 0.750 41 E HN 0.232 nan 8.360 nan 0.000 0.448 42 A N 1.580 123.586 122.820 -1.357 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 -1.067 0.000 1.186 42 A CA 1.804 52.489 52.037 -2.253 0.000 0.620 42 A CB -0.582 17.532 19.000 -1.477 0.000 0.822 42 A HN 0.137 nan 8.150 nan 0.000 0.443 43 R N -0.109 119.989 120.500 -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 2.071 57.864 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 0.593 nan 8.270 nan 0.000 0.447 44 T N -2.783 111.561 114.554 -0.350 0.000 3.134 44 T HA 0.122 4.472 4.350 -0.000 0.000 0.260 44 T C -0.005 174.637 174.700 -0.096 0.000 1.027 44 T CA 0.121 62.102 62.100 -0.198 0.000 0.913 44 T CB 0.265 69.041 68.868 -0.154 0.000 1.046 44 T HN 0.272 nan 8.240 nan 0.000 0.553 45 D N 1.478 121.798 120.400 -0.132 0.000 2.723 45 D HA -0.152 4.488 4.640 -0.000 0.000 0.236 45 D C 0.339 176.790 176.300 0.251 0.000 1.138 45 D CA 0.395 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 0.275 0.000 2.745 46 R HA 0.559 4.899 4.340 -0.000 0.000 0.251 46 R C -2.083 174.484 176.300 0.445 0.000 1.257 46 R CA -0.940 55.345 56.100 0.308 0.000 1.102 46 R CB -0.375 30.059 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 -0.985 176.359 177.300 0.074 0.000 1.337 47 P CA -0.420 62.772 63.100 0.155 0.000 0.889 47 P CB 1.681 33.442 31.700 0.102 0.000 1.050 48 S N 1.842 117.444 115.700 -0.163 0.000 2.508 48 S HA 0.133 4.603 4.470 -0.000 0.000 0.284 48 S C 1.049 175.610 174.600 -0.064 0.000 1.192 48 S CA -0.454 57.597 58.200 -0.249 0.000 1.070 48 S CB 0.592 63.357 63.200 -0.726 0.000 1.004 48 S HN 0.320 nan 8.310 nan 0.000 0.493 49 Q N 2.349 122.166 119.800 0.029 0.000 2.369 49 Q HA -0.053 4.287 4.340 -0.000 0.000 0.206 49 Q C 0.927 177.071 176.000 0.240 0.000 0.963 49 Q CA 0.523 56.402 55.803 0.128 0.000 0.894 49 Q CB -0.163 28.663 28.738 0.146 0.000 0.965 49 Q HN 0.783 nan 8.270 nan 0.000 0.475 50 Q N 0.529 120.398 119.800 0.116 0.000 2.444 50 Q HA 0.116 4.456 4.340 -0.000 0.000 0.206 50 Q C 0.150 176.201 176.000 0.085 0.000 0.948 50 Q CA 0.225 56.075 55.803 0.078 0.000 0.946 50 Q CB -0.055 28.625 28.738 -0.096 0.000 1.027 50 Q HN 0.167 nan 8.270 nan 0.000 0.513 51 L N 1.003 122.296 121.223 0.115 0.000 2.343 51 L HA 0.482 4.822 4.340 -0.000 0.000 0.278 51 L C -1.172 175.782 176.870 0.140 0.000 0.996 51 L CA -0.391 54.505 54.840 0.093 0.000 0.831 51 L CB 1.535 43.568 42.059 -0.042 0.000 1.232 51 L HN -0.111 nan 8.230 nan 0.000 0.413 52 R N 2.727 123.332 120.500 0.175 0.000 2.575 52 R HA 0.470 4.810 4.340 -0.000 0.000 0.293 52 R C -1.046 175.287 176.300 0.055 0.000 0.983 52 R CA -0.544 55.625 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 3.146 118.867 115.700 0.034 0.000 2.562 53 S HA 0.308 4.778 4.470 -0.000 0.000 0.275 53 S C 0.858 175.471 174.600 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 3.489 124.735 121.223 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 41.589 42.059 0.062 0.000 1.328 54 L HN 0.521 nan 8.230 nan 0.000 0.540 55 N N 1.693 120.510 118.700 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 53.920 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 -1.377 173.777 174.900 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 -0.413 119.979 120.200 0.319 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 0.038 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 1.398 122.772 121.300 0.125 0.000 3.038 58 W HA 0.408 5.068 4.660 -0.000 0.000 0.347 58 W C -0.571 176.049 176.519 0.169 0.000 1.219 58 W CA -0.688 56.759 57.345 0.171 0.000 1.142 58 W CB 1.005 30.615 29.460 0.249 0.000 1.484 58 W HN 0.273 nan 8.180 nan 0.000 0.586 59 R N 1.605 122.363 120.500 0.430 0.000 2.460 59 R HA 0.643 4.983 4.340 -0.000 0.000 0.303 59 R C -1.519 174.971 176.300 0.317 0.000 0.968 59 R CA -0.834 55.448 56.100 0.304 0.000 0.889 59 R CB 1.991 32.411 30.300 0.201 0.000 1.123 59 R HN 0.369 nan 8.270 nan 0.000 0.455 60 F N 1.123 121.072 119.950 -0.002 0.000 2.563 60 F HA 0.698 5.225 4.527 -0.000 0.000 0.316 60 F C -1.387 174.263 175.800 -0.250 0.000 1.076 60 F CA -0.683 57.172 58.000 -0.240 0.000 0.921 60 F CB 2.089 40.803 39.000 -0.477 0.000 1.209 60 F HN 0.657 nan 8.300 nan 0.000 0.462 61 A N 4.471 126.335 122.820 -1.594 0.000 2.517 61 A HA 0.522 4.842 4.320 -0.000 0.000 0.297 61 A C -2.421 174.282 177.584 -1.468 0.000 1.050 61 A CA -0.519 50.784 52.037 -1.224 0.000 0.694 61 A CB 0.525 19.219 19.000 -0.510 0.000 1.277 61 A HN 0.968 nan 8.150 nan 0.000 0.400 62 W N 2.652 123.175 121.300 -1.295 0.000 2.551 62 W HA 0.779 5.439 4.660 -0.000 0.000 0.330 62 W C -1.901 174.141 176.519 -0.795 0.000 1.063 62 W CA -0.438 56.366 57.345 -0.903 0.000 1.222 62 W CB 1.203 30.319 29.460 -0.574 0.000 1.349 62 W HN 0.494 nan 8.180 nan 0.000 0.536 63 F N 5.796 125.101 119.950 -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 -2.672 54.814 58.000 -0.858 0.000 0.923 63 F CB 1.477 40.155 39.000 -0.537 0.000 1.230 63 F HN 0.193 nan 8.300 nan 0.000 0.450 64 P HA 0.027 nan 4.420 nan 0.000 0.225 64 P C -0.185 177.014 177.300 -0.167 0.000 1.148 64 P CA 1.116 64.033 63.100 -0.304 0.000 0.779 64 P CB 0.547 32.316 31.700 0.115 0.000 0.780 65 A N -1.238 121.485 122.820 -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 0.489 19.488 19.000 -0.001 0.000 1.278 65 A HN -0.290 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 -0.186 0.000 1.153 66 P CA 1.773 64.724 63.100 -0.248 0.000 0.853 66 P CB 0.199 31.724 31.700 -0.291 0.000 0.788 67 E N 0.711 120.867 120.200 -0.073 0.000 2.070 67 E HA -0.166 4.184 4.350 -0.000 0.000 0.197 67 E C 2.270 178.829 176.600 -0.069 0.000 1.004 67 E CA 1.758 58.140 56.400 -0.031 0.000 0.805 67 E CB -1.284 28.433 29.700 0.030 0.000 0.744 67 E HN 0.184 nan 8.360 nan 0.000 0.451 68 A N 1.112 123.898 122.820 -0.057 0.000 2.139 68 A HA -0.098 4.222 4.320 -0.000 0.000 0.221 68 A C 0.994 178.465 177.584 -0.188 0.000 1.159 68 A CA 0.559 52.593 52.037 -0.006 0.000 0.662 68 A CB -0.598 18.494 19.000 0.153 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 -2.069 173.844 176.094 -0.302 0.000 1.044 69 V CA -1.198 60.653 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 0.390 177.681 177.300 -0.016 0.000 1.306 70 P CA -0.547 62.523 63.100 -0.050 0.000 0.818 70 P CB 1.642 33.358 31.700 0.027 0.000 0.969 71 E N 1.872 122.054 120.200 -0.029 0.000 2.169 71 E HA -0.232 4.118 4.350 -0.000 0.000 0.202 71 E C 1.633 178.201 176.600 -0.053 0.000 1.016 71 E CA 2.416 58.788 56.400 -0.047 0.000 0.817 71 E CB -0.273 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 -0.232 115.460 115.700 -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 1.046 59.236 58.200 -0.016 0.000 0.993 72 S CB -0.734 62.481 63.200 0.024 0.000 0.808 72 S HN 0.545 nan 8.310 nan 0.000 0.478 73 W N 2.731 123.942 121.300 -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 -0.667 28.663 29.460 -0.216 0.000 1.142 73 W HN 0.252 nan 8.180 nan 0.000 0.521 74 L N 0.045 120.960 121.223 -0.513 0.000 2.083 74 L HA -0.214 4.126 4.340 -0.000 0.000 0.209 74 L C 2.620 179.206 176.870 -0.474 0.000 1.083 74 L CA 1.522 55.940 54.840 -0.704 0.000 0.752 74 L CB -0.749 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 -1.095 118.927 120.200 -0.296 0.000 2.057 75 E HA 0.053 4.403 4.350 -0.000 0.000 0.190 75 E C 0.346 176.853 176.600 -0.155 0.000 0.969 75 E CA 0.511 56.803 56.400 -0.181 0.000 0.812 75 E CB 0.112 29.746 29.700 -0.111 0.000 0.777 75 E HN 0.336 nan 8.360 nan 0.000 0.455 76 C N 1.547 120.772 119.300 -0.125 0.000 2.712 76 C HA 0.371 4.831 4.460 -0.000 0.000 0.308 76 C C -0.077 174.906 174.990 -0.012 0.000 1.201 76 C CA -1.328 57.652 59.018 -0.063 0.000 1.554 76 C CB 1.681 29.408 27.740 -0.022 0.000 2.117 76 C HN 0.232 nan 8.230 nan 0.000 0.480 77 D N 1.195 121.608 120.400 0.021 0.000 2.378 77 D HA 0.237 4.877 4.640 -0.000 0.000 0.238 77 D C -0.048 176.329 176.300 0.129 0.000 1.180 77 D CA 0.421 54.486 54.000 0.108 0.000 0.895 77 D CB 0.607 41.459 40.800 0.086 0.000 1.192 77 D HN 0.342 nan 8.370 nan 0.000 0.438 78 L N 2.232 123.556 121.223 0.168 0.000 2.439 78 L HA 0.203 4.543 4.340 -0.000 0.000 0.259 78 L C -1.107 175.802 176.870 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 1.058 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 0.038 120.241 120.200 0.005 0.000 2.485 80 E HA 0.274 4.624 4.350 -0.000 0.000 0.194 80 E C 0.709 177.293 176.600 -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 0.206 4.526 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 51.610 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 -0.098 53.977 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 0.874 115.498 114.554 0.118 0.000 2.799 83 T HA 0.473 4.823 4.350 -0.000 0.000 0.286 83 T C -0.125 174.644 174.700 0.114 0.000 0.973 83 T CA -0.389 61.788 62.100 0.127 0.000 1.035 83 T CB 1.052 69.978 68.868 0.096 0.000 0.932 83 T HN 0.059 nan 8.240 nan 0.000 0.469 84 V N 3.249 123.258 119.914 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 2.441 34.314 31.823 0.084 0.000 1.045 84 V HN 0.639 nan 8.190 nan 0.000 0.432 85 V N 2.387 122.365 119.914 0.107 0.000 2.509 85 V HA 0.523 4.643 4.120 -0.000 0.000 0.284 85 V C -0.203 175.941 176.094 0.085 0.000 1.047 85 V CA -0.378 61.995 62.300 0.122 0.000 0.952 85 V CB 1.552 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 7.045 126.954 119.914 -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 -1.569 60.605 62.300 -0.210 0.000 0.873 86 V CB 2.656 34.025 31.823 -0.758 0.000 0.992 86 V HN 0.797 nan 8.190 nan 0.000 0.428 87 P HA 0.657 nan 4.420 nan 0.000 0.281 87 P C -0.990 176.267 177.300 -0.072 0.000 1.264 87 P CA -0.373 62.635 63.100 -0.154 0.000 0.824 87 P CB 1.848 33.458 31.700 -0.150 0.000 1.092 88 S N -0.561 115.120 115.700 -0.030 0.000 2.656 88 S HA 0.386 4.856 4.470 -0.000 0.000 0.265 88 S C -1.523 173.064 174.600 -0.021 0.000 1.110 88 S CA -0.995 57.186 58.200 -0.032 0.000 0.821 88 S CB 0.004 63.211 63.200 0.011 0.000 1.099 88 S HN 0.366 nan 8.310 nan 0.000 0.471 89 N N 0.979 119.588 118.700 -0.151 0.000 2.392 89 N HA 0.469 5.209 4.740 -0.000 0.000 0.283 89 N C 0.386 175.768 175.510 -0.215 0.000 1.003 89 N CA -0.733 52.192 53.050 -0.207 0.000 0.892 89 N CB 0.796 39.103 38.487 -0.300 0.000 1.193 89 N HN 0.827 nan 8.380 nan 0.000 0.487 90 W N 2.737 123.920 121.300 -0.194 0.000 2.425 90 W HA -0.060 4.600 4.660 -0.000 0.000 0.277 90 W C 0.863 177.369 176.519 -0.023 0.000 1.231 90 W CA 0.902 58.145 57.345 -0.170 0.000 1.248 90 W CB -0.368 28.906 29.460 -0.310 0.000 1.117 90 W HN 0.485 nan 8.180 nan 0.000 0.568 91 Q N 0.419 120.217 119.800 -0.003 0.000 2.291 91 Q HA -0.121 4.219 4.340 -0.000 0.000 0.206 91 Q C 1.981 177.957 176.000 -0.039 0.000 0.976 91 Q CA 1.518 57.342 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 -0.044 4.436 4.480 -0.000 0.000 0.254 92 M C 0.326 176.559 176.300 -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 -1.755 117.376 119.070 0.101 0.000 2.581 93 H HA 0.381 4.937 4.556 -0.000 0.000 0.275 93 H C 1.275 176.510 175.328 -0.155 0.000 1.126 93 H CA 0.100 56.180 56.048 0.054 0.000 1.097 93 H CB 0.539 30.464 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 0.631 175.432 174.900 -0.166 0.000 0.982 94 G CA 0.628 45.664 45.100 -0.105 0.000 0.632 94 G HN 0.470 nan 8.290 nan 0.000 0.529 95 Y N 1.997 122.318 120.300 0.036 0.000 2.151 95 Y HA 0.161 4.710 4.550 -0.000 0.000 0.284 95 Y C 1.760 177.451 175.900 -0.349 0.000 1.166 95 Y CA 1.748 59.734 58.100 -0.190 0.000 1.163 95 Y CB -0.187 38.158 38.460 -0.191 0.000 0.974 95 Y HN 0.681 nan 8.280 nan 0.000 0.511 96 D N -2.581 117.940 120.400 0.202 0.000 2.768 96 D HA 0.510 5.150 4.640 -0.000 0.000 0.327 96 D C -1.183 175.236 176.300 0.198 0.000 1.302 96 D CA -0.700 53.417 54.000 0.196 0.000 0.897 96 D CB 0.651 41.718 40.800 0.444 0.000 1.420 96 D HN 0.030 nan 8.370 nan 0.000 0.494 97 A N -0.295 122.643 122.820 0.196 0.000 2.327 97 A HA 0.686 5.006 4.320 -0.000 0.000 0.283 97 A C -2.402 175.230 177.584 0.081 0.000 1.127 97 A CA -1.059 51.070 52.037 0.155 0.000 0.810 97 A CB 0.018 19.154 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 -0.537 0.000 1.013 99 I N 2.387 123.179 120.570 0.369 0.000 2.474 99 I HA 0.320 4.490 4.170 -0.000 0.000 0.294 99 I C -0.441 175.892 176.117 0.361 0.000 1.005 99 I CA -0.809 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 5.391 125.684 120.300 -0.012 0.000 2.712 100 Y HA 0.583 5.133 4.550 -0.000 0.000 0.328 100 Y C -0.343 175.416 175.900 -0.235 0.000 0.995 100 Y CA -0.292 57.514 58.100 -0.490 0.000 1.283 100 Y CB 0.905 38.414 38.460 -1.585 0.000 1.092 100 Y HN 0.631 nan 8.280 nan 0.000 0.519 101 T N 4.174 118.209 114.554 -0.866 0.000 2.887 101 T HA 0.253 4.603 4.350 -0.000 0.000 0.288 101 T C 0.370 174.587 174.700 -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 2.026 120.330 118.700 -0.661 0.000 2.324 102 N HA 0.021 4.761 4.740 -0.000 0.000 0.192 102 N C 1.360 176.619 175.510 -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 0.396 119.988 119.914 -0.537 0.000 2.627 103 V HA 0.079 4.199 4.120 -0.000 0.000 0.239 103 V C 0.551 176.309 176.094 -0.560 0.000 1.077 103 V CA 0.662 62.542 62.300 -0.700 0.000 1.103 103 V CB -0.021 31.351 31.823 -0.752 0.000 0.802 103 V HN 0.277 nan 8.190 nan 0.000 0.482 104 T N 1.337 115.639 114.554 -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 62.286 62.100 -0.287 0.000 1.159 104 T CB -0.336 68.406 68.868 -0.211 0.000 0.928 104 T HN 0.188 nan 8.240 nan 0.000 0.538 105 Y N 4.791 124.989 120.300 -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 0.397 38.747 38.460 -0.183 0.000 1.283 105 Y HN 0.560 nan 8.280 nan 0.000 0.563 106 P HA -0.125 nan 4.420 nan 0.000 0.218 106 P C 0.186 177.302 177.300 -0.307 0.000 1.149 106 P CA 1.347 64.335 63.100 -0.187 0.000 0.817 106 P CB 0.173 31.737 31.700 -0.227 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 -0.445 175.535 176.117 -0.229 0.000 1.089 107 I CA -0.991 60.041 61.300 -0.448 0.000 1.023 107 I CB 1.279 38.838 38.000 -0.735 0.000 1.269 107 I HN -0.396 nan 8.210 nan 0.000 0.512 108 T N 2.347 116.809 114.554 -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 61.655 62.100 -0.052 0.000 1.118 108 T CB 1.065 69.929 68.868 -0.006 0.000 0.948 108 T HN 0.392 nan 8.240 nan 0.000 0.531 109 V N 4.343 124.271 119.914 0.022 0.000 2.352 109 V HA 0.267 4.387 4.120 -0.000 0.000 0.253 109 V C 0.653 176.810 176.094 0.106 0.000 1.083 109 V CA -0.267 62.076 62.300 0.072 0.000 0.993 109 V CB -0.621 31.232 31.823 0.050 0.000 1.111 109 V HN 0.862 nan 8.190 nan 0.000 0.490 110 N N 5.313 124.137 118.700 0.207 0.000 2.679 110 N HA 0.244 4.984 4.740 -0.000 0.000 0.240 110 N C -2.974 172.622 175.510 0.142 0.000 1.537 110 N CA -1.186 51.972 53.050 0.180 0.000 0.793 110 N CB 1.462 40.105 38.487 0.261 0.000 1.391 110 N HN 0.284 nan 8.380 nan 0.000 0.524 111 P HA 0.189 nan 4.420 nan 0.000 0.266 111 P C -2.349 174.652 177.300 -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 31.374 31.700 -1.159 0.000 0.838 112 P HA 0.262 nan 4.420 nan 0.000 0.248 112 P C -0.745 176.419 177.300 -0.228 0.000 1.708 112 P CA -0.276 62.575 63.100 -0.415 0.000 1.062 112 P CB -0.286 31.183 31.700 -0.386 0.000 1.562 113 F N -0.366 119.719 119.950 0.225 0.000 2.404 113 F HA 0.292 4.819 4.527 -0.000 0.000 0.345 113 F C 1.054 177.031 175.800 0.294 0.000 1.110 113 F CA -1.173 56.965 58.000 0.229 0.000 1.130 113 F CB 1.300 40.377 39.000 0.128 0.000 1.129 113 F HN -0.291 nan 8.300 nan 0.000 0.500 114 V N 4.209 124.421 119.914 0.496 0.000 2.863 114 V HA 0.345 4.465 4.120 -0.000 0.000 0.307 114 V C -1.856 174.424 176.094 0.310 0.000 1.061 114 V CA -1.796 60.721 62.300 0.361 0.000 1.024 114 V CB 1.519 33.652 31.823 0.516 0.000 1.049 114 V HN 0.542 nan 8.190 nan 0.000 0.471 115 P HA 0.096 nan 4.420 nan 0.000 0.274 115 P C 0.802 178.256 177.300 0.257 0.000 1.231 115 P CA 0.049 63.258 63.100 0.181 0.000 0.790 115 P CB 0.605 32.370 31.700 0.109 0.000 0.951 116 T N -0.258 114.412 114.554 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 1.259 63.472 62.100 0.188 0.000 1.140 116 T CB -0.638 68.305 68.868 0.126 0.000 0.864 116 T HN 0.398 nan 8.240 nan 0.000 0.455 117 E N 2.821 123.137 120.200 0.194 0.000 1.963 117 E HA 0.428 4.778 4.350 -0.000 0.000 0.274 117 E C -0.671 176.084 176.600 0.259 0.000 1.061 117 E CA -0.313 56.202 56.400 0.192 0.000 0.847 117 E CB 0.439 30.258 29.700 0.197 0.000 1.083 117 E HN 0.442 nan 8.360 nan 0.000 0.402 118 N N 3.347 122.153 118.700 0.177 0.000 2.540 118 N HA 0.295 5.035 4.740 -0.000 0.000 0.275 118 N C -2.818 172.667 175.510 -0.043 0.000 1.053 118 N CA -2.683 50.471 53.050 0.174 0.000 0.876 118 N CB 1.204 39.852 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 63.583 63.100 -0.172 0.000 0.806 119 P CB -0.041 31.843 31.700 0.306 0.000 0.775 120 T N 2.762 116.993 114.554 -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 -0.691 0.000 0.990 120 T CA -0.469 61.375 62.100 -0.426 0.000 1.028 120 T CB 1.529 70.155 68.868 -0.405 0.000 0.951 120 T HN 0.301 nan 8.240 nan 0.000 0.460 121 G N 0.973 109.513 108.800 -0.433 0.000 2.605 121 G HA2 0.487 4.447 3.960 -0.000 0.000 0.304 121 G HA3 0.487 4.447 3.960 -0.000 0.000 0.304 121 G C -0.381 174.459 174.900 -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 3.071 122.026 119.300 -0.574 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 -1.140 57.528 59.018 -0.584 0.000 1.697 122 C CB -1.698 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 1.697 122.211 120.300 0.356 0.000 2.387 123 Y HA 0.628 5.178 4.550 -0.000 0.000 0.336 123 Y C 0.726 177.099 175.900 0.789 0.000 1.067 123 Y CA -0.511 57.956 58.100 0.613 0.000 1.114 123 Y CB 1.383 40.200 38.460 0.594 0.000 1.208 123 Y HN 0.701 nan 8.280 nan 0.000 0.458 124 S N 3.079 119.274 115.700 0.826 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 2.341 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 0.004 54.603 54.840 -0.401 0.000 0.878 125 L CB 2.192 43.398 42.059 -1.422 0.000 1.333 125 L HN 0.770 nan 8.230 nan 0.000 0.409 126 T N 5.300 119.842 114.554 -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 0.681 120.550 119.950 -0.135 0.000 2.741 127 F HA 0.694 5.221 4.527 -0.000 0.000 0.313 127 F C -1.042 174.700 175.800 -0.096 0.000 1.153 127 F CA -1.508 56.418 58.000 -0.122 0.000 0.931 127 F CB 1.261 40.178 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 -1.740 173.719 175.510 -0.085 0.000 1.129 128 N CA -0.621 52.338 53.050 -0.153 0.000 0.931 128 N CB 2.214 40.641 38.487 -0.101 0.000 1.193 128 N HN 0.591 nan 8.380 nan 0.000 0.500 129 V N 0.959 120.780 119.914 -0.155 0.000 2.577 129 V HA 0.260 4.380 4.120 -0.000 0.000 0.303 129 V C -0.586 175.381 176.094 -0.211 0.000 1.042 129 V CA -1.030 61.170 62.300 -0.166 0.000 0.872 129 V CB 1.541 33.322 31.823 -0.070 0.000 0.998 129 V HN 0.671 nan 8.190 nan 0.000 0.423 130 D N 3.404 123.579 120.400 -0.376 0.000 2.455 130 D HA -0.012 4.628 4.640 -0.000 0.000 0.241 130 D C 1.275 177.491 176.300 -0.139 0.000 1.138 130 D CA 0.182 54.011 54.000 -0.285 0.000 0.877 130 D CB 1.300 41.880 40.800 -0.367 0.000 1.187 130 D HN 0.820 nan 8.370 nan 0.000 0.451 131 E N 2.592 122.758 120.200 -0.057 0.000 2.274 131 E HA -0.204 4.146 4.350 -0.000 0.000 0.194 131 E C 1.400 178.039 176.600 0.066 0.000 0.996 131 E CA 0.918 57.327 56.400 0.014 0.000 0.840 131 E CB -0.173 29.532 29.700 0.008 0.000 0.772 131 E HN 0.435 nan 8.360 nan 0.000 0.491 132 S N 0.336 116.069 115.700 0.055 0.000 2.380 132 S HA -0.205 4.265 4.470 -0.000 0.000 0.229 132 S C 1.557 176.260 174.600 0.172 0.000 1.043 132 S CA 1.491 59.757 58.200 0.109 0.000 1.038 132 S CB -0.746 62.525 63.200 0.118 0.000 0.872 132 S HN 0.539 nan 8.310 nan 0.000 0.456 133 W N 1.212 122.380 121.300 -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 0.131 57.218 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 0.987 55.933 54.840 0.176 0.000 0.799 134 L CB -0.357 41.772 42.059 0.116 0.000 0.925 134 L HN 0.026 nan 8.230 nan 0.000 0.446 135 Q N -0.324 119.549 119.800 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 0.964 56.823 55.803 0.094 0.000 0.862 135 Q CB -0.114 28.671 28.738 0.078 0.000 0.913 135 Q HN 0.230 nan 8.270 nan 0.000 0.431 136 E N 0.673 120.944 120.200 0.120 0.000 2.292 136 E HA 0.399 4.749 4.350 -0.000 0.000 0.258 136 E C 0.489 177.188 176.600 0.164 0.000 1.115 136 E CA 0.135 56.602 56.400 0.111 0.000 0.929 136 E CB 0.477 30.227 29.700 0.084 0.000 1.161 136 E HN 0.411 nan 8.360 nan 0.000 0.453 137 G N 0.596 109.417 108.800 0.036 0.000 2.645 137 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.239 137 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.239 137 G C -0.830 173.974 174.900 -0.160 0.000 1.331 137 G CA 0.242 45.250 45.100 -0.153 0.000 0.890 137 G HN 0.844 nan 8.290 nan 0.000 0.572 138 Q N -0.573 118.972 119.800 -0.425 0.000 2.347 138 Q HA 0.644 4.984 4.340 -0.000 0.000 0.271 138 Q C -1.324 174.532 176.000 -0.241 0.000 1.064 138 Q CA -0.453 55.214 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 4.731 119.296 114.554 0.018 0.000 2.815 139 T HA 0.517 4.867 4.350 -0.000 0.000 0.289 139 T C -0.750 174.030 174.700 0.133 0.000 1.000 139 T CA -0.643 61.526 62.100 0.115 0.000 0.958 139 T CB 0.678 69.745 68.868 0.331 0.000 0.944 139 T HN 0.639 nan 8.240 nan 0.000 0.442 140 R N 3.320 123.878 120.500 0.096 0.000 2.854 140 R HA 0.740 5.080 4.340 -0.000 0.000 0.271 140 R C -1.258 175.107 176.300 0.109 0.000 0.994 140 R CA -0.974 55.197 56.100 0.118 0.000 0.945 140 R CB 1.673 32.028 30.300 0.092 0.000 1.194 140 R HN 0.519 nan 8.270 nan 0.000 0.476 141 I N 2.658 123.297 120.570 0.114 0.000 2.525 141 I HA 0.478 4.648 4.170 -0.000 0.000 0.301 141 I C -1.077 175.037 176.117 -0.006 0.000 0.992 141 I CA -1.466 59.844 61.300 0.017 0.000 1.162 141 I CB 1.601 39.599 38.000 -0.002 0.000 1.332 141 I HN 0.661 nan 8.210 nan 0.000 0.458 142 I N 6.461 126.904 120.570 -0.211 0.000 2.512 142 I HA 0.263 4.433 4.170 -0.000 0.000 0.287 142 I C -1.359 174.492 176.117 -0.442 0.000 1.069 142 I CA -0.403 60.782 61.300 -0.193 0.000 1.056 142 I CB 1.862 39.803 38.000 -0.097 0.000 1.229 142 I HN 0.329 nan 8.210 nan 0.000 0.429 143 F N 4.335 124.283 119.950 -0.003 0.000 2.334 143 F HA 0.276 4.803 4.527 -0.000 0.000 0.367 143 F C 1.326 177.023 175.800 -0.173 0.000 1.115 143 F CA -0.430 57.496 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 2.361 122.703 120.400 -0.097 0.000 2.264 144 D HA 0.056 4.696 4.640 -0.000 0.000 0.208 144 D C 0.952 177.097 176.300 -0.258 0.000 0.966 144 D CA 0.907 54.801 54.000 -0.176 0.000 0.864 144 D CB 0.366 41.024 40.800 -0.236 0.000 0.933 144 D HN 0.663 nan 8.370 nan 0.000 0.499 145 G N -0.707 107.868 108.800 -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 -0.772 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 -0.804 175.340 176.094 0.084 0.000 1.047 146 V CA -1.167 60.992 62.300 -0.236 0.000 0.880 146 V CB 1.835 33.258 31.823 -0.667 0.000 1.009 146 V HN 0.782 nan 8.190 nan 0.000 0.429 147 N N 2.558 121.371 118.700 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 0.170 53.262 53.050 0.070 0.000 0.892 147 N CB 2.407 40.857 38.487 -0.062 0.000 1.193 147 N HN 0.632 nan 8.380 nan 0.000 0.487 148 S N 2.239 117.922 115.700 -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 0.281 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 -1.169 176.559 177.584 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 -0.986 118.830 119.950 -0.224 0.000 2.746 150 F HA 0.624 5.151 4.527 -0.000 0.000 0.311 150 F C -1.463 174.323 175.800 -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 1.947 121.192 119.070 0.291 0.000 2.533 151 H HA 0.821 5.377 4.556 -0.000 0.000 0.343 151 H C -1.349 174.060 175.328 0.136 0.000 1.160 151 H CA -0.677 55.489 56.048 0.196 0.000 1.218 151 H CB 2.325 32.272 29.762 0.309 0.000 1.566 151 H HN 0.859 nan 8.280 nan 0.000 0.522 152 L N 1.903 123.031 121.223 -0.157 0.000 2.455 152 L HA 0.408 4.748 4.340 -0.000 0.000 0.264 152 L C -1.871 174.714 176.870 -0.474 0.000 0.968 152 L CA -0.508 54.248 54.840 -0.141 0.000 0.827 152 L CB 1.872 43.790 42.059 -0.235 0.000 1.317 152 L HN 0.502 nan 8.230 nan 0.000 0.407 153 W N 4.031 125.303 121.300 -0.046 0.000 2.864 153 W HA 0.649 5.309 4.660 -0.000 0.000 0.343 153 W C -1.164 175.287 176.519 -0.113 0.000 1.109 153 W CA -0.827 56.460 57.345 -0.097 0.000 1.192 153 W CB 2.114 31.547 29.460 -0.044 0.000 1.426 153 W HN 0.689 nan 8.180 nan 0.000 0.529 154 C N 4.736 124.119 119.300 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 58.644 59.018 0.093 0.000 1.341 154 C CB -0.612 27.097 27.740 -0.052 0.000 1.970 154 C HN 0.795 nan 8.230 nan 0.000 0.452 155 N N 3.868 122.638 118.700 0.118 0.000 2.725 155 N HA -0.183 4.557 4.740 -0.000 0.000 0.251 155 N C 1.010 176.582 175.510 0.103 0.000 1.031 155 N CA 2.013 55.110 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 -1.206 107.640 108.800 0.077 0.000 2.234 156 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.260 156 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.260 156 G C 0.232 175.310 174.900 0.296 0.000 0.987 156 G CA 0.663 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 -0.729 120.012 120.500 0.403 0.000 2.297 157 R HA 0.432 4.772 4.340 -0.000 0.000 0.308 157 R C -0.051 176.569 176.300 0.534 0.000 1.029 157 R CA -0.873 55.542 56.100 0.525 0.000 0.929 157 R CB 0.608 31.235 30.300 0.545 0.000 1.046 157 R HN 0.260 nan 8.270 nan 0.000 0.461 158 W N 4.104 125.552 121.300 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 -1.750 0.000 1.159 159 V CA 0.848 62.339 62.300 -1.349 0.000 1.194 159 V CB -0.331 30.791 31.823 -1.167 0.000 0.971 159 V HN 0.788 nan 8.190 nan 0.000 0.494 160 G N -1.699 105.905 108.800 -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 -2.454 172.173 174.900 -0.454 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 -0.191 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 -0.087 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 3.081 111.102 108.800 -1.298 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 -2.230 172.214 174.900 -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 -0.216 119.386 119.800 -0.329 0.000 2.587 163 Q HA 0.613 4.953 4.340 -0.000 0.000 0.293 163 Q C -1.401 174.595 176.000 -0.007 0.000 1.083 163 Q CA -0.892 54.832 55.803 -0.131 0.000 0.792 163 Q CB 2.797 31.503 28.738 -0.053 0.000 1.484 163 Q HN 0.670 nan 8.270 nan 0.000 0.446 164 D N -0.121 120.313 120.400 0.057 0.000 4.370 164 D HA -0.101 4.539 4.640 -0.000 0.000 0.238 164 D C -0.329 176.030 176.300 0.099 0.000 1.104 164 D CA 0.667 54.718 54.000 0.084 0.000 1.101 164 D CB -0.682 40.155 40.800 0.062 0.000 0.749 164 D HN 0.568 nan 8.370 nan 0.000 0.351 165 S N 3.457 119.233 115.700 0.127 0.000 2.469 165 S HA -0.135 4.335 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 0.690 58.993 58.200 0.172 0.000 0.957 165 S CB 0.157 63.459 63.200 0.169 0.000 0.764 165 S HN 0.559 nan 8.310 nan 0.000 0.514 166 R N 0.029 120.615 120.500 0.143 0.000 2.334 166 R HA 0.406 4.746 4.340 -0.000 0.000 0.212 166 R C 0.043 176.398 176.300 0.092 0.000 0.897 166 R CA 0.095 56.279 56.100 0.139 0.000 1.056 166 R CB -0.068 30.335 30.300 0.171 0.000 1.046 166 R HN 0.368 nan 8.270 nan 0.000 0.513 167 L N 1.338 122.593 121.223 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 52.433 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 1.419 117.162 115.700 0.072 0.000 2.502 169 S HA 0.384 4.854 4.470 -0.000 0.000 0.304 169 S C -0.636 173.987 174.600 0.039 0.000 1.097 169 S CA -0.626 57.606 58.200 0.053 0.000 1.045 169 S CB 1.047 64.400 63.200 0.255 0.000 1.019 169 S HN 0.347 nan 8.310 nan 0.000 0.481 170 E N 1.912 121.932 120.200 -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 1.691 31.374 29.700 -0.027 0.000 1.199 170 E HN 0.413 nan 8.360 nan 0.000 0.422 171 F N 0.062 120.063 119.950 0.086 0.000 2.588 171 F HA 0.265 4.792 4.527 -0.000 0.000 0.310 171 F C -0.209 175.614 175.800 0.039 0.000 1.082 171 F CA -1.304 56.721 58.000 0.041 0.000 0.929 171 F CB 1.196 40.188 39.000 -0.014 0.000 1.254 171 F HN 0.248 nan 8.300 nan 0.000 0.455 172 D N 2.174 122.729 120.400 0.258 0.000 2.336 172 D HA 0.238 4.878 4.640 -0.000 0.000 0.249 