REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1jz0_1_D 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 -1.957 112.629 114.554 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 0.999 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 2.304 122.798 120.400 0.156 0.000 2.340 5 D HA 0.088 4.728 4.640 0.000 0.000 0.220 5 D C 0.977 177.474 176.300 0.330 0.000 1.039 5 D CA 0.122 54.325 54.000 0.337 0.000 0.866 5 D CB -0.000 41.050 40.800 0.417 0.000 0.913 5 D HN 0.564 nan 8.370 nan 0.000 0.523 6 S N 0.310 116.094 115.700 0.139 0.000 2.549 6 S HA 0.046 4.516 4.470 0.000 0.000 0.283 6 S C 1.373 176.021 174.600 0.080 0.000 1.320 6 S CA -0.649 57.595 58.200 0.073 0.000 1.058 6 S CB 1.070 64.285 63.200 0.025 0.000 0.882 6 S HN -0.116 nan 8.310 nan 0.000 0.498 7 L N 4.143 125.397 121.223 0.051 0.000 1.997 7 L HA -0.128 4.212 4.340 0.000 0.000 0.216 7 L C 3.017 179.905 176.870 0.030 0.000 1.074 7 L CA 2.601 57.477 54.840 0.061 0.000 0.763 7 L CB -1.792 40.262 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 4.083 4.320 0.000 0.000 0.221 8 A C 2.490 180.070 177.584 -0.006 0.000 1.190 8 A CA 2.434 54.474 52.037 0.005 0.000 0.647 8 A CB -1.063 17.936 19.000 -0.001 0.000 0.821 8 A HN 0.263 nan 8.150 nan 0.000 0.457 9 V N -0.911 118.990 119.914 -0.022 0.000 2.273 9 V HA -0.164 3.956 4.120 0.000 0.000 0.242 9 V C 2.572 178.596 176.094 -0.117 0.000 1.035 9 V CA 1.722 63.987 62.300 -0.058 0.000 1.013 9 V CB -0.393 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 0.684 120.499 119.914 -0.165 0.000 2.231 10 V HA -0.305 3.815 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 2.340 64.432 62.300 -0.347 0.000 1.022 10 V CB -0.756 30.801 31.823 -0.443 0.000 0.640 10 V HN 0.494 nan 8.190 nan 0.000 0.445 11 L N 0.351 121.568 121.223 -0.011 0.000 2.633 11 L HA -0.123 4.217 4.340 0.000 0.000 0.235 11 L C 2.384 179.334 176.870 0.133 0.000 1.163 11 L CA 0.812 55.788 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 0.431 nan 8.230 nan 0.000 0.451 12 Q N 1.044 120.844 119.800 -0.000 0.000 2.079 12 Q HA -0.149 4.191 4.340 0.000 0.000 0.200 12 Q C 2.312 178.253 176.000 -0.098 0.000 0.974 12 Q CA 1.493 57.276 55.803 -0.035 0.000 0.840 12 Q CB -0.044 28.662 28.738 -0.054 0.000 0.898 12 Q HN 0.223 nan 8.270 nan 0.000 0.430 13 R N 0.370 120.788 120.500 -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 57.144 56.100 -0.193 0.000 0.967 13 R CB -0.265 29.921 30.300 -0.190 0.000 0.861 13 R HN 0.356 nan 8.270 nan 0.000 0.442 14 R N 0.747 120.941 120.500 -0.511 0.000 3.261 14 R HA -0.126 4.214 4.340 0.000 0.000 0.257 14 R C -0.052 175.693 176.300 -0.926 0.000 1.014 14 R CA 0.412 55.734 56.100 -1.297 0.000 0.681 14 R CB -1.207 28.541 30.300 -0.919 0.000 1.155 14 R HN 0.335 nan 8.270 nan 0.000 0.424 15 D N -0.278 119.801 120.400 -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 1.840 55.628 54.000 -0.353 0.000 0.847 15 D CB -0.153 40.232 40.800 -0.693 0.000 0.942 15 D HN 0.731 nan 8.370 nan 0.000 0.467 16 W N 1.593 122.932 121.300 0.064 0.000 3.204 16 W HA 0.134 4.794 4.660 0.000 0.000 0.249 16 W C 0.457 177.090 176.519 0.190 0.000 1.322 16 W CA -0.115 57.367 57.345 0.229 0.000 1.593 16 W CB -0.244 29.381 29.460 0.275 0.000 1.122 16 W HN -0.167 nan 8.180 nan 0.000 0.710 17 E N 0.945 120.974 120.200 -0.284 0.000 2.995 17 E HA 0.058 4.408 4.350 0.000 0.000 0.203 17 E C -0.774 175.718 176.600 -0.180 0.000 0.980 17 E CA -0.224 56.091 56.400 -0.141 0.000 1.172 17 E CB -0.179 29.474 29.700 -0.079 0.000 1.088 17 E HN 0.093 nan 8.360 nan 0.000 0.463 18 N N 1.225 119.838 118.700 -0.145 0.000 2.594 18 N HA 0.136 4.876 4.740 0.000 0.000 0.280 18 N C -2.243 173.149 175.510 -0.197 0.000 1.156 18 N CA -1.950 50.981 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 -0.048 nan 4.420 nan 0.000 0.220 19 P C 1.175 178.247 177.300 -0.380 0.000 1.144 19 P CA 1.059 63.835 63.100 -0.541 0.000 0.800 19 P CB 0.131 31.064 31.700 -1.278 0.000 0.772 20 G N -0.598 108.017 108.800 -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 0.354 175.183 174.900 -0.118 0.000 1.130 20 G CA 0.208 45.181 45.100 -0.211 0.000 0.784 20 G HN 0.239 nan 8.290 nan 0.000 0.543 21 V N 1.221 121.087 119.914 -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 0.183 62.491 62.300 0.014 0.000 0.831 21 V CB 1.311 33.138 31.823 0.006 0.000 1.000 21 V HN 0.299 nan 8.190 nan 0.000 0.433 22 T N 0.754 115.363 114.554 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 0.402 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 -1.065 54.799 55.803 0.100 0.000 0.766 23 Q CB 0.981 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 -0.842 54.160 54.840 0.270 0.000 0.866 24 L CB 1.921 44.244 42.059 0.440 0.000 1.248 24 L HN 0.858 nan 8.230 nan 0.000 0.404 25 N N 0.888 119.687 118.700 0.165 0.000 2.741 25 N HA -0.219 4.521 4.740 0.000 0.000 0.251 25 N C 0.180 175.768 175.510 0.131 0.000 1.112 25 N CA 0.816 53.962 53.050 0.160 0.000 0.750 25 N CB -0.767 37.808 38.487 0.148 0.000 1.119 25 N HN 0.694 nan 8.380 nan 0.000 0.561 26 R N 1.160 121.611 120.500 -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 -0.442 55.340 56.100 -0.529 0.000 1.014 26 R CB 0.611 30.601 30.300 -0.516 0.000 1.007 26 R HN 0.110 nan 8.270 nan 0.000 0.466 27 L N 2.571 123.612 121.223 -0.303 0.000 2.456 27 L HA 0.281 4.621 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 -0.511 54.263 54.840 -0.111 0.000 0.826 27 L CB 0.230 42.265 42.059 -0.039 0.000 1.150 27 L HN 0.739 nan 8.230 nan 0.000 0.514 28 A N 0.240 123.066 122.820 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 -0.174 51.886 52.037 0.039 0.000 0.807 28 A CB 0.546 19.586 19.000 0.067 0.000 1.047 28 A HN 0.758 nan 8.150 nan 0.000 0.487 29 A N 0.821 123.657 122.820 0.027 0.000 2.332 29 A HA 0.693 5.013 4.320 0.000 0.000 0.258 29 A C 0.064 177.644 177.584 -0.008 0.000 1.087 29 A CA 0.565 52.559 52.037 -0.071 0.000 0.802 29 A CB -0.112 18.818 19.000 -0.118 0.000 1.042 29 A HN 2.036 nan 8.150 nan 0.000 0.489 30 H N -2.458 116.526 119.070 -0.144 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 54.410 56.048 -0.216 0.000 1.178 30 H CB 0.065 29.704 29.762 -0.204 0.000 1.836 30 H HN 0.428 nan 8.280 nan 0.000 0.495 31 P HA 0.208 nan 4.420 nan 0.000 0.272 31 P C -2.609 174.402 177.300 -0.482 0.000 1.240 31 P CA -1.524 61.348 63.100 -0.380 0.000 0.791 31 P CB -0.406 31.056 31.700 -0.395 0.000 0.978 32 P HA 0.073 nan 4.420 nan 0.000 0.261 32 P C -0.768 176.540 177.300 0.013 0.000 1.183 32 P CA 1.004 64.013 63.100 -0.153 0.000 0.761 32 P CB -0.181 31.516 31.700 -0.006 0.000 0.785 33 F N 1.236 121.316 119.950 0.217 0.000 2.538 33 F HA 0.597 5.124 4.527 0.000 0.000 0.325 33 F C 1.139 176.918 175.800 -0.036 0.000 1.066 33 F CA -0.962 57.111 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 0.254 123.093 122.820 0.032 0.000 2.140 34 A HA 0.274 4.594 4.320 0.000 0.000 0.199 34 A C 0.880 178.251 177.584 -0.355 0.000 1.416 34 A CA 0.611 52.402 52.037 -0.410 0.000 1.018 34 A CB -0.065 18.117 19.000 -1.363 0.000 1.117 34 A HN 0.820 nan 8.150 nan 0.000 0.480 35 S N -0.597 115.006 115.700 -0.162 0.000 3.748 35 S HA -0.131 4.339 4.470 0.000 0.000 0.329 35 S C 0.018 174.596 174.600 -0.036 0.000 1.104 35 S CA 0.388 58.522 58.200 -0.110 0.000 0.954 35 S CB -1.848 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 1.121 122.425 121.300 0.007 0.000 2.226 36 W HA 0.116 4.776 4.660 0.000 0.000 0.352 36 W C 1.584 178.102 176.519 -0.002 0.000 1.277 36 W CA -0.010 57.344 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 0.034 176.418 176.300 0.139 0.000 0.979 37 R CA -0.086 56.111 56.100 0.161 0.000 1.120 37 R CB 0.358 30.722 30.300 0.107 0.000 1.306 37 R HN 0.407 nan 8.270 nan 0.000 0.540 38 N N 0.896 119.698 118.700 0.170 0.000 2.454 38 N HA -0.011 4.729 4.740 0.000 0.000 0.291 38 N C 0.583 176.081 175.510 -0.020 0.000 1.079 38 N CA 0.168 53.262 53.050 0.073 0.000 0.893 38 N CB 2.111 40.635 38.487 0.062 0.000 1.512 38 N HN -0.080 nan 8.380 nan 0.000 0.497 39 S N 3.249 118.916 115.700 -0.055 0.000 2.369 39 S HA -0.218 4.252 4.470 0.000 0.000 0.225 39 S C 1.297 175.748 174.600 -0.249 0.000 1.043 39 S CA 1.340 59.461 58.200 -0.131 0.000 1.074 39 S CB -0.331 62.826 63.200 -0.073 0.000 0.962 39 S HN 0.666 nan 8.310 nan 0.000 0.433 40 E N 1.248 121.331 120.200 -0.196 0.000 2.086 40 E HA -0.178 4.172 4.350 0.000 0.000 0.200 40 E C 2.223 178.649 176.600 -0.290 0.000 1.012 40 E CA 1.683 57.938 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 2.055 178.234 176.600 -0.701 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 1.579 123.584 122.820 -1.357 0.000 1.877 42 A HA -0.236 4.084 4.320 0.000 0.000 0.216 42 A C 2.121 179.064 177.584 -1.068 0.000 1.186 42 A CA 1.802 52.487 52.037 -2.254 0.000 0.620 42 A CB -0.581 17.533 19.000 -1.476 0.000 0.822 42 A HN 0.136 nan 8.150 nan 0.000 0.443 43 R N -0.107 119.991 120.500 -0.670 0.000 2.127 43 R HA -0.135 4.205 4.340 0.000 0.000 0.238 43 R C 1.450 177.508 176.300 -0.403 0.000 1.134 43 R CA 2.071 57.864 56.100 -0.512 0.000 0.975 43 R CB -0.418 29.523 30.300 -0.598 0.000 0.865 43 R HN 0.592 nan 8.270 nan 0.000 0.447 44 T N -2.784 111.560 114.554 -0.350 0.000 3.134 44 T HA 0.122 4.472 4.350 0.000 0.000 0.260 44 T C -0.006 174.636 174.700 -0.096 0.000 1.027 44 T CA 0.120 62.101 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 0.271 nan 8.240 nan 0.000 0.553 45 D N 1.479 121.800 120.400 -0.132 0.000 2.723 45 D HA -0.152 4.488 4.640 0.000 0.000 0.236 45 D C 0.338 176.789 176.300 0.251 0.000 1.138 45 D CA 0.395 54.464 54.000 0.115 0.000 0.676 45 D CB -0.619 40.262 40.800 0.135 0.000 1.069 45 D HN 0.504 nan 8.370 nan 0.000 0.430 46 R N -0.364 120.301 120.500 0.275 0.000 2.745 46 R HA 0.560 4.900 4.340 0.000 0.000 0.251 46 R C -2.083 174.483 176.300 0.445 0.000 1.257 46 R CA -0.942 55.342 56.100 0.308 0.000 1.102 46 R CB -0.373 30.062 30.300 0.224 0.000 1.151 46 R HN 0.135 nan 8.270 nan 0.000 0.571 47 P HA 0.153 nan 4.420 nan 0.000 0.301 47 P C -0.984 176.360 177.300 0.074 0.000 1.337 47 P CA -0.420 62.773 63.100 0.155 0.000 0.889 47 P CB 1.681 33.442 31.700 0.102 0.000 1.050 48 S N 1.844 117.446 115.700 -0.163 0.000 2.508 48 S HA 0.133 4.603 4.470 0.000 0.000 0.284 48 S C 1.048 175.610 174.600 -0.064 0.000 1.192 48 S CA -0.454 57.597 58.200 -0.249 0.000 1.070 48 S CB 0.593 63.358 63.200 -0.725 0.000 1.004 48 S HN 0.320 nan 8.310 nan 0.000 0.493 49 Q N 2.345 122.162 119.800 0.029 0.000 2.369 49 Q HA -0.052 4.288 4.340 0.000 0.000 0.206 49 Q C 0.927 177.071 176.000 0.240 0.000 0.963 49 Q CA 0.522 56.401 55.803 0.128 0.000 0.894 49 Q CB -0.163 28.663 28.738 0.146 0.000 0.965 49 Q HN 0.783 nan 8.270 nan 0.000 0.475 50 Q N 0.528 120.398 119.800 0.116 0.000 2.444 50 Q HA 0.115 4.455 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 -0.056 28.624 28.738 -0.097 0.000 1.027 50 Q HN 0.167 nan 8.270 nan 0.000 0.513 51 L N 1.005 122.297 121.223 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 1.534 43.567 42.059 -0.042 0.000 1.232 51 L HN -0.110 nan 8.230 nan 0.000 0.413 52 R N 2.727 123.332 120.500 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 55.626 56.100 0.116 0.000 0.887 52 R CB 2.270 32.654 30.300 0.140 0.000 1.184 52 R HN 0.707 nan 8.270 nan 0.000 0.445 53 S N 3.144 118.864 115.700 0.034 0.000 2.562 53 S HA 0.308 4.778 4.470 0.000 0.000 0.275 53 S C 0.858 175.472 174.600 0.023 0.000 1.281 53 S CA -0.529 57.685 58.200 0.023 0.000 1.045 53 S CB 0.566 63.787 63.200 0.035 0.000 0.962 53 S HN 0.566 nan 8.310 nan 0.000 0.503 54 L N 3.487 124.734 121.223 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 -0.507 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 1.696 120.513 118.700 0.195 0.000 2.513 55 N HA 0.480 5.220 4.740 0.000 0.000 0.268 55 N C 0.641 176.297 175.510 0.243 0.000 1.180 55 N CA 0.758 53.921 53.050 0.188 0.000 0.948 55 N CB 1.789 40.318 38.487 0.069 0.000 1.083 55 N HN 0.337 nan 8.380 nan 0.000 0.455 56 G N 0.923 109.908 108.800 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 -0.766 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 -0.413 119.978 120.200 0.320 0.000 2.338 57 E HA 0.516 4.866 4.350 0.000 0.000 0.272 57 E C -1.061 175.791 176.600 0.420 0.000 1.029 57 E CA 0.039 56.627 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 0.390 nan 8.360 nan 0.000 0.417 58 W N 1.396 122.770 121.300 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 30.614 29.460 0.249 0.000 1.484 58 W HN 0.273 nan 8.180 nan 0.000 0.586 59 R N 1.604 122.362 120.500 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 -0.835 55.448 56.100 0.304 0.000 0.889 59 R CB 1.991 32.412 30.300 0.201 0.000 1.123 59 R HN 0.369 nan 8.270 nan 0.000 0.455 60 F N 1.121 121.070 119.950 -0.002 0.000 2.563 60 F HA 0.698 5.225 4.527 0.000 0.000 0.316 60 F C -1.388 174.262 175.800 -0.250 0.000 1.076 60 F CA -0.683 57.173 58.000 -0.240 0.000 0.921 60 F CB 2.089 40.803 39.000 -0.477 0.000 1.209 60 F HN 0.657 nan 8.300 nan 0.000 0.462 61 A N 4.470 126.334 122.820 -1.594 0.000 2.517 61 A HA 0.522 4.842 4.320 0.000 0.000 0.297 61 A C -2.422 174.282 177.584 -1.468 0.000 1.050 61 A CA -0.519 50.784 52.037 -1.224 0.000 0.694 61 A CB 0.526 19.220 19.000 -0.509 0.000 1.277 61 A HN 0.968 nan 8.150 nan 0.000 0.400 62 W N 2.648 123.171 121.300 -1.295 0.000 2.551 62 W HA 0.779 5.439 4.660 0.000 0.000 0.330 62 W C -1.902 174.140 176.519 -0.795 0.000 1.063 62 W CA -0.439 56.365 57.345 -0.902 0.000 1.222 62 W CB 1.204 30.320 29.460 -0.574 0.000 1.349 62 W HN 0.494 nan 8.180 nan 0.000 0.536 63 F N 5.795 125.100 119.950 -1.075 0.000 2.578 63 F HA 0.335 4.862 4.527 0.000 0.000 0.311 63 F C -1.388 173.540 175.800 -1.453 0.000 1.094 63 F CA -2.670 54.816 58.000 -0.857 0.000 0.923 63 F CB 1.478 40.156 39.000 -0.537 0.000 1.230 63 F HN 0.193 nan 8.300 nan 0.000 0.450 64 P HA 0.026 nan 4.420 nan 0.000 0.225 64 P C -0.184 177.016 177.300 -0.167 0.000 1.148 64 P CA 1.119 64.037 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 -1.245 121.478 122.820 -0.161 0.000 2.599 65 A HA 0.503 4.823 4.320 0.000 0.000 0.294 65 A C -2.411 175.071 177.584 -0.170 0.000 1.055 65 A CA -1.003 50.969 52.037 -0.107 0.000 0.683 65 A CB 0.490 19.489 19.000 -0.001 0.000 1.278 65 A HN -0.289 nan 8.150 nan 0.000 0.412 66 P HA -0.145 nan 4.420 nan 0.000 0.215 66 P C 0.891 178.080 177.300 -0.185 0.000 1.153 66 P CA 1.773 64.724 63.100 -0.248 0.000 0.853 66 P CB 0.199 31.725 31.700 -0.291 0.000 0.788 67 E N 0.711 120.867 120.200 -0.073 0.000 2.070 67 E HA -0.166 4.184 4.350 0.000 0.000 0.197 67 E C 2.271 178.830 176.600 -0.068 0.000 1.004 67 E CA 1.758 58.140 56.400 -0.031 0.000 0.805 67 E CB -1.286 28.432 29.700 0.030 0.000 0.744 67 E HN 0.184 nan 8.360 nan 0.000 0.451 68 A N 1.114 123.900 122.820 -0.057 0.000 2.139 68 A HA -0.099 4.221 4.320 0.000 0.000 0.221 68 A C 0.996 178.467 177.584 -0.188 0.000 1.159 68 A CA 0.562 52.596 52.037 -0.006 0.000 0.662 68 A CB -0.601 18.492 19.000 0.154 0.000 0.796 68 A HN 0.078 nan 8.150 nan 0.000 0.463 69 V N 1.965 121.594 119.914 -0.475 0.000 2.655 69 V HA 0.209 4.329 4.120 0.000 0.000 0.300 69 V C -2.068 173.844 176.094 -0.302 0.000 1.044 69 V CA -1.196 60.655 62.300 -0.748 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 0.389 177.680 177.300 -0.016 0.000 1.306 70 P CA -0.548 62.522 63.100 -0.050 0.000 0.818 70 P CB 1.643 33.359 31.700 0.027 0.000 0.969 71 E N 1.869 122.052 120.200 -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 2.417 58.789 56.400 -0.047 0.000 0.817 71 E CB -0.274 29.399 29.700 -0.046 0.000 0.736 71 E HN 0.453 nan 8.360 nan 0.000 0.462 72 S N -0.233 115.460 115.700 -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 1.045 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 2.729 123.940 121.300 -0.149 0.000 2.308 73 W HA -0.177 4.483 4.660 0.000 0.000 0.301 73 W C 1.594 177.995 176.519 -0.196 0.000 1.220 73 W CA 1.044 58.290 57.345 -0.165 0.000 1.240 73 W CB -0.666 28.664 29.460 -0.217 0.000 1.142 73 W HN 0.252 nan 8.180 nan 0.000 0.521 74 L N 0.044 120.960 121.223 -0.513 0.000 2.083 74 L HA -0.214 4.126 4.340 0.000 0.000 0.209 74 L C 2.620 179.206 176.870 -0.474 0.000 1.083 74 L CA 1.520 55.938 54.840 -0.704 0.000 0.752 74 L CB -0.748 40.972 42.059 -0.565 0.000 0.899 74 L HN -0.066 nan 8.230 nan 0.000 0.433 75 E N -1.092 118.930 120.200 -0.296 0.000 2.057 75 E HA 0.053 4.403 4.350 0.000 0.000 0.190 75 E C 0.347 176.854 176.600 -0.155 0.000 0.969 75 E CA 0.512 56.804 56.400 -0.181 0.000 0.812 75 E CB 0.110 29.744 29.700 -0.111 0.000 0.777 75 E HN 0.336 nan 8.360 nan 0.000 0.455 76 C N 1.546 120.771 119.300 -0.125 0.000 2.712 76 C HA 0.371 4.831 4.460 0.000 0.000 0.308 76 C C -0.076 174.907 174.990 -0.012 0.000 1.201 76 C CA -1.326 57.654 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 1.194 121.606 120.400 0.021 0.000 2.378 77 D HA 0.238 4.878 4.640 0.000 0.000 0.238 77 D C -0.048 176.329 176.300 0.128 0.000 1.180 77 D CA 0.420 54.485 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 2.230 123.554 121.223 0.168 0.000 2.439 78 L HA 0.204 4.544 4.340 0.000 0.000 0.259 78 L C -1.108 175.802 176.870 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 42.713 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 0.028 0.000 0.856 79 P CB 0.160 31.872 31.700 0.020 0.000 0.786 80 E N 0.037 120.240 120.200 0.005 0.000 2.485 80 E HA 0.274 4.624 4.350 0.000 0.000 0.194 80 E C 0.708 177.292 176.600 -0.026 0.000 1.098 80 E CA -0.126 56.263 56.400 -0.018 0.000 0.878 80 E CB -0.682 28.992 29.700 -0.045 0.000 0.939 80 E HN 0.207 nan 8.360 nan 0.000 0.503 81 A N 1.132 123.951 122.820 -0.001 0.000 2.351 81 A HA 0.207 4.527 4.320 0.000 0.000 0.257 81 A C -0.094 177.514 177.584 0.040 0.000 1.087 81 A CA -0.426 51.610 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 0.060 nan 8.150 nan 0.000 0.488 82 D N 0.004 120.449 120.400 0.075 0.000 2.299 82 D HA 0.433 5.073 4.640 0.000 0.000 0.243 82 D C -0.745 175.640 176.300 0.143 0.000 0.982 82 D CA -0.098 53.977 54.000 0.125 0.000 0.924 82 D CB 1.740 42.669 40.800 0.214 0.000 1.238 82 D HN 0.419 nan 8.370 nan 0.000 0.484 83 T N 0.872 115.497 114.554 0.118 0.000 2.799 83 T HA 0.473 4.823 4.350 0.000 0.000 0.286 83 T C -0.125 174.643 174.700 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 3.248 123.257 119.914 0.158 0.000 3.078 84 V HA 0.501 4.621 4.120 0.000 0.000 0.311 84 V C -0.384 175.808 176.094 0.164 0.000 1.138 84 V CA -0.954 61.405 62.300 0.097 0.000 1.007 84 V CB 2.441 34.315 31.823 0.084 0.000 1.045 84 V HN 0.639 nan 8.190 nan 0.000 0.432 85 V N 2.386 122.364 119.914 0.107 0.000 2.509 85 V HA 0.523 4.643 4.120 0.000 0.000 0.284 85 V C -0.204 175.941 176.094 0.084 0.000 1.047 85 V CA -0.378 61.995 62.300 0.122 0.000 0.952 85 V CB 1.553 33.422 31.823 0.077 0.000 0.988 85 V HN 0.562 nan 8.190 nan 0.000 0.469 86 V N 7.043 126.952 119.914 -0.008 0.000 2.540 86 V HA 0.518 4.638 4.120 0.000 0.000 0.302 86 V C -2.246 173.757 176.094 -0.152 0.000 1.035 86 V CA -1.570 60.604 62.300 -0.210 0.000 0.873 86 V CB 2.658 34.026 31.823 -0.759 0.000 0.992 86 V HN 0.797 nan 8.190 nan 0.000 0.428 87 P HA 0.657 nan 4.420 nan 0.000 0.281 87 P C -0.991 176.266 177.300 -0.072 0.000 1.264 87 P CA -0.373 62.635 63.100 -0.154 0.000 0.824 87 P CB 1.847 33.457 31.700 -0.150 0.000 1.092 88 S N -0.559 115.122 115.700 -0.030 0.000 2.656 88 S HA 0.386 4.856 4.470 0.000 0.000 0.265 88 S C -1.522 173.065 174.600 -0.021 0.000 1.110 88 S CA -0.995 57.186 58.200 -0.032 0.000 0.821 88 S CB 0.005 63.212 63.200 0.011 0.000 1.099 88 S HN 0.366 nan 8.310 nan 0.000 0.471 89 N N 0.979 119.588 118.700 -0.151 0.000 2.392 89 N HA 0.469 5.209 4.740 0.000 0.000 0.283 89 N C 0.387 175.768 175.510 -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 2.738 123.921 121.300 -0.194 0.000 2.392 90 W HA -0.060 4.600 4.660 0.000 0.000 0.279 90 W C 0.864 177.369 176.519 -0.023 0.000 1.225 90 W CA 0.903 58.146 57.345 -0.170 0.000 1.233 90 W CB -0.369 28.906 29.460 -0.310 0.000 1.122 90 W HN 0.485 nan 8.180 nan 0.000 0.561 91 Q N 0.418 120.217 119.800 -0.003 0.000 2.291 91 Q HA -0.121 4.219 4.340 0.000 0.000 0.206 91 Q C 1.982 177.958 176.000 -0.040 0.000 0.976 91 Q CA 1.519 57.343 55.803 0.035 0.000 0.875 91 Q CB -0.685 27.950 28.738 -0.171 0.000 0.927 91 Q HN 0.212 nan 8.270 nan 0.000 0.450 92 M N -0.780 118.717 119.600 -0.172 0.000 2.630 92 M HA -0.043 4.437 4.480 0.000 0.000 0.254 92 M C 0.326 176.558 176.300 -0.113 0.000 1.092 92 M CA 1.230 56.394 55.300 -0.227 0.000 1.087 92 M CB -0.539 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 56.181 56.048 0.054 0.000 1.097 93 H CB 0.540 30.465 29.762 0.271 0.000 1.626 93 H HN 0.465 nan 8.280 nan 0.000 0.565 94 G N 0.580 109.401 108.800 0.035 0.000 2.199 94 G HA2 -0.425 3.535 3.960 0.000 0.000 0.254 94 G HA3 -0.425 3.535 3.960 0.000 0.000 0.254 94 G C 0.632 175.433 174.900 -0.165 0.000 0.982 94 G CA 0.626 45.663 45.100 -0.105 0.000 0.632 94 G HN 0.470 nan 8.290 nan 0.000 0.529 95 Y N 1.999 122.321 120.300 0.036 0.000 2.151 95 Y HA 0.160 4.711 4.550 0.000 0.000 0.284 95 Y C 1.760 177.450 175.900 -0.349 0.000 1.166 95 Y CA 1.748 59.733 58.100 -0.190 0.000 1.163 95 Y CB -0.188 38.157 38.460 -0.192 0.000 0.974 95 Y HN 0.681 nan 8.280 nan 0.000 0.511 96 D N -2.582 117.939 120.400 0.202 0.000 2.768 96 D HA 0.510 5.150 4.640 0.000 0.000 0.327 96 D C -1.182 175.237 176.300 0.198 0.000 1.302 96 D CA -0.700 53.418 54.000 0.196 0.000 0.897 96 D CB 0.650 41.716 40.800 0.443 0.000 1.420 96 D HN 0.031 nan 8.370 nan 0.000 0.494 97 A N -0.294 122.644 122.820 0.196 0.000 2.327 97 A HA 0.685 5.005 4.320 0.000 0.000 0.283 97 A C -2.401 175.231 177.584 0.081 0.000 1.127 97 A CA -1.057 51.073 52.037 0.154 0.000 0.810 97 A CB 0.013 19.150 19.000 0.227 0.000 1.066 97 A HN 0.478 nan 8.150 nan 0.000 0.492 98 P HA 0.569 nan 4.420 nan 0.000 0.286 98 P C -1.049 176.381 177.300 0.216 0.000 1.261 98 P CA -0.200 62.842 63.100 -0.097 0.000 0.821 98 P CB 0.968 32.345 31.700 -0.538 0.000 1.013 99 I N 2.377 123.169 120.570 0.369 0.000 2.474 99 I HA 0.320 4.490 4.170 0.000 0.000 0.294 99 I C -0.443 175.891 176.117 0.361 0.000 1.005 99 I CA -0.809 60.723 61.300 0.387 0.000 1.113 99 I CB 1.471 39.619 38.000 0.247 0.000 1.289 99 I HN 0.273 nan 8.210 nan 0.000 0.436 100 Y N 5.389 125.682 120.300 -0.012 0.000 2.712 100 Y HA 0.583 5.133 4.550 0.000 0.000 0.328 100 Y C -0.343 175.416 175.900 -0.234 0.000 0.995 100 Y CA -0.291 57.515 58.100 -0.490 0.000 1.283 100 Y CB 0.906 38.415 38.460 -1.584 0.000 1.092 100 Y HN 0.631 nan 8.280 nan 0.000 0.519 101 T N 4.178 118.213 114.554 -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 0.870 nan 8.240 nan 0.000 0.467 102 N N 2.025 120.328 118.700 -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 0.561 53.362 53.050 -0.414 0.000 0.898 102 N CB 0.260 38.527 38.487 -0.366 0.000 1.079 102 N HN 0.350 nan 8.380 nan 0.000 0.456 103 V N 0.397 119.989 119.914 -0.537 0.000 2.627 103 V HA 0.079 4.199 4.120 0.000 0.000 0.239 103 V C 0.552 176.310 176.094 -0.560 0.000 1.077 103 V CA 0.662 62.542 62.300 -0.700 0.000 1.103 103 V CB -0.024 31.348 31.823 -0.752 0.000 0.802 103 V HN 0.277 nan 8.190 nan 0.000 0.482 104 T N 1.336 115.639 114.554 -0.418 0.000 2.867 104 T HA 0.129 4.479 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 0.359 62.287 62.100 -0.287 0.000 1.159 104 T CB -0.336 68.405 68.868 -0.211 0.000 0.928 104 T HN 0.188 nan 8.240 nan 0.000 0.538 105 Y N 4.789 124.987 120.300 -0.170 0.000 2.610 105 Y HA 0.109 4.659 4.550 0.000 0.000 0.332 105 Y C -0.999 174.770 175.900 -0.219 0.000 1.201 105 Y CA -1.861 56.126 58.100 -0.188 0.000 1.465 105 Y CB 0.398 38.748 38.460 -0.183 0.000 1.283 105 Y HN 0.559 nan 8.280 nan 0.000 0.563 106 P HA -0.125 nan 4.420 nan 0.000 0.218 106 P C 0.185 177.300 177.300 -0.307 0.000 1.149 106 P CA 1.346 64.333 63.100 -0.187 0.000 0.817 106 P CB 0.174 31.738 31.700 -0.226 0.000 0.785 107 I N -4.523 115.782 120.570 -0.441 0.000 3.205 107 I HA 0.445 4.615 4.170 0.000 0.000 0.310 107 I C -0.445 175.534 176.117 -0.229 0.000 1.089 107 I CA -0.991 60.040 61.300 -0.448 0.000 1.023 107 I CB 1.279 38.838 38.000 -0.735 0.000 1.269 107 I HN -0.397 nan 8.210 nan 0.000 0.512 108 T N 2.346 116.808 114.554 -0.154 0.000 2.907 108 T HA 0.247 4.597 4.350 0.000 0.000 0.298 108 T C 0.122 174.813 174.700 -0.016 0.000 1.017 108 T CA -0.413 61.656 62.100 -0.052 0.000 1.118 108 T CB 1.066 69.930 68.868 -0.006 0.000 0.948 108 T HN 0.392 nan 8.240 nan 0.000 0.531 109 V N 4.345 124.272 119.914 0.022 0.000 2.352 109 V HA 0.268 4.388 4.120 0.000 0.000 0.253 109 V C 0.652 176.809 176.094 0.106 0.000 1.083 109 V CA -0.268 62.075 62.300 0.072 0.000 0.993 109 V CB -0.615 31.238 31.823 0.050 0.000 1.111 109 V HN 0.862 nan 8.190 nan 0.000 0.490 110 N N 5.315 124.139 118.700 0.207 0.000 2.679 110 N HA 0.244 4.984 4.740 0.000 0.000 0.240 110 N C -2.974 172.621 175.510 0.142 0.000 1.537 110 N CA -1.185 51.973 53.050 0.181 0.000 0.793 110 N CB 1.461 40.104 38.487 0.261 0.000 1.391 110 N HN 0.284 nan 8.380 nan 0.000 0.524 111 P HA 0.188 nan 4.420 nan 0.000 0.266 111 P C -2.349 174.653 177.300 -0.498 0.000 1.195 111 P CA -0.737 61.918 63.100 -0.741 0.000 0.768 111 P CB 0.369 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 -0.744 176.419 177.300 -0.228 0.000 1.708 112 P CA -0.277 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 1.054 177.030 175.800 0.294 0.000 1.110 113 F CA -1.172 56.965 58.000 0.230 0.000 1.130 113 F CB 1.299 40.376 39.000 0.128 0.000 1.129 113 F HN -0.291 nan 8.300 nan 0.000 0.500 114 V N 4.208 124.420 119.914 0.496 0.000 2.863 114 V HA 0.345 4.465 4.120 0.000 0.000 0.307 114 V C -1.856 174.424 176.094 0.310 0.000 1.061 114 V CA -1.797 60.719 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 0.095 nan 4.420 nan 0.000 0.274 115 P C 0.803 178.257 177.300 0.257 0.000 1.231 115 P CA 0.051 63.259 63.100 0.181 0.000 0.790 115 P CB 0.603 32.369 31.700 0.109 0.000 0.951 116 T N -0.254 114.415 114.554 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 1.260 63.473 62.100 0.188 0.000 1.140 116 T CB -0.639 68.305 68.868 0.126 0.000 0.864 116 T HN 0.399 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 -0.671 176.085 176.600 0.259 0.000 1.061 117 E CA -0.313 56.202 56.400 0.192 0.000 0.847 117 E CB 0.440 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 3.349 122.155 118.700 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 50.472 53.050 0.174 0.000 0.876 118 N CB 1.205 39.853 38.487 0.268 0.000 1.284 118 N HN -0.028 nan 8.380 nan 0.000 0.518 119 P HA -0.009 nan 4.420 nan 0.000 0.253 119 P C -0.722 176.456 177.300 -0.204 0.000 1.170 119 P CA 0.587 63.584 63.100 -0.172 0.000 0.806 119 P CB -0.042 31.842 31.700 0.306 0.000 0.775 120 T N 2.761 116.992 114.554 -0.538 0.000 2.829 120 T HA 0.581 4.931 4.350 0.000 0.000 0.282 120 T C 0.596 174.882 174.700 -0.691 0.000 0.990 120 T CA -0.470 61.375 62.100 -0.426 0.000 1.028 120 T CB 1.532 70.157 68.868 -0.405 0.000 0.951 120 T HN 0.301 nan 8.240 nan 0.000 0.460 121 G N 0.973 109.514 108.800 -0.432 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 -0.379 174.461 174.900 -0.100 0.000 1.333 121 G CA -0.486 44.357 45.100 -0.428 0.000 0.973 121 G HN 0.904 nan 8.290 nan 0.000 0.507 122 C N 3.073 122.028 119.300 -0.574 0.000 2.246 122 C HA 0.513 4.973 4.460 0.000 0.000 0.329 122 C C -0.576 174.361 174.990 -0.089 0.000 1.221 122 C CA -1.140 57.528 59.018 -0.584 0.000 1.697 122 C CB -1.700 25.032 27.740 -1.680 0.000 2.312 122 C HN 0.595 nan 8.230 nan 0.000 0.509 123 Y N 1.698 122.212 120.300 0.356 0.000 2.387 123 Y HA 0.628 5.178 4.550 0.000 0.000 0.336 123 Y C 0.726 177.099 175.900 0.789 0.000 1.067 123 Y CA -0.512 57.955 58.100 0.613 0.000 1.114 123 Y CB 1.382 40.198 38.460 0.594 0.000 1.208 123 Y HN 0.701 nan 8.280 nan 0.000 0.458 124 S N 3.080 119.276 115.700 0.825 0.000 2.546 124 S HA 0.832 5.302 4.470 0.000 0.000 0.274 124 S C -1.557 173.124 174.600 0.136 0.000 1.121 124 S CA -0.885 57.604 58.200 0.481 0.000 0.887 124 S CB 2.342 65.781 63.200 0.398 0.000 1.094 124 S HN 0.672 nan 8.310 nan 0.000 0.474 125 L N 0.828 121.983 121.223 -0.113 0.000 2.565 125 L HA 0.662 5.002 4.340 0.000 0.000 0.261 125 L C -1.535 175.304 176.870 -0.052 0.000 0.932 125 L CA 0.004 54.603 54.840 -0.401 0.000 0.878 125 L CB 2.191 43.397 42.059 -1.421 0.000 1.333 125 L HN 0.770 nan 8.230 nan 0.000 0.409 126 T N 5.299 119.841 114.554 -0.021 0.000 2.794 126 T HA 0.780 5.130 4.350 0.000 0.000 0.280 126 T C -0.884 173.908 174.700 0.154 0.000 0.987 126 T CA -0.080 62.055 62.100 0.058 0.000 0.993 126 T CB 0.619 69.466 68.868 -0.034 0.000 0.939 126 T HN 0.488 nan 8.240 nan 0.000 0.449 127 F N 0.676 120.545 119.950 -0.135 0.000 2.741 127 F HA 0.693 5.220 4.527 0.000 0.000 0.313 127 F C -1.043 174.699 175.800 -0.096 0.000 1.153 127 F CA -1.508 56.418 58.000 -0.122 0.000 0.931 127 F CB 1.259 40.176 39.000 -0.139 0.000 1.335 127 F HN 0.273 nan 8.300 nan 0.000 0.460 128 N N -0.128 118.523 118.700 -0.082 0.000 2.466 128 N HA 0.750 5.490 4.740 0.000 0.000 0.294 128 N C -1.738 173.721 175.510 -0.085 0.000 1.129 128 N CA -0.620 52.338 53.050 -0.153 0.000 0.931 128 N CB 2.212 40.639 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 -0.585 175.383 176.094 -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 1.274 177.490 176.300 -0.140 0.000 1.138 130 D CA 0.180 54.009 54.000 -0.285 0.000 0.877 130 D CB 1.301 41.881 40.800 -0.367 0.000 1.187 130 D HN 0.820 nan 8.370 nan 0.000 0.451 131 E N 2.590 122.756 120.200 -0.057 0.000 2.274 131 E HA -0.203 4.147 4.350 0.000 0.000 0.194 131 E C 1.398 178.038 176.600 0.066 0.000 0.996 131 E CA 0.915 57.324 56.400 0.014 0.000 0.840 131 E CB -0.172 29.533 29.700 0.008 0.000 0.772 131 E HN 0.435 nan 8.360 nan 0.000 0.491 132 S N 0.335 116.068 115.700 0.055 0.000 2.380 132 S HA -0.204 4.266 4.470 0.000 0.000 0.229 132 S C 1.557 176.260 174.600 0.172 0.000 1.043 132 S CA 1.488 59.753 58.200 0.109 0.000 1.038 132 S CB -0.745 62.526 63.200 0.119 0.000 0.872 132 S HN 0.538 nan 8.310 nan 0.000 0.456 133 W N 1.214 122.382 121.300 -0.220 0.000 2.402 133 W HA 0.241 4.901 4.660 0.000 0.000 0.286 133 W C 2.274 178.750 176.519 -0.072 0.000 1.221 133 W CA 0.132 57.218 57.345 -0.431 0.000 1.257 133 W CB -0.963 28.268 29.460 -0.382 0.000 1.120 133 W HN 0.327 nan 8.180 nan 0.000 0.551 134 L N -0.272 121.092 121.223 0.235 0.000 2.291 134 L HA -0.188 4.152 4.340 0.000 0.000 0.214 134 L C 2.247 179.197 176.870 