172 D C 0.519 176.949 176.300 0.218 0.000 1.213 172 D CA 0.347 54.464 54.000 0.193 0.000 0.870 172 D CB 0.965 41.865 40.800 0.166 0.000 1.076 172 D HN 0.594 nan 8.370 nan 0.000 0.483 173 L N 2.532 123.881 121.223 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 0.400 0.000 1.106 173 L CA -0.047 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 1.125 116.998 115.700 0.287 0.000 2.461 174 S HA -0.365 4.105 4.470 -0.000 0.000 0.266 174 S C 1.789 176.514 174.600 0.208 0.000 1.138 174 S CA 2.127 60.462 58.200 0.224 0.000 1.146 174 S CB -0.315 62.974 63.200 0.148 0.000 1.042 174 S HN 0.588 nan 8.310 nan 0.000 0.448 175 A N -1.000 121.952 122.820 0.220 0.000 2.278 175 A HA 0.419 4.739 4.320 -0.000 0.000 0.212 175 A C 0.959 178.444 177.584 -0.166 0.000 1.213 175 A CA 0.146 52.160 52.037 -0.038 0.000 0.840 175 A CB -0.269 18.566 19.000 -0.275 0.000 0.866 175 A HN 0.484 nan 8.150 nan 0.000 0.489 176 F N -1.058 118.932 119.950 0.065 0.000 2.767 176 F HA 0.374 4.901 4.527 -0.000 0.000 0.323 176 F C 0.468 176.300 175.800 0.053 0.000 1.091 176 F CA -0.679 57.355 58.000 0.058 0.000 1.192 176 F CB -0.035 39.002 39.000 0.063 0.000 1.056 176 F HN -0.063 nan 8.300 nan 0.000 0.571 177 L N 1.822 123.211 121.223 0.278 0.000 2.417 177 L HA 0.422 4.762 4.340 -0.000 0.000 0.268 177 L C 0.260 177.182 176.870 0.087 0.000 1.158 177 L CA -0.206 54.735 54.840 0.167 0.000 0.819 177 L CB 0.788 42.964 42.059 0.196 0.000 1.112 177 L HN 0.020 nan 8.230 nan 0.000 0.458 178 R N 1.260 121.773 120.500 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 1.840 32.119 30.300 -0.035 0.000 1.182 178 R HN 0.700 nan 8.270 nan 0.000 0.479 179 A N 0.906 123.708 122.820 -0.030 0.000 2.407 179 A HA 0.547 4.867 4.320 -0.000 0.000 0.248 179 A C 0.943 178.477 177.584 -0.084 0.000 1.082 179 A CA 0.839 52.848 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 0.807 109.544 108.800 -0.106 0.000 2.536 180 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.277 180 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.277 180 G C 0.137 174.916 174.900 -0.202 0.000 1.155 180 G CA 0.363 45.386 45.100 -0.129 0.000 0.960 180 G HN 1.005 nan 8.290 nan 0.000 0.544 181 E N 2.408 122.495 120.200 -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 -0.032 56.219 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 3.084 121.413 118.700 -0.619 0.000 2.328 182 N HA 0.415 5.155 4.740 -0.000 0.000 0.299 182 N C -0.759 174.431 175.510 -0.534 0.000 1.179 182 N CA -0.671 51.986 53.050 -0.655 0.000 0.793 182 N CB 2.207 40.152 38.487 -0.903 0.000 1.366 182 N HN 0.287 nan 8.380 nan 0.000 0.493 183 R N 1.613 121.999 120.500 -0.191 0.000 2.538 183 R HA 0.422 4.762 4.340 -0.000 0.000 0.292 183 R C -1.317 175.055 176.300 0.119 0.000 1.008 183 R CA -0.477 55.623 56.100 0.000 0.000 0.896 183 R CB 1.066 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 2.941 124.297 121.223 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 0.206 0.000 0.804 184 L CB 1.812 44.019 42.059 0.247 0.000 1.200 184 L HN 0.664 nan 8.230 nan 0.000 0.436 185 A N 3.226 126.138 122.820 0.153 0.000 2.375 185 A HA 0.687 5.007 4.320 -0.000 0.000 0.291 185 A C -0.868 177.027 177.584 0.519 0.000 1.160 185 A CA -0.441 51.627 52.037 0.053 0.000 0.747 185 A CB 1.334 19.757 19.000 -0.962 0.000 1.170 185 A HN 0.390 nan 8.150 nan 0.000 0.458 186 V N 3.432 123.819 119.914 0.789 0.000 2.357 186 V HA 0.485 4.605 4.120 -0.000 0.000 0.284 186 V C 0.114 176.709 176.094 0.835 0.000 1.018 186 V CA -0.312 62.432 62.300 0.741 0.000 0.841 186 V CB 1.344 33.425 31.823 0.430 0.000 0.991 186 V HN 0.948 nan 8.190 nan 0.000 0.437 187 M N 6.121 126.213 119.600 0.821 0.000 2.088 187 M HA 0.600 5.080 4.480 -0.000 0.000 0.346 187 M C -1.436 175.119 176.300 0.424 0.000 1.111 187 M CA -0.330 55.287 55.300 0.529 0.000 1.017 187 M CB 1.286 34.239 32.600 0.588 0.000 1.568 187 M HN 0.476 nan 8.290 nan 0.000 0.445 188 V N 6.737 126.842 119.914 0.317 0.000 2.483 188 V HA 0.502 4.622 4.120 -0.000 0.000 0.295 188 V C -0.207 176.038 176.094 0.251 0.000 1.035 188 V CA -0.775 61.704 62.300 0.298 0.000 0.896 188 V CB 1.569 33.590 31.823 0.330 0.000 0.986 188 V HN 0.816 nan 8.190 nan 0.000 0.447 189 L N 3.091 124.405 121.223 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 -0.782 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 1.607 121.969 120.500 -0.231 0.000 2.075 190 R HA -0.007 4.333 4.340 -0.000 0.000 0.230 190 R C -0.278 175.638 176.300 -0.640 0.000 1.140 190 R CA 1.753 57.421 56.100 -0.721 0.000 0.928 190 R CB 0.063 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 0.295 121.650 121.300 0.091 0.000 2.449 191 W HA 0.319 4.979 4.660 -0.000 0.000 0.331 191 W C 0.062 176.690 176.519 0.182 0.000 1.119 191 W CA -0.787 56.622 57.345 0.106 0.000 1.240 191 W CB 1.311 30.836 29.460 0.108 0.000 1.251 191 W HN 0.084 nan 8.180 nan 0.000 0.576 192 S N -1.009 114.976 115.700 0.474 0.000 2.643 192 S HA 0.204 4.674 4.470 -0.000 0.000 0.270 192 S C 0.062 174.914 174.600 0.420 0.000 1.166 192 S CA -0.511 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 1.840 178.434 176.300 0.490 0.000 0.976 193 D CA 1.194 55.471 54.000 0.461 0.000 0.853 193 D CB -0.798 40.161 40.800 0.265 0.000 0.939 193 D HN 0.712 nan 8.370 nan 0.000 0.481 194 G N 0.100 109.112 108.800 0.352 0.000 2.462 194 G HA2 -0.302 3.657 3.960 -0.000 0.000 0.220 194 G HA3 -0.302 3.657 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 0.875 46.155 45.100 0.300 0.000 0.758 194 G HN 0.316 nan 8.290 nan 0.000 0.559 195 S N -0.108 115.756 115.700 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 0.940 59.265 58.200 0.209 0.000 1.002 195 S CB -0.424 62.897 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 1.537 177.534 175.900 0.162 0.000 1.143 196 Y CA 0.619 58.739 58.100 0.032 0.000 1.289 196 Y CB -0.218 38.154 38.460 -0.145 0.000 0.983 196 Y HN 0.196 nan 8.280 nan 0.000 0.556 197 L N -0.010 121.403 121.223 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 -0.006 42.190 42.059 0.228 0.000 1.216 197 L HN 0.204 nan 8.230 nan 0.000 0.493 198 E N -0.473 119.887 120.200 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 1.384 121.871 120.400 0.145 0.000 2.519 199 D HA 0.006 4.646 4.640 -0.000 0.000 0.238 199 D C -0.222 176.082 176.300 0.007 0.000 1.192 199 D CA -0.010 53.963 54.000 -0.044 0.000 0.835 199 D CB 0.065 40.603 40.800 -0.436 0.000 0.975 199 D HN 0.083 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 -0.037 176.084 176.000 0.202 0.000 1.022 200 Q CA 0.169 56.123 55.803 0.252 0.000 0.898 200 Q CB 0.557 29.579 28.738 0.473 0.000 1.246 200 Q HN 0.052 nan 8.270 nan 0.000 0.410 201 D N 3.395 123.946 120.400 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 0.222 54.356 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 -1.206 175.201 176.300 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 1.969 123.356 121.300 0.145 0.000 2.216 203 W HA 0.393 5.053 4.660 -0.000 0.000 0.326 203 W C 0.126 176.654 176.519 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 4.999 125.683 120.500 0.307 0.000 2.204 204 R HA 0.402 4.741 4.340 -0.000 0.000 0.341 204 R C -0.168 176.158 176.300 0.042 0.000 1.035 204 R CA -0.194 56.006 56.100 0.167 0.000 0.887 204 R CB 0.249 30.692 30.300 0.237 0.000 1.114 204 R HN 0.578 nan 8.270 nan 0.000 0.473 205 M N 0.368 119.891 119.600 -0.128 0.000 2.655 205 M HA 0.506 4.986 4.480 -0.000 0.000 0.271 205 M C -0.137 175.852 176.300 -0.519 0.000 1.013 205 M CA -0.728 54.377 55.300 -0.326 0.000 0.994 205 M CB 1.995 34.389 32.600 -0.343 0.000 1.585 205 M HN 0.659 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 0.848 5.318 4.470 -0.000 0.000 0.270 206 S C -0.629 173.547 174.600 -0.706 0.000 1.131 206 S CA -0.328 57.368 58.200 -0.840 0.000 0.826 206 S CB 1.444 63.956 63.200 -1.147 0.000 1.095 206 S HN 1.428 nan 8.310 nan 0.000 0.461 207 G N 0.244 108.837 108.800 -0.343 0.000 2.318 207 G HA2 0.156 4.116 3.960 -0.000 0.000 0.367 207 G HA3 0.156 4.116 3.960 -0.000 0.000 0.367 207 G C -1.506 173.387 174.900 -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 1.013 177.010 176.117 -0.200 0.000 1.107 208 I CA -0.309 60.769 61.300 -0.370 0.000 1.219 208 I CB -0.032 37.545 38.000 -0.706 0.000 1.455 208 I HN 0.514 nan 8.210 nan 0.000 0.498 209 F N 3.981 123.800 119.950 -0.218 0.000 2.727 209 F HA 0.427 4.954 4.527 -0.000 0.000 0.302 209 F C 0.697 176.433 175.800 -0.107 0.000 1.097 209 F CA -0.526 57.377 58.000 -0.160 0.000 1.330 209 F CB 0.070 38.974 39.000 -0.161 0.000 1.084 209 F HN 0.121 nan 8.300 nan 0.000 0.578 210 R N 0.682 120.782 120.500 -0.666 0.000 2.912 210 R HA 0.260 4.600 4.340 -0.000 0.000 0.262 210 R C -1.003 175.135 176.300 -0.271 0.000 1.057 210 R CA -1.158 54.701 56.100 -0.401 0.000 0.981 210 R CB 0.561 30.610 30.300 -0.418 0.000 1.201 210 R HN -0.032 nan 8.270 nan 0.000 0.484 211 D N 0.779 121.082 120.400 -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 0.434 54.357 54.000 -0.128 0.000 0.876 211 D CB 0.403 41.164 40.800 -0.066 0.000 1.208 211 D HN 0.064 nan 8.370 nan 0.000 0.464 212 V N 0.927 120.747 119.914 -0.157 0.000 2.540 212 V HA 0.653 4.772 4.120 -0.000 0.000 0.302 212 V C -0.142 175.858 176.094 -0.156 0.000 1.035 212 V CA -0.592 61.570 62.300 -0.231 0.000 0.873 212 V CB 1.608 33.307 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 0.827 5.297 4.470 -0.000 0.000 0.271 213 S C -1.247 173.305 174.600 -0.081 0.000 1.161 213 S CA -0.953 57.184 58.200 -0.106 0.000 0.820 213 S CB 1.922 65.089 63.200 -0.055 0.000 1.137 213 S HN 0.469 nan 8.310 nan 0.000 0.470 214 L N 1.300 122.541 121.223 0.030 0.000 2.386 214 L HA 0.698 5.037 4.340 -0.000 0.000 0.271 214 L C -1.590 175.389 176.870 0.183 0.000 0.993 214 L CA -0.790 54.133 54.840 0.138 0.000 0.819 214 L CB 1.869 44.098 42.059 0.283 0.000 1.294 214 L HN 0.672 nan 8.230 nan 0.000 0.414 215 L N 2.393 123.683 121.223 0.112 0.000 2.409 215 L HA 0.489 4.829 4.340 -0.000 0.000 0.272 215 L C -1.059 175.716 176.870 -0.159 0.000 0.980 215 L CA -0.287 54.551 54.840 -0.003 0.000 0.826 215 L CB 1.663 43.726 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 55.417 56.048 -0.815 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 5.423 125.329 120.400 -0.823 0.000 2.435 217 K HA 0.418 4.738 4.320 -0.000 0.000 0.251 217 K C -2.742 173.505 176.600 -0.589 0.000 0.954 217 K CA -2.460 53.491 56.287 -0.561 0.000 0.820 217 K CB 1.810 34.091 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 -0.101 62.849 63.100 -0.250 0.000 0.789 218 P CB 0.444 32.050 31.700 -0.156 0.000 0.951 219 T N -2.985 111.478 114.554 -0.152 0.000 2.942 219 T HA -0.019 4.331 4.350 -0.000 0.000 0.265 219 T C 0.687 175.312 174.700 -0.125 0.000 1.062 219 T CA 1.182 63.208 62.100 -0.123 0.000 1.139 219 T CB -0.696 68.125 68.868 -0.079 0.000 0.883 219 T HN 0.308 nan 8.240 nan 0.000 0.468 220 T N 3.404 117.884 114.554 -0.124 0.000 2.853 220 T HA 0.442 4.792 4.350 -0.000 0.000 0.317 220 T C -0.338 174.270 174.700 -0.154 0.000 1.059 220 T CA -0.786 61.231 62.100 -0.140 0.000 0.954 220 T CB 0.712 69.504 68.868 -0.127 0.000 0.994 220 T HN 0.557 nan 8.240 nan 0.000 0.479 221 Q N 2.781 122.474 119.800 -0.179 0.000 2.683 221 Q HA 0.583 4.923 4.340 -0.000 0.000 0.302 221 Q C -1.030 174.850 176.000 -0.200 0.000 1.042 221 Q CA -1.172 54.511 55.803 -0.199 0.000 0.773 221 Q CB 1.402 29.988 28.738 -0.253 0.000 1.508 221 Q HN 0.427 nan 8.270 nan 0.000 0.459 222 I N 2.755 123.182 120.570 -0.239 0.000 2.436 222 I HA -0.021 4.149 4.170 -0.000 0.000 0.289 222 I C 0.983 176.901 176.117 -0.332 0.000 1.083 222 I CA 0.110 61.278 61.300 -0.221 0.000 1.372 222 I CB 1.028 38.861 38.000 -0.277 0.000 1.408 222 I HN 0.832 nan 8.210 nan 0.000 0.516 223 S N 3.125 118.745 115.700 -0.134 0.000 2.503 223 S HA 0.129 4.598 4.470 -0.000 0.000 0.217 223 S C 0.264 174.997 174.600 0.223 0.000 0.999 223 S CA -0.106 58.060 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 -0.608 119.967 120.400 0.292 0.000 2.766 224 D HA 0.440 5.080 4.640 -0.000 0.000 0.244 224 D C -1.768 174.755 176.300 0.372 0.000 1.198 224 D CA -0.698 53.558 54.000 0.427 0.000 0.739 224 D CB 1.126 42.059 40.800 0.221 0.000 1.379 224 D HN 0.248 nan 8.370 nan 0.000 0.437 225 F N -0.432 119.562 119.950 0.074 0.000 2.678 225 F HA 0.705 5.232 4.527 -0.000 0.000 0.308 225 F C -1.538 174.288 175.800 0.044 0.000 1.118 225 F CA -0.786 57.163 58.000 -0.086 0.000 0.959 225 F CB 1.409 40.418 39.000 0.016 0.000 1.305 225 F HN 0.298 nan 8.300 nan 0.000 0.443 226 H N 1.005 120.077 119.070 0.003 0.000 2.768 226 H HA 0.788 5.344 4.556 -0.000 0.000 0.371 226 H C -1.366 173.950 175.328 -0.020 0.000 1.151 226 H CA -1.520 54.456 56.048 -0.119 0.000 1.165 226 H CB 2.686 32.399 29.762 -0.082 0.000 1.722 226 H HN 0.616 nan 8.280 nan 0.000 0.543 227 V N 1.168 121.129 119.914 0.078 0.000 2.815 227 V HA 0.827 4.947 4.120 -0.000 0.000 0.314 227 V C -0.493 175.580 176.094 -0.035 0.000 1.064 227 V CA -0.584 61.728 62.300 0.021 0.000 0.952 227 V CB 1.679 33.493 31.823 -0.015 0.000 1.020 227 V HN 0.973 nan 8.190 nan 0.000 0.439 228 A N 1.972 124.750 122.820 -0.069 0.000 2.547 228 A HA 0.830 5.150 4.320 -0.000 0.000 0.297 228 A C -0.481 177.012 177.584 -0.151 0.000 1.056 228 A CA -0.391 51.592 52.037 -0.089 0.000 0.688 228 A CB 2.033 21.006 19.000 -0.047 0.000 1.282 228 A HN 0.933 nan 8.150 nan 0.000 0.400 229 T N 0.038 114.494 114.554 -0.163 0.000 2.807 229 T HA 0.795 5.145 4.350 -0.000 0.000 0.279 229 T C -0.376 174.156 174.700 -0.279 0.000 0.993 229 T CA -0.694 61.241 62.100 -0.275 0.000 0.970 229 T CB 1.263 69.927 68.868 -0.340 0.000 0.950 229 T HN 0.703 nan 8.240 nan 0.000 0.441 230 R N 1.645 121.878 120.500 -0.445 0.000 2.740 230 R HA 0.768 5.108 4.340 -0.000 0.000 0.282 230 R C -1.249 174.676 176.300 -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 -0.135 0.000 1.175 230 R HN 0.555 nan 8.270 nan 0.000 0.464 231 F N 0.062 120.004 119.950 -0.014 0.000 2.640 231 F HA 0.360 4.887 4.527 -0.000 0.000 0.324 231 F C 0.361 176.041 175.800 -0.200 0.000 1.077 231 F CA -1.271 56.669 58.000 -0.101 0.000 0.965 231 F CB 0.851 39.711 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 -0.004 0.000 2.327 232 N HA 0.085 4.825 4.740 -0.000 0.000 0.257 232 N C 0.488 175.850 175.510 -0.246 0.000 1.281 232 N CA -0.215 52.784 53.050 -0.086 0.000 0.942 232 N CB 0.079 38.537 38.487 -0.048 0.000 1.199 232 N HN 0.647 nan 8.380 nan 0.000 0.532 233 D N -1.555 118.743 120.400 -0.170 0.000 2.265 233 D HA -0.226 4.414 4.640 -0.000 0.000 0.208 233 D C 0.111 176.278 176.300 -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 -1.496 118.807 120.400 -0.161 0.000 2.513 234 D HA -0.002 4.638 4.640 -0.000 0.000 0.222 234 D C 0.245 176.665 176.300 0.200 0.000 1.210 234 D CA -0.857 53.172 54.000 0.049 0.000 0.825 234 D CB -1.070 39.783 40.800 0.088 0.000 1.037 234 D HN 0.162 nan 8.370 nan 0.000 0.506 235 F N 0.712 120.720 119.950 0.097 0.000 3.006 235 F HA -0.301 4.226 4.527 -0.000 0.000 0.289 235 F C 1.787 177.669 175.800 0.136 0.000 0.772 235 F CA 0.800 58.880 58.000 0.133 0.000 1.162 235 F CB -2.476 36.504 39.000 -0.033 0.000 1.382 235 F HN 0.210 nan 8.300 nan 0.000 0.406 236 S N -0.412 115.398 115.700 0.183 0.000 2.522 236 S HA 0.120 4.590 4.470 -0.000 0.000 0.227 236 S C 0.702 175.357 174.600 0.092 0.000 0.986 236 S CA 0.756 59.031 58.200 0.124 0.000 0.929 236 S CB 0.356 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 -0.401 120.165 120.500 0.110 0.000 2.594 237 R HA 0.645 4.985 4.340 -0.000 0.000 0.265 237 R C -1.708 174.615 176.300 0.039 0.000 1.070 237 R CA -0.043 56.085 56.100 0.046 0.000 0.909 237 R CB 1.373 31.678 30.300 0.007 0.000 1.243 237 R HN 0.232 nan 8.270 nan 0.000 0.455 238 A N 2.489 125.270 122.820 -0.065 0.000 2.479 238 A HA 0.786 5.106 4.320 -0.000 0.000 0.296 238 A C -1.451 176.039 177.584 -0.157 0.000 1.121 238 A CA -0.677 51.236 52.037 -0.206 0.000 0.743 238 A CB 2.227 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 1.391 121.185 119.914 -0.200 0.000 2.483 239 V HA 0.426 4.546 4.120 -0.000 0.000 0.297 239 V C -1.032 175.005 176.094 -0.096 0.000 1.027 239 V CA -0.468 61.761 62.300 -0.117 0.000 0.855 239 V CB 1.355 33.111 31.823 -0.111 0.000 0.995 239 V HN 0.807 nan 8.190 nan 0.000 0.424 240 L N 5.229 126.431 121.223 -0.034 0.000 2.275 240 L HA 0.630 4.970 4.340 -0.000 0.000 0.288 240 L C -0.122 176.710 176.870 -0.063 0.000 1.046 240 L CA 0.178 54.983 54.840 -0.060 0.000 0.805 240 L CB 1.198 43.244 42.059 -0.022 0.000 1.193 240 L HN 0.857 nan 8.230 nan 0.000 0.426 241 E N 4.825 124.982 120.200 -0.071 0.000 2.218 241 E HA 0.752 5.102 4.350 -0.000 0.000 0.263 241 E C -1.792 174.796 176.600 -0.021 0.000 0.879 241 E CA -0.832 55.541 56.400 -0.046 0.000 0.762 241 E CB 1.567 31.238 29.700 -0.047 0.000 1.166 241 E HN 0.844 nan 8.360 nan 0.000 0.415 242 A N 4.386 127.200 122.820 -0.010 0.000 2.331 242 A HA 0.444 4.764 4.320 -0.000 0.000 0.320 242 A C -0.848 176.735 177.584 -0.003 0.000 1.138 242 A CA -0.708 51.344 52.037 0.026 0.000 0.790 242 A CB 1.459 20.485 19.000 0.044 0.000 1.206 242 A HN 0.735 nan 8.150 nan 0.000 0.470 243 E N 2.330 122.530 120.200 0.000 0.000 2.176 243 E HA 0.575 4.925 4.350 -0.000 0.000 0.267 243 E C -1.649 174.890 176.600 -0.102 0.000 0.893 243 E CA -0.409 55.944 56.400 -0.078 0.000 0.761 243 E CB 1.599 31.234 29.700 -0.108 0.000 1.133 243 E HN 0.410 nan 8.360 nan 0.000 0.409 244 V N 4.270 124.134 119.914 -0.082 0.000 2.604 244 V HA 0.362 4.482 4.120 -0.000 0.000 0.305 244 V C -0.497 175.625 176.094 0.046 0.000 1.043 244 V CA -0.808 61.480 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 4.128 123.982 119.800 0.090 0.000 2.377 245 Q HA 0.824 5.164 4.340 -0.000 0.000 0.271 245 Q C -0.849 175.230 176.000 0.131 0.000 1.077 245 Q CA -0.856 55.028 55.803 0.135 0.000 0.820 245 Q CB 2.847 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 -0.880 118.754 119.600 0.056 0.000 2.664 246 M HA 0.762 5.242 4.480 -0.000 0.000 0.314 246 M C -1.302 174.891 176.300 -0.177 0.000 1.200 246 M CA -0.428 54.790 55.300 -0.136 0.000 0.916 246 M CB 2.040 34.363 32.600 -0.461 0.000 1.717 246 M HN 0.561 nan 8.290 nan 0.000 0.470 247 C N 1.428 120.621 119.300 -0.177 0.000 2.614 247 C HA 1.023 5.483 4.460 -0.000 0.000 0.320 247 C C 0.589 175.474 174.990 -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 1.355 nan 8.230 nan 0.000 0.492 248 G N 3.388 112.101 108.800 -0.145 0.000 2.396 248 G HA2 0.121 4.081 3.960 -0.000 0.000 0.254 248 G HA3 0.121 4.081 3.960 -0.000 0.000 0.254 248 G C -1.505 173.309 174.900 -0.144 0.000 1.248 248 G CA -0.291 44.726 45.100 -0.138 0.000 1.033 248 G HN 0.854 nan 8.290 nan 0.000 0.502 249 E N -0.338 119.784 120.200 -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 0.631 nan 8.360 nan 0.000 0.399 250 L N 3.491 124.597 121.223 -0.194 0.000 2.455 250 L HA 0.257 4.597 4.340 -0.000 0.000 0.272 250 L C -0.068 176.679 176.870 -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 2.683 123.000 120.500 -0.306 0.000 2.548 251 R HA 0.115 4.455 4.340 -0.000 0.000 0.280 251 R C 0.064 176.138 176.300 -0.376 0.000 1.061 251 R CA -0.617 55.280 56.100 -0.339 0.000 0.915 251 R CB 1.588 31.479 30.300 -0.683 0.000 1.210 251 R HN 0.713 nan 8.270 nan 0.000 0.442 252 D N 1.783 122.106 120.400 -0.129 0.000 2.393 252 D HA -0.205 4.435 4.640 -0.000 0.000 0.220 252 D C 0.886 177.192 176.300 0.010 0.000 0.974 252 D CA 1.463 55.448 54.000 -0.026 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 -0.691 119.613 120.300 0.007 0.000 2.457 253 Y HA 0.393 4.943 4.550 -0.000 0.000 0.263 253 Y C 0.957 176.857 175.900 -0.001 0.000 1.164 253 Y CA -0.937 57.168 58.100 0.008 0.000 1.274 253 Y CB -0.321 38.145 38.460 0.009 0.000 1.097 253 Y HN -0.222 nan 8.280 nan 0.000 0.523 254 L N 2.944 123.982 121.223 -0.308 0.000 2.397 254 L HA 0.363 4.703 4.340 -0.000 0.000 0.271 254 L C 0.204 177.017 176.870 -0.095 0.000 1.148 254 L CA -0.100 54.623 54.840 -0.195 0.000 0.825 254 L CB 0.609 42.562 42.059 -0.178 0.000 1.117 254 L HN 0.252 nan 8.230 nan 0.000 0.456 255 R N 2.074 122.426 120.500 -0.248 0.000 2.799 255 R HA 0.749 5.089 4.340 -0.000 0.000 0.270 255 R C -1.544 174.433 176.300 -0.538 0.000 1.010 255 R CA -0.833 55.026 56.100 -0.403 0.000 0.916 255 R CB 2.388 32.416 30.300 -0.454 0.000 1.228 255 R HN 0.283 nan 8.270 nan 0.000 0.469 256 V N 0.789 120.480 119.914 -0.370 0.000 2.686 256 V HA 0.490 4.610 4.120 -0.000 0.000 0.306 256 V C -0.616 175.456 176.094 -0.036 0.000 1.065 256 V CA -0.609 61.551 62.300 -0.233 0.000 0.894 256 V CB 2.420 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 3.575 118.184 114.554 0.092 0.000 2.861 257 T HA 0.721 5.071 4.350 -0.000 0.000 0.287 257 T C -0.856 173.851 174.700 0.011 0.000 1.003 257 T CA -0.536 61.615 62.100 0.084 0.000 0.977 257 T CB 1.924 70.877 68.868 0.142 0.000 0.996 257 T HN 0.374 nan 8.240 nan 0.000 0.448 258 V N 3.060 122.965 119.914 -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 5.037 120.737 115.700 0.001 0.000 2.526 259 S HA 0.863 5.333 4.470 -0.000 0.000 0.293 259 S C -1.138 173.435 174.600 -0.044 0.000 1.092 259 S CA -0.771 57.387 58.200 -0.071 0.000 0.980 259 S CB 2.386 65.579 63.200 -0.011 0.000 1.048 259 S HN 0.474 nan 8.310 nan 0.000 0.483 260 L N 2.101 123.190 121.223 -0.225 0.000 2.322 260 L HA 0.731 5.071 4.340 -0.000 0.000 0.281 260 L C -1.840 174.863 176.870 -0.278 0.000 1.014 260 L CA -0.459 54.328 54.840 -0.089 0.000 0.815 260 L CB 0.798 42.830 42.059 -0.044 0.000 1.247 260 L HN 0.891 nan 8.230 nan 0.000 0.421 261 W N 3.273 124.668 121.300 0.158 0.000 2.736 261 W HA 0.574 5.234 4.660 -0.000 0.000 0.335 261 W C -0.489 176.158 176.519 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 0.682 176.773 176.000 0.151 0.000 1.064 262 Q CA 0.598 56.499 55.803 0.164 0.000 0.860 262 Q CB 0.344 29.132 28.738 0.084 0.000 1.145 262 Q HN 0.733 nan 8.270 nan 0.000 0.515 263 G N 2.323 111.204 108.800 0.135 0.000 2.595 263 G HA2 -0.365 3.594 3.960 -0.000 0.000 0.297 263 G HA3 -0.365 3.594 3.960 -0.000 0.000 0.297 263 G C 0.666 175.637 174.900 0.119 0.000 1.181 263 G CA 0.322 45.468 45.100 0.077 0.000 0.963 263 G HN 0.516 nan 8.290 nan 0.000 0.541 264 E N 1.559 121.832 120.200 0.122 0.000 2.385 264 E HA 0.196 4.545 4.350 -0.000 0.000 0.194 264 E C 1.262 178.082 176.600 0.367 0.000 1.013 264 E CA 0.924 57.408 56.400 0.140 0.000 0.866 264 E CB -0.124 29.624 29.700 0.080 0.000 0.832 264 E HN 0.473 nan 8.360 nan 0.000 0.500 265 T N 1.361 116.129 114.554 0.357 0.000 2.806 265 T HA 0.176 4.526 4.350 -0.000 0.000 0.290 265 T C 0.088 174.925 174.700 0.228 0.000 0.966 265 T CA -0.348 61.932 62.100 0.301 0.000 1.060 265 T CB 1.586 70.533 68.868 0.132 0.000 0.927 265 T HN -0.069 nan 8.240 nan 0.000 0.485 266 Q N 2.866 122.516 119.800 -0.249 0.000 2.296 266 Q HA 0.287 4.627 4.340 -0.000 0.000 0.257 266 Q C 0.317 176.042 176.000 -0.459 0.000 0.942 266 Q CA -0.396 54.781 55.803 -1.044 0.000 0.939 266 Q CB 0.928 28.753 28.738 -1.520 0.000 1.198 266 Q HN 0.583 nan 8.270 nan 0.000 0.429 267 V N 2.309 121.996 119.914 -0.379 0.000 2.685 267 V HA 0.333 4.453 4.120 -0.000 0.000 0.244 267 V C 0.418 176.402 176.094 -0.184 0.000 1.054 267 V CA 0.964 63.165 62.300 -0.164 0.000 1.076 267 V CB 0.098 31.916 31.823 -0.008 0.000 0.725 267 V HN 0.761 nan 8.190 nan 0.000 0.467 268 A N -1.203 121.463 122.820 -0.256 0.000 2.599 268 A HA 0.750 5.070 4.320 -0.000 0.000 0.294 268 A C -0.820 176.635 177.584 -0.216 0.000 1.055 268 A CA -0.048 51.873 52.037 -0.194 0.000 0.683 268 A CB 1.737 20.660 19.000 -0.129 0.000 1.278 268 A HN 0.029 nan 8.150 nan 0.000 0.412 269 S N -1.077 114.529 115.700 -0.157 0.000 2.579 269 S HA 0.895 5.365 4.470 -0.000 0.000 0.272 269 S C -0.492 174.059 174.600 -0.082 0.000 1.141 269 S CA 0.146 58.271 58.200 -0.125 0.000 0.843 269 S CB 1.964 65.086 63.200 -0.130 0.000 1.122 269 S HN 2.314 nan 8.310 nan 0.000 0.468 270 G N 1.216 109.979 108.800 -0.061 0.000 2.759 270 G HA2 0.596 4.555 3.960 -0.000 0.000 0.297 270 G HA3 0.596 4.555 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 -0.202 114.336 114.554 -0.025 0.000 2.900 271 T HA 0.910 5.260 4.350 -0.000 0.000 0.295 271 T C -0.169 174.506 174.700 -0.041 0.000 1.044 271 T CA 0.090 62.186 62.100 -0.007 0.000 0.995 271 T CB 1.869 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 2.917 125.687 122.820 -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 1.149 20.070 19.000 -0.132 0.000 1.285 272 A HN 0.537 nan 8.150 nan 0.000 0.427 273 P HA 0.656 nan 4.420 nan 0.000 0.292 273 P C -0.771 176.442 177.300 -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 32.276 31.700 -0.024 0.000 1.139 274 F N 0.826 120.726 119.950 -0.083 0.000 2.535 274 F HA 0.413 4.940 4.527 -0.000 0.000 0.332 274 F C 1.622 177.400 175.800 -0.036 0.000 1.208 274 F CA 1.925 59.887 58.000 -0.062 0.000 1.330 274 F CB -0.191 38.765 39.000 -0.074 0.000 1.167 274 F HN 0.629 nan 8.300 nan 0.000 0.597 275 G N 0.951 109.877 108.800 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 -0.481 174.463 174.900 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 0.634 109.495 108.800 0.100 0.000 2.537 276 G HA2 0.754 4.714 3.960 -0.000 0.000 0.297 276 G HA3 0.754 4.714 3.960 -0.000 0.000 0.297 276 G C 0.063 174.996 174.900 0.055 0.000 1.310 276 G CA -0.321 44.829 45.100 0.084 0.000 1.027 276 G HN 0.896 nan 8.290 nan 0.000 0.505 277 E N -0.817 119.413 120.200 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 0.795 30.509 29.700 0.022 0.000 1.044 277 E HN 0.232 nan 8.360 nan 0.000 0.420 278 I N 1.693 122.270 120.570 0.011 0.000 2.710 278 I HA -0.058 4.112 4.170 -0.000 0.000 0.286 278 I C 1.003 177.124 176.117 0.007 0.000 1.181 278 I CA 0.579 61.879 61.300 -0.001 0.000 1.430 278 I CB 0.147 38.143 38.000 -0.007 0.000 1.367 278 I HN 0.651 nan 8.210 nan 0.000 0.577 279 I N 1.176 121.743 120.570 -0.005 0.000 4.124 279 I HA 0.416 4.586 4.170 -0.000 0.000 0.311 279 I C 0.005 176.119 176.117 -0.005 0.000 1.259 279 I CA 0.469 61.776 61.300 0.011 0.000 1.315 279 I CB 0.134 38.164 38.000 0.051 0.000 1.223 279 I HN 0.618 nan 8.210 nan 0.000 0.441 280 D N -0.545 119.839 120.400 -0.027 0.000 2.946 280 D HA 0.208 4.848 4.640 -0.000 0.000 0.337 280 D C 0.483 176.765 176.300 -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 -0.827 119.358 120.200 -0.025 0.000 2.209 281 E HA -0.075 4.275 4.350 -0.000 0.000 0.196 281 E C 1.591 178.171 176.600 -0.032 0.000 0.993 281 E CA 1.169 57.555 56.400 -0.024 0.000 0.819 281 E CB -0.032 29.657 29.700 -0.018 0.000 0.745 281 E HN 0.250 nan 8.360 nan 0.000 0.477 282 R N -0.468 120.005 120.500 -0.046 0.000 2.276 282 R HA 0.224 4.564 4.340 -0.000 0.000 0.196 282 R C 0.880 177.138 176.300 -0.071 0.000 0.961 282 R CA 0.699 56.765 56.100 -0.057 0.000 1.024 282 R CB 0.726 30.986 30.300 -0.067 0.000 0.940 282 R HN 0.213 nan 8.270 nan 0.000 0.480 283 G N -0.500 108.256 108.800 -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 44.417 45.100 -0.073 0.000 1.170 283 G HN 0.401 nan 8.290 nan 0.000 0.511 284 G N -1.812 106.922 108.800 -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 -1.524 173.228 174.900 -0.246 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 0.768 121.081 120.300 0.022 0.000 2.404 285 Y HA 0.449 4.999 4.550 -0.000 0.000 0.344 285 Y C 1.373 177.301 175.900 0.046 0.000 0.970 285 Y CA 0.019 58.137 58.100 0.031 0.000 1.180 285 Y CB 1.875 40.360 38.460 0.041 0.000 1.138 285 Y HN 0.525 nan 8.280 nan 0.000 0.510 286 A N 1.851 124.751 122.820 0.134 0.000 1.968 286 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 286 A C 1.279 178.951 177.584 0.147 0.000 1.169 286 A CA 1.497 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 0.787 nan 8.150 nan 0.000 0.446 287 D N -0.526 119.961 120.400 0.144 0.000 2.491 287 D HA 0.166 4.806 4.640 -0.000 0.000 0.228 287 D C 0.331 176.809 176.300 0.295 0.000 1.183 287 D CA -0.131 53.894 54.000 0.041 0.000 0.827 287 D CB -0.111 40.658 40.800 -0.051 0.000 0.989 287 D HN 0.424 nan 8.370 nan 0.000 0.494 288 R N -0.953 119.818 120.500 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 -1.228 55.069 56.100 0.328 0.000 0.916 288 R CB 2.817 33.167 30.300 0.083 0.000 1.228 288 R HN -0.014 nan 8.270 nan 0.000 0.469 289 V N 0.160 120.034 119.914 -0.068 0.000 3.000 289 V HA 0.500 4.620 4.120 -0.000 0.000 0.300 289 V C -1.611 174.392 176.094 -0.152 0.000 1.251 289 V CA -0.249 61.938 62.300 -0.189 0.000 0.972 289 V CB 2.714 34.258 31.823 -0.466 0.000 1.065 289 V HN 0.833 nan 8.190 nan 0.000 0.431 290 T N 7.315 121.806 114.554 -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 -0.269 61.784 62.100 -0.078 0.000 0.960 290 T CB 1.186 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 2.925 124.103 121.223 -0.074 0.000 2.330 291 L HA 0.647 4.987 4.340 -0.000 0.000 0.271 291 L C 0.404 177.244 176.870 -0.051 0.000 1.013 291 L CA -0.683 54.117 54.840 -0.067 0.000 0.816 291 L CB 1.232 43.247 42.059 -0.074 0.000 1.287 291 L HN 0.414 nan 8.230 nan 0.000 0.435 292 R N 2.837 123.307 120.500 -0.050 0.000 2.451 292 R HA 0.660 5.000 4.340 -0.000 0.000 0.307 292 R C -1.499 174.771 176.300 -0.050 0.000 0.965 292 R CA -0.617 55.455 56.100 -0.048 0.000 0.865 292 R CB 1.461 31.733 30.300 -0.046 0.000 1.174 292 R HN 0.477 nan 8.270 nan 0.000 0.455 293 L N 2.619 123.813 121.223 -0.049 0.000 2.307 293 L HA 0.460 4.800 4.340 -0.000 0.000 0.284 293 L C 0.055 176.894 176.870 -0.053 0.000 1.023 293 L CA -0.944 53.865 54.840 -0.051 0.000 0.810 293 L CB 1.492 43.521 42.059 -0.051 0.000 1.231 293 L HN 0.466 nan 8.230 nan 0.000 0.423 294 N N 1.928 120.591 118.700 -0.061 0.000 2.498 294 N HA 0.471 5.210 4.740 -0.000 0.000 0.287 294 N C -1.003 174.455 175.510 -0.087 0.000 1.097 294 N CA -0.313 52.696 53.050 -0.068 0.000 0.973 294 N CB 2.847 41.298 38.487 -0.061 0.000 1.153 294 N HN 0.219 nan 8.380 nan 0.000 0.472 295 V N 2.021 121.868 119.914 -0.112 0.000 2.569 295 V HA 0.192 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 2.062 33.692 31.823 -0.322 0.000 1.002 295 V HN 0.535 nan 8.190 nan 0.000 0.424 296 E N 3.706 123.847 120.200 -0.099 0.000 2.301 296 E HA 0.281 4.631 4.350 -0.000 0.000 0.275 296 E C -0.091 176.479 176.600 -0.050 0.000 1.030 296 E CA -0.391 55.974 56.400 -0.057 0.000 0.852 296 E CB 0.661 30.340 29.700 -0.035 0.000 1.060 296 E HN 0.711 nan 8.360 nan 0.000 0.401 297 N N 1.340 120.033 118.700 -0.012 0.000 2.689 297 N HA -0.131 4.609 4.740 -0.000 0.000 0.263 297 N C -2.386 173.119 175.510 -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 0.100 177.416 177.300 0.026 0.000 1.230 298 P CA 0.165 63.154 63.100 -0.185 0.000 0.788 298 P CB 0.853 32.191 31.700 -0.603 0.000 0.949 299 K N 1.346 121.843 120.400 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 0.492 33.064 32.500 0.120 0.000 1.091 299 K HN 0.382 nan 8.250 nan 0.000 0.467 300 L N 2.379 123.689 121.223 0.145 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 0.142 0.000 1.133 300 L CA -0.795 54.140 54.840 0.158 0.000 0.812 300 L CB 0.417 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 2.890 124.228 121.300 0.062 0.000 2.376 301 W HA 0.497 5.157 4.660 -0.000 0.000 0.322 301 W C -0.299 176.173 176.519 -0.079 0.000 1.160 301 W CA 0.129 57.488 57.345 0.024 0.000 1.218 301 W CB 1.268 30.789 29.460 0.102 0.000 1.205 301 W HN 0.609 nan 8.180 nan 0.000 0.559 302 S N 2.790 117.847 115.700 -1.071 0.000 2.588 302 S HA 0.610 5.080 4.470 -0.000 0.000 0.269 302 S C 0.027 173.812 174.600 -1.358 0.000 1.157 302 S CA -0.439 57.239 58.200 -0.869 0.000 0.824 302 S CB 1.260 64.200 63.200 -0.433 0.000 1.126 302 S HN 0.815 nan 8.310 nan 0.000 0.464 303 A N 0.341 122.570 122.820 -0.985 0.000 2.066 303 A HA 0.044 4.363 4.320 -0.000 0.000 0.218 303 A C 1.686 178.925 177.584 -0.574 0.000 1.157 303 A CA 1.268 52.693 52.037 -1.021 0.000 0.670 303 A CB -0.778 17.385 19.000 -1.396 0.000 0.804 303 A HN 0.863 nan 8.150 nan 0.000 0.453 304 E N -0.807 119.199 120.200 -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 0.777 57.060 56.400 -0.195 0.000 0.806 304 E CB 0.021 29.746 29.700 0.042 0.000 0.750 304 E HN 0.604 nan 8.360 nan 0.000 0.458 305 I N 0.948 121.310 120.570 -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 -1.852 59.269 61.300 -0.299 0.000 1.074 305 I CB 2.154 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 -0.498 176.793 177.300 -0.015 0.000 1.756 306 P CA -0.098 62.678 63.100 -0.539 0.000 0.990 306 P CB -0.370 31.233 31.700 -0.162 0.000 1.973 307 N N 1.787 120.498 118.700 0.018 0.000 2.468 307 N HA 0.129 4.869 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 0.371 53.505 53.050 0.141 0.000 0.928 307 N CB 0.620 39.173 38.487 0.110 0.000 1.059 307 N HN 0.266 nan 8.380 nan 0.000 0.467 308 L N 2.370 123.716 121.223 0.205 0.000 2.319 308 L HA 0.525 4.865 4.340 -0.000 0.000 0.267 308 L C -0.804 176.143 176.870 0.127 0.000 1.011 308 L CA -0.880 54.111 54.840 0.252 0.000 0.818 308 L CB 1.164 43.345 42.059 0.204 0.000 1.316 308 L HN 0.400 nan 8.230 nan 0.000 0.432 309 Y N -0.027 120.402 120.300 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 0.179 0.000 1.018 309 Y CA -0.809 57.425 58.100 0.223 0.000 1.050 309 Y CB 2.096 40.742 38.460 0.311 0.000 1.280 309 Y HN 0.385 nan 8.280 nan 0.000 0.474 310 R N 1.243 121.979 120.500 0.394 0.000 2.445 310 R HA 0.869 5.209 4.340 -0.000 0.000 0.308 310 R C -1.499 174.993 176.300 0.321 0.000 0.961 310 R CA -0.666 55.600 56.100 0.278 0.000 0.862 310 R CB 1.112 31.502 30.300 0.149 0.000 1.144 310 R HN 0.804 nan 8.270 nan 0.000 0.447 311 A N 3.800 126.751 122.820 0.218 0.000 2.331 311 A HA 0.589 4.909 4.320 -0.000 0.000 0.320 311 A C -1.113 176.545 177.584 0.124 0.000 1.138 311 A CA -0.657 51.495 52.037 0.192 0.000 0.790 311 A CB 1.509 20.599 19.000 0.151 0.000 1.206 311 A HN 0.456 nan 8.150 nan 0.000 0.470 312 V N 2.170 122.162 119.914 0.129 0.000 2.448 312 V HA 0.526 4.646 4.120 -0.000 0.000 0.295 312 V C -0.375 175.705 176.094 -0.023 0.000 1.025 312 V CA -0.692 61.628 62.300 0.034 0.000 0.859 312 V CB 1.398 33.248 31.823 0.044 0.000 0.988 312 V HN 0.582 nan 8.190 nan 0.000 0.431 313 V N 5.007 124.848 119.914 -0.121 0.000 2.334 313 V HA 0.439 4.559 4.120 -0.000 0.000 0.281 313 V C -0.035 176.002 176.094 -0.096 0.000 1.016 313 V CA -0.480 61.719 62.300 -0.169 0.000 0.832 313 V CB 1.147 32.722 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 0.576 4.926 4.350 -0.000 0.000 0.267 314 E C -1.111 175.578 176.600 0.147 0.000 0.893 314 E CA -1.069 55.373 56.400 0.069 0.000 0.761 314 E CB 2.789 32.544 29.700 0.093 0.000 1.133 314 E HN 0.411 nan 8.360 nan 0.000 0.409 315 L N 5.318 126.597 121.223 0.093 0.000 2.255 315 L HA 0.284 4.624 4.340 -0.000 0.000 0.289 315 L C -0.686 176.248 176.870 0.106 0.000 1.046 315 L CA 0.068 54.936 54.840 0.047 0.000 0.816 315 L CB -0.098 41.967 42.059 0.009 0.000 1.197 315 L HN 0.698 nan 8.230 nan 0.000 0.427 316 H N 1.205 120.294 119.070 0.032 0.000 2.942 316 H HA 0.617 5.173 4.556 -0.000 0.000 0.316 316 H C -0.965 174.405 175.328 0.071 0.000 1.323 316 H CA -0.342 55.732 56.048 0.044 0.000 1.144 316 H CB 0.987 30.770 29.762 0.035 0.000 1.866 316 H HN 0.474 nan 8.280 nan 0.000 0.545 317 T N -2.824 111.866 114.554 0.226 0.000 2.927 317 T HA 0.526 4.876 4.350 -0.000 0.000 0.281 317 T C 1.440 176.317 174.700 0.295 0.000 0.998 317 T CA -0.196 62.048 62.100 0.240 0.000 1.019 317 T CB 1.390 70.448 68.868 0.317 0.000 1.061 317 T HN 0.776 nan 8.240 nan 0.000 0.518 318 A N 1.009 123.973 122.820 0.240 0.000 2.024 318 A HA -0.086 4.234 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 1.978 54.132 52.037 0.194 0.000 0.643 318 A CB -1.283 17.813 19.000 0.160 0.000 0.806 318 A HN 1.035 nan 8.150 nan 0.000 0.451 319 D N -2.968 117.517 120.400 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 55.411 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 -1.272 107.603 108.800 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 0.328 175.260 174.900 0.054 0.000 1.000 320 G CA -0.042 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 0.507 175.289 174.700 0.138 0.000 0.958 321 T CA 0.154 62.310 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 4.861 126.143 121.223 0.097 0.000 2.331 322 L HA 0.256 4.596 4.340 -0.000 0.000 0.278 322 L C 0.619 177.548 176.870 0.099 0.000 1.106 322 L CA -0.463 54.448 54.840 0.118 0.000 0.824 322 L CB 0.463 42.562 42.059 0.066 0.000 1.142 322 L HN 0.578 nan 8.230 nan 0.000 0.443 323 I N 3.322 123.951 120.570 0.099 0.000 2.494 323 I HA 0.104 4.274 4.170 -0.000 0.000 0.250 323 I C 0.603 176.735 176.117 0.025 0.000 1.112 323 I CA 0.802 62.132 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 0.802 nan 8.210 nan 0.000 0.431 324 E N -0.595 119.624 120.200 0.032 0.000 2.421 324 E HA 0.675 5.024 4.350 -0.000 0.000 0.278 324 E C -1.674 174.950 176.600 0.040 0.000 1.141 324 E CA -1.035 55.381 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 -1.255 176.454 177.584 0.208 0.000 1.073 325 A CA -0.687 51.406 52.037 0.094 0.000 0.700 325 A CB 1.909 20.953 19.000 0.072 0.000 1.296 325 A HN 0.515 nan 8.150 nan 0.000 0.405 326 E N -0.447 119.807 120.200 0.090 0.000 2.393 326 E HA 0.767 5.116 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 -0.622 55.901 56.400 0.204 0.000 0.773 326 E CB 2.510 32.278 29.700 0.113 0.000 1.275 326 E HN 1.162 nan 8.360 nan 0.000 0.451 327 A N 0.179 123.135 122.820 0.227 0.000 2.588 327 A HA 0.858 5.178 4.320 -0.000 0.000 0.290 327 A C -1.118 176.646 177.584 0.299 0.000 1.136 327 A CA -0.393 51.711 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 -0.814 118.621 119.300 0.226 0.000 3.292 328 C HA 0.728 5.188 4.460 -0.000 0.000 0.338 328 C C -1.544 173.533 174.990 0.144 0.000 1.323 328 C CA -0.987 58.157 59.018 0.211 0.000 1.232 328 C CB 0.888 28.767 27.740 0.232 0.000 1.517 328 C HN 0.829 nan 8.230 nan 0.000 0.470 329 D N 0.831 121.294 120.400 0.105 0.000 2.264 329 D HA 0.572 5.212 4.640 -0.000 0.000 0.249 329 D C -0.506 175.830 176.300 0.061 0.000 1.070 329 D CA 0.155 54.217 54.000 0.103 0.000 0.912 329 D CB 2.080 42.941 40.800 0.101 0.000 1.193 329 D HN 0.529 nan 8.370 nan 0.000 0.427 330 V N 0.696 120.675 119.914 0.107 0.000 2.656 330 V HA 0.646 4.766 4.120 -0.000 0.000 0.307 330 V C 0.369 176.502 176.094 0.065 0.000 1.051 330 V CA -0.732 61.577 62.300 0.015 0.000 0.893 330 V CB 2.197 34.017 31.823 -0.004 0.000 0.999 330 V HN 0.645 nan 8.190 nan 0.000 0.426 331 G N 2.762 111.488 108.800 -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 -1.241 173.646 174.900 -0.022 0.000 1.316 331 G CA -0.399 44.701 45.100 0.001 0.000 0.944 331 G HN 0.409 nan 8.290 nan 0.000 0.489 332 F N 2.259 122.390 119.950 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 -0.299 57.934 58.000 0.388 0.000 1.160 332 F CB 1.104 40.352 39.000 0.412 0.000 1.186 332 F HN 0.552 nan 8.300 nan 0.000 0.526 333 R N 1.212 122.014 120.500 0.502 0.000 2.634 333 R HA 0.462 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 -1.073 55.172 56.100 0.242 0.000 0.898 333 R CB 1.424 31.886 30.300 0.270 0.000 1.253 333 R HN 0.458 nan 8.270 nan 0.000 0.461 334 E N 2.100 122.345 120.200 0.074 0.000 2.199 334 E HA 0.474 4.824 4.350 -0.000 0.000 0.265 334 E C -1.290 175.366 176.600 0.093 0.000 0.882 334 E CA -1.019 55.479 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 5.489 125.457 119.914 0.090 0.000 2.417 335 V HA 0.584 4.704 4.120 -0.000 0.000 0.291 335 V C -0.182 175.944 176.094 0.054 0.000 1.024 335 V CA -0.558 61.769 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 4.460 124.988 120.500 0.046 0.000 2.692 336 R HA 0.689 5.029 4.340 -0.000 0.000 0.269 336 R C -2.103 174.217 176.300 0.034 0.000 1.030 336 R CA -0.864 55.266 56.100 0.050 0.000 0.882 336 R CB 1.742 32.085 30.300 0.072 0.000 1.250 336 R HN 0.531 nan 8.270 nan 0.000 0.465 337 I N 1.832 122.423 120.570 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 60.959 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 0.667 nan 8.210 nan 0.000 0.461 338 E N 6.264 126.479 120.200 0.024 0.000 2.263 338 E HA 0.222 4.572 4.350 -0.000 0.000 0.268 338 E C -0.386 176.225 176.600 0.018 0.000 0.884 338 E CA -0.626 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 3.440 122.151 118.700 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 -1.987 106.818 108.800 0.008 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 0.622 45.722 45.100 0.001 0.000 0.641 340 G HN 0.520 nan 8.290 nan 0.000 0.533 341 L N -0.161 121.058 121.223 -0.008 0.000 2.354 341 L HA 0.747 5.087 4.340 -0.000 0.000 0.269 341 L C -0.101 176.758 176.870 -0.018 0.000 1.005 341 L CA -1.360 53.467 54.840 -0.021 0.000 0.819 341 L CB 1.898 43.944 42.059 -0.022 0.000 1.311 341 L HN 0.077 nan 8.230 nan 0.000 0.423 342 L N 3.743 124.943 121.223 -0.038 0.000 2.260 342 L HA 0.514 4.854 4.340 -0.000 0.000 0.289 342 L C -0.861 175.983 176.870 -0.043 0.000 1.057 342 L CA 0.297 55.114 54.840 -0.039 0.000 0.811 342 L CB 0.480 42.502 42.059 -0.061 0.000 1.184 342 L HN 0.378 nan 8.230 nan 0.000 0.429 343 L N 5.674 126.886 121.223 -0.017 0.000 2.333 343 L HA 0.612 4.952 4.340 -0.000 0.000 0.269 343 L C -0.870 176.001 176.870 0.001 0.000 1.010 343 L CA -0.842 53.995 54.840 -0.004 0.000 0.818 343 L CB 1.993 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 2.693 123.927 121.223 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 0.030 0.000 1.249 344 L HN 0.648 nan 8.230 nan 0.000 0.409 345 N N 4.116 122.742 118.700 -0.123 0.000 2.716 345 N HA -0.226 4.513 4.740 -0.000 0.000 0.250 345 N C 0.895 176.163 175.510 -0.402 0.000 1.033 345 N CA 1.412 54.135 53.050 -0.546 0.000 0.727 345 N CB -1.160 36.891 38.487 -0.727 0.000 0.950 345 N HN 1.172 nan 8.380 nan 0.000 0.541 346 G N -1.992 106.794 108.800 -0.023 0.000 2.225 346 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.254 346 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.254 346 G C -0.057 174.880 174.900 0.063 0.000 0.988 346 G CA 0.841 46.007 45.100 0.109 0.000 0.625 346 G HN 0.501 nan 8.290 nan 0.000 0.527 347 K N 0.997 121.427 120.400 0.049 0.000 2.208 347 K HA 0.547 4.867 4.320 -0.000 0.000 0.247 347 K C -3.018 173.562 176.600 -0.033 0.000 0.953 347 K CA -2.111 54.163 56.287 -0.021 0.000 0.837 347 K CB 2.675 35.085 32.500 -0.150 0.000 1.131 347 K HN 0.048 nan 8.250 nan 0.000 0.431 348 P HA 0.216 nan 4.420 nan 0.000 0.282 348 P C -0.251 176.988 177.300 -0.101 0.000 1.274 348 P CA -0.175 62.882 63.100 -0.072 0.000 0.770 348 P CB 0.552 32.211 31.700 -0.069 0.000 0.867 349 L N 3.413 124.570 121.223 -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 -0.805 53.959 54.840 -0.128 0.000 0.808 349 L CB 0.569 42.520 42.059 -0.181 0.000 1.136 349 L HN 0.236 nan 8.230 nan 0.000 0.466 350 L N 2.783 123.936 121.223 -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 0.998 43.001 42.059 -0.094 0.000 1.203 350 L HN 0.218 nan 8.230 nan 0.000 0.429 351 I N 4.516 124.964 120.570 -0.203 0.000 2.436 351 I HA 0.213 4.383 4.170 -0.000 0.000 0.289 351 I C 0.566 176.610 176.117 -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 0.552 nan 8.210 nan 0.000 0.516 352 R N 4.745 125.251 120.500 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 0.751 30.948 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 -1.264 173.926 174.900 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 0.226 120.463 119.914 0.538 0.000 3.012 354 V HA 0.462 4.582 4.120 -0.000 0.000 0.307 354 V C -1.167 175.071 176.094 0.240 0.000 1.166 354 V CA -1.197 61.293 62.300 0.316 0.000 0.974 354 V CB 2.243 33.971 31.823 -0.158 0.000 1.040 354 V HN 0.783 nan 8.190 nan 0.000 0.428 355 N N 4.270 123.019 118.700 0.081 0.000 2.518 355 N HA 0.519 5.259 4.740 -0.000 0.000 0.283 355 N C -0.800 174.500 175.510 -0.351 0.000 1.119 355 N CA -0.423 52.531 53.050 -0.159 0.000 0.983 355 N CB 1.757 40.136 38.487 -0.180 0.000 1.139 355 N HN 0.670 nan 8.380 nan 0.000 0.465 356 R N 1.686 121.942 120.500 -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 55.317 56.100 -0.377 0.000 0.909 356 R CB 1.091 31.176 30.300 -0.357 0.000 1.195 356 R HN 0.579 nan 8.270 nan 0.000 0.438 357 H N 2.000 120.917 119.070 -0.257 0.000 2.495 357 H HA 0.172 4.728 4.556 -0.000 0.000 0.350 357 H C -0.549 174.760 175.328 -0.030 0.000 1.202 357 H CA -0.214 55.770 56.048 -0.106 0.000 1.322 357 H CB 1.668 31.423 29.762 -0.011 0.000 1.544 357 H HN 0.565 nan 8.280 nan 0.000 0.565 358 E N 1.653 122.034 120.200 0.302 0.000 1.963 358 E HA 0.106 4.456 4.350 -0.000 0.000 0.274 358 E C -0.767 175.957 176.600 0.207 0.000 1.061 358 E CA 0.007 56.497 56.400 0.151 0.000 0.847 358 E CB 0.150 29.946 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 -1.648 173.706 175.328 0.043 0.000 1.085 359 H CA -0.695 55.383 56.048 0.051 0.000 1.253 359 H CB 1.028 30.810 29.762 0.035 0.000 1.757 359 H HN 0.362 nan 8.280 nan 0.000 0.523 360 H N 6.527 125.274 119.070 -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 2.440 32.057 29.762 -0.240 0.000 1.552 360 H HN 0.558 nan 8.280 nan 0.000 0.522 361 P HA -0.154 nan 4.420 nan 0.000 0.216 361 P C 1.392 178.580 177.300 -0.187 0.000 1.150 361 P CA 1.019 63.930 63.100 -0.314 0.000 0.843 361 P CB 0.798 32.340 31.700 -0.263 0.000 0.787 362 L N -2.010 119.233 121.223 0.033 0.000 2.262 362 L HA 0.051 4.391 4.340 -0.000 0.000 0.197 362 L C 2.445 179.227 176.870 -0.147 0.000 1.073 362 L CA 0.846 55.634 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 -0.485 118.510 119.070 -0.125 0.000 2.547 363 H HA 0.161 4.717 4.556 -0.000 0.000 0.266 363 H C 1.449 176.644 175.328 -0.223 0.000 0.988 363 H CA 0.079 55.959 56.048 -0.280 0.000 1.147 363 H CB 0.240 29.713 29.762 -0.482 0.000 1.365 363 H HN 0.471 nan 8.280 nan 0.000 0.589 364 G N 1.550 110.253 108.800 -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 0.350 45.289 45.100 -0.267 0.000 0.968 364 G HN 0.477 nan 8.290 nan 0.000 0.544 365 Q N 0.080 119.785 119.800 -0.158 0.000 2.247 365 Q HA 0.444 4.784 4.340 -0.000 0.000 0.205 365 Q C 0.305 176.325 176.000 0.034 0.000 0.896 365 Q CA -0.036 55.702 55.803 -0.107 0.000 0.950 365 Q CB 0.768 29.334 28.738 -0.287 0.000 1.054 365 Q HN 0.372 nan 8.270 nan 0.000 0.482 366 V N 1.865 121.806 119.914 0.046 0.000 2.432 366 V HA 0.212 4.332 4.120 -0.000 0.000 0.275 366 V C 0.127 176.259 176.094 0.065 0.000 1.043 366 V CA -0.255 62.097 62.300 0.087 0.000 0.925 366 V CB 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 4.440 124.078 119.600 0.064 0.000 2.471 367 M HA 0.563 5.043 4.480 -0.000 0.000 0.309 367 M C -0.447 175.810 176.300 -0.072 0.000 1.186 367 M CA -0.602 54.695 55.300 -0.005 0.000 1.008 367 M CB 1.455 34.009 32.600 -0.077 0.000 1.551 367 M HN 0.973 nan 8.290 nan 0.000 0.477 368 D N -2.281 118.082 120.400 -0.062 0.000 2.655 368 D HA 0.213 4.853 4.640 -0.000 0.000 0.229 368 D C 0.195 176.490 176.300 -0.008 0.000 1.229 368 D CA -0.691 53.279 54.000 -0.049 0.000 0.807 368 D CB 1.294 42.100 40.800 0.010 0.000 1.514 368 D HN 0.665 nan 8.370 nan 0.000 0.444 369 E N 0.120 120.325 120.200 0.008 0.000 2.086 369 E HA -0.410 3.940 4.350 -0.000 0.000 0.205 369 E C 1.627 178.281 176.600 0.091 0.000 1.027 369 E CA 1.844 58.282 56.400 0.064 0.000 0.830 369 E CB 0.064 29.814 29.700 0.084 0.000 0.751 369 E HN 0.571 nan 8.360 nan 0.000 0.456 370 Q N -0.330 119.521 119.800 0.087 0.000 2.077 370 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 0.989 370 Q CA 2.505 58.366 55.803 0.097 0.000 0.853 370 Q CB -0.333 28.462 28.738 0.095 0.000 0.907 370 Q HN 0.375 nan 8.270 nan 0.000 0.418 371 T N 1.162 115.786 114.554 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 1.635 63.812 62.100 0.130 0.000 1.150 371 T CB -0.246 68.715 68.868 0.155 0.000 0.864 371 T HN 0.299 nan 8.240 nan 0.000 0.427 372 M N 0.713 120.394 119.600 0.134 0.000 2.113 372 M HA -0.182 4.298 4.480 -0.000 0.000 0.255 372 M C 2.450 178.879 176.300 0.215 0.000 1.073 372 M CA 1.683 57.126 55.300 0.238 0.000 1.091 372 M CB -0.925 31.844 32.600 0.281 0.000 1.309 372 M HN 0.125 nan 8.290 nan 0.000 0.407 373 V N -0.135 119.852 119.914 0.122 0.000 2.332 373 V HA -0.306 3.814 4.120 -0.000 0.000 0.248 373 V C 2.289 178.378 176.094 -0.008 0.000 1.055 373 V CA 2.054 64.359 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 58.137 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 0.247 120.749 120.400 0.172 0.000 2.116 375 D HA -0.189 4.451 4.640 -0.000 0.000 0.193 375 D C 1.884 178.178 176.300 -0.010 0.000 0.998 375 D CA 1.218 55.341 54.000 0.206 0.000 0.836 375 D CB -0.312 40.582 40.800 0.157 0.000 0.951 375 D HN 0.336 nan 8.370 nan 0.000 0.449 376 I N 0.643 121.182 120.570 -0.052 0.000 2.163 376 I HA -0.263 3.907 4.170 -0.000 0.000 0.243 376 I C 2.467 178.475 176.117 -0.182 0.000 1.085 376 I CA 0.712 61.885 61.300 -0.211 0.000 1.347 376 I CB -0.208 37.571 38.000 -0.367 0.000 1.044 376 I HN 0.062 nan 8.210 nan 0.000 0.408 377 L N 0.211 121.361 121.223 -0.122 0.000 2.012 377 L HA -0.262 4.078 4.340 -0.000 0.000 0.210 377 L C 2.643 179.583 176.870 0.117 0.000 1.073 377 L CA 1.730 56.572 54.840 0.003 0.000 0.748 377 L CB -0.821 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 -0.860 120.460 121.223 0.162 0.000 1.989 378 L HA -0.299 4.041 4.340 -0.000 0.000 0.211 378 L C 2.809 179.852 176.870 0.288 0.000 1.071 378 L CA 1.577 56.590 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 -0.622 119.014 119.600 0.059 0.000 2.073 379 M HA -0.280 4.200 4.480 -0.000 0.000 0.258 379 M C 2.348 178.726 176.300 0.131 0.000 1.070 379 M CA 1.876 57.130 55.300 -0.078 0.000 1.103 379 M CB -0.504 31.829 32.600 -0.445 0.000 1.321 379 M HN 0.135 nan 8.290 nan 0.000 0.405 380 K N 0.199 120.575 120.400 -0.042 0.000 2.063 380 K HA -0.212 4.108 4.320 -0.000 0.000 0.208 380 K C 1.903 178.474 176.600 -0.048 0.000 1.048 380 K CA 1.595 57.749 56.287 -0.222 0.000 0.928 380 K CB -0.328 31.853 32.500 -0.532 0.000 0.713 380 K HN 0.557 nan 8.250 nan 0.000 0.442 381 Q N 0.116 120.052 119.800 0.226 0.000 2.291 381 Q HA -0.035 4.305 4.340 -0.000 0.000 0.205 381 Q C 0.992 177.270 176.000 0.463 0.000 0.970 381 Q CA 0.627 56.684 55.803 0.423 0.000 0.876 381 Q CB 0.069 29.038 28.738 0.384 0.000 0.935 381 Q HN 0.287 nan 8.270 nan 0.000 0.455 382 N N 0.680 119.622 118.700 0.404 0.000 2.251 382 N HA 0.039 4.779 4.740 -0.000 0.000 0.217 382 N C -0.535 175.109 175.510 0.224 0.000 1.124 382 N CA 0.073 53.362 53.050 0.399 0.000 0.843 382 N CB 0.647 39.442 38.487 0.514 0.000 1.024 382 N HN 0.176 nan 8.380 nan 0.000 0.501 383 N N -0.134 118.688 118.700 0.203 0.000 2.882 383 N HA -0.168 4.572 4.740 -0.000 0.000 0.249 383 N C -0.768 174.654 175.510 -0.147 0.000 1.079 383 N CA 0.629 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 1.341 121.302 119.950 0.018 0.000 2.371 384 F HA 0.338 4.865 4.527 -0.000 0.000 0.329 384 F C 1.832 177.618 175.800 -0.023 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 0.419 119.238 118.700 0.198 0.000 2.118 385 N HA 0.406 5.146 4.740 -0.000 0.000 0.226 385 N C -0.873 174.701 175.510 0.106 0.000 1.305 385 N CA 0.063 53.163 53.050 0.084 0.000 0.890 385 N CB 0.704 39.282 38.487 0.151 0.000 1.118 385 N HN 0.472 nan 8.380 nan 0.000 0.511 386 A N -0.349 122.598 122.820 0.211 0.000 2.606 386 A HA 0.768 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 1.788 21.016 19.000 0.379 0.000 1.284 386 A HN 0.364 nan 8.150 nan 0.000 0.408 387 V N 0.969 121.124 119.914 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 61.743 62.300 0.308 0.000 0.964 387 V CB 1.946 33.841 31.823 0.119 0.000 1.029 387 V HN 1.173 nan 8.190 nan 0.000 0.427 388 R N 4.710 125.126 120.500 -0.141 0.000 2.387 388 R HA 0.497 4.837 4.340 -0.000 0.000 0.314 388 R C -0.765 175.369 176.300 -0.277 0.000 0.958 388 R CA -0.477 55.386 56.100 -0.395 0.000 0.846 388 R CB 1.158 30.944 30.300 -0.858 0.000 1.147 388 R HN 0.855 nan 8.270 nan 0.000 0.447 389 C N 4.342 123.518 119.300 -0.206 0.000 3.329 389 C HA 0.100 4.560 4.460 -0.000 0.000 0.537 389 C C 0.516 175.210 174.990 -0.493 0.000 1.034 389 C CA -0.452 58.398 59.018 -0.280 0.000 1.086 389 C CB -2.177 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 1.475 116.762 115.700 -0.688 0.000 2.465 390 S HA 0.167 4.637 4.470 -0.000 0.000 0.280 390 S C -0.123 173.614 174.600 -1.438 0.000 1.232 390 S CA 0.153 57.669 58.200 -1.140 0.000 1.066 390 S CB 0.066 62.496 63.200 -1.284 0.000 0.929 390 S HN 0.738 nan 8.310 nan 0.000 0.494 391 H N 3.491 121.935 119.070 -1.042 0.000 2.597 391 H HA 0.302 4.858 4.556 -0.000 0.000 0.225 391 H C -1.179 173.997 175.328 -0.253 0.000 1.422 391 H CA -0.365 55.443 56.048 -0.401 0.000 1.335 391 H CB -0.055 29.682 29.762 -0.043 0.000 1.783 391 H HN 0.895 nan 8.280 nan 0.000 0.513 392 Y N -2.671 117.740 120.300 0.184 0.000 2.841 392 Y HA 0.378 4.928 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 -2.900 55.313 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 -0.688 176.922 177.300 0.517 0.000 1.216 393 P CA 0.131 63.501 63.100 0.449 0.000 0.776 393 P CB 0.648 32.541 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 0.046 175.816 175.510 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 38.884 38.487 -0.031 0.000 1.202 394 N HN 0.595 nan 8.380 nan 0.000 0.564 395 H N 1.966 121.153 119.070 0.195 0.000 3.034 395 H HA 0.007 4.563 4.556 -0.000 0.000 0.324 395 H C -1.747 173.791 175.328 0.351 0.000 1.015 395 H CA -0.824 55.343 56.048 0.198 0.000 1.429 395 H CB 0.986 30.815 29.762 0.112 0.000 1.429 395 H HN 0.411 nan 8.280 nan 0.000 0.585 396 P HA -0.227 nan 4.420 nan 0.000 0.217 396 P C 1.846 179.488 177.300 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 31.898 31.700 0.052 0.000 0.787 397 L N -1.220 120.427 121.223 0.707 0.000 2.131 397 L HA -0.080 4.260 4.340 -0.000 0.000 0.210 397 L C 2.316 179.426 176.870 0.400 0.000 1.092 397 L CA 1.476 56.621 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 -0.262 121.138 121.300 0.166 0.000 2.302 398 W HA -0.396 4.264 4.660 -0.000 0.000 0.320 398 W C 2.210 178.637 176.519 -0.153 0.000 1.241 398 W CA 2.209 59.500 57.345 -0.089 0.000 1.264 398 W CB -0.491 28.784 29.460 -0.309 0.000 1.154 398 W HN 0.283 nan 8.180 nan 0.000 0.483 399 Y N 0.634 120.892 120.300 -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 -0.361 0.000 1.156 399 Y CA 2.142 59.965 58.100 -0.462 0.000 1.182 399 Y CB -1.427 36.464 38.460 -0.949 0.000 0.979 399 Y HN -0.172 nan 8.280 nan 0.000 0.521 400 T N 0.583 115.175 114.554 0.064 0.000 2.737 400 T HA -0.135 4.215 4.350 -0.000 0.000 0.265 400 T C 2.047 176.786 174.700 0.065 0.000 1.038 400 T CA 1.275 63.467 62.100 0.153 0.000 1.144 400 T CB -0.549 68.458 68.868 0.232 0.000 0.866 400 T HN 0.223 nan 8.240 nan 0.000 0.434 401 L N 0.507 121.745 121.223 0.025 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 1.138 56.016 54.840 0.063 0.000 0.748 401 L CB -0.803 41.257 42.059 0.001 0.000 0.891 401 L HN 0.387 nan 8.230 nan 0.000 0.431 402 C N -0.360 118.769 119.300 -0.285 0.000 2.425 402 C HA -0.155 4.305 4.460 -0.000 0.000 0.277 402 C C 2.426 177.436 174.990 0.033 0.000 1.280 402 C CA 0.391 59.258 59.018 -0.252 0.000 1.744 402 C CB -0.868 26.595 27.740 -0.462 0.000 1.989 402 C HN 0.543 nan 8.230 nan 0.000 0.491 403 D N 0.493 120.913 120.400 0.033 0.000 2.117 403 D HA -0.099 4.540 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 1.161 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 -0.749 119.819 120.500 0.113 0.000 2.075 404 R HA -0.023 4.317 4.340 -0.000 0.000 0.226 404 R C 2.268 178.496 176.300 -0.119 0.000 1.114 404 R CA 0.594 56.690 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 0.408 120.723 120.300 0.025 0.000 2.337 405 Y HA 0.093 4.643 4.550 -0.000 0.000 0.293 405 Y C 1.077 176.907 175.900 -0.116 0.000 1.123 405 Y CA 0.918 59.001 58.100 -0.028 0.000 1.201 405 Y CB 0.474 38.886 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 -0.158 0.000 2.464 407 L HA 0.464 4.804 4.340 -0.000 0.000 0.266 407 L C 0.008 176.834 176.870 -0.073 0.000 0.965 407 L CA -1.265 53.433 54.840 -0.237 0.000 0.833 407 L CB 1.994 43.940 42.059 -0.188 0.000 1.296 407 L HN 0.457 nan 8.230 nan 0.000 0.405 408 Y N 2.084 122.479 120.300 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 -0.584 57.637 58.100 0.202 0.000 1.381 408 Y CB 1.132 39.701 38.460 0.182 0.000 1.273 408 Y HN 0.155 nan 8.280 nan 0.000 0.546 409 V N 3.628 123.703 119.914 0.268 0.000 2.735 409 V HA 0.374 4.494 4.120 -0.000 0.000 0.310 409 V C -0.712 175.440 176.094 0.096 0.000 1.061 409 V CA -1.052 