0.135 0.000 1.120 134 L CA 0.989 55.935 54.840 0.176 0.000 0.799 134 L CB -0.358 41.771 42.059 0.117 0.000 0.925 134 L HN 0.027 nan 8.230 nan 0.000 0.446 135 Q N -0.325 119.548 119.800 0.122 0.000 1.864 135 Q HA -0.098 4.242 4.340 0.000 0.000 0.219 135 Q C 0.898 176.960 176.000 0.103 0.000 0.975 135 Q CA 0.964 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 0.674 120.946 120.200 0.120 0.000 2.292 136 E HA 0.398 4.748 4.350 0.000 0.000 0.258 136 E C 0.490 177.188 176.600 0.164 0.000 1.115 136 E CA 0.135 56.602 56.400 0.111 0.000 0.929 136 E CB 0.475 30.226 29.700 0.084 0.000 1.161 136 E HN 0.410 nan 8.360 nan 0.000 0.453 137 G N 0.597 109.419 108.800 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 -0.829 173.974 174.900 -0.161 0.000 1.331 137 G CA 0.242 45.250 45.100 -0.154 0.000 0.890 137 G HN 0.844 nan 8.290 nan 0.000 0.572 138 Q N -0.572 118.973 119.800 -0.425 0.000 2.347 138 Q HA 0.644 4.984 4.340 0.000 0.000 0.271 138 Q C -1.323 174.533 176.000 -0.241 0.000 1.064 138 Q CA -0.453 55.213 55.803 -0.227 0.000 0.800 138 Q CB 1.980 30.636 28.738 -0.136 0.000 1.304 138 Q HN 0.651 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 0.518 4.868 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 0.679 69.746 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 -1.257 175.108 176.300 0.109 0.000 0.994 140 R CA -0.973 55.197 56.100 0.118 0.000 0.945 140 R CB 1.672 32.027 30.300 0.092 0.000 1.194 140 R HN 0.519 nan 8.270 nan 0.000 0.476 141 I N 2.663 123.302 120.570 0.114 0.000 2.525 141 I HA 0.478 4.648 4.170 0.000 0.000 0.301 141 I C -1.075 175.038 176.117 -0.006 0.000 0.992 141 I CA -1.465 59.846 61.300 0.017 0.000 1.162 141 I CB 1.597 39.596 38.000 -0.002 0.000 1.332 141 I HN 0.661 nan 8.210 nan 0.000 0.458 142 I N 6.460 126.904 120.570 -0.211 0.000 2.512 142 I HA 0.263 4.433 4.170 0.000 0.000 0.287 142 I C -1.359 174.492 176.117 -0.443 0.000 1.069 142 I CA -0.403 60.781 61.300 -0.193 0.000 1.056 142 I CB 1.863 39.805 38.000 -0.097 0.000 1.229 142 I HN 0.329 nan 8.210 nan 0.000 0.429 143 F N 4.334 124.282 119.950 -0.003 0.000 2.334 143 F HA 0.276 4.803 4.527 0.000 0.000 0.367 143 F C 1.325 177.022 175.800 -0.173 0.000 1.115 143 F CA -0.430 57.497 58.000 -0.122 0.000 1.116 143 F CB 0.737 39.641 39.000 -0.159 0.000 1.230 143 F HN 0.469 nan 8.300 nan 0.000 0.484 144 D N 2.361 122.703 120.400 -0.097 0.000 2.310 144 D HA 0.056 4.696 4.640 0.000 0.000 0.212 144 D C 0.951 177.097 176.300 -0.258 0.000 0.965 144 D CA 0.904 54.799 54.000 -0.176 0.000 0.879 144 D CB 0.367 41.026 40.800 -0.236 0.000 0.921 144 D HN 0.662 nan 8.370 nan 0.000 0.510 145 G N -0.705 107.869 108.800 -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 44.180 45.100 -0.657 0.000 1.036 145 G HN -0.060 nan 8.290 nan 0.000 0.589 146 V N 2.428 122.124 119.914 -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 -0.666 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 0.171 53.263 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 2.242 117.926 115.700 -0.028 0.000 2.527 148 S HA 0.509 4.979 4.470 0.000 0.000 0.227 148 S C 0.485 175.149 174.600 0.107 0.000 1.059 148 S CA 0.281 58.515 58.200 0.057 0.000 0.919 148 S CB 0.162 63.414 63.200 0.087 0.000 0.805 148 S HN 0.706 nan 8.310 nan 0.000 0.500 149 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 -1.167 176.561 177.584 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 -0.988 118.827 119.950 -0.224 0.000 2.746 150 F HA 0.624 5.151 4.527 0.000 0.000 0.311 150 F C -1.464 174.323 175.800 -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 1.943 121.188 119.070 0.291 0.000 2.533 151 H HA 0.821 5.378 4.556 0.000 0.000 0.343 151 H C -1.350 174.059 175.328 0.136 0.000 1.160 151 H CA -0.677 55.489 56.048 0.197 0.000 1.218 151 H CB 2.325 32.272 29.762 0.310 0.000 1.566 151 H HN 0.859 nan 8.280 nan 0.000 0.522 152 L N 1.904 123.032 121.223 -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 43.789 42.059 -0.236 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 -0.047 0.000 2.864 153 W HA 0.649 5.309 4.660 0.000 0.000 0.343 153 W C -1.163 175.288 176.519 -0.113 0.000 1.109 153 W CA -0.827 56.460 57.345 -0.097 0.000 1.192 153 W CB 2.113 31.547 29.460 -0.044 0.000 1.426 153 W HN 0.689 nan 8.180 nan 0.000 0.529 154 C N 4.742 124.125 119.300 0.137 0.000 2.446 154 C HA 0.294 4.754 4.460 0.000 0.000 0.329 154 C C 0.015 175.113 174.990 0.181 0.000 1.166 154 C CA -0.429 58.645 59.018 0.093 0.000 1.341 154 C CB -0.615 27.094 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 1.009 176.581 175.510 0.103 0.000 1.031 155 N CA 2.013 55.109 53.050 0.078 0.000 0.720 155 N CB -1.289 37.245 38.487 0.077 0.000 0.930 155 N HN 1.895 nan 8.380 nan 0.000 0.543 156 G N -1.205 107.641 108.800 0.077 0.000 2.234 156 G HA2 -0.386 3.574 3.960 0.000 0.000 0.260 156 G HA3 -0.386 3.574 3.960 0.000 0.000 0.260 156 G C 0.232 175.309 174.900 0.296 0.000 0.987 156 G CA 0.664 45.803 45.100 0.065 0.000 0.625 156 G HN 0.576 nan 8.290 nan 0.000 0.532 157 R N -0.731 120.011 120.500 0.402 0.000 2.297 157 R HA 0.432 4.772 4.340 0.000 0.000 0.308 157 R C -0.051 176.570 176.300 0.534 0.000 1.029 157 R CA -0.873 55.542 56.100 0.525 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 4.103 125.551 121.300 0.247 0.000 2.251 158 W HA 0.069 4.729 4.660 0.000 0.000 0.327 158 W C -0.066 176.287 176.519 -0.276 0.000 1.361 158 W CA 0.056 57.122 57.345 -0.465 0.000 1.234 158 W CB 0.626 29.838 29.460 -0.412 0.000 1.212 158 W HN 0.349 nan 8.180 nan 0.000 0.557 159 V N 4.955 123.942 119.914 -1.545 0.000 2.840 159 V HA 0.585 4.705 4.120 0.000 0.000 0.234 159 V C 0.971 176.015 176.094 -1.750 0.000 1.159 159 V CA 0.849 62.340 62.300 -1.349 0.000 1.194 159 V CB -0.332 30.791 31.823 -1.167 0.000 0.971 159 V HN 0.788 nan 8.190 nan 0.000 0.494 160 G N -1.699 105.904 108.800 -1.995 0.000 2.489 160 G HA2 0.507 4.467 3.960 0.000 0.000 0.305 160 G HA3 0.507 4.467 3.960 0.000 0.000 0.305 160 G C -2.455 172.173 174.900 -0.455 0.000 1.311 160 G CA -0.263 44.119 45.100 -1.197 0.000 0.813 160 G HN 0.033 nan 8.290 nan 0.000 0.480 161 Y N -0.685 119.500 120.300 -0.192 0.000 2.588 161 Y HA 0.725 5.275 4.550 0.000 0.000 0.343 161 Y C -0.076 175.663 175.900 -0.268 0.000 1.065 161 Y CA -0.087 57.810 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 1.259 nan 8.280 nan 0.000 0.467 162 G N 3.092 111.113 108.800 -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 -2.228 172.216 174.900 -0.760 0.000 1.437 162 G CA -0.938 43.678 45.100 -0.807 0.000 0.886 162 G HN 0.620 nan 8.290 nan 0.000 0.509 163 Q N -0.217 119.386 119.800 -0.329 0.000 2.587 163 Q HA 0.613 4.953 4.340 0.000 0.000 0.293 163 Q C -1.399 174.597 176.000 -0.007 0.000 1.083 163 Q CA -0.892 54.832 55.803 -0.131 0.000 0.792 163 Q CB 2.793 31.500 28.738 -0.053 0.000 1.484 163 Q HN 0.669 nan 8.270 nan 0.000 0.446 164 D N -0.122 120.312 120.400 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 0.666 54.717 54.000 0.084 0.000 1.101 164 D CB -0.683 40.154 40.800 0.062 0.000 0.749 164 D HN 0.568 nan 8.370 nan 0.000 0.351 165 S N 3.453 119.229 115.700 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 0.689 58.993 58.200 0.172 0.000 0.957 165 S CB 0.158 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 0.027 120.613 120.500 0.143 0.000 2.334 166 R HA 0.406 4.746 4.340 0.000 0.000 0.212 166 R C 0.043 176.399 176.300 0.092 0.000 0.897 166 R CA 0.095 56.279 56.100 0.139 0.000 1.056 166 R CB -0.066 30.336 30.300 0.171 0.000 1.046 166 R HN 0.368 nan 8.270 nan 0.000 0.513 167 L N 1.336 122.591 121.223 0.055 0.000 2.303 167 L HA 0.479 4.819 4.340 0.000 0.000 0.266 167 L C -2.296 174.561 176.870 -0.022 0.000 1.011 167 L CA -2.412 52.434 54.840 0.009 0.000 0.818 167 L CB 1.842 43.899 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 -1.120 176.165 177.300 -0.025 0.000 1.218 168 P CA -0.180 62.889 63.100 -0.052 0.000 0.780 168 P CB 0.878 32.510 31.700 -0.113 0.000 0.901 169 S N 1.415 117.158 115.700 0.072 0.000 2.502 169 S HA 0.384 4.854 4.470 0.000 0.000 0.304 169 S C -0.637 173.986 174.600 0.039 0.000 1.097 169 S CA -0.626 57.606 58.200 0.053 0.000 1.045 169 S CB 1.047 64.400 63.200 0.255 0.000 1.019 169 S HN 0.347 nan 8.310 nan 0.000 0.481 170 E N 1.912 121.932 120.200 -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 1.690 31.374 29.700 -0.028 0.000 1.199 170 E HN 0.413 nan 8.360 nan 0.000 0.422 171 F N 0.062 120.064 119.950 0.086 0.000 2.588 171 F HA 0.265 4.792 4.527 0.000 0.000 0.310 171 F C -0.208 175.616 175.800 0.039 0.000 1.082 171 F CA -1.304 56.721 58.000 0.041 0.000 0.929 171 F CB 1.195 40.187 39.000 -0.014 0.000 1.254 171 F HN 0.248 nan 8.300 nan 0.000 0.455 172 D N 2.176 122.730 120.400 0.257 0.000 2.336 172 D HA 0.238 4.878 4.640 0.000 0.000 0.249 172 D C 0.521 176.951 176.300 0.218 0.000 1.213 172 D CA 0.348 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 0.593 nan 8.370 nan 0.000 0.483 173 L N 2.530 123.880 121.223 0.210 0.000 2.477 173 L HA -0.053 4.287 4.340 0.000 0.000 0.220 173 L C 2.210 179.319 176.870 0.399 0.000 1.106 173 L CA -0.046 54.942 54.840 0.246 0.000 0.851 173 L CB -0.078 42.101 42.059 0.200 0.000 0.994 173 L HN 0.340 nan 8.230 nan 0.000 0.462 174 S N 1.124 116.997 115.700 0.287 0.000 2.461 174 S HA -0.366 4.104 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 2.128 60.462 58.200 0.224 0.000 1.146 174 S CB -0.316 62.972 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 0.960 178.444 177.584 -0.166 0.000 1.213 175 A CA 0.147 52.161 52.037 -0.038 0.000 0.840 175 A CB -0.268 18.567 19.000 -0.275 0.000 0.866 175 A HN 0.484 nan 8.150 nan 0.000 0.489 176 F N -1.058 118.931 119.950 0.065 0.000 2.767 176 F HA 0.374 4.901 4.527 0.000 0.000 0.323 176 F C 0.467 176.300 175.800 0.053 0.000 1.091 176 F CA -0.681 57.354 58.000 0.058 0.000 1.192 176 F CB -0.036 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 0.423 4.763 4.340 0.000 0.000 0.268 177 L C 0.260 177.182 176.870 0.088 0.000 1.158 177 L CA -0.206 54.734 54.840 0.167 0.000 0.819 177 L CB 0.789 42.965 42.059 0.196 0.000 1.112 177 L HN 0.020 nan 8.230 nan 0.000 0.458 178 R N 1.258 121.771 120.500 0.023 0.000 2.854 178 R HA 0.685 5.025 4.340 0.000 0.000 0.271 178 R C -0.686 175.592 176.300 -0.036 0.000 0.996 178 R CA -0.943 55.152 56.100 -0.009 0.000 0.961 178 R CB 1.841 32.120 30.300 -0.035 0.000 1.182 178 R HN 0.700 nan 8.270 nan 0.000 0.479 179 A N 0.905 123.707 122.820 -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 0.808 109.545 108.800 -0.106 0.000 2.536 180 G HA2 -0.225 3.735 3.960 0.000 0.000 0.277 180 G HA3 -0.225 3.735 3.960 0.000 0.000 0.277 180 G C 0.137 174.916 174.900 -0.202 0.000 1.155 180 G CA 0.363 45.385 45.100 -0.129 0.000 0.960 180 G HN 1.004 nan 8.290 nan 0.000 0.544 181 E N 2.408 122.495 120.200 -0.189 0.000 2.265 181 E HA 0.267 4.617 4.350 0.000 0.000 0.272 181 E C -0.064 176.334 176.600 -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 -0.758 174.431 175.510 -0.534 0.000 1.179 182 N CA -0.671 51.986 53.050 -0.655 0.000 0.793 182 N CB 2.207 40.152 38.487 -0.903 0.000 1.366 182 N HN 0.287 nan 8.380 nan 0.000 0.493 183 R N 1.612 121.997 120.500 -0.191 0.000 2.538 183 R HA 0.422 4.762 4.340 0.000 0.000 0.292 183 R C -1.315 175.056 176.300 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 2.941 124.298 121.223 0.222 0.000 2.325 184 L HA 0.726 5.066 4.340 0.000 0.000 0.279 184 L C -0.073 176.886 176.870 0.147 0.000 1.054 184 L CA -0.914 54.050 54.840 0.206 0.000 0.804 184 L CB 1.811 44.018 42.059 0.247 0.000 1.200 184 L HN 0.664 nan 8.230 nan 0.000 0.436 185 A N 3.229 126.140 122.820 0.152 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 -0.961 0.000 1.170 185 A HN 0.390 nan 8.150 nan 0.000 0.458 186 V N 3.431 123.819 119.914 0.789 0.000 2.357 186 V HA 0.486 4.606 4.120 0.000 0.000 0.284 186 V C 0.113 176.708 176.094 0.834 0.000 1.018 186 V CA -0.313 62.431 62.300 0.740 0.000 0.841 186 V CB 1.345 33.425 31.823 0.429 0.000 0.991 186 V HN 0.948 nan 8.190 nan 0.000 0.437 187 M N 6.120 126.212 119.600 0.821 0.000 2.088 187 M HA 0.601 5.081 4.480 0.000 0.000 0.346 187 M C -1.437 175.118 176.300 0.424 0.000 1.111 187 M CA -0.331 55.286 55.300 0.529 0.000 1.017 187 M CB 1.289 34.241 32.600 0.588 0.000 1.568 187 M HN 0.476 nan 8.290 nan 0.000 0.445 188 V N 6.735 126.840 119.914 0.317 0.000 2.483 188 V HA 0.502 4.622 4.120 0.000 0.000 0.295 188 V C -0.208 176.037 176.094 0.251 0.000 1.035 188 V CA -0.775 61.703 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 3.087 124.401 121.223 0.153 0.000 2.334 189 L HA 0.664 5.004 4.340 0.000 0.000 0.276 189 L C 1.193 178.026 176.870 -0.062 0.000 1.014 189 L CA -0.782 54.077 54.840 0.031 0.000 0.815 189 L CB 1.567 43.541 42.059 -0.142 0.000 1.268 189 L HN 0.468 nan 8.230 nan 0.000 0.428 190 R N 1.607 121.969 120.500 -0.231 0.000 2.075 190 R HA -0.007 4.333 4.340 0.000 0.000 0.230 190 R C -0.278 175.637 176.300 -0.640 0.000 1.140 190 R CA 1.752 57.420 56.100 -0.720 0.000 0.928 190 R CB 0.064 29.590 30.300 -1.290 0.000 0.834 190 R HN 0.628 nan 8.270 nan 0.000 0.429 191 W N 0.294 121.649 121.300 0.091 0.000 2.449 191 W HA 0.319 4.979 4.660 0.000 0.000 0.331 191 W C 0.061 176.690 176.519 0.182 0.000 1.119 191 W CA -0.787 56.621 57.345 0.106 0.000 1.240 191 W CB 1.312 30.836 29.460 0.108 0.000 1.251 191 W HN 0.084 nan 8.180 nan 0.000 0.576 192 S N -1.010 114.974 115.700 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 0.563 121.212 120.400 0.414 0.000 2.218 193 D HA 0.063 4.703 4.640 0.000 0.000 0.204 193 D C 1.839 178.433 176.300 0.491 0.000 0.976 193 D CA 1.195 55.471 54.000 0.461 0.000 0.853 193 D CB -0.797 40.162 40.800 0.265 0.000 0.939 193 D HN 0.712 nan 8.370 nan 0.000 0.481 194 G N 0.097 109.109 108.800 0.352 0.000 2.462 194 G HA2 -0.301 3.659 3.960 0.000 0.000 0.220 194 G HA3 -0.301 3.659 3.960 0.000 0.000 0.220 194 G C 1.741 176.817 174.900 0.293 0.000 1.121 194 G CA 0.872 46.151 45.100 0.300 0.000 0.758 194 G HN 0.316 nan 8.290 nan 0.000 0.559 195 S N -0.110 115.754 115.700 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 0.935 59.260 58.200 0.209 0.000 1.002 195 S CB -0.424 62.898 63.200 0.203 0.000 0.829 195 S HN 0.562 nan 8.310 nan 0.000 0.467 196 Y N 1.134 121.529 120.300 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 0.620 58.739 58.100 0.032 0.000 1.289 196 Y CB -0.218 38.155 38.460 -0.145 0.000 0.983 196 Y HN 0.196 nan 8.280 nan 0.000 0.556 197 L N -0.011 121.402 121.223 0.318 0.000 2.700 197 L HA 0.121 4.461 4.340 0.000 0.000 0.234 197 L C -0.003 177.010 176.870 0.237 0.000 1.156 197 L CA 0.371 55.356 54.840 0.241 0.000 0.946 197 L CB -0.006 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 1.383 121.871 120.400 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 0.006 0.000 1.192 199 D CA -0.010 53.963 54.000 -0.044 0.000 0.835 199 D CB 0.066 40.604 40.800 -0.437 0.000 0.975 199 D HN 0.082 nan 8.370 nan 0.000 0.490 200 Q N 0.510 120.399 119.800 0.149 0.000 2.361 200 Q HA 0.070 4.410 4.340 0.000 0.000 0.276 200 Q C -0.037 176.084 176.000 0.202 0.000 1.022 200 Q CA 0.168 56.123 55.803 0.252 0.000 0.898 200 Q CB 0.558 29.580 28.738 0.473 0.000 1.246 200 Q HN 0.053 nan 8.270 nan 0.000 0.410 201 D N 3.395 123.946 120.400 0.251 0.000 2.489 201 D HA 0.137 4.777 4.640 0.000 0.000 0.237 201 D C -0.789 175.694 176.300 0.305 0.000 1.212 201 D CA 0.222 54.355 54.000 0.223 0.000 1.058 201 D CB -0.415 40.546 40.800 0.268 0.000 1.098 201 D HN 0.482 nan 8.370 nan 0.000 0.509 202 M N 0.084 119.806 119.600 0.203 0.000 3.008 202 M HA 0.453 4.933 4.480 0.000 0.000 0.271 202 M C -1.205 175.201 176.300 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 1.973 123.360 121.300 0.145 0.000 2.216 203 W HA 0.392 5.052 4.660 0.000 0.000 0.326 203 W C 0.127 176.655 176.519 0.016 0.000 1.319 203 W CA -0.277 57.135 57.345 0.111 0.000 1.213 203 W CB 0.549 30.019 29.460 0.016 0.000 1.171 203 W HN 0.255 nan 8.180 nan 0.000 0.557 204 R N 5.004 125.688 120.500 0.307 0.000 2.204 204 R HA 0.401 4.741 4.340 0.000 0.000 0.341 204 R C -0.167 176.158 176.300 0.042 0.000 1.035 204 R CA -0.192 56.008 56.100 0.167 0.000 0.887 204 R CB 0.245 30.688 30.300 0.237 0.000 1.114 204 R HN 0.578 nan 8.270 nan 0.000 0.473 205 M N 0.368 119.891 119.600 -0.128 0.000 2.655 205 M HA 0.506 4.986 4.480 0.000 0.000 0.271 205 M C -0.137 175.851 176.300 -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 -0.839 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 0.242 108.836 108.800 -0.343 0.000 2.318 207 G HA2 0.157 4.117 3.960 0.000 0.000 0.367 207 G HA3 0.157 4.117 3.960 0.000 0.000 0.367 207 G C -1.507 173.386 174.900 -0.012 0.000 1.260 207 G CA -0.543 44.582 45.100 0.041 0.000 1.055 207 G HN 1.235 nan 8.290 nan 0.000 0.484 208 I N 2.161 122.613 120.570 -0.196 0.000 2.316 208 I HA 0.307 4.477 4.170 0.000 0.000 0.286 208 I C 1.012 177.009 176.117 -0.200 0.000 1.107 208 I CA -0.309 60.769 61.300 -0.370 0.000 1.219 208 I CB -0.033 37.544 38.000 -0.706 0.000 1.455 208 I HN 0.514 nan 8.210 nan 0.000 0.498 209 F N 3.976 123.795 119.950 -0.218 0.000 2.727 209 F HA 0.427 4.954 4.527 0.000 0.000 0.302 209 F C 0.696 176.432 175.800 -0.107 0.000 1.097 209 F CA -0.527 57.377 58.000 -0.160 0.000 1.330 209 F CB 0.071 38.974 39.000 -0.161 0.000 1.084 209 F HN 0.120 nan 8.300 nan 0.000 0.578 210 R N 0.681 120.782 120.500 -0.666 0.000 2.912 210 R HA 0.260 4.600 4.340 0.000 0.000 0.262 210 R C -1.003 175.134 176.300 -0.271 0.000 1.057 210 R CA -1.158 54.701 56.100 -0.401 0.000 0.981 210 R CB 0.562 30.612 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 0.435 54.358 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 0.928 120.748 119.914 -0.157 0.000 2.540 212 V HA 0.653 4.773 4.120 0.000 0.000 0.302 212 V C -0.142 175.858 176.094 -0.156 0.000 1.035 212 V CA -0.591 61.570 62.300 -0.231 0.000 0.873 212 V CB 1.609 33.308 31.823 -0.206 0.000 0.992 212 V HN 0.752 nan 8.190 nan 0.000 0.428 213 S N 4.486 120.055 115.700 -0.219 0.000 2.625 213 S HA 0.826 5.296 4.470 0.000 0.000 0.271 213 S C -1.247 173.304 174.600 -0.081 0.000 1.161 213 S CA -0.953 57.184 58.200 -0.106 0.000 0.820 213 S CB 1.921 65.088 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 0.697 5.037 4.340 0.000 0.000 0.271 214 L C -1.590 175.390 176.870 0.183 0.000 0.993 214 L CA -0.790 54.133 54.840 0.138 0.000 0.819 214 L CB 1.868 44.097 42.059 0.283 0.000 1.294 214 L HN 0.673 nan 8.230 nan 0.000 0.414 215 L N 2.393 123.684 121.223 0.112 0.000 2.409 215 L HA 0.488 4.828 4.340 0.000 0.000 0.272 215 L C -1.057 175.717 176.870 -0.159 0.000 0.980 215 L CA -0.287 54.551 54.840 -0.003 0.000 0.826 215 L CB 1.661 43.724 42.059 0.006 0.000 1.268 215 L HN 0.486 nan 8.230 nan 0.000 0.407 216 H N 4.035 122.776 119.070 -0.548 0.000 2.556 216 H HA 0.582 5.138 4.556 0.000 0.000 0.310 216 H C -1.158 173.884 175.328 -0.478 0.000 1.057 216 H CA -0.141 55.418 56.048 -0.816 0.000 1.264 216 H CB 0.962 29.635 29.762 -1.816 0.000 1.404 216 H HN 0.617 nan 8.280 nan 0.000 0.462 217 K N 5.426 125.332 120.400 -0.823 0.000 2.435 217 K HA 0.418 4.738 4.320 0.000 0.000 0.251 217 K C -2.742 173.505 176.600 -0.589 0.000 0.954 217 K CA -2.460 53.491 56.287 -0.561 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 -0.100 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 -2.980 111.483 114.554 -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 3.403 117.883 114.554 -0.124 0.000 2.853 220 T HA 0.442 4.792 4.350 0.000 0.000 0.317 220 T C -0.338 174.270 174.700 -0.154 0.000 1.059 220 T CA -0.786 61.230 62.100 -0.140 0.000 0.954 220 T CB 0.714 69.506 68.868 -0.127 0.000 0.994 220 T HN 0.557 nan 8.240 nan 0.000 0.479 221 Q N 2.781 122.473 119.800 -0.180 0.000 2.683 221 Q HA 0.583 4.923 4.340 0.000 0.000 0.302 221 Q C -1.030 174.850 176.000 -0.200 0.000 1.042 221 Q CA -1.172 54.511 55.803 -0.199 0.000 0.773 221 Q CB 1.400 29.987 28.738 -0.253 0.000 1.508 221 Q HN 0.427 nan 8.270 nan 0.000 0.459 222 I N 2.755 123.182 120.570 -0.239 0.000 2.436 222 I HA -0.021 4.149 4.170 0.000 0.000 0.289 222 I C 0.982 176.900 176.117 -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 38.862 38.000 -0.277 0.000 1.408 222 I HN 0.832 nan 8.210 nan 0.000 0.516 223 S N 3.126 118.746 115.700 -0.133 0.000 2.503 223 S HA 0.129 4.599 4.470 0.000 0.000 0.217 223 S C 0.264 174.998 174.600 0.223 0.000 0.999 223 S CA -0.106 58.060 58.200 -0.058 0.000 0.914 223 S CB 0.240 63.426 63.200 -0.023 0.000 0.782 223 S HN 0.734 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 1.127 42.059 40.800 0.221 0.000 1.379 224 D HN 0.248 nan 8.370 nan 0.000 0.437 225 F N -0.432 119.562 119.950 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 -0.785 57.163 58.000 -0.086 0.000 0.959 225 F CB 1.410 40.419 39.000 0.016 0.000 1.305 225 F HN 0.299 nan 8.300 nan 0.000 0.443 226 H N 1.001 120.073 119.070 0.004 0.000 2.768 226 H HA 0.788 5.344 4.556 0.000 0.000 0.371 226 H C -1.367 173.949 175.328 -0.020 0.000 1.151 226 H CA -1.520 54.457 56.048 -0.119 0.000 1.165 226 H CB 2.687 32.400 29.762 -0.082 0.000 1.722 226 H HN 0.616 nan 8.280 nan 0.000 0.543 227 V N 1.165 121.126 119.914 0.078 0.000 2.815 227 V HA 0.827 4.947 4.120 0.000 0.000 0.314 227 V C -0.496 175.577 176.094 -0.035 0.000 1.064 227 V CA -0.584 61.728 62.300 0.021 0.000 0.952 227 V CB 1.681 33.495 31.823 -0.015 0.000 1.020 227 V HN 0.973 nan 8.190 nan 0.000 0.439 228 A N 1.970 124.749 122.820 -0.069 0.000 2.547 228 A HA 0.831 5.151 4.320 0.000 0.000 0.297 228 A C -0.481 177.012 177.584 -0.151 0.000 1.056 228 A CA -0.391 51.592 52.037 -0.089 0.000 0.688 228 A CB 2.034 21.006 19.000 -0.046 0.000 1.282 228 A HN 0.934 nan 8.150 nan 0.000 0.400 229 T N 0.037 114.494 114.554 -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 -0.339 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 31.826 30.300 -0.134 0.000 1.175 230 R HN 0.555 nan 8.270 nan 0.000 0.464 231 F N 0.064 120.005 119.950 -0.014 0.000 2.640 231 F HA 0.361 4.888 4.527 0.000 0.000 0.324 231 F C 0.363 176.043 175.800 -0.200 0.000 1.077 231 F CA -1.271 56.669 58.000 -0.101 0.000 0.965 231 F CB 0.849 39.710 39.000 -0.233 0.000 1.351 231 F HN 0.506 nan 8.300 nan 0.000 0.487 232 N N -0.209 118.489 118.700 -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 0.078 38.536 38.487 -0.048 0.000 1.199 232 N HN 0.647 nan 8.380 nan 0.000 0.532 233 D N -1.556 118.743 120.400 -0.170 0.000 2.265 233 D HA -0.226 4.414 4.640 0.000 0.000 0.208 233 D C 0.111 176.279 176.300 -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 -1.495 118.808 120.400 -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 0.714 120.723 119.950 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 0.801 58.881 58.000 0.133 0.000 1.162 235 F CB -2.477 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 -0.413 115.397 115.700 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 59.030 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 -0.402 120.164 120.500 0.110 0.000 2.594 237 R HA 0.645 4.985 4.340 0.000 0.000 0.265 237 R C -1.707 174.616 176.300 0.038 0.000 1.070 237 R CA -0.042 56.086 56.100 0.046 0.000 0.909 237 R CB 1.370 31.674 30.300 0.007 0.000 1.243 237 R HN 0.232 nan 8.270 nan 0.000 0.455 238 A N 2.488 125.269 122.820 -0.065 0.000 2.479 238 A HA 0.787 5.107 4.320 0.000 0.000 0.296 238 A C -1.450 176.040 177.584 -0.157 0.000 1.121 238 A CA -0.677 51.236 52.037 -0.206 0.000 0.743 238 A CB 2.226 21.073 19.000 -0.255 0.000 1.323 238 A HN 0.362 nan 8.150 nan 0.000 0.415 239 V N 1.388 121.182 119.914 -0.200 0.000 2.483 239 V HA 0.426 4.546 4.120 0.000 0.000 0.297 239 V C -1.033 175.003 176.094 -0.096 0.000 1.027 239 V CA -0.468 61.762 62.300 -0.117 0.000 0.855 239 V CB 1.355 33.112 31.823 -0.111 0.000 0.995 239 V HN 0.807 nan 8.190 nan 0.000 0.424 240 L N 5.229 126.432 121.223 -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 0.179 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 -1.792 174.795 176.600 -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 4.385 127.199 122.820 -0.010 0.000 2.331 242 A HA 0.444 4.764 4.320 0.000 0.000 0.320 242 A C -0.848 176.734 177.584 -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 2.328 122.528 120.200 0.000 0.000 2.176 243 E HA 0.575 4.925 4.350 0.000 0.000 0.267 243 E C -1.650 174.889 176.600 -0.102 0.000 0.893 243 E CA -0.409 55.944 56.400 -0.078 0.000 0.761 243 E CB 1.600 31.235 29.700 -0.108 0.000 1.133 243 E HN 0.410 nan 8.360 nan 0.000 0.409 244 V N 4.271 124.136 119.914 -0.082 0.000 2.604 244 V HA 0.362 4.482 4.120 0.000 0.000 0.305 244 V C -0.499 175.622 176.094 0.046 0.000 1.043 244 V CA -0.808 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 4.133 123.987 119.800 0.090 0.000 2.377 245 Q HA 0.824 5.164 4.340 0.000 0.000 0.271 245 Q C -0.848 175.230 176.000 0.131 0.000 1.077 245 Q CA -0.856 55.028 55.803 0.135 0.000 0.820 245 Q CB 2.846 31.595 28.738 0.018 0.000 1.347 245 Q HN 0.847 nan 8.270 nan 0.000 0.444 246 M N -0.878 118.756 119.600 0.056 0.000 2.664 246 M HA 0.762 5.242 4.480 0.000 0.000 0.314 246 M C -1.302 174.892 176.300 -0.177 0.000 1.200 246 M CA -0.428 54.790 55.300 -0.136 0.000 0.916 246 M CB 2.039 34.361 32.600 -0.462 0.000 1.717 246 M HN 0.560 nan 8.290 nan 0.000 0.470 247 C N 1.431 120.625 119.300 -0.177 0.000 2.614 247 C HA 1.023 5.483 4.460 0.000 0.000 0.320 247 C C 0.589 175.475 174.990 -0.174 0.000 1.200 247 C CA 0.894 59.822 59.018 -0.149 0.000 1.700 247 C CB 1.031 28.703 27.740 -0.114 0.000 2.275 247 C HN 1.354 nan 8.230 nan 0.000 0.492 248 G N 3.388 112.102 108.800 -0.145 0.000 2.396 248 G HA2 0.121 4.081 3.960 0.000 0.000 0.254 248 G HA3 0.121 4.081 3.960 0.000 0.000 0.254 248 G C -1.505 173.309 174.900 -0.144 0.000 1.248 248 G CA -0.292 44.726 45.100 -0.138 0.000 1.033 248 G HN 0.853 nan 8.290 nan 0.000 0.502 249 E N -0.339 119.783 120.200 -0.130 0.000 2.166 249 E HA 0.712 5.062 4.350 0.000 0.000 0.275 249 E C 0.021 176.515 176.600 -0.176 0.000 0.941 249 E CA -0.958 55.365 56.400 -0.130 0.000 0.784 249 E CB 2.002 31.655 29.700 -0.079 0.000 1.115 249 E HN 0.631 nan 8.360 nan 0.000 0.399 250 L N 3.489 124.596 121.223 -0.193 0.000 2.455 250 L HA 0.257 4.597 4.340 0.000 0.000 0.272 250 L C -0.069 176.678 176.870 -0.206 0.000 1.174 250 L CA 0.150 54.845 54.840 -0.241 0.000 0.869 250 L CB 0.227 42.164 42.059 -0.203 0.000 1.130 250 L HN 0.477 nan 8.230 nan 0.000 0.474 251 R N 2.682 122.998 120.500 -0.306 0.000 2.548 251 R HA 0.115 4.455 4.340 0.000 0.000 0.280 251 R C 0.062 176.137 176.300 -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 -0.682 0.000 1.210 251 R HN 0.713 nan 8.270 nan 0.000 0.442 252 D N 1.779 122.102 120.400 -0.129 0.000 2.393 252 D HA -0.205 4.435 4.640 0.000 0.000 0.220 252 D C 0.885 177.191 176.300 0.010 0.000 0.974 252 D CA 1.461 55.445 54.000 -0.025 0.000 0.931 252 D CB -0.052 40.785 40.800 0.061 0.000 0.889 252 D HN 0.714 nan 8.370 nan 0.000 0.512 253 Y N -0.694 119.610 120.300 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 -0.938 57.167 58.100 0.008 0.000 1.274 253 Y CB -0.320 38.146 38.460 0.010 0.000 1.097 253 Y HN -0.222 nan 8.280 nan 0.000 0.523 254 L N 2.946 123.984 121.223 -0.308 0.000 2.397 254 L HA 0.363 4.703 4.340 0.000 0.000 0.271 254 L C 0.204 177.017 176.870 -0.095 0.000 1.148 254 L CA -0.099 54.624 54.840 -0.195 0.000 0.825 254 L CB 0.609 42.561 42.059 -0.178 0.000 1.117 254 L HN 0.252 nan 8.230 nan 0.000 0.456 255 R N 2.076 122.427 120.500 -0.248 0.000 2.799 255 R HA 0.750 5.090 4.340 0.000 0.000 0.270 255 R C -1.543 174.434 176.300 -0.538 0.000 1.010 255 R CA -0.833 55.025 56.100 -0.403 0.000 0.916 255 R CB 2.388 32.416 30.300 -0.454 0.000 1.228 255 R HN 0.283 nan 8.270 nan 0.000 0.469 256 V N 0.788 120.480 119.914 -0.370 0.000 2.686 256 V HA 0.489 4.609 4.120 0.000 0.000 0.306 256 V C -0.617 175.455 176.094 -0.037 0.000 1.065 256 V CA -0.609 61.551 62.300 -0.233 0.000 0.894 256 V CB 2.421 34.032 31.823 -0.353 0.000 1.004 256 V HN 0.788 nan 8.190 nan 0.000 0.424 257 T N 3.577 118.187 114.554 0.092 0.000 2.861 257 T HA 0.721 5.071 4.350 0.000 0.000 0.287 257 T C -0.855 173.852 174.700 0.011 0.000 1.003 257 T CA -0.535 61.615 62.100 0.084 0.000 0.977 257 T CB 1.923 70.876 68.868 0.142 0.000 0.996 257 T HN 0.374 nan 8.240 nan 0.000 0.448 258 V N 3.062 122.967 119.914 -0.015 0.000 2.525 258 V HA 0.694 4.814 4.120 0.000 0.000 0.299 258 V C -0.440 175.638 176.094 -0.027 0.000 1.034 258 V CA -0.870 61.416 62.300 -0.023 0.000 0.863 258 V CB 1.869 33.668 31.823 -0.040 0.000 0.999 258 V HN 1.076 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 0.862 5.332 4.470 0.000 0.000 0.293 259 S C -1.139 173.435 174.600 -0.044 0.000 1.092 259 S CA -0.770 57.388 58.200 -0.070 0.000 0.980 259 S CB 2.385 65.579 63.200 -0.011 0.000 1.048 259 S HN 0.474 nan 8.310 nan 0.000 0.483 260 L N 2.104 123.192 121.223 -0.225 0.000 2.322 260 L HA 0.732 5.072 4.340 0.000 0.000 0.281 260 L C -1.839 174.864 176.870 -0.278 0.000 1.014 260 L CA -0.458 54.328 54.840 -0.089 0.000 0.815 260 L CB 0.797 42.829 42.059 -0.045 0.000 1.247 260 L HN 0.891 nan 8.230 nan 0.000 0.421 261 W N 3.272 124.667 121.300 0.158 0.000 2.736 261 W HA 0.574 5.234 4.660 0.000 0.000 0.335 261 W C -0.490 176.158 176.519 0.214 0.000 1.059 261 W CA -0.580 56.853 57.345 0.147 0.000 1.226 261 W CB 1.620 31.122 29.460 0.070 0.000 1.416 261 W HN 0.434 nan 8.180 nan 0.000 0.505 262 Q N 2.667 122.717 119.800 0.416 0.000 2.644 262 Q HA 0.494 4.834 4.340 0.000 0.000 0.245 262 Q C 0.683 176.773 176.000 0.151 0.000 1.064 262 Q CA 0.598 56.499 55.803 0.164 0.000 0.860 262 Q CB 0.345 29.134 28.738 0.084 0.000 1.145 262 Q HN 0.733 nan 8.270 nan 0.000 0.515 263 G N 2.327 111.208 108.800 0.135 0.000 2.595 263 G HA2 -0.366 3.594 3.960 0.000 0.000 0.297 263 G HA3 -0.366 3.594 3.960 0.000 0.000 0.297 263 G C 0.667 175.638 174.900 0.119 0.000 1.181 263 G CA 0.323 45.469 45.100 0.077 0.000 0.963 263 G HN 0.516 nan 8.290 nan 0.000 0.541 264 E N 1.560 121.833 120.200 0.122 0.000 2.385 264 E HA 0.195 4.545 4.350 0.000 0.000 0.194 264 E C 1.263 178.084 176.600 0.368 0.000 1.013 264 E CA 0.925 57.409 56.400 0.140 0.000 0.866 264 E CB -0.125 29.623 29.700 0.080 0.000 0.832 264 E HN 0.473 nan 8.360 nan 0.000 0.500 265 T N 1.360 116.128 114.554 0.357 0.000 2.806 265 T HA 0.177 4.527 4.350 0.000 0.000 0.290 265 T C 0.089 174.926 174.700 0.228 0.000 0.966 265 T CA -0.348 61.932 62.100 0.300 0.000 1.060 265 T CB 1.587 70.534 68.868 0.132 0.000 0.927 265 T HN -0.069 nan 8.240 nan 0.000 0.485 266 Q N 2.864 122.514 119.800 -0.250 0.000 2.296 266 Q HA 0.287 4.627 4.340 0.000 0.000 0.257 266 Q C 0.316 176.041 176.000 -0.459 0.000 0.942 266 Q CA -0.396 54.780 55.803 -1.044 0.000 0.939 266 Q CB 0.928 28.754 28.738 -1.519 0.000 1.198 266 Q HN 0.583 nan 8.270 nan 0.000 0.429 267 V N 2.308 121.995 119.914 -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 0.963 63.165 62.300 -0.164 0.000 1.076 267 V CB 0.099 31.916 31.823 -0.009 0.000 0.725 267 V HN 0.761 nan 8.190 nan 0.000 0.467 268 A N -1.203 121.464 122.820 -0.256 0.000 2.599 268 A HA 0.750 5.070 4.320 0.000 0.000 0.294 268 A C -0.819 176.635 177.584 -0.216 0.000 1.055 268 A CA -0.049 51.872 52.037 -0.194 0.000 0.683 268 A CB 1.738 20.661 19.000 -0.129 0.000 1.278 268 A HN 0.029 nan 8.150 nan 0.000 0.412 269 S N -1.075 114.531 115.700 -0.157 0.000 2.579 269 S HA 0.895 5.365 4.470 0.000 0.000 0.272 269 S C -0.491 174.059 174.600 -0.082 0.000 1.141 269 S CA 0.146 58.271 58.200 -0.125 0.000 0.843 269 S CB 1.964 65.086 63.200 -0.130 0.000 1.122 269 S HN 2.313 nan 8.310 nan 0.000 0.468 270 G N 1.215 109.978 108.800 -0.061 0.000 2.759 270 G HA2 0.596 4.556 3.960 0.000 0.000 0.297 270 G HA3 0.596 4.556 3.960 0.000 0.000 0.297 270 G C -1.519 173.362 174.900 -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 -0.202 114.337 114.554 -0.025 0.000 2.900 271 T HA 0.910 5.260 4.350 0.000 0.000 0.295 271 T C -0.170 174.505 174.700 -0.041 0.000 1.044 271 T CA 0.090 62.186 62.100 -0.007 0.000 0.995 271 T CB 1.869 70.767 68.868 0.050 0.000 1.072 271 T HN 1.780 nan 8.240 nan 0.000 0.473 272 A N 2.921 125.691 122.820 -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 0.655 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 0.589 32.275 31.700 -0.024 0.000 1.139 274 F N 0.827 120.727 119.950 -0.083 0.000 2.535 274 F HA 0.413 4.940 4.527 0.000 0.000 0.332 274 F C 1.622 177.401 175.800 -0.036 0.000 1.208 274 F CA 1.926 59.889 58.000 -0.062 0.000 1.330 274 F CB -0.192 38.764 39.000 -0.074 0.000 1.167 274 F HN 0.629 nan 8.300 nan 0.000 0.597 275 G N 0.952 109.877 108.800 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 -0.482 174.462 174.900 0.073 0.000 1.192 275 G CA -0.792 44.383 45.100 0.125 0.000 1.013 275 G HN 1.060 nan 8.290 nan 0.000 0.530 276 G N 0.632 109.492 108.800 0.100 0.000 2.537 276 G HA2 0.755 4.715 3.960 0.000 0.000 0.297 276 G HA3 0.755 4.715 3.960 0.000 0.000 0.297 276 G C 0.061 174.994 174.900 0.055 0.000 1.310 276 G CA -0.323 44.828 45.100 0.084 0.000 1.027 276 G HN 0.896 nan 8.290 nan 0.000 0.505 277 E N -0.817 119.412 120.200 0.049 0.000 2.349 277 E HA 0.390 4.740 4.350 0.000 0.000 0.262 277 E C -0.319 176.299 176.600 0.029 0.000 1.088 277 E CA -0.659 55.759 56.400 0.029 0.000 0.899 277 E CB 0.797 30.510 29.700 0.022 0.000 1.044 277 E HN 0.232 nan 8.360 nan 0.000 0.420 278 I N 1.692 122.269 120.570 0.011 0.000 2.710 278 I HA -0.058 4.112 4.170 0.000 0.000 0.286 278 I C 1.003 177.125 176.117 0.007 0.000 1.181 278 I CA 0.579 61.879 61.300 -0.001 0.000 1.430 278 I CB 0.148 38.144 38.000 -0.007 0.000 1.367 278 I HN 0.651 nan 8.210 nan 0.000 0.577 279 I N 1.174 121.741 120.570 -0.005 0.000 4.124 279 I HA 0.416 4.586 4.170 0.000 0.000 0.311 279 I C 0.005 176.119 176.117 -0.005 0.000 1.259 279 I CA 0.470 61.777 61.300 0.011 0.000 1.315 279 I CB 0.133 38.164 38.000 0.051 0.000 1.223 279 I HN 0.618 nan 8.210 nan 0.000 0.441 280 D N -0.545 119.838 120.400 -0.027 0.000 2.946 280 D HA 0.208 4.848 4.640 0.000 0.000 0.337 280 D C 0.484 176.766 176.300 -0.029 0.000 1.332 280 D CA -0.431 53.555 54.000 -0.024 0.000 0.935 280 D CB 0.249 41.035 40.800 -0.023 0.000 1.440 280 D HN -0.086 nan 8.370 nan 0.000 0.540 281 E N -0.825 119.360 120.200 -0.025 0.000 2.209 281 E HA -0.076 4.274 4.350 0.000 0.000 0.196 281 E C 1.590 178.171 176.600 -0.032 0.000 0.993 281 E CA 1.173 57.559 56.400 -0.024 0.000 0.819 281 E CB -0.033 29.656 29.700 -0.018 0.000 0.745 281 E HN 0.250 nan 8.360 nan 0.000 0.477 282 R N -0.467 120.005 120.500 -0.046 0.000 2.276 282 R HA 0.224 4.564 4.340 0.000 0.000 0.196 282 R C 0.880 177.137 176.300 -0.071 0.000 0.961 282 R CA 0.698 56.764 56.100 -0.057 0.000 1.024 282 R CB 0.728 30.988 30.300 -0.067 0.000 0.940 282 R HN 0.213 nan 8.270 nan 0.000 0.480 283 G N -0.498 108.258 108.800 -0.073 0.000 2.295 283 G HA2 -0.079 3.881 3.960 0.000 0.000 0.195 283 G HA3 -0.079 3.881 3.960 0.000 0.000 0.195 283 G C -0.346 174.492 174.900 -0.104 0.000 1.269 283 G CA -0.639 44.417 45.100 -0.073 0.000 1.170 283 G HN 0.401 nan 8.290 nan 0.000 0.511 284 G N -1.813 106.921 108.800 -0.110 0.000 3.209 284 G HA2 0.635 4.595 3.960 0.000 0.000 0.236 284 G HA3 0.635 4.595 3.960 0.000 0.000 0.236 284 G C -1.523 173.229 174.900 -0.247 0.000 1.329 284 G CA -0.766 44.259 45.100 -0.124 0.000 1.015 284 G HN 0.721 nan 8.290 nan 0.000 0.571 285 Y N 0.766 121.079 120.300 0.022 0.000 2.404 285 Y HA 0.450 5.000 4.550 0.000 0.000 0.344 285 Y C 1.372 177.300 175.900 0.046 0.000 0.970 285 Y CA 0.017 58.136 58.100 0.031 0.000 1.180 285 Y CB 1.878 40.362 38.460 0.041 0.000 1.138 285 Y HN 0.525 nan 8.280 nan 0.000 0.510 286 A N 1.849 124.750 122.820 0.134 0.000 1.968 286 A HA -0.138 4.182 4.320 0.000 0.000 0.217 286 A C 1.280 178.952 177.584 0.147 0.000 1.169 286 A CA 1.495 53.594 52.037 0.102 0.000 0.638 286 A CB -0.237 18.780 19.000 0.029 0.000 0.812 286 A HN 0.788 nan 8.150 nan 0.000 0.446 287 D N -0.524 119.963 120.400 0.144 0.000 2.491 287 D HA 0.166 4.806 4.640 0.000 0.000 0.228 287 D C 0.332 176.810 176.300 0.296 0.000 1.183 287 D CA -0.130 53.895 54.000 0.042 0.000 0.827 287 D CB -0.111 40.658 40.800 -0.051 0.000 0.989 287 D HN 0.424 nan 8.370 nan 0.000 0.494 288 R N -0.953 119.818 120.500 0.452 0.000 2.799 288 R HA 0.765 5.105 4.340 0.000 0.000 0.270 288 R C -1.558 174.847 176.300 0.174 0.000 1.010 288 R CA -1.228 55.069 56.100 0.328 0.000 0.916 288 R CB 2.817 33.167 30.300 0.083 0.000 1.228 288 R HN -0.014 nan 8.270 nan 0.000 0.469 289 V N 0.159 120.032 119.914 -0.068 0.000 3.000 289 V HA 0.500 4.620 4.120 0.000 0.000 0.300 289 V C -1.611 174.392 176.094 -0.152 0.000 1.251 289 V CA -0.249 61.937 62.300 -0.189 0.000 0.972 289 V CB 2.715 34.258 31.823 -0.466 0.000 1.065 289 V HN 0.833 nan 8.190 nan 0.000 0.431 290 T N 7.313 121.803 114.554 -0.105 0.000 2.812 290 T HA 0.750 5.100 4.350 0.000 0.000 0.282 290 T C -0.970 173.683 174.700 -0.078 0.000 0.990 290 T CA -0.268 61.785 62.100 -0.079 0.000 0.960 290 T CB 1.185 70.027 68.868 -0.043 0.000 0.948 290 T HN 0.492 nan 8.240 nan 0.000 0.438 291 L N 2.925 124.104 121.223 -0.074 0.000 2.330 291 L HA 0.647 4.987 4.340 0.000 0.000 0.271 291 L C 0.405 177.244 176.870 -0.051 0.000 1.013 291 L CA -0.684 54.116 54.840 -0.067 0.000 0.816 291 L CB 1.231 43.246 42.059 -0.074 0.000 1.287 291 L HN 0.415 nan 8.230 nan 0.000 0.435 292 R N 2.832 123.302 120.500 -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 55.454 56.100 -0.048 0.000 0.865 292 R CB 1.462 31.735 30.300 -0.046 0.000 1.174 292 R HN 0.477 nan 8.270 nan 0.000 0.455 293 L N 2.616 123.810 121.223 -0.049 0.000 2.307 293 L HA 0.460 4.800 4.340 0.000 0.000 0.284 293 L C 0.055 176.893 176.870 -0.053 0.000 1.023 293 L CA -0.945 53.864 54.840 -0.051 0.000 0.810 293 L CB 1.495 43.523 42.059 -0.051 0.000 1.231 293 L HN 0.467 nan 8.230 nan 0.000 0.423 294 N N 1.924 120.587 118.700 -0.061 0.000 2.498 294 N HA 0.471 5.211 4.740 0.000 0.000 0.287 294 N C -1.004 174.454 175.510 -0.087 0.000 1.097 294 N CA -0.314 52.695 53.050 -0.068 0.000 0.973 294 N CB 2.848 41.299 38.487 -0.061 0.000 1.153 294 N HN 0.219 nan 8.380 nan 0.000 0.472 295 V N 2.021 121.867 119.914 -0.112 0.000 2.569 295 V HA 0.192 4.312 4.120 0.000 0.000 0.301 295 V C -0.134 175.874 176.094 -0.142 0.000 1.044 295 V CA -0.843 61.357 62.300 -0.167 0.000 0.874 295 V CB 2.061 33.690 31.823 -0.323 0.000 1.002 295 V HN 0.535 nan 8.190 nan 0.000 0.424 296 E N 3.702 123.843 120.200 -0.099 0.000 2.301 296 E HA 0.281 4.631 4.350 0.000 0.000 0.275 296 E C -0.090 176.479 176.600 -0.050 0.000 1.030 296 E CA -0.393 55.973 56.400 -0.057 0.000 0.852 296 E CB 0.662 30.341 29.700 -0.035 0.000 1.060 296 E HN 0.711 nan 8.360 nan 0.000 0.401 297 N N 1.344 120.037 118.700 -0.012 0.000 2.689 297 N HA -0.131 4.609 4.740 0.000 0.000 0.263 297 N C -2.386 173.120 175.510 -0.008 0.000 0.987 297 N CA 0.359 53.418 53.050 0.015 0.000 0.782 297 N CB -1.363 37.137 38.487 0.022 0.000 0.903 297 N HN 0.318 nan 8.380 nan 0.000 0.547 298 P HA 0.130 nan 4.420 nan 0.000 0.272 298 P C 0.100 177.415 177.300 0.026 0.000 1.230 298 P CA 0.163 63.152 63.100 -0.184 0.000 0.788 298 P CB 0.854 32.192 31.700 -0.603 0.000 0.949 299 K N 1.343 121.840 120.400 0.162 0.000 2.234 299 K HA 0.393 4.713 4.320 0.000 0.000 0.277 299 K C -0.156 176.612 176.600 0.278 0.000 1.038 299 K CA -0.540 55.854 56.287 0.178 0.000 0.888 299 K CB 0.492 33.064 32.500 0.120 0.000 1.091 299 K HN 0.382 nan 8.250 nan 0.000 0.467 300 L N 2.378 123.688 121.223 0.146 0.000 2.395 300 L HA 0.338 4.678 4.340 0.000 0.000 0.269 300 L C -0.114 176.841 176.870 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 2.889 124.226 121.300 0.062 0.000 2.376 301 W HA 0.497 5.157 4.660 0.000 0.000 0.322 301 W C -0.299 176.172 176.519 -0.079 0.000 1.160 301 W CA 0.127 57.486 57.345 0.024 0.000 1.218 301 W CB 1.269 30.790 29.460 0.102 0.000 1.205 301 W HN 0.609 nan 8.180 nan 0.000 0.559 302 S N 2.793 117.850 115.700 -1.071 0.000 2.588 302 S HA 0.611 5.081 4.470 0.000 0.000 0.269 302 S C 0.029 173.813 174.600 -1.359 0.000 1.157 302 S CA -0.439 57.240 58.200 -0.869 0.000 0.824 302 S CB 1.262 64.202 63.200 -0.433 0.000 1.126 302 S HN 0.814 nan 8.310 nan 0.000 0.464 303 A N 0.342 122.571 122.820 -0.985 0.000 2.066 303 A HA 0.043 4.363 4.320 0.000 0.000 0.218 303 A C 1.686 178.926 177.584 -0.574 0.000 1.157 303 A CA 1.268 52.693 52.037 -1.021 0.000 0.670 303 A CB -0.778 17.384 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 0.020 29.746 29.700 0.042 0.000 0.750 304 E HN 0.605 nan 8.360 nan 0.000 0.458 305 I N 0.948 121.311 120.570 -0.346 0.000 2.588 305 I HA 0.140 4.310 4.170 0.000 0.000 0.278 305 I C -2.623 173.224 176.117 -0.450 0.000 1.144 305 I CA -1.853 59.268 61.300 -0.298 0.000 1.074 305 I CB 2.152 40.037 38.000 -0.192 0.000 1.235 305 I HN -0.234 nan 8.210 nan 0.000 0.472 306 P HA 0.063 nan 4.420 nan 0.000 0.231 306 P C -0.496 176.795 177.300 -0.015 0.000 1.756 306 P CA -0.096 62.681 63.100 -0.538 0.000 0.990 306 P CB -0.373 31.231 31.700 -0.161 0.000 1.973 307 N N 1.779 120.490 118.700 0.018 0.000 2.468 307 N HA 0.128 4.868 4.740 0.000 0.000 0.265 307 N C 0.078 175.805 175.510 0.362 0.000 1.199 307 N CA 0.374 53.508 53.050 0.141 0.000 0.928 307 N CB 0.618 39.171 38.487 0.109 0.000 1.059 307 N HN 0.266 nan 8.380 nan 0.000 0.467 308 L N 2.370 123.715 121.223 0.205 0.000 2.319 308 L HA 0.525 4.865 4.340 0.000 0.000 0.267 308 L C -0.804 176.142 176.870 0.127 0.000 1.011 308 L CA -0.880 54.111 54.840 0.252 0.000 0.818 308 L CB 1.165 43.346 42.059 0.204 0.000 1.316 308 L HN 0.400 nan 8.230 nan 0.000 0.432 309 Y N -0.026 120.403 120.300 0.215 0.000 2.576 309 Y HA 0.567 5.117 4.550 0.000 0.000 0.346 309 Y C -0.337 175.671 175.900 0.179 0.000 1.018 309 Y CA -0.809 57.425 58.100 0.223 0.000 1.050 309 Y CB 2.094 40.740 38.460 0.310 0.000 1.280 309 Y HN 0.385 nan 8.280 nan 0.000 0.474 310 R N 1.244 121.980 120.500 0.394 0.000 2.445 310 R HA 0.869 5.209 4.340 0.000 0.000 0.308 310 R C -1.498 174.994 176.300 0.321 0.000 0.961 310 R CA -0.666 55.600 56.100 0.278 0.000 0.862 310 R CB 1.110 31.500 30.300 0.149 0.000 1.144 310 R HN 0.804 nan 8.270 nan 0.000 0.447 311 A N 3.802 126.753 122.820 0.218 0.000 2.331 311 A HA 0.588 4.908 4.320 0.000 0.000 0.320 311 A C -1.112 176.546 177.584 0.124 0.000 1.138 311 A CA -0.657 51.495 52.037 0.192 0.000 0.790 311 A CB 1.509 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 -0.374 175.706 176.094 -0.023 0.000 1.025 312 V CA -0.692 61.628 62.300 0.034 0.000 0.859 312 V CB 1.398 33.247 31.823 0.044 0.000 0.988 312 V HN 0.582 nan 8.190 nan 0.000 0.431 313 V N 5.008 124.850 119.914 -0.120 0.000 2.334 313 V HA 0.439 4.559 4.120 0.000 0.000 0.281 313 V C -0.035 176.001 176.094 -0.096 0.000 1.016 313 V CA -0.479 61.719 62.300 -0.169 0.000 0.832 313 V CB 1.146 32.721 31.823 -0.414 0.000 0.999 313 V HN 1.046 nan 8.190 nan 0.000 0.439 314 E N 5.058 125.251 120.200 -0.013 0.000 2.176 314 E HA 0.576 4.926 4.350 0.000 0.000 0.267 314 E C -1.112 175.576 176.600 0.147 0.000 0.893 314 E CA -1.070 55.372 56.400 0.070 0.000 0.761 314 E CB 2.791 32.547 29.700 0.093 0.000 1.133 314 E HN 0.411 nan 8.360 nan 0.000 0.409 315 L N 5.314 126.593 121.223 0.093 0.000 2.255 315 L HA 0.285 4.625 4.340 0.000 0.000 0.289 315 L C -0.686 176.247 176.870 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 0.699 nan 8.230 nan 0.000 0.427 316 H N 1.205 120.294 119.070 0.032 0.000 2.942 316 H HA 0.617 5.173 4.556 0.000 0.000 0.316 316 H C -0.966 174.404 175.328 0.071 0.000 1.323 316 H CA -0.342 55.732 56.048 0.044 0.000 1.144 316 H CB 0.987 30.770 29.762 0.035 0.000 1.866 316 H HN 0.474 nan 8.280 nan 0.000 0.545 317 T N -2.823 111.867 114.554 0.227 0.000 2.927 317 T HA 0.526 4.876 4.350 0.000 0.000 0.281 317 T C 1.439 176.317 174.700 0.295 0.000 0.998 317 T CA -0.196 62.048 62.100 0.240 0.000 1.019 317 T CB 1.389 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 1.007 123.971 122.820 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 0.166 0.000 1.164 318 A CA 1.977 54.130 52.037 0.194 0.000 0.643 318 A CB -1.282 17.814 19.000 0.160 0.000 0.806 318 A HN 1.035 nan 8.150 nan 0.000 0.451 319 D N -2.970 117.515 120.400 0.142 0.000 2.269 319 D HA 0.268 4.908 4.640 0.000 0.000 0.208 319 D C 1.254 177.603 176.300 0.081 0.000 0.963 319 D CA 1.358 55.409 54.000 0.084 0.000 0.864 319 D CB -0.145 40.683 40.800 0.047 0.000 0.936 319 D HN 0.669 nan 8.370 nan 0.000 0.505 320 G N -1.269 107.606 108.800 0.125 0.000 2.367 320 G HA2 -0.199 3.761 3.960 0.000 0.000 0.181 320 G HA3 -0.199 3.761 3.960 0.000 0.000 0.181 320 G C 0.329 175.261 174.900 0.054 0.000 1.000 320 G CA -0.042 45.090 45.100 0.052 0.000 0.693 320 G HN 0.329 nan 8.290 nan 0.000 0.480 321 T N 2.140 116.755 114.554 0.101 0.000 2.817 321 T HA 0.405 4.755 4.350 0.000 0.000 0.295 321 T C 0.507 175.290 174.700 0.138 0.000 0.958 321 T CA 0.154 62.310 62.100 0.094 0.000 1.157 321 T CB 1.067 69.988 68.868 0.088 0.000 0.898 321 T HN 0.483 nan 8.240 nan 0.000 0.536 322 L N 4.861 126.142 121.223 0.097 0.000 2.367 322 L HA 0.255 4.595 4.340 0.000 0.000 0.275 322 L C 0.619 177.548 176.870 0.099 0.000 1.129 322 L CA -0.463 54.448 54.840 0.118 0.000 0.839 322 L CB 0.463 42.562 42.059 0.066 0.000 1.133 322 L HN 0.578 nan 8.230 nan 0.000 0.453 323 I N 3.320 123.949 120.570 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 -0.176 37.838 38.000 0.022 0.000 1.111 323 I HN 0.801 nan 8.210 nan 0.000 0.431 324 E N -0.594 119.625 120.200 0.032 0.000 2.421 324 E HA 0.675 5.025 4.350 0.000 0.000 0.278 324 E C -1.674 174.950 176.600 0.040 0.000 1.141 324 E CA -1.035 55.381 56.400 0.027 0.000 0.880 324 E CB 0.981 30.662 29.700 -0.031 0.000 1.381 324 E HN -0.073 nan 8.360 nan 0.000 0.436 325 A N 0.926 123.796 122.820 0.084 0.000 2.539 325 A HA 0.738 5.058 4.320 0.000 0.000 0.296 325 A C -1.256 176.452 177.584 0.208 0.000 1.073 325 A CA -0.687 51.407 52.037 0.094 0.000 0.700 325 A CB 1.911 20.955 19.000 0.072 0.000 1.296 325 A HN 0.515 nan 8.150 nan 0.000 0.405 326 E N -0.450 119.804 120.200 0.090 0.000 2.393 326 E HA 0.766 5.116 4.350 0.000 0.000 0.273 326 E C -0.631 175.993 176.600 0.040 0.000 0.918 326 E CA -0.621 55.902 56.400 0.205 0.000 0.773 326 E CB 2.510 32.278 29.700 0.113 0.000 1.275 326 E HN 1.163 nan 8.360 nan 0.000 0.451 327 A N 0.179 123.135 122.820 0.227 0.000 2.588 327 A HA 0.859 5.179 4.320 0.000 0.000 0.290 327 A C -1.115 176.648 177.584 0.299 0.000 1.136 327 A CA -0.393 51.711 52.037 0.112 0.000 0.681 327 A CB 1.194 20.131 19.000 -0.105 0.000 1.282 327 A HN 0.935 nan 8.150 nan 0.000 0.421 328 C N -0.815 118.621 119.300 0.226 0.000 3.292 328 C HA 0.728 5.188 4.460 0.000 0.000 0.338 328 C C -1.543 173.533 174.990 0.144 0.000 1.323 328 C CA -0.987 58.157 59.018 0.211 0.000 1.232 328 C CB 0.888 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 0.827 121.290 120.400 0.105 0.000 2.264 329 D HA 0.573 5.213 4.640 0.000 0.000 0.249 329 D C -0.508 175.829 176.300 0.061 0.000 1.070 329 D CA 0.155 54.217 54.000 0.103 0.000 0.912 329 D CB 2.081 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 0.694 120.672 119.914 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 2.196 34.017 31.823 -0.004 0.000 0.999 330 V HN 0.645 nan 8.190 nan 0.000 0.426 331 G N 2.763 111.489 108.800 -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 44.702 45.100 0.001 0.000 0.944 331 G HN 0.410 nan 8.290 nan 0.000 0.489 332 F N 2.259 122.391 119.950 0.303 0.000 2.404 332 F HA 0.560 5.087 4.527 0.000 0.000 0.359 332 F C 0.919 176.959 175.800 0.400 0.000 1.134 332 F CA -0.300 57.933 58.000 0.388 0.000 1.160 332 F CB 1.105 40.353 39.000 0.412 0.000 1.186 332 F HN 0.552 nan 8.300 nan 0.000 0.526 333 R N 1.214 122.015 120.500 0.501 0.000 2.634 333 R HA 0.461 4.801 4.340 0.000 0.000 0.263 333 R C -1.761 174.685 176.300 0.244 0.000 1.060 333 R CA -1.073 55.172 56.100 0.241 0.000 0.898 333 R CB 1.423 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 2.102 122.347 120.200 0.074 0.000 2.199 334 E HA 0.475 4.825 4.350 0.000 0.000 0.265 334 E C -1.289 175.366 176.600 0.093 0.000 0.882 334 E CA -1.019 55.478 56.400 0.162 0.000 0.759 334 E CB 2.021 31.852 29.700 0.218 0.000 1.148 334 E HN 0.430 nan 8.360 nan 0.000 0.412 335 V N 5.484 125.451 119.914 0.090 0.000 2.417 335 V HA 0.585 4.705 4.120 0.000 0.000 0.291 335 V C -0.183 175.943 176.094 0.054 0.000 1.024 335 V CA -0.558 61.769 62.300 0.045 0.000 0.861 335 V CB 1.263 33.094 31.823 0.013 0.000 0.985 335 V HN 0.752 nan 8.190 nan 0.000 0.436 336 R N 4.458 124.986 120.500 0.046 0.000 2.692 336 R HA 0.688 5.028 4.340 0.000 0.000 0.269 336 R C -2.105 174.215 176.300 0.034 0.000 1.030 336 R CA -0.863 55.267 56.100 0.050 0.000 0.882 336 R CB 1.740 32.083 30.300 0.072 0.000 1.250 336 R HN 0.532 nan 8.270 nan 0.000 0.465 337 I N 1.836 122.428 120.570 0.035 0.000 2.330 337 I HA 0.329 4.499 4.170 0.000 0.000 0.289 337 I C -0.558 175.577 176.117 0.031 0.000 1.001 337 I CA -0.356 60.960 61.300 0.027 0.000 1.193 337 I CB 1.698 39.716 38.000 0.029 0.000 1.345 337 I HN 0.668 nan 8.210 nan 0.000 0.461 338 E N 6.265 126.480 120.200 0.024 0.000 2.263 338 E HA 0.222 4.572 4.350 0.000 0.000 0.268 338 E C -0.387 176.223 176.600 0.018 0.000 0.884 338 E CA -0.626 55.789 56.400 0.026 0.000 0.766 338 E CB 1.048 30.768 29.700 0.034 0.000 1.196 338 E HN 0.549 nan 8.360 nan 0.000 0.416 339 N N 3.441 122.152 118.700 0.018 0.000 2.725 339 N HA -0.233 4.507 4.740 0.000 0.000 0.251 339 N C 0.427 175.942 175.510 0.007 0.000 1.031 339 N CA 1.960 55.018 53.050 0.013 0.000 0.720 339 N CB -1.236 37.258 38.487 0.011 0.000 0.930 339 N HN 0.973 nan 8.380 nan 0.000 0.543 340 G N -1.983 106.822 108.800 0.007 0.000 2.179 340 G HA2 -0.283 3.677 3.960 0.000 0.000 0.260 340 G HA3 -0.283 3.677 3.960 0.000 0.000 0.260 340 G C -0.028 174.866 174.900 -0.010 0.000 0.977 340 G CA 0.624 45.724 45.100 0.001 0.000 0.641 340 G HN 0.520 nan 8.290 nan 0.000 0.533 341 L N -0.167 121.051 121.223 -0.008 0.000 2.354 341 L HA 0.747 5.087 4.340 0.000 0.000 0.269 341 L C -0.102 176.757 176.870 -0.018 0.000 1.005 341 L CA -1.361 53.467 54.840 -0.021 0.000 0.819 341 L CB 1.898 43.944 42.059 -0.022 0.000 1.311 341 L HN 0.077 nan 8.230 nan 0.000 0.423 342 L N 3.736 124.937 121.223 -0.038 0.000 2.260 342 L HA 0.515 4.855 4.340 0.000 0.000 0.289 342 L C -0.863 175.982 176.870 -0.043 0.000 1.057 342 L CA 0.296 55.112 54.840 -0.039 0.000 0.811 342 L CB 0.481 42.504 42.059 -0.061 0.000 1.184 342 L HN 0.378 nan 8.230 nan 0.000 0.429 343 L N 5.670 126.883 121.223 -0.017 0.000 2.333 343 L HA 0.612 4.952 4.340 0.000 0.000 0.269 343 L C -0.870 176.001 176.870 0.001 0.000 1.010 343 L CA -0.843 53.995 54.840 -0.004 0.000 0.818 343 L CB 1.994 44.071 42.059 0.031 0.000 1.306 343 L HN 0.558 nan 8.230 nan 0.000 0.430 344 L N 2.689 123.923 121.223 0.019 0.000 2.376 344 L HA 0.495 4.835 4.340 0.000 0.000 0.275 344 L C -0.475 176.426 176.870 0.052 0.000 0.987 344 L CA -0.234 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 -0.227 4.513 4.740 0.000 0.000 0.250 345 N C 0.895 176.163 175.510 -0.403 0.000 1.033 345 N CA 1.412 54.134 53.050 -0.547 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 -0.024 0.000 2.225 346 G HA2 -0.346 3.614 3.960 0.000 0.000 0.254 346 G HA3 -0.346 3.614 3.960 0.000 0.000 0.254 346 G C -0.058 174.880 174.900 0.063 0.000 0.988 346 G CA 0.840 46.005 45.100 0.109 0.000 0.625 346 G HN 0.501 nan 8.290 nan 0.000 0.527 347 K N 1.000 121.430 120.400 0.050 0.000 2.208 347 K HA 0.547 4.867 4.320 0.000 0.000 0.247 347 K C -3.019 173.562 176.600 -0.032 0.000 0.953 347 K CA -2.111 54.163 56.287 -0.021 0.000 0.837 347 K CB 2.674 35.084 32.500 -0.150 0.000 1.131 347 K HN 0.048 nan 8.250 nan 0.000 0.431 348 P HA 0.216 nan 4.420 nan 0.000 0.282 348 P C -0.250 176.989 177.300 -0.101 0.000 1.274 348 P CA -0.174 62.883 63.100 -0.072 0.000 0.770 348 P CB 0.551 32.210 31.700 -0.069 0.000 0.867 349 L N 3.413 124.571 121.223 -0.109 0.000 2.456 349 L HA 0.421 4.761 4.340 0.000 0.000 0.257 349 L C 0.433 177.220 176.870 -0.139 0.000 1.162 349 L CA -0.803 53.961 54.840 -0.128 0.000 0.808 349 L CB 0.566 42.517 42.059 -0.181 0.000 1.136 349 L HN 0.236 nan 8.230 nan 0.000 0.466 350 L N 2.778 123.930 121.223 -0.117 0.000 2.471 350 L HA 0.414 4.754 4.340 0.000 0.000 0.263 350 L C -0.707 176.103 176.870 -0.099 0.000 0.985 350 L CA -0.198 54.557 54.840 -0.141 0.000 0.868 350 L CB 1.000 43.002 42.059 -0.094 0.000 1.203 350 L HN 0.217 nan 8.230 nan 0.000 0.429 351 I N 4.518 124.966 120.570 -0.203 0.000 2.436 351 I HA 0.214 4.385 4.170 0.000 0.000 0.289 351 I C 0.564 176.608 176.117 -0.122 0.000 1.083 351 I CA 0.126 61.312 61.300 -0.189 0.000 1.372 351 I CB 0.528 38.292 38.000 -0.393 0.000 1.408 351 I HN 0.553 nan 8.210 nan 0.000 0.516 352 R N 4.744 125.250 120.500 0.010 0.000 3.070 352 R HA 0.448 4.788 4.340 0.000 0.000 0.252 352 R C 0.544 176.917 176.300 0.123 0.000 1.370 352 R CA -0.262 55.868 56.100 0.050 0.000 1.482 352 R CB 0.753 30.950 30.300 -0.172 0.000 1.220 352 R HN 0.774 nan 8.270 nan 0.000 0.622 353 G N 0.076 108.898 108.800 0.036 0.000 2.509 353 G HA2 0.592 4.552 3.960 0.000 0.000 0.328 353 G HA3 0.592 4.552 3.960 0.000 0.000 0.328 353 G C -1.265 173.925 174.900 0.482 0.000 1.194 353 G CA -0.482 44.647 45.100 0.048 0.000 0.967 353 G HN 0.229 nan 8.290 nan 0.000 0.488 354 V N 0.228 120.465 119.914 0.538 0.000 3.012 354 V HA 0.462 4.582 4.120 0.000 0.000 0.307 354 V C -1.168 175.070 176.094 0.240 0.000 1.166 354 V CA -1.197 61.293 62.300 0.316 0.000 0.974 354 V CB 2.241 33.970 31.823 -0.158 0.000 1.040 354 V HN 0.783 nan 8.190 nan 0.000 0.428 355 N N 4.277 123.026 118.700 0.082 0.000 2.518 355 N HA 0.518 5.258 4.740 0.000 0.000 0.283 355 N C -0.798 174.501 175.510 -0.352 0.000 1.119 355 N CA -0.422 52.533 53.050 -0.159 0.000 0.983 355 N CB 1.754 40.133 38.487 -0.180 0.000 1.139 355 N HN 0.670 nan 8.380 nan 0.000 0.465 356 R N 1.690 121.945 120.500 -0.408 0.000 2.533 356 R HA 0.251 4.591 4.340 0.000 0.000 0.288 356 R C -1.191 174.861 176.300 -0.415 0.000 1.039 356 R CA -0.557 55.317 56.100 -0.377 0.000 0.909 356 R CB 1.090 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 2.002 120.918 119.070 -0.257 0.000 2.495 357 H HA 0.171 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 1.655 122.036 120.200 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 56.498 56.400 0.151 0.000 0.847 358 E CB 0.149 29.945 29.700 0.160 0.000 1.083 358 E HN 0.398 nan 8.360 nan 0.000 0.402 359 H N 1.603 120.711 119.070 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 0.052 0.000 1.253 359 H CB 1.027 30.809 29.762 0.035 0.000 1.757 359 H HN 0.362 nan 8.280 nan 0.000 0.523 360 H N 6.532 125.279 119.070 -0.537 0.000 2.744 360 H HA 0.196 4.752 4.556 0.000 0.000 0.339 360 H C -2.215 172.700 175.328 -0.689 0.000 1.004 360 H CA -2.442 53.337 56.048 -0.448 0.000 1.257 360 H CB 2.438 32.056 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 1.393 178.581 177.300 -0.187 0.000 1.150 361 P CA 1.020 63.932 63.100 -0.314 0.000 0.843 361 P CB 0.797 32.339 31.700 -0.263 0.000 0.787 362 L N -2.012 119.231 121.223 0.033 0.000 2.262 362 L HA 0.051 4.391 4.340 0.000 0.000 0.197 362 L C 2.444 179.226 176.870 -0.147 0.000 1.073 362 L CA 0.847 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 -0.485 118.509 119.070 -0.126 0.000 2.547 363 H HA 0.161 4.717 4.556 0.000 0.000 0.266 363 H C 1.449 176.643 175.328 -0.223 0.000 0.988 363 H CA 0.078 55.958 56.048 -0.280 0.000 1.147 363 H CB 0.240 29.713 29.762 -0.483 0.000 1.365 363 H HN 0.471 nan 8.280 nan 0.000 0.589 364 G N 1.551 110.253 108.800 -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 0.580 175.370 174.900 -0.183 0.000 1.153 364 G CA 0.349 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 0.079 119.784 119.800 -0.158 0.000 2.247 365 Q HA 0.444 4.784 4.340 0.000 0.000 0.205 365 Q C 0.304 176.325 176.000 0.034 0.000 0.896 365 Q CA -0.036 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 0.126 176.259 176.094 0.065 0.000 1.043 366 V CA -0.256 62.097 62.300 0.087 0.000 0.925 366 V CB 1.001 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 -0.446 175.810 176.300 -0.072 0.000 1.186 367 M CA -0.601 54.696 55.300 -0.005 0.000 1.008 367 M CB 1.455 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 -0.692 53.279 54.000 -0.049 0.000 0.807 368 D CB 1.294 42.100 40.800 0.010 0.000 1.514 368 D HN 0.665 nan 8.370 nan 0.000 0.444 369 E N 0.117 120.322 120.200 0.008 0.000 2.086 369 E HA -0.410 3.940 4.350 0.000 0.000 0.205 369 E C 1.628 178.282 176.600 0.091 0.000 1.027 369 E CA 1.844 58.282 56.400 0.064 0.000 0.830 369 E CB 0.063 29.814 29.700 0.085 0.000 0.751 369 E HN 0.570 nan 8.360 nan 0.000 0.456 370 Q N -0.330 119.522 119.800 0.087 0.000 2.062 370 Q HA -0.200 4.140 4.340 0.000 0.000 0.209 370 Q C 2.217 178.280 176.000 0.106 0.000 0.996 370 Q CA 2.509 58.370 55.803 0.097 0.000 0.859 370 Q CB -0.335 28.460 28.738 0.095 0.000 0.920 370 Q HN 0.375 nan 8.270 nan 0.000 0.415 371 T N 1.162 115.787 114.554 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 1.636 63.814 62.100 0.130 0.000 1.150 371 T CB -0.246 68.714 68.868 0.155 0.000 0.864 371 T HN 0.299 nan 8.240 nan 0.000 0.427 372 M N 0.712 120.393 119.600 0.134 0.000 2.113 372 M HA -0.181 4.299 4.480 0.000 0.000 0.255 372 M C 2.451 178.879 176.300 0.215 0.000 1.073 372 M CA 1.682 57.124 55.300 0.238 0.000 1.091 372 M CB -0.922 31.846 32.600 0.281 0.000 1.309 372 M HN 0.125 nan 8.290 nan 0.000 0.407 373 V N -0.133 119.854 119.914 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 2.053 64.358 62.300 0.009 0.000 1.038 373 V CB -0.966 30.884 31.823 0.045 0.000 0.651 373 V HN 0.552 nan 8.190 nan 0.000 0.450 374 Q N -0.194 119.647 119.800 0.068 0.000 2.045 374 Q HA -0.288 4.052 4.340 0.000 0.000 0.206 374 Q C 2.115 178.192 176.000 0.128 0.000 0.991 374 Q CA 2.279 58.136 55.803 0.090 0.000 0.851 374 Q CB -0.178 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 0.246 120.749 120.400 0.172 0.000 2.116 375 D HA -0.189 4.451 4.640 0.000 0.000 0.193 375 D C 1.884 178.178 176.300 -0.010 0.000 0.998 375 D CA 1.218 55.342 54.000 0.206 0.000 0.836 375 D CB -0.312 40.583 40.800 0.158 0.000 0.951 375 D HN 0.336 nan 8.370 nan 0.000 0.449 376 I N 0.641 121.180 120.570 -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 0.711 61.884 61.300 -0.211 0.000 1.347 376 I CB -0.208 37.572 38.000 -0.367 0.000 1.044 376 I HN 0.061 nan 8.210 nan 0.000 0.408 377 L N 0.212 121.362 121.223 -0.122 0.000 2.012 377 L HA -0.262 4.078 4.340 0.000 0.000 0.210 377 L C 2.643 179.583 176.870 0.117 0.000 1.073 377 L CA 1.729 56.571 54.840 0.003 0.000 0.748 377 L CB -0.820 41.254 42.059 0.025 0.000 0.891 377 L HN 0.341 nan 8.230 nan 0.000 0.431 378 L N -0.859 120.461 121.223 0.162 0.000 1.989 378 L HA -0.299 4.041 4.340 0.000 0.000 0.211 378 L C 2.808 179.852 176.870 0.289 0.000 1.071 378 L CA 1.576 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 -0.621 119.015 119.600 0.060 0.000 2.073 379 M HA -0.280 4.200 4.480 0.000 0.000 0.258 379 M C 2.348 178.726 176.300 0.131 0.000 1.070 379 M CA 1.876 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 0.199 120.574 120.400 -0.042 0.000 2.063 380 K HA -0.212 4.108 4.320 0.000 0.000 0.208 380 K C 1.903 178.474 176.600 -0.048 0.000 1.048 380 K CA 1.596 57.749 56.287 -0.222 0.000 0.928 380 K CB -0.327 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 0.114 120.050 119.800 0.226 0.000 2.291 381 Q HA -0.035 4.305 4.340 0.000 0.000 0.205 381 Q C 0.992 177.269 176.000 0.463 0.000 0.970 381 Q CA 0.626 56.683 55.803 0.423 0.000 0.876 381 Q CB 0.070 29.038 28.738 0.385 0.000 0.935 381 Q HN 0.287 nan 8.270 nan 0.000 0.455 382 N N 0.680 119.623 118.700 0.404 0.000 2.251 382 N HA 0.039 4.779 4.740 0.000 0.000 0.217 382 N C -0.536 175.109 175.510 0.224 0.000 1.124 382 N CA 0.073 53.362 53.050 0.399 0.000 0.843 382 N CB 0.647 39.443 38.487 0.514 0.000 1.024 382 N HN 0.176 nan 8.380 nan 0.000 0.501 383 N N -0.133 118.689 118.700 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 -0.146 0.000 1.079 383 N CA 0.630 53.718 53.050 0.064 0.000 0.800 383 N CB -1.798 36.627 38.487 -0.104 0.000 1.124 383 N HN 0.213 nan 8.380 nan 0.000 0.557 384 F N 1.338 121.299 119.950 0.018 0.000 2.371 384 F HA 0.338 4.865 4.527 0.000 0.000 0.329 384 F C 1.833 177.619 175.800 -0.024 0.000 1.107 384 F CA -0.308 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 0.418 119.237 118.700 0.198 0.000 2.118 385 N HA 0.406 5.146 4.740 0.000 0.000 0.226 385 N C -0.871 174.702 175.510 0.105 0.000 1.305 385 N CA 0.063 53.164 53.050 0.084 0.000 0.890 385 N CB 0.703 39.281 38.487 0.151 0.000 1.118 385 N HN 0.472 nan 8.380 nan 0.000 0.511 386 A N -0.349 122.598 122.820 0.211 0.000 2.606 386 A HA 0.769 5.089 4.320 0.000 0.000 0.293 386 A C -1.706 176.099 177.584 0.369 0.000 1.082 386 A CA -0.606 51.613 52.037 0.304 0.000 0.685 386 A CB 1.789 21.017 