61.343 62.300 0.158 0.000 0.913 409 V CB 2.024 33.896 31.823 0.082 0.000 1.005 409 V HN 0.455 nan 8.190 nan 0.000 0.428 410 V N 2.596 122.546 119.914 0.061 0.000 2.328 410 V HA 0.358 4.478 4.120 -0.000 0.000 0.278 410 V C -0.388 175.733 176.094 0.044 0.000 1.021 410 V CA -0.409 61.889 62.300 -0.004 0.000 0.838 410 V CB 1.426 33.173 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 -0.216 176.255 176.300 0.286 0.000 1.113 411 D CA 0.037 54.188 54.000 0.253 0.000 0.871 411 D CB 1.294 42.291 40.800 0.329 0.000 1.167 411 D HN 0.710 nan 8.370 nan 0.000 0.447 412 E N 1.713 122.057 120.200 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 -1.074 55.456 56.400 0.218 0.000 0.759 412 E CB 1.418 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 3.648 126.600 122.820 0.220 0.000 2.445 413 A HA 0.078 4.398 4.320 -0.000 0.000 0.242 413 A C 0.337 178.048 177.584 0.211 0.000 1.075 413 A CA -0.275 51.875 52.037 0.188 0.000 0.777 413 A CB 0.173 19.251 19.000 0.130 0.000 1.013 413 A HN 0.685 nan 8.150 nan 0.000 0.493 414 N N 1.471 120.305 118.700 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 0.214 0.000 1.211 414 N CA 0.279 53.490 53.050 0.269 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 0.673 121.363 120.570 0.199 0.000 2.534 415 I HA 0.271 4.441 4.170 -0.000 0.000 0.286 415 I C -0.620 175.591 176.117 0.156 0.000 1.094 415 I CA -0.688 60.710 61.300 0.163 0.000 1.055 415 I CB 1.972 40.043 38.000 0.119 0.000 1.225 415 I HN 0.215 nan 8.210 nan 0.000 0.435 416 E N 4.190 124.479 120.200 0.149 0.000 2.278 416 E HA 0.413 4.763 4.350 -0.000 0.000 0.272 416 E C -0.527 176.145 176.600 0.120 0.000 0.890 416 E CA -0.439 56.024 56.400 0.105 0.000 0.770 416 E CB 1.862 31.600 29.700 0.062 0.000 1.212 416 E HN 0.671 nan 8.360 nan 0.000 0.415 417 T N 0.535 115.152 114.554 0.105 0.000 3.380 417 T HA 0.138 4.488 4.350 -0.000 0.000 0.289 417 T C 0.973 175.736 174.700 0.106 0.000 1.012 417 T CA -0.285 61.903 62.100 0.147 0.000 0.944 417 T CB -0.329 68.595 68.868 0.093 0.000 1.172 417 T HN 0.679 nan 8.240 nan 0.000 0.502 418 H N 1.190 120.190 119.070 -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 1.441 57.386 56.048 -0.171 0.000 1.253 418 H CB -0.234 29.399 29.762 -0.215 0.000 1.363 418 H HN 0.575 nan 8.280 nan 0.000 0.494 419 G N 0.228 108.866 108.800 -0.270 0.000 2.650 419 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.214 419 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.214 419 G C 0.644 175.625 174.900 0.135 0.000 1.136 419 G CA -0.141 44.819 45.100 -0.232 0.000 0.789 419 G HN 0.148 nan 8.290 nan 0.000 0.536 420 M N 0.149 119.881 119.600 0.219 0.000 2.131 420 M HA 0.315 4.795 4.480 -0.000 0.000 0.283 420 M C -0.314 176.021 176.300 0.058 0.000 1.225 420 M CA 0.142 55.534 55.300 0.154 0.000 1.153 420 M CB 1.084 33.730 32.600 0.077 0.000 1.380 420 M HN -0.161 nan 8.290 nan 0.000 0.458 421 V N 2.155 122.082 119.914 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 1.936 33.757 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 1.135 178.435 177.300 0.001 0.000 1.250 422 P CA -0.455 62.641 63.100 -0.007 0.000 0.793 422 P CB 0.857 32.554 31.700 -0.004 0.000 1.011 423 M N 0.886 120.493 119.600 0.012 0.000 2.255 423 M HA -0.233 4.247 4.480 -0.000 0.000 0.259 423 M C 1.089 177.407 176.300 0.029 0.000 1.071 423 M CA 2.164 57.481 55.300 0.029 0.000 1.074 423 M CB -0.420 32.195 32.600 0.025 0.000 1.384 423 M HN 0.399 nan 8.290 nan 0.000 0.415 424 N N -0.261 118.452 118.700 0.023 0.000 2.251 424 N HA -0.040 4.700 4.740 -0.000 0.000 0.217 424 N C 1.053 176.529 175.510 -0.057 0.000 1.124 424 N CA 0.074 53.131 53.050 0.013 0.000 0.843 424 N CB -0.593 37.924 38.487 0.050 0.000 1.024 424 N HN 0.349 nan 8.380 nan 0.000 0.501 425 R N 0.617 121.072 120.500 -0.074 0.000 2.134 425 R HA -0.090 4.249 4.340 -0.000 0.000 0.248 425 R C 1.548 177.727 176.300 -0.201 0.000 1.143 425 R CA 1.891 57.921 56.100 -0.115 0.000 0.957 425 R CB -0.160 30.070 30.300 -0.117 0.000 0.867 425 R HN 0.327 nan 8.270 nan 0.000 0.441 426 L N -0.991 120.045 121.223 -0.311 0.000 2.168 426 L HA 0.004 4.344 4.340 -0.000 0.000 0.203 426 L C 2.478 179.165 176.870 -0.305 0.000 1.078 426 L CA 1.284 55.810 54.840 -0.524 0.000 0.780 426 L CB -0.772 40.696 42.059 -0.985 0.000 0.939 426 L HN 0.366 nan 8.230 nan 0.000 0.451 427 T N -3.657 110.756 114.554 -0.235 0.000 2.897 427 T HA -0.210 4.140 4.350 -0.000 0.000 0.271 427 T C 1.242 175.820 174.700 -0.204 0.000 1.084 427 T CA 1.443 63.385 62.100 -0.263 0.000 1.123 427 T CB -0.352 68.326 68.868 -0.315 0.000 0.865 427 T HN 0.133 nan 8.240 nan 0.000 0.496 428 D N 1.306 121.627 120.400 -0.131 0.000 2.342 428 D HA 0.138 4.778 4.640 -0.000 0.000 0.221 428 D C -0.492 175.777 176.300 -0.051 0.000 1.101 428 D CA -0.225 53.719 54.000 -0.094 0.000 0.837 428 D CB -0.031 40.726 40.800 -0.073 0.000 0.938 428 D HN 0.342 nan 8.370 nan 0.000 0.508 429 D N -0.593 119.791 120.400 -0.026 0.000 2.481 429 D HA 0.187 4.827 4.640 -0.000 0.000 0.246 429 D C -1.829 174.537 176.300 0.109 0.000 1.109 429 D CA -2.320 51.715 54.000 0.057 0.000 0.845 429 D CB 2.236 43.108 40.800 0.120 0.000 1.160 429 D HN -0.149 nan 8.370 nan 0.000 0.534 430 P HA -0.185 nan 4.420 nan 0.000 0.216 430 P C 1.105 178.415 177.300 0.016 0.000 1.154 430 P CA 1.248 64.361 63.100 0.021 0.000 0.865 430 P CB 0.170 31.871 31.700 0.001 0.000 0.789 431 R N -1.800 118.715 120.500 0.025 0.000 2.211 431 R HA -0.143 4.197 4.340 -0.000 0.000 0.240 431 R C 1.772 177.928 176.300 -0.240 0.000 1.144 431 R CA 1.458 57.492 56.100 -0.110 0.000 0.992 431 R CB -0.832 29.375 30.300 -0.155 0.000 0.869 431 R HN 0.365 nan 8.270 nan 0.000 0.462 432 W N -0.042 121.200 121.300 -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 -0.602 56.684 57.345 -0.099 0.000 1.759 432 W CB -0.033 29.364 29.460 -0.106 0.000 1.093 432 W HN -0.002 nan 8.180 nan 0.000 0.648 433 L N 2.380 123.649 121.223 0.078 0.000 2.042 433 L HA -0.078 4.262 4.340 -0.000 0.000 0.210 433 L C -0.749 176.093 176.870 -0.047 0.000 1.076 433 L CA 2.307 57.146 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 -0.230 nan 8.230 nan 0.000 0.432 434 P HA -0.105 nan 4.420 nan 0.000 0.215 434 P C 1.663 178.915 177.300 -0.080 0.000 1.157 434 P CA 2.075 65.120 63.100 -0.092 0.000 0.863 434 P CB -0.252 31.385 31.700 -0.105 0.000 0.787 435 A N -0.343 122.444 122.820 -0.055 0.000 1.873 435 A HA -0.240 4.080 4.320 -0.000 0.000 0.218 435 A C 2.296 179.890 177.584 0.017 0.000 1.193 435 A CA 2.310 54.346 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 1.916 57.211 55.300 -0.009 0.000 1.107 436 M CB -0.564 32.011 32.600 -0.043 0.000 1.356 436 M HN 0.689 nan 8.290 nan 0.000 0.406 437 S N 0.532 116.158 115.700 -0.124 0.000 2.365 437 S HA -0.221 4.249 4.470 -0.000 0.000 0.225 437 S C 1.696 176.139 174.600 -0.261 0.000 1.039 437 S CA 1.713 59.777 58.200 -0.227 0.000 1.033 437 S CB -0.416 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 0.649 120.743 120.200 -0.176 0.000 2.110 438 E HA -0.137 4.213 4.350 -0.000 0.000 0.193 438 E C 2.454 178.975 176.600 -0.131 0.000 0.988 438 E CA 1.013 57.319 56.400 -0.157 0.000 0.804 438 E CB -0.224 29.418 29.700 -0.096 0.000 0.745 438 E HN 0.582 nan 8.360 nan 0.000 0.458 439 R N 0.171 120.622 120.500 -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 0.912 56.991 56.100 -0.036 0.000 0.975 439 R CB -0.014 30.299 30.300 0.022 0.000 0.866 439 R HN 0.019 nan 8.270 nan 0.000 0.446 440 V N -0.000 119.827 119.914 -0.145 0.000 2.426 440 V HA -0.174 3.946 4.120 -0.000 0.000 0.242 440 V C 2.356 178.297 176.094 -0.255 0.000 1.036 440 V CA 2.010 64.211 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 -0.220 114.063 114.554 -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 1.768 63.541 62.100 -0.544 0.000 1.151 441 T CB -0.485 67.955 68.868 -0.714 0.000 0.862 441 T HN 0.402 nan 8.240 nan 0.000 0.438 442 R N 0.462 120.852 120.500 -0.184 0.000 2.081 442 R HA 0.074 4.414 4.340 -0.000 0.000 0.235 442 R C 2.718 178.955 176.300 -0.106 0.000 1.131 442 R CA 1.635 57.661 56.100 -0.124 0.000 0.960 442 R CB -0.544 29.691 30.300 -0.108 0.000 0.856 442 R HN 0.487 nan 8.270 nan 0.000 0.436 443 M N 0.814 120.360 119.600 -0.090 0.000 2.080 443 M HA -0.183 4.297 4.480 -0.000 0.000 0.260 443 M C 2.009 178.252 176.300 -0.094 0.000 1.068 443 M CA 1.748 57.022 55.300 -0.044 0.000 1.109 443 M CB -0.034 32.579 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 -0.317 3.803 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 0.600 nan 8.190 nan 0.000 0.450 445 Q N -0.753 118.977 119.800 -0.116 0.000 2.135 445 Q HA -0.242 4.098 4.340 -0.000 0.000 0.204 445 Q C 2.513 178.440 176.000 -0.123 0.000 0.981 445 Q CA 1.787 57.537 55.803 -0.089 0.000 0.856 445 Q CB -0.161 28.547 28.738 -0.050 0.000 0.902 445 Q HN 0.540 nan 8.270 nan 0.000 0.425 446 R N 0.101 120.521 120.500 -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 1.405 57.399 56.100 -0.177 0.000 0.972 446 R CB 0.366 30.560 30.300 -0.176 0.000 0.869 446 R HN 0.147 nan 8.270 nan 0.000 0.437 447 D N -0.185 120.202 120.400 -0.022 0.000 2.369 447 D HA -0.010 4.630 4.640 -0.000 0.000 0.211 447 D C 1.408 177.808 176.300 0.167 0.000 1.077 447 D CA 0.178 54.214 54.000 0.060 0.000 0.842 447 D CB 0.295 41.103 40.800 0.014 0.000 0.947 447 D HN 0.325 nan 8.370 nan 0.000 0.509 448 R N 0.812 121.423 120.500 0.185 0.000 2.303 448 R HA -0.003 4.337 4.340 -0.000 0.000 0.225 448 R C 0.995 177.283 176.300 -0.019 0.000 1.114 448 R CA 1.096 57.319 56.100 0.204 0.000 1.007 448 R CB -0.421 29.966 30.300 0.145 0.000 0.861 448 R HN -0.029 nan 8.270 nan 0.000 0.471 449 N N 0.283 118.886 118.700 -0.161 0.000 2.412 449 N HA -0.033 4.707 4.740 -0.000 0.000 0.184 449 N C -0.406 174.957 175.510 -0.245 0.000 1.101 449 N CA 0.254 53.163 53.050 -0.235 0.000 0.881 449 N CB 0.059 38.356 38.487 -0.317 0.000 0.969 449 N HN 0.369 nan 8.380 nan 0.000 0.459 450 H N 1.577 120.561 119.070 -0.142 0.000 2.742 450 H HA 0.096 4.652 4.556 -0.000 0.000 0.302 450 H C -1.201 173.963 175.328 -0.274 0.000 1.069 450 H CA -1.204 54.741 56.048 -0.171 0.000 1.446 450 H CB 1.540 31.237 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 1.384 178.266 177.300 -0.698 0.000 1.148 451 P CA 1.168 63.924 63.100 -0.574 0.000 0.822 451 P CB 0.212 31.318 31.700 -0.991 0.000 0.784 452 S N -1.310 114.050 115.700 -0.566 0.000 2.447 452 S HA -0.013 4.457 4.470 -0.000 0.000 0.233 452 S C 1.052 175.615 174.600 -0.061 0.000 1.006 452 S CA 0.170 58.213 58.200 -0.262 0.000 0.957 452 S CB -1.311 61.854 63.200 -0.058 0.000 0.773 452 S HN -0.070 nan 8.310 nan 0.000 0.507 453 V N 3.478 123.316 119.914 -0.127 0.000 2.470 453 V HA 0.262 4.382 4.120 -0.000 0.000 0.276 453 V C 0.985 176.930 176.094 -0.249 0.000 1.040 453 V CA -0.078 62.114 62.300 -0.181 0.000 1.008 453 V CB 0.612 32.233 31.823 -0.337 0.000 0.990 453 V HN 0.627 nan 8.190 nan 0.000 0.477 454 I N 2.663 123.129 120.570 -0.173 0.000 4.327 454 I HA 0.526 4.696 4.170 -0.000 0.000 0.331 454 I C 0.241 176.232 176.117 -0.211 0.000 1.348 454 I CA 0.337 61.543 61.300 -0.157 0.000 1.152 454 I CB 0.494 38.481 38.000 -0.023 0.000 1.151 454 I HN 0.312 nan 8.210 nan 0.000 0.410 455 I N 0.246 120.663 120.570 -0.254 0.000 2.752 455 I HA 0.369 4.539 4.170 -0.000 0.000 0.295 455 I C -1.627 174.371 176.117 -0.199 0.000 1.219 455 I CA -0.433 60.761 61.300 -0.177 0.000 1.030 455 I CB 2.167 40.161 38.000 -0.009 0.000 1.259 455 I HN 0.013 nan 8.210 nan 0.000 0.423 456 W N 3.553 124.898 121.300 0.075 0.000 2.496 456 W HA 0.637 5.297 4.660 -0.000 0.000 0.327 456 W C 0.311 176.893 176.519 0.105 0.000 1.086 456 W CA -0.704 56.692 57.345 0.085 0.000 1.222 456 W CB 1.725 31.229 29.460 0.074 0.000 1.304 456 W HN 0.309 nan 8.180 nan 0.000 0.547 457 S N 2.899 118.829 115.700 0.383 0.000 2.532 457 S HA 0.391 4.861 4.470 -0.000 0.000 0.299 457 S C 0.250 175.020 174.600 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 4.098 125.486 121.223 0.275 0.000 2.610 458 L HA 0.317 4.657 4.340 -0.000 0.000 0.232 458 L C 1.424 178.389 176.870 0.158 0.000 1.149 458 L CA 0.577 55.516 54.840 0.165 0.000 0.872 458 L CB -1.217 40.846 42.059 0.006 0.000 0.992 458 L HN 0.998 nan 8.230 nan 0.000 0.447 459 G N -0.003 108.962 108.800 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 0.184 119.024 118.700 0.234 0.000 2.504 460 N HA 0.438 5.178 4.740 -0.000 0.000 0.268 460 N C -0.532 174.942 175.510 -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 0.721 120.791 120.200 -0.216 0.000 2.131 461 E HA -0.198 4.152 4.350 -0.000 0.000 0.166 461 E C -0.841 175.690 176.600 -0.115 0.000 1.514 461 E CA 0.792 56.994 56.400 -0.330 0.000 0.646 461 E CB -1.563 27.644 29.700 -0.822 0.000 1.051 461 E HN 0.418 nan 8.360 nan 0.000 0.315 462 S N 0.057 115.833 115.700 0.128 0.000 2.941 462 S HA 0.416 4.886 4.470 -0.000 0.000 0.251 462 S C 0.762 175.534 174.600 0.287 0.000 1.029 462 S CA -0.177 58.148 58.200 0.208 0.000 1.062 462 S CB 1.405 64.776 63.200 0.285 0.000 0.977 462 S HN 0.903 nan 8.310 nan 0.000 0.552 463 G N 2.060 110.974 108.800 0.190 0.000 2.575 463 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.267 463 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.267 463 G C -0.501 174.619 174.900 0.367 0.000 1.264 463 G CA 0.020 45.234 45.100 0.190 0.000 0.935 463 G HN 0.648 nan 8.290 nan 0.000 0.568 464 H N 0.499 119.698 119.070 0.215 0.000 2.840 464 H HA 0.581 5.137 4.556 -0.000 0.000 0.340 464 H C 0.157 175.663 175.328 0.297 0.000 1.004 464 H CA 0.090 56.292 56.048 0.257 0.000 1.288 464 H CB 0.933 30.775 29.762 0.132 0.000 1.607 464 H HN 1.219 nan 8.280 nan 0.000 0.522 465 G N 1.400 110.203 108.800 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 0.502 175.232 174.900 -0.283 0.000 1.355 465 G CA -0.162 44.795 45.100 -0.238 0.000 0.903 465 G HN 0.656 nan 8.290 nan 0.000 0.474 466 A N 0.368 123.070 122.820 -0.197 0.000 1.986 466 A HA -0.121 4.199 4.320 -0.000 0.000 0.220 466 A C 2.117 179.664 177.584 -0.061 0.000 1.171 466 A CA 2.049 54.027 52.037 -0.098 0.000 0.640 466 A CB -0.461 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 -0.298 118.322 118.700 -0.133 0.000 2.205 467 N HA -0.156 4.584 4.740 -0.000 0.000 0.186 467 N C 1.372 176.819 175.510 -0.106 0.000 1.015 467 N CA 1.727 54.693 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 0.485 119.510 119.070 -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 1.327 57.347 56.048 -0.048 0.000 1.319 468 H CB 0.130 29.855 29.762 -0.061 0.000 1.379 468 H HN 0.164 nan 8.280 nan 0.000 0.501 469 D N 0.497 121.042 120.400 0.242 0.000 2.104 469 D HA -0.159 4.481 4.640 -0.000 0.000 0.194 469 D C 2.301 178.750 176.300 0.248 0.000 0.994 469 D CA 1.246 55.388 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 0.699 123.615 122.820 0.160 0.000 1.908 470 A HA -0.136 4.184 4.320 -0.000 0.000 0.218 470 A C 2.408 180.102 177.584 0.184 0.000 1.181 470 A CA 1.017 53.141 52.037 0.145 0.000 0.627 470 A CB -0.740 18.303 19.000 0.072 0.000 0.818 470 A HN 0.217 nan 8.150 nan 0.000 0.445 471 L N -2.314 119.006 121.223 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 1.473 56.410 54.840 0.161 0.000 0.760 471 L CB -0.681 41.407 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 2.898 178.880 175.900 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 0.054 120.681 120.500 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 2.048 58.199 56.100 0.086 0.000 0.951 473 R CB -1.735 28.686 30.300 0.202 0.000 0.851 473 R HN 0.680 nan 8.270 nan 0.000 0.434 474 W N 1.242 122.503 121.300 -0.065 0.000 2.318 474 W HA -0.197 4.463 4.660 -0.000 0.000 0.313 474 W C 1.963 178.391 176.519 -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 28.970 29.460 -0.081 0.000 1.150 474 W HN 0.035 nan 8.180 nan 0.000 0.496 475 I N 0.651 121.206 120.570 -0.024 0.000 2.226 475 I HA -0.335 3.835 4.170 -0.000 0.000 0.245 475 I C 2.405 178.287 176.117 -0.391 0.000 1.100 475 I CA 1.338 62.451 61.300 -0.311 0.000 1.374 475 I CB -0.911 36.988 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 1.660 57.776 56.287 -0.285 0.000 0.928 476 K CB -0.588 31.731 32.500 -0.301 0.000 0.716 476 K HN 0.354 nan 8.250 nan 0.000 0.446 477 S N 0.401 115.911 115.700 -0.316 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 0.797 58.818 58.200 -0.298 0.000 0.965 477 S CB -0.171 62.866 63.200 -0.272 0.000 0.812 477 S HN -0.013 nan 8.310 nan 0.000 0.482 478 V N 1.381 120.931 119.914 -0.607 0.000 2.488 478 V HA 0.056 4.176 4.120 -0.000 0.000 0.246 478 V C 0.381 176.239 176.094 -0.395 0.000 1.046 478 V CA 1.253 63.183 62.300 -0.616 0.000 1.053 478 V CB -0.258 30.876 31.823 -1.148 0.000 0.679 478 V HN 0.394 nan 8.190 nan 0.000 0.458 479 D N -0.883 119.322 120.400 -0.326 0.000 2.336 479 D HA 0.264 4.904 4.640 -0.000 0.000 0.248 479 D C -2.238 174.043 176.300 -0.031 0.000 1.326 479 D CA -1.657 52.269 54.000 -0.125 0.000 0.973 479 D CB 1.901 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 1.202 178.519 177.300 0.028 0.000 1.190 480 P CA 0.287 63.376 63.100 -0.019 0.000 0.781 480 P CB 0.287 31.966 31.700 -0.034 0.000 0.931 481 S N -0.605 115.123 115.700 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 0.102 58.334 58.200 0.053 0.000 0.942 481 S CB -0.434 62.791 63.200 0.043 0.000 0.768 481 S HN 0.088 nan 8.310 nan 0.000 0.520 482 R N 0.824 121.373 120.500 0.082 0.000 2.725 482 R HA 0.599 4.939 4.340 -0.000 0.000 0.277 482 R C -3.210 173.156 176.300 0.109 0.000 0.987 482 R CA -2.322 53.800 56.100 0.036 0.000 0.901 482 R CB 1.438 31.651 30.300 -0.145 0.000 1.207 482 R HN 0.142 nan 8.270 nan 0.000 0.463 483 P HA 0.218 nan 4.420 nan 0.000 0.276 483 P C -0.820 176.582 177.300 0.170 0.000 1.244 483 P CA -0.525 62.638 63.100 0.105 0.000 0.801 483 P CB 0.865 32.611 31.700 0.075 0.000 1.006 484 V N 2.140 122.178 119.914 0.207 0.000 2.555 484 V HA 0.451 4.571 4.120 -0.000 0.000 0.302 484 V C 0.170 176.442 176.094 0.297 0.000 1.038 484 V CA -0.387 62.082 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 -1.798 174.365 176.000 0.271 0.000 1.099 485 Q CA -0.981 54.951 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 0.651 nan 8.270 nan 0.000 0.427 486 Y N 0.126 120.445 120.300 0.032 0.000 2.357 486 Y HA 0.145 4.695 4.550 -0.000 0.000 0.319 486 Y C -0.444 175.409 175.900 -0.080 0.000 1.225 486 Y CA -0.634 57.454 58.100 -0.021 0.000 1.095 486 Y CB 2.015 40.457 38.460 -0.030 0.000 1.302 486 Y HN 0.958 nan 8.280 nan 0.000 0.429 487 E N 3.554 123.281 120.200 -0.789 0.000 2.250 487 E HA 0.113 4.463 4.350 -0.000 0.000 0.192 487 E C 0.749 176.918 176.600 -0.718 0.000 0.986 487 E CA 0.800 56.839 56.400 -0.602 0.000 0.849 487 E CB 0.187 29.648 29.700 -0.397 0.000 0.797 487 E HN 0.900 nan 8.360 nan 0.000 0.482 488 G N 0.001 107.974 108.800 -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 -0.684 0.000 0.863 488 G HN 0.383 nan 8.290 nan 0.000 0.559 489 G N -0.358 108.406 108.800 -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 1.290 176.188 174.900 -0.004 0.000 1.041 489 G CA 1.002 46.122 45.100 0.033 0.000 0.807 489 G HN 2.635 nan 8.290 nan 0.000 0.502 490 G N -1.663 107.131 108.800 -0.010 0.000 2.229 490 G HA2 0.410 4.370 3.960 -0.000 0.000 0.189 490 G HA3 0.410 4.370 3.960 -0.000 0.000 0.189 490 G C 1.104 176.102 174.900 0.164 0.000 1.000 490 G CA 1.308 46.457 45.100 0.082 0.000 0.663 490 G HN 2.356 nan 8.290 nan 0.000 0.493 491 A N -0.220 122.592 122.820 -0.013 0.000 3.413 491 A HA -0.108 4.212 4.320 -0.000 0.000 0.268 491 A C 1.103 178.647 177.584 -0.066 0.000 1.128 491 A CA 2.658 54.640 52.037 -0.091 0.000 1.062 491 A CB -1.805 17.106 19.000 -0.148 0.000 1.121 491 A HN 2.109 nan 8.150 nan 0.000 0.895 492 D N -1.161 119.267 120.400 0.047 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 54.861 54.000 0.063 0.000 0.796 492 D CB -1.158 39.821 40.800 0.298 0.000 1.117 492 D HN 0.839 nan 8.370 nan 0.000 0.480 493 T N -2.661 111.822 114.554 -0.118 0.000 2.698 493 T HA 0.128 4.478 4.350 -0.000 0.000 0.295 493 T C 1.624 176.197 174.700 -0.212 0.000 1.007 493 T CA 0.564 62.523 62.100 -0.236 0.000 0.980 493 T CB 1.091 69.607 68.868 -0.587 0.000 1.036 493 T HN 0.056 nan 8.240 nan 0.000 0.526 494 T N -1.572 112.842 114.554 -0.233 0.000 3.007 494 T HA 0.039 4.389 4.350 -0.000 0.000 0.270 494 T C 1.714 176.148 174.700 -0.442 0.000 1.107 494 T CA 0.880 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 0.110 122.702 122.820 -0.381 0.000 2.337 495 A HA 0.451 4.771 4.320 -0.000 0.000 0.227 495 A C 1.009 178.404 177.584 -0.315 0.000 1.259 495 A CA 0.115 51.872 52.037 -0.467 0.000 0.870 495 A CB -0.221 18.776 19.000 -0.006 0.000 0.927 495 A HN 0.504 nan 8.150 nan 0.000 0.497 496 T N -1.692 112.717 114.554 -0.241 0.000 2.912 496 T HA 0.390 4.740 4.350 -0.000 0.000 0.299 496 T C -0.544 174.185 174.700 0.050 0.000 1.052 496 T CA -0.468 61.638 62.100 0.011 0.000 0.996 496 T CB 1.351 70.226 68.868 0.011 0.000 1.070 496 T HN 0.071 nan 8.240 nan 0.000 0.465 497 D N 2.533 123.040 120.400 0.179 0.000 2.348 497 D HA 0.305 4.945 4.640 -0.000 0.000 0.211 497 D C 0.278 176.615 176.300 0.062 0.000 0.998 497 D CA 0.672 54.762 54.000 0.150 0.000 0.873 497 D CB 0.397 41.313 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 0.030 0.000 2.686 498 I HA 0.262 4.432 4.170 -0.000 0.000 0.295 498 I C -0.380 175.683 176.117 -0.091 0.000 1.114 498 I CA -0.947 60.335 61.300 -0.029 0.000 1.038 498 I CB 2.976 40.966 38.000 -0.016 0.000 1.238 498 I HN -0.358 nan 8.210 nan 0.000 0.420 499 I N 5.161 125.633 120.570 -0.163 0.000 2.436 499 I HA 0.096 4.266 4.170 -0.000 0.000 0.289 499 I C -0.000 175.925 176.117 -0.319 0.000 1.083 499 I CA -0.053 61.066 61.300 -0.303 0.000 1.372 499 I CB 0.161 37.886 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 0.486 4.946 4.460 -0.000 0.000 0.208 500 C C -2.223 172.628 174.990 -0.231 0.000 1.422 500 C CA -2.273 56.615 59.018 -0.216 0.000 1.437 500 C CB -0.924 26.747 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 0.073 63.050 63.100 -0.206 0.000 0.795 501 P CB 0.727 32.281 31.700 -0.243 0.000 1.038 502 M N -0.157 119.398 119.600 -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 54.577 55.300 -0.210 0.000 0.941 502 M CB 1.275 33.726 32.600 -0.249 0.000 1.579 502 M HN 0.349 nan 8.290 nan 0.000 0.427 503 Y N -0.114 120.325 120.300 0.232 0.000 4.490 503 Y HA -0.214 4.336 4.550 -0.000 0.000 0.233 503 Y C 0.478 176.525 175.900 0.245 0.000 1.101 503 Y CA 0.427 58.668 58.100 0.235 0.000 2.010 503 Y CB -2.257 36.312 38.460 0.181 0.000 1.622 503 Y HN 0.988 nan 8.280 nan 0.000 0.675 504 A N 1.273 124.291 122.820 0.329 0.000 2.425 504 A HA 0.580 4.900 4.320 -0.000 0.000 0.249 504 A C 0.706 178.485 177.584 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 19.613 19.000 0.364 0.000 1.019 504 A HN 0.397 nan 8.150 nan 0.000 0.490 505 R N 1.565 122.192 120.500 0.212 0.000 2.577 505 R HA 0.300 4.640 4.340 -0.000 0.000 0.269 505 R C 0.980 177.251 176.300 -0.048 0.000 1.084 505 R CA -0.732 55.428 56.100 0.101 0.000 1.163 505 R CB 0.579 30.914 30.300 0.058 0.000 1.100 505 R HN 0.479 nan 8.270 nan 0.000 0.547 506 V N 0.861 120.595 119.914 -0.300 0.000 2.261 506 V HA -0.228 3.892 4.120 -0.000 0.000 0.246 506 V C 1.027 177.000 176.094 -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 0.625 176.905 176.300 -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 1.185 121.373 120.200 -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 1.618 31.312 29.700 -0.010 0.000 1.137 508 E HN -0.295 nan 8.360 nan 0.000 0.397 509 D N 2.337 122.738 120.400 0.003 0.000 2.225 509 D HA 0.149 4.789 4.640 -0.000 0.000 0.249 509 D C -0.608 175.589 176.300 -0.171 0.000 1.052 509 D CA -0.219 53.773 54.000 -0.014 0.000 0.909 509 D CB 1.357 42.215 40.800 0.097 0.000 1.186 509 D HN 0.407 nan 8.370 nan 0.000 0.431 510 Q N 1.573 121.158 119.800 -0.359 0.000 2.558 510 Q HA 0.267 4.607 4.340 -0.000 0.000 0.252 510 Q C -2.287 173.038 176.000 -1.125 0.000 1.015 510 Q CA -1.594 53.788 55.803 -0.702 0.000 0.720 510 Q CB 2.452 30.816 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 -0.154 62.508 63.100 -0.729 0.000 0.977 511 P CB -0.544 30.933 31.700 -0.372 0.000 1.930 512 F N 2.298 122.099 119.950 -0.247 0.000 2.459 512 F HA 0.240 4.767 4.527 -0.000 0.000 0.346 512 F C -1.188 174.507 175.800 -0.176 0.000 1.128 512 F CA -2.603 55.296 58.000 -0.168 0.000 1.268 512 F CB -0.448 38.470 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 0.338 177.656 177.300 0.029 0.000 1.204 513 P CA 0.913 64.032 63.100 0.031 0.000 0.768 513 P CB 1.153 32.872 31.700 0.032 0.000 0.842 514 A N 3.019 125.842 122.820 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 2.062 54.105 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 -3.723 116.192 119.914 0.001 0.000 2.703 515 V HA 0.542 4.662 4.120 -0.000 0.000 0.290 515 V C -2.639 173.457 176.094 0.004 0.000 1.035 515 V CA -1.103 61.196 62.300 -0.002 0.000 1.185 515 V CB 0.824 32.660 31.823 0.022 0.000 1.178 515 V HN 0.445 nan 8.190 nan 0.000 0.562 516 P HA 0.342 nan 4.420 nan 0.000 0.272 516 P C -0.712 176.118 177.300 -0.784 0.000 1.230 516 P CA 0.092 62.810 63.100 -0.636 0.000 0.788 516 P CB 0.989 31.918 31.700 -1.286 0.000 0.949 517 K N 1.915 121.874 120.400 -0.736 0.000 2.521 517 K HA 0.235 4.554 4.320 -0.000 0.000 0.248 517 K C -0.518 175.789 176.600 -0.489 0.000 0.978 517 K CA -0.263 55.785 56.287 -0.399 0.000 0.947 517 K CB 0.699 33.255 32.500 0.094 0.000 1.165 517 K HN 0.488 nan 8.250 nan 0.000 0.445 518 W N 1.584 122.624 121.300 -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 -0.673 56.506 57.345 -0.278 0.000 1.259 518 W CB 0.534 29.670 29.460 -0.539 0.000 1.133 518 W HN 0.441 nan 8.180 nan 0.000 0.592 519 S N 3.204 119.073 115.700 0.282 0.000 2.558 519 S HA -0.077 4.393 4.470 -0.000 0.000 0.288 519 S C 1.082 175.831 174.600 0.249 0.000 1.318 519 S CA -0.209 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 1.103 121.775 120.570 0.171 0.000 2.454 520 I HA -0.160 4.010 4.170 -0.000 0.000 0.254 520 I C 1.855 177.988 176.117 0.027 0.000 1.156 520 I CA 1.110 62.510 61.300 0.166 0.000 1.433 520 I CB -0.574 37.457 38.000 0.051 0.000 1.082 520 I HN 0.663 nan 8.210 nan 0.000 0.432 521 K N 2.136 122.457 120.400 -0.133 0.000 2.097 521 K HA -0.173 4.147 4.320 -0.000 0.000 0.205 521 K C 2.152 178.728 176.600 -0.039 0.000 1.050 521 K CA 1.606 57.738 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 0.699 121.103 120.400 0.007 0.000 2.103 522 K HA -0.150 4.170 4.320 -0.000 0.000 0.204 522 K C 1.924 178.525 176.600 0.002 0.000 1.052 522 K CA 0.678 56.951 56.287 -0.023 0.000 0.945 522 K CB -0.091 32.365 32.500 -0.073 0.000 0.722 522 K HN 0.195 nan 8.250 nan 0.000 0.443 523 W N 2.039 123.298 121.300 -0.068 0.000 2.321 523 W HA -0.208 4.452 4.660 -0.000 0.000 0.306 523 W C 1.550 178.029 176.519 -0.068 0.000 1.217 523 W CA 1.294 58.609 57.345 -0.051 0.000 1.257 523 W CB -0.575 28.956 29.460 0.117 0.000 1.145 523 W HN 0.120 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 2.565 179.487 176.870 0.087 0.000 1.089 524 L CA 1.910 56.830 54.840 0.133 0.000 0.757 524 L CB -0.990 41.127 42.059 0.096 0.000 0.899 524 L HN -0.004 nan 8.230 nan 0.000 0.434 525 S N -0.954 114.774 115.700 0.047 0.000 2.558 525 S HA 0.108 4.578 4.470 -0.000 0.000 0.217 525 S C 0.824 175.396 174.600 -0.048 0.000 0.975 525 S CA -0.408 57.793 58.200 0.001 0.000 0.912 525 S CB -0.463 62.733 63.200 -0.008 0.000 0.776 525 S HN 0.205 nan 8.310 nan 0.000 0.526 526 L N 2.521 123.698 121.223 -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 -1.541 53.219 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 -0.010 nan 4.420 nan 0.000 0.260 527 P C 0.841 178.129 177.300 -0.019 0.000 1.185 527 P CA 0.927 64.001 63.100 -0.044 0.000 0.763 527 P CB 0.629 32.299 31.700 -0.051 0.000 0.776 528 G N 2.067 110.864 108.800 -0.006 0.000 2.225 528 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.254 528 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.254 528 G C 0.242 175.155 174.900 0.022 0.000 0.988 528 G CA 0.075 45.180 45.100 0.008 0.000 0.625 528 G HN 0.626 nan 8.290 nan 0.000 0.527 529 E N 1.239 121.457 120.200 0.030 0.000 2.344 529 E HA 0.556 4.906 4.350 -0.000 0.000 0.270 529 E C 1.420 178.043 176.600 0.038 0.000 1.021 529 E CA 0.831 57.263 56.400 0.053 0.000 0.887 529 E CB 0.769 30.529 29.700 0.101 0.000 0.997 529 E HN 0.577 nan 8.360 nan 0.000 0.429 530 T N 0.748 115.322 114.554 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 2.272 122.777 120.500 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 54.506 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 0.168 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 -0.279 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 1.964 123.099 121.223 -0.148 0.000 2.381 533 L HA 0.611 4.951 4.340 -0.000 0.000 0.274 533 L C -1.237 175.495 176.870 -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 5.331 125.768 120.570 -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 60.621 61.300 -0.235 0.000 1.056 534 I CB 2.098 40.006 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 -0.211 0.000 2.367 535 L HA 0.117 4.457 4.340 -0.000 0.000 0.275 535 L C 1.382 178.315 176.870 0.105 0.000 1.129 535 L CA -0.214 54.565 54.840 -0.100 0.000 0.839 535 L CB 0.765 42.745 42.059 -0.132 0.000 1.133 535 L HN 0.862 nan 8.230 nan 0.000 0.453 536 C N 0.020 119.362 119.300 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 -0.148 58.955 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 -0.898 119.335 120.200 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 -0.893 57.203 58.100 -0.007 0.000 1.050 538 Y CB 0.977 39.310 38.460 -0.211 0.000 1.308 538 Y HN 0.660 nan 8.280 nan 0.000 0.456 539 A N 2.226 125.101 122.820 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 1.076 53.155 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 1.113 nan 8.150 nan 0.000 0.364 540 H N 0.551 119.763 119.070 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 0.802 56.983 56.048 0.223 0.000 1.415 540 H CB 0.385 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 0.982 178.386 177.584 -0.299 0.000 1.353 541 A CA -0.343 51.549 52.037 -0.242 0.000 0.996 541 A CB -0.536 18.317 19.000 -0.246 0.000 0.961 541 A HN 0.791 nan 8.150 nan 0.000 0.523 542 M N 1.315 120.703 119.600 -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 -0.234 0.000 1.470 542 M CA 1.242 56.370 55.300 -0.286 0.000 1.161 542 M CB -0.376 32.087 32.600 -0.229 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 -0.188 174.283 174.900 -0.715 0.000 1.190 543 G CA 0.068 44.886 45.100 -0.470 0.000 0.971 543 G HN 0.826 nan 8.290 nan 0.000 0.559 544 N N 1.498 119.603 118.700 -0.992 0.000 2.466 544 N HA 0.507 5.247 4.740 -0.000 0.000 0.263 544 N C 0.023 175.283 175.510 -0.415 0.000 1.178 544 N CA 1.111 53.699 53.050 -0.770 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 1.700 117.235 115.700 -0.275 0.000 3.144 545 S HA 0.580 5.050 4.470 -0.000 0.000 0.325 545 S C -0.111 174.412 174.600 -0.127 0.000 1.161 545 S CA -0.388 57.702 58.200 -0.184 0.000 0.920 545 S CB 0.164 63.274 63.200 -0.150 0.000 1.340 545 S HN 0.377 nan 8.310 nan 0.000 0.681 546 L N 0.206 121.383 121.223 -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 0.915 55.731 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 -0.760 108.040 108.800 -0.000 0.000 2.343 547 G HA2 0.486 4.446 3.960 -0.000 0.000 0.254 547 G HA3 0.486 4.446 3.960 -0.000 0.000 0.254 547 G C 1.214 176.157 174.900 0.071 0.000 1.277 547 G CA 0.191 45.276 45.100 -0.025 0.000 0.909 547 G HN 1.381 nan 8.290 nan 0.000 0.502 548 G N 1.872 110.727 108.800 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 2.069 122.149 119.950 0.216 0.000 2.087 549 F HA 0.015 4.542 4.527 -0.000 0.000 0.299 549 F C 2.739 178.772 175.800 0.387 0.000 1.100 549 F CA 2.852 61.050 58.000 0.328 0.000 1.226 549 F CB -0.532 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 -0.192 122.787 122.820 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 18.397 19.000 0.149 0.000 0.810 550 A HN 0.421 nan 8.150 nan 0.000 0.448 551 K N -1.388 119.008 120.400 -0.006 0.000 2.044 551 K HA -0.215 4.105 4.320 -0.000 0.000 0.210 551 K C 1.843 178.203 176.600 -0.401 0.000 1.049 551 K CA 2.048 58.238 56.287 -0.162 0.000 0.927 551 K CB -0.434 31.948 32.500 -0.196 0.000 0.713 551 K HN 0.666 nan 8.250 nan 0.000 0.443 552 Y N -0.519 119.491 120.300 -0.482 0.000 2.097 552 Y HA -0.278 4.272 4.550 -0.000 0.000 0.282 552 Y C 2.296 177.185 175.900 -1.684 0.000 1.152 552 Y CA 1.540 58.976 58.100 -1.106 0.000 1.136 552 Y CB -0.575 37.246 38.460 -1.065 0.000 0.975 552 Y HN 0.183 nan 8.280 nan 0.000 0.498 553 W N 0.365 121.227 121.300 -0.731 0.000 2.338 553 W HA -0.254 4.406 4.660 -0.000 0.000 0.304 553 W C 2.713 179.044 176.519 -0.314 0.000 1.212 553 W CA 2.042 59.090 57.345 -0.495 0.000 1.264 553 W CB -0.741 28.515 29.460 -0.339 0.000 1.142 553 W HN 0.153 nan 8.180 nan 0.000 0.512 554 Q N 0.204 119.895 119.800 -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 -0.398 28.298 28.738 -0.070 0.000 0.898 554 Q HN 0.228 nan 8.270 nan 0.000 0.430 555 A N 0.359 123.002 122.820 -0.294 0.000 1.902 555 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 555 A C 1.864 179.404 177.584 -0.074 0.000 1.181 555 A CA 1.126 53.034 52.037 -0.214 0.000 0.623 555 A CB -1.071 17.676 19.000 -0.422 0.000 0.818 555 A HN 0.535 nan 8.150 nan 0.000 0.443 556 F N -0.297 119.468 119.950 -0.308 0.000 2.120 556 F HA -0.242 4.285 4.527 -0.000 0.000 0.300 556 F C 2.757 178.452 175.800 -0.175 0.000 1.095 556 F CA 1.227 59.016 58.000 -0.353 0.000 1.249 556 F CB -0.190 38.396 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 -0.182 4.158 4.340 -0.000 0.000 0.227 557 R C 2.067 178.400 176.300 0.054 0.000 1.103 557 R CA 1.282 57.420 56.100 0.064 0.000 0.983 557 R CB -0.382 29.951 30.300 0.055 0.000 0.874 557 R HN 0.428 nan 8.270 nan 0.000 0.451 558 Q N -0.417 119.444 119.800 0.103 0.000 2.376 558 Q HA -0.016 4.324 4.340 -0.000 0.000 0.206 558 Q C -0.583 175.441 176.000 0.040 0.000 0.921 558 Q CA 0.533 56.381 55.803 0.074 0.000 0.911 558 Q CB 0.534 29.332 28.738 0.100 0.000 1.032 558 Q HN 0.177 nan 8.270 nan 0.000 0.510 559 Y N 0.331 120.607 120.300 -0.040 0.000 2.334 559 Y HA 0.312 4.862 4.550 -0.000 0.000 0.336 559 Y C -1.807 174.064 175.900 -0.049 0.000 0.960 559 Y CA -2.914 55.162 58.100 -0.039 0.000 1.164 559 Y CB 1.506 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 1.265 178.564 177.300 -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 -1.096 119.421 120.500 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 -0.554 29.755 30.300 0.015 0.000 0.888 561 R HN 0.289 nan 8.270 nan 0.000 0.471 562 L N 2.040 123.254 121.223 -0.014 0.000 2.282 562 L HA 0.131 4.471 4.340 -0.000 0.000 0.287 562 L C 0.682 177.413 176.870 -0.232 0.000 1.075 562 L CA 0.107 54.893 54.840 -0.090 0.000 0.839 562 L CB 1.183 43.258 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 0.845 176.440 176.000 -0.675 0.000 0.860 563 Q CA 0.101 55.658 55.803 -0.409 0.000 0.984 563 Q CB 0.978 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 -1.263 0.000 1.227 564 G CA -0.741 43.301 45.100 -1.764 0.000 1.041 564 G HN 0.583 nan 8.290 nan 0.000 0.546 565 G N -2.234 106.048 108.800 -0.863 0.000 2.342 565 G HA2 0.655 4.615 3.960 -0.000 0.000 0.297 565 G HA3 0.655 4.615 3.960 -0.000 0.000 0.297 565 G C -1.873 172.900 174.900 -0.213 0.000 1.313 565 G CA -0.323 44.479 45.100 -0.496 0.000 0.830 565 G HN 1.132 nan 8.290 nan 0.000 0.506 566 F N 0.491 120.667 119.950 0.376 0.000 2.449 566 F HA 0.542 5.069 4.527 -0.000 0.000 0.342 566 F C 0.676 176.752 175.800 0.459 0.000 1.127 566 F CA -0.774 57.471 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 3.173 123.381 119.914 0.490 0.000 2.811 567 V HA -0.052 4.068 4.120 -0.000 0.000 0.302 567 V C -0.402 175.840 176.094 0.247 0.000 1.063 567 V CA -0.438 61.961 62.300 0.166 0.000 1.088 567 V CB 1.009 32.903 31.823 0.119 0.000 0.982 567 V HN 0.765 nan 8.190 nan 0.000 0.485 568 W N 6.475 127.833 121.300 0.097 0.000 2.336 568 W HA 0.471 5.131 4.660 -0.000 0.000 0.315 568 W C -0.926 175.587 176.519 -0.010 0.000 1.016 568 W CA -0.627 56.800 57.345 0.136 0.000 1.318 568 W CB 1.379 31.053 29.460 0.357 0.000 1.247 568 W HN 0.902 nan 8.180 nan 0.000 0.414 569 D N 3.054 123.118 120.400 -0.560 0.000 2.752 569 D HA 0.071 4.711 4.640 -0.000 0.000 0.313 569 D C 0.664 176.727 176.300 -0.396 0.000 1.225 569 D CA -0.530 53.021 54.000 -0.749 0.000 0.976 569 D CB 0.306 40.033 40.800 -1.788 0.000 1.443 569 D HN 0.446 nan 8.370 nan 0.000 0.515 570 W N 0.727 121.697 121.300 -0.551 0.000 2.322 570 W HA -0.007 4.653 4.660 -0.000 0.000 0.326 570 W C -0.025 176.243 176.519 -0.418 0.000 1.224 570 W CA 1.515 58.591 57.345 -0.448 0.000 1.257 570 W CB 0.134 29.365 29.460 -0.383 0.000 1.174 570 W HN 0.216 nan 8.180 nan 0.000 0.460 571 V N 0.919 120.627 119.914 -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 -1.174 60.852 62.300 -0.457 0.000 0.931 571 V CB 1.385 33.059 31.823 -0.248 0.000 1.010 571 V HN -0.072 nan 8.190 nan 0.000 0.433 572 D N 2.057 122.265 120.400 -0.319 0.000 2.443 572 D HA 0.102 4.742 4.640 -0.000 0.000 0.239 572 D C 0.093 176.224 176.300 -0.281 0.000 1.136 572 D CA 0.367 54.227 54.000 -0.233 0.000 0.879 572 D CB 1.120 41.880 40.800 -0.066 0.000 1.195 572 D HN 0.630 nan 8.370 nan 0.000 0.443 573 Q N 0.982 120.564 119.800 -0.365 0.000 3.207 573 Q HA 0.150 4.490 4.340 -0.000 0.000 0.335 573 Q C -0.368 175.626 176.000 -0.010 0.000 1.374 573 Q CA -0.325 55.089 55.803 -0.649 0.000 1.023 573 Q CB 0.188 28.611 28.738 -0.526 0.000 1.576 573 Q HN 0.359 nan 8.270 nan 0.000 0.515 574 S N -0.011 115.792 115.700 0.171 0.000 2.549 574 S HA 0.689 5.159 4.470 -0.000 0.000 0.297 574 S C -0.246 174.549 174.600 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 1.719 123.054 121.223 0.186 0.000 2.330 575 L HA 0.593 4.933 4.340 -0.000 0.000 0.271 575 L C -0.423 176.366 176.870 -0.136 0.000 1.013 575 L CA -1.097 53.714 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 0.056 175.792 176.117 -0.635 0.000 1.016 576 I CA 0.158 61.193 61.300 -0.441 0.000 1.348 576 I CB 0.889 38.649 38.000 -0.400 0.000 1.417 576 I HN 0.518 nan 8.210 nan 0.000 0.521 577 K N 4.305 124.023 120.400 -1.137 0.000 2.466 577 K HA 0.585 4.905 4.320 -0.000 0.000 0.260 577 K C -1.779 174.048 176.600 -1.288 0.000 1.011 577 K CA -0.872 54.699 56.287 -1.195 0.000 0.871 577 K CB 2.316 33.816 32.500 -1.666 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 -0.026 176.016 175.900 0.237 0.000 0.987 578 Y CA -1.229 56.862 58.100 -0.015 0.000 1.044 578 Y CB 1.226 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 -0.023 120.248 120.200 0.117 0.000 2.130 580 E HA -0.213 4.137 4.350 -0.000 0.000 0.196 580 E C 0.782 177.420 176.600 0.063 0.000 0.998 580 E CA 1.365 57.806 56.400 0.069 0.000 0.806 580 E CB -0.666 29.058 29.700 0.039 0.000 0.738 580 E HN 0.427 nan 8.360 nan 0.000 0.459 581 N N 0.529 119.276 118.700 0.078 0.000 2.434 581 N HA 0.114 4.854 4.740 -0.000 0.000 0.196 581 N C 0.637 176.201 175.510 0.090 0.000 1.183 581 N CA 0.827 53.918 53.050 0.068 0.000 0.849 581 N CB 0.305 38.827 38.487 0.058 0.000 0.992 581 N HN 0.315 nan 8.380 nan 0.000 0.460 582 G N 0.725 109.596 108.800 0.118 0.000 2.273 582 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.280 582 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.280 582 G C -0.469 174.612 174.900 0.302 0.000 1.047 582 G CA -0.261 44.917 45.100 0.131 0.000 0.869 582 G HN 0.307 nan 8.290 nan 0.000 0.502 583 N N 1.025 119.923 118.700 0.329 0.000 2.421 583 N HA 0.489 5.229 4.740 -0.000 0.000 0.285 583 N C -2.464 173.222 175.510 0.294 0.000 1.027 583 N CA -1.483 51.746 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 -0.558 176.659 177.300 -0.139 0.000 1.239 584 P CA -0.314 62.505 63.100 -0.468 0.000 0.789 584 P CB 0.629 32.115 31.700 -0.356 0.000 0.933 585 W N -0.160 120.868 121.300 -0.455 0.000 3.213 585 W HA 0.382 5.042 4.660 -0.000 0.000 0.318 585 W C -1.492 174.841 176.519 -0.310 0.000 1.248 585 W CA -1.014 56.103 57.345 -0.381 0.000 1.187 585 W CB 0.264 29.363 29.460 -0.602 0.000 1.403 585 W HN 0.149 nan 8.180 nan 0.000 0.556 586 S N 1.892 117.661 115.700 0.114 0.000 2.481 586 S HA 0.556 5.026 4.470 -0.000 0.000 0.276 586 S C 0.198 174.980 174.600 0.303 0.000 1.247 586 S CA -0.246 58.024 58.200 0.117 0.000 1.053 586 S CB 0.975 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 2.834 125.693 122.820 0.065 0.000 2.337 587 A HA 0.878 5.198 4.320 -0.000 0.000 0.331 587 A C -0.630 177.255 177.584 0.501 0.000 1.137 587 A CA -0.821 51.318 52.037 0.170 0.000 0.807 587 A CB 0.703 19.540 19.000 -0.271 0.000 1.250 587 A HN 0.870 nan 8.150 nan 0.000 0.468 588 Y N -0.760 119.896 120.300 0.594 0.000 2.965 588 Y HA 0.766 5.316 4.550 -0.000 0.000 0.310 588 Y C 0.619 176.899 175.900 0.633 0.000 1.480 588 Y CA -1.363 57.071 58.100 0.557 0.000 1.094 588 Y CB -0.019 38.591 38.460 0.250 0.000 1.377 588 Y HN 0.959 nan 8.280 nan 0.000 0.514 589 G N 0.013 109.212 108.800 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 0.544 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 0.882 175.996 174.900 0.357 0.000 0.987 590 G CA 0.716 46.049 45.100 0.388 0.000 0.625 590 G HN 0.669 nan 8.290 nan 0.000 0.532 591 D N -0.358 120.290 120.400 0.413 0.000 2.392 591 D HA 0.145 4.785 4.640 -0.000 0.000 0.228 591 D C 1.251 177.409 176.300 -0.236 0.000 1.003 591 D CA 0.558 54.630 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 -1.066 118.998 119.950 0.190 0.000 2.735 592 F HA 0.313 4.840 4.527 -0.000 0.000 0.308 592 F C 1.740 177.622 175.800 0.137 0.000 1.112 592 F CA -0.294 57.782 58.000 0.127 0.000 1.235 592 F CB 0.598 39.667 39.000 0.116 0.000 1.027 592 F HN -0.070 nan 8.300 nan 0.000 0.528 593 G N 0.746 109.706 108.800 0.267 0.000 2.155 593 G HA2 -0.296 3.663 3.960 -0.000 0.000 0.257 593 G HA3 -0.296 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 0.305 45.529 45.100 0.207 0.000 0.676 593 G HN 0.431 nan 8.290 nan 0.000 0.528 594 D N 0.448 121.044 120.400 0.327 0.000 2.425 594 D HA 0.429 5.069 4.640 -0.000 0.000 0.247 594 D C 0.009 176.441 176.300 0.219 0.000 1.147 594 D CA 0.532 54.711 54.000 0.299 0.000 0.879 594 D CB 1.189 42.224 40.800 0.392 0.000 1.179 594 D HN 0.059 nan 8.370 nan 0.000 0.456 595 T N 2.333 116.986 114.554 0.166 0.000 2.916 595 T HA 0.482 4.832 4.350 -0.000 0.000 0.298 595 T C -2.359 172.384 174.700 0.073 0.000 1.031 595 T CA -0.950 61.215 62.100 0.107 0.000 0.993 595 T CB 1.975 70.900 68.868 0.095 0.000 1.045 595 T HN 0.382 nan 8.240 nan 0.000 0.454 596 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 -1.163 117.525 118.700 -0.019 0.000 2.610 597 N HA 0.172 4.912 4.740 -0.000 0.000 0.264 597 N C -1.063 174.409 175.510 -0.064 0.000 1.348 597 N CA -0.533 52.492 53.050 -0.042 0.000 0.819 597 N CB 1.532 40.093 38.487 0.124 0.000 1.521 597 N HN 0.202 nan 8.380 nan 0.000 0.497 598 D N 0.009 120.348 120.400 -0.101 0.000 2.462 598 D HA 0.187 4.827 4.640 -0.000 0.000 0.221 598 D C 0.373 176.851 176.300 0.298 0.000 1.173 598 D CA -0.197 53.807 54.000 0.006 0.000 0.831 598 D CB 0.942 41.612 40.800 -0.216 0.000 1.001 598 D HN 0.552 nan 8.370 nan 0.000 0.499 599 R N 0.117 120.826 120.500 0.349 0.000 3.853 599 R HA -0.334 4.006 4.340 -0.000 0.000 0.440 599 R C 1.389 177.721 176.300 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 0.268 119.801 119.800 -0.444 0.000 2.291 600 Q HA -0.028 4.312 4.340 -0.000 0.000 0.206 600 Q C 1.717 177.537 176.000 -0.301 0.000 0.976 600 Q CA 1.659 57.075 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 1.093 120.917 119.950 -0.210 0.000 2.214 601 F HA -0.301 4.226 4.527 -0.000 0.000 0.302 601 F C 1.693 177.399 175.800 -0.156 0.000 1.063 601 F CA 1.231 59.190 58.000 -0.069 0.000 1.319 601 F CB -0.234 38.813 39.000 0.078 0.000 1.046 601 F HN 0.357 nan 8.300 nan 0.000 0.505 602 C N -1.349 117.577 119.300 -0.624 0.000 2.576 602 C HA 0.222 4.682 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 -0.521 58.025 59.018 -0.786 0.000 1.723 602 C CB -1.935 24.887 27.740 -1.529 0.000 1.778 602 C HN 0.201 nan 8.230 nan 0.000 0.572 603 M N 2.964 122.351 119.600 -0.356 0.000 2.036 603 M HA 0.340 4.820 4.480 -0.000 0.000 0.337 603 M C -0.474 175.658 176.300 -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 1.575 120.092 118.700 -0.305 0.000 2.232 604 N HA 0.163 4.903 4.740 -0.000 0.000 0.240 604 N C 0.210 175.474 175.510 -0.411 0.000 1.307 604 N CA -0.097 52.724 53.050 -0.381 0.000 0.859 604 N CB 1.349 39.651 38.487 -0.308 0.000 1.260 604 N HN 0.712 nan 8.380 nan 0.000 0.501 605 G N -0.011 108.532 108.800 -0.429 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 0.890 175.329 174.900 -0.767 0.000 1.182 605 G CA -0.473 44.286 45.100 -0.569 0.000 0.894 605 G HN 0.108 nan 8.290 nan 0.000 0.521 606 L N -0.242 120.524 121.223 -0.762 0.000 2.418 606 L HA 0.155 4.495 4.340 -0.000 0.000 0.218 606 L C 0.714 176.907 176.870 -1.128 0.000 1.125 606 L CA 0.274 54.656 54.840 -0.764 0.000 0.835 606 L CB -0.089 41.680 42.059 -0.484 0.000 0.953 606 L HN 0.394 nan 8.230 nan 0.000 0.454 607 V N -5.285 113.868 119.914 -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 -0.815 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 1.469 121.266 119.950 -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 -0.154 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 1.270 124.170 122.820 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 2.184 54.238 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 -3.094 117.292 120.400 -0.024 0.000 2.336 610 D HA 0.199 4.839 4.640 -0.000 0.000 0.229 610 D C 0.529 176.804 176.300 -0.042 0.000 1.061 610 D CA 0.014 53.976 54.000 -0.065 0.000 0.875 610 D CB -0.069 40.698 40.800 -0.054 0.000 0.904 610 D HN 0.185 nan 8.370 nan 0.000 0.525 611 R N -0.799 119.669 120.500 -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 57.069 56.100 -0.093 0.000 0.778 611 R CB -3.268 27.012 30.300 -0.032 0.000 1.289 611 R HN 0.562 nan 8.270 nan 0.000 0.454 612 T N -2.340 112.253 114.554 0.064 0.000 2.797 612 T HA 0.729 5.079 4.350 -0.000 0.000 0.279 612 T C -2.512 172.335 174.700 0.245 0.000 0.991 612 T CA -2.451 59.739 62.100 0.150 0.000 0.979 612 T CB 2.604 71.546 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 -0.144 177.200 177.300 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 2.944 121.800 119.070 -0.356 0.000 2.495 614 H HA 0.159 4.715 4.556 -0.000 0.000 0.350 614 H C -1.259 173.959 175.328 -0.184 0.000 1.202 614 H CA -2.085 53.745 56.048 -0.363 0.000 1.322 614 H CB 0.587 30.105 29.762 -0.406 0.000 1.544 614 H HN 0.300 nan 8.280 nan 0.000 0.565 615 P HA -0.121 nan 4.420 nan 0.000 0.219 615 P C 1.243 178.539 177.300 -0.007 0.000 1.150 615 P CA 1.278 64.366 63.100 -0.020 0.000 0.814 615 P CB -0.036 31.648 31.700 -0.026 0.000 0.787 616 A N 0.040 122.857 122.820 -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 -0.096 0.000 1.171 616 A CA 1.542 53.540 52.037 -0.066 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 -0.190 4.150 4.340 -0.000 0.000 0.213 617 L C 2.437 179.333 176.870 0.043 0.000 1.085 617 L CA 2.744 57.569 54.840 -0.025 0.000 0.760 617 L CB -0.808 41.232 42.059 -0.031 0.000 0.893 617 L HN 0.433 nan 8.230 nan 0.000 0.434 618 T N -1.520 113.066 114.554 0.053 0.000 2.812 618 T HA -0.162 4.188 4.350 -0.000 0.000 0.264 618 T C 1.698 176.491 174.700 0.155 0.000 1.042 618 T CA 1.203 63.388 62.100 0.142 0.000 1.140 618 T CB -0.159 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 1.708 121.947 120.200 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 1.402 57.846 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 0.909 123.625 122.820 -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 -0.252 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 -0.145 0.000 1.048 621 K CA 2.123 58.399 56.287 -0.019 0.000 0.926 621 K CB -0.351 32.272 32.500 0.206 0.000 0.713 621 K HN 0.660 nan 8.250 nan 0.000 0.444 622 H N 0.309 119.216 119.070 -0.271 0.000 2.326 622 H HA -0.019 4.537 4.556 -0.000 0.000 0.301 622 H C 1.920 176.974 175.328 -0.456 0.000 1.081 622 H CA 1.816 57.516 56.048 -0.580 0.000 1.334 622 H CB 0.012 29.440 29.762 -0.557 0.000 1.385 622 H HN 0.236 nan 8.280 nan 0.000 0.504 623 Q N 0.237 119.762 119.800 -0.459 0.000 2.291 623 Q HA -0.106 4.234 4.340 -0.000 0.000 0.206 623 Q C 1.655 177.116 176.000 -0.898 0.000 0.976 623 Q CA 1.243 56.686 55.803 -0.601 0.000 0.875 623 Q CB 0.014 28.510 28.738 -0.402 0.000 0.927 623 Q HN 0.731 nan 8.270 nan 0.000 0.450 624 Q N 0.758 120.024 119.800 -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 0.229 28.352 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 -0.037 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 0.321 55.842 55.803 -0.469 0.000 0.923 625 Q CB 0.322 28.933 28.738 -0.211 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 0.260 4.787 4.527 -0.000 0.000 0.302 626 F C -0.105 175.123 175.800 -0.953 0.000 1.130 626 F CA 0.003 57.517 58.000 -0.810 0.000 1.387 626 F CB 0.386 38.569 39.000 -1.362 0.000 1.107 626 F HN 0.352 nan 8.300 nan 0.000 0.577 627 F N 0.208 120.067 119.950 -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 40.110 39.000 -0.276 0.000 1.142 627 F HN -0.320 nan 8.300 nan 0.000 0.457 628 Q N 3.135 122.663 119.800 -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 54.876 55.803 -0.443 0.000 0.816 628 Q CB 3.045 31.674 28.738 -0.182 0.000 1.325 628 Q HN 0.538 nan 8.270 nan 0.000 0.446 629 F N 0.348 120.416 119.950 0.197 0.000 2.522 629 F HA 0.601 5.128 4.527 -0.000 0.000 0.324 629 F C 0.497 176.521 175.800 0.374 0.000 1.077 629 F CA -0.852 57.338 58.000 0.316 0.000 0.944 629 F CB 1.986 41.284 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 0.622 4.962 4.340 -0.000 0.000 0.288 630 R C -1.985 174.398 176.300 0.139 0.000 0.980 630 R CA -1.161 55.145 56.100 0.344 0.000 0.891 630 R CB 2.651 33.059 30.300 0.179 0.000 1.188 630 R HN 0.609 nan 8.270 nan 0.000 0.450 631 L N 1.504 122.700 121.223 -0.045 0.000 2.313 631 L HA 0.476 4.815 4.340 -0.000 0.000 0.283 631 L C -0.980 175.741 176.870 -0.249 0.000 1.013 631 L CA 0.151 54.730 54.840 -0.435 0.000 0.816 631 L CB 1.951 43.280 42.059 -1.217 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 -0.206 0.000 2.774 632 S HA 0.697 5.167 4.470 -0.000 0.000 0.297 632 S C 0.374 174.889 174.600 -0.141 0.000 1.143 632 S CA 0.225 58.344 58.200 -0.135 0.000 1.090 632 S CB 0.222 63.378 63.200 -0.073 0.000 1.019 632 S HN 1.475 nan 8.310 nan 0.000 0.482 633 G N 4.247 112.961 108.800 -0.142 0.000 2.574 633 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.301 633 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.301 633 G C 0.381 175.180 174.900 -0.168 0.000 1.166 633 G CA 0.586 45.608 45.100 -0.130 0.000 0.971 633 G HN 0.645 nan 8.290 nan 0.000 0.542 634 Q N 1.241 120.950 119.800 -0.152 0.000 2.198 634 Q HA 0.239 4.579 4.340 -0.000 0.000 0.209 634 Q C -0.067 175.815 176.000 -0.197 0.000 0.848 634 Q CA 0.608 56.301 55.803 -0.182 0.000 0.974 634 Q CB 0.708 29.357 28.738 -0.149 0.000 1.115 634 Q HN 0.547 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 0.023 174.624 174.700 -0.165 0.000 0.991 635 T CA -0.400 61.611 62.100 -0.148 0.000 0.979 635 T CB 1.573 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 2.402 122.897 120.570 -0.125 0.000 2.359 636 I HA 0.349 4.519 4.170 -0.000 0.000 0.294 636 I C 0.447 176.596 176.117 0.053 0.000 0.987 636 I CA -0.716 60.547 61.300 -0.062 0.000 1.225 636 I CB 1.539 39.530 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 0.475 4.825 4.350 -0.000 0.000 0.278 637 E C -1.553 175.157 176.600 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 3.803 123.803 119.914 0.144 0.000 2.513 638 V HA 0.411 4.531 4.120 -0.000 0.000 0.299 638 V C -0.116 176.003 176.094 0.041 0.000 1.035 638 V CA -0.621 61.733 62.300 0.090 0.000 0.889 638 V CB 1.928 33.832 31.823 0.135 0.000 0.988 638 V HN 0.741 nan 8.190 nan 0.000 0.440 639 T N 2.677 117.211 114.554 -0.033 0.000 2.848 639 T HA 0.373 4.723 4.350 -0.000 0.000 0.285 639 T C -0.313 174.380 174.700 -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 1.594 117.294 115.700 0.000 0.000 2.480 640 S HA 0.261 4.731 4.470 -0.000 0.000 0.286 640 S C 0.618 175.108 174.600 -0.183 0.000 1.180 640 S CA -0.586 57.559 58.200 -0.092 0.000 1.075 640 S CB 0.578 63.799 63.200 0.035 0.000 0.996 640 S HN 0.708 nan 8.310 nan 0.000 0.487 641 E N 3.216 123.207 120.200 -0.349 0.000 2.451 641 E HA 0.100 4.450 4.350 -0.000 0.000 0.194 641 E C -0.906 175.530 176.600 -0.273 0.000 1.027 641 E CA -0.076 56.152 56.400 -0.287 0.000 0.914 641 E CB 0.353 29.859 29.700 -0.324 0.000 1.054 641 E HN 0.673 nan 8.360 nan 0.000 0.461 642 Y N 0.451 120.653 120.300 -0.163 0.000 2.319 642 Y HA 0.092 4.642 4.550 -0.000 0.000 0.328 642 Y C 1.396 177.144 175.900 -0.254 0.000 1.133 642 Y CA -0.252 57.731 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 -0.022 nan 8.280 nan 0.000 0.508 643 L N 1.711 122.791 121.223 -0.238 0.000 2.298 643 L HA 0.019 4.359 4.340 -0.000 0.000 0.209 643 L C 0.669 177.087 176.870 -0.752 0.000 1.084 643 L CA 0.932 55.362 54.840 -0.683 0.000 0.816 643 L CB 0.005 41.208 42.059 -1.426 0.000 0.967 643 L HN 0.679 nan 8.230 nan 0.000 0.460 644 F N -0.607 119.363 119.950 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 39.329 39.000 -0.057 0.000 1.027 644 F HN -0.110 nan 8.300 nan 0.000 0.607 645 R N -0.221 120.312 120.500 0.055 0.000 2.674 645 R HA 0.521 4.861 4.340 -0.000 0.000 0.266 645 R C -1.113 175.173 176.300 -0.024 0.000 1.016 645 R CA -0.727 55.344 56.100 -0.048 0.000 1.062 645 R CB 0.773 30.941 30.300 -0.220 0.000 1.142 645 R HN 0.045 nan 8.270 nan 0.000 0.517 646 H N -0.158 118.879 119.070 -0.055 0.000 2.483 646 H HA 0.170 4.726 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 -0.319 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 0.747 nan 8.280 nan 0.000 0.530 647 S N 2.171 117.737 115.700 -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 0.555 121.073 120.400 0.196 0.000 2.328 648 D HA 0.012 4.652 4.640 -0.000 0.000 0.226 648 D C 0.432 176.791 176.300 0.099 0.000 1.066 648 D CA -0.119 53.981 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 0.008 118.767 118.700 0.098 0.000 2.622 649 N HA 0.125 4.865 4.740 -0.000 0.000 0.293 649 N C -1.581 173.986 175.510 0.094 0.000 1.788 649 N CA -0.246 52.851 53.050 0.079 0.000 0.860 649 N CB 0.275 38.796 38.487 0.057 0.000 1.388 649 N HN -0.068 nan 8.380 nan 0.000 0.496 650 E N 0.090 120.342 120.200 0.086 0.000 2.246 650 E HA 0.447 4.797 4.350 -0.000 0.000 0.266 650 E C -1.575 175.054 176.600 0.048 0.000 0.880 650 E CA -0.597 55.837 56.400 0.057 0.000 0.762 650 E CB 1.956 31.657 29.700 0.003 0.000 1.180 650 E HN 0.076 nan 8.360 nan 0.000 0.416 651 L N 3.427 124.679 121.223 0.049 0.000 2.341 651 L HA 0.542 4.882 4.340 -0.000 0.000 0.278 651 L C -1.511 175.422 176.870 0.106 0.000 1.005 651 L CA -0.922 53.973 54.840 0.092 0.000 0.818 651 L CB 1.543 43.672 42.059 0.116 0.000 1.259 651 L HN 0.595 nan 8.230 nan 0.000 0.418 652 L N 5.124 126.454 121.223 0.178 0.000 2.262 652 L HA 0.446 4.786 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 0.076 55.051 54.840 0.224 0.000 0.820 652 L CB 0.383 42.569 42.059 0.212 0.000 1.204 652 L HN 0.569 nan 8.230 nan 0.000 0.424 653 H N 5.751 124.881 119.070 0.100 0.000 2.467 653 H HA 0.381 4.937 4.556 -0.000 0.000 0.326 653 H C -1.097 174.305 175.328 0.124 0.000 1.094 653 H CA -0.704 55.364 56.048 0.033 0.000 1.253 653 H CB 0.967 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 3.433 124.802 121.300 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 1.577 31.084 29.460 0.078 0.000 1.449 654 W HN 0.605 nan 8.180 nan 0.000 0.572 655 M N 1.191 121.146 119.600 0.591 0.000 2.569 655 M HA 0.528 5.008 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 54.989 55.300 0.348 0.000 0.885 655 M CB 1.767 34.373 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 -0.189 176.021 176.094 0.193 0.000 1.031 656 V CA 0.021 62.495 62.300 0.291 0.000 0.871 656 V CB 1.175 33.173 31.823 0.293 0.000 0.988 656 V HN 1.136 nan 8.190 nan 0.000 0.432 657 A N 4.165 127.111 122.820 0.209 0.000 2.539 657 A HA 0.899 5.219 4.320 -0.000 0.000 0.296 657 A C -1.649 176.068 177.584 0.221 0.000 