19.000 0.379 0.000 1.284 386 A HN 0.365 nan 8.150 nan 0.000 0.408 387 V N 0.960 121.115 119.914 0.402 0.000 2.971 387 V HA 0.832 4.952 4.120 0.000 0.000 0.309 387 V C -0.828 175.352 176.094 0.143 0.000 1.130 387 V CA -0.741 61.744 62.300 0.308 0.000 0.964 387 V CB 1.946 33.841 31.823 0.119 0.000 1.029 387 V HN 1.173 nan 8.190 nan 0.000 0.427 388 R N 4.712 125.128 120.500 -0.141 0.000 2.387 388 R HA 0.497 4.837 4.340 0.000 0.000 0.314 388 R C -0.763 175.370 176.300 -0.277 0.000 0.958 388 R CA -0.476 55.387 56.100 -0.395 0.000 0.846 388 R CB 1.157 30.943 30.300 -0.858 0.000 1.147 388 R HN 0.855 nan 8.270 nan 0.000 0.447 389 C N 4.342 123.519 119.300 -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 -2.179 25.506 27.740 -0.091 0.000 1.392 389 C HN 0.700 nan 8.230 nan 0.000 0.612 390 S N 1.473 116.760 115.700 -0.689 0.000 2.465 390 S HA 0.167 4.637 4.470 0.000 0.000 0.280 390 S C -0.123 173.614 174.600 -1.438 0.000 1.232 390 S CA 0.153 57.669 58.200 -1.140 0.000 1.066 390 S CB 0.066 62.495 63.200 -1.285 0.000 0.929 390 S HN 0.739 nan 8.310 nan 0.000 0.494 391 H N 3.490 121.935 119.070 -1.042 0.000 2.597 391 H HA 0.302 4.858 4.556 0.000 0.000 0.225 391 H C -1.180 173.997 175.328 -0.253 0.000 1.422 391 H CA -0.364 55.443 56.048 -0.401 0.000 1.335 391 H CB -0.054 29.682 29.762 -0.043 0.000 1.783 391 H HN 0.895 nan 8.280 nan 0.000 0.513 392 Y N -2.670 117.740 120.300 0.184 0.000 0.000 392 Y HA 0.378 4.928 4.550 0.000 0.000 0.000 392 Y C -3.328 172.681 175.900 0.181 0.000 0.000 392 Y CA -2.901 55.313 58.100 0.189 0.000 0.000 392 Y CB -0.064 38.513 38.460 0.194 0.000 0.000 392 Y HN -0.081 nan 8.280 nan 0.000 0.000 393 P HA 0.187 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 0.132 63.501 63.100 0.450 0.000 0.776 393 P CB 0.648 32.540 31.700 0.320 0.000 0.881 394 N N 0.297 119.314 118.700 0.528 0.000 2.478 394 N HA 0.104 4.844 4.740 0.000 0.000 0.275 394 N C 0.046 175.816 175.510 0.434 0.000 1.221 394 N CA -0.609 52.658 53.050 0.362 0.000 0.979 394 N CB 0.416 38.885 38.487 -0.030 0.000 1.202 394 N HN 0.595 nan 8.380 nan 0.000 0.564 395 H N 1.963 121.150 119.070 0.195 0.000 3.034 395 H HA 0.007 4.563 4.556 0.000 0.000 0.324 395 H C -1.748 173.791 175.328 0.351 0.000 1.015 395 H CA -0.822 55.345 56.048 0.198 0.000 1.429 395 H CB 0.987 30.816 29.762 0.112 0.000 1.429 395 H HN 0.411 nan 8.280 nan 0.000 0.585 396 P HA -0.227 nan 4.420 nan 0.000 0.217 396 P C 1.846 179.488 177.300 0.570 0.000 1.151 396 P CA 0.842 64.185 63.100 0.405 0.000 0.849 396 P CB 0.166 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 56.622 54.840 0.510 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 0.167 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 59.501 57.345 -0.089 0.000 1.264 398 W CB -0.491 28.784 29.460 -0.309 0.000 1.154 398 W HN 0.283 nan 8.180 nan 0.000 0.483 399 Y N 0.631 120.889 120.300 -0.071 0.000 2.207 399 Y HA -0.243 4.307 4.550 0.000 0.000 0.287 399 Y C 2.848 178.531 175.900 -0.361 0.000 1.156 399 Y CA 2.141 59.964 58.100 -0.462 0.000 1.182 399 Y CB -1.426 36.465 38.460 -0.949 0.000 0.979 399 Y HN -0.172 nan 8.280 nan 0.000 0.521 400 T N 0.581 115.174 114.554 0.064 0.000 2.777 400 T HA -0.134 4.216 4.350 0.000 0.000 0.266 400 T C 2.047 176.786 174.700 0.065 0.000 1.040 400 T CA 1.272 63.464 62.100 0.153 0.000 1.141 400 T CB -0.548 68.459 68.868 0.232 0.000 0.868 400 T HN 0.223 nan 8.240 nan 0.000 0.444 401 L N 0.506 121.744 121.223 0.025 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 1.137 56.015 54.840 0.063 0.000 0.748 401 L CB -0.802 41.258 42.059 0.001 0.000 0.891 401 L HN 0.387 nan 8.230 nan 0.000 0.431 402 C N -0.360 118.769 119.300 -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 0.392 59.259 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 0.492 120.911 120.400 0.033 0.000 2.117 403 D HA -0.100 4.540 4.640 0.000 0.000 0.197 403 D C 2.409 178.874 176.300 0.275 0.000 0.987 403 D CA 1.161 55.244 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 -0.751 119.817 120.500 0.114 0.000 2.075 404 R HA -0.022 4.318 4.340 0.000 0.000 0.226 404 R C 2.268 178.497 176.300 -0.119 0.000 1.114 404 R CA 0.593 56.688 56.100 -0.008 0.000 0.972 404 R CB -0.366 29.848 30.300 -0.144 0.000 0.869 404 R HN 0.305 nan 8.270 nan 0.000 0.437 405 Y N 0.409 120.724 120.300 0.025 0.000 2.337 405 Y HA 0.093 4.643 4.550 0.000 0.000 0.293 405 Y C 1.078 176.908 175.900 -0.116 0.000 1.123 405 Y CA 0.921 59.004 58.100 -0.028 0.000 1.201 405 Y CB 0.472 38.885 38.460 -0.079 0.000 1.011 405 Y HN 0.309 nan 8.280 nan 0.000 0.545 406 G N 1.109 109.937 108.800 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 -1.172 173.559 174.900 -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 1.033 122.162 121.223 -0.157 0.000 2.464 407 L HA 0.465 4.805 4.340 0.000 0.000 0.266 407 L C 0.009 176.835 176.870 -0.073 0.000 0.965 407 L CA -1.265 53.433 54.840 -0.237 0.000 0.833 407 L CB 1.994 43.940 42.059 -0.188 0.000 1.296 407 L HN 0.456 nan 8.230 nan 0.000 0.405 408 Y N 2.083 122.479 120.300 0.159 0.000 2.411 408 Y HA 0.373 4.923 4.550 0.000 0.000 0.333 408 Y C 0.275 176.265 175.900 0.150 0.000 1.186 408 Y CA -0.586 57.636 58.100 0.202 0.000 1.381 408 Y CB 1.135 39.704 38.460 0.182 0.000 1.273 408 Y HN 0.155 nan 8.280 nan 0.000 0.546 409 V N 3.626 123.701 119.914 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 0.157 0.000 0.913 409 V CB 2.022 33.895 31.823 0.082 0.000 1.005 409 V HN 0.455 nan 8.190 nan 0.000 0.428 410 V N 2.597 122.548 119.914 0.060 0.000 2.328 410 V HA 0.358 4.478 4.120 0.000 0.000 0.278 410 V C -0.387 175.733 176.094 0.044 0.000 1.021 410 V CA -0.409 61.889 62.300 -0.004 0.000 0.838 410 V CB 1.425 33.172 31.823 -0.126 0.000 0.999 410 V HN 0.878 nan 8.190 nan 0.000 0.447 411 D N 4.021 124.478 120.400 0.095 0.000 2.264 411 D HA 0.315 4.955 4.640 0.000 0.000 0.250 411 D C -0.216 176.256 176.300 0.286 0.000 1.113 411 D CA 0.038 54.190 54.000 0.253 0.000 0.871 411 D CB 1.293 42.290 40.800 0.328 0.000 1.167 411 D HN 0.711 nan 8.370 nan 0.000 0.447 412 E N 1.713 122.058 120.200 0.242 0.000 2.248 412 E HA 0.616 4.966 4.350 0.000 0.000 0.267 412 E C -1.130 175.608 176.600 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 31.198 29.700 0.132 0.000 1.182 412 E HN 0.451 nan 8.360 nan 0.000 0.418 413 A N 3.644 126.596 122.820 0.220 0.000 2.445 413 A HA 0.079 4.399 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 51.874 52.037 0.188 0.000 0.777 413 A CB 0.174 19.252 19.000 0.130 0.000 1.013 413 A HN 0.685 nan 8.150 nan 0.000 0.493 414 N N 1.467 120.301 118.700 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 0.278 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 0.672 121.361 120.570 0.199 0.000 2.534 415 I HA 0.271 4.441 4.170 0.000 0.000 0.286 415 I C -0.621 175.590 176.117 0.156 0.000 1.094 415 I CA -0.688 60.709 61.300 0.163 0.000 1.055 415 I CB 1.973 40.044 38.000 0.118 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 -0.530 176.142 176.600 0.120 0.000 0.890 416 E CA -0.438 56.024 56.400 0.104 0.000 0.770 416 E CB 1.862 31.599 29.700 0.062 0.000 1.212 416 E HN 0.671 nan 8.360 nan 0.000 0.415 417 T N 0.537 115.154 114.554 0.105 0.000 3.380 417 T HA 0.138 4.488 4.350 0.000 0.000 0.289 417 T C 0.972 175.736 174.700 0.106 0.000 1.012 417 T CA -0.286 61.903 62.100 0.147 0.000 0.944 417 T CB -0.328 68.596 68.868 0.093 0.000 1.172 417 T HN 0.679 nan 8.240 nan 0.000 0.502 418 H N 1.189 120.190 119.070 -0.116 0.000 2.362 418 H HA -0.133 4.423 4.556 0.000 0.000 0.294 418 H C 2.265 177.470 175.328 -0.205 0.000 1.113 418 H CA 1.441 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 0.576 nan 8.280 nan 0.000 0.494 419 G N 0.231 108.869 108.800 -0.270 0.000 2.650 419 G HA2 -0.042 3.918 3.960 0.000 0.000 0.214 419 G HA3 -0.042 3.918 3.960 0.000 0.000 0.214 419 G C 0.646 175.627 174.900 0.135 0.000 1.136 419 G CA -0.140 44.821 45.100 -0.232 0.000 0.789 419 G HN 0.148 nan 8.290 nan 0.000 0.536 420 M N 0.148 119.880 119.600 0.219 0.000 2.131 420 M HA 0.314 4.794 4.480 0.000 0.000 0.283 420 M C -0.313 176.022 176.300 0.058 0.000 1.225 420 M CA 0.145 55.538 55.300 0.154 0.000 1.153 420 M CB 1.079 33.725 32.600 0.077 0.000 1.380 420 M HN -0.161 nan 8.290 nan 0.000 0.458 421 V N 2.153 122.079 119.914 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 1.935 33.755 31.823 -0.004 0.000 1.024 421 V HN 0.748 nan 8.190 nan 0.000 0.435 422 P HA 0.214 nan 4.420 nan 0.000 0.273 422 P C 1.134 178.435 177.300 0.001 0.000 1.250 422 P CA -0.456 62.640 63.100 -0.007 0.000 0.793 422 P CB 0.858 32.555 31.700 -0.004 0.000 1.011 423 M N 0.885 120.493 119.600 0.012 0.000 2.255 423 M HA -0.233 4.247 4.480 0.000 0.000 0.259 423 M C 1.088 177.405 176.300 0.029 0.000 1.071 423 M CA 2.161 57.479 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 -0.262 118.451 118.700 0.023 0.000 2.251 424 N HA -0.040 4.700 4.740 0.000 0.000 0.217 424 N C 1.053 176.529 175.510 -0.057 0.000 1.124 424 N CA 0.073 53.131 53.050 0.013 0.000 0.843 424 N CB -0.592 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 0.615 121.071 120.500 -0.074 0.000 2.134 425 R HA -0.090 4.250 4.340 0.000 0.000 0.248 425 R C 1.547 177.727 176.300 -0.201 0.000 1.143 425 R CA 1.888 57.919 56.100 -0.115 0.000 0.957 425 R CB -0.159 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 -0.993 120.043 121.223 -0.311 0.000 2.168 426 L HA 0.004 4.344 4.340 0.000 0.000 0.203 426 L C 2.476 179.163 176.870 -0.305 0.000 1.078 426 L CA 1.282 55.808 54.840 -0.524 0.000 0.780 426 L CB -0.770 40.698 42.059 -0.985 0.000 0.939 426 L HN 0.366 nan 8.230 nan 0.000 0.451 427 T N -3.658 110.756 114.554 -0.235 0.000 2.897 427 T HA -0.210 4.140 4.350 0.000 0.000 0.271 427 T C 1.242 175.819 174.700 -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 68.327 68.868 -0.315 0.000 0.865 427 T HN 0.133 nan 8.240 nan 0.000 0.496 428 D N 1.305 121.626 120.400 -0.131 0.000 2.342 428 D HA 0.138 4.778 4.640 0.000 0.000 0.221 428 D C -0.492 175.777 176.300 -0.051 0.000 1.101 428 D CA -0.224 53.719 54.000 -0.094 0.000 0.837 428 D CB -0.031 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 -0.592 119.793 120.400 -0.026 0.000 2.481 429 D HA 0.187 4.827 4.640 0.000 0.000 0.246 429 D C -1.828 174.538 176.300 0.109 0.000 1.109 429 D CA -2.320 51.714 54.000 0.057 0.000 0.845 429 D CB 2.235 43.107 40.800 0.120 0.000 1.160 429 D HN -0.149 nan 8.370 nan 0.000 0.534 430 P HA -0.186 nan 4.420 nan 0.000 0.216 430 P C 1.105 178.414 177.300 0.016 0.000 1.154 430 P CA 1.250 64.362 63.100 0.021 0.000 0.865 430 P CB 0.170 31.870 31.700 0.001 0.000 0.789 431 R N -1.804 118.711 120.500 0.025 0.000 2.211 431 R HA -0.143 4.197 4.340 0.000 0.000 0.240 431 R C 1.770 177.926 176.300 -0.240 0.000 1.144 431 R CA 1.457 57.491 56.100 -0.110 0.000 0.992 431 R CB -0.830 29.377 30.300 -0.155 0.000 0.869 431 R HN 0.365 nan 8.270 nan 0.000 0.462 432 W N -0.044 121.197 121.300 -0.098 0.000 3.278 432 W HA 0.147 4.807 4.660 0.000 0.000 0.308 432 W C 1.585 178.042 176.519 -0.103 0.000 1.253 432 W CA -0.603 56.683 57.345 -0.099 0.000 1.759 432 W CB -0.032 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 2.382 123.651 121.223 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 2.308 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 2.076 65.121 63.100 -0.092 0.000 0.863 434 P CB -0.253 31.384 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 2.311 54.347 52.037 -0.002 0.000 0.629 435 A CB -1.641 17.406 19.000 0.078 0.000 0.826 435 A HN 0.075 nan 8.150 nan 0.000 0.447 436 M N -0.171 119.451 119.600 0.036 0.000 2.108 436 M HA -0.184 4.296 4.480 0.000 0.000 0.261 436 M C 2.601 178.851 176.300 -0.084 0.000 1.066 436 M CA 1.916 57.211 55.300 -0.009 0.000 1.107 436 M CB -0.564 32.010 32.600 -0.043 0.000 1.356 436 M HN 0.689 nan 8.290 nan 0.000 0.406 437 S N 0.533 116.158 115.700 -0.124 0.000 2.365 437 S HA -0.221 4.249 4.470 0.000 0.000 0.225 437 S C 1.696 176.139 174.600 -0.262 0.000 1.039 437 S CA 1.715 59.779 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 0.649 120.744 120.200 -0.176 0.000 2.110 438 E HA -0.137 4.213 4.350 0.000 0.000 0.193 438 E C 2.454 178.976 176.600 -0.131 0.000 0.988 438 E CA 1.014 57.320 56.400 -0.157 0.000 0.804 438 E CB -0.224 29.418 29.700 -0.096 0.000 0.745 438 E HN 0.582 nan 8.360 nan 0.000 0.458 439 R N 0.172 120.622 120.500 -0.083 0.000 2.120 439 R HA -0.106 4.234 4.340 0.000 0.000 0.234 439 R C 2.349 178.609 176.300 -0.067 0.000 1.123 439 R CA 0.917 56.996 56.100 -0.036 0.000 0.975 439 R CB -0.016 30.297 30.300 0.022 0.000 0.866 439 R HN 0.019 nan 8.270 nan 0.000 0.446 440 V N 0.001 119.828 119.914 -0.145 0.000 2.426 440 V HA -0.174 3.946 4.120 0.000 0.000 0.242 440 V C 2.357 178.298 176.094 -0.255 0.000 1.036 440 V CA 2.009 64.210 62.300 -0.165 0.000 1.044 440 V CB -0.394 31.316 31.823 -0.188 0.000 0.688 440 V HN 0.513 nan 8.190 nan 0.000 0.462 441 T N -0.215 114.068 114.554 -0.451 0.000 2.665 441 T HA -0.310 4.040 4.350 0.000 0.000 0.268 441 T C 1.945 176.516 174.700 -0.215 0.000 1.035 441 T CA 1.772 63.545 62.100 -0.544 0.000 1.151 441 T CB -0.487 67.953 68.868 -0.714 0.000 0.862 441 T HN 0.403 nan 8.240 nan 0.000 0.438 442 R N 0.463 120.853 120.500 -0.184 0.000 2.081 442 R HA 0.074 4.414 4.340 0.000 0.000 0.235 442 R C 2.718 178.955 176.300 -0.106 0.000 1.131 442 R CA 1.636 57.661 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 0.488 nan 8.270 nan 0.000 0.436 443 M N 0.813 120.359 119.600 -0.090 0.000 2.080 443 M HA -0.183 4.297 4.480 0.000 0.000 0.260 443 M C 2.008 178.252 176.300 -0.094 0.000 1.068 443 M CA 1.747 57.021 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 0.742 120.506 119.914 -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 2.186 64.211 62.300 -0.459 0.000 1.038 444 V CB -0.965 30.570 31.823 -0.480 0.000 0.651 444 V HN 0.599 nan 8.190 nan 0.000 0.450 445 Q N -0.754 118.977 119.800 -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 1.788 57.538 55.803 -0.089 0.000 0.856 445 Q CB -0.161 28.547 28.738 -0.051 0.000 0.902 445 Q HN 0.540 nan 8.270 nan 0.000 0.425 446 R N 0.100 120.520 120.500 -0.134 0.000 2.075 446 R HA -0.094 4.246 4.340 0.000 0.000 0.226 446 R C 0.584 176.804 176.300 -0.133 0.000 1.114 446 R CA 1.403 57.397 56.100 -0.177 0.000 0.972 446 R CB 0.367 30.561 30.300 -0.176 0.000 0.869 446 R HN 0.147 nan 8.270 nan 0.000 0.437 447 D N -0.184 120.203 120.400 -0.021 0.000 2.369 447 D HA -0.009 4.631 4.640 0.000 0.000 0.211 447 D C 1.406 177.807 176.300 0.167 0.000 1.077 447 D CA 0.177 54.213 54.000 0.060 0.000 0.842 447 D CB 0.296 41.105 40.800 0.014 0.000 0.947 447 D HN 0.325 nan 8.370 nan 0.000 0.509 448 R N 0.810 121.421 120.500 0.185 0.000 2.303 448 R HA -0.002 4.338 4.340 0.000 0.000 0.225 448 R C 0.994 177.283 176.300 -0.018 0.000 1.114 448 R CA 1.095 57.318 56.100 0.204 0.000 1.007 448 R CB -0.420 29.967 30.300 0.145 0.000 0.861 448 R HN -0.029 nan 8.270 nan 0.000 0.471 449 N N 0.285 118.888 118.700 -0.161 0.000 2.412 449 N HA -0.033 4.707 4.740 0.000 0.000 0.184 449 N C -0.407 174.956 175.510 -0.245 0.000 1.101 449 N CA 0.253 53.162 53.050 -0.235 0.000 0.881 449 N CB 0.060 38.357 38.487 -0.317 0.000 0.969 449 N HN 0.369 nan 8.380 nan 0.000 0.459 450 H N 1.573 120.558 119.070 -0.142 0.000 2.742 450 H HA 0.096 4.652 4.556 0.000 0.000 0.302 450 H C -1.202 173.962 175.328 -0.274 0.000 1.069 450 H CA -1.205 54.740 56.048 -0.171 0.000 1.446 450 H CB 1.541 31.238 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 1.384 178.265 177.300 -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 -1.313 114.047 115.700 -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 0.169 58.212 58.200 -0.262 0.000 0.957 452 S CB -1.309 61.856 63.200 -0.058 0.000 0.773 452 S HN -0.070 nan 8.310 nan 0.000 0.507 453 V N 3.476 123.313 119.914 -0.127 0.000 2.470 453 V HA 0.263 4.383 4.120 0.000 0.000 0.276 453 V C 0.984 176.929 176.094 -0.249 0.000 1.040 453 V CA -0.081 62.110 62.300 -0.181 0.000 1.008 453 V CB 0.617 32.237 31.823 -0.338 0.000 0.990 453 V HN 0.627 nan 8.190 nan 0.000 0.477 454 I N 2.662 123.129 120.570 -0.173 0.000 4.327 454 I HA 0.526 4.696 4.170 0.000 0.000 0.331 454 I C 0.240 176.231 176.117 -0.211 0.000 1.348 454 I CA 0.336 61.542 61.300 -0.157 0.000 1.152 454 I CB 0.495 38.481 38.000 -0.023 0.000 1.151 454 I HN 0.312 nan 8.210 nan 0.000 0.410 455 I N 0.248 120.665 120.570 -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 40.162 38.000 -0.009 0.000 1.259 455 I HN 0.014 nan 8.210 nan 0.000 0.423 456 W N 3.553 124.898 121.300 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 1.724 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 2.896 118.825 115.700 0.383 0.000 2.532 457 S HA 0.391 4.861 4.470 0.000 0.000 0.299 457 S C 0.250 175.020 174.600 0.283 0.000 1.105 457 S CA -0.710 57.665 58.200 0.291 0.000 1.018 457 S CB 0.815 64.140 63.200 0.208 0.000 1.021 457 S HN 0.595 nan 8.310 nan 0.000 0.483 458 L N 4.097 125.485 121.223 0.275 0.000 2.610 458 L HA 0.317 4.657 4.340 0.000 0.000 0.232 458 L C 1.425 178.390 176.870 0.158 0.000 1.149 458 L CA 0.577 55.516 54.840 0.165 0.000 0.872 458 L CB -1.219 40.844 42.059 0.006 0.000 0.992 458 L HN 0.999 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 -1.661 173.431 174.900 0.320 0.000 1.325 459 G CA -0.528 44.729 45.100 0.262 0.000 1.091 459 G HN 0.183 nan 8.290 nan 0.000 0.476 460 N N 0.185 119.026 118.700 0.235 0.000 2.504 460 N HA 0.438 5.178 4.740 0.000 0.000 0.268 460 N C -0.531 174.943 175.510 -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 0.722 120.793 120.200 -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 0.791 56.993 56.400 -0.330 0.000 0.646 461 E CB -1.562 27.645 29.700 -0.821 0.000 1.051 461 E HN 0.417 nan 8.360 nan 0.000 0.315 462 S N 0.057 115.834 115.700 0.128 0.000 2.941 462 S HA 0.415 4.885 4.470 0.000 0.000 0.251 462 S C 0.762 175.534 174.600 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 -0.500 174.620 174.900 0.367 0.000 1.264 463 G CA 0.021 45.235 45.100 0.190 0.000 0.935 463 G HN 0.648 nan 8.290 nan 0.000 0.568 464 H N 0.500 119.699 119.070 0.215 0.000 2.840 464 H HA 0.582 5.138 4.556 0.000 0.000 0.340 464 H C 0.156 175.663 175.328 0.298 0.000 1.004 464 H CA 0.090 56.292 56.048 0.256 0.000 1.288 464 H CB 0.935 30.776 29.762 0.132 0.000 1.607 464 H HN 1.219 nan 8.280 nan 0.000 0.522 465 G N 1.400 110.203 108.800 0.005 0.000 2.680 465 G HA2 0.457 4.418 3.960 0.000 0.000 0.290 465 G HA3 0.457 4.418 3.960 0.000 0.000 0.290 465 G C 0.501 175.231 174.900 -0.283 0.000 1.355 465 G CA -0.162 44.795 45.100 -0.237 0.000 0.903 465 G HN 0.657 nan 8.290 nan 0.000 0.474 466 A N 0.371 123.072 122.820 -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 -0.097 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 -0.296 118.325 118.700 -0.133 0.000 2.205 467 N HA -0.156 4.584 4.740 0.000 0.000 0.186 467 N C 1.372 176.818 175.510 -0.106 0.000 1.015 467 N CA 1.728 54.694 53.050 -0.141 0.000 0.862 467 N CB -0.704 37.668 38.487 -0.192 0.000 0.986 467 N HN 0.802 nan 8.380 nan 0.000 0.429 468 H N 0.485 119.509 119.070 -0.076 0.000 2.321 468 H HA -0.038 4.518 4.556 0.000 0.000 0.300 468 H C 1.275 176.655 175.328 0.086 0.000 1.087 468 H CA 1.329 57.348 56.048 -0.048 0.000 1.319 468 H CB 0.129 29.855 29.762 -0.061 0.000 1.379 468 H HN 0.164 nan 8.280 nan 0.000 0.501 469 D N 0.497 121.042 120.400 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 -0.562 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 0.700 123.616 122.820 0.160 0.000 1.908 470 A HA -0.137 4.183 4.320 0.000 0.000 0.218 470 A C 2.408 180.102 177.584 0.184 0.000 1.181 470 A CA 1.019 53.143 52.037 0.145 0.000 0.627 470 A CB -0.741 18.302 19.000 0.072 0.000 0.818 470 A HN 0.217 nan 8.150 nan 0.000 0.445 471 L N -2.314 119.006 121.223 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 1.474 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 0.908 121.294 120.300 0.143 0.000 2.081 472 Y HA -0.309 4.241 4.550 0.000 0.000 0.280 472 Y C 2.899 178.881 175.900 0.137 0.000 1.163 472 Y CA 1.597 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 0.054 120.682 120.500 0.213 0.000 2.083 473 R HA -0.253 4.087 4.340 0.000 0.000 0.237 473 R C 2.116 178.419 176.300 0.005 0.000 1.137 473 R CA 2.050 58.202 56.100 0.087 0.000 0.951 473 R CB -1.735 28.686 30.300 0.202 0.000 0.851 473 R HN 0.681 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 1.964 178.392 176.519 -0.152 0.000 1.221 474 W CA 1.952 59.243 57.345 -0.090 0.000 1.266 474 W CB -0.442 28.970 29.460 -0.081 0.000 1.150 474 W HN 0.035 nan 8.180 nan 0.000 0.496 475 I N 0.648 121.204 120.570 -0.024 0.000 2.226 475 I HA -0.335 3.835 4.170 0.000 0.000 0.245 475 I C 2.404 178.287 176.117 -0.390 0.000 1.100 475 I CA 1.336 62.450 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 1.104 121.303 120.400 -0.335 0.000 2.113 476 K HA -0.139 4.181 4.320 0.000 0.000 0.208 476 K C 2.221 178.671 176.600 -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 0.403 115.913 115.700 -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 0.799 58.820 58.200 -0.298 0.000 0.965 477 S CB -0.172 62.865 63.200 -0.272 0.000 0.812 477 S HN -0.013 nan 8.310 nan 0.000 0.482 478 V N 1.379 120.929 119.914 -0.606 0.000 2.488 478 V HA 0.057 4.177 4.120 0.000 0.000 0.246 478 V C 0.380 176.237 176.094 -0.395 0.000 1.046 478 V CA 1.251 63.181 62.300 -0.616 0.000 1.053 478 V CB -0.258 30.877 31.823 -1.147 0.000 0.679 478 V HN 0.394 nan 8.190 nan 0.000 0.458 479 D N -0.881 119.324 120.400 -0.326 0.000 2.336 479 D HA 0.264 4.904 4.640 0.000 0.000 0.248 479 D C -2.239 174.042 176.300 -0.031 0.000 1.326 479 D CA -1.656 52.269 54.000 -0.124 0.000 0.973 479 D CB 1.903 42.710 40.800 0.013 0.000 1.255 479 D HN 0.070 nan 8.370 nan 0.000 0.558 480 P HA 0.003 nan 4.420 nan 0.000 0.240 480 P C 1.200 178.517 177.300 0.028 0.000 1.190 480 P CA 0.285 63.374 63.100 -0.019 0.000 0.781 480 P CB 0.288 31.968 31.700 -0.034 0.000 0.931 481 S N -0.604 115.125 115.700 0.047 0.000 2.481 481 S HA -0.004 4.467 4.470 0.000 0.000 0.231 481 S C 0.890 175.519 174.600 0.049 0.000 0.996 481 S CA 0.101 58.333 58.200 0.053 0.000 0.942 481 S CB -0.434 62.792 63.200 0.043 0.000 0.768 481 S HN 0.088 nan 8.310 nan 0.000 0.520 482 R N 0.824 121.373 120.500 0.082 0.000 2.725 482 R HA 0.599 4.939 4.340 0.000 0.000 0.277 482 R C -3.210 173.155 176.300 0.109 0.000 0.987 482 R CA -2.321 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 0.219 nan 4.420 nan 0.000 0.276 483 P C -0.820 176.582 177.300 0.170 0.000 1.244 483 P CA -0.525 62.638 63.100 0.105 0.000 0.801 483 P CB 0.866 32.611 31.700 0.075 0.000 1.006 484 V N 2.140 122.178 119.914 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 1.373 33.347 31.823 0.252 0.000 0.991 484 V HN 0.652 nan 8.190 nan 0.000 0.434 485 Q N 3.433 123.394 119.800 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 0.652 nan 8.270 nan 0.000 0.427 486 Y N 0.127 120.446 120.300 0.032 0.000 2.357 486 Y HA 0.145 4.695 4.550 0.000 0.000 0.319 486 Y C -0.445 175.408 175.900 -0.080 0.000 1.225 486 Y CA -0.633 57.455 58.100 -0.021 0.000 1.095 486 Y CB 2.016 40.458 38.460 -0.030 0.000 1.302 486 Y HN 0.958 nan 8.280 nan 0.000 0.429 487 E N 3.554 123.280 120.200 -0.789 0.000 2.250 487 E HA 0.113 4.463 4.350 0.000 0.000 0.192 487 E C 0.748 176.917 176.600 -0.718 0.000 0.986 487 E CA 0.799 56.838 56.400 -0.602 0.000 0.849 487 E CB 0.188 29.649 29.700 -0.397 0.000 0.797 487 E HN 0.900 nan 8.360 nan 0.000 0.482 488 G N 0.001 107.973 108.800 -1.380 0.000 2.464 488 G HA2 0.174 4.134 3.960 0.000 0.000 0.231 488 G HA3 0.174 4.134 3.960 0.000 0.000 0.231 488 G C 0.789 175.552 174.900 -0.229 0.000 1.267 488 G CA 0.370 45.060 45.100 -0.683 0.000 0.863 488 G HN 0.383 nan 8.290 nan 0.000 0.559 489 G N -0.361 108.403 108.800 -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 46.121 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 1.103 176.101 174.900 0.164 0.000 1.000 490 G CA 1.309 46.458 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 2.657 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 2.108 nan 8.150 nan 0.000 0.895 492 D N -1.157 119.271 120.400 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 0.825 54.862 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 0.840 nan 8.370 nan 0.000 0.480 493 T N -2.660 111.823 114.554 -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 1.092 69.608 68.868 -0.586 0.000 1.036 493 T HN 0.056 nan 8.240 nan 0.000 0.526 494 T N -1.571 112.843 114.554 -0.233 0.000 3.007 494 T HA 0.039 4.389 4.350 0.000 0.000 0.270 494 T C 1.713 176.148 174.700 -0.442 0.000 1.107 494 T CA 0.880 62.851 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 0.110 122.701 122.820 -0.381 0.000 2.337 495 A HA 0.452 4.772 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 0.114 51.871 52.037 -0.467 0.000 0.870 495 A CB -0.220 18.777 19.000 -0.006 0.000 0.927 495 A HN 0.504 nan 8.150 nan 0.000 0.497 496 T N -1.690 112.720 114.554 -0.241 0.000 2.912 496 T HA 0.390 4.740 4.350 0.000 0.000 0.299 496 T C -0.543 174.187 174.700 0.050 0.000 1.052 496 T CA -0.468 61.638 62.100 0.011 0.000 0.996 496 T CB 1.350 70.225 68.868 0.011 0.000 1.070 496 T HN 0.071 nan 8.240 nan 0.000 0.465 497 D N 2.534 123.041 120.400 0.179 0.000 2.348 497 D HA 0.305 4.945 4.640 0.000 0.000 0.211 497 D C 0.278 176.615 176.300 0.062 0.000 0.998 497 D CA 0.673 54.763 54.000 0.150 0.000 0.873 497 D CB 0.397 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 0.602 121.190 120.570 0.030 0.000 2.686 498 I HA 0.262 4.432 4.170 0.000 0.000 0.295 498 I C -0.381 175.681 176.117 -0.091 0.000 1.114 498 I CA -0.947 60.336 61.300 -0.029 0.000 1.038 498 I CB 2.977 40.967 38.000 -0.016 0.000 1.238 498 I HN -0.358 nan 8.210 nan 0.000 0.420 499 I N 5.158 125.629 120.570 -0.163 0.000 2.436 499 I HA 0.097 4.267 4.170 0.000 0.000 0.289 499 I C -0.001 175.924 176.117 -0.319 0.000 1.083 499 I CA -0.055 61.063 61.300 -0.303 0.000 1.372 499 I CB 0.165 37.890 38.000 -0.459 0.000 1.408 499 I HN 0.633 nan 8.210 nan 0.000 0.516 500 C N 5.492 124.619 119.300 -0.288 0.000 3.414 500 C HA 0.486 4.946 4.460 0.000 0.000 0.208 500 C C -2.223 172.629 174.990 -0.231 0.000 1.422 500 C CA -2.273 56.616 59.018 -0.216 0.000 1.437 500 C CB -0.925 26.746 27.740 -0.114 0.000 1.850 500 C HN 0.399 nan 8.230 nan 0.000 0.481 501 P HA 0.371 nan 4.420 nan 0.000 0.274 501 P C -0.464 176.762 177.300 -0.124 0.000 1.256 501 P CA 0.074 63.050 63.100 -0.206 0.000 0.795 501 P CB 0.725 32.280 31.700 -0.242 0.000 1.038 502 M N -0.169 119.386 119.600 -0.075 0.000 2.181 502 M HA 0.462 4.942 4.480 0.000 0.000 0.323 502 M C -0.943 175.332 176.300 -0.042 0.000 1.004 502 M CA -0.599 54.575 55.300 -0.210 0.000 0.941 502 M CB 1.278 33.728 32.600 -0.249 0.000 1.579 502 M HN 0.349 nan 8.290 nan 0.000 0.427 503 Y N -0.115 120.324 120.300 0.232 0.000 4.490 503 Y HA -0.214 4.336 4.550 0.000 0.000 0.233 503 Y C 0.478 176.525 175.900 0.245 0.000 1.101 503 Y CA 0.427 58.668 58.100 0.235 0.000 2.010 503 Y CB -2.256 36.312 38.460 0.181 0.000 1.622 503 Y HN 0.988 nan 8.280 nan 0.000 0.675 504 A N 1.271 124.288 122.820 0.330 0.000 2.425 504 A HA 0.580 4.900 4.320 0.000 0.000 0.249 504 A C 0.706 178.485 177.584 0.324 0.000 1.084 504 A CA -0.475 51.758 52.037 0.327 0.000 0.781 504 A CB 0.394 19.613 19.000 0.364 0.000 1.019 504 A HN 0.398 nan 8.150 nan 0.000 0.490 505 R N 1.565 122.193 120.500 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 -0.733 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 0.861 120.596 119.914 -0.299 0.000 2.261 506 V HA -0.228 3.892 4.120 0.000 0.000 0.246 506 V C 1.027 177.001 176.094 -0.201 0.000 1.047 506 V CA 1.934 64.004 62.300 -0.384 0.000 1.015 506 V CB -0.244 31.238 31.823 -0.568 0.000 0.642 506 V HN 0.780 nan 8.190 nan 0.000 0.446 507 D N -0.969 119.346 120.400 -0.141 0.000 2.474 507 D HA 0.107 4.747 4.640 0.000 0.000 0.213 507 D C 0.624 176.905 176.300 -0.032 0.000 1.120 507 D CA 0.070 54.022 54.000 -0.080 0.000 0.836 507 D CB 0.595 41.352 40.800 -0.071 0.000 1.019 507 D HN 0.690 nan 8.370 nan 0.000 0.507 508 E N 1.183 121.372 120.200 -0.019 0.000 2.191 508 E HA 0.368 4.718 4.350 0.000 0.000 0.274 508 E C -0.856 175.749 176.600 0.009 0.000 0.948 508 E CA -0.773 55.624 56.400 -0.004 0.000 0.802 508 E CB 1.619 31.313 29.700 -0.010 0.000 1.137 508 E HN -0.295 nan 8.360 nan 0.000 0.397 509 D N 2.338 122.739 120.400 0.003 0.000 2.225 509 D HA 0.149 4.789 4.640 0.000 0.000 0.249 509 D C -0.608 175.590 176.300 -0.170 0.000 1.052 509 D CA -0.218 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 1.576 121.160 119.800 -0.358 0.000 2.558 510 Q HA 0.267 4.607 4.340 0.000 0.000 0.252 510 Q C -2.286 173.039 176.000 -1.125 0.000 1.015 510 Q CA -1.595 53.787 55.803 -0.702 0.000 0.720 510 Q CB 2.451 30.814 28.738 -0.625 0.000 1.215 510 Q HN 0.133 nan 8.270 nan 0.000 0.500 511 P HA 0.067 nan 4.420 nan 0.000 0.214 511 P C -0.782 176.169 177.300 -0.581 0.000 1.826 511 P CA -0.153 62.510 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 2.297 122.099 119.950 -0.247 0.000 2.459 512 F HA 0.241 4.768 4.527 0.000 0.000 0.346 512 F C -1.188 174.506 175.800 -0.176 0.000 1.128 512 F CA -2.606 55.293 58.000 -0.168 0.000 1.268 512 F CB -0.445 38.473 39.000 -0.136 0.000 1.161 512 F HN 0.045 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 0.912 64.031 63.100 0.031 0.000 0.768 513 P CB 1.152 32.871 31.700 0.032 0.000 0.842 514 A N 3.018 125.841 122.820 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 2.063 54.106 52.037 0.010 0.000 1.149 514 A CB -2.637 16.372 19.000 0.016 0.000 1.321 514 A HN 0.736 nan 8.150 nan 0.000 0.679 515 V N -3.727 116.188 119.914 0.001 0.000 2.703 515 V HA 0.542 4.662 4.120 0.000 0.000 0.290 515 V C -2.640 173.457 176.094 0.004 0.000 1.035 515 V CA -1.102 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 0.444 nan 8.190 nan 0.000 0.562 516 P HA 0.342 nan 4.420 nan 0.000 0.272 516 P C -0.712 176.117 177.300 -0.785 0.000 1.230 516 P CA 0.091 62.809 63.100 -0.636 0.000 0.788 516 P CB 0.990 31.918 31.700 -1.286 0.000 0.949 517 K N 1.913 121.871 120.400 -0.737 0.000 2.521 517 K HA 0.235 4.555 4.320 0.000 0.000 0.248 517 K C -0.518 175.788 176.600 -0.489 0.000 0.978 517 K CA -0.263 55.784 56.287 -0.399 0.000 0.947 517 K CB 0.699 33.255 32.500 0.093 0.000 1.165 517 K HN 0.488 nan 8.250 nan 0.000 0.445 518 W N 1.585 122.624 121.300 -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 -0.672 56.506 57.345 -0.278 0.000 1.259 518 W CB 0.533 29.669 29.460 -0.539 0.000 1.133 518 W HN 0.441 nan 8.180 nan 0.000 0.592 519 S N 3.205 119.074 115.700 0.282 0.000 2.558 519 S HA -0.077 4.393 4.470 0.000 0.000 0.288 519 S C 1.082 175.832 174.600 0.249 0.000 1.318 519 S CA -0.209 58.095 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 0.555 nan 8.310 nan 0.000 0.505 520 I N 1.099 121.772 120.570 0.171 0.000 2.454 520 I HA -0.160 4.010 4.170 0.000 0.000 0.254 520 I C 1.855 177.988 176.117 0.027 0.000 1.156 520 I CA 1.111 62.511 61.300 0.166 0.000 1.433 520 I CB -0.574 37.457 38.000 0.051 0.000 1.082 520 I HN 0.664 nan 8.210 nan 0.000 0.432 521 K N 2.135 122.456 120.400 -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 1.605 57.737 56.287 -0.258 0.000 0.938 521 K CB -0.338 31.897 32.500 -0.442 0.000 0.718 521 K HN 0.440 nan 8.250 nan 0.000 0.442 522 K N 0.696 121.101 120.400 0.007 0.000 2.103 522 K HA -0.150 4.170 4.320 0.000 0.000 0.204 522 K C 1.923 178.524 176.600 0.002 0.000 1.052 522 K CA 0.674 56.948 56.287 -0.023 0.000 0.945 522 K CB -0.090 32.366 32.500 -0.073 0.000 0.722 522 K HN 0.195 nan 8.250 nan 0.000 0.443 523 W N 2.039 123.298 121.300 -0.068 0.000 2.321 523 W HA -0.207 4.453 4.660 0.000 0.000 0.306 523 W C 1.549 178.027 176.519 -0.068 0.000 1.217 523 W CA 1.293 58.607 57.345 -0.051 0.000 1.257 523 W CB -0.574 28.956 29.460 0.117 0.000 1.145 523 W HN 0.119 nan 8.180 nan 0.000 0.509 524 L N 0.853 122.218 121.223 0.237 0.000 2.127 524 L HA -0.254 4.086 4.340 0.000 0.000 0.211 524 L C 2.564 179.487 176.870 0.087 0.000 1.089 524 L CA 1.910 56.830 54.840 0.133 0.000 0.757 524 L CB -0.990 41.126 42.059 0.095 0.000 0.899 524 L HN -0.004 nan 8.230 nan 0.000 0.434 525 S N -0.955 114.773 115.700 0.047 0.000 2.558 525 S HA 0.109 4.579 4.470 0.000 0.000 0.217 525 S C 0.824 175.396 174.600 -0.048 0.000 0.975 525 S CA -0.408 57.793 58.200 0.001 0.000 0.912 525 S CB -0.462 62.733 63.200 -0.008 0.000 0.776 525 S HN 0.205 nan 8.310 nan 0.000 0.526 526 L N 2.522 123.699 121.223 -0.076 0.000 2.543 526 L HA 0.195 4.535 4.340 0.000 0.000 0.285 526 L C -2.227 174.606 176.870 -0.062 0.000 1.236 526 L CA -1.543 53.217 54.840 -0.134 0.000 0.871 526 L CB -0.418 41.526 42.059 -0.192 0.000 1.121 526 L HN 0.065 nan 8.230 nan 0.000 0.501 527 P HA -0.010 nan 4.420 nan 0.000 0.260 527 P C 0.841 178.129 177.300 -0.019 0.000 1.185 527 P CA 0.929 64.003 63.100 -0.043 0.000 0.763 527 P CB 0.627 32.297 31.700 -0.051 0.000 0.776 528 G N 2.068 110.864 108.800 -0.006 0.000 2.225 528 G HA2 -0.266 3.694 3.960 0.000 0.000 0.254 528 G HA3 -0.266 3.694 3.960 0.000 0.000 0.254 528 G C 0.242 175.155 174.900 0.022 0.000 0.988 528 G CA 0.074 45.179 45.100 0.008 0.000 0.625 528 G HN 0.626 nan 8.290 nan 0.000 0.527 529 E N 1.242 121.459 120.200 0.030 0.000 2.344 529 E HA 0.556 4.906 4.350 0.000 0.000 0.270 529 E C 1.419 178.042 176.600 0.038 0.000 1.021 529 E CA 0.832 57.264 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 0.312 4.662 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 -0.430 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 2.270 122.776 120.500 0.009 0.000 2.707 531 R HA 0.436 4.776 4.340 0.000 0.000 0.270 531 R C -2.523 173.759 176.300 -0.031 0.000 1.083 531 R CA -1.590 54.505 56.100 -0.009 0.000 1.182 531 R CB -0.000 30.289 30.300 -0.018 0.000 1.084 531 R HN 0.254 nan 8.270 nan 0.000 0.528 532 P HA 0.168 nan 4.420 nan 0.000 0.278 532 P C -1.152 176.079 177.300 -0.115 0.000 1.258 532 P CA -0.279 62.779 63.100 -0.069 0.000 0.811 532 P CB 0.736 32.396 31.700 -0.068 0.000 1.063 533 L N 1.971 123.106 121.223 -0.148 0.000 2.381 533 L HA 0.611 4.951 4.340 0.000 0.000 0.274 533 L C -1.236 175.496 176.870 -0.231 0.000 0.988 533 L CA -0.685 54.029 54.840 -0.210 0.000 0.824 533 L CB 0.855 42.773 42.059 -0.234 0.000 1.263 533 L HN 0.228 nan 8.230 nan 0.000 0.410 534 I N 5.332 125.769 120.570 -0.222 0.000 2.512 534 I HA 0.280 4.450 4.170 0.000 0.000 0.287 534 I C -0.907 175.110 176.117 -0.167 0.000 1.069 534 I CA -0.538 60.620 61.300 -0.235 0.000 1.056 534 I CB 2.098 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 5.561 126.657 121.223 -0.211 0.000 2.367 535 L HA 0.117 4.457 4.340 0.000 0.000 0.275 535 L C 1.382 178.316 176.870 0.105 0.000 1.129 535 L CA -0.214 54.565 54.840 -0.100 0.000 0.839 535 L CB 0.764 42.744 42.059 -0.132 0.000 1.133 535 L HN 0.862 nan 8.230 nan 0.000 0.453 536 C N 0.022 119.364 119.300 0.070 0.000 2.464 536 C HA 0.175 4.635 4.460 0.000 0.000 0.278 536 C C 0.679 175.784 174.990 0.191 0.000 1.375 536 C CA -0.147 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 -0.900 119.333 120.200 0.056 0.000 2.304 537 E HA 0.635 4.985 4.350 0.000 0.000 0.277 537 E C -1.272 175.245 176.600 -0.139 0.000 0.898 537 E CA -0.398 55.998 56.400 -0.005 0.000 0.764 537 E CB 2.035 31.486 29.700 -0.414 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 -0.733 175.324 175.900 0.262 0.000 1.179 538 Y CA -0.891 57.204 58.100 -0.007 0.000 1.050 538 Y CB 0.978 39.312 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 -0.247 177.453 177.584 0.194 0.000 1.429 539 A CA 1.075 53.154 52.037 0.070 0.000 0.738 539 A CB -2.499 16.420 19.000 -0.135 0.000 1.149 539 A HN 1.114 nan 8.150 nan 0.000 0.364 540 H N 0.551 119.763 119.070 0.237 0.000 3.257 540 H HA 0.159 4.715 4.556 0.000 0.000 0.256 540 H C 1.268 176.638 175.328 0.071 0.000 0.885 540 H CA 0.800 56.982 56.048 0.223 0.000 1.406 540 H CB 0.385 30.154 29.762 0.012 0.000 1.506 540 H HN 0.840 nan 8.280 nan 0.000 0.527 541 A N 6.452 129.144 122.820 -0.214 0.000 2.416 541 A HA 0.030 4.350 4.320 0.000 0.000 0.252 541 A C 0.982 178.387 177.584 -0.299 0.000 1.353 541 A CA -0.342 51.550 52.037 -0.242 0.000 0.996 541 A CB -0.536 18.316 19.000 -0.246 0.000 0.961 541 A HN 0.790 nan 8.150 nan 0.000 0.523 542 M N 1.312 120.700 119.600 -0.353 0.000 2.220 542 M HA 0.425 4.905 4.480 0.000 0.000 0.343 542 M C 0.982 177.141 176.300 -0.235 0.000 1.470 542 M CA 1.239 56.368 55.300 -0.286 0.000 1.161 542 M CB -0.372 32.090 32.600 -0.230 0.000 1.737 542 M HN 0.771 nan 8.290 nan 0.000 0.464 543 G N 4.508 113.159 108.800 -0.248 0.000 2.550 543 G HA2 -0.339 3.621 3.960 0.000 0.000 0.277 543 G HA3 -0.339 3.621 3.960 0.000 0.000 0.277 543 G C -0.186 174.285 174.900 -0.715 0.000 1.190 543 G CA 0.070 44.888 45.100 -0.470 0.000 0.971 543 G HN 0.826 nan 8.290 nan 0.000 0.559 544 N N 1.497 119.602 118.700 -0.992 0.000 2.466 544 N HA 0.506 5.246 4.740 0.000 0.000 0.263 544 N C 0.023 175.284 175.510 -0.415 0.000 1.178 544 N CA 1.111 53.699 53.050 -0.770 0.000 0.983 544 N CB 0.421 38.461 38.487 -0.745 0.000 1.331 544 N HN 0.748 nan 8.380 nan 0.000 0.500 545 S N 1.702 117.237 115.700 -0.275 0.000 3.144 545 S HA 0.580 5.050 4.470 0.000 0.000 0.325 545 S C -0.112 174.412 174.600 -0.127 0.000 1.161 545 S CA -0.388 57.702 58.200 -0.184 0.000 0.920 545 S CB 0.163 63.273 63.200 -0.150 0.000 1.340 545 S HN 0.377 nan 8.310 nan 0.000 0.681 546 L N 0.207 121.383 121.223 -0.078 0.000 4.613 546 L HA -0.070 4.270 4.340 0.000 0.000 0.409 546 L C 0.451 177.349 176.870 0.046 0.000 1.100 546 L CA 0.915 55.731 54.840 -0.040 0.000 1.029 546 L CB -1.729 40.226 42.059 -0.174 0.000 2.137 546 L HN 0.694 nan 8.230 nan 0.000 0.713 547 G N -0.759 108.041 108.800 -0.000 0.000 2.343 547 G HA2 0.486 4.446 3.960 0.000 0.000 0.254 547 G HA3 0.486 4.446 3.960 0.000 0.000 0.254 547 G C 1.214 176.157 174.900 0.070 0.000 1.277 547 G CA 0.191 45.276 45.100 -0.025 0.000 0.909 547 G HN 1.382 nan 8.290 nan 0.000 0.502 548 G N 1.874 110.729 108.800 0.091 0.000 2.179 548 G HA2 -0.293 3.667 3.960 0.000 0.000 0.220 548 G HA3 -0.293 3.667 3.960 0.000 0.000 0.220 548 G C 1.026 176.127 174.900 0.336 0.000 0.990 548 G CA 0.642 45.847 45.100 0.176 0.000 0.646 548 G HN 0.736 nan 8.290 nan 0.000 0.517 549 F N 2.070 122.149 119.950 0.216 0.000 2.087 549 F HA 0.015 4.542 4.527 0.000 0.000 0.299 549 F C 2.740 178.772 175.800 0.387 0.000 1.100 549 F CA 2.853 61.050 58.000 0.328 0.000 1.226 549 F CB -0.532 38.587 39.000 0.199 0.000 0.983 549 F HN 0.382 nan 8.300 nan 0.000 0.479 550 A N -0.192 122.787 122.820 0.265 0.000 1.978 550 A HA -0.226 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 1.719 53.841 52.037 0.141 0.000 0.636 550 A CB -0.692 18.397 19.000 0.149 0.000 0.810 550 A HN 0.421 nan 8.150 nan 0.000 0.448 551 K N -1.388 119.008 120.400 -0.006 0.000 2.044 551 K HA -0.215 4.105 4.320 0.000 0.000 0.210 551 K C 1.844 178.203 176.600 -0.401 0.000 1.049 551 K CA 2.049 58.239 56.287 -0.162 0.000 0.927 551 K CB -0.435 31.948 32.500 -0.196 0.000 0.713 551 K HN 0.665 nan 8.250 nan 0.000 0.443 552 Y N -0.518 119.493 120.300 -0.482 0.000 2.097 552 Y HA -0.278 4.272 4.550 0.000 0.000 0.282 552 Y C 2.296 177.185 175.900 -1.685 0.000 1.152 552 Y CA 1.541 58.977 58.100 -1.107 0.000 1.136 552 Y CB -0.577 37.243 38.460 -1.066 0.000 0.975 552 Y HN 0.183 nan 8.280 nan 0.000 0.498 553 W N 0.366 121.227 121.300 -0.732 0.000 2.338 553 W HA -0.254 4.406 4.660 0.000 0.000 0.304 553 W C 2.714 179.044 176.519 -0.314 0.000 1.212 553 W CA 2.043 59.091 57.345 -0.495 0.000 1.264 553 W CB -0.742 28.514 29.460 -0.339 0.000 1.142 553 W HN 0.153 nan 8.180 nan 0.000 0.512 554 Q N 0.203 119.895 119.800 -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 1.932 57.675 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 0.359 123.003 122.820 -0.294 0.000 1.902 555 A HA -0.136 4.184 4.320 0.000 0.000 0.217 555 A C 1.864 179.404 177.584 -0.074 0.000 1.181 555 A CA 1.127 53.035 52.037 -0.214 0.000 0.623 555 A CB -1.072 17.675 19.000 -0.422 0.000 0.818 555 A HN 0.536 nan 8.150 nan 0.000 0.443 556 F N -0.298 119.467 119.950 -0.308 0.000 2.120 556 F HA -0.242 4.285 4.527 0.000 0.000 0.300 556 F C 2.756 178.451 175.800 -0.175 0.000 1.095 556 F CA 1.227 59.015 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 0.157 nan 8.300 nan 0.000 0.480 557 R N 0.036 120.590 120.500 0.089 0.000 2.148 557 R HA -0.182 4.158 4.340 0.000 0.000 0.227 557 R C 2.066 178.399 176.300 0.054 0.000 1.103 557 R CA 1.278 57.416 56.100 0.064 0.000 0.983 557 R CB -0.381 29.952 30.300 0.055 0.000 0.874 557 R HN 0.429 nan 8.270 nan 0.000 0.451 558 Q N -0.418 119.444 119.800 0.103 0.000 2.376 558 Q HA -0.016 4.324 4.340 0.000 0.000 0.206 558 Q C -0.583 175.440 176.000 0.040 0.000 0.921 558 Q CA 0.532 56.380 55.803 0.074 0.000 0.911 558 Q CB 0.535 29.332 28.738 0.100 0.000 1.032 558 Q HN 0.177 nan 8.270 nan 0.000 0.510 559 Y N 0.333 120.609 120.300 -0.040 0.000 2.334 559 Y HA 0.312 4.862 4.550 0.000 0.000 0.336 559 Y C -1.807 174.064 175.900 -0.049 0.000 0.960 559 Y CA -2.913 55.163 58.100 -0.039 0.000 1.164 559 Y CB 1.507 39.946 38.460 -0.034 0.000 1.155 559 Y HN 0.072 nan 8.280 nan 0.000 0.478 560 P HA -0.222 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 1.886 64.988 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 0.543 176.819 176.300 -0.039 0.000 1.029 561 R CA 0.242 56.340 56.100 -0.003 0.000 1.018 561 R CB -0.555 29.754 30.300 0.015 0.000 0.888 561 R HN 0.289 nan 8.270 nan 0.000 0.471 562 L N 2.041 123.255 121.223 -0.014 0.000 2.282 562 L HA 0.131 4.471 4.340 0.000 0.000 0.287 562 L C 0.683 177.414 176.870 -0.232 0.000 1.075 562 L CA 0.107 54.893 54.840 -0.090 0.000 0.839 562 L CB 1.181 43.256 42.059 0.026 0.000 1.219 562 L HN 0.023 nan 8.230 nan 0.000 0.434 563 Q N 2.877 122.472 119.800 -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 0.102 55.659 55.803 -0.409 0.000 0.984 563 Q CB 0.977 29.563 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 -1.264 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 -1.765 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 -1.873 172.898 174.900 -0.214 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 0.492 120.668 119.950 0.376 0.000 2.449 566 F HA 0.542 5.069 4.527 0.000 0.000 0.342 566 F C 0.676 176.751 175.800 0.459 0.000 1.127 566 F CA -0.773 57.472 58.000 0.408 0.000 0.975 566 F CB 2.235 41.373 39.000 0.230 0.000 1.146 566 F HN 0.253 nan 8.300 nan 0.000 0.444 567 V N 3.172 123.380 119.914 0.490 0.000 2.811 567 V HA -0.051 4.069 4.120 0.000 0.000 0.302 567 V C -0.402 175.840 176.094 0.247 0.000 1.063 567 V CA -0.439 61.961 62.300 0.165 0.000 1.088 567 V CB 1.009 32.904 31.823 0.119 0.000 0.982 567 V HN 0.764 nan 8.190 nan 0.000 0.485 568 W N 6.472 127.830 121.300 0.097 0.000 2.336 568 W HA 0.471 5.131 4.660 0.000 0.000 0.315 568 W C -0.925 175.588 176.519 -0.010 0.000 1.016 568 W CA -0.627 56.800 57.345 0.137 0.000 1.318 568 W CB 1.379 31.054 29.460 0.357 0.000 1.247 568 W HN 0.901 nan 8.180 nan 0.000 0.414 569 D N 3.056 123.120 120.400 -0.560 0.000 2.752 569 D HA 0.071 4.711 4.640 0.000 0.000 0.313 569 D C 0.666 176.728 176.300 -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 0.447 nan 8.370 nan 0.000 0.515 570 W N 0.726 121.696 121.300 -0.551 0.000 2.322 570 W HA -0.007 4.653 4.660 0.000 0.000 0.326 570 W C -0.025 176.243 176.519 -0.419 0.000 1.224 570 W CA 1.516 58.592 57.345 -0.448 0.000 1.257 570 W CB 0.134 29.364 29.460 -0.383 0.000 1.174 570 W HN 0.216 nan 8.180 nan 0.000 0.460 571 V N 0.914 120.623 119.914 -0.343 0.000 2.769 571 V HA 0.273 4.393 4.120 0.000 0.000 0.312 571 V C -0.499 175.384 176.094 -0.351 0.000 1.061 571 V CA -1.174 60.851 62.300 -0.457 0.000 0.931 571 V CB 1.385 33.060 31.823 -0.248 0.000 1.010 571 V HN -0.072 nan 8.190 nan 0.000 0.433 572 D N 2.049 122.258 120.400 -0.319 0.000 2.443 572 D HA 0.103 4.743 4.640 0.000 0.000 0.239 572 D C 0.091 176.223 176.300 -0.281 0.000 1.136 572 D CA 0.365 54.225 54.000 -0.233 0.000 0.879 572 D CB 1.120 41.881 40.800 -0.066 0.000 1.195 572 D HN 0.630 nan 8.370 nan 0.000 0.443 573 Q N 0.979 120.560 119.800 -0.365 0.000 3.207 573 Q HA 0.150 4.491 4.340 0.000 0.000 0.335 573 Q C -0.369 175.625 176.000 -0.010 0.000 1.374 573 Q CA -0.325 55.089 55.803 -0.649 0.000 1.023 573 Q CB 0.189 28.611 28.738 -0.526 0.000 1.576 573 Q HN 0.359 nan 8.270 nan 0.000 0.515 574 S N -0.010 115.793 115.700 0.172 0.000 2.549 574 S HA 0.689 5.159 4.470 0.000 0.000 0.297 574 S C -0.246 174.548 174.600 0.325 0.000 1.115 574 S CA -0.834 57.574 58.200 0.347 0.000 1.059 574 S CB 1.645 65.009 63.200 0.273 0.000 1.046 574 S HN 0.312 nan 8.310 nan 0.000 0.506 575 L N 1.721 123.056 121.223 0.186 0.000 2.330 575 L HA 0.593 4.933 4.340 0.000 0.000 0.271 575 L C -0.423 176.366 176.870 -0.136 0.000 1.013 575 L CA -1.098 53.713 54.840 -0.049 0.000 0.816 575 L CB 1.433 43.334 42.059 -0.265 0.000 1.287 575 L HN 0.626 nan 8.230 nan 0.000 0.435 576 I N 1.728 122.157 120.570 -0.236 0.000 2.472 576 I HA 0.253 4.423 4.170 0.000 0.000 0.290 576 I C 0.056 175.792 176.117 -0.635 0.000 1.016 576 I CA 0.158 61.194 61.300 -0.441 0.000 1.348 576 I CB 0.889 38.649 38.000 -0.400 0.000 1.417 576 I HN 0.518 nan 8.210 nan 0.000 0.521 577 K N 4.306 124.024 120.400 -1.136 0.000 2.466 577 K HA 0.585 4.905 4.320 0.000 0.000 0.260 577 K C -1.778 174.049 176.600 -1.288 0.000 1.011 577 K CA -0.872 54.699 56.287 -1.195 0.000 0.871 577 K CB 2.315 33.815 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 -0.028 176.014 175.900 0.237 0.000 0.987 578 Y CA -1.229 56.862 58.100 -0.015 0.000 1.044 578 Y CB 1.227 39.678 38.460 -0.014 0.000 1.245 578 Y HN 0.640 nan 8.280 nan 0.000 0.461 579 D N -0.374 120.306 120.400 0.466 0.000 2.432 579 D HA 0.158 4.798 4.640 0.000 0.000 0.258 579 D C 0.470 176.889 176.300 0.199 0.000 1.146 579 D CA -0.567 53.616 54.000 0.305 0.000 1.015 579 D CB 0.757 41.673 40.800 0.193 0.000 1.107 579 D HN 0.539 nan 8.370 nan 0.000 0.529 580 E N -0.020 120.251 120.200 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 1.367 57.809 56.400 0.069 0.000 0.806 580 E CB -0.666 29.057 29.700 0.039 0.000 0.738 580 E HN 0.427 nan 8.360 nan 0.000 0.459 581 N N 0.529 119.275 118.700 0.078 0.000 2.434 581 N HA 0.115 4.855 4.740 0.000 0.000 0.196 581 N C 0.636 176.200 175.510 0.090 0.000 1.183 581 N CA 0.827 53.918 53.050 0.068 0.000 0.849 581 N CB 0.306 38.828 38.487 0.058 0.000 0.992 581 N HN 0.316 nan 8.380 nan 0.000 0.460 582 G N 0.724 109.595 108.800 0.118 0.000 2.273 582 G HA2 -0.286 3.674 3.960 0.000 0.000 0.280 582 G HA3 -0.286 3.674 3.960 0.000 0.000 0.280 582 G C -0.468 174.613 174.900 0.303 0.000 1.047 582 G CA -0.261 44.918 45.100 0.131 0.000 0.869 582 G HN 0.307 nan 8.290 nan 0.000 0.502 583 N N 1.024 119.921 118.700 0.329 0.000 2.421 583 N HA 0.489 5.229 4.740 0.000 0.000 0.285 583 N C -2.463 173.223 175.510 0.294 0.000 1.027 583 N CA -1.484 51.744 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 0.298 nan 4.420 nan 0.000 0.279 584 P C -0.559 176.658 177.300 -0.139 0.000 1.239 584 P CA -0.315 62.505 63.100 -0.468 0.000 0.789 584 P CB 0.629 32.116 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 -1.491 174.842 176.519 -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 1.893 117.662 115.700 0.114 0.000 2.481 586 S HA 0.556 5.026 4.470 0.000 0.000 0.276 586 S C 0.198 174.980 174.600 0.303 0.000 1.247 586 S CA -0.245 58.025 58.200 0.117 0.000 1.053 586 S CB 0.975 64.280 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 -0.822 51.317 52.037 0.170 0.000 0.807 587 A CB 0.704 19.541 19.000 -0.271 0.000 1.250 587 A HN 0.870 nan 8.150 nan 0.000 0.468 588 Y N -0.763 119.893 120.300 0.594 0.000 2.965 588 Y HA 0.766 5.316 4.550 0.000 0.000 0.310 588 Y C 0.620 176.900 175.900 0.633 0.000 1.480 588 Y CA -1.362 57.072 58.100 0.557 0.000 1.094 588 Y CB -0.019 38.591 38.460 0.250 0.000 1.377 588 Y HN 0.960 nan 8.280 nan 0.000 0.514 589 G N 0.015 109.214 108.800 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 1.003 176.243 174.900 0.568 0.000 1.240 589 G CA 0.505 45.931 45.100 0.543 0.000 0.896 589 G HN 2.021 nan 8.290 nan 0.000 0.496 590 G N 2.279 111.384 108.800 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 0.717 46.049 45.100 0.388 0.000 0.625 590 G HN 0.669 nan 8.290 nan 0.000 0.532 591 D N -0.359 120.289 120.400 0.413 0.000 2.392 591 D HA 0.145 4.785 4.640 0.000 0.000 0.228 591 D C 1.250 177.408 176.300 -0.236 0.000 1.003 591 D CA 0.557 54.629 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 -1.068 118.996 119.950 0.190 0.000 2.735 592 F HA 0.313 4.840 4.527 0.000 0.000 0.308 592 F C 1.740 177.622 175.800 0.137 0.000 1.112 592 F CA -0.295 57.782 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 0.747 109.707 108.800 0.267 0.000 2.155 593 G HA2 -0.297 3.663 3.960 0.000 0.000 0.257 593 G HA3 -0.297 3.663 3.960 0.000 0.000 0.257 593 G C -0.140 174.902 174.900 0.238 0.000 0.983 593 G CA 0.306 45.530 45.100 0.207 0.000 0.676 593 G HN 0.431 nan 8.290 nan 0.000 0.528 594 D N 0.447 121.043 120.400 0.327 0.000 2.425 594 D HA 0.429 5.069 4.640 0.000 0.000 0.247 594 D C 0.009 176.441 176.300 0.219 0.000 1.147 594 D CA 0.533 54.713 54.000 0.299 0.000 0.879 594 D CB 1.188 42.223 40.800 0.393 0.000 1.179 594 D HN 0.059 nan 8.370 nan 0.000 0.456 595 T N 2.332 116.986 114.554 0.166 0.000 2.952 595 T HA 0.482 4.832 4.350 0.000 0.000 0.305 595 T C -2.360 172.384 174.700 0.073 0.000 1.064 595 T CA -0.949 61.215 62.100 0.107 0.000 1.008 595 T CB 1.975 70.900 68.868 0.095 0.000 1.078 595 T HN 0.382 nan 8.240 nan 0.000 0.459 596 P HA 0.531 nan 4.420 nan 0.000 0.281 596 P C -1.150 176.139 177.300 -0.018 0.000 1.281 596 P CA -0.724 62.377 63.100 0.001 0.000 0.811 596 P CB 0.788 32.462 31.700 -0.044 0.000 1.154 597 N N -1.165 117.524 118.700 -0.019 0.000 2.610 597 N HA 0.171 4.911 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 1.533 40.094 38.487 0.124 0.000 1.521 597 N HN 0.202 nan 8.380 nan 0.000 0.497 598 D N 0.013 120.353 120.400 -0.101 0.000 2.462 598 D HA 0.187 4.827 4.640 0.000 0.000 0.221 598 D C 0.372 176.851 176.300 0.298 0.000 1.173 598 D CA -0.196 53.808 54.000 0.007 0.000 0.831 598 D CB 0.941 41.612 40.800 -0.215 0.000 1.001 598 D HN 0.552 nan 8.370 nan 0.000 0.499 599 R N 0.116 120.826 120.500 0.349 0.000 3.853 599 R HA -0.333 4.007 4.340 0.000 0.000 0.440 599 R C 1.389 177.720 176.300 0.053 0.000 0.241 599 R CA 1.822 58.125 56.100 0.339 0.000 1.395 599 R CB -1.335 29.096 30.300 0.218 0.000 0.984 599 R HN 0.052 nan 8.270 nan 0.000 0.570 600 Q N 0.268 119.801 119.800 -0.445 0.000 2.291 600 Q HA -0.028 4.312 4.340 0.000 0.000 0.206 600 Q C 1.717 177.536 176.000 -0.302 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 1.091 120.914 119.950 -0.210 0.000 2.214 601 F HA -0.300 4.227 4.527 0.000 0.000 0.302 601 F C 1.690 177.397 175.800 -0.156 0.000 1.063 601 F CA 1.226 59.184 58.000 -0.069 0.000 1.319 601 F CB -0.232 38.814 39.000 0.078 0.000 1.046 601 F HN 0.357 nan 8.300 nan 0.000 0.505 602 C N -1.348 117.578 119.300 -0.623 0.000 2.576 602 C HA 0.223 4.683 4.460 0.000 0.000 0.267 602 C C 0.973 175.702 174.990 -0.436 0.000 1.364 602 C CA -0.522 58.025 59.018 -0.786 0.000 1.723 602 C CB -1.935 24.887 27.740 -1.529 0.000 1.778 602 C HN 0.200 nan 8.230 nan 0.000 0.572 603 M N 2.964 122.350 119.600 -0.356 0.000 2.036 603 M HA 0.340 4.820 4.480 0.000 0.000 0.337 603 M C -0.474 175.657 176.300 -0.281 0.000 1.012 603 M CA 0.244 55.392 55.300 -0.253 0.000 0.962 603 M CB 0.512 33.022 32.600 -0.150 0.000 1.423 603 M HN 0.217 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 -0.380 0.000 0.859 604 N CB 1.349 39.651 38.487 -0.307 0.000 1.260 604 N HN 0.712 nan 8.380 nan 0.000 0.501 605 G N -0.012 108.530 108.800 -0.430 0.000 2.504 605 G HA2 0.449 4.409 3.960 0.000 0.000 0.288 605 G HA3 0.449 4.409 3.960 0.000 0.000 0.288 605 G C 0.889 175.329 174.900 -0.768 0.000 1.182 605 G CA -0.473 44.285 45.100 -0.569 0.000 0.894 605 G HN 0.108 nan 8.290 nan 0.000 0.521 606 L N -0.245 120.521 121.223 -0.762 0.000 2.418 606 L HA 0.155 4.495 4.340 0.000 0.000 0.218 606 L C 0.713 176.907 176.870 -1.128 0.000 1.125 606 L CA 0.275 54.657 54.840 -0.763 0.000 0.835 606 L CB -0.088 41.681 42.059 -0.483 0.000 0.953 606 L HN 0.394 nan 8.230 nan 0.000 0.454 607 V N -5.282 113.870 119.914 -1.269 0.000 3.040 607 V HA 0.461 4.581 4.120 0.000 0.000 0.312 607 V C -0.435 175.170 176.094 -0.815 0.000 1.115 607 V CA -1.243 60.433 62.300 -1.040 0.000 0.998 607 V CB 1.681 32.966 31.823 -0.896 0.000 1.042 607 V HN -0.132 nan 8.190 nan 0.000 0.433 608 F N 1.470 121.268 119.950 -0.254 0.000 2.450 608 F HA 0.544 5.071 4.527 0.000 0.000 0.339 608 F C 1.957 177.664 175.800 -0.155 0.000 1.146 608 F CA 0.414 58.386 58.000 -0.047 0.000 1.267 608 F CB 1.390 40.394 39.000 0.007 0.000 1.178 608 F HN 0.826 nan 8.300 nan 0.000 0.585 609 A N 1.270 124.169 122.820 0.133 0.000 1.997 609 A HA -0.295 4.025 4.320 0.000 0.000 0.221 609 A C 1.537 179.086 177.584 -0.059 0.000 1.172 609 A CA 2.185 54.239 52.037 0.028 0.000 0.645 609 A CB -1.112 17.943 19.000 0.092 0.000 0.813 609 A HN 0.862 nan 8.150 nan 0.000 0.454 610 D N -3.096 117.290 120.400 -0.024 0.000 2.336 610 D HA 0.200 4.840 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 53.975 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 -0.621 175.656 176.300 -0.039 0.000 1.146 611 R CA 1.025 57.069 56.100 -0.093 0.000 0.778 611 R CB -3.267 27.013 30.300 -0.032 0.000 1.289 611 R HN 0.562 nan 8.270 nan 0.000 0.454 612 T N -2.342 112.250 114.554 0.064 0.000 2.797 612 T HA 0.729 5.079 4.350 0.000 0.000 0.279 612 T C -2.513 172.334 174.700 0.245 0.000 0.991 612 T CA -2.451 59.739 62.100 0.150 0.000 0.979 612 T CB 2.606 71.549 68.868 0.125 0.000 0.943 612 T HN -0.180 nan 8.240 nan 0.000 0.444 613 P HA 0.145 nan 4.420 nan 0.000 0.268 613 P C -0.143 177.201 177.300 0.073 0.000 1.205 613 P CA -0.082 62.997 63.100 -0.035 0.000 0.771 613 P CB 0.238 31.928 31.700 -0.016 0.000 0.858 614 H N 2.943 121.800 119.070 -0.356 0.000 2.495 614 H HA 0.159 4.715 4.556 0.000 0.000 0.350 614 H C -1.260 173.958 175.328 -0.184 0.000 1.202 614 H CA -2.084 53.746 56.048 -0.363 0.000 1.322 614 H CB 0.583 30.101 29.762 -0.407 0.000 1.544 614 H HN 0.300 nan 8.280 nan 0.000 0.565 615 P HA -0.120 nan 4.420 nan 0.000 0.219 615 P C 1.243 178.539 177.300 -0.007 0.000 1.150 615 P CA 1.274 64.362 63.100 -0.020 0.000 0.814 615 P CB -0.035 31.649 31.700 -0.026 0.000 0.787 616 A N 0.045 122.861 122.820 -0.006 0.000 1.986 616 A HA -0.216 4.104 4.320 0.000 0.000 0.220 616 A C 2.119 179.646 177.584 -0.096 0.000 1.171 616 A CA 1.542 53.539 52.037 -0.065 0.000 0.640 616 A CB -1.744 17.196 19.000 -0.101 0.000 0.811 616 A HN 0.168 nan 8.150 nan 0.000 0.451 617 L N -0.040 121.140 121.223 -0.071 0.000 2.137 617 L HA -0.189 4.151 4.340 0.000 0.000 0.213 617 L C 2.436 179.332 176.870 0.043 0.000 1.085 617 L CA 2.742 57.567 54.840 -0.025 0.000 0.760 617 L CB -0.807 41.233 42.059 -0.031 0.000 0.893 617 L HN 0.433 nan 8.230 nan 0.000 0.434 618 T N -1.519 113.067 114.554 0.053 0.000 2.812 618 T HA -0.162 4.188 4.350 0.000 0.000 0.264 618 T C 1.697 176.490 174.700 0.155 0.000 1.042 618 T CA 1.202 63.387 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 1.709 121.948 120.200 0.065 0.000 2.085 619 E HA -0.100 4.250 4.350 0.000 0.000 0.194 619 E C 2.229 178.836 176.600 0.011 0.000 0.994 619 E CA 1.404 57.848 56.400 0.074 0.000 0.801 619 E CB -0.535 29.175 29.700 0.018 0.000 0.743 619 E HN 0.447 nan 8.360 nan 0.000 0.453 620 A N 0.908 123.624 122.820 -0.174 0.000 1.877 620 A HA -0.250 4.070 4.320 0.000 0.000 0.216 620 A C 2.179 179.661 177.584 -0.169 0.000 1.186 620 A CA 2.046 53.932 52.037 -0.252 0.000 0.620 620 A CB -0.700 18.132 19.000 -0.280 0.000 0.822 620 A HN 0.290 nan 8.150 nan 0.000 0.443 621 K N -1.249 119.126 120.400 -0.042 0.000 2.074 621 K HA -0.303 4.017 4.320 0.000 0.000 0.209 621 K C 2.060 178.573 176.600 -0.146 0.000 1.048 621 K CA 2.121 58.397 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 0.310 119.218 119.070 -0.271 0.000 2.326 622 H HA -0.019 4.537 4.556 0.000 0.000 0.301 622 H C 1.919 176.973 175.328 -0.456 0.000 1.081 622 H CA 1.817 57.517 56.048 -0.580 0.000 1.334 622 H CB 0.012 29.439 29.762 -0.557 0.000 1.385 622 H HN 0.235 nan 8.280 nan 0.000 0.504 623 Q N 0.235 119.760 119.800 -0.459 0.000 2.291 623 Q HA -0.105 4.235 4.340 0.000 0.000 0.206 623 Q C 1.653 177.114 176.000 -0.898 0.000 0.976 623 Q CA 1.239 56.682 55.803 -0.601 0.000 0.875 623 Q CB 0.015 28.512 28.738 -0.402 0.000 0.927 623 Q HN 0.731 nan 8.270 nan 0.000 0.450 624 Q N 0.755 120.022 119.800 -0.889 0.000 2.360 624 Q HA 0.027 4.367 4.340 0.000 0.000 0.202 624 Q C 0.119 175.570 176.000 -0.915 0.000 0.915 624 Q CA -0.244 54.904 55.803 -1.092 0.000 0.943 624 Q CB 0.231 28.354 28.738 -1.025 0.000 1.064 624 Q HN 0.456 nan 8.270 nan 0.000 0.511 625 Q N -0.413 118.991 119.800 -0.660 0.000 2.428 625 Q HA -0.038 4.302 4.340 0.000 0.000 0.276 625 Q C -0.269 175.331 176.000 -0.667 0.000 1.059 625 Q CA 0.323 55.844 55.803 -0.470 0.000 0.923 625 Q CB 0.322 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 -0.070 119.625 119.950 -0.425 0.000 2.797 626 F HA 0.261 4.788 4.527 0.000 0.000 0.302 626 F C -0.108 175.120 175.800 -0.953 0.000 1.130 626 F CA -0.001 57.514 58.000 -0.809 0.000 1.387 626 F CB 0.387 38.570 39.000 -1.362 0.000 1.107 626 F HN 0.352 nan 8.300 nan 0.000 0.577 627 F N 0.210 120.068 119.950 -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 -1.037 56.778 58.000 -0.308 0.000 0.949 627 F CB 1.276 40.111 39.000 -0.276 0.000 1.142 627 F HN -0.320 nan 8.300 nan 0.000 0.457 628 Q N 3.133 122.661 119.800 -0.453 0.000 2.365 628 Q HA 0.525 4.865 4.340 0.000 0.000 0.269 628 Q C -1.432 174.223 176.000 -0.575 0.000 1.061 628 Q CA -0.662 54.875 55.803 -0.443 0.000 0.816 628 Q CB 3.047 31.676 28.738 -0.182 0.000 1.325 628 Q HN 0.539 nan 8.270 nan 0.000 0.446 629 F N 0.347 120.415 119.950 0.197 0.000 2.522 629 F HA 0.601 5.128 4.527 0.000 0.000 0.324 629 F C 0.496 176.520 175.800 0.374 0.000 1.077 629 F CA -0.852 57.338 58.000 0.316 0.000 0.944 629 F CB 1.988 41.286 39.000 0.497 0.000 1.175 629 F HN 0.101 nan 8.300 nan 0.000 0.468 630 R N 1.843 122.657 120.500 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 55.146 56.100 0.345 0.000 0.891 630 R CB 2.651 33.058 30.300 0.179 0.000 1.188 630 R HN 0.610 nan 8.270 nan 0.000 0.450 631 L N 1.505 122.701 121.223 -0.044 0.000 2.313 631 L HA 0.476 4.816 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 -1.216 0.000 1.236 631 L HN 0.468 nan 8.230 nan 0.000 0.419 632 S N 3.902 119.479 115.700 -0.205 0.000 2.774 632 S HA 0.696 5.166 4.470 0.000 0.000 0.297 632 S C 0.374 174.889 174.600 -0.141 0.000 1.143 632 S CA 0.225 58.344 58.200 -0.135 0.000 1.090 632 S CB 0.224 63.380 63.200 -0.073 0.000 1.019 632 S HN 1.476 nan 8.310 nan 0.000 0.482 633 G N 4.248 112.963 108.800 -0.142 0.000 2.574 633 G HA2 -0.286 3.674 3.960 0.000 0.000 0.301 633 G HA3 -0.286 3.674 3.960 0.000 0.000 0.301 633 G C 0.381 175.181 174.900 -0.168 0.000 1.166 633 G CA 0.588 45.611 45.100 -0.130 0.000 0.971 633 G HN 0.645 nan 8.290 nan 0.000 0.542 634 Q N 1.242 120.951 119.800 -0.152 0.000 2.198 634 Q HA 0.239 4.579 4.340 0.000 0.000 0.209 634 Q C -0.066 175.815 176.000 -0.197 0.000 0.848 634 Q CA 0.608 56.301 55.803 -0.182 0.000 0.974 634 Q CB 0.707 29.356 28.738 -0.149 0.000 1.115 634 Q HN 0.548 nan 8.270 nan 0.000 0.494 635 T N 0.746 115.194 114.554 -0.177 0.000 2.797 635 T HA 0.522 4.872 4.350 0.000 0.000 0.279 635 T C 0.022 174.623 174.700 -0.165 0.000 0.991 635 T CA -0.400 61.611 62.100 -0.147 0.000 0.979 635 T CB 1.575 70.387 68.868 -0.092 0.000 0.943 635 T HN 0.034 nan 8.240 nan 0.000 0.444 636 I N 2.398 122.893 120.570 -0.125 0.000 2.359 636 I HA 0.350 4.520 4.170 0.000 0.000 0.294 636 I C 0.445 176.594 176.117 0.053 0.000 0.987 636 I CA -0.717 60.546 61.300 -0.062 0.000 1.225 636 I CB 1.544 39.535 38.000 -0.015 0.000 1.366 636 I HN 0.632 nan 8.210 nan 0.000 0.466 637 E N 6.378 126.640 120.200 0.103 0.000 2.134 637 E HA 0.476 4.826 4.350 0.000 0.000 0.278 637 E C -1.555 175.156 176.600 0.185 0.000 0.959 637 E CA -0.579 55.892 56.400 0.117 0.000 0.783 637 E CB 1.618 31.366 29.700 0.079 0.000 1.095 637 E HN 0.367 nan 8.360 nan 0.000 0.399 638 V N 3.802 123.802 119.914 0.144 0.000 2.513 638 V HA 0.411 4.531 4.120 0.000 0.000 0.299 638 V C -0.116 176.002 176.094 0.041 0.000 1.035 638 V CA -0.621 61.733 62.300 0.091 0.000 0.889 638 V CB 1.928 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 2.679 117.213 114.554 -0.033 0.000 2.848 639 T HA 0.374 4.724 4.350 0.000 0.000 0.285 639 T C -0.313 174.379 174.700 -0.013 0.000 0.995 639 T CA -0.349 61.742 62.100 -0.015 0.000 0.970 639 T CB 1.646 70.486 68.868 -0.047 0.000 0.976 639 T HN 0.677 nan 8.240 nan 0.000 0.441 640 S N 1.591 117.291 115.700 0.000 0.000 2.480 640 S HA 0.261 4.731 4.470 0.000 0.000 0.286 640 S C 0.618 175.107 174.600 -0.184 0.000 1.180 640 S CA -0.587 57.558 58.200 -0.093 0.000 1.075 640 S CB 0.581 63.802 63.200 0.035 0.000 0.996 640 S HN 0.708 nan 8.310 nan 0.000 0.487 641 E N 3.211 123.202 120.200 -0.349 0.000 2.451 641 E HA 0.100 4.450 4.350 0.000 0.000 0.194 641 E C -0.905 175.531 176.600 -0.273 0.000 1.027 641 E CA -0.075 56.152 56.400 -0.287 0.000 0.914 641 E CB 0.354 29.859 29.700 -0.324 0.000 1.054 641 E HN 0.673 nan 8.360 nan 0.000 0.461 642 Y N 0.450 120.652 120.300 -0.163 0.000 2.319 642 Y HA 0.092 4.642 4.550 0.000 0.000 0.328 642 Y C 1.396 177.144 175.900 -0.254 0.000 1.133 642 Y CA -0.253 57.730 58.100 -0.196 0.000 1.265 642 Y CB 0.977 39.301 38.460 -0.227 0.000 1.218 642 Y HN -0.023 nan 8.280 nan 0.000 0.508 643 L N 1.708 122.788 121.223 -0.238 0.000 2.298 643 L HA 0.019 4.359 4.340 0.000 0.000 0.209 643 L C 0.670 177.088 176.870 -0.752 0.000 1.084 643 L CA 0.933 55.362 54.840 -0.684 0.000 0.816 643 L CB 0.004 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 -0.606 119.363 119.950 0.033 0.000 2.747 644 F HA 0.197 4.724 4.527 0.000 0.000 0.305 644 F C 1.266 177.045 175.800 -0.034 0.000 1.065 644 F CA -0.793 57.196 58.000 -0.018 0.000 1.230 644 F CB 0.363 39.328 39.000 -0.057 0.000 1.027 644 F HN -0.110 nan 8.300 nan 0.000 0.607 645 R N -0.221 120.312 120.500 0.055 0.000 2.674 645 R HA 0.521 4.861 4.340 0.000 0.000 0.266 645 R C -1.114 175.172 176.300 -0.024 0.000 1.016 645 R CA -0.727 55.345 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 -0.160 118.877 119.070 -0.055 0.000 2.483 646 H HA 0.171 4.727 4.556 0.000 0.000 0.338 646 H C -0.168 175.168 175.328 0.014 0.000 1.152 646 H CA -0.322 55.732 56.048 0.010 0.000 1.264 646 H CB 1.414 31.190 29.762 0.024 0.000 1.510 646 H HN 0.748 nan 8.280 nan 0.000 0.530 647 S N 2.172 117.738 115.700 -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 58.147 58.200 0.084 0.000 0.956 647 S CB -0.865 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 0.557 121.075 120.400 0.197 0.000 2.328 648 D HA 0.011 4.651 4.640 0.000 0.000 0.226 648 D C 0.433 176.792 176.300 0.099 0.000 1.066 648 D CA -0.118 53.982 54.000 0.167 0.000 0.861 648 D CB -0.252 40.627 40.800 0.132 0.000 0.912 648 D HN 0.490 nan 8.370 nan 0.000 0.521 649 N N 0.007 118.766 118.700 0.098 0.000 2.622 649 N HA 0.125 4.865 4.740 0.000 0.000 0.293 649 N C -1.581 173.986 175.510 0.094 0.000 1.788 649 N CA -0.247 52.851 53.050 0.079 0.000 0.860 649 N CB 0.276 38.797 38.487 0.057 0.000 1.388 649 N HN -0.069 nan 8.380 nan 0.000 0.496 650 E N 0.089 120.341 120.200 0.086 0.000 2.246 650 E HA 0.447 4.797 4.350 0.000 0.000 0.266 650 E C -1.575 175.054 176.600 0.048 0.000 0.880 650 E CA -0.598 55.836 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 0.541 4.881 4.340 0.000 0.000 0.278 651 L C -1.511 175.423 176.870 0.106 0.000 1.005 651 L CA -0.922 53.974 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 5.127 126.457 121.223 0.178 0.000 2.262 652 L HA 0.446 4.786 4.340 0.000 0.000 0.288 652 L C -0.665 176.421 176.870 0.360 0.000 1.035 652 L CA 0.077 55.051 54.840 0.224 0.000 0.820 652 L CB 0.379 42.566 42.059 0.212 0.000 1.204 652 L HN 0.569 nan 8.230 nan 0.000 0.424 653 H N 5.750 124.879 119.070 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 -0.705 55.363 56.048 0.033 0.000 1.253 653 H CB 0.967 30.714 29.762 -0.025 0.000 1.439 653 H HN 0.706 nan 8.280 nan 0.000 0.479 654 W N 3.430 124.798 121.300 0.114 0.000 2.929 654 W HA 0.588 5.248 4.660 0.000 0.000 0.345 654 W C -1.405 175.152 176.519 0.064 0.000 1.151 654 W CA -1.439 55.962 57.345 0.094 0.000 1.111 654 W CB 1.576 31.082 29.460 0.078 0.000 1.449 654 W HN 0.605 nan 8.180 nan 0.000 0.572 655 M N 1.190 121.145 119.600 0.591 0.000 2.569 655 M HA 0.528 5.008 4.480 0.000 0.000 0.287 655 M C -2.642 173.904 176.300 0.410 0.000 1.130 655 M CA -0.520 54.988 55.300 0.348 0.000 0.885 655 M CB 1.767 34.372 32.600 0.009 0.000 1.759 655 M HN 0.133 nan 8.290 nan 0.000 0.515 656 V N 2.490 122.621 119.914 0.363 0.000 2.495 656 V HA 1.039 5.159 4.120 0.000 0.000 0.298 656 V C -0.187 176.022 176.094 0.193 0.000 1.031 656 V CA 0.021 62.495 62.300 0.291 0.000 0.871 656 V CB 1.173 33.171 31.823 0.293 0.000 0.988 656 V HN 1.135 nan 8.190 nan 0.000 0.432 657 A N 4.171 127.117 122.820 0.209 0.000 2.539 657 A HA 0.899 5.219 4.320 0.000 0.000 0.296 657 A C -1.647 176.070 177.584 0.221 0.000 1.073 657 A CA -0.614 51.518 52.037 0.158 0.000 0.700 657 A CB 1.831 20.877 19.000 0.077 0.000 1.296 657 A HN 0.842 nan 8.150 nan 0.000 0.405 658 L N 1.254 122.572 121.223 0.159 0.000 2.294 658 L HA 0.580 4.920 4.340 0.000 0.000 0.283 658 L C -0.459 176.517 176.870 0.177 0.000 1.015 658 L CA 0.285 55.233 54.840 0.181 0.000 0.831 658 L CB 0.502 42.631 42.059 0.115 0.000 1.217 658 L HN 0.770 nan 8.230 nan 0.000 0.420 659 D N 4.659 125.235 120.400 0.293 0.000 2.733 659 D HA -0.211 4.429 4.640 0.000 0.000 0.232 659 D C 1.171 177.503 176.300 0.053 0.000 1.161 659 D CA 1.656 55.808 54.000 0.252 0.000 0.653 659 D CB -0.992 39.922 40.800 0.191 0.000 1.052 659 D HN 1.179 nan 8.370 nan 0.000 0.424 660 G N -1.380 107.413 108.800 -0.011 0.000 2.254 660 G HA2 -0.344 3.616 3.960 0.000 0.000 0.225 660 G HA3 -0.344 3.616 3.960 0.000 0.000 0.225 660 G C 0.201 175.031 174.900 -0.117 0.000 1.003 660 G CA 0.239 45.230 45.100 -0.182 0.000 0.622 660 G HN 0.429 nan 8.290 nan 0.000 0.507 661 K N 2.436 122.816 120.400 -0.034 0.000 2.285 661 K HA 0.542 4.862 4.320 0.000 0.000 0.286 661 K C -2.554 174.046 176.600 0.001 0.000 1.072 661 K CA -1.888 54.383 56.287 -0.026 0.000 0.913 661 K CB 1.562 34.059 32.500 -0.005 0.000 1.067 661 K HN 0.131 nan 8.250 nan 0.000 0.479 662 P HA 0.078 nan 4.420 nan 0.000 0.276 662 P C -0.219 177.087 177.300 0.010 0.000 1.243 662 P CA -0.073 63.021 63.100 -0.010 0.000 0.768 662 P CB 0.759 32.428 31.700 -0.051 0.000 0.856 663 L N 1.445 122.694 121.223 0.045 0.000 2.642 663 L HA 0.524 4.864 4.340 0.000 0.000 0.233 663 L C 0.862 177.770 176.870 0.062 0.000 1.077 663 L CA 0.209 55.081 54.840 0.053 0.000 0.879 663 L CB 0.212 42.319 42.059 0.080 0.000 1.151 663 L HN 0.368 nan 8.230 nan 0.000 0.495 664 A N 0.164 123.032 122.820 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 20.726 19.000 0.286 0.000 1.278 664 A HN 0.051 nan 8.150 nan 0.000 0.408 665 S N 0.267 115.687 115.700 -0.466 0.000 2.588 665 S HA 0.968 5.438 4.470 0.000 0.000 0.275 665 S C -0.159 173.467 174.600 -1.623 0.000 1.130 665 S CA -0.014 57.548 58.200 -1.064 0.000 0.855 665 S CB 1.614 64.483 63.200 -0.552 0.000 1.116 665 S HN 2.460 nan 8.310 nan 0.000 0.472 666 G N -0.156 107.250 108.800 -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 -2.020 172.347 174.900 -0.889 0.000 1.420 666 G CA -0.705 43.524 45.100 -1.451 0.000 0.796 666 G HN 0.813 nan 8.290 nan 0.000 0.485 667 E N -1.162 118.889 120.200 -0.248 0.000 2.304 667 E HA 0.571 4.921 4.350 0.000 0.000 0.277 667 E C -1.631 175.040 176.600 0.119 0.000 0.898 667 E CA -0.506 55.836 56.400 -0.096 0.000 0.764 667 E CB 2.902 32.481 29.700 -0.201 0.000 1.216 667 E HN 0.355 nan 8.360 nan 0.000 0.419 668 V N 4.770 124.800 119.914 0.194 0.000 2.777 668 V HA 0.463 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 -1.682 60.723 62.300 0.174 0.000 0.917 668 V CB 2.169 34.111 31.823 0.198 0.000 1.018 668 V HN 0.576 nan 8.190 nan 0.000 0.426 669 P HA 0.337 nan 4.420 nan 0.000 0.280 669 P C -0.838 176.520 177.300 0.097 0.000 1.244 669 P CA -0.187 62.975 63.100 0.103 0.000 0.784 669 P CB 1.046 32.801 31.700 0.091 0.000 0.913 670 L N 2.831 124.100 121.223 0.077 0.000 2.350 670 L HA 0.352 4.692 4.340 0.000 0.000 0.275 670 L C 0.476 177.405 176.870 0.099 0.000 1.099 670 L CA 0.199 55.074 54.840 0.059 0.000 0.808 670 L CB 0.625 42.667 42.059 -0.029 0.000 1.149 670 L HN 0.361 nan 8.230 nan 0.000 0.442 671 D N 2.307 122.771 120.400 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 54.005 54.000 0.205 0.000 0.843 671 D CB 0.942 41.879 40.800 0.228 0.000 1.332 671 D HN 0.100 nan 8.370 nan 0.000 0.523 672 V N 0.521 120.302 119.914 -0.221 0.000 2.656 672 V HA 0.930 5.050 4.120 0.000 0.000 0.307 672 V C 0.590 176.380 176.094 -0.507 0.000 1.051 672 V CA -1.337 60.850 62.300 -0.188 0.000 0.893 672 V CB 1.456 33.296 31.823 0.027 0.000 0.999 672 V HN 0.454 nan 8.190 nan 0.000 0.426 673 A N 4.974 127.698 122.820 -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 -1.723 50.295 52.037 -0.030 0.000 0.807 673 A CB -0.039 19.033 19.000 0.121 0.000 1.047 673 A HN 0.724 nan 8.150 nan 0.000 0.487 674 P HA -0.033 nan 4.420 nan 0.000 0.261 674 P C -0.429 176.864 177.300 -0.012 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 -1.223 118.556 119.800 -0.035 0.000 2.406 675 Q HA -0.185 4.156 4.340 0.000 0.000 0.236 675 Q C 0.695 176.684 176.000 -0.018 0.000 0.799 675 Q CA 1.490 57.265 55.803 -0.047 0.000 1.286 675 Q CB -2.473 26.230 28.738 -0.060 0.000 1.615 675 Q HN 0.757 nan 8.270 nan 0.000 0.621 676 G N 0.230 109.032 108.800 0.003 0.000 2.552 676 G HA2 0.594 4.554 3.960 0.000 0.000 0.318 676 G HA3 0.594 4.554 3.960 0.000 0.000 0.318 676 G C -0.514 174.403 174.900 0.028 0.000 1.240 676 G CA -0.688 44.423 45.100 0.019 0.000 1.002 676 G HN -0.027 nan 8.290 nan 0.000 0.493 677 K N -0.408 120.014 120.400 0.035 0.000 2.267 677 K HA 0.467 4.788 4.320 0.000 0.000 0.246 677 K C -0.869 175.765 176.600 0.056 0.000 0.954 677 K CA -0.570 55.743 56.287 0.044 0.000 0.824 677 K CB 2.373 34.894 32.500 0.034 0.000 1.167 677 K HN 0.556 nan 8.250 nan 0.000 0.431 678 Q N 3.173 123.014 119.800 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 -0.639 55.208 55.803 0.073 0.000 0.798 678 Q CB 1.353 30.140 28.738 0.082 0.000 1.286 678 Q HN 0.532 nan 8.270 nan 0.000 0.435 679 L N 5.058 126.314 121.223 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 -0.761 54.103 54.840 0.041 0.000 0.804 679 L CB 1.186 43.258 42.059 0.022 0.000 1.195 679 L HN 0.627 nan 8.230 nan 0.000 0.428 680 I N 2.812 123.396 120.570 0.022 0.000 2.439 680 I HA 0.249 4.419 4.170 0.000 0.000 0.285 680 I C -0.251 175.832 176.117 -0.056 0.000 1.021 680 I CA -0.700 60.601 61.300 0.002 0.000 1.091 680 I CB 2.105 40.122 38.000 0.027 0.000 1.242 680 I HN 0.492 nan 8.210 nan 0.000 0.439 681 E N 6.511 126.680 120.200 -0.051 0.000 2.223 681 E HA 0.411 4.761 4.350 0.000 0.000 0.282 681 E C -0.663 175.860 176.600 -0.128 0.000 1.046 681 E CA -0.315 56.038 56.400 -0.078 0.000 0.857 681 E CB 1.427 31.101 29.700 -0.043 0.000 1.055 681 E HN 0.474 nan 8.360 nan 0.000 0.409 682 L N 6.006 127.118 121.223 -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 -1.945 52.732 54.840 -0.271 0.000 0.804 682 L CB 1.331 43.147 42.059 -0.405 0.000 1.200 682 L HN 0.238 nan 8.230 nan 0.000 0.436 683 P HA 0.030 nan 4.420 nan 0.000 0.272 683 P C -0.477 176.773 177.300 -0.083 0.000 1.223 683 P CA -0.433 62.624 63.100 -0.071 0.000 0.784 683 P CB 0.510 32.215 31.700 0.008 0.000 0.923 684 E N 1.432 121.606 120.200 -0.043 0.000 2.652 684 E HA -0.043 4.307 4.350 0.000 0.000 0.255 684 E C -0.158 176.426 176.600 -0.027 0.000 0.952 684 E CA 0.618 56.996 56.400 -0.038 0.000 0.947 684 E CB 0.110 29.800 29.700 -0.017 0.000 0.912 684 E HN 0.342 nan 8.360 nan 0.000 0.489 685 L N 6.299 127.495 121.223 -0.044 0.000 2.357 685 L HA 0.314 4.654 4.340 0.000 0.000 0.273 685 L C -1.909 174.963 176.870 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 42.706 42.059 -0.055 0.000 1.174 685 L HN 0.323 nan 8.230 nan 0.000 0.443 686 P HA 0.044 nan 4.420 nan 0.000 0.268 686 P C -0.887 176.427 177.300 0.022 0.000 1.204 686 P CA -0.218 62.902 63.100 0.034 0.000 0.768 686 P CB 0.611 32.345 31.700 0.057 0.000 0.842 687 Q N 2.488 122.298 119.800 0.016 0.000 2.647 687 Q HA 0.247 4.587 4.340 0.000 0.000 0.400 687 Q C -2.033 173.976 176.000 0.015 0.000 0.959 687 Q CA -1.708 54.101 55.803 0.010 0.000 1.079 687 Q CB -0.440 28.299 28.738 0.002 0.000 1.351 687 Q HN 0.401 nan 8.270 nan 0.000 0.411 688 P HA -0.158 nan 4.420 nan 0.000 0.268 688 P C 0.102 177.415 177.300 0.022 0.000 1.171 688 P CA 0.413 63.529 63.100 0.027 0.000 0.761 688 P CB 1.162 32.885 31.700 0.037 0.000 0.786 689 E N 0.537 120.750 120.200 0.022 0.000 2.127 689 E HA 0.007 4.357 4.350 0.000 0.000 0.191 689 E C 0.612 177.226 176.600 0.023 0.000 0.964 689 E CA 0.479 56.891 56.400 0.019 0.000 0.832 689 E CB -0.442 29.269 29.700 0.017 0.000 0.790 689 E HN 0.562 nan 8.360 nan 0.000 0.465 690 S N 1.287 117.004 115.700 0.028 0.000 2.537 690 S HA 0.156 4.626 4.470 0.000 0.000 0.280 690 S C 0.404 175.027 174.600 0.039 0.000 1.335 690 S CA 0.161 58.381 58.200 0.034 0.000 1.025 690 S CB 0.518 63.740 63.200 0.037 0.000 0.836 690 S HN 0.291 nan 8.310 nan 0.000 0.523 691 A N 0.999 123.845 122.820 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 0.223 19.253 19.000 0.049 0.000 1.067 691 A HN 1.773 nan 8.150 nan 0.000 0.489 692 G N -0.036 108.804 108.800 0.068 0.000 2.357 692 G HA2 0.324 4.284 3.960 0.000 0.000 0.289 692 G HA3 0.324 4.284 3.960 0.000 0.000 0.289 692 G C -1.381 173.569 174.900 0.083 0.000 1.302 692 G CA -0.881 44.278 45.100 0.098 0.000 0.936 692 G HN 0.839 nan 8.290 nan 0.000 0.513 693 Q N -0.575 119.311 119.800 0.142 0.000 2.293 693 Q HA 0.615 4.955 4.340 0.000 0.000 0.261 693 Q C -0.919 175.180 176.000 0.165 0.000 0.960 693 Q CA -0.761 55.092 55.803 0.084 0.000 0.882 693 Q CB 2.401 31.240 28.738 0.168 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 -0.046 0.000 2.272 694 L HA 0.484 4.824 4.340 0.000 0.000 0.289 694 L C -1.791 175.029 176.870 -0.084 0.000 1.032 694 L CA 0.014 54.876 54.840 0.036 0.000 0.810 694 L CB 0.451 42.507 42.059 -0.006 0.000 1.205 694 L HN 0.567 nan 8.230 nan 0.000 0.422 695 W N 5.424 126.795 121.300 0.117 0.000 2.819 695 W HA 0.567 5.227 4.660 0.000 0.000 0.337 695 W C -1.053 175.577 176.519 0.185 0.000 1.077 695 W CA -0.703 56.735 57.345 0.155 0.000 1.226 695 W CB 1.702 31.281 29.460 0.199 0.000 1.419 695 W HN 0.279 nan 8.180 nan 0.000 0.502 696 L N 3.045 124.568 121.223 0.501 0.000 2.295 696 L HA 0.818 5.158 4.340 0.000 0.000 0.285 696 L C -0.365 176.820 176.870 0.525 0.000 1.035 696 L CA 0.145 55.254 54.840 0.449 0.000 0.806 696 L CB 1.315 43.577 42.059 0.339 0.000 1.214 696 L HN 0.372 nan 8.230 nan 0.000 0.426 697 T N 4.788 119.594 114.554 0.419 0.000 2.886 697 T HA 0.662 5.012 4.350 0.000 0.000 0.292 697 T C -0.880 174.007 174.700 0.311 0.000 1.012 697 T CA -0.478 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 1.258 121.308 119.914 0.227 0.000 2.680 698 V HA 0.864 4.984 4.120 0.000 0.000 0.309 698 V C -0.772 175.387 176.094 0.109 0.000 1.052 698 V CA -1.118 61.278 62.300 0.160 0.000 0.908 698 V CB 1.902 33.743 31.823 0.030 0.000 1.001 698 V HN 0.841 nan 8.190 nan 0.000 0.431 699 R N 2.200 122.786 120.500 0.144 0.000 2.771 699 R HA 0.835 5.175 4.340 0.000 0.000 0.274 699 R C -1.716 174.662 176.300 0.131 0.000 0.987 699 R CA -0.834 55.360 56.100 0.157 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 -0.457 175.671 176.094 0.056 0.000 1.020 700 V CA -0.658 61.711 62.300 0.114 0.000 0.850 700 V CB 1.738 33.646 31.823 0.141 0.000 0.987 700 V HN 0.442 nan 8.190 nan 0.000 0.436 701 V N 4.468 124.365 119.914 -0.030 0.000 2.680 701 V HA 0.479 4.599 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 61.420 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 0.866 nan 8.190 nan 0.000 0.431 702 Q N 4.132 123.971 119.800 0.066 0.000 2.465 702 Q HA 0.277 4.617 4.340 0.000 0.000 0.237 702 Q C -1.837 174.184 176.000 0.035 0.000 1.051 702 Q CA -1.810 54.041 55.803 0.079 0.000 0.874 702 Q CB 1.899 30.712 28.738 0.125 0.000 1.207 702 Q HN 0.494 nan 8.270 nan 0.000 0.508 703 P HA -0.211 nan 4.420 nan 0.000 0.214 703 P C -0.514 176.789 177.300 0.005 0.000 1.163 703 P CA 1.394 64.507 63.100 0.022 0.000 0.889 703 P CB 0.285 32.006 31.700 0.034 0.000 0.790 704 N N -0.855 117.842 118.700 -0.005 0.000 2.492 704 N HA 0.442 5.182 4.740 0.000 0.000 0.289 704 N C -0.273 175.194 175.510 -0.072 0.000 1.133 704 N CA -0.646 52.388 53.050 -0.028 0.000 0.961 704 N CB 0.678 39.152 38.487 -0.022 0.000 1.186 704 N HN 0.015 nan 8.380 nan 0.000 0.493 705 A N 0.411 123.179 122.820 -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 -0.141 51.801 52.037 -0.157 0.000 0.797 705 A CB 0.008 18.934 19.000 -0.123 0.000 1.047 705 A HN 0.735 nan 8.150 nan 0.000 0.494 706 T N -3.529 110.800 114.554 -0.375 0.000 2.773 706 T HA 0.619 4.969 4.350 0.000 0.000 0.278 706 T C 0.897 175.383 174.700 -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 69.445 68.868 -0.897 0.000 1.293 706 T HN 1.365 nan 8.240 nan 0.000 0.554 707 A N -0.167 122.536 122.820 -0.195 0.000 2.121 707 A HA 0.137 4.458 4.320 0.000 0.000 0.218 707 A C 1.485 179.167 177.584 0.163 0.000 1.154 707 A CA 0.888 52.962 52.037 0.062 0.000 0.679 707 A CB -0.827 18.317 19.000 0.239 0.000 0.795 707 A HN 0.905 nan 8.150 nan 0.000 0.458 708 W N -0.971 120.375 121.300 0.077 0.000 2.518 708 W HA 0.430 5.090 4.660 0.000 0.000 0.352 708 W C -0.185 176.293 176.519 -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 0.232 115.436 115.700 -0.826 0.000 2.556 709 S HA 0.449 4.920 4.470 0.000 0.000 0.271 709 S C -0.559 173.774 174.600 -0.445 0.000 1.135 709 S CA -0.616 57.133 58.200 -0.751 0.000 0.858 709 S CB 2.815 65.175 63.200 -1.400 0.000 1.114 709 S HN 0.063 nan 8.310 nan 0.000 0.468 710 E N 0.871 120.928 120.200 -0.238 0.000 2.342 710 E HA 0.533 4.883 4.350 0.000 0.000 0.257 710 E C 0.397 176.950 176.600 -0.079 0.000 1.150 710 E CA -0.562 55.772 56.400 -0.111 0.000 0.926 710 E CB 1.135 30.822 29.700 -0.023 0.000 1.074 710 E HN 0.881 nan 8.360 nan 0.000 0.449 711 A N -0.125 122.667 122.820 -0.047 0.000 2.407 711 A HA 0.443 4.763 4.320 0.000 0.000 0.248 711 A C 1.006 178.597 177.584 0.012 0.000 1.082 711 A CA 0.554 52.577 52.037 -0.024 0.000 0.785 711 A CB -0.152 18.836 19.000 -0.019 0.000 1.020 711 A HN 0.745 nan 8.150 nan 0.000 0.489 712 G N 0.328 109.140 108.800 0.022 0.000 2.160 712 G HA2 -0.225 3.735 3.960 0.000 0.000 0.244 712 G HA3 -0.225 3.735 3.960 0.000 0.000 0.244 712 G C 0.066 174.996 174.900 0.050 0.000 1.022 712 G CA 0.714 45.824 45.100 0.017 0.000 0.741 712 G HN 1.676 nan 8.290 nan 0.000 0.508 713 H N 0.088 119.147 119.070 -0.018 0.000 2.652 713 H HA 0.541 5.097 4.556 0.000 0.000 0.349 713 H C 0.444 175.816 175.328 0.073 0.000 1.099 713 H CA -0.683 55.380 56.048 0.026 0.000 1.417 713 H CB 0.371 30.138 29.762 0.009 0.000 1.457 713 H HN 0.047 nan 8.280 nan 0.000 0.568 714 I N 4.588 124.854 120.570 -0.507 0.000 2.325 714 I HA 0.037 4.207 4.170 0.000 0.000 0.291 714 I C 1.073 177.037 176.117 -0.254 0.000 1.019 714 I CA -0.027 61.120 61.300 -0.256 0.000 1.302 714 I CB 0.777 38.702 38.000 -0.126 0.000 1.401 714 I HN 0.839 nan 8.210 nan 0.000 0.485 715 S N 3.797 119.565 115.700 0.113 0.000 2.526 715 S HA 0.664 5.134 4.470 0.000 0.000 0.220 715 S C 0.488 175.343 174.600 0.424 0.000 1.017 715 S CA 0.117 58.514 58.200 0.329 0.000 0.930 715 S CB 0.635 64.140 63.200 0.507 0.000 0.856 715 S HN 0.754 nan 8.310 nan 0.000 0.497 716 A N 0.610 123.717 122.820 0.477 0.000 2.605 716 A HA 0.675 4.995 4.320 0.000 0.000 0.294 716 A C -1.732 176.216 177.584 0.605 0.000 1.062 716 A CA -0.902 51.406 52.037 0.452 0.000 0.682 716 A CB 0.439 19.754 19.000 0.526 0.000 1.278 716 A HN 0.918 nan 8.150 nan 0.000 0.410 717 W N -0.006 121.466 121.300 0.285 0.000 3.005 717 W HA 0.809 5.469 4.660 0.000 0.000 0.343 717 W C -1.184 175.375 176.519 0.067 0.000 1.243 717 W CA -0.643 56.757 57.345 0.091 0.000 1.186 717 W CB 1.203 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 1.710 121.568 119.800 0.096 0.000 2.574 718 Q HA 0.302 4.642 4.340 0.000 0.000 0.265 718 Q C -1.561 174.234 176.000 -0.342 0.000 0.975 718 Q CA -0.575 55.101 55.803 -0.211 0.000 0.923 718 Q CB 1.976 30.427 28.738 -0.479 0.000 1.518 718 Q HN 0.674 nan 8.270 nan 0.000 0.401 719 Q N 2.605 122.178 119.800 -0.378 0.000 2.458 719 Q HA 0.758 5.098 4.340 0.000 0.000 0.282 719 Q C -1.222 174.674 176.000 -0.174 0.000 1.106 719 Q CA -0.664 55.064 55.803 -0.124 0.000 0.814 719 Q CB 2.029 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 1.195 122.698 121.300 0.339 0.000 3.127 720 W HA 0.437 5.097 4.660 0.000 0.000 0.330 720 W C -0.610 175.925 176.519 0.027 0.000 1.187 720 W CA -0.800 56.663 57.345 0.197 0.000 1.198 720 W CB 2.215 31.723 29.460 0.080 0.000 1.408 720 W HN 0.680 nan 8.180 nan 0.000 0.529 721 R N 2.598 122.999 120.500 -0.166 0.000 2.202 721 R HA 0.292 4.632 4.340 0.000 0.000 0.334 721 R C 0.763 176.839 176.300 -0.373 0.000 1.036 721 R CA -0.141 55.451 56.100 -0.846 0.000 0.878 721 R CB 0.612 30.043 30.300 -1.448 0.000 1.067 721 R HN 0.607 nan 8.270 nan 0.000 0.457 722 L N 2.769 123.823 121.223 -0.282 0.000 2.049 722 L HA 0.178 4.518 4.340 0.000 0.000 0.203 722 L C 0.897 177.666 176.870 -0.168 0.000 1.074 722 L CA 1.020 55.767 54.840 -0.156 0.000 0.749 722 L CB -0.163 41.847 42.059 -0.082 0.000 0.907 722 L HN 0.664 nan 8.230 nan 0.000 0.439 723 A N -0.808 121.896 122.820 -0.194 0.000 2.588 723 A HA 0.622 4.942 4.320 0.000 0.000 0.290 723 A C -1.420 176.074 177.584 -0.149 0.000 1.136 723 A CA -0.437 51.514 52.037 -0.142 0.000 0.681 723 A CB 1.855 20.807 19.000 -0.081 0.000 1.282 723 A HN 0.056 nan 8.150 nan 0.000 0.421 724 E N 0.409 120.552 120.200 -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 4.598 123.296 118.700 -0.002 0.000 2.564 725 N HA 0.295 5.035 4.740 0.000 0.000 0.248 725 N C -0.657 174.865 175.510 0.021 0.000 0.986 725 N CA -0.317 52.739 53.050 0.010 0.000 0.921 725 N CB 1.044 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 0.674 121.908 121.223 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 0.113 54.970 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 1.398 117.123 115.700 0.042 0.000 2.465 727 S HA 0.277 4.747 4.470 0.000 0.000 0.279 727 S C 0.559 175.182 174.600 0.038 0.000 1.201 727 S CA -0.898 57.328 58.200 0.043 0.000 1.053 727 S CB 0.809 64.040 63.200 0.052 0.000 0.953 727 S HN 0.437 nan 8.310 nan 0.000 0.488 728 V N 2.575 122.509 119.914 0.032 0.000 3.376 728 V HA 0.299 4.419 4.120 0.000 0.000 0.313 728 V C 0.870 176.981 176.094 0.028 0.000 1.393 728 V CA -0.014 62.303 62.300 0.028 0.000 1.125 728 V CB -1.063 30.774 31.823 0.023 0.000 1.037 728 V HN 0.838 nan 8.190 nan 0.000 0.440 729 T N 0.112 114.685 114.554 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 1.905 70.789 68.868 0.028 0.000 1.044 729 T HN 0.210 nan 8.240 nan 0.000 0.520 730 L N 1.810 123.048 121.223 0.025 0.000 2.334 730 L HA 0.599 4.939 4.340 0.000 0.000 0.273 730 L C -1.970 174.912 176.870 0.019 0.000 1.013 730 L CA -2.125 52.728 54.840 0.022 0.000 0.816 730 L CB 0.533 42.602 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 -0.717 176.582 177.300 -0.001 0.000 1.216 731 P CA -0.410 62.697 63.100 0.011 0.000 0.771 731 P CB 0.965 32.672 31.700 0.011 0.000 0.864 732 A N 2.649 125.466 122.820 -0.006 0.000 2.332 732 A HA 0.554 4.875 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 51.831 52.037 -0.019 0.000 0.802 732 A CB -0.155 18.840 19.000 -0.009 0.000 1.042 732 A HN 0.738 nan 8.150 nan 0.000 0.489 733 A N 1.176 123.955 122.820 -0.068 0.000 2.520 733 A HA 0.487 4.807 4.320 0.000 0.000 0.235 733 A C 0.788 178.204 177.584 -0.280 0.000 1.065 733 A CA 0.475 52.440 52.037 -0.119 0.000 0.764 733 A CB -0.423 18.532 19.000 -0.076 0.000 1.002 733 A HN 1.512 nan 8.150 nan 0.000 0.502 734 S N 0.716 116.256 115.700 -0.265 0.000 2.608 734 S HA 0.494 4.964 4.470 0.000 0.000 0.291 734 S C 0.232 174.593 174.600 -0.398 0.000 1.146 734 S CA -0.726 57.267 58.200 -0.344 0.000 1.043 734 S CB 0.831 63.949 63.200 -0.136 0.000 1.037 734 S HN 0.668 nan 8.310 nan 0.000 0.520 735 H N 0.200 119.281 119.070 0.017 0.000 2.539 735 H HA 0.557 5.113 4.556 0.000 0.000 0.269 735 H C 0.585 175.921 175.328 0.013 0.000 0.980 735 H CA 0.553 56.609 56.048 0.013 0.000 1.152 735 H CB -0.092 29.677 29.762 0.011 0.000 1.407 735 H HN 0.775 nan 8.280 nan 0.000 0.564 736 A N 0.952 123.804 122.820 0.054 0.000 2.599 736 A HA 0.618 4.938 4.320 0.000 0.000 0.290 736 A C -1.062 176.539 177.584 0.028 0.000 1.101 736 A CA -0.777 51.291 52.037 0.051 0.000 0.674 736 A CB 1.471 20.512 19.000 0.068 0.000 1.277 736 A HN 0.215 nan 8.150 nan 0.000 0.419 737 I N -1.550 119.041 120.570 0.036 0.000 2.865 737 I HA 0.790 4.960 4.170 0.000 0.000 0.302 737 I C -2.874 173.280 176.117 0.062 0.000 1.140 737 I CA -2.582 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 63.540 63.100 0.096 0.000 0.781 738 P CB 0.191 31.905 31.700 0.023 0.000 0.877 739 H N 1.897 120.996 119.070 0.048 0.000 2.587 739 H HA 0.371 4.927 4.556 0.000 0.000 0.325 739 H C -1.017 174.338 175.328 0.045 0.000 1.012 739 H CA -1.110 54.960 56.048 0.036 0.000 1.213 739 H CB 0.956 30.740 29.762 0.038 0.000 1.431 739 H HN 0.201 nan 8.280 nan 0.000 0.492 740 L N 5.071 126.170 121.223 -0.206 0.000 2.326 740 L HA 0.316 4.656 4.340 0.000 0.000 0.278 740 L C -0.737 175.926 176.870 -0.345 0.000 1.092 740 L CA 0.275 54.970 54.840 -0.242 0.000 0.810 740 L CB 1.389 43.372 42.059 -0.127 0.000 1.153 740 L HN 0.644 nan 8.230 nan 0.000 0.439 741 T N 3.025 117.466 114.554 -0.187 0.000 2.921 741 T HA 0.428 4.778 4.350 0.000 0.000 0.297 741 T C -0.634 174.115 174.700 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 2.592 117.213 114.554 0.112 0.000 2.821 742 T HA 0.487 4.837 4.350 0.000 0.000 0.307 742 T C 0.605 175.367 174.700 0.104 0.000 1.034 742 T CA -0.479 61.746 62.100 0.208 0.000 0.953 742 T CB 1.029 70.048 68.868 0.252 0.000 0.968 742 T HN 0.637 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 -0.333 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 -0.988 119.183 120.200 -0.048 0.000 2.364 744 E HA 0.065 4.415 4.350 0.000 0.000 0.196 744 E C 1.398 177.930 176.600 -0.114 0.000 0.990 744 E CA 0.123 56.482 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 1.253 120.792 119.600 -0.101 0.000 2.501 745 M HA 0.161 4.641 4.480 0.000 0.000 0.261 745 M C -0.316 175.895 176.300 -0.150 0.000 1.129 745 M CA 0.790 56.031 55.300 -0.098 0.000 1.126 745 M CB -0.257 32.318 32.600 -0.042 0.000 1.359 745 M HN 0.112 nan 8.290 nan 0.000 0.471 746 D N -2.094 118.184 120.400 -0.204 0.000 2.879 746 D HA 0.389 5.029 4.640 0.000 0.000 0.346 746 D C -0.975 175.177 176.300 -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 4.339 124.683 120.200 0.240 0.000 2.277 750 E HA 0.881 5.231 4.350 0.000 0.000 0.266 750 E C -1.682 175.091 176.600 0.288 0.000 0.901 750 E CA -0.834 55.714 56.400 0.245 0.000 0.782 750 E CB 2.925 32.703 29.700 0.130 0.000 1.228 750 E HN 0.554 nan 8.360 nan 0.000 0.424 751 L N 3.796 125.178 121.223 0.264 0.000 2.929 751 L HA 0.461 4.801 4.340 0.000 0.000 0.246 751 L C -0.148 176.804 176.870 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 3.805 112.654 108.800 0.082 0.000 2.527 752 G HA2 -0.385 3.575 3.960 0.000 0.000 0.268 752 G HA3 -0.385 3.575 3.960 0.000 0.000 0.268 752 G C 0.565 175.465 174.900 0.000 0.000 1.175 752 G CA 0.474 45.597 45.100 0.038 0.000 0.962 752 G HN 1.058 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 0.006 4.746 4.740 0.000 0.000 0.180 753 N C 0.834 176.282 175.510 -0.103 0.000 1.028 753 N CA 1.448 54.464 53.050 -0.057 0.000 0.893 753 N CB -0.155 38.300 38.487 -0.052 0.000 0.967 753 N HN 0.778 nan 8.380 nan 0.000 0.440 754 K N 0.386 120.705 120.400 -0.135 0.000 2.270 754 K HA 0.316 4.636 4.320 0.000 0.000 0.276 754 K C -0.135 176.247 176.600 -0.362 0.000 1.023 754 K CA -0.075 56.007 56.287 -0.343 0.000 0.955 754 K CB 1.001 33.233 32.500 -0.447 0.000 0.975 754 K HN 0.047 nan 8.250 nan 0.000 0.471 755 R N 1.665 121.827 120.500 -0.564 0.000 2.604 755 R HA 0.355 4.695 4.340 0.000 0.000 0.270 755 R C -1.699 174.470 176.300 -0.219 0.000 1.052 755 R CA -0.647 55.331 56.100 -0.203 0.000 0.902 755 R CB 1.349 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 3.036 124.442 121.300 0.177 0.000 2.883 756 W HA 0.344 5.004 4.660 0.000 0.000 0.335 756 W C -0.746 175.852 176.519 0.132 0.000 1.083 756 W CA -0.555 56.851 57.345 0.101 0.000 1.233 756 W CB 2.258 31.748 29.460 0.051 0.000 1.412 756 W HN 0.428 nan 8.180 nan 0.000 0.490 757 Q N 2.650 122.585 119.800 0.223 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 0.294 0.000 1.281 757 Q HN 0.372 nan 8.270 nan 0.000 0.446 758 F N 2.785 122.828 119.950 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 40.454 39.000 0.126 0.000 1.139 758 F HN 0.518 nan 8.300 nan 0.000 0.452 759 N N 3.479 122.277 118.700 0.164 0.000 2.497 759 N HA 0.076 4.816 4.740 0.000 0.000 0.268 759 N C 0.886 176.397 175.510 0.001 0.000 1.171 759 N CA 0.050 53.141 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 1.362 121.784 120.500 -0.130 0.000 2.236 760 R HA -0.030 4.310 4.340 0.000 0.000 0.208 760 R C 1.458 177.682 176.300 -0.127 0.000 1.036 760 R CA 0.964 56.929 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 -0.478 119.281 119.800 -0.067 0.000 2.373 761 Q HA 0.040 4.380 4.340 0.000 0.000 0.210 761 Q C 1.740 177.723 176.000 -0.028 0.000 0.913 761 Q CA 1.212 56.987 55.803 -0.048 0.000 0.911 761 Q CB 0.242 28.967 28.738 -0.022 0.000 1.040 761 Q HN 0.223 nan 8.270 nan 0.000 0.521 762 S N 0.296 116.005 115.700 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 0.790 59.029 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 0.433 109.165 108.800 -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 -0.106 174.652 174.900 -0.236 0.000 0.991 763 G CA 0.365 45.363 45.100 -0.170 0.000 0.689 763 G HN 0.534 nan 8.290 nan 0.000 0.522 764 F N -1.364 118.771 119.950 0.309 0.000 2.575 764 F HA 0.680 5.207 4.527 0.000 0.000 0.330 764 F C 0.464 176.338 175.800 0.123 0.000 1.056 764 F CA -1.470 56.690 58.000 0.265 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 1.555 122.905 121.223 0.212 0.000 2.456 765 L HA 0.210 4.551 4.340 0.000 0.000 0.277 765 L C 0.558 177.346 176.870 -0.136 0.000 1.124 765 L CA 0.785 55.365 54.840 -0.434 0.000 0.880 765 L CB 0.247 42.065 42.059 -0.402 0.000 1.192 765 L HN 0.635 nan 8.230 nan 0.000 0.463 766 S N 2.659 118.264 115.700 -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 0.330 58.489 58.200 -0.068 0.000 0.940 766 S CB 0.040 63.240 63.200 0.001 0.000 0.799 766 S HN 0.741 nan 8.310 nan 0.000 0.508 767 Q N -0.152 119.503 119.800 -0.242 0.000 2.633 767 Q HA 0.626 