1.073 657 A CA -0.614 51.518 52.037 0.158 0.000 0.700 657 A CB 1.831 20.877 19.000 0.078 0.000 1.296 657 A HN 0.842 nan 8.150 nan 0.000 0.405 658 L N 1.254 122.572 121.223 0.159 0.000 2.294 658 L HA 0.580 4.920 4.340 -0.000 0.000 0.283 658 L C -0.458 176.518 176.870 0.177 0.000 1.015 658 L CA 0.285 55.234 54.840 0.181 0.000 0.831 658 L CB 0.502 42.630 42.059 0.115 0.000 1.217 658 L HN 0.769 nan 8.230 nan 0.000 0.420 659 D N 4.660 125.236 120.400 0.293 0.000 2.733 659 D HA -0.211 4.428 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 1.655 55.807 54.000 0.252 0.000 0.653 659 D CB -0.992 39.923 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 -0.118 0.000 1.003 660 G CA 0.240 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 2.433 122.812 120.400 -0.034 0.000 2.285 661 K HA 0.542 4.862 4.320 -0.000 0.000 0.286 661 K C -2.555 174.045 176.600 0.001 0.000 1.072 661 K CA -1.890 54.382 56.287 -0.026 0.000 0.913 661 K CB 1.565 34.062 32.500 -0.005 0.000 1.067 661 K HN 0.131 nan 8.250 nan 0.000 0.479 662 P HA 0.078 nan 4.420 nan 0.000 0.276 662 P C -0.218 177.088 177.300 0.010 0.000 1.243 662 P CA -0.074 63.020 63.100 -0.010 0.000 0.768 662 P CB 0.759 32.429 31.700 -0.051 0.000 0.856 663 L N 1.447 122.697 121.223 0.045 0.000 2.642 663 L HA 0.524 4.864 4.340 -0.000 0.000 0.233 663 L C 0.864 177.771 176.870 0.062 0.000 1.077 663 L CA 0.211 55.082 54.840 0.053 0.000 0.879 663 L CB 0.210 42.316 42.059 0.080 0.000 1.151 663 L HN 0.368 nan 8.230 nan 0.000 0.495 664 A N 0.162 123.030 122.820 0.081 0.000 2.594 664 A HA 0.619 4.939 4.320 -0.000 0.000 0.296 664 A C -0.802 176.735 177.584 -0.079 0.000 1.056 664 A CA -0.120 51.966 52.037 0.081 0.000 0.693 664 A CB 1.555 20.727 19.000 0.286 0.000 1.278 664 A HN 0.051 nan 8.150 nan 0.000 0.408 665 S N 0.261 115.682 115.700 -0.465 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 -1.623 0.000 1.130 665 S CA -0.014 57.547 58.200 -1.064 0.000 0.855 665 S CB 1.611 64.481 63.200 -0.552 0.000 1.116 665 S HN 2.461 nan 8.310 nan 0.000 0.472 666 G N -0.159 107.248 108.800 -2.322 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 -2.020 172.346 174.900 -0.890 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 -1.164 118.887 120.200 -0.249 0.000 2.304 667 E HA 0.571 4.921 4.350 -0.000 0.000 0.277 667 E C -1.632 175.040 176.600 0.119 0.000 0.898 667 E CA -0.506 55.836 56.400 -0.096 0.000 0.764 667 E CB 2.904 32.483 29.700 -0.201 0.000 1.216 667 E HN 0.356 nan 8.360 nan 0.000 0.419 668 V N 4.765 124.795 119.914 0.194 0.000 2.777 668 V HA 0.464 4.583 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 60.724 62.300 0.174 0.000 0.917 668 V CB 2.170 34.112 31.823 0.198 0.000 1.018 668 V HN 0.576 nan 8.190 nan 0.000 0.426 669 P HA 0.337 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 1.048 32.802 31.700 0.091 0.000 0.913 670 L N 2.830 124.098 121.223 0.077 0.000 2.350 670 L HA 0.353 4.693 4.340 -0.000 0.000 0.275 670 L C 0.475 177.404 176.870 0.099 0.000 1.099 670 L CA 0.198 55.073 54.840 0.059 0.000 0.808 670 L CB 0.628 42.669 42.059 -0.029 0.000 1.149 670 L HN 0.360 nan 8.230 nan 0.000 0.442 671 D N 2.306 122.771 120.400 0.108 0.000 2.586 671 D HA 0.382 5.022 4.640 -0.000 0.000 0.254 671 D C -1.336 175.007 176.300 0.072 0.000 1.248 671 D CA -0.119 54.004 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 0.521 120.303 119.914 -0.221 0.000 2.656 672 V HA 0.930 5.050 4.120 -0.000 0.000 0.307 672 V C 0.589 176.379 176.094 -0.507 0.000 1.051 672 V CA -1.337 60.850 62.300 -0.188 0.000 0.893 672 V CB 1.457 33.297 31.823 0.027 0.000 0.999 672 V HN 0.454 nan 8.190 nan 0.000 0.426 673 A N 4.970 127.694 122.820 -0.160 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 -0.008 0.000 1.094 673 A CA -1.724 50.295 52.037 -0.030 0.000 0.807 673 A CB -0.038 19.034 19.000 0.120 0.000 1.047 673 A HN 0.724 nan 8.150 nan 0.000 0.487 674 P HA -0.033 nan 4.420 nan 0.000 0.261 674 P C -0.429 176.864 177.300 -0.012 0.000 1.173 674 P CA 0.732 63.844 63.100 0.020 0.000 0.760 674 P CB 0.211 31.909 31.700 -0.003 0.000 0.783 675 Q N -1.224 118.555 119.800 -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 -2.473 26.229 28.738 -0.060 0.000 1.615 675 Q HN 0.757 nan 8.270 nan 0.000 0.621 676 G N 0.231 109.033 108.800 0.003 0.000 2.552 676 G HA2 0.594 4.554 3.960 -0.000 0.000 0.318 676 G HA3 0.594 4.554 3.960 -0.000 0.000 0.318 676 G C -0.513 174.403 174.900 0.028 0.000 1.240 676 G CA -0.688 44.423 45.100 0.019 0.000 1.002 676 G HN -0.027 nan 8.290 nan 0.000 0.493 677 K N -0.408 120.013 120.400 0.035 0.000 2.267 677 K HA 0.468 4.788 4.320 -0.000 0.000 0.246 677 K C -0.868 175.765 176.600 0.056 0.000 0.954 677 K CA -0.570 55.743 56.287 0.044 0.000 0.824 677 K CB 2.372 34.893 32.500 0.034 0.000 1.167 677 K HN 0.556 nan 8.250 nan 0.000 0.431 678 Q N 3.170 123.011 119.800 0.068 0.000 2.305 678 Q HA 0.354 4.694 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 0.073 0.000 0.798 678 Q CB 1.353 30.141 28.738 0.082 0.000 1.286 678 Q HN 0.532 nan 8.270 nan 0.000 0.435 679 L N 5.054 126.311 121.223 0.056 0.000 2.289 679 L HA 0.557 4.897 4.340 -0.000 0.000 0.285 679 L C -0.337 176.555 176.870 0.036 0.000 1.049 679 L CA -0.763 54.102 54.840 0.041 0.000 0.804 679 L CB 1.188 43.260 42.059 0.022 0.000 1.195 679 L HN 0.627 nan 8.230 nan 0.000 0.428 680 I N 2.810 123.393 120.570 0.022 0.000 2.439 680 I HA 0.249 4.419 4.170 -0.000 0.000 0.285 680 I C -0.253 175.831 176.117 -0.056 0.000 1.021 680 I CA -0.700 60.601 61.300 0.002 0.000 1.091 680 I CB 2.104 40.121 38.000 0.027 0.000 1.242 680 I HN 0.492 nan 8.210 nan 0.000 0.439 681 E N 6.509 126.679 120.200 -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 1.429 31.103 29.700 -0.043 0.000 1.055 681 E HN 0.475 nan 8.360 nan 0.000 0.409 682 L N 6.004 127.116 121.223 -0.184 0.000 2.325 682 L HA 0.362 4.702 4.340 -0.000 0.000 0.279 682 L C -1.917 174.845 176.870 -0.180 0.000 1.054 682 L CA -1.946 52.731 54.840 -0.271 0.000 0.804 682 L CB 1.336 43.152 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 -0.478 176.773 177.300 -0.083 0.000 1.223 683 P CA -0.433 62.624 63.100 -0.071 0.000 0.784 683 P CB 0.510 32.215 31.700 0.008 0.000 0.923 684 E N 1.432 121.607 120.200 -0.043 0.000 2.652 684 E HA -0.044 4.306 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 0.620 56.997 56.400 -0.038 0.000 0.947 684 E CB 0.109 29.799 29.700 -0.017 0.000 0.912 684 E HN 0.342 nan 8.360 nan 0.000 0.489 685 L N 6.302 127.498 121.223 -0.044 0.000 2.357 685 L HA 0.314 4.654 4.340 -0.000 0.000 0.273 685 L C -1.908 174.963 176.870 0.002 0.000 1.080 685 L CA -2.135 52.691 54.840 -0.023 0.000 0.803 685 L CB 0.679 42.705 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 -0.886 176.427 177.300 0.022 0.000 1.204 686 P CA -0.217 62.903 63.100 0.034 0.000 0.768 686 P CB 0.610 32.344 31.700 0.057 0.000 0.842 687 Q N 2.490 122.299 119.800 0.016 0.000 2.647 687 Q HA 0.247 4.587 4.340 -0.000 0.000 0.400 687 Q C -2.033 173.976 176.000 0.015 0.000 0.959 687 Q CA -1.708 54.101 55.803 0.010 0.000 1.079 687 Q CB -0.440 28.299 28.738 0.002 0.000 1.351 687 Q HN 0.401 nan 8.270 nan 0.000 0.411 688 P HA -0.158 nan 4.420 nan 0.000 0.268 688 P C 0.102 177.415 177.300 0.022 0.000 1.171 688 P CA 0.414 63.530 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 0.539 120.752 120.200 0.022 0.000 2.127 689 E HA 0.007 4.357 4.350 -0.000 0.000 0.191 689 E C 0.612 177.226 176.600 0.023 0.000 0.964 689 E CA 0.479 56.891 56.400 0.019 0.000 0.832 689 E CB -0.444 29.267 29.700 0.017 0.000 0.790 689 E HN 0.562 nan 8.360 nan 0.000 0.465 690 S N 1.287 117.004 115.700 0.028 0.000 2.537 690 S HA 0.156 4.625 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 0.163 58.383 58.200 0.034 0.000 1.025 690 S CB 0.516 63.739 63.200 0.037 0.000 0.836 690 S HN 0.292 nan 8.310 nan 0.000 0.523 691 A N 1.002 123.848 122.820 0.044 0.000 2.302 691 A HA 0.818 5.138 4.320 -0.000 0.000 0.285 691 A C 0.810 178.433 177.584 0.065 0.000 1.105 691 A CA 0.176 52.242 52.037 0.049 0.000 0.816 691 A CB 0.224 19.253 19.000 0.049 0.000 1.067 691 A HN 1.774 nan 8.150 nan 0.000 0.489 692 G N -0.036 108.805 108.800 0.068 0.000 2.357 692 G HA2 0.324 4.284 3.960 -0.000 0.000 0.289 692 G HA3 0.324 4.284 3.960 -0.000 0.000 0.289 692 G C -1.381 173.569 174.900 0.083 0.000 1.302 692 G CA -0.881 44.278 45.100 0.098 0.000 0.936 692 G HN 0.839 nan 8.290 nan 0.000 0.513 693 Q N -0.574 119.311 119.800 0.142 0.000 2.293 693 Q HA 0.615 4.955 4.340 -0.000 0.000 0.261 693 Q C -0.919 175.180 176.000 0.165 0.000 0.960 693 Q CA -0.761 55.092 55.803 0.084 0.000 0.882 693 Q CB 2.402 31.241 28.738 0.169 0.000 1.275 693 Q HN 0.463 nan 8.270 nan 0.000 0.445 694 L N 3.628 124.824 121.223 -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 0.450 42.506 42.059 -0.006 0.000 1.205 694 L HN 0.567 nan 8.230 nan 0.000 0.422 695 W N 5.424 126.795 121.300 0.117 0.000 2.819 695 W HA 0.567 5.227 4.660 -0.000 0.000 0.337 695 W C -1.053 175.576 176.519 0.185 0.000 1.077 695 W CA -0.704 56.735 57.345 0.155 0.000 1.226 695 W CB 1.700 31.280 29.460 0.199 0.000 1.419 695 W HN 0.278 nan 8.180 nan 0.000 0.502 696 L N 3.044 124.568 121.223 0.501 0.000 2.295 696 L HA 0.818 5.158 4.340 -0.000 0.000 0.285 696 L C -0.366 176.820 176.870 0.525 0.000 1.035 696 L CA 0.144 55.253 54.840 0.449 0.000 0.806 696 L CB 1.313 43.576 42.059 0.339 0.000 1.214 696 L HN 0.372 nan 8.230 nan 0.000 0.426 697 T N 4.790 119.595 114.554 0.419 0.000 2.886 697 T HA 0.662 5.012 4.350 -0.000 0.000 0.292 697 T C -0.879 174.008 174.700 0.311 0.000 1.012 697 T CA -0.479 61.818 62.100 0.328 0.000 0.982 697 T CB 1.642 70.636 68.868 0.210 0.000 1.018 697 T HN 0.619 nan 8.240 nan 0.000 0.451 698 V N 1.256 121.306 119.914 0.227 0.000 2.680 698 V HA 0.864 4.984 4.120 -0.000 0.000 0.309 698 V C -0.773 175.386 176.094 0.109 0.000 1.052 698 V CA -1.118 61.277 62.300 0.160 0.000 0.908 698 V CB 1.903 33.744 31.823 0.030 0.000 1.001 698 V HN 0.841 nan 8.190 nan 0.000 0.431 699 R N 2.201 122.787 120.500 0.144 0.000 2.771 699 R HA 0.835 5.175 4.340 -0.000 0.000 0.274 699 R C -1.716 174.663 176.300 0.131 0.000 0.987 699 R CA -0.835 55.360 56.100 0.158 0.000 0.908 699 R CB 2.759 33.103 30.300 0.074 0.000 1.213 699 R HN 0.657 nan 8.270 nan 0.000 0.468 700 V N 2.871 122.887 119.914 0.169 0.000 2.384 700 V HA 0.433 4.553 4.120 -0.000 0.000 0.287 700 V C -0.456 175.671 176.094 0.056 0.000 1.020 700 V CA -0.658 61.711 62.300 0.114 0.000 0.850 700 V CB 1.736 33.644 31.823 0.141 0.000 0.987 700 V HN 0.442 nan 8.190 nan 0.000 0.436 701 V N 4.471 124.367 119.914 -0.029 0.000 2.680 701 V HA 0.478 4.598 4.120 -0.000 0.000 0.309 701 V C -0.400 175.707 176.094 0.022 0.000 1.052 701 V CA -0.848 61.421 62.300 -0.053 0.000 0.908 701 V CB 1.987 33.677 31.823 -0.222 0.000 1.001 701 V HN 0.867 nan 8.190 nan 0.000 0.431 702 Q N 4.136 123.976 119.800 0.066 0.000 2.465 702 Q HA 0.277 4.617 4.340 -0.000 0.000 0.237 702 Q C -1.837 174.185 176.000 0.035 0.000 1.051 702 Q CA -1.810 54.040 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 -0.513 176.790 177.300 0.005 0.000 1.163 703 P CA 1.395 64.508 63.100 0.022 0.000 0.889 703 P CB 0.284 32.005 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 -0.272 175.195 175.510 -0.072 0.000 1.133 704 N CA -0.645 52.388 53.050 -0.028 0.000 0.961 704 N CB 0.676 39.150 38.487 -0.022 0.000 1.186 704 N HN 0.016 nan 8.380 nan 0.000 0.493 705 A N 0.411 123.178 122.820 -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 -0.143 51.800 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 -3.523 110.806 114.554 -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 1.364 nan 8.240 nan 0.000 0.554 707 A N -0.167 122.536 122.820 -0.195 0.000 2.121 707 A HA 0.138 4.458 4.320 -0.000 0.000 0.218 707 A C 1.484 179.166 177.584 0.163 0.000 1.154 707 A CA 0.886 52.960 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 -0.972 120.375 121.300 0.077 0.000 2.518 708 W HA 0.430 5.090 4.660 -0.000 0.000 0.352 708 W C -0.186 176.292 176.519 -0.068 0.000 0.952 708 W CA 0.405 57.757 57.345 0.012 0.000 1.624 708 W CB -1.170 28.284 29.460 -0.011 0.000 1.135 708 W HN 0.404 nan 8.180 nan 0.000 0.540 709 S N 0.231 115.435 115.700 -0.826 0.000 2.556 709 S HA 0.450 4.919 4.470 -0.000 0.000 0.271 709 S C -0.560 173.774 174.600 -0.444 0.000 1.135 709 S CA -0.616 57.134 58.200 -0.751 0.000 0.858 709 S CB 2.815 65.176 63.200 -1.399 0.000 1.114 709 S HN 0.063 nan 8.310 nan 0.000 0.468 710 E N 0.871 120.929 120.200 -0.238 0.000 2.342 710 E HA 0.533 4.883 4.350 -0.000 0.000 0.257 710 E C 0.397 176.950 176.600 -0.079 0.000 1.150 710 E CA -0.561 55.772 56.400 -0.111 0.000 0.926 710 E CB 1.137 30.823 29.700 -0.023 0.000 1.074 710 E HN 0.881 nan 8.360 nan 0.000 0.449 711 A N -0.124 122.668 122.820 -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 0.555 52.578 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 0.328 109.141 108.800 0.022 0.000 2.160 712 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.244 712 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.244 712 G C 0.066 174.996 174.900 0.050 0.000 1.022 712 G CA 0.714 45.824 45.100 0.017 0.000 0.741 712 G HN 1.676 nan 8.290 nan 0.000 0.508 713 H N 0.087 119.146 119.070 -0.018 0.000 2.652 713 H HA 0.542 5.098 4.556 -0.000 0.000 0.349 713 H C 0.443 175.814 175.328 0.073 0.000 1.099 713 H CA -0.686 55.378 56.048 0.026 0.000 1.417 713 H CB 0.372 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 4.587 124.853 120.570 -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 -0.027 61.119 61.300 -0.256 0.000 1.302 714 I CB 0.776 38.700 38.000 -0.126 0.000 1.401 714 I HN 0.839 nan 8.210 nan 0.000 0.485 715 S N 3.799 119.567 115.700 0.113 0.000 2.526 715 S HA 0.663 5.133 4.470 -0.000 0.000 0.220 715 S C 0.490 175.344 174.600 0.424 0.000 1.017 715 S CA 0.117 58.515 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 0.609 123.715 122.820 0.477 0.000 2.605 716 A HA 0.675 4.995 4.320 -0.000 0.000 0.294 716 A C -1.731 176.216 177.584 0.605 0.000 1.062 716 A CA -0.903 51.406 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 -0.009 121.462 121.300 0.285 0.000 3.005 717 W HA 0.809 5.469 4.660 -0.000 0.000 0.343 717 W C -1.184 175.376 176.519 0.067 0.000 1.243 717 W CA -0.643 56.756 57.345 0.091 0.000 1.186 717 W CB 1.202 30.659 29.460 -0.005 0.000 1.453 717 W HN 1.105 nan 8.180 nan 0.000 0.575 718 Q N 1.709 121.566 119.800 0.096 0.000 2.574 718 Q HA 0.302 4.642 4.340 -0.000 0.000 0.265 718 Q C -1.562 174.233 176.000 -0.342 0.000 0.975 718 Q CA -0.575 55.101 55.803 -0.211 0.000 0.923 718 Q CB 1.975 30.425 28.738 -0.480 0.000 1.518 718 Q HN 0.674 nan 8.270 nan 0.000 0.401 719 Q N 2.609 122.182 119.800 -0.379 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 55.065 55.803 -0.124 0.000 0.814 719 Q CB 2.028 30.878 28.738 0.186 0.000 1.425 719 Q HN 0.633 nan 8.270 nan 0.000 0.437 720 W N 1.200 122.703 121.300 0.339 0.000 3.127 720 W HA 0.437 5.097 4.660 -0.000 0.000 0.330 720 W C -0.609 175.926 176.519 0.026 0.000 1.187 720 W CA -0.800 56.663 57.345 0.197 0.000 1.198 720 W CB 2.213 31.721 29.460 0.080 0.000 1.408 720 W HN 0.680 nan 8.180 nan 0.000 0.529 721 R N 2.599 122.998 120.500 -0.168 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 -0.140 55.452 56.100 -0.847 0.000 0.878 721 R CB 0.610 30.041 30.300 -1.448 0.000 1.067 721 R HN 0.607 nan 8.270 nan 0.000 0.457 722 L N 2.771 123.824 121.223 -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 1.019 55.765 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 -0.807 121.897 122.820 -0.194 0.000 2.588 723 A HA 0.622 4.942 4.320 -0.000 0.000 0.290 723 A C -1.420 176.075 177.584 -0.149 0.000 1.136 723 A CA -0.437 51.515 52.037 -0.142 0.000 0.681 723 A CB 1.856 20.808 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 -1.677 174.908 176.600 -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 4.597 123.296 118.700 -0.002 0.000 2.564 725 N HA 0.295 5.035 4.740 -0.000 0.000 0.248 725 N C -0.657 174.865 175.510 0.021 0.000 0.986 725 N CA -0.317 52.739 53.050 0.010 0.000 0.921 725 N CB 1.044 39.542 38.487 0.018 0.000 1.136 725 N HN 0.476 nan 8.380 nan 0.000 0.509 726 L N 0.673 121.907 121.223 0.018 0.000 2.456 726 L HA 0.131 4.471 4.340 -0.000 0.000 0.272 726 L C 1.199 178.089 176.870 0.033 0.000 1.189 726 L CA 0.112 54.969 54.840 0.028 0.000 0.846 726 L CB 0.543 42.617 42.059 0.025 0.000 1.111 726 L HN 0.331 nan 8.230 nan 0.000 0.475 727 S N 1.394 117.119 115.700 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 0.810 64.041 63.200 0.052 0.000 0.953 727 S HN 0.437 nan 8.310 nan 0.000 0.488 728 V N 2.572 122.506 119.914 0.032 0.000 3.376 728 V HA 0.299 4.419 4.120 -0.000 0.000 0.313 728 V C 0.869 176.979 176.094 0.028 0.000 1.393 728 V CA -0.016 62.301 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 0.112 114.685 114.554 0.031 0.000 2.902 729 T HA 0.755 5.105 4.350 -0.000 0.000 0.280 729 T C -0.515 174.202 174.700 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 1.814 123.052 121.223 0.025 0.000 2.334 730 L HA 0.599 4.939 4.340 -0.000 0.000 0.273 730 L C -1.969 174.912 176.870 0.019 0.000 1.013 730 L CA -2.125 52.728 54.840 0.022 0.000 0.816 730 L CB 0.530 42.599 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 2.648 125.464 122.820 -0.006 0.000 2.332 732 A HA 0.554 4.874 4.320 -0.000 0.000 0.258 732 A C 0.573 178.124 177.584 -0.055 0.000 1.087 732 A CA -0.194 51.832 52.037 -0.019 0.000 0.802 732 A CB -0.156 18.839 19.000 -0.009 0.000 1.042 732 A HN 0.738 nan 8.150 nan 0.000 0.489 733 A N 1.180 123.959 122.820 -0.068 0.000 2.520 733 A HA 0.487 4.807 4.320 -0.000 0.000 0.235 733 A C 0.788 178.204 177.584 -0.280 0.000 1.065 733 A CA 0.475 52.441 52.037 -0.119 0.000 0.764 733 A CB -0.423 18.532 19.000 -0.076 0.000 1.002 733 A HN 1.512 nan 8.150 nan 0.000 0.502 734 S N 0.716 116.257 115.700 -0.266 0.000 2.608 734 S HA 0.494 4.964 4.470 -0.000 0.000 0.291 734 S C 0.230 174.592 174.600 -0.398 0.000 1.146 734 S CA -0.726 57.267 58.200 -0.344 0.000 1.043 734 S CB 0.831 63.950 63.200 -0.136 0.000 1.037 734 S HN 0.668 nan 8.310 nan 0.000 0.520 735 H N 0.201 119.281 119.070 0.017 0.000 2.539 735 H HA 0.558 5.113 4.556 -0.000 0.000 0.269 735 H C 0.584 175.919 175.328 0.013 0.000 0.980 735 H CA 0.552 56.607 56.048 0.013 0.000 1.152 735 H CB -0.092 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 0.951 123.804 122.820 0.054 0.000 2.599 736 A HA 0.618 4.938 4.320 -0.000 0.000 0.290 736 A C -1.062 176.538 177.584 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 -1.548 119.043 120.570 0.036 0.000 2.865 737 I HA 0.790 4.960 4.170 -0.000 0.000 0.302 737 I C -2.874 173.280 176.117 0.062 0.000 1.140 737 I CA -2.582 58.737 61.300 0.032 0.000 1.021 737 I CB 2.403 40.411 38.000 0.013 0.000 1.233 737 I HN 0.392 nan 8.210 nan 0.000 0.427 738 P HA 0.014 nan 4.420 nan 0.000 0.269 738 P C -1.327 176.061 177.300 0.147 0.000 1.211 738 P CA 0.382 63.539 63.100 0.096 0.000 0.781 738 P CB 0.191 31.905 31.700 0.024 0.000 0.877 739 H N 1.899 120.998 119.070 0.048 0.000 2.587 739 H HA 0.370 4.926 4.556 -0.000 0.000 0.325 739 H C -1.014 174.340 175.328 0.045 0.000 1.012 739 H CA -1.109 54.960 56.048 0.036 0.000 1.213 739 H CB 0.953 30.738 29.762 0.038 0.000 1.431 739 H HN 0.201 nan 8.280 nan 0.000 0.492 740 L N 5.072 126.171 121.223 -0.206 0.000 2.326 740 L HA 0.315 4.655 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 0.276 54.971 54.840 -0.242 0.000 0.810 740 L CB 1.388 43.370 42.059 -0.127 0.000 1.153 740 L HN 0.644 nan 8.230 nan 0.000 0.439 741 T N 3.025 117.467 114.554 -0.187 0.000 2.921 741 T HA 0.428 4.778 4.350 -0.000 0.000 0.297 741 T C -0.635 174.114 174.700 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 2.591 117.212 114.554 0.112 0.000 2.821 742 T HA 0.487 4.837 4.350 -0.000 0.000 0.307 742 T C 0.605 175.367 174.700 0.104 0.000 1.034 742 T CA -0.479 61.745 62.100 0.208 0.000 0.953 742 T CB 1.032 70.051 68.868 0.252 0.000 0.968 742 T HN 0.636 nan 8.240 nan 0.000 0.462 743 S N 2.160 117.896 115.700 0.059 0.000 2.598 743 S HA 0.251 4.721 4.470 -0.000 0.000 0.267 743 S C 1.291 175.869 174.600 -0.036 0.000 1.189 743 S CA -0.332 57.871 58.200 0.006 0.000 1.010 743 S CB 0.994 64.192 63.200 -0.004 0.000 1.084 743 S HN 0.778 nan 8.310 nan 0.000 0.541 744 E N -0.989 119.182 120.200 -0.048 0.000 2.364 744 E HA 0.065 4.415 4.350 -0.000 0.000 0.196 744 E C 1.397 177.929 176.600 -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 -0.318 175.892 176.300 -0.150 0.000 1.129 745 M CA 0.788 56.029 55.300 -0.098 0.000 1.126 745 M CB -0.255 32.320 32.600 -0.042 0.000 1.359 745 M HN 0.112 nan 8.290 nan 0.000 0.471 746 D N -2.091 118.186 120.400 -0.204 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 -0.246 0.000 1.390 746 D CA -0.701 53.142 54.000 -0.262 0.000 0.838 746 D CB 0.636 41.419 40.800 -0.029 0.000 1.416 746 D HN -0.039 nan 8.370 nan 0.000 0.493 750 E N 4.340 124.684 120.200 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 3.797 125.179 121.223 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 3.807 112.657 108.800 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 0.566 175.466 174.900 0.000 0.000 1.175 752 G CA 0.475 45.598 45.100 0.038 0.000 0.962 752 G HN 1.059 nan 8.290 nan 0.000 0.560 753 N N 1.010 119.695 118.700 -0.025 0.000 2.396 753 N HA 0.005 4.745 4.740 -0.000 0.000 0.180 753 N C 0.834 176.282 175.510 -0.103 0.000 1.028 753 N CA 1.450 54.466 53.050 -0.057 0.000 0.893 753 N CB -0.156 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 0.386 120.705 120.400 -0.135 0.000 2.270 754 K HA 0.315 4.635 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 -0.074 56.007 56.287 -0.343 0.000 0.955 754 K CB 1.000 33.232 32.500 -0.447 0.000 0.975 754 K HN 0.047 nan 8.250 nan 0.000 0.471 755 R N 1.670 121.832 120.500 -0.563 0.000 2.604 755 R HA 0.355 4.695 4.340 -0.000 0.000 0.270 755 R C -1.698 174.471 176.300 -0.218 0.000 1.052 755 R CA -0.647 55.331 56.100 -0.203 0.000 0.902 755 R CB 1.348 31.596 30.300 -0.087 0.000 1.233 755 R HN 0.598 nan 8.270 nan 0.000 0.455 756 W N 3.038 124.444 121.300 0.177 0.000 2.883 756 W HA 0.344 5.004 4.660 -0.000 0.000 0.335 756 W C -0.746 175.852 176.519 0.132 0.000 1.083 756 W CA -0.555 56.851 57.345 0.101 0.000 1.233 756 W CB 2.259 31.750 29.460 0.051 0.000 1.412 756 W HN 0.428 nan 8.180 nan 0.000 0.490 757 Q N 2.651 122.585 119.800 0.224 0.000 2.337 757 Q HA 0.481 4.821 4.340 -0.000 0.000 0.270 757 Q C -2.021 173.905 176.000 -0.124 0.000 1.043 757 Q CA -0.504 55.411 55.803 0.187 0.000 0.794 757 Q CB 1.806 30.721 28.738 0.295 0.000 1.281 757 Q HN 0.372 nan 8.270 nan 0.000 0.446 758 F N 2.783 122.826 119.950 0.155 0.000 2.426 758 F HA 0.316 4.843 4.527 -0.000 0.000 0.348 758 F C 0.624 176.445 175.800 0.035 0.000 1.124 758 F CA -0.813 57.245 58.000 0.096 0.000 1.008 758 F CB 1.379 40.455 39.000 0.126 0.000 1.139 758 F HN 0.518 nan 8.300 nan 0.000 0.452 759 N N 3.480 122.279 118.700 0.164 0.000 2.497 759 N HA 0.076 4.816 4.740 -0.000 0.000 0.268 759 N C 0.886 176.397 175.510 0.001 0.000 1.171 759 N CA 0.049 53.140 53.050 0.069 0.000 0.948 759 N CB 0.793 39.331 38.487 0.085 0.000 1.069 759 N HN 0.708 nan 8.380 nan 0.000 0.460 760 R N 1.364 121.786 120.500 -0.130 0.000 2.236 760 R HA -0.030 4.310 4.340 -0.000 0.000 0.208 760 R C 1.457 177.681 176.300 -0.127 0.000 1.036 760 R CA 0.966 56.931 56.100 -0.225 0.000 1.001 760 R CB 0.241 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 -0.480 119.279 119.800 -0.067 0.000 2.373 761 Q HA 0.040 4.380 4.340 -0.000 0.000 0.210 761 Q C 1.741 177.724 176.000 -0.028 0.000 0.913 761 Q CA 1.212 56.986 55.803 -0.048 0.000 0.911 761 Q CB 0.242 28.966 28.738 -0.022 0.000 1.040 761 Q HN 0.223 nan 8.270 nan 0.000 0.521 762 S N 0.298 116.006 115.700 0.015 0.000 2.439 762 S HA 0.227 4.697 4.470 -0.000 0.000 0.224 762 S C 1.599 176.114 174.600 -0.142 0.000 1.029 762 S CA 0.793 59.031 58.200 0.064 0.000 0.946 762 S CB -0.078 63.284 63.200 0.271 0.000 0.797 762 S HN 0.585 nan 8.310 nan 0.000 0.504 763 G N 0.431 109.163 108.800 -0.113 0.000 2.143 763 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.248 763 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.248 763 G C -0.106 174.653 174.900 -0.236 0.000 0.991 763 G CA 0.364 45.362 45.100 -0.170 0.000 0.689 763 G HN 0.534 nan 8.290 nan 0.000 0.522 764 F N -1.361 118.775 119.950 0.309 0.000 2.575 764 F HA 0.681 5.207 4.527 -0.000 0.000 0.330 764 F C 0.464 176.337 175.800 0.123 0.000 1.056 764 F CA -1.469 56.690 58.000 0.265 0.000 0.964 764 F CB 1.383 40.484 39.000 0.168 0.000 1.258 764 F HN 0.011 nan 8.300 nan 0.000 0.484 765 L N 1.553 122.903 121.223 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 0.784 55.364 54.840 -0.434 0.000 0.880 765 L CB 0.248 42.066 42.059 -0.402 0.000 1.192 765 L HN 0.635 nan 8.230 nan 0.000 0.463 766 S N 2.659 118.265 115.700 -0.158 0.000 2.456 766 S HA 0.144 4.614 4.470 -0.000 0.000 0.224 766 S C 0.343 174.849 174.600 -0.156 0.000 1.035 766 S CA 0.331 58.490 58.200 -0.068 0.000 0.940 766 S CB 0.039 63.240 63.200 0.001 0.000 0.799 766 S HN 0.741 nan 8.310 nan 0.000 0.508 767 Q N -0.153 119.501 119.800 -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 54.931 55.803 -0.441 0.000 0.785 767 Q CB 1.349 29.711 28.738 -0.627 0.000 1.467 767 Q HN 0.262 nan 8.270 nan 0.000 0.401 768 M N 0.322 119.478 119.600 -0.739 0.000 2.465 768 M HA 0.782 5.262 4.480 -0.000 0.000 0.284 768 M C -1.963 173.918 176.300 -0.697 0.000 1.212 768 M CA -0.289 54.658 55.300 -0.588 0.000 0.910 768 M CB 1.998 34.285 32.600 -0.521 0.000 1.725 768 M HN 0.510 nan 8.290 nan 0.000 0.477 769 W N 3.278 124.353 121.300 -0.376 0.000 2.844 769 W HA 0.693 5.353 4.660 -0.000 0.000 0.340 769 W C -1.523 174.789 176.519 -0.345 0.000 1.093 769 W CA -0.897 56.278 57.345 -0.283 0.000 1.212 769 W CB 2.002 31.330 29.460 -0.219 0.000 1.422 769 W HN 0.578 nan 8.180 nan 0.000 0.515 770 I N 2.141 122.718 120.570 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 0.249 61.507 61.300 -0.071 0.000 1.104 770 I CB 1.269 39.199 38.000 -0.116 0.000 1.264 770 I HN 0.722 nan 8.210 nan 0.000 0.438 771 G N 5.596 114.382 108.800 -0.022 0.000 2.583 771 G HA2 -0.301 3.658 3.960 -0.000 0.000 0.292 771 G HA3 -0.301 3.658 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 0.746 121.181 120.400 0.058 0.000 2.402 772 D HA 0.231 4.871 4.640 -0.000 0.000 0.216 772 D C 0.585 177.024 176.300 0.233 0.000 1.128 772 D CA 0.133 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 0.995 121.502 120.400 0.178 0.000 2.211 773 K HA 0.295 4.615 4.320 -0.000 0.000 0.275 773 K C -0.069 176.504 176.600 -0.045 0.000 1.024 773 K CA -0.505 55.826 56.287 0.073 0.000 0.887 773 K CB 1.851 34.350 32.500 -0.001 0.000 1.084 773 K HN -0.155 nan 8.250 nan 0.000 0.463 774 K N 1.810 122.089 120.400 -0.202 0.000 2.258 774 K HA 0.048 4.368 4.320 -0.000 0.000 0.264 774 K C 0.757 177.149 176.600 -0.348 0.000 1.007 774 K CA -0.158 55.791 56.287 -0.563 0.000 0.941 774 K CB 0.726 32.945 32.500 -0.469 0.000 0.966 774 K HN 0.434 nan 8.250 nan 0.000 0.480 775 Q N 0.985 120.553 119.800 -0.387 0.000 2.316 775 Q HA 0.214 4.554 4.340 -0.000 0.000 0.235 775 Q C -0.138 175.778 176.000 -0.140 0.000 0.863 775 Q CA 0.413 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 0.748 121.837 121.223 -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 43.636 42.059 -0.170 0.000 1.298 776 L HN -0.119 nan 8.230 nan 0.000 0.420 777 L N -0.546 120.545 121.223 -0.220 0.000 2.513 777 L HA 0.275 4.615 4.340 -0.000 0.000 0.222 777 L C 0.428 177.185 176.870 -0.188 0.000 1.096 777 L CA 0.560 55.276 54.840 -0.208 0.000 0.857 777 L CB 0.053 41.975 42.059 -0.229 0.000 1.026 777 L HN 0.577 nan 8.230 nan 0.000 0.469 778 T N 0.605 115.033 114.554 -0.210 0.000 2.912 778 T HA 0.428 4.778 4.350 -0.000 0.000 0.299 778 T C -2.656 171.989 174.700 -0.092 0.000 1.052 778 T CA -1.166 60.853 62.100 -0.135 0.000 0.996 778 T CB 2.631 71.397 68.868 -0.171 0.000 1.070 778 T HN -0.225 nan 8.240 nan 0.000 0.465 779 P HA 0.228 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 -0.734 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 3.927 125.162 121.223 0.020 0.000 2.361 780 L HA 0.291 4.631 4.340 -0.000 0.000 0.278 780 L C 0.578 177.390 176.870 -0.096 0.000 1.113 780 L CA 0.586 55.459 54.840 0.055 0.000 0.849 780 L CB -0.541 41.660 42.059 0.238 0.000 1.155 780 L HN 0.465 nan 8.230 nan 0.000 0.452 781 R N 2.098 122.486 120.500 -0.188 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 -0.382 0.000 0.893 781 R CB 0.410 30.132 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 -0.444 175.494 176.300 -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 41.191 40.800 -0.411 0.000 1.199 782 D HN 0.353 nan 8.370 nan 0.000 0.438 783 Q N 1.135 120.357 119.800 -0.963 0.000 2.271 783 Q HA 0.320 4.660 4.340 -0.000 0.000 0.268 783 Q C -1.223 174.048 176.000 -1.214 0.000 1.021 783 Q CA -0.580 54.706 55.803 -0.862 0.000 0.802 783 Q CB 0.793 29.252 28.738 -0.465 0.000 1.282 783 Q HN 0.547 nan 8.270 nan 0.000 0.431 784 F N 0.737 120.345 119.950 -0.570 0.000 2.706 784 F HA 0.198 4.725 4.527 -0.000 0.000 0.313 784 F C 0.775 176.190 175.800 -0.641 0.000 1.096 784 F CA -0.123 57.447 58.000 -0.715 0.000 1.219 784 F CB 1.425 39.758 39.000 -1.111 0.000 1.051 784 F HN 0.452 nan 8.300 nan 0.000 0.568 785 T N -0.982 113.313 114.554 -0.432 0.000 2.858 785 T HA 0.764 5.114 4.350 -0.000 0.000 0.285 785 T C -0.586 173.888 174.700 -0.376 0.000 1.052 785 T CA -0.983 60.787 62.100 -0.551 0.000 1.009 785 T CB 2.757 71.255 68.868 -0.617 0.000 1.241 785 T HN 0.227 nan 8.240 nan 0.000 0.542 786 R N -0.411 119.903 120.500 -0.310 0.000 2.774 786 R HA 0.751 5.091 4.340 -0.000 0.000 0.272 786 R C -1.091 175.274 176.300 0.109 0.000 1.000 786 R CA -1.176 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 3.255 126.121 122.820 0.077 0.000 2.444 787 A HA 0.329 4.649 4.320 -0.000 0.000 0.287 787 A C -2.060 175.599 177.584 0.125 0.000 1.195 787 A CA -1.458 50.626 52.037 0.079 0.000 0.858 787 A CB -0.456 18.544 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 -0.276 177.143 177.300 0.198 0.000 1.168 788 P CA 0.586 63.847 63.100 0.267 0.000 0.759 788 P CB 0.294 32.173 31.700 0.297 0.000 0.782 789 L N 2.397 123.708 121.223 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 0.252 42.272 42.059 -0.066 0.000 1.191 789 L HN 0.311 nan 8.230 nan 0.000 0.459 790 D N 0.583 120.955 120.400 -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 1.586 55.522 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 1.184 119.867 118.700 -0.029 0.000 2.149 791 N HA -0.133 4.607 4.740 -0.000 0.000 0.188 791 N C 1.230 176.771 175.510 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 38.137 38.487 -0.035 0.000 0.997 791 N HN 0.285 nan 8.380 nan 0.000 0.426 792 D N 0.308 120.754 120.400 0.077 0.000 2.224 792 D HA 0.006 4.646 4.640 -0.000 0.000 0.205 792 D C 2.001 178.368 176.300 0.112 0.000 0.965 792 D CA 0.380 54.465 54.000 0.141 0.000 0.852 792 D CB 0.023 40.980 40.800 0.262 0.000 0.947 792 D HN 0.333 nan 8.370 nan 0.000 0.494 793 I N 0.471 121.090 120.570 0.082 0.000 2.400 793 I HA -0.006 4.164 4.170 -0.000 0.000 0.248 793 I C 1.108 177.238 176.117 0.022 0.000 1.109 793 I CA 0.451 61.781 61.300 0.050 0.000 1.425 793 I CB -0.275 37.735 38.000 0.017 0.000 1.094 793 I HN -0.018 nan 8.210 nan 0.000 0.425 794 G N 2.830 111.652 108.800 0.037 0.000 2.247 794 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.260 794 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.260 794 G C -0.146 174.790 174.900 0.060 0.000 0.852 794 G CA 0.579 45.718 45.100 0.064 0.000 1.281 794 G HN 0.442 nan 8.290 nan 0.000 0.378 795 V N -1.047 118.899 119.914 0.053 0.000 2.841 795 V HA 0.903 5.023 4.120 -0.000 0.000 0.310 795 V C 0.629 176.613 176.094 -0.183 0.000 1.090 795 V CA 0.194 62.463 62.300 -0.051 0.000 0.930 795 V CB 1.743 33.508 31.823 -0.096 0.000 1.014 795 V HN 1.098 nan 8.190 nan 0.000 0.425 796 S N 1.367 116.777 115.700 -0.484 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 -1.153 0.000 1.031 796 S CA -0.116 57.302 58.200 -1.303 0.000 0.911 796 S CB -0.079 62.253 63.200 -1.445 0.000 0.812 796 S HN 0.858 nan 8.310 nan 0.000 0.497 797 E N 0.785 120.612 120.200 -0.622 0.000 2.241 797 E HA 0.586 4.936 4.350 -0.000 0.000 0.263 797 E C 0.356 176.790 176.600 -0.277 0.000 0.882 797 E CA -0.285 55.852 56.400 -0.439 0.000 0.769 797 E CB 1.860 31.331 29.700 -0.381 0.000 1.185 797 E HN 0.221 nan 8.360 nan 0.000 0.415 798 A N 2.820 125.515 122.820 -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 2.612 54.581 52.037 -0.114 0.000 0.649 798 A CB -0.800 18.162 19.000 -0.063 0.000 0.818 798 A HN 0.653 nan 8.150 nan 0.000 0.458 799 T N -0.163 114.320 114.554 -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 1.271 63.311 62.100 -0.100 0.000 1.146 799 T CB -0.192 68.603 68.868 -0.122 0.000 0.865 799 T HN 0.593 nan 8.240 nan 0.000 0.435 800 R N 1.955 122.379 120.500 -0.127 0.000 2.207 800 R HA 0.527 4.867 4.340 -0.000 0.000 0.334 800 R C -0.663 175.575 176.300 -0.102 0.000 1.013 800 R CA -0.599 55.431 56.100 -0.115 0.000 0.858 800 R CB 0.511 30.727 30.300 -0.139 0.000 1.094 800 R HN 0.374 nan 8.270 nan 0.000 0.457 801 I N -1.284 119.241 120.570 -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 1.463 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 7.687 128.048 120.400 -0.065 0.000 2.427 802 D HA 0.431 5.071 4.640 -0.000 0.000 0.226 802 D C -1.820 174.422 176.300 -0.098 0.000 1.076 802 D CA -2.413 51.541 54.000 -0.078 0.000 0.849 802 D CB 1.713 42.468 40.800 -0.075 0.000 1.052 802 D HN 0.374 nan 8.370 nan 0.000 0.515 803 P HA -0.103 nan 4.420 nan 0.000 0.223 803 P C 0.568 177.768 177.300 -0.166 0.000 1.144 803 P CA 0.733 63.769 63.100 -0.107 0.000 0.783 803 P CB 0.410 32.057 31.700 -0.089 0.000 0.771 804 N N -0.510 118.076 118.700 -0.191 0.000 2.353 804 N HA 0.086 4.826 4.740 -0.000 0.000 0.185 804 N C 0.755 176.028 175.510 -0.395 0.000 1.098 804 N CA 0.087 52.965 53.050 -0.288 0.000 0.872 804 N CB -0.055 38.285 38.487 -0.246 0.000 0.970 804 N HN 0.098 nan 8.380 nan 0.000 0.467 805 A N 0.072 122.723 122.820 -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 2.254 178.173 176.519 -1.001 0.000 1.241 806 W CA 1.928 58.690 57.345 -0.972 0.000 1.264 806 W CB -0.459 28.298 29.460 -1.171 0.000 1.154 806 W HN 0.551 nan 8.180 nan 0.000 0.483 807 V N 0.624 120.424 119.914 -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 2.209 64.623 62.300 0.189 0.000 1.038 807 V CB -0.466 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 0.186 120.368 120.200 -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 1.440 57.818 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 -0.444 119.939 120.500 -0.195 0.000 2.075 809 R HA -0.125 4.215 4.340 -0.000 0.000 0.232 809 R C 2.315 178.561 176.300 -0.090 0.000 1.126 809 R CA 1.115 57.084 56.100 -0.217 0.000 0.963 809 R CB -0.435 29.611 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 -0.033 4.627 4.660 -0.000 0.000 0.303 810 W C 2.062 178.547 176.519 -0.057 0.000 1.208 810 W CA 0.388 57.596 57.345 -0.228 0.000 1.274 810 W CB -0.577 28.867 29.460 -0.026 0.000 1.138 810 W HN 0.120 nan 8.180 nan 0.000 0.515 811 K N -0.003 120.628 120.400 0.383 0.000 1.985 811 K HA -0.118 4.202 4.320 -0.000 0.000 0.210 811 K C 2.200 178.887 176.600 0.144 0.000 1.047 811 K CA 1.737 58.217 56.287 0.322 0.000 0.932 811 K CB -0.649 31.983 32.500 0.220 0.000 0.716 811 K HN -0.025 nan 8.250 nan 0.000 0.439 812 A N 1.199 124.068 122.820 0.082 0.000 2.024 812 A HA -0.139 4.180 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 1.930 53.992 52.037 0.043 0.000 0.643 812 A CB -0.492 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 -2.128 120.686 122.820 -0.011 0.000 2.123 813 A HA 0.395 4.715 4.320 -0.000 0.000 0.214 813 A C 1.891 179.408 177.584 -0.112 0.000 1.152 813 A CA 1.305 53.336 52.037 -0.011 0.000 0.728 813 A CB -0.717 18.260 19.000 -0.039 0.000 0.814 813 A HN 1.888 nan 8.150 nan 0.000 0.464 814 G N -1.821 106.857 108.800 -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 -1.302 117.721 119.070 -0.078 0.000 2.387 815 H HA -0.112 4.444 4.556 -0.000 0.000 0.299 815 H C 2.176 177.457 175.328 -0.079 0.000 1.099 815 H CA 1.649 57.652 56.048 -0.074 0.000 1.315 815 H CB 0.091 29.733 29.762 -0.201 0.000 1.380 815 H HN 0.615 nan 8.280 nan 0.000 0.513 816 Y N 0.737 121.154 120.300 0.196 0.000 2.509 816 Y HA -0.102 4.448 4.550 -0.000 0.000 0.293 816 Y C 1.798 177.777 175.900 0.133 0.000 1.133 816 Y CA 0.666 58.846 58.100 0.133 0.000 1.283 816 Y CB 0.414 38.942 38.460 0.113 0.000 1.001 816 Y HN 0.358 nan 8.280 nan 0.000 0.555 817 Q N -0.651 119.308 119.800 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 55.581 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 0.376 4.696 4.320 -0.000 0.000 0.257 818 A C -0.094 177.753 177.584 0.439 0.000 1.087 818 A CA -0.217 52.050 52.037 0.382 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 0.700 121.097 120.200 0.328 0.000 2.156 819 E HA 0.473 4.823 4.350 -0.000 0.000 0.279 819 E C -0.094 176.487 176.600 -0.033 0.000 0.965 819 E CA -0.232 56.276 56.400 0.180 0.000 0.789 819 E CB 1.770 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 -0.256 177.154 177.584 -0.291 0.000 1.089 820 A CA -0.121 51.461 52.037 -0.758 0.000 0.794 820 A CB 0.572 19.065 19.000 -0.846 0.000 1.029 820 A HN 0.561 nan 8.150 nan 0.000 0.488 821 A N 1.887 124.539 122.820 -0.280 0.000 2.375 821 A HA 0.559 4.879 4.320 -0.000 0.000 0.295 821 A C -0.788 176.709 177.584 -0.146 0.000 1.066 821 A CA -0.551 51.410 52.037 -0.128 0.000 0.722 821 A CB 0.756 19.708 19.000 -0.080 0.000 1.206 821 A HN 1.170 nan 8.150 nan 0.000 0.435 822 L N 3.375 124.494 121.223 -0.174 0.000 2.418 822 L HA 0.285 4.625 4.340 -0.000 0.000 0.274 822 L C 0.568 177.302 176.870 -0.227 0.000 1.135 822 L CA 0.027 54.658 54.840 -0.348 0.000 0.870 822 L CB 0.093 41.962 42.059 -0.317 0.000 1.154 822 L HN 0.804 nan 8.230 nan 0.000 0.462 823 L N 3.653 124.733 121.223 -0.237 0.000 2.357 823 L HA 0.225 4.565 4.340 -0.000 0.000 0.211 823 L C 0.472 177.274 176.870 -0.112 0.000 1.075 823 L CA 0.185 54.953 54.840 -0.120 0.000 0.830 823 L CB 0.084 42.107 42.059 -0.061 0.000 0.996 823 L HN 0.800 nan 8.230 nan 0.000 0.467 824 Q N -0.654 119.046 119.800 -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 -0.762 54.979 55.803 -0.104 0.000 0.887 824 Q CB 2.280 30.989 28.738 -0.049 0.000 1.516 824 Q HN 0.016 nan 8.270 nan 0.000 0.395 825 C N 2.769 122.044 119.300 -0.041 0.000 2.705 825 C HA 0.893 5.353 4.460 -0.000 0.000 0.369 825 C C -1.097 173.957 174.990 0.107 0.000 1.069 825 C CA 0.758 59.790 59.018 0.023 0.000 1.260 825 C CB 0.846 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 2.791 117.374 114.554 0.048 0.000 2.883 826 T HA 0.891 5.241 4.350 -0.000 0.000 0.301 826 T C -0.593 173.953 174.700 -0.256 0.000 1.158 826 T CA -0.062 62.023 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 1.660 124.205 122.820 -0.458 0.000 2.401 827 A HA 0.841 5.161 4.320 -0.000 0.000 0.310 827 A C -1.237 176.126 177.584 -0.369 0.000 1.075 827 A CA -0.645 51.012 52.037 -0.633 0.000 0.746 827 A CB 1.451 19.655 19.000 -1.327 0.000 1.277 827 A HN 0.894 nan 8.150 nan 0.000 0.425 828 D N 0.290 120.519 120.400 -0.285 0.000 2.736 828 D HA 0.452 5.091 4.640 -0.000 0.000 0.223 828 D C -1.311 174.903 176.300 -0.143 0.000 1.231 828 D CA -0.011 53.884 54.000 -0.174 0.000 0.818 828 D CB 2.437 43.164 40.800 -0.121 0.000 1.587 828 D HN 0.448 nan 8.370 nan 0.000 0.463 829 T N 1.511 116.006 114.554 -0.098 0.000 2.758 829 T HA 0.513 4.863 4.350 -0.000 0.000 0.285 829 T C 0.121 174.792 174.700 -0.049 0.000 0.981 829 T CA -0.584 61.475 62.100 -0.069 0.000 0.965 829 T CB 1.093 69.936 68.868 -0.043 0.000 0.927 829 T HN 0.057 nan 8.240 nan 0.000 0.448 830 L N 1.673 122.868 121.223 -0.047 0.000 2.376 830 L HA 0.680 5.020 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 0.111 42.148 42.059 -0.036 0.000 1.290 830 L HN 0.721 nan 8.230 nan 0.000 0.462 831 A N -0.175 122.634 122.820 -0.018 0.000 1.933 831 A HA -0.147 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 2.033 54.062 52.037 -0.012 0.000 0.628 831 A CB -0.707 18.287 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 0.237 176.521 176.300 -0.026 0.000 1.159 832 D CA 0.660 54.649 54.000 -0.019 0.000 0.828 832 D CB 0.500 41.289 40.800 -0.018 0.000 1.039 832 D HN 0.512 nan 8.370 nan 0.000 0.512 833 A N -0.411 122.389 122.820 -0.033 0.000 2.511 833 A HA 0.619 4.939 4.320 -0.000 0.000 0.293 833 A C -1.749 175.795 177.584 -0.066 0.000 1.098 833 A CA -0.787 51.219 52.037 -0.051 0.000 0.643 833 A CB 0.764 19.731 19.000 -0.054 0.000 1.302 833 A HN -0.015 nan 8.150 nan 0.000 0.446 834 V N 0.309 120.165 119.914 -0.097 0.000 2.547 834 V HA 0.690 4.810 4.120 -0.000 0.000 0.299 834 V C -0.874 175.135 176.094 -0.142 0.000 1.040 834 V CA -0.476 61.748 62.300 -0.127 0.000 0.913 834 V CB 1.358 33.091 31.823 -0.150 0.000 0.992 834 V HN 0.826 nan 8.190 nan 0.000 0.449 835 L N 5.778 126.907 121.223 -0.156 0.000 2.376 835 L HA 0.656 4.996 4.340 -0.000 0.000 0.275 835 L C -0.914 175.836 176.870 -0.200 0.000 0.987 835 L CA -0.069 54.688 54.840 -0.139 0.000 0.828 835 L CB 1.415 43.417 42.059 -0.096 0.000 1.249 835 L HN 0.405 nan 8.230 nan 0.000 0.409 836 I N 3.685 124.147 120.570 -0.179 0.000 2.441 836 I HA 0.530 4.700 4.170 -0.000 0.000 0.295 836 I C -0.046 176.060 176.117 -0.019 0.000 0.994 836 I CA -0.381 60.774 61.300 -0.242 0.000 1.144 836 I CB 1.723 39.365 38.000 -0.596 0.000 1.314 836 I HN 0.525 nan 8.210 nan 0.000 0.445 837 T N 4.522 119.051 114.554 -0.041 0.000 2.879 837 T HA 0.630 4.980 4.350 -0.000 0.000 0.290 837 T C -0.001 174.739 174.700 0.067 0.000 0.993 837 T CA -0.533 61.593 62.100 0.042 0.000 0.975 837 T CB 1.755 70.622 68.868 -0.002 0.000 0.981 837 T HN 0.806 nan 8.240 nan 0.000 0.439 838 T N -0.219 114.418 114.554 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 71.118 68.868 0.251 0.000 1.170 838 T HN 0.789 nan 8.240 nan 0.000 0.509 839 A N 1.431 124.241 122.820 -0.016 0.000 2.465 839 A HA 0.713 5.033 4.320 -0.000 0.000 0.292 839 A C -1.492 176.029 177.584 -0.105 0.000 1.041 839 A CA -0.790 51.286 52.037 0.065 0.000 0.718 839 A CB 0.724 19.749 19.000 0.042 0.000 1.266 839 A HN 0.985 nan 8.150 nan 0.000 0.403 840 H N 0.259 119.393 119.070 0.107 0.000 2.797 840 H HA 0.850 5.406 4.556 -0.000 0.000 0.372 840 H C 0.028 175.411 175.328 0.091 0.000 1.168 840 H CA 0.156 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 1.335 124.201 122.820 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 -0.721 51.437 52.037 0.203 0.000 0.744 841 A CB 1.208 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 2.222 123.613 121.300 0.151 0.000 2.429 842 W HA 0.420 5.080 4.660 -0.000 0.000 0.314 842 W C -0.316 176.189 176.519 -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 1.856 121.784 119.800 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 0.209 0.000 1.103 843 Q CA -0.971 54.913 55.803 0.134 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 0.798 119.891 119.070 0.039 0.000 3.240 844 H HA 0.051 4.607 4.556 -0.000 0.000 0.329 844 H C -0.968 174.385 175.328 0.042 0.000 1.024 844 H CA 0.029 56.111 56.048 0.056 0.000 1.487 844 H CB 0.961 30.764 29.762 0.068 0.000 1.909 844 H HN 0.864 nan 8.280 nan 0.000 0.465 845 Q N 3.218 122.803 119.800 -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 1.138 56.797 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 -0.192 108.586 108.800 -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 0.068 174.976 174.900 0.014 0.000 0.980 846 G CA 0.674 45.770 45.100 -0.006 0.000 0.632 846 G HN 0.378 nan 8.290 nan 0.000 0.533 847 K N 1.226 121.644 120.400 0.030 0.000 2.156 847 K HA 0.620 4.940 4.320 -0.000 0.000 0.271 847 K C -0.133 176.479 176.600 0.020 0.000 0.995 847 K CA -0.124 56.182 56.287 0.031 0.000 0.890 847 K CB 0.862 33.389 32.500 0.044 0.000 1.073 847 K HN 0.011 nan 8.250 nan 0.000 0.454 848 T N 5.735 120.290 114.554 0.002 0.000 2.728 848 T HA 0.231 4.581 4.350 -0.000 0.000 0.296 848 T C 1.095 175.729 174.700 -0.110 0.000 0.940 848 T CA -0.564 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 1.997 123.038 121.223 -0.304 0.000 2.168 849 L HA 0.354 4.694 4.340 -0.000 0.000 0.203 849 L C -0.070 176.312 176.870 -0.814 0.000 1.078 849 L CA 0.863 55.252 54.840 -0.752 0.000 0.780 849 L CB -0.037 41.103 42.059 -1.531 0.000 0.939 849 L HN 0.527 nan 8.230 nan 0.000 0.451 850 F N -1.084 118.817 119.950 -0.082 0.000 2.626 850 F HA 0.593 5.120 4.527 -0.000 0.000 0.311 850 F C -0.518 175.378 175.800 0.159 0.000 1.088 850 F CA -0.865 57.053 58.000 -0.137 0.000 0.949 850 F CB 1.980 40.564 39.000 -0.694 0.000 1.322 850 F HN -0.326 nan 8.300 nan 0.000 0.461 851 I N 1.423 122.229 120.570 0.394 0.000 2.466 851 I HA 0.405 4.575 4.170 -0.000 0.000 0.289 851 I C -0.887 175.494 176.117 0.440 0.000 1.026 851 I CA -0.573 60.979 61.300 0.421 0.000 1.078 851 I CB 2.227 40.390 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 -0.769 174.083 174.600 0.421 0.000 1.099 852 S CA -0.671 57.848 58.200 0.532 0.000 1.070 852 S CB 0.791 64.422 63.200 0.719 0.000 0.998 852 S HN 0.583 nan 8.310 nan 0.000 0.474 853 R N 3.434 124.103 120.500 0.282 0.000 2.480 853 R HA 0.556 4.896 4.340 -0.000 0.000 0.306 853 R C -0.756 175.622 176.300 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 32.325 30.300 0.157 0.000 1.171 853 R HN 0.550 nan 8.270 nan 0.000 0.445 854 K N 0.671 121.144 120.400 0.122 0.000 2.433 854 K HA 0.558 4.878 4.320 -0.000 0.000 0.252 854 K C -0.728 175.857 176.600 -0.024 0.000 1.015 854 K CA -0.971 55.307 56.287 -0.016 0.000 0.860 854 K CB 2.445 34.889 32.500 -0.095 0.000 1.359 854 K HN 0.623 nan 8.250 nan 0.000 0.452 855 T N -1.415 113.036 114.554 -0.172 0.000 2.952 855 T HA 0.534 4.884 4.350 -0.000 0.000 0.305 855 T C -1.455 173.119 174.700 -0.210 0.000 1.064 855 T CA -0.786 61.264 62.100 -0.082 0.000 1.008 855 T CB 0.430 69.281 68.868 -0.028 0.000 1.078 855 T HN 0.408 nan 8.240 nan 0.000 0.459 856 Y N 1.246 121.527 120.300 -0.032 0.000 2.350 856 Y HA 0.704 5.254 4.550 -0.000 0.000 0.338 856 Y C 0.391 176.238 175.900 -0.088 0.000 0.961 856 Y CA -1.101 56.988 58.100 -0.019 0.000 1.100 856 Y CB 2.016 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 4.906 125.453 120.500 0.079 0.000 2.483 857 R HA 0.633 4.973 4.340 -0.000 0.000 0.303 857 R C -2.000 174.261 176.300 -0.065 0.000 0.987 857 R CA -0.382 55.710 56.100 -0.013 0.000 0.881 857 R CB 0.834 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 4.590 125.067 120.570 -0.154 0.000 2.362 858 I HA 0.267 4.437 4.170 -0.000 0.000 0.289 858 I C -0.382 175.635 176.117 -0.167 0.000 0.994 858 I CA -0.945 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 4.029 124.361 120.400 -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 -1.219 107.570 108.800 -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 1.172 176.076 174.900 0.008 0.000 1.119 860 G CA 1.079 46.177 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 0.371 4.841 4.470 -0.000 0.000 0.217 861 S C 1.699 176.339 174.600 0.066 0.000 0.966 861 S CA 0.891 59.105 58.200 0.024 0.000 0.914 861 S CB -0.008 63.202 63.200 0.016 0.000 0.776 861 S HN 1.471 nan 8.310 nan 0.000 0.523 862 G N 0.855 109.707 108.800 0.087 0.000 2.160 862 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.244 862 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.244 862 G C -0.356 174.646 174.900 0.171 0.000 1.022 862 G CA -0.004 45.212 45.100 0.192 0.000 0.741 862 G HN 0.623 nan 8.290 nan 0.000 0.508 863 Q N -0.786 119.057 119.800 0.072 0.000 2.274 863 Q HA 0.683 5.023 4.340 -0.000 0.000 0.260 863 Q C 0.059 176.071 176.000 0.020 0.000 0.974 863 Q CA -0.607 55.245 55.803 0.082 0.000 0.876 863 Q CB 1.996 30.783 28.738 0.081 0.000 1.297 863 Q HN 0.391 nan 8.270 nan 0.000 0.446 864 M N 2.015 121.663 119.600 0.081 0.000 2.114 864 M HA 0.566 5.046 4.480 -0.000 0.000 0.332 864 M C -1.514 174.886 176.300 0.167 0.000 1.014 864 M CA -0.513 54.825 55.300 0.064 0.000 0.956 864 M CB 1.107 33.740 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 -0.892 176.732 177.584 0.066 0.000 1.217 865 A CA -0.695 51.406 52.037 0.106 0.000 0.840 865 A CB 0.551 19.593 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 -0.178 175.835 176.117 -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 5.031 119.428 114.554 -0.262 0.000 2.841 867 T HA 0.550 4.899 4.350 -0.000 0.000 0.285 867 T C -0.612 173.883 174.700 -0.341 0.000 0.991 867 T CA -0.383 61.564 62.100 -0.256 0.000 0.966 867 T CB 1.863 70.673 68.868 -0.096 0.000 0.962 867 T HN 0.251 nan 8.240 nan 0.000 0.438 868 V N 3.966 123.550 119.914 -0.550 0.000 2.540 868 V HA 0.593 4.713 4.120 -0.000 0.000 0.302 868 V C -0.782 175.142 176.094 -0.283 0.000 1.035 868 V CA -0.914 61.088 62.300 -0.497 0.000 0.873 868 V CB 2.114 33.383 31.823 -0.923 0.000 0.992 868 V HN 0.833 nan 8.190 nan 0.000 0.428 869 D N 3.060 123.462 120.400 0.004 0.000 2.686 869 D HA 0.512 5.152 4.640 -0.000 0.000 0.249 869 D C -1.123 175.307 176.300 0.216 0.000 1.260 869 D CA -0.119 53.985 54.000 0.174 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 1.889 121.968 119.914 0.275 0.000 2.628 870 V HA 0.368 4.488 4.120 -0.000 0.000 0.306 870 V C 0.047 176.290 176.094 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 1.927 122.260 120.200 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 2.287 122.324 119.914 0.204 0.000 2.487 872 V HA 0.455 4.575 4.120 -0.000 0.000 0.298 872 V C -0.061 176.133 176.094 0.167 0.000 1.028 872 V CA -1.009 61.435 62.300 0.241 0.000 0.860 872 V CB 1.602 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 3.221 126.110 122.820 0.114 0.000 2.548 873 A HA 0.295 4.615 4.320 -0.000 0.000 0.247 873 A C 1.675 179.337 177.584 0.129 0.000 1.067 873 A CA 0.638 52.725 52.037 0.083 0.000 0.757 873 A CB 0.250 19.266 19.000 0.026 0.000 0.996 873 A HN 1.397 nan 8.150 nan 0.000 0.504 874 S N 1.622 117.391 115.700 0.114 0.000 2.400 874 S HA -0.189 4.281 4.470 -0.000 0.000 0.232 874 S C 0.984 175.670 174.600 0.142 0.000 1.025 874 S CA 1.597 59.878 58.200 0.135 0.000 0.993 874 S CB -0.342 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 0.280 120.741 120.400 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 0.018 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 0.752 115.386 114.554 0.133 0.000 2.943 876 T HA 0.449 4.799 4.350 -0.000 0.000 0.284 876 T C -2.673 172.160 174.700 0.223 0.000 1.015 876 T CA -2.026 60.180 62.100 0.176 0.000 1.042 876 T CB 1.394 70.381 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 -0.640 176.971 177.300 0.518 0.000 1.216 877 P CA -0.235 62.974 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 2.940 122.354 119.070 0.574 0.000 2.964 878 H HA 0.091 4.647 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 -1.733 54.602 56.048 0.478 0.000 1.445 878 H CB -0.952 29.026 29.762 0.360 0.000 1.449 878 H HN 0.311 nan 8.280 nan 0.000 0.581 879 P HA 0.089 nan 4.420 nan 0.000 0.274 879 P C 0.388 177.610 177.300 -0.130 0.000 1.231 879 P CA -0.335 62.836 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 3.087 125.597 122.820 -0.517 0.000 1.969 880 A HA -0.087 4.233 4.320 -0.000 0.000 0.218 880 A C 1.069 178.282 177.584 -0.618 0.000 1.169 880 A CA 1.470 53.152 52.037 -0.592 0.000 0.635 880 A CB -0.559 17.896 19.000 -0.908 0.000 0.810 880 A HN 0.765 nan 8.150 nan 0.000 0.445 881 R N -2.940 117.234 120.500 -0.543 0.000 2.741 881 R HA 0.704 5.044 4.340 -0.000 0.000 0.274 881 R C -1.887 174.175 176.300 -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 1.058 121.427 120.570 -0.334 0.000 2.540 882 I HA 0.639 4.809 4.170 -0.000 0.000 0.280 882 I C -0.475 175.414 176.117 -0.380 0.000 1.083 882 I CA -0.427 60.684 61.300 -0.315 0.000 1.080 882 I CB 1.790 39.678 38.000 -0.186 0.000 1.205 882 I HN 1.008 nan 8.210 nan 0.000 0.459 883 G N 5.769 114.302 108.800 -0.445 0.000 2.578 883 G HA2 0.733 4.693 3.960 -0.000 0.000 0.302 883 G HA3 0.733 4.693 3.960 -0.000 0.000 0.302 883 G C -1.764 172.963 174.900 -0.288 0.000 1.243 883 G CA -0.535 44.355 45.100 -0.351 0.000 0.843 883 G HN 0.294 nan 8.290 nan 0.000 0.486 884 L N 0.548 121.651 121.223 -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 44.631 42.059 -0.053 0.000 1.403 884 L HN 0.868 nan 8.230 nan 0.000 0.419 885 N N 0.098 118.726 118.700 -0.120 0.000 2.823 885 N HA 0.671 5.411 4.740 -0.000 0.000 0.251 885 N C -1.342 174.181 175.510 0.022 0.000 1.392 885 N CA -0.535 52.480 53.050 -0.058 0.000 0.864 885 N CB 2.157 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 -1.635 117.720 119.300 0.092 0.000 3.253 886 C HA 0.578 5.038 4.460 -0.000 0.000 0.342 886 C C -1.378 173.538 174.990 -0.123 0.000 1.306 886 C CA -0.833 58.213 59.018 0.047 0.000 1.207 886 C CB 0.939 28.686 27.740 0.013 0.000 1.479 886 C HN 0.882 nan 8.230 nan 0.000 0.469 887 Q N 1.309 120.820 119.800 -0.482 0.000 2.347 887 Q HA 0.684 5.024 4.340 -0.000 0.000 0.262 887 Q C -1.045 174.677 176.000 -0.463 0.000 0.980 887 Q CA -0.442 54.805 55.803 -0.928 0.000 0.867 887 Q CB 0.899 28.709 28.738 -1.547 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 1.184 177.960 176.870 -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 0.807 nan 8.230 nan 0.000 0.447 889 A N 2.119 124.872 122.820 -0.111 0.000 1.930 889 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 889 A C 1.164 178.712 177.584 -0.059 0.000 1.175 889 A CA 0.878 52.851 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 -0.526 119.269 119.800 -0.008 0.000 2.368 890 Q HA 0.463 4.803 4.340 -0.000 0.000 0.237 890 Q C -1.141 174.877 176.000 0.030 0.000 0.987 890 Q CA 0.097 55.898 55.803 -0.004 0.000 0.896 890 Q CB 0.966 29.711 28.738 0.013 0.000 1.241 890 Q HN 0.151 nan 8.270 nan 0.000 0.485 891 V N 2.318 122.216 119.914 -0.027 0.000 2.612 891 V HA 0.790 4.910 4.120 -0.000 0.000 0.301 891 V C -0.832 175.211 176.094 -0.085 0.000 1.059 891 V CA -0.143 62.172 62.300 0.026 0.000 0.886 891 V CB 1.152 32.987 31.823 0.021 0.000 1.007 891 V HN 0.951 nan 8.190 nan 0.000 0.426 892 A N 3.238 125.972 122.820 -0.144 0.000 2.389 892 A HA 0.886 5.206 4.320 -0.000 0.000 0.293 892 A C 0.527 178.144 177.584 0.055 0.000 1.186 892 A CA -0.338 51.588 52.037 -0.185 0.000 0.828 892 A CB 1.643 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 -0.234 119.989 120.200 0.038 0.000 2.060 893 E HA 0.071 4.421 4.350 -0.000 0.000 0.189 893 E C 0.615 177.300 176.600 0.142 0.000 0.974 893 E CA 0.990 57.440 56.400 0.083 0.000 0.808 893 E CB 0.142 29.869 29.700 0.045 0.000 0.768 893 E HN 0.538 nan 8.360 nan 0.000 0.453 894 R N -0.532 120.060 120.500 0.154 0.000 2.856 894 R HA 0.610 4.950 4.340 -0.000 0.000 0.258 894 R C -1.042 175.446 176.300 0.312 0.000 1.066 894 R CA -0.900 55.319 56.100 0.198 0.000 1.045 894 R CB 2.070 32.456 30.300 0.142 0.000 1.178 894 R HN -0.141 nan 8.270 nan 0.000 0.499 895 V N 1.445 121.549 119.914 0.317 0.000 2.623 895 V HA 0.324 4.444 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 1.920 33.927 31.823 0.307 0.000 1.002 895 V HN 0.741 nan 8.190 nan 0.000 0.424 896 N N 3.967 122.924 118.700 0.428 0.000 2.295 896 N HA 0.571 5.311 4.740 -0.000 0.000 0.293 896 N C -1.454 174.334 175.510 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 3.009 124.371 121.300 0.104 0.000 3.074 897 W HA 0.611 5.271 4.660 -0.000 0.000 0.332 897 W C -2.167 174.362 176.519 0.016 0.000 1.253 897 W CA -1.066 56.326 57.345 0.079 0.000 1.180 897 W CB 0.726 30.266 29.460 0.134 0.000 1.445 897 W HN 0.247 nan 8.180 nan 0.000 0.573 898 L N 3.766 125.014 121.223 0.043 0.000 2.324 898 L HA 0.910 5.250 4.340 -0.000 0.000 0.274 898 L C -0.050 176.795 176.870 -0.040 0.000 1.012 898 L CA 0.375 55.076 54.840 -0.233 0.000 0.859 898 L CB 0.774 42.744 42.059 -0.149 0.000 1.224 898 L HN 1.026 nan 8.230 nan 0.000 0.429 899 G N 3.662 112.357 108.800 -0.175 0.000 2.393 899 G HA2 0.220 4.180 3.960 -0.000 0.000 0.264 899 G HA3 0.220 4.180 3.960 -0.000 0.000 0.264 899 G C -1.633 173.431 174.900 0.274 0.000 1.221 899 G CA -0.995 44.219 45.100 0.190 0.000 0.912 899 G HN 0.376 nan 8.290 nan 0.000 0.483 900 L N 1.265 122.721 121.223 0.389 0.000 2.331 900 L HA 0.624 4.964 4.340 -0.000 0.000 0.278 900 L C 0.965 177.888 176.870 