4.966 4.340 0.000 0.000 0.289 767 Q C -1.655 174.037 176.000 -0.512 0.000 0.940 767 Q CA -0.607 54.931 55.803 -0.441 0.000 0.785 767 Q CB 1.350 29.712 28.738 -0.627 0.000 1.467 767 Q HN 0.262 nan 8.270 nan 0.000 0.401 768 M N 0.323 119.480 119.600 -0.739 0.000 2.465 768 M HA 0.782 5.262 4.480 0.000 0.000 0.284 768 M C -1.964 173.918 176.300 -0.697 0.000 1.212 768 M CA -0.288 54.659 55.300 -0.589 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 3.278 124.352 121.300 -0.376 0.000 2.844 769 W HA 0.693 5.354 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 2.001 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 2.136 122.712 120.570 0.011 0.000 2.418 770 I HA 0.452 4.622 4.170 0.000 0.000 0.287 770 I C 0.828 176.944 176.117 -0.002 0.000 1.008 770 I CA 0.250 61.507 61.300 -0.071 0.000 1.104 770 I CB 1.271 39.202 38.000 -0.116 0.000 1.264 770 I HN 0.722 nan 8.210 nan 0.000 0.438 771 G N 5.594 114.380 108.800 -0.022 0.000 2.583 771 G HA2 -0.302 3.658 3.960 0.000 0.000 0.292 771 G HA3 -0.302 3.658 3.960 0.000 0.000 0.292 771 G C 0.323 175.244 174.900 0.036 0.000 1.203 771 G CA 0.518 45.611 45.100 -0.011 0.000 0.987 771 G HN 0.787 nan 8.290 nan 0.000 0.554 772 D N 0.745 121.180 120.400 0.058 0.000 2.402 772 D HA 0.230 4.870 4.640 0.000 0.000 0.216 772 D C 0.586 177.026 176.300 0.233 0.000 1.128 772 D CA 0.134 54.203 54.000 0.114 0.000 0.833 772 D CB 0.375 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 0.995 121.503 120.400 0.178 0.000 2.211 773 K HA 0.295 4.615 4.320 0.000 0.000 0.275 773 K C -0.070 176.503 176.600 -0.045 0.000 1.024 773 K CA -0.504 55.826 56.287 0.073 0.000 0.887 773 K CB 1.849 34.348 32.500 -0.001 0.000 1.084 773 K HN -0.155 nan 8.250 nan 0.000 0.463 774 K N 1.812 122.091 120.400 -0.203 0.000 2.258 774 K HA 0.048 4.368 4.320 0.000 0.000 0.264 774 K C 0.758 177.149 176.600 -0.348 0.000 1.007 774 K CA -0.157 55.791 56.287 -0.564 0.000 0.941 774 K CB 0.726 32.944 32.500 -0.469 0.000 0.966 774 K HN 0.434 nan 8.250 nan 0.000 0.480 775 Q N 0.988 120.556 119.800 -0.387 0.000 2.316 775 Q HA 0.214 4.554 4.340 0.000 0.000 0.235 775 Q C -0.136 175.780 176.000 -0.140 0.000 0.863 775 Q CA 0.414 56.112 55.803 -0.174 0.000 0.939 775 Q CB 0.589 29.279 28.738 -0.080 0.000 1.108 775 Q HN 0.465 nan 8.270 nan 0.000 0.522 776 L N 0.746 121.834 121.223 -0.225 0.000 2.362 776 L HA 0.426 4.766 4.340 0.000 0.000 0.271 776 L C 0.839 177.584 176.870 -0.208 0.000 1.002 776 L CA -0.463 54.267 54.840 -0.183 0.000 0.818 776 L CB 1.680 43.637 42.059 -0.171 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 0.429 177.186 176.870 -0.188 0.000 1.096 777 L CA 0.561 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 0.601 115.029 114.554 -0.210 0.000 2.912 778 T HA 0.428 4.778 4.350 0.000 0.000 0.299 778 T C -2.655 171.989 174.700 -0.092 0.000 1.052 778 T CA -1.166 60.853 62.100 -0.135 0.000 0.996 778 T CB 2.631 71.397 68.868 -0.171 0.000 1.070 778 T HN -0.225 nan 8.240 nan 0.000 0.465 779 P HA 0.229 nan 4.420 nan 0.000 0.272 779 P C -0.670 176.604 177.300 -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 32.152 31.700 0.013 0.000 0.923 780 L N 3.924 125.158 121.223 0.020 0.000 2.361 780 L HA 0.292 4.632 4.340 0.000 0.000 0.278 780 L C 0.577 177.390 176.870 -0.096 0.000 1.113 780 L CA 0.586 55.459 54.840 0.055 0.000 0.849 780 L CB -0.540 41.661 42.059 0.238 0.000 1.155 780 L HN 0.465 nan 8.230 nan 0.000 0.452 781 R N 2.097 122.485 120.500 -0.187 0.000 2.734 781 R HA 0.487 4.827 4.340 0.000 0.000 0.271 781 R C -1.215 174.963 176.300 -0.203 0.000 1.021 781 R CA -0.969 54.902 56.100 -0.382 0.000 0.893 781 R CB 0.409 30.131 30.300 -0.964 0.000 1.244 781 R HN 0.436 nan 8.270 nan 0.000 0.464 782 D N 0.986 121.310 120.400 -0.126 0.000 2.423 782 D HA 0.094 4.734 4.640 0.000 0.000 0.238 782 D C -0.443 175.495 176.300 -0.604 0.000 1.142 782 D CA 0.455 54.241 54.000 -0.357 0.000 0.884 782 D CB 0.636 41.190 40.800 -0.411 0.000 1.199 782 D HN 0.353 nan 8.370 nan 0.000 0.438 783 Q N 1.134 120.356 119.800 -0.963 0.000 2.271 783 Q HA 0.320 4.660 4.340 0.000 0.000 0.268 783 Q C -1.224 174.047 176.000 -1.215 0.000 1.021 783 Q CA -0.580 54.706 55.803 -0.861 0.000 0.802 783 Q CB 0.794 29.253 28.738 -0.466 0.000 1.282 783 Q HN 0.547 nan 8.270 nan 0.000 0.431 784 F N 0.735 120.343 119.950 -0.570 0.000 2.706 784 F HA 0.198 4.725 4.527 0.000 0.000 0.313 784 F C 0.774 176.190 175.800 -0.641 0.000 1.096 784 F CA -0.124 57.447 58.000 -0.715 0.000 1.219 784 F CB 1.425 39.758 39.000 -1.111 0.000 1.051 784 F HN 0.452 nan 8.300 nan 0.000 0.568 785 T N -0.981 113.314 114.554 -0.431 0.000 2.858 785 T HA 0.764 5.114 4.350 0.000 0.000 0.285 785 T C -0.586 173.888 174.700 -0.376 0.000 1.052 785 T CA -0.983 60.787 62.100 -0.550 0.000 1.009 785 T CB 2.757 71.254 68.868 -0.617 0.000 1.241 785 T HN 0.227 nan 8.240 nan 0.000 0.542 786 R N -0.412 119.902 120.500 -0.310 0.000 2.774 786 R HA 0.751 5.091 4.340 0.000 0.000 0.272 786 R C -1.091 175.275 176.300 0.110 0.000 1.000 786 R CA -1.175 54.871 56.100 -0.089 0.000 0.906 786 R CB 1.503 31.757 30.300 -0.078 0.000 1.227 786 R HN 0.846 nan 8.270 nan 0.000 0.468 787 A N 3.260 126.126 122.820 0.077 0.000 2.444 787 A HA 0.328 4.648 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 -1.457 50.627 52.037 0.079 0.000 0.858 787 A CB -0.457 18.543 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 -0.275 177.144 177.300 0.198 0.000 1.168 788 P CA 0.585 63.845 63.100 0.267 0.000 0.759 788 P CB 0.295 32.173 31.700 0.297 0.000 0.782 789 L N 2.395 123.706 121.223 0.147 0.000 2.416 789 L HA 0.226 4.566 4.340 0.000 0.000 0.262 789 L C 1.755 178.649 176.870 0.040 0.000 1.093 789 L CA -0.623 54.243 54.840 0.044 0.000 0.801 789 L CB 0.252 42.272 42.059 -0.066 0.000 1.191 789 L HN 0.311 nan 8.230 nan 0.000 0.459 790 D N 0.581 120.953 120.400 -0.046 0.000 2.116 790 D HA -0.183 4.457 4.640 0.000 0.000 0.193 790 D C 1.587 177.870 176.300 -0.028 0.000 0.998 790 D CA 1.584 55.520 54.000 -0.107 0.000 0.836 790 D CB 0.059 40.754 40.800 -0.176 0.000 0.951 790 D HN 0.502 nan 8.370 nan 0.000 0.449 791 N N 1.185 119.867 118.700 -0.029 0.000 2.149 791 N HA -0.133 4.607 4.740 0.000 0.000 0.188 791 N C 1.230 176.770 175.510 0.051 0.000 1.019 791 N CA 0.867 53.918 53.050 0.001 0.000 0.857 791 N CB -0.328 38.138 38.487 -0.035 0.000 0.997 791 N HN 0.285 nan 8.380 nan 0.000 0.426 792 D N 0.307 120.753 120.400 0.077 0.000 2.224 792 D HA 0.006 4.646 4.640 0.000 0.000 0.205 792 D C 2.001 178.368 176.300 0.112 0.000 0.965 792 D CA 0.380 54.464 54.000 0.141 0.000 0.852 792 D CB 0.023 40.981 40.800 0.262 0.000 0.947 792 D HN 0.333 nan 8.370 nan 0.000 0.494 793 I N 0.472 121.092 120.570 0.082 0.000 2.400 793 I HA -0.006 4.164 4.170 0.000 0.000 0.248 793 I C 1.108 177.238 176.117 0.021 0.000 1.109 793 I CA 0.452 61.782 61.300 0.050 0.000 1.425 793 I CB -0.276 37.734 38.000 0.017 0.000 1.094 793 I HN -0.018 nan 8.210 nan 0.000 0.425 794 G N 2.829 111.651 108.800 0.037 0.000 2.247 794 G HA2 -0.124 3.836 3.960 0.000 0.000 0.260 794 G HA3 -0.124 3.836 3.960 0.000 0.000 0.260 794 G C -0.146 174.790 174.900 0.059 0.000 0.852 794 G CA 0.579 45.717 45.100 0.064 0.000 1.281 794 G HN 0.442 nan 8.290 nan 0.000 0.378 795 V N -1.046 118.900 119.914 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 1.368 116.778 115.700 -0.483 0.000 2.506 796 S HA 0.363 4.834 4.470 0.000 0.000 0.219 796 S C 0.281 174.189 174.600 -1.152 0.000 1.031 796 S CA -0.116 57.302 58.200 -1.304 0.000 0.911 796 S CB -0.080 62.254 63.200 -1.445 0.000 0.812 796 S HN 0.858 nan 8.310 nan 0.000 0.497 797 E N 0.783 120.610 120.200 -0.622 0.000 2.241 797 E HA 0.586 4.936 4.350 0.000 0.000 0.263 797 E C 0.355 176.789 176.600 -0.277 0.000 0.882 797 E CA -0.285 55.852 56.400 -0.439 0.000 0.769 797 E CB 1.860 31.331 29.700 -0.381 0.000 1.185 797 E HN 0.221 nan 8.360 nan 0.000 0.415 798 A N 2.818 125.514 122.820 -0.208 0.000 1.971 798 A HA -0.267 4.053 4.320 0.000 0.000 0.222 798 A C 2.003 179.530 177.584 -0.096 0.000 1.182 798 A CA 2.612 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 -0.164 114.319 114.554 -0.118 0.000 2.708 799 T HA -0.067 4.283 4.350 0.000 0.000 0.266 799 T C 0.962 175.604 174.700 -0.097 0.000 1.037 799 T CA 1.270 63.310 62.100 -0.100 0.000 1.146 799 T CB -0.192 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 1.954 122.378 120.500 -0.127 0.000 2.207 800 R HA 0.527 4.867 4.340 0.000 0.000 0.334 800 R C -0.664 175.575 176.300 -0.102 0.000 1.013 800 R CA -0.600 55.431 56.100 -0.115 0.000 0.858 800 R CB 0.512 30.729 30.300 -0.139 0.000 1.094 800 R HN 0.374 nan 8.270 nan 0.000 0.457 801 I N -1.285 119.240 120.570 -0.075 0.000 2.385 801 I HA 0.348 4.518 4.170 0.000 0.000 0.294 801 I C -0.479 175.600 176.117 -0.063 0.000 0.988 801 I CA -0.455 60.808 61.300 -0.062 0.000 1.265 801 I CB 1.464 39.437 38.000 -0.044 0.000 1.388 801 I HN 0.326 nan 8.210 nan 0.000 0.480 802 D N 7.685 128.046 120.400 -0.065 0.000 2.427 802 D HA 0.431 5.071 4.640 0.000 0.000 0.226 802 D C -1.821 174.421 176.300 -0.098 0.000 1.076 802 D CA -2.413 51.541 54.000 -0.078 0.000 0.849 802 D CB 1.713 42.468 40.800 -0.075 0.000 1.052 802 D HN 0.373 nan 8.370 nan 0.000 0.515 803 P HA -0.103 nan 4.420 nan 0.000 0.223 803 P C 0.568 177.768 177.300 -0.166 0.000 1.144 803 P CA 0.731 63.767 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 -0.510 118.075 118.700 -0.191 0.000 2.353 804 N HA 0.086 4.826 4.740 0.000 0.000 0.185 804 N C 0.754 176.027 175.510 -0.395 0.000 1.098 804 N CA 0.086 52.964 53.050 -0.287 0.000 0.872 804 N CB -0.054 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 0.073 122.724 122.820 -0.281 0.000 2.498 805 A HA 0.028 4.348 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 -0.327 51.544 52.037 -0.276 0.000 0.766 805 A CB 0.027 18.952 19.000 -0.125 0.000 1.003 805 A HN 0.330 nan 8.150 nan 0.000 0.497 806 W N 1.773 122.791 121.300 -0.470 0.000 2.302 806 W HA -0.225 4.435 4.660 0.000 0.000 0.320 806 W C 2.254 178.172 176.519 -1.001 0.000 1.241 806 W CA 1.926 58.688 57.345 -0.971 0.000 1.264 806 W CB -0.458 28.299 29.460 -1.171 0.000 1.154 806 W HN 0.551 nan 8.180 nan 0.000 0.483 807 V N 0.625 120.424 119.914 -0.191 0.000 2.332 807 V HA -0.294 3.826 4.120 0.000 0.000 0.248 807 V C 2.303 178.477 176.094 0.133 0.000 1.055 807 V CA 2.209 64.622 62.300 0.188 0.000 1.038 807 V CB -0.465 31.507 31.823 0.249 0.000 0.651 807 V HN 0.072 nan 8.190 nan 0.000 0.450 808 E N 0.187 120.369 120.200 -0.030 0.000 2.058 808 E HA -0.189 4.161 4.350 0.000 0.000 0.194 808 E C 2.379 178.944 176.600 -0.058 0.000 0.997 808 E CA 1.441 57.819 56.400 -0.037 0.000 0.801 808 E CB -0.370 29.272 29.700 -0.096 0.000 0.746 808 E HN 0.628 nan 8.360 nan 0.000 0.450 809 R N -0.444 119.940 120.500 -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 1.116 57.086 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 -0.032 4.628 4.660 0.000 0.000 0.303 810 W C 2.063 178.548 176.519 -0.057 0.000 1.208 810 W CA 0.387 57.595 57.345 -0.229 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 -0.002 120.628 120.400 0.384 0.000 1.985 811 K HA -0.119 4.201 4.320 0.000 0.000 0.210 811 K C 2.200 178.886 176.600 0.144 0.000 1.047 811 K CA 1.739 58.219 56.287 0.322 0.000 0.932 811 K CB -0.650 31.982 32.500 0.220 0.000 0.716 811 K HN -0.025 nan 8.250 nan 0.000 0.439 812 A N 1.198 124.068 122.820 0.082 0.000 2.024 812 A HA -0.139 4.181 4.320 0.000 0.000 0.220 812 A C 2.186 179.781 177.584 0.018 0.000 1.164 812 A CA 1.929 53.992 52.037 0.043 0.000 0.643 812 A CB -0.492 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 -2.126 120.687 122.820 -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 18.259 19.000 -0.039 0.000 0.814 813 A HN 1.888 nan 8.150 nan 0.000 0.464 814 G N -1.822 106.856 108.800 -0.203 0.000 2.141 814 G HA2 -0.280 3.680 3.960 0.000 0.000 0.231 814 G HA3 -0.280 3.680 3.960 0.000 0.000 0.231 814 G C 0.611 175.479 174.900 -0.053 0.000 0.984 814 G CA 0.611 45.386 45.100 -0.542 0.000 0.660 814 G HN 0.705 nan 8.290 nan 0.000 0.525 815 H N -1.304 117.719 119.070 -0.078 0.000 2.387 815 H HA -0.112 4.444 4.556 0.000 0.000 0.299 815 H C 2.176 177.457 175.328 -0.079 0.000 1.099 815 H CA 1.649 57.652 56.048 -0.074 0.000 1.315 815 H CB 0.092 29.733 29.762 -0.201 0.000 1.380 815 H HN 0.615 nan 8.280 nan 0.000 0.513 816 Y N 0.737 121.154 120.300 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 0.667 58.846 58.100 0.133 0.000 1.283 816 Y CB 0.415 38.943 38.460 0.113 0.000 1.001 816 Y HN 0.358 nan 8.280 nan 0.000 0.555 817 Q N -0.650 119.309 119.800 0.265 0.000 2.106 817 Q HA 0.464 4.804 4.340 0.000 0.000 0.273 817 Q C -0.291 175.888 176.000 0.298 0.000 0.853 817 Q CA -0.378 55.580 55.803 0.259 0.000 1.118 817 Q CB 0.416 29.299 28.738 0.243 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 52.049 52.037 0.383 0.000 0.798 818 A CB 0.539 19.763 19.000 0.373 0.000 1.033 818 A HN 0.313 nan 8.150 nan 0.000 0.488 819 E N 0.701 121.098 120.200 0.328 0.000 2.156 819 E HA 0.473 4.823 4.350 0.000 0.000 0.279 819 E C -0.093 176.487 176.600 -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 -0.255 177.154 177.584 -0.291 0.000 1.089 820 A CA -0.120 51.463 52.037 -0.757 0.000 0.794 820 A CB 0.571 19.063 19.000 -0.846 0.000 1.029 820 A HN 0.561 nan 8.150 nan 0.000 0.488 821 A N 1.887 124.539 122.820 -0.280 0.000 2.375 821 A HA 0.559 4.879 4.320 0.000 0.000 0.295 821 A C -0.788 176.708 177.584 -0.146 0.000 1.066 821 A CA -0.551 51.409 52.037 -0.128 0.000 0.722 821 A CB 0.757 19.708 19.000 -0.080 0.000 1.206 821 A HN 1.171 nan 8.150 nan 0.000 0.435 822 L N 3.376 124.494 121.223 -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 54.659 54.840 -0.348 0.000 0.870 822 L CB 0.092 41.960 42.059 -0.317 0.000 1.154 822 L HN 0.804 nan 8.230 nan 0.000 0.462 823 L N 3.653 124.734 121.223 -0.237 0.000 2.357 823 L HA 0.225 4.565 4.340 0.000 0.000 0.211 823 L C 0.472 177.275 176.870 -0.112 0.000 1.075 823 L CA 0.185 54.953 54.840 -0.120 0.000 0.830 823 L CB 0.084 42.106 42.059 -0.061 0.000 0.996 823 L HN 0.800 nan 8.230 nan 0.000 0.467 824 Q N -0.656 119.045 119.800 -0.166 0.000 2.617 824 Q HA 0.295 4.635 4.340 0.000 0.000 0.270 824 Q C -1.935 173.998 176.000 -0.111 0.000 0.967 824 Q CA -0.762 54.979 55.803 -0.104 0.000 0.887 824 Q CB 2.281 30.990 28.738 -0.049 0.000 1.516 824 Q HN 0.016 nan 8.270 nan 0.000 0.395 825 C N 2.767 122.042 119.300 -0.041 0.000 2.705 825 C HA 0.893 5.353 4.460 0.000 0.000 0.369 825 C C -1.098 173.956 174.990 0.107 0.000 1.069 825 C CA 0.758 59.790 59.018 0.023 0.000 1.260 825 C CB 0.845 28.595 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 0.890 5.241 4.350 0.000 0.000 0.301 826 T C -0.592 173.954 174.700 -0.256 0.000 1.158 826 T CA -0.061 62.023 62.100 -0.026 0.000 1.007 826 T CB 1.805 70.650 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 5.162 4.320 0.000 0.000 0.310 827 A C -1.235 176.128 177.584 -0.369 0.000 1.075 827 A CA -0.644 51.013 52.037 -0.633 0.000 0.746 827 A CB 1.449 19.653 19.000 -1.327 0.000 1.277 827 A HN 0.894 nan 8.150 nan 0.000 0.425 828 D N 0.288 120.517 120.400 -0.285 0.000 2.736 828 D HA 0.451 5.091 4.640 0.000 0.000 0.223 828 D C -1.312 174.903 176.300 -0.142 0.000 1.231 828 D CA -0.011 53.884 54.000 -0.174 0.000 0.818 828 D CB 2.436 43.163 40.800 -0.121 0.000 1.587 828 D HN 0.448 nan 8.370 nan 0.000 0.463 829 T N 1.511 116.007 114.554 -0.098 0.000 2.758 829 T HA 0.513 4.863 4.350 0.000 0.000 0.285 829 T C 0.122 174.792 174.700 -0.049 0.000 0.981 829 T CA -0.584 61.475 62.100 -0.069 0.000 0.965 829 T CB 1.092 69.934 68.868 -0.043 0.000 0.927 829 T HN 0.057 nan 8.240 nan 0.000 0.448 830 L N 1.674 122.869 121.223 -0.047 0.000 2.376 830 L HA 0.680 5.020 4.340 0.000 0.000 0.267 830 L C 1.807 178.662 176.870 -0.024 0.000 1.035 830 L CA -0.501 54.318 54.840 -0.034 0.000 0.800 830 L CB 0.112 42.149 42.059 -0.036 0.000 1.290 830 L HN 0.721 nan 8.230 nan 0.000 0.462 831 A N -0.173 122.636 122.820 -0.018 0.000 1.933 831 A HA -0.148 4.172 4.320 0.000 0.000 0.218 831 A C 0.948 178.525 177.584 -0.012 0.000 1.175 831 A CA 2.035 54.065 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 -2.475 117.915 120.400 -0.017 0.000 2.500 832 D HA 0.564 5.204 4.640 0.000 0.000 0.217 832 D C 0.237 176.521 176.300 -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 -1.749 175.796 177.584 -0.066 0.000 1.098 833 A CA -0.787 51.219 52.037 -0.051 0.000 0.643 833 A CB 0.763 19.731 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 -0.873 175.136 176.094 -0.142 0.000 1.040 834 V CA -0.476 61.748 62.300 -0.127 0.000 0.913 834 V CB 1.357 33.090 31.823 -0.150 0.000 0.992 834 V HN 0.825 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 -0.914 175.835 176.870 -0.200 0.000 0.987 835 L CA -0.069 54.688 54.840 -0.139 0.000 0.828 835 L CB 1.416 43.418 42.059 -0.096 0.000 1.249 835 L HN 0.405 nan 8.230 nan 0.000 0.409 836 I N 3.684 124.146 120.570 -0.179 0.000 2.441 836 I HA 0.531 4.701 4.170 0.000 0.000 0.295 836 I C -0.046 176.060 176.117 -0.019 0.000 0.994 836 I CA -0.381 60.774 61.300 -0.242 0.000 1.144 836 I CB 1.724 39.366 38.000 -0.596 0.000 1.314 836 I HN 0.525 nan 8.210 nan 0.000 0.445 837 T N 4.519 119.049 114.554 -0.041 0.000 2.879 837 T HA 0.631 4.981 4.350 0.000 0.000 0.290 837 T C -0.002 174.738 174.700 0.067 0.000 0.993 837 T CA -0.533 61.593 62.100 0.042 0.000 0.975 837 T CB 1.757 70.624 68.868 -0.002 0.000 0.981 837 T HN 0.806 nan 8.240 nan 0.000 0.439 838 T N -0.220 114.418 114.554 0.139 0.000 2.901 838 T HA 0.911 5.261 4.350 0.000 0.000 0.293 838 T C -1.137 173.630 174.700 0.112 0.000 1.084 838 T CA -1.109 61.056 62.100 0.109 0.000 1.008 838 T CB 2.099 71.118 68.868 0.251 0.000 1.170 838 T HN 0.790 nan 8.240 nan 0.000 0.509 839 A N 1.429 124.240 122.820 -0.016 0.000 2.465 839 A HA 0.713 5.033 4.320 0.000 0.000 0.292 839 A C -1.493 176.028 177.584 -0.104 0.000 1.041 839 A CA -0.791 51.286 52.037 0.066 0.000 0.718 839 A CB 0.724 19.750 19.000 0.042 0.000 1.266 839 A HN 0.985 nan 8.150 nan 0.000 0.403 840 H N 0.258 119.392 119.070 0.107 0.000 2.797 840 H HA 0.850 5.406 4.556 0.000 0.000 0.372 840 H C 0.028 175.410 175.328 0.090 0.000 1.168 840 H CA 0.156 56.190 56.048 -0.024 0.000 1.163 840 H CB 2.107 31.728 29.762 -0.234 0.000 1.778 840 H HN 1.015 nan 8.280 nan 0.000 0.551 841 A N 1.333 124.199 122.820 0.076 0.000 2.371 841 A HA 0.468 4.788 4.320 0.000 0.000 0.311 841 A C -1.414 176.239 177.584 0.115 0.000 1.068 841 A CA -0.722 51.437 52.037 0.203 0.000 0.744 841 A CB 1.209 20.281 19.000 0.119 0.000 1.239 841 A HN 0.582 nan 8.150 nan 0.000 0.435 842 W N 2.224 123.614 121.300 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 -0.297 57.118 57.345 0.117 0.000 1.211 842 W CB 1.696 31.268 29.460 0.187 0.000 1.305 842 W HN 0.773 nan 8.180 nan 0.000 0.476 843 Q N 1.856 121.784 119.800 0.214 0.000 2.496 843 Q HA 0.479 4.819 4.340 0.000 0.000 0.286 843 Q C -1.026 175.100 176.000 0.209 0.000 1.103 843 Q CA -0.970 54.913 55.803 0.134 0.000 0.813 843 Q CB 3.499 32.284 28.738 0.079 0.000 1.444 843 Q HN 0.447 nan 8.270 nan 0.000 0.443 844 H N 0.798 119.892 119.070 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 0.960 30.763 29.762 0.068 0.000 1.909 844 H HN 0.864 nan 8.280 nan 0.000 0.465 845 Q N 3.217 122.802 119.800 -0.358 0.000 2.453 845 Q HA -0.236 4.104 4.340 0.000 0.000 0.294 845 Q C 0.944 176.900 176.000 -0.074 0.000 1.295 845 Q CA 1.137 56.795 55.803 -0.241 0.000 0.853 845 Q CB -1.464 27.095 28.738 -0.298 0.000 1.193 845 Q HN 1.171 nan 8.270 nan 0.000 0.461 846 G N -0.190 108.588 108.800 -0.037 0.000 2.205 846 G HA2 -0.378 3.582 3.960 0.000 0.000 0.261 846 G HA3 -0.378 3.582 3.960 0.000 0.000 0.261 846 G C 0.069 174.977 174.900 0.014 0.000 0.980 846 G CA 0.675 45.772 45.100 -0.006 0.000 0.632 846 G HN 0.378 nan 8.290 nan 0.000 0.533 847 K N 1.226 121.644 120.400 0.030 0.000 2.156 847 K HA 0.620 4.940 4.320 0.000 0.000 0.271 847 K C -0.132 176.481 176.600 0.020 0.000 0.995 847 K CA -0.123 56.183 56.287 0.032 0.000 0.890 847 K CB 0.860 33.387 32.500 0.044 0.000 1.073 847 K HN 0.011 nan 8.250 nan 0.000 0.454 848 T N 5.735 120.290 114.554 0.002 0.000 2.728 848 T HA 0.231 4.581 4.350 0.000 0.000 0.296 848 T C 1.094 175.728 174.700 -0.110 0.000 0.940 848 T CA -0.565 61.528 62.100 -0.012 0.000 1.013 848 T CB 0.537 69.420 68.868 0.026 0.000 0.912 848 T HN 0.529 nan 8.240 nan 0.000 0.484 849 L N 1.995 123.036 121.223 -0.304 0.000 2.168 849 L HA 0.354 4.694 4.340 0.000 0.000 0.203 849 L C -0.070 176.311 176.870 -0.814 0.000 1.078 849 L CA 0.861 55.250 54.840 -0.752 0.000 0.780 849 L CB -0.036 41.104 42.059 -1.531 0.000 0.939 849 L HN 0.527 nan 8.230 nan 0.000 0.451 850 F N -1.084 118.816 119.950 -0.082 0.000 2.626 850 F HA 0.593 5.120 4.527 0.000 0.000 0.311 850 F C -0.518 175.378 175.800 0.159 0.000 1.088 850 F CA -0.865 57.053 58.000 -0.137 0.000 0.949 850 F CB 1.982 40.566 39.000 -0.694 0.000 1.322 850 F HN -0.326 nan 8.300 nan 0.000 0.461 851 I N 1.421 122.227 120.570 0.394 0.000 2.466 851 I HA 0.404 4.574 4.170 0.000 0.000 0.289 851 I C -0.888 175.492 176.117 0.440 0.000 1.026 851 I CA -0.573 60.980 61.300 0.421 0.000 1.078 851 I CB 2.228 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 6.714 122.771 115.700 0.594 0.000 2.552 852 S HA 0.605 5.075 4.470 0.000 0.000 0.314 852 S C -0.769 174.084 174.600 0.420 0.000 1.099 852 S CA -0.671 57.848 58.200 0.532 0.000 1.070 852 S CB 0.791 64.422 63.200 0.718 0.000 0.998 852 S HN 0.583 nan 8.310 nan 0.000 0.474 853 R N 3.434 124.103 120.500 0.282 0.000 2.480 853 R HA 0.556 4.896 4.340 0.000 0.000 0.306 853 R C -0.755 175.623 176.300 0.130 0.000 0.958 853 R CA -0.776 55.447 56.100 0.206 0.000 0.861 853 R CB 1.930 32.324 30.300 0.157 0.000 1.171 853 R HN 0.550 nan 8.270 nan 0.000 0.445 854 K N 0.671 121.144 120.400 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 -0.025 0.000 1.015 854 K CA -0.970 55.307 56.287 -0.016 0.000 0.860 854 K CB 2.445 34.888 32.500 -0.095 0.000 1.359 854 K HN 0.624 nan 8.250 nan 0.000 0.452 855 T N -1.416 113.035 114.554 -0.172 0.000 2.952 855 T HA 0.534 4.884 4.350 0.000 0.000 0.305 855 T C -1.456 173.118 174.700 -0.210 0.000 1.064 855 T CA -0.786 61.264 62.100 -0.082 0.000 1.008 855 T CB 0.431 69.282 68.868 -0.028 0.000 1.078 855 T HN 0.408 nan 8.240 nan 0.000 0.459 856 Y N 1.245 121.526 120.300 -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 -1.100 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 4.906 125.454 120.500 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 31.127 30.300 -0.013 0.000 1.177 857 R HN 0.820 nan 8.270 nan 0.000 0.451 858 I N 4.589 125.066 120.570 -0.154 0.000 2.362 858 I HA 0.267 4.437 4.170 0.000 0.000 0.289 858 I C -0.383 175.634 176.117 -0.167 0.000 0.994 858 I CA -0.945 60.203 61.300 -0.254 0.000 1.158 858 I CB 1.611 39.296 38.000 -0.526 0.000 1.315 858 I HN 0.708 nan 8.210 nan 0.000 0.451 859 D N 4.027 124.359 120.400 -0.113 0.000 2.506 859 D HA 0.296 4.936 4.640 0.000 0.000 0.254 859 D C 1.232 177.513 176.300 -0.032 0.000 1.089 859 D CA -0.692 53.272 54.000 -0.059 0.000 1.050 859 D CB 0.959 41.740 40.800 -0.032 0.000 1.221 859 D HN 0.501 nan 8.370 nan 0.000 0.589 860 G N -1.218 107.571 108.800 -0.019 0.000 2.498 860 G HA2 -0.189 3.771 3.960 0.000 0.000 0.219 860 G HA3 -0.189 3.771 3.960 0.000 0.000 0.219 860 G C 1.172 176.077 174.900 0.008 0.000 1.119 860 G CA 1.080 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 0.370 4.840 4.470 0.000 0.000 0.217 861 S C 1.700 176.340 174.600 0.066 0.000 0.966 861 S CA 0.892 59.106 58.200 0.024 0.000 0.914 861 S CB -0.008 63.201 63.200 0.016 0.000 0.776 861 S HN 1.471 nan 8.310 nan 0.000 0.523 862 G N 0.853 109.705 108.800 0.087 0.000 2.160 862 G HA2 -0.212 3.748 3.960 0.000 0.000 0.244 862 G HA3 -0.212 3.748 3.960 0.000 0.000 0.244 862 G C -0.356 174.647 174.900 0.171 0.000 1.022 862 G CA -0.004 45.211 45.100 0.192 0.000 0.741 862 G HN 0.623 nan 8.290 nan 0.000 0.508 863 Q N -0.784 119.059 119.800 0.072 0.000 2.274 863 Q HA 0.683 5.023 4.340 0.000 0.000 0.260 863 Q C 0.060 176.072 176.000 0.019 0.000 0.974 863 Q CA -0.606 55.246 55.803 0.082 0.000 0.876 863 Q CB 1.994 30.781 28.738 0.081 0.000 1.297 863 Q HN 0.391 nan 8.270 nan 0.000 0.446 864 M N 2.017 121.666 119.600 0.081 0.000 2.114 864 M HA 0.566 5.046 4.480 0.000 0.000 0.332 864 M C -1.514 174.886 176.300 0.167 0.000 1.014 864 M CA -0.512 54.826 55.300 0.064 0.000 0.956 864 M CB 1.104 33.737 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 51.405 52.037 0.106 0.000 0.840 865 A CB 0.552 19.594 19.000 0.070 0.000 1.179 865 A HN 0.908 nan 8.150 nan 0.000 0.504 866 I N 1.457 122.049 120.570 0.037 0.000 2.474 866 I HA 0.462 4.632 4.170 0.000 0.000 0.294 866 I C -0.179 175.834 176.117 -0.174 0.000 1.005 866 I CA -0.382 60.846 61.300 -0.119 0.000 1.113 866 I CB 2.378 40.324 38.000 -0.090 0.000 1.289 866 I HN 0.491 nan 8.210 nan 0.000 0.436 867 T N 5.035 119.432 114.554 -0.262 0.000 2.841 867 T HA 0.549 4.900 4.350 0.000 0.000 0.285 867 T C -0.611 173.884 174.700 -0.341 0.000 0.991 867 T CA -0.383 61.564 62.100 -0.256 0.000 0.966 867 T CB 1.865 70.675 68.868 -0.096 0.000 0.962 867 T HN 0.251 nan 8.240 nan 0.000 0.438 868 V N 3.967 123.551 119.914 -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 -0.913 61.089 62.300 -0.497 0.000 0.873 868 V CB 2.113 33.383 31.823 -0.922 0.000 0.992 868 V HN 0.833 nan 8.190 nan 0.000 0.428 869 D N 3.062 123.465 120.400 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 -0.120 53.984 54.000 0.174 0.000 0.910 869 D CB 2.788 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 0.048 176.290 176.094 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 1.926 122.259 120.200 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 2.285 122.321 119.914 0.204 0.000 2.487 872 V HA 0.455 4.575 4.120 0.000 0.000 0.298 872 V C -0.063 176.132 176.094 0.167 0.000 1.028 872 V CA -1.010 61.435 62.300 0.241 0.000 0.860 872 V CB 1.603 33.591 31.823 0.274 0.000 0.991 872 V HN 0.845 nan 8.190 nan 0.000 0.427 873 A N 3.221 126.109 122.820 0.114 0.000 2.548 873 A HA 0.294 4.614 4.320 0.000 0.000 0.247 873 A C 1.677 179.338 177.584 0.129 0.000 1.067 873 A CA 0.639 52.726 52.037 0.083 0.000 0.757 873 A CB 0.248 19.264 19.000 0.026 0.000 0.996 873 A HN 1.398 nan 8.150 nan 0.000 0.504 874 S N 1.629 117.397 115.700 0.114 0.000 2.400 874 S HA -0.189 4.281 4.470 0.000 0.000 0.232 874 S C 0.985 175.670 174.600 0.142 0.000 1.025 874 S CA 1.600 59.881 58.200 0.135 0.000 0.993 874 S CB -0.343 62.913 63.200 0.093 0.000 0.808 874 S HN 0.825 nan 8.310 nan 0.000 0.478 875 D N 0.277 120.738 120.400 0.101 0.000 2.325 875 D HA 0.153 4.793 4.640 0.000 0.000 0.225 875 D C 0.507 176.857 176.300 0.084 0.000 1.096 875 D CA 0.017 54.064 54.000 0.078 0.000 0.844 875 D CB -0.329 40.500 40.800 0.049 0.000 0.925 875 D HN 0.332 nan 8.370 nan 0.000 0.513 876 T N 0.752 115.386 114.554 0.133 0.000 2.943 876 T HA 0.449 4.799 4.350 0.000 0.000 0.284 876 T C -2.674 172.160 174.700 0.223 0.000 1.015 876 T CA -2.026 60.179 62.100 0.176 0.000 1.042 876 T CB 1.394 70.381 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 -0.640 176.970 177.300 0.518 0.000 1.216 877 P CA -0.235 62.975 63.100 0.183 0.000 0.776 877 P CB 0.149 31.937 31.700 0.146 0.000 0.881 878 H N 2.939 122.353 119.070 0.574 0.000 2.964 878 H HA 0.092 4.648 4.556 0.000 0.000 0.328 878 H C -1.870 173.804 175.328 0.578 0.000 1.030 878 H CA -1.736 54.599 56.048 0.478 0.000 1.445 878 H CB -0.952 29.026 29.762 0.361 0.000 1.449 878 H HN 0.311 nan 8.280 nan 0.000 0.581 879 P HA 0.089 nan 4.420 nan 0.000 0.274 879 P C 0.386 177.608 177.300 -0.130 0.000 1.231 879 P CA -0.335 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 3.086 125.596 122.820 -0.517 0.000 1.969 880 A HA -0.087 4.234 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 1.468 53.150 52.037 -0.592 0.000 0.635 880 A CB -0.558 17.897 19.000 -0.908 0.000 0.810 880 A HN 0.765 nan 8.150 nan 0.000 0.445 881 R N -2.937 117.237 120.500 -0.543 0.000 2.741 881 R HA 0.704 5.044 4.340 0.000 0.000 0.274 881 R C -1.888 174.174 176.300 -0.397 0.000 1.029 881 R CA -0.819 54.973 56.100 -0.513 0.000 0.880 881 R CB 0.584 30.516 30.300 -0.614 0.000 1.264 881 R HN 0.026 nan 8.270 nan 0.000 0.465 882 I N 1.058 121.428 120.570 -0.334 0.000 2.540 882 I HA 0.639 4.809 4.170 0.000 0.000 0.280 882 I C -0.474 175.416 176.117 -0.380 0.000 1.083 882 I CA -0.427 60.684 61.300 -0.315 0.000 1.080 882 I CB 1.789 39.677 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 0.732 4.692 3.960 0.000 0.000 0.302 883 G HA3 0.732 4.692 3.960 0.000 0.000 0.302 883 G C -1.764 172.963 174.900 -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 0.549 121.652 121.223 -0.201 0.000 2.303 884 L HA 0.707 5.047 4.340 0.000 0.000 0.256 884 L C -0.706 176.062 176.870 -0.171 0.000 1.034 884 L CA -1.123 53.618 54.840 -0.166 0.000 0.832 884 L CB 2.604 44.631 42.059 -0.053 0.000 1.403 884 L HN 0.869 nan 8.230 nan 0.000 0.419 885 N N 0.097 118.725 118.700 -0.120 0.000 2.823 885 N HA 0.670 5.410 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 -1.637 117.718 119.300 0.092 0.000 3.253 886 C HA 0.578 5.038 4.460 0.000 0.000 0.342 886 C C -1.380 173.536 174.990 -0.123 0.000 1.306 886 C CA -0.833 58.213 59.018 0.047 0.000 1.207 886 C CB 0.939 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 1.310 120.821 119.800 -0.482 0.000 2.347 887 Q HA 0.685 5.025 4.340 0.000 0.000 0.262 887 Q C -1.046 174.676 176.000 -0.463 0.000 0.980 887 Q CA -0.442 54.804 55.803 -0.927 0.000 0.867 887 Q CB 0.900 28.711 28.738 -1.546 0.000 1.242 887 Q HN 0.747 nan 8.270 nan 0.000 0.453 888 L N 2.610 123.640 121.223 -0.322 0.000 2.375 888 L HA 0.355 4.695 4.340 0.000 0.000 0.271 888 L C 1.184 177.961 176.870 -0.155 0.000 1.107 888 L CA -0.342 54.413 54.840 -0.142 0.000 0.806 888 L CB 0.974 43.045 42.059 0.020 0.000 1.146 888 L HN 0.807 nan 8.230 nan 0.000 0.447 889 A N 2.116 124.869 122.820 -0.111 0.000 1.930 889 A HA -0.140 4.180 4.320 0.000 0.000 0.217 889 A C 1.163 178.712 177.584 -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 18.619 19.000 -0.106 0.000 0.815 889 A HN 0.818 nan 8.150 nan 0.000 0.443 890 Q N -0.527 119.268 119.800 -0.008 0.000 2.368 890 Q HA 0.464 4.804 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 0.096 55.897 55.803 -0.004 0.000 0.896 890 Q CB 0.966 29.712 28.738 0.013 0.000 1.241 890 Q HN 0.151 nan 8.270 nan 0.000 0.485 