0.089 0.000 1.106 900 L CA 0.451 55.434 54.840 0.238 0.000 0.824 900 L CB 0.671 42.798 42.059 0.114 0.000 1.142 900 L HN 1.038 nan 8.230 nan 0.000 0.443 901 G N 3.154 111.730 108.800 -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 -0.361 0.000 1.233 902 P CA 0.310 62.791 63.100 -1.033 0.000 0.827 902 P CB 0.782 32.043 31.700 -0.731 0.000 1.154 903 Q N 0.622 120.221 119.800 -0.335 0.000 2.318 903 Q HA 0.142 4.482 4.340 -0.000 0.000 0.222 903 Q C 0.381 176.258 176.000 -0.206 0.000 1.003 903 Q CA -0.551 55.130 55.803 -0.204 0.000 0.936 903 Q CB 0.694 29.342 28.738 -0.151 0.000 1.204 903 Q HN 0.109 nan 8.270 nan 0.000 0.524 904 E N 1.322 121.415 120.200 -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 0.292 56.581 56.400 -0.185 0.000 0.945 904 E CB 0.210 29.873 29.700 -0.063 0.000 0.916 904 E HN 0.568 nan 8.360 nan 0.000 0.477 905 N N 2.806 121.346 118.700 -0.266 0.000 2.308 905 N HA 0.318 5.058 4.740 -0.000 0.000 0.283 905 N C -1.881 173.389 175.510 -0.400 0.000 1.105 905 N CA -0.686 52.258 53.050 -0.178 0.000 0.840 905 N CB 0.723 39.120 38.487 -0.150 0.000 1.633 905 N HN 0.237 nan 8.380 nan 0.000 0.476 906 Y N 0.077 120.285 120.300 -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 -2.076 55.923 58.100 -0.168 0.000 1.100 906 Y CB 1.721 40.077 38.460 -0.174 0.000 1.281 906 Y HN 0.435 nan 8.280 nan 0.000 0.488 907 P HA -0.188 nan 4.420 nan 0.000 0.216 907 P C 0.415 177.665 177.300 -0.083 0.000 1.154 907 P CA 2.154 65.297 63.100 0.072 0.000 0.865 907 P CB 0.189 32.012 31.700 0.206 0.000 0.789 908 D N -2.151 118.015 120.400 -0.391 0.000 2.358 908 D HA 0.015 4.655 4.640 -0.000 0.000 0.224 908 D C 0.569 176.735 176.300 -0.223 0.000 1.123 908 D CA -0.015 53.551 54.000 -0.724 0.000 0.833 908 D CB -0.228 39.774 40.800 -1.331 0.000 0.946 908 D HN 0.128 nan 8.370 nan 0.000 0.505 909 R N 1.009 121.473 120.500 -0.059 0.000 2.837 909 R HA 0.209 4.549 4.340 -0.000 0.000 0.245 909 R C -0.807 175.526 176.300 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 -1.048 120.217 121.223 0.070 0.000 3.635 910 L HA 0.303 4.643 4.340 -0.000 0.000 0.338 910 L C 1.175 178.105 176.870 0.101 0.000 1.275 910 L CA 0.059 54.937 54.840 0.063 0.000 1.092 910 L CB 0.184 42.263 42.059 0.034 0.000 1.465 910 L HN 0.141 nan 8.230 nan 0.000 0.625 911 T N -2.578 112.064 114.554 0.146 0.000 2.915 911 T HA 0.059 4.409 4.350 -0.000 0.000 0.269 911 T C 1.698 176.493 174.700 0.157 0.000 1.071 911 T CA 1.275 63.490 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 1.284 124.199 122.820 0.159 0.000 2.119 912 A HA 0.681 5.001 4.320 -0.000 0.000 0.216 912 A C 1.659 179.339 177.584 0.160 0.000 1.152 912 A CA 0.498 52.590 52.037 0.091 0.000 0.708 912 A CB -0.880 18.288 19.000 0.280 0.000 0.805 912 A HN 0.821 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 4.949 4.640 -0.000 0.000 0.345 916 D C -1.540 173.834 176.300 -1.543 0.000 1.391 916 D CA -0.753 52.465 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 -1.441 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 -1.385 0.000 0.986 917 R CA -0.432 54.975 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 2.625 123.362 121.300 -0.939 0.000 2.689 918 W HA 0.425 5.085 4.660 -0.000 0.000 0.340 918 W C -0.515 175.619 176.519 -0.642 0.000 1.060 918 W CA -0.666 56.086 57.345 -0.990 0.000 1.218 918 W CB 1.546 29.928 29.460 -1.796 0.000 1.410 918 W HN 0.313 nan 8.180 nan 0.000 0.528 919 D N 2.617 122.966 120.400 -0.086 0.000 2.736 919 D HA 0.522 5.162 4.640 -0.000 0.000 0.243 919 D C -1.285 175.112 176.300 0.160 0.000 1.304 919 D CA -0.130 53.918 54.000 0.080 0.000 0.934 919 D CB 1.219 42.032 40.800 0.021 0.000 1.382 919 D HN 0.401 nan 8.370 nan 0.000 0.571 920 L N 2.529 123.916 121.223 0.272 0.000 2.397 920 L HA 0.570 4.910 4.340 -0.000 0.000 0.251 920 L C -2.522 174.472 176.870 0.206 0.000 1.064 920 L CA -2.175 52.802 54.840 0.227 0.000 0.859 920 L CB 2.682 44.908 42.059 0.277 0.000 1.468 920 L HN 0.149 nan 8.230 nan 0.000 0.411 921 P HA 0.143 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 32.966 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 2.826 57.741 54.840 0.126 0.000 0.766 922 L CB -1.518 40.629 42.059 0.146 0.000 0.890 922 L HN 0.455 nan 8.230 nan 0.000 0.435 923 S N -1.526 114.232 115.700 0.097 0.000 2.374 923 S HA -0.224 4.246 4.470 -0.000 0.000 0.227 923 S C 1.652 176.329 174.600 0.127 0.000 1.037 923 S CA 1.347 59.612 58.200 0.110 0.000 1.024 923 S CB -0.926 62.328 63.200 0.090 0.000 0.861 923 S HN 0.542 nan 8.310 nan 0.000 0.456 924 D N 1.263 121.719 120.400 0.093 0.000 2.350 924 D HA 0.061 4.701 4.640 -0.000 0.000 0.216 924 D C 1.247 177.569 176.300 0.037 0.000 0.968 924 D CA 0.632 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 -0.378 119.255 119.600 0.055 0.000 2.568 925 M HA 0.064 4.544 4.480 -0.000 0.000 0.226 925 M C -0.112 176.217 176.300 0.049 0.000 1.148 925 M CA 0.028 55.322 55.300 -0.010 0.000 1.007 925 M CB -0.982 31.603 32.600 -0.024 0.000 1.651 925 M HN -0.023 nan 8.290 nan 0.000 0.488 926 Y N -0.440 119.826 120.300 -0.056 0.000 2.425 926 Y HA 0.476 5.026 4.550 -0.000 0.000 0.344 926 Y C -0.855 174.985 175.900 -0.100 0.000 0.969 926 Y CA -0.849 57.224 58.100 -0.044 0.000 1.052 926 Y CB 1.444 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 8.751 122.800 114.554 -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 -1.375 0.000 1.020 927 T CA -1.512 59.995 62.100 -0.989 0.000 0.948 927 T CB 0.986 69.367 68.868 -0.812 0.000 0.962 927 T HN 0.447 nan 8.240 nan 0.000 0.465 928 P HA 0.082 nan 4.420 nan 0.000 0.238 928 P C -0.584 176.554 177.300 -0.270 0.000 1.714 928 P CA -0.381 62.298 63.100 -0.701 0.000 0.908 928 P CB -0.838 30.600 31.700 -0.437 0.000 1.893 929 Y N -0.400 119.805 120.300 -0.159 0.000 2.717 929 Y HA -0.098 4.452 4.550 -0.000 0.000 0.330 929 Y C 2.279 178.218 175.900 0.066 0.000 1.217 929 Y CA -0.401 57.683 58.100 -0.027 0.000 1.506 929 Y CB 0.458 38.858 38.460 -0.101 0.000 1.268 929 Y HN -0.113 nan 8.280 nan 0.000 0.561 930 V N 4.044 124.164 119.914 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 64.092 62.300 0.306 0.000 1.038 930 V CB -0.534 31.504 31.823 0.359 0.000 0.646 930 V HN 0.608 nan 8.190 nan 0.000 0.447 931 F N 3.481 123.483 119.950 0.087 0.000 2.391 931 F HA 0.496 5.023 4.527 -0.000 0.000 0.359 931 F C -2.327 173.491 175.800 0.029 0.000 1.122 931 F CA -3.150 54.854 58.000 0.007 0.000 1.120 931 F CB 0.944 39.854 39.000 -0.151 0.000 1.142 931 F HN 0.001 nan 8.300 nan 0.000 0.483 932 P HA 0.349 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 -0.321 0.000 0.794 932 P CB 1.695 33.226 31.700 -0.281 0.000 0.955 933 S N -0.229 115.419 115.700 -0.085 0.000 2.683 933 S HA 0.379 4.849 4.470 -0.000 0.000 0.269 933 S C -0.837 173.779 174.600 0.028 0.000 1.165 933 S CA -0.913 57.277 58.200 -0.018 0.000 0.840 933 S CB 0.229 63.459 63.200 0.050 0.000 1.169 933 S HN 0.357 nan 8.310 nan 0.000 0.490 934 E N 1.303 121.524 120.200 0.034 0.000 2.652 934 E HA 0.323 4.673 4.350 -0.000 0.000 0.255 934 E C -0.085 176.572 176.600 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 29.262 29.700 0.092 0.000 0.912 934 E HN 0.788 nan 8.360 nan 0.000 0.489 935 N N 1.588 120.377 118.700 0.148 0.000 3.106 935 N HA 0.523 5.263 4.740 -0.000 0.000 0.253 935 N C 0.386 175.961 175.510 0.108 0.000 1.506 935 N CA -0.659 52.520 53.050 0.215 0.000 0.876 935 N CB 0.590 39.205 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 -0.107 174.559 174.900 -0.389 0.000 0.975 936 G CA 0.560 45.570 45.100 -0.150 0.000 0.644 936 G HN 0.693 nan 8.290 nan 0.000 0.537 937 L N 1.205 122.135 121.223 -0.489 0.000 2.529 937 L HA 0.435 4.775 4.340 -0.000 0.000 0.287 937 L C 0.831 177.138 176.870 -0.940 0.000 1.241 937 L CA 0.528 54.835 54.840 -0.888 0.000 0.857 937 L CB 0.366 41.587 42.059 -1.396 0.000 1.113 937 L HN 0.352 nan 8.230 nan 0.000 0.504 938 R N 3.880 123.735 120.500 -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 30.537 30.300 -0.896 0.000 1.184 938 R HN 0.569 nan 8.270 nan 0.000 0.445 939 C N -0.225 118.856 119.300 -0.365 0.000 2.354 939 C HA 0.687 5.147 4.460 -0.000 0.000 0.381 939 C C 1.314 176.272 174.990 -0.054 0.000 1.240 939 C CA 0.225 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 2.014 110.795 108.800 -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 -0.294 114.181 114.554 -0.131 0.000 2.829 941 T HA 0.543 4.893 4.350 -0.000 0.000 0.282 941 T C 1.430 175.806 174.700 -0.539 0.000 0.990 941 T CA -0.604 61.363 62.100 -0.222 0.000 1.028 941 T CB 1.544 70.251 68.868 -0.267 0.000 0.951 941 T HN 0.343 nan 8.240 nan 0.000 0.460 942 R N 1.156 121.565 120.500 -0.151 0.000 2.316 942 R HA 0.267 4.607 4.340 -0.000 0.000 0.201 942 R C 0.438 176.797 176.300 0.099 0.000 0.888 942 R CA 0.144 56.226 56.100 -0.029 0.000 1.041 942 R CB 0.910 31.314 30.300 0.173 0.000 1.115 942 R HN 0.614 nan 8.270 nan 0.000 0.559 943 E N 1.017 121.292 120.200 0.125 0.000 2.321 943 E HA 0.282 4.632 4.350 -0.000 0.000 0.281 943 E C -2.022 174.746 176.600 0.280 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 4.069 125.512 121.223 0.366 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 54.593 54.840 0.279 0.000 0.822 944 L CB 1.875 43.940 42.059 0.011 0.000 1.285 944 L HN 0.433 nan 8.230 nan 0.000 0.409 945 N N 4.267 123.162 118.700 0.324 0.000 2.399 945 N HA 0.423 5.163 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 -0.207 53.038 53.050 0.325 0.000 0.885 945 N CB 2.024 40.639 38.487 0.214 0.000 1.339 945 N HN 0.619 nan 8.380 nan 0.000 0.487 946 Y N 1.388 121.858 120.300 0.284 0.000 2.323 946 Y HA 0.438 4.988 4.550 -0.000 0.000 0.322 946 Y C 0.563 176.602 175.900 0.233 0.000 1.133 946 Y CA 0.177 58.429 58.100 0.253 0.000 1.093 946 Y CB 0.600 39.240 38.460 0.300 0.000 1.203 946 Y HN 0.825 nan 8.280 nan 0.000 0.427 947 G N 6.337 115.048 108.800 -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 -1.885 172.954 174.900 -0.102 0.000 1.175 947 G CA -0.030 44.961 45.100 -0.181 0.000 0.962 947 G HN 0.547 nan 8.290 nan 0.000 0.560 948 P HA 0.145 nan 4.420 nan 0.000 0.241 948 P C 0.457 177.512 177.300 -0.408 0.000 1.191 948 P CA 0.965 63.886 63.100 -0.299 0.000 0.771 948 P CB -0.056 31.389 31.700 -0.424 0.000 0.929 949 H N -0.274 118.748 119.070 -0.080 0.000 2.505 949 H HA 0.527 5.083 4.556 -0.000 0.000 0.351 949 H C 0.314 175.421 175.328 -0.368 0.000 1.151 949 H CA -0.125 55.760 56.048 -0.272 0.000 1.339 949 H CB 0.831 30.244 29.762 -0.581 0.000 1.483 949 H HN -0.067 nan 8.280 nan 0.000 0.558 950 Q N 2.159 121.705 119.800 -0.423 0.000 2.284 950 Q HA 0.258 4.598 4.340 -0.000 0.000 0.269 950 Q C -1.954 173.804 176.000 -0.403 0.000 1.026 950 Q CA -0.753 54.901 55.803 -0.249 0.000 0.831 950 Q CB 1.755 30.483 28.738 -0.015 0.000 1.322 950 Q HN 0.624 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 0.621 5.281 4.660 -0.000 0.000 0.337 951 W C -0.560 176.058 176.519 0.164 0.000 1.077 951 W CA -0.799 56.519 57.345 -0.045 0.000 1.226 951 W CB 2.204 31.450 29.460 -0.357 0.000 1.419 951 W HN 0.651 nan 8.180 nan 0.000 0.502 952 R N 0.974 121.732 120.500 0.430 0.000 2.725 952 R HA 0.877 5.217 4.340 -0.000 0.000 0.277 952 R C 0.079 176.665 176.300 0.475 0.000 0.987 952 R CA -0.685 55.683 56.100 0.446 0.000 0.901 952 R CB 2.298 32.770 30.300 0.287 0.000 1.207 952 R HN 0.690 nan 8.270 nan 0.000 0.463 953 G N 0.630 109.744 108.800 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 0.486 121.087 120.400 0.335 0.000 2.330 954 D HA 0.586 5.226 4.640 -0.000 0.000 0.249 954 D C -0.892 175.452 176.300 0.074 0.000 1.306 954 D CA -0.263 53.782 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 0.440 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 -1.085 174.682 175.800 -0.055 0.000 1.197 955 F CA -1.012 56.926 58.000 -0.103 0.000 0.954 955 F CB 0.707 39.633 39.000 -0.124 0.000 1.442 955 F HN -0.155 nan 8.300 nan 0.000 0.509 956 Q N 1.353 121.238 119.800 0.142 0.000 2.413 956 Q HA 0.677 5.017 4.340 -0.000 0.000 0.276 956 Q C -1.409 174.679 176.000 0.146 0.000 1.099 956 Q CA -0.543 55.258 55.803 -0.004 0.000 0.814 956 Q CB 2.916 31.523 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 -1.803 173.789 175.800 -0.347 0.000 1.164 957 F CA -1.007 56.842 58.000 -0.252 0.000 0.924 957 F CB 1.519 40.390 39.000 -0.215 0.000 1.348 957 F HN 0.629 nan 8.300 nan 0.000 0.467 958 N N 1.062 119.632 118.700 -0.217 0.000 2.494 958 N HA 0.723 5.463 4.740 -0.000 0.000 0.270 958 N C -2.164 173.330 175.510 -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 40.813 38.487 -0.283 0.000 1.557 958 N HN 1.156 nan 8.380 nan 0.000 0.487 959 I N 0.245 120.781 120.570 -0.057 0.000 2.685 959 I HA 0.629 4.799 4.170 -0.000 0.000 0.289 959 I C -1.381 174.694 176.117 -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 -0.438 174.106 174.600 -0.094 0.000 1.200 960 S CA -0.949 57.224 58.200 -0.044 0.000 0.900 960 S CB 1.601 64.845 63.200 0.073 0.000 1.235 960 S HN 0.635 nan 8.310 nan 0.000 0.512 961 R N 0.033 120.305 120.500 -0.381 0.000 2.466 961 R HA 0.300 4.640 4.340 -0.000 0.000 0.279 961 R C -1.071 174.882 176.300 -0.579 0.000 0.976 961 R CA 0.166 55.969 56.100 -0.495 0.000 1.081 961 R CB -0.628 29.223 30.300 -0.748 0.000 1.215 961 R HN 0.626 nan 8.270 nan 0.000 0.546 962 Y N 0.159 120.461 120.300 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 -0.082 nan 8.280 nan 0.000 0.450 963 S N 1.605 116.999 115.700 -0.510 0.000 2.593 963 S HA 0.066 4.536 4.470 -0.000 0.000 0.269 963 S C 0.850 175.147 174.600 -0.506 0.000 1.334 963 S CA -0.657 56.901 58.200 -1.070 0.000 1.015 963 S CB 1.145 63.762 63.200 -0.972 0.000 0.912 963 S HN 0.767 nan 8.310 nan 0.000 0.541 964 Q N 0.570 120.068 119.800 -0.503 0.000 2.124 964 Q HA -0.185 4.155 4.340 -0.000 0.000 0.202 964 Q C 2.176 178.057 176.000 -0.198 0.000 0.977 964 Q CA 1.638 57.285 55.803 -0.260 0.000 0.850 964 Q CB -0.439 28.182 28.738 -0.195 0.000 0.901 964 Q HN 0.924 nan 8.270 nan 0.000 0.429 965 Q N 0.715 120.373 119.800 -0.237 0.000 2.084 965 Q HA -0.207 4.132 4.340 -0.000 0.000 0.202 965 Q C 2.062 177.986 176.000 -0.127 0.000 0.978 965 Q CA 1.297 57.013 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 0.112 119.821 119.800 -0.152 0.000 2.030 966 Q HA -0.176 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 1.483 57.213 55.803 -0.121 0.000 0.843 966 Q CB -0.131 28.531 28.738 -0.126 0.000 0.904 966 Q HN 0.459 nan 8.270 nan 0.000 0.420 967 L N 0.084 121.210 121.223 -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 1.339 56.072 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 -0.463 119.058 119.600 -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 -0.766 119.373 120.200 -0.102 0.000 2.447 969 E HA 0.053 4.403 4.350 -0.000 0.000 0.195 969 E C -0.220 176.338 176.600 -0.070 0.000 1.028 969 E CA 0.154 56.513 56.400 -0.069 0.000 0.876 969 E CB 0.470 30.143 29.700 -0.045 0.000 0.885 969 E HN 0.337 nan 8.360 nan 0.000 0.500 970 T N 0.556 115.038 114.554 -0.121 0.000 2.799 970 T HA 0.086 4.436 4.350 -0.000 0.000 0.286 970 T C 1.127 175.725 174.700 -0.171 0.000 0.973 970 T CA -0.359 61.668 62.100 -0.122 0.000 1.035 970 T CB 1.618 70.394 68.868 -0.154 0.000 0.932 970 T HN 0.039 nan 8.240 nan 0.000 0.469 971 S N 1.872 117.556 115.700 -0.027 0.000 2.501 971 S HA 0.071 4.541 4.470 -0.000 0.000 0.220 971 S C 0.275 174.907 174.600 0.054 0.000 0.997 971 S CA 0.253 58.482 58.200 0.049 0.000 0.919 971 S CB -0.198 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 0.381 119.440 119.070 -0.019 0.000 2.806 972 H HA 0.512 5.068 4.556 -0.000 0.000 0.367 972 H C 0.939 176.265 175.328 -0.002 0.000 1.136 972 H CA -0.740 55.377 56.048 0.114 0.000 1.178 972 H CB 1.509 31.411 29.762 0.232 0.000 1.718 972 H HN 0.108 nan 8.280 nan 0.000 0.540 973 R N 1.410 122.048 120.500 0.231 0.000 2.117 973 R HA -0.219 4.121 4.340 -0.000 0.000 0.243 973 R C 1.404 177.742 176.300 0.064 0.000 1.143 973 R CA 2.130 58.295 56.100 0.109 0.000 0.968 973 R CB -0.631 29.748 30.300 0.131 0.000 0.863 973 R HN 0.785 nan 8.270 nan 0.000 0.444 974 H N 1.593 120.677 119.070 0.023 0.000 2.489 974 H HA -0.020 4.536 4.556 -0.000 0.000 0.293 974 H C 1.622 176.884 175.328 -0.111 0.000 1.066 974 H CA 1.157 57.171 56.048 -0.058 0.000 1.305 974 H CB -0.283 29.424 29.762 -0.093 0.000 1.386 974 H HN 0.342 nan 8.280 nan 0.000 0.551 975 L N 0.845 121.676 121.223 -0.654 0.000 2.599 975 L HA 0.192 4.532 4.340 -0.000 0.000 0.230 975 L C 0.527 177.306 176.870 -0.152 0.000 1.141 975 L CA -0.077 54.501 54.840 -0.437 0.000 0.877 975 L CB -0.116 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 0.343 121.471 121.223 -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 54.285 54.840 -0.162 0.000 0.804 976 L CB 0.686 42.456 42.059 -0.481 0.000 1.146 976 L HN 0.124 nan 8.230 nan 0.000 0.451 977 H N 0.588 119.743 119.070 0.141 0.000 2.806 977 H HA 0.640 5.196 4.556 -0.000 0.000 0.367 977 H C -0.848 174.584 175.328 0.173 0.000 1.136 977 H CA -1.227 54.908 56.048 0.145 0.000 1.178 977 H CB 1.301 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 2.838 125.691 122.820 0.055 0.000 2.531 978 A HA 0.095 4.415 4.320 -0.000 0.000 0.236 978 A C 0.369 177.921 177.584 -0.052 0.000 1.062 978 A CA -0.071 51.821 52.037 -0.242 0.000 0.760 978 A CB -0.009 18.859 19.000 -0.219 0.000 0.995 978 A HN 0.815 nan 8.150 nan 0.000 0.501 979 E N 0.499 120.623 120.200 -0.127 0.000 2.292 979 E HA 0.131 4.481 4.350 -0.000 0.000 0.258 979 E C 0.709 177.298 176.600 -0.019 0.000 1.115 979 E CA -0.699 55.728 56.400 0.044 0.000 0.929 979 E CB 0.657 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 0.275 120.468 120.200 -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 58.126 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 -1.405 107.276 108.800 -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 -0.642 174.154 174.900 -0.174 0.000 1.417 981 G CA -0.073 44.921 45.100 -0.175 0.000 0.777 981 G HN 0.120 nan 8.290 nan 0.000 0.721 982 T N 0.412 114.852 114.554 -0.189 0.000 2.841 982 T HA 0.397 4.747 4.350 -0.000 0.000 0.285 982 T C -1.583 172.970 174.700 -0.246 0.000 0.991 982 T CA -0.121 61.899 62.100 -0.134 0.000 0.966 982 T CB 1.652 70.546 68.868 0.044 0.000 0.962 982 T HN 0.322 nan 8.240 nan 0.000 0.438 983 W N 3.003 124.216 121.300 -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 0.916 30.300 29.460 -0.126 0.000 1.221 983 W HN 0.338 nan 8.180 nan 0.000 0.519 984 L N 5.493 126.780 121.223 0.106 0.000 2.381 984 L HA 0.485 4.825 4.340 -0.000 0.000 0.274 984 L C -1.071 175.733 176.870 -0.110 0.000 0.988 984 L CA -0.532 54.238 54.840 -0.117 0.000 0.824 984 L CB 1.021 42.880 42.059 -0.333 0.000 1.263 984 L HN 0.329 nan 8.230 nan 0.000 0.410 985 N N 6.910 125.527 118.700 -0.139 0.000 2.443 985 N HA 0.498 5.238 4.740 -0.000 0.000 0.269 985 N C -1.214 174.180 175.510 -0.193 0.000 0.985 985 N CA -0.294 52.664 53.050 -0.154 0.000 0.921 985 N CB 2.311 40.727 38.487 -0.118 0.000 1.195 985 N HN 0.502 nan 8.380 nan 0.000 0.492 986 I N 1.688 122.099 120.570 -0.265 0.000 2.382 986 I HA 0.261 4.431 4.170 -0.000 0.000 0.285 986 I C -0.657 175.298 176.117 -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 39.285 38.000 -0.533 0.000 1.289 986 I HN 0.140 nan 8.210 nan 0.000 0.453 987 D N 4.605 124.876 120.400 -0.215 0.000 2.217 987 D HA 0.307 4.947 4.640 -0.000 0.000 0.243 987 D C 1.021 177.052 176.300 -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 1.247 109.507 108.800 -0.901 0.000 2.430 988 G HA2 0.036 3.996 3.960 -0.000 0.000 0.216 988 G HA3 0.036 3.996 3.960 -0.000 0.000 0.216 988 G C 0.063 174.103 174.900 -1.434 0.000 1.146 988 G CA 0.489 44.775 45.100 -1.357 0.000 0.793 988 G HN 0.386 nan 8.290 nan 0.000 0.537 989 F N -1.811 117.932 119.950 -0.345 0.000 2.654 989 F HA 0.544 5.071 4.527 -0.000 0.000 0.308 989 F C -0.695 175.008 175.800 -0.161 0.000 1.108 989 F CA -1.215 56.666 58.000 -0.199 0.000 0.957 989 F CB 1.978 40.800 39.000 -0.296 0.000 1.309 989 F HN -0.074 nan 8.300 nan 0.000 0.446 990 H N 2.540 121.627 119.070 0.029 0.000 2.954 990 H HA 0.388 4.944 4.556 -0.000 0.000 0.361 990 H C -1.126 174.227 175.328 0.041 0.000 1.122 990 H CA -0.745 55.289 56.048 -0.022 0.000 1.217 990 H CB 2.394 32.123 29.762 -0.056 0.000 1.776 990 H HN 0.864 nan 8.280 nan 0.000 0.533 991 M N 2.764 122.327 119.600 -0.062 0.000 2.250 991 M HA 0.249 4.729 4.480 -0.000 0.000 0.325 991 M C 0.555 176.976 176.300 0.201 0.000 1.084 991 M CA 0.480 55.806 55.300 0.044 0.000 1.161 991 M CB 0.354 32.875 32.600 -0.131 0.000 1.481 991 M HN 0.728 nan 8.290 nan 0.000 0.449 992 G N 2.899 111.791 108.800 0.154 0.000 2.684 992 G HA2 0.325 4.285 3.960 -0.000 0.000 0.255 992 G HA3 0.325 4.285 3.960 -0.000 0.000 0.255 992 G C 0.549 175.427 174.900 -0.036 0.000 1.219 992 G CA -0.285 44.832 45.100 0.029 0.000 0.901 992 G HN 0.993 nan 8.290 nan 0.000 0.548 993 I N -2.464 118.032 120.570 -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 61.704 61.300 -0.165 0.000 1.301 993 I CB -0.361 37.452 38.000 -0.312 0.000 1.105 993 I HN 0.963 nan 8.210 nan 0.000 0.427 994 G N 1.668 110.414 108.800 -0.090 0.000 2.645 994 G HA2 0.039 3.998 3.960 -0.000 0.000 0.239 994 G HA3 0.039 3.998 3.960 -0.000 0.000 0.239 994 G C 0.570 175.456 174.900 -0.022 0.000 1.331 994 G CA 0.121 45.205 45.100 -0.026 0.000 0.890 994 G HN 1.411 nan 8.290 nan 0.000 0.572 995 G N -2.287 106.513 108.800 -0.001 0.000 2.559 995 G HA2 0.046 4.006 3.960 -0.000 0.000 0.202 995 G HA3 0.046 4.006 3.960 -0.000 0.000 0.202 995 G C 0.585 175.514 174.900 0.048 0.000 0.992 995 G CA 0.917 46.022 45.100 0.008 0.000 0.764 995 G HN 0.969 nan 8.290 nan 0.000 0.525 996 D N 1.224 121.666 120.400 0.070 0.000 2.228 996 D HA 0.132 4.771 4.640 -0.000 0.000 0.203 996 D C 0.947 177.240 176.300 -0.012 0.000 0.988 996 D CA 2.111 56.207 54.000 0.160 0.000 0.864 996 D CB 0.129 41.040 40.800 0.184 0.000 0.928 996 D HN 0.846 nan 8.370 nan 0.000 0.469 997 D N -3.801 116.379 120.400 -0.366 0.000 2.694 997 D HA 0.265 4.905 4.640 -0.000 0.000 0.260 997 D C -0.873 174.842 176.300 -0.976 0.000 1.250 997 D CA -0.733 52.585 54.000 -1.137 0.000 0.763 997 D CB 0.762 40.441 40.800 -1.868 0.000 1.311 997 D HN -0.293 nan 8.370 nan 0.000 0.420 998 S N -0.144 114.765 115.700 -1.319 0.000 2.588 998 S HA 0.255 4.725 4.470 -0.000 0.000 0.245 998 S C -0.622 174.041 174.600 0.106 0.000 1.021 998 S CA -0.715 57.342 58.200 -0.239 0.000 1.006 998 S CB -0.617 62.752 63.200 0.281 0.000 0.830 998 S HN 0.597 nan 8.310 nan 0.000 0.468 999 W N 1.118 122.350 121.300 -0.113 0.000 1.832 999 W HA 0.597 5.257 4.660 -0.000 0.000 0.297 999 W C -0.059 176.399 176.519 -0.102 0.000 0.891 999 W CA -0.703 56.570 57.345 -0.120 0.000 2.000 999 W CB -0.577 28.770 29.460 -0.189 0.000 1.081 999 W HN 0.175 nan 8.180 nan 0.000 0.499 1000 S N -1.289 114.310 115.700 -0.167 0.000 2.595 1000 S HA 0.583 5.052 4.470 -0.000 0.000 0.270 1000 S C -3.255 171.275 174.600 -0.117 0.000 1.145 1000 S CA -1.479 56.641 58.200 -0.134 0.000 0.825 1000 S CB 1.511 64.633 63.200 -0.129 0.000 1.107 1000 S HN -0.195 nan 8.310 nan 0.000 0.461 1001 P HA 0.271 nan 4.420 nan 0.000 0.270 1001 P C 0.260 177.590 177.300 0.051 0.000 1.242 1001 P CA -0.110 62.996 63.100 0.010 0.000 0.768 1001 P CB 0.701 32.301 31.700 -0.167 0.000 0.820 1002 S N 1.063 116.825 115.700 0.103 0.000 2.819 1002 S HA 0.169 4.639 4.470 -0.000 0.000 0.249 1002 S C 0.162 174.832 174.600 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 62.919 63.200 -0.034 0.000 1.017 1002 S HN 0.099 nan 8.310 nan 0.000 0.576 1003 V N 4.147 124.179 119.914 0.197 0.000 2.385 1003 V HA 0.457 4.576 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 62.025 62.300 0.197 0.000 0.906 1003 V CB 0.762 32.667 31.823 0.137 0.000 0.995 1003 V HN 0.676 nan 8.190 nan 0.000 0.467 1004 S N 4.674 120.559 115.700 0.309 0.000 2.572 1004 S HA 0.330 4.800 4.470 -0.000 0.000 0.279 1004 S C 1.507 176.267 174.600 0.267 0.000 1.341 1004 S CA 0.032 58.410 58.200 0.296 0.000 1.043 1004 S CB 1.400 64.741 63.200 0.235 0.000 0.887 1004 S HN 1.063 nan 8.310 nan 0.000 0.516 1005 A N 2.153 125.068 122.820 0.159 0.000 1.958 1005 A HA -0.188 4.132 4.320 -0.000 0.000 0.221 1005 A C 1.915 179.509 177.584 0.016 0.000 1.178 1005 A CA 1.968 54.075 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 -1.212 118.900 120.200 -0.147 0.000 2.409 1006 E HA -0.086 4.264 4.350 -0.000 0.000 0.198 1006 E C 0.777 176.998 176.600 -0.632 0.000 1.024 1006 E CA 0.991 57.134 56.400 -0.428 0.000 0.861 1006 E CB -0.312 28.973 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 0.668 176.510 175.800 0.071 0.000 1.090 1007 F CA -0.451 57.599 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 1.188 121.108 119.800 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 -0.541 55.366 55.803 0.172 0.000 0.895 1008 Q CB 1.830 30.768 28.738 0.334 0.000 1.230 1008 Q HN 0.236 nan 8.270 nan 0.000 0.450 1009 L N 2.355 123.593 121.223 0.025 0.000 2.422 1009 L HA 0.117 4.457 4.340 -0.000 0.000 0.256 1009 L C 0.612 177.382 176.870 -0.167 0.000 1.202 1009 L CA -0.063 54.750 54.840 -0.045 0.000 1.119 1009 L CB -0.295 41.637 42.059 -0.211 0.000 1.383 1009 L HN 0.732 nan 8.230 nan 0.000 0.411 1010 S N -1.069 114.493 115.700 -0.230 0.000 2.539 1010 S HA 0.115 4.585 4.470 -0.000 0.000 0.221 1010 S C 1.790 176.294 174.600 -0.161 0.000 0.987 1010 S CA 0.219 58.112 58.200 -0.511 0.000 0.929 1010 S CB 0.682 63.636 63.200 -0.410 0.000 0.832 1010 S HN 0.513 nan 8.310 nan 0.000 0.492 1011 A N 1.852 124.624 122.820 -0.080 0.000 2.024 1011 A HA 0.354 4.674 4.320 -0.000 0.000 0.220 1011 A C 2.203 179.631 177.584 -0.259 0.000 1.164 1011 A CA 1.630 53.489 52.037 -0.296 0.000 0.643 1011 A CB -1.401 17.146 19.000 -0.755 0.000 0.806 1011 A HN 1.528 nan 8.150 nan 0.000 0.451 1012 G N -1.862 106.876 108.800 -0.104 0.000 2.363 1012 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.238 1012 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.238 1012 G C 0.423 175.297 174.900 -0.043 0.000 1.062 1012 G CA 0.454 45.549 45.100 -0.009 0.000 0.629 1012 G HN 0.728 nan 8.290 nan 0.000 0.514 1013 R N -0.654 119.654 120.500 -0.319 0.000 2.574 1013 R HA 0.650 4.990 4.340 -0.000 0.000 0.288 1013 R C -1.626 174.333 176.300 -0.569 0.000 1.004 1013 R CA -0.632 55.333 56.100 -0.224 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 -0.371 175.702 175.900 0.288 0.000 0.981 1014 Y CA -0.899 57.193 58.100 -0.014 0.000 1.033 1014 Y CB 2.170 40.445 38.460 -0.308 0.000 1.245 1014 Y HN 0.591 nan 8.280 nan 0.000 0.455 1015 H N 2.600 121.971 119.070 0.501 0.000 2.771 1015 H HA 0.643 5.199 4.556 -0.000 0.000 0.361 1015 H C -1.743 173.956 175.328 0.618 0.000 1.108 1015 H CA -0.981 55.328 56.048 0.434 0.000 1.201 1015 H CB 1.319 31.226 29.762 0.242 0.000 1.681 1015 H HN 0.597 nan 8.280 nan 0.000 0.534 1016 Y N 1.279 121.280 120.300 -0.498 0.000 2.656 1016 Y HA 0.527 5.077 4.550 -0.000 0.000 0.334 1016 Y C -2.007 173.685 175.900 -0.346 0.000 1.179 1016 Y CA -1.097 56.825 58.100 -0.297 0.000 1.050 1016 Y CB 1.310 39.713 38.460 -0.095 0.000 1.308 1016 Y HN 0.700 nan 8.280 nan 0.000 0.456 1017 Q N 2.765 122.538 119.800 -0.044 0.000 2.416 1017 Q HA 0.805 5.145 4.340 -0.000 0.000 0.281 1017 Q C -1.929 174.138 176.000 0.111 0.000 1.067 1017 Q CA -1.125 54.654 55.803 -0.040 0.000 0.809 1017 Q CB 3.650 32.406 28.738 0.030 0.000 1.418 1017 Q HN 0.770 nan 8.270 nan 0.000 0.411 1018 L N 0.824 122.095 121.223 0.079 0.000 2.465 1018 L HA 0.695 5.035 4.340 -0.000 0.000 0.257 1018 L C -1.514 175.463 176.870 0.178 0.000 0.988 1018 L CA -1.131 53.793 54.840 0.140 0.000 0.827 1018 L CB 2.809 44.924 42.059 0.094 0.000 1.397 1018 L HN 0.475 nan 8.230 nan 0.000 0.410 1019 V N 1.426 121.480 119.914 0.233 0.000 2.531 1019 V HA 0.484 4.604 4.120 -0.000 0.000 0.301 1019 V C -1.039 175.250 176.094 0.326 0.000 1.034 1019 V CA -0.452 62.003 62.300 0.258 0.000 0.865 1019 V CB 2.137 34.083 31.823 0.205 0.000 0.995 1019 V HN 0.638 nan 8.190 nan 0.000 0.424 1023 K N 0.000 120.337 120.400 -0.106 0.000 2.780 1023 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1023 K CA 0.000 56.245 56.287 -0.070 0.000 0.838 1023 K CB 0.000 32.468 32.500 -0.053 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543