891 V N 2.314 122.212 119.914 -0.027 0.000 2.612 891 V HA 0.790 4.910 4.120 0.000 0.000 0.301 891 V C -0.833 175.210 176.094 -0.084 0.000 1.059 891 V CA -0.143 62.173 62.300 0.026 0.000 0.886 891 V CB 1.151 32.986 31.823 0.021 0.000 1.007 891 V HN 0.951 nan 8.190 nan 0.000 0.426 892 A N 3.238 125.972 122.820 -0.144 0.000 2.389 892 A HA 0.886 5.206 4.320 0.000 0.000 0.293 892 A C 0.526 178.143 177.584 0.055 0.000 1.186 892 A CA -0.337 51.589 52.037 -0.185 0.000 0.828 892 A CB 1.643 20.329 19.000 -0.524 0.000 1.369 892 A HN 0.735 nan 8.150 nan 0.000 0.446 893 E N -0.236 119.987 120.200 0.038 0.000 2.060 893 E HA 0.072 4.422 4.350 0.000 0.000 0.189 893 E C 0.614 177.300 176.600 0.142 0.000 0.974 893 E CA 0.989 57.439 56.400 0.083 0.000 0.808 893 E CB 0.143 29.869 29.700 0.045 0.000 0.768 893 E HN 0.538 nan 8.360 nan 0.000 0.453 894 R N -0.533 120.059 120.500 0.154 0.000 2.856 894 R HA 0.610 4.950 4.340 0.000 0.000 0.258 894 R C -1.042 175.445 176.300 0.312 0.000 1.066 894 R CA -0.901 55.318 56.100 0.198 0.000 1.045 894 R CB 2.071 32.456 30.300 0.142 0.000 1.178 894 R HN -0.142 nan 8.270 nan 0.000 0.499 895 V N 1.445 121.549 119.914 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 -0.968 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 3.969 122.926 118.700 0.428 0.000 2.295 896 N HA 0.571 5.311 4.740 0.000 0.000 0.293 896 N C -1.453 174.335 175.510 0.463 0.000 1.040 896 N CA -0.396 52.879 53.050 0.374 0.000 0.840 896 N CB 3.025 41.621 38.487 0.182 0.000 1.468 896 N HN 0.832 nan 8.380 nan 0.000 0.478 897 W N 3.008 124.371 121.300 0.104 0.000 3.074 897 W HA 0.611 5.271 4.660 0.000 0.000 0.332 897 W C -2.167 174.362 176.519 0.016 0.000 1.253 897 W CA -1.066 56.326 57.345 0.079 0.000 1.180 897 W CB 0.726 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 3.766 125.015 121.223 0.043 0.000 2.324 898 L HA 0.910 5.250 4.340 0.000 0.000 0.274 898 L C -0.050 176.796 176.870 -0.040 0.000 1.012 898 L CA 0.376 55.076 54.840 -0.233 0.000 0.859 898 L CB 0.774 42.743 42.059 -0.149 0.000 1.224 898 L HN 1.026 nan 8.230 nan 0.000 0.429 899 G N 3.664 112.358 108.800 -0.176 0.000 2.393 899 G HA2 0.220 4.180 3.960 0.000 0.000 0.264 899 G HA3 0.220 4.180 3.960 0.000 0.000 0.264 899 G C -1.633 173.431 174.900 0.273 0.000 1.221 899 G CA -0.995 44.219 45.100 0.189 0.000 0.912 899 G HN 0.376 nan 8.290 nan 0.000 0.483 900 L N 1.264 122.720 121.223 0.389 0.000 2.331 900 L HA 0.624 4.964 4.340 0.000 0.000 0.278 900 L C 0.965 177.888 176.870 0.089 0.000 1.106 900 L CA 0.451 55.434 54.840 0.238 0.000 0.824 900 L CB 0.671 42.799 42.059 0.114 0.000 1.142 900 L HN 1.038 nan 8.230 nan 0.000 0.443 901 G N 3.154 111.729 108.800 -0.374 0.000 2.554 901 G HA2 0.399 4.359 3.960 0.000 0.000 0.306 901 G HA3 0.399 4.359 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 -1.064 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 0.403 177.486 177.300 -0.361 0.000 1.233 902 P CA 0.311 62.791 63.100 -1.033 0.000 0.827 902 P CB 0.781 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 29.341 28.738 -0.151 0.000 1.204 903 Q HN 0.109 nan 8.270 nan 0.000 0.524 904 E N 1.321 121.414 120.200 -0.178 0.000 2.608 904 E HA -0.128 4.222 4.350 0.000 0.000 0.259 904 E C -1.180 175.339 176.600 -0.135 0.000 0.951 904 E CA 0.293 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 2.805 121.346 118.700 -0.266 0.000 2.308 905 N HA 0.317 5.057 4.740 0.000 0.000 0.283 905 N C -1.881 173.389 175.510 -0.400 0.000 1.105 905 N CA -0.685 52.258 53.050 -0.178 0.000 0.840 905 N CB 0.722 39.119 38.487 -0.150 0.000 1.633 905 N HN 0.237 nan 8.380 nan 0.000 0.476 906 Y N 0.076 120.284 120.300 -0.152 0.000 2.598 906 Y HA 0.513 5.063 4.550 0.000 0.000 0.340 906 Y C -1.609 174.221 175.900 -0.116 0.000 1.038 906 Y CA -2.077 55.923 58.100 -0.167 0.000 1.100 906 Y CB 1.721 40.077 38.460 -0.173 0.000 1.281 906 Y HN 0.435 nan 8.280 nan 0.000 0.488 907 P HA -0.187 nan 4.420 nan 0.000 0.216 907 P C 0.414 177.664 177.300 -0.083 0.000 1.154 907 P CA 2.151 65.295 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 -2.146 118.019 120.400 -0.391 0.000 2.358 908 D HA 0.015 4.655 4.640 0.000 0.000 0.224 908 D C 0.567 176.733 176.300 -0.223 0.000 1.123 908 D CA -0.016 53.550 54.000 -0.724 0.000 0.833 908 D CB -0.227 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 -0.808 175.526 176.300 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 -1.046 120.219 121.223 0.070 0.000 3.635 910 L HA 0.303 4.643 4.340 0.000 0.000 0.338 910 L C 1.174 178.104 176.870 0.101 0.000 1.275 910 L CA 0.060 54.938 54.840 0.063 0.000 1.092 910 L CB 0.185 42.264 42.059 0.034 0.000 1.465 910 L HN 0.141 nan 8.230 nan 0.000 0.625 911 T N -2.582 112.059 114.554 0.146 0.000 2.915 911 T HA 0.060 4.410 4.350 0.000 0.000 0.269 911 T C 1.697 176.492 174.700 0.157 0.000 1.071 911 T CA 1.272 63.487 62.100 0.191 0.000 1.132 911 T CB -0.192 68.827 68.868 0.252 0.000 0.878 911 T HN 0.402 nan 8.240 nan 0.000 0.479 912 A N 1.279 124.195 122.820 0.159 0.000 2.119 912 A HA 0.682 5.002 4.320 0.000 0.000 0.216 912 A C 1.658 179.338 177.584 0.160 0.000 1.152 912 A CA 0.495 52.587 52.037 0.091 0.000 0.708 912 A CB -0.878 18.290 19.000 0.280 0.000 0.805 912 A HN 0.820 nan 8.150 nan 0.000 0.460 916 D N 3.073 122.863 120.400 -1.016 0.000 3.145 916 D HA 0.310 4.950 4.640 0.000 0.000 0.345 916 D C -1.539 173.835 176.300 -1.543 0.000 1.391 916 D CA -0.753 52.465 54.000 -1.303 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 -1.372 174.098 176.300 -1.384 0.000 0.986 917 R CA -0.432 54.975 56.100 -1.154 0.000 0.847 917 R CB 0.575 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 2.621 123.358 121.300 -0.939 0.000 2.689 918 W HA 0.425 5.085 4.660 0.000 0.000 0.340 918 W C -0.515 175.619 176.519 -0.642 0.000 1.060 918 W CA -0.666 56.086 57.345 -0.990 0.000 1.218 918 W CB 1.544 29.927 29.460 -1.795 0.000 1.410 918 W HN 0.313 nan 8.180 nan 0.000 0.528 919 D N 2.611 122.960 120.400 -0.085 0.000 2.736 919 D HA 0.521 5.161 4.640 0.000 0.000 0.243 919 D C -1.286 175.110 176.300 0.160 0.000 1.304 919 D CA -0.129 53.919 54.000 0.080 0.000 0.934 919 D CB 1.216 42.028 40.800 0.021 0.000 1.382 919 D HN 0.401 nan 8.370 nan 0.000 0.571 920 L N 2.531 123.917 121.223 0.272 0.000 2.397 920 L HA 0.570 4.910 4.340 0.000 0.000 0.251 920 L C -2.521 174.473 176.870 0.206 0.000 1.064 920 L CA -2.175 52.801 54.840 0.227 0.000 0.859 920 L CB 2.683 44.908 42.059 0.277 0.000 1.468 920 L HN 0.149 nan 8.230 nan 0.000 0.411 921 P HA 0.142 nan 4.420 nan 0.000 0.284 921 P C 0.491 177.875 177.300 0.140 0.000 1.253 921 P CA -0.476 62.705 63.100 0.135 0.000 0.800 921 P CB 1.205 32.963 31.700 0.098 0.000 0.961 922 L N 3.686 124.998 121.223 0.148 0.000 2.064 922 L HA -0.309 4.031 4.340 0.000 0.000 0.216 922 L C 2.224 179.153 176.870 0.098 0.000 1.077 922 L CA 2.824 57.740 54.840 0.126 0.000 0.766 922 L CB -1.517 40.630 42.059 0.146 0.000 0.890 922 L HN 0.455 nan 8.230 nan 0.000 0.435 923 S N -1.524 114.234 115.700 0.097 0.000 2.374 923 S HA -0.224 4.246 4.470 0.000 0.000 0.227 923 S C 1.653 176.329 174.600 0.127 0.000 1.037 923 S CA 1.348 59.614 58.200 0.110 0.000 1.024 923 S CB -0.926 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 1.264 121.720 120.400 0.093 0.000 2.350 924 D HA 0.061 4.701 4.640 0.000 0.000 0.216 924 D C 1.248 177.570 176.300 0.037 0.000 0.968 924 D CA 0.634 54.671 54.000 0.063 0.000 0.894 924 D CB -0.230 40.609 40.800 0.066 0.000 0.909 924 D HN 0.390 nan 8.370 nan 0.000 0.520 925 M N -0.377 119.256 119.600 0.055 0.000 2.568 925 M HA 0.064 4.544 4.480 0.000 0.000 0.226 925 M C -0.113 176.217 176.300 0.049 0.000 1.148 925 M CA 0.029 55.323 55.300 -0.010 0.000 1.007 925 M CB -0.984 31.602 32.600 -0.025 0.000 1.651 925 M HN -0.023 nan 8.290 nan 0.000 0.488 926 Y N -0.443 119.823 120.300 -0.056 0.000 2.425 926 Y HA 0.476 5.026 4.550 0.000 0.000 0.344 926 Y C -0.854 174.985 175.900 -0.100 0.000 0.969 926 Y CA -0.850 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 8.750 122.799 114.554 -0.842 0.000 2.801 927 T HA 0.273 4.623 4.350 0.000 0.000 0.306 927 T C -2.651 171.224 174.700 -1.374 0.000 1.020 927 T CA -1.511 59.995 62.100 -0.989 0.000 0.948 927 T CB 0.985 69.366 68.868 -0.812 0.000 0.962 927 T HN 0.447 nan 8.240 nan 0.000 0.465 928 P HA 0.083 nan 4.420 nan 0.000 0.238 928 P C -0.585 176.553 177.300 -0.270 0.000 1.714 928 P CA -0.383 62.297 63.100 -0.701 0.000 0.908 928 P CB -0.836 30.602 31.700 -0.436 0.000 1.893 929 Y N -0.399 119.806 120.300 -0.158 0.000 2.717 929 Y HA -0.098 4.452 4.550 0.000 0.000 0.330 929 Y C 2.278 178.218 175.900 0.067 0.000 1.217 929 Y CA -0.401 57.683 58.100 -0.027 0.000 1.506 929 Y CB 0.460 38.859 38.460 -0.101 0.000 1.268 929 Y HN -0.113 nan 8.280 nan 0.000 0.561 930 V N 4.042 124.162 119.914 0.344 0.000 2.278 930 V HA -0.330 3.790 4.120 0.000 0.000 0.251 930 V C 0.629 176.887 176.094 0.274 0.000 1.062 930 V CA 1.608 64.092 62.300 0.306 0.000 1.038 930 V CB -0.534 31.504 31.823 0.359 0.000 0.646 930 V HN 0.608 nan 8.190 nan 0.000 0.447 931 F N 3.480 123.482 119.950 0.087 0.000 2.391 931 F HA 0.496 5.023 4.527 0.000 0.000 0.359 931 F C -2.326 173.491 175.800 0.029 0.000 1.122 931 F CA -3.150 54.855 58.000 0.007 0.000 1.120 931 F CB 0.944 39.854 39.000 -0.151 0.000 1.142 931 F HN 0.001 nan 8.300 nan 0.000 0.483 932 P HA 0.350 nan 4.420 nan 0.000 0.278 932 P C -1.225 175.854 177.300 -0.368 0.000 1.238 932 P CA -0.192 62.716 63.100 -0.320 0.000 0.794 932 P CB 1.695 33.227 31.700 -0.281 0.000 0.955 933 S N -0.230 115.419 115.700 -0.085 0.000 2.683 933 S HA 0.378 4.848 4.470 0.000 0.000 0.269 933 S C -0.838 173.779 174.600 0.028 0.000 1.165 933 S CA -0.913 57.276 58.200 -0.018 0.000 0.840 933 S CB 0.227 63.458 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 1.093 57.531 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 1.589 120.378 118.700 0.148 0.000 3.106 935 N HA 0.523 5.263 4.740 0.000 0.000 0.253 935 N C 0.384 175.959 175.510 0.108 0.000 1.506 935 N CA -0.659 52.520 53.050 0.215 0.000 0.876 935 N CB 0.593 39.208 38.487 0.213 0.000 1.452 935 N HN 0.647 nan 8.380 nan 0.000 0.542 936 G N -1.366 107.458 108.800 0.040 0.000 2.189 936 G HA2 -0.290 3.670 3.960 0.000 0.000 0.267 936 G HA3 -0.290 3.670 3.960 0.000 0.000 0.267 936 G C -0.108 174.558 174.900 -0.389 0.000 0.975 936 G CA 0.556 45.566 45.100 -0.150 0.000 0.644 936 G HN 0.693 nan 8.290 nan 0.000 0.537 937 L N 1.209 122.139 121.223 -0.489 0.000 2.529 937 L HA 0.435 4.775 4.340 0.000 0.000 0.287 937 L C 0.831 177.137 176.870 -0.940 0.000 1.241 937 L CA 0.527 54.834 54.840 -0.888 0.000 0.857 937 L CB 0.365 41.587 42.059 -1.395 0.000 1.113 937 L HN 0.352 nan 8.230 nan 0.000 0.504 938 R N 3.881 123.736 120.500 -1.076 0.000 2.575 938 R HA 0.488 4.828 4.340 0.000 0.000 0.293 938 R C -1.154 174.767 176.300 -0.631 0.000 0.983 938 R CA -0.685 54.898 56.100 -0.862 0.000 0.887 938 R CB 0.775 30.538 30.300 -0.896 0.000 1.184 938 R HN 0.570 nan 8.270 nan 0.000 0.445 939 C N -0.225 118.856 119.300 -0.364 0.000 2.354 939 C HA 0.686 5.146 4.460 0.000 0.000 0.381 939 C C 1.315 176.272 174.990 -0.054 0.000 1.240 939 C CA 0.225 59.118 59.018 -0.207 0.000 2.089 939 C CB 1.098 28.743 27.740 -0.158 0.000 2.234 939 C HN 1.064 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 -0.170 3.790 3.960 0.000 0.000 0.299 940 G HA3 -0.170 3.790 3.960 0.000 0.000 0.299 940 G C -0.133 174.822 174.900 0.091 0.000 1.020 940 G CA 0.483 45.612 45.100 0.048 0.000 1.026 940 G HN 0.812 nan 8.290 nan 0.000 0.512 941 T N -0.290 114.185 114.554 -0.131 0.000 2.829 941 T HA 0.542 4.892 4.350 0.000 0.000 0.282 941 T C 1.432 175.808 174.700 -0.539 0.000 0.990 941 T CA -0.603 61.364 62.100 -0.222 0.000 1.028 941 T CB 1.542 70.250 68.868 -0.266 0.000 0.951 941 T HN 0.343 nan 8.240 nan 0.000 0.460 942 R N 1.161 121.571 120.500 -0.151 0.000 2.279 942 R HA 0.267 4.607 4.340 0.000 0.000 0.195 942 R C 0.440 176.799 176.300 0.099 0.000 0.905 942 R CA 0.145 56.228 56.100 -0.029 0.000 1.044 942 R CB 0.908 31.312 30.300 0.173 0.000 1.056 942 R HN 0.614 nan 8.270 nan 0.000 0.535 943 E N 1.016 121.291 120.200 0.125 0.000 2.321 943 E HA 0.283 4.633 4.350 0.000 0.000 0.281 943 E C -2.022 174.746 176.600 0.281 0.000 0.910 943 E CA -0.592 55.958 56.400 0.249 0.000 0.770 943 E CB 1.796 31.607 29.700 0.184 0.000 1.225 943 E HN -0.103 nan 8.360 nan 0.000 0.417 944 L N 4.065 125.508 121.223 0.367 0.000 2.410 944 L HA 0.608 4.948 4.340 0.000 0.000 0.270 944 L C -1.925 175.180 176.870 0.392 0.000 0.983 944 L CA -0.414 54.594 54.840 0.279 0.000 0.822 944 L CB 1.877 43.943 42.059 0.011 0.000 1.285 944 L HN 0.433 nan 8.230 nan 0.000 0.409 945 N N 4.262 123.157 118.700 0.325 0.000 2.399 945 N HA 0.424 5.164 4.740 0.000 0.000 0.284 945 N C -2.037 173.724 175.510 0.419 0.000 1.025 945 N CA -0.207 53.039 53.050 0.325 0.000 0.885 945 N CB 2.025 40.641 38.487 0.214 0.000 1.339 945 N HN 0.619 nan 8.380 nan 0.000 0.487 946 Y N 1.388 121.859 120.300 0.284 0.000 2.323 946 Y HA 0.438 4.988 4.550 0.000 0.000 0.322 946 Y C 0.561 176.601 175.900 0.232 0.000 1.133 946 Y CA 0.178 58.429 58.100 0.253 0.000 1.093 946 Y CB 0.599 39.239 38.460 0.300 0.000 1.203 946 Y HN 0.826 nan 8.280 nan 0.000 0.427 947 G N 6.337 115.048 108.800 -0.148 0.000 2.527 947 G HA2 -0.279 3.681 3.960 0.000 0.000 0.268 947 G HA3 -0.279 3.681 3.960 0.000 0.000 0.268 947 G C -1.885 172.954 174.900 -0.102 0.000 1.175 947 G CA -0.032 44.959 45.100 -0.181 0.000 0.962 947 G HN 0.547 nan 8.290 nan 0.000 0.560 948 P HA 0.144 nan 4.420 nan 0.000 0.241 948 P C 0.458 177.513 177.300 -0.409 0.000 1.191 948 P CA 0.967 63.888 63.100 -0.299 0.000 0.771 948 P CB -0.057 31.388 31.700 -0.424 0.000 0.929 949 H N -0.276 118.746 119.070 -0.080 0.000 2.505 949 H HA 0.528 5.084 4.556 0.000 0.000 0.351 949 H C 0.313 175.421 175.328 -0.368 0.000 1.151 949 H CA -0.126 55.759 56.048 -0.272 0.000 1.339 949 H CB 0.832 30.245 29.762 -0.581 0.000 1.483 949 H HN -0.067 nan 8.280 nan 0.000 0.558 950 Q N 2.154 121.700 119.800 -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 -0.248 0.000 0.831 950 Q CB 1.755 30.484 28.738 -0.015 0.000 1.322 950 Q HN 0.624 nan 8.270 nan 0.000 0.419 951 W N 3.668 124.973 121.300 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 -0.800 56.518 57.345 -0.045 0.000 1.226 951 W CB 2.203 31.449 29.460 -0.357 0.000 1.419 951 W HN 0.651 nan 8.180 nan 0.000 0.502 952 R N 0.973 121.732 120.500 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 0.476 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 0.630 109.745 108.800 0.525 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 0.484 121.086 120.400 0.335 0.000 2.330 954 D HA 0.586 5.226 4.640 0.000 0.000 0.249 954 D C -0.894 175.451 176.300 0.075 0.000 1.306 954 D CA -0.263 53.781 54.000 0.074 0.000 0.956 954 D CB 0.683 41.532 40.800 0.082 0.000 1.261 954 D HN 0.440 nan 8.370 nan 0.000 0.544 955 F N 0.022 119.970 119.950 -0.003 0.000 2.950 955 F HA 0.619 5.146 4.527 0.000 0.000 0.327 955 F C -1.086 174.681 175.800 -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 -0.154 nan 8.300 nan 0.000 0.509 956 Q N 1.353 121.238 119.800 0.141 0.000 2.413 956 Q HA 0.678 5.018 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 1.063 119.633 118.700 -0.216 0.000 2.494 958 N HA 0.723 5.463 4.740 0.000 0.000 0.270 958 N C -2.164 173.330 175.510 -0.026 0.000 1.285 958 N CA -0.704 52.183 53.050 -0.271 0.000 0.812 958 N CB 2.496 40.814 38.487 -0.283 0.000 1.557 958 N HN 1.156 nan 8.380 nan 0.000 0.487 959 I N 0.245 120.781 120.570 -0.057 0.000 2.685 959 I HA 0.628 4.798 4.170 0.000 0.000 0.289 959 I C -1.380 174.695 176.117 -0.070 0.000 1.292 959 I CA 0.089 61.335 61.300 -0.090 0.000 1.050 959 I CB 1.341 39.229 38.000 -0.187 0.000 1.301 959 I HN 1.089 nan 8.210 nan 0.000 0.425 960 S N 6.422 122.097 115.700 -0.042 0.000 2.714 960 S HA 0.531 5.001 4.470 0.000 0.000 0.280 960 S C -0.439 174.105 174.600 -0.094 0.000 1.200 960 S CA -0.949 57.225 58.200 -0.044 0.000 0.900 960 S CB 1.600 64.844 63.200 0.073 0.000 1.235 960 S HN 0.635 nan 8.310 nan 0.000 0.512 961 R N 0.035 120.307 120.500 -0.381 0.000 2.466 961 R HA 0.300 4.640 4.340 0.000 0.000 0.279 961 R C -1.072 174.880 176.300 -0.580 0.000 0.976 961 R CA 0.165 55.969 56.100 -0.494 0.000 1.081 961 R CB -0.627 29.224 30.300 -0.748 0.000 1.215 961 R HN 0.626 nan 8.270 nan 0.000 0.546 962 Y N 0.160 120.463 120.300 0.005 0.000 2.391 962 Y HA 0.237 4.787 4.550 0.000 0.000 0.341 962 Y C 0.738 176.404 175.900 -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 1.608 117.002 115.700 -0.510 0.000 2.593 963 S HA 0.065 4.535 4.470 0.000 0.000 0.269 963 S C 0.851 175.148 174.600 -0.506 0.000 1.334 963 S CA -0.657 56.902 58.200 -1.069 0.000 1.015 963 S CB 1.144 63.761 63.200 -0.973 0.000 0.912 963 S HN 0.767 nan 8.310 nan 0.000 0.541 964 Q N 0.571 120.070 119.800 -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 1.640 57.288 55.803 -0.259 0.000 0.850 964 Q CB -0.439 28.181 28.738 -0.195 0.000 0.901 964 Q HN 0.924 nan 8.270 nan 0.000 0.429 965 Q N 0.715 120.373 119.800 -0.236 0.000 2.084 965 Q HA -0.208 4.132 4.340 0.000 0.000 0.202 965 Q C 2.062 177.986 176.000 -0.127 0.000 0.978 965 Q CA 1.298 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 -0.177 4.163 4.340 0.000 0.000 0.204 966 Q C 2.359 178.273 176.000 -0.144 0.000 0.986 966 Q CA 1.484 57.215 55.803 -0.121 0.000 0.843 966 Q CB -0.132 28.530 28.738 -0.126 0.000 0.904 966 Q HN 0.459 nan 8.270 nan 0.000 0.420 967 L N 0.084 121.210 121.223 -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 1.340 56.074 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 -0.465 119.056 119.600 -0.132 0.000 2.296 968 M HA -0.183 4.297 4.480 0.000 0.000 0.265 968 M C 1.680 177.916 176.300 -0.108 0.000 1.064 968 M CA 1.677 56.911 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 -0.765 119.374 120.200 -0.102 0.000 2.447 969 E HA 0.053 4.403 4.350 0.000 0.000 0.195 969 E C -0.219 176.338 176.600 -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 0.558 115.039 114.554 -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 70.393 68.868 -0.154 0.000 0.932 970 T HN 0.039 nan 8.240 nan 0.000 0.469 971 S N 1.868 117.552 115.700 -0.027 0.000 2.501 971 S HA 0.072 4.542 4.470 0.000 0.000 0.220 971 S C 0.274 174.907 174.600 0.054 0.000 0.997 971 S CA 0.250 58.479 58.200 0.049 0.000 0.919 971 S CB -0.197 63.199 63.200 0.327 0.000 0.778 971 S HN 0.744 nan 8.310 nan 0.000 0.523 972 H N 0.383 119.442 119.070 -0.019 0.000 2.806 972 H HA 0.512 5.068 4.556 0.000 0.000 0.367 972 H C 0.939 176.265 175.328 -0.002 0.000 1.136 972 H CA -0.741 55.376 56.048 0.114 0.000 1.178 972 H CB 1.509 31.410 29.762 0.233 0.000 1.718 972 H HN 0.107 nan 8.280 nan 0.000 0.540 973 R N 1.408 122.046 120.500 0.231 0.000 2.117 973 R HA -0.219 4.121 4.340 0.000 0.000 0.243 973 R C 1.403 177.742 176.300 0.064 0.000 1.143 973 R CA 2.128 58.294 56.100 0.109 0.000 0.968 973 R CB -0.630 29.749 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 1.620 176.881 175.328 -0.111 0.000 1.066 974 H CA 1.154 57.167 56.048 -0.058 0.000 1.305 974 H CB -0.281 29.425 29.762 -0.093 0.000 1.386 974 H HN 0.342 nan 8.280 nan 0.000 0.551 975 L N 0.848 121.678 121.223 -0.654 0.000 2.599 975 L HA 0.193 4.533 4.340 0.000 0.000 0.230 975 L C 0.523 177.302 176.870 -0.152 0.000 1.141 975 L CA -0.078 54.500 54.840 -0.437 0.000 0.877 975 L CB -0.114 41.687 42.059 -0.430 0.000 1.009 975 L HN 0.036 nan 8.230 nan 0.000 0.447 976 L N 0.343 121.470 121.223 -0.159 0.000 2.399 976 L HA 0.324 4.664 4.340 0.000 0.000 0.266 976 L C 0.109 176.998 176.870 0.033 0.000 1.114 976 L CA -0.460 54.283 54.840 -0.162 0.000 0.804 976 L CB 0.689 42.459 42.059 -0.481 0.000 1.146 976 L HN 0.124 nan 8.230 nan 0.000 0.451 977 H N 0.590 119.745 119.070 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 1.302 31.087 29.762 0.039 0.000 1.718 977 H HN 0.714 nan 8.280 nan 0.000 0.540 978 A N 2.839 125.692 122.820 0.055 0.000 2.531 978 A HA 0.094 4.414 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 -0.070 51.822 52.037 -0.242 0.000 0.760 978 A CB -0.010 18.858 19.000 -0.219 0.000 0.995 978 A HN 0.815 nan 8.150 nan 0.000 0.501 979 E N 0.501 120.625 120.200 -0.127 0.000 2.292 979 E HA 0.131 4.481 4.350 0.000 0.000 0.258 979 E C 0.709 177.298 176.600 -0.019 0.000 1.115 979 E CA -0.698 55.728 56.400 0.044 0.000 0.929 979 E CB 0.657 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 0.276 120.469 120.200 -0.012 0.000 2.065 980 E HA -0.217 4.133 4.350 0.000 0.000 0.201 980 E C 0.922 177.454 176.600 -0.114 0.000 1.016 980 E CA 1.764 58.127 56.400 -0.063 0.000 0.818 980 E CB 0.016 29.684 29.700 -0.054 0.000 0.749 980 E HN 0.571 nan 8.360 nan 0.000 0.453 981 G N -1.406 107.275 108.800 -0.198 0.000 3.387 981 G HA2 0.249 4.209 3.960 0.000 0.000 0.194 981 G HA3 0.249 4.209 3.960 0.000 0.000 0.194 981 G C -0.642 174.153 174.900 -0.174 0.000 1.417 981 G CA -0.074 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 0.410 114.850 114.554 -0.189 0.000 2.841 982 T HA 0.397 4.747 4.350 0.000 0.000 0.285 982 T C -1.584 172.969 174.700 -0.246 0.000 0.991 982 T CA -0.120 61.899 62.100 -0.134 0.000 0.966 982 T CB 1.653 70.547 68.868 0.043 0.000 0.962 982 T HN 0.322 nan 8.240 nan 0.000 0.438 983 W N 3.002 124.215 121.300 -0.145 0.000 2.351 983 W HA 0.636 5.296 4.660 0.000 0.000 0.311 983 W C -0.415 175.988 176.519 -0.194 0.000 1.168 983 W CA -0.740 56.518 57.345 -0.146 0.000 1.200 983 W CB 0.917 30.301 29.460 -0.126 0.000 1.221 983 W HN 0.338 nan 8.180 nan 0.000 0.519 984 L N 5.494 126.781 121.223 0.106 0.000 2.381 984 L HA 0.485 4.825 4.340 0.000 0.000 0.274 984 L C -1.070 175.734 176.870 -0.110 0.000 0.988 984 L CA -0.532 54.238 54.840 -0.117 0.000 0.824 984 L CB 1.019 42.878 42.059 -0.333 0.000 1.263 984 L HN 0.329 nan 8.230 nan 0.000 0.410 985 N N 6.912 125.529 118.700 -0.139 0.000 2.443 985 N HA 0.498 5.238 4.740 0.000 0.000 0.269 985 N C -1.213 174.181 175.510 -0.193 0.000 0.985 985 N CA -0.293 52.664 53.050 -0.154 0.000 0.921 985 N CB 2.309 40.725 38.487 -0.118 0.000 1.195 985 N HN 0.502 nan 8.380 nan 0.000 0.492 986 I N 1.687 122.098 120.570 -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 60.499 61.300 -0.309 0.000 1.142 986 I CB 1.603 39.284 38.000 -0.533 0.000 1.289 986 I HN 0.140 nan 8.210 nan 0.000 0.453 987 D N 4.602 124.873 120.400 -0.215 0.000 2.217 987 D HA 0.307 4.947 4.640 0.000 0.000 0.243 987 D C 1.020 177.052 176.300 -0.447 0.000 1.054 987 D CA -0.192 53.629 54.000 -0.298 0.000 0.838 987 D CB 2.554 43.271 40.800 -0.138 0.000 1.162 987 D HN 0.709 nan 8.370 nan 0.000 0.472 988 G N 1.244 109.503 108.800 -0.901 0.000 2.430 988 G HA2 0.037 3.997 3.960 0.000 0.000 0.216 988 G HA3 0.037 3.997 3.960 0.000 0.000 0.216 988 G C 0.063 174.102 174.900 -1.434 0.000 1.146 988 G CA 0.488 44.773 45.100 -1.357 0.000 0.793 988 G HN 0.385 nan 8.290 nan 0.000 0.537 989 F N -1.806 117.937 119.950 -0.345 0.000 2.654 989 F HA 0.543 5.070 4.527 0.000 0.000 0.308 989 F C -0.697 175.007 175.800 -0.161 0.000 1.108 989 F CA -1.215 56.665 58.000 -0.200 0.000 0.957 989 F CB 1.976 40.799 39.000 -0.296 0.000 1.309 989 F HN -0.074 nan 8.300 nan 0.000 0.446 990 H N 2.546 121.634 119.070 0.029 0.000 2.954 990 H HA 0.388 4.944 4.556 0.000 0.000 0.361 990 H C -1.125 174.228 175.328 0.041 0.000 1.122 990 H CA -0.746 55.289 56.048 -0.022 0.000 1.217 990 H CB 2.395 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 2.765 122.327 119.600 -0.063 0.000 2.250 991 M HA 0.249 4.729 4.480 0.000 0.000 0.325 991 M C 0.555 176.975 176.300 0.201 0.000 1.084 991 M CA 0.479 55.805 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 2.902 111.794 108.800 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 0.550 175.428 174.900 -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 -2.464 118.033 120.570 -0.122 0.000 3.939 993 I HA 0.443 4.613 4.170 0.000 0.000 0.313 993 I C 1.136 177.182 176.117 -0.119 0.000 1.274 993 I CA 0.504 61.705 61.300 -0.165 0.000 1.301 993 I CB -0.361 37.451 38.000 -0.312 0.000 1.105 993 I HN 0.963 nan 8.210 nan 0.000 0.427 994 G N 1.667 110.413 108.800 -0.090 0.000 2.645 994 G HA2 0.039 3.999 3.960 0.000 0.000 0.239 994 G HA3 0.039 3.999 3.960 0.000 0.000 0.239 994 G C 0.570 175.456 174.900 -0.022 0.000 1.331 994 G CA 0.121 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 -2.286 106.513 108.800 -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 0.586 175.514 174.900 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 0.131 4.771 4.640 0.000 0.000 0.203 996 D C 0.947 177.240 176.300 -0.012 0.000 0.988 996 D CA 2.112 56.208 54.000 0.160 0.000 0.864 996 D CB 0.129 41.039 40.800 0.184 0.000 0.928 996 D HN 0.846 nan 8.370 nan 0.000 0.469 997 D N -3.800 116.380 120.400 -0.366 0.000 2.694 997 D HA 0.265 4.905 4.640 0.000 0.000 0.260 997 D C -0.874 174.840 176.300 -0.976 0.000 1.250 997 D CA -0.733 52.584 54.000 -1.138 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 -0.138 114.771 115.700 -1.318 0.000 2.588 998 S HA 0.256 4.726 4.470 0.000 0.000 0.245 998 S C -0.624 174.040 174.600 0.106 0.000 1.021 998 S CA -0.715 57.341 58.200 -0.240 0.000 1.006 998 S CB -0.619 62.750 63.200 0.281 0.000 0.830 998 S HN 0.597 nan 8.310 nan 0.000 0.468 999 W N 1.113 122.345 121.300 -0.113 0.000 1.832 999 W HA 0.597 5.257 4.660 0.000 0.000 0.297 999 W C -0.060 176.398 176.519 -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 28.769 29.460 -0.189 0.000 1.081 999 W HN 0.175 nan 8.180 nan 0.000 0.499 1000 S N -1.291 114.308 115.700 -0.167 0.000 2.595 1000 S HA 0.582 5.052 4.470 0.000 0.000 0.270 1000 S C -3.256 171.274 174.600 -0.117 0.000 1.145 1000 S CA -1.478 56.642 58.200 -0.134 0.000 0.825 1000 S CB 1.511 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 0.260 177.591 177.300 0.050 0.000 1.242 1001 P CA -0.110 62.997 63.100 0.010 0.000 0.768 1001 P CB 0.701 32.300 31.700 -0.167 0.000 0.820 1002 S N 1.063 116.825 115.700 0.102 0.000 2.846 1002 S HA 0.169 4.639 4.470 0.000 0.000 0.249 1002 S C 0.161 174.831 174.600 0.117 0.000 1.028 1002 S CA -0.350 57.886 58.200 0.061 0.000 1.043 1002 S CB -0.261 62.919 63.200 -0.034 0.000 0.990 1002 S HN 0.099 nan 8.310 nan 0.000 0.564 1003 V N 4.146 124.178 119.914 0.197 0.000 2.385 1003 V HA 0.457 4.577 4.120 0.000 0.000 0.269 1003 V C 0.790 177.042 176.094 0.264 0.000 1.043 1003 V CA -0.395 62.024 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 0.329 4.799 4.470 0.000 0.000 0.279 1004 S C 1.507 176.268 174.600 0.267 0.000 1.341 1004 S CA 0.033 58.411 58.200 0.296 0.000 1.043 1004 S CB 1.398 64.740 63.200 0.235 0.000 0.887 1004 S HN 1.063 nan 8.310 nan 0.000 0.516 1005 A N 2.152 125.067 122.820 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 1.969 54.076 52.037 0.117 0.000 0.642 1005 A CB -1.170 17.878 19.000 0.080 0.000 0.816 1005 A HN 0.994 nan 8.150 nan 0.000 0.453 1006 E N -1.213 118.899 120.200 -0.147 0.000 2.409 1006 E HA -0.085 4.265 4.350 0.000 0.000 0.198 1006 E C 0.776 176.997 176.600 -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 28.974 29.700 -0.691 0.000 0.788 1006 E HN 0.793 nan 8.360 nan 0.000 0.521 1007 F N 0.868 120.870 119.950 0.087 0.000 2.678 1007 F HA 0.199 4.726 4.527 0.000 0.000 0.305 1007 F C 0.667 176.510 175.800 0.071 0.000 1.090 1007 F CA -0.452 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 1.187 121.107 119.800 0.200 0.000 2.227 1008 Q HA 0.408 4.748 4.340 0.000 0.000 0.245 1008 Q C -0.225 175.819 176.000 0.073 0.000 0.926 1008 Q CA -0.541 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 2.354 123.593 121.223 0.025 0.000 2.422 1009 L HA 0.117 4.457 4.340 0.000 0.000 0.256 1009 L C 0.611 177.381 176.870 -0.167 0.000 1.202 1009 L CA -0.064 54.749 54.840 -0.045 0.000 1.119 1009 L CB -0.294 41.638 42.059 -0.212 0.000 1.383 1009 L HN 0.732 nan 8.230 nan 0.000 0.411 1010 S N -1.066 114.496 115.700 -0.230 0.000 2.539 1010 S HA 0.116 4.586 4.470 0.000 0.000 0.221 1010 S C 1.790 176.293 174.600 -0.161 0.000 0.987 1010 S CA 0.219 58.112 58.200 -0.511 0.000 0.929 1010 S CB 0.682 63.636 63.200 -0.410 0.000 0.832 1010 S HN 0.513 nan 8.310 nan 0.000 0.492 1011 A N 1.851 124.623 122.820 -0.080 0.000 2.024 1011 A HA 0.354 4.674 4.320 0.000 0.000 0.220 1011 A C 2.202 179.631 177.584 -0.259 0.000 1.164 1011 A CA 1.629 53.489 52.037 -0.296 0.000 0.643 1011 A CB -1.401 17.147 19.000 -0.755 0.000 0.806 1011 A HN 1.528 nan 8.150 nan 0.000 0.451 1012 G N -1.860 106.878 108.800 -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 45.548 45.100 -0.009 0.000 0.629 1012 G HN 0.728 nan 8.290 nan 0.000 0.514 1013 R N -0.652 119.656 120.500 -0.319 0.000 2.574 1013 R HA 0.650 4.990 4.340 0.000 0.000 0.288 1013 R C -1.626 174.332 176.300 -0.569 0.000 1.004 1013 R CA -0.632 55.333 56.100 -0.224 0.000 0.895 1013 R CB 1.581 31.818 30.300 -0.106 0.000 1.191 1013 R HN 0.215 nan 8.270 nan 0.000 0.444 1014 Y N 0.317 120.614 120.300 -0.006 0.000 2.477 1014 Y HA 0.377 4.927 4.550 0.000 0.000 0.347 1014 Y C -0.369 175.703 175.900 0.287 0.000 0.981 1014 Y CA -0.900 57.192 58.100 -0.014 0.000 1.033 1014 Y CB 2.167 40.443 38.460 -0.308 0.000 1.245 1014 Y HN 0.591 nan 8.280 nan 0.000 0.455 1015 H N 2.604 121.975 119.070 0.500 0.000 2.771 1015 H HA 0.643 5.199 4.556 0.000 0.000 0.361 1015 H C -1.742 173.956 175.328 0.618 0.000 1.108 1015 H CA -0.982 55.326 56.048 0.434 0.000 1.201 1015 H CB 1.320 31.227 29.762 0.242 0.000 1.681 1015 H HN 0.597 nan 8.280 nan 0.000 0.534 1016 Y N 1.277 121.278 120.300 -0.498 0.000 2.656 1016 Y HA 0.526 5.076 4.550 0.000 0.000 0.334 1016 Y C -2.008 173.685 175.900 -0.346 0.000 1.179 1016 Y CA -1.097 56.825 58.100 -0.297 0.000 1.050 1016 Y CB 1.309 39.712 38.460 -0.095 0.000 1.308 1016 Y HN 0.700 nan 8.280 nan 0.000 0.456 1017 Q N 2.768 122.542 119.800 -0.044 0.000 2.416 1017 Q HA 0.806 5.146 4.340 0.000 0.000 0.281 1017 Q C -1.929 174.138 176.000 0.111 0.000 1.067 1017 Q CA -1.125 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 0.823 122.094 121.223 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 1.429 121.482 119.914 0.233 0.000 2.531 1019 V HA 0.484 4.604 4.120 0.000 0.000 0.301 1019 V C -1.039 175.251 176.094 0.326 0.000 1.034 1019 V CA -0.452 62.003 62.300 0.257 0.000 0.865 1019 V CB 2.135 34.081 31.823 0.205 0.000 0.995 1019 V HN 0.638 nan 8.190 nan 0.000 0.424 1023 K N 0.000 120.337 120.400 -0.106 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