REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1jz1_1_O 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 -1.958 112.628 114.554 0.053 0.000 3.100 4 T HA 0.205 4.555 4.350 -0.000 0.000 0.253 4 T C 0.790 175.528 174.700 0.062 0.000 1.118 4 T CA 0.998 63.116 62.100 0.031 0.000 1.058 4 T CB -0.466 68.417 68.868 0.026 0.000 0.953 4 T HN 0.312 nan 8.240 nan 0.000 0.515 5 D N 2.303 122.797 120.400 0.156 0.000 2.340 5 D HA 0.089 4.729 4.640 -0.000 0.000 0.220 5 D C 0.975 177.473 176.300 0.330 0.000 1.039 5 D CA 0.121 54.323 54.000 0.337 0.000 0.866 5 D CB 0.002 41.052 40.800 0.417 0.000 0.913 5 D HN 0.564 nan 8.370 nan 0.000 0.523 6 S N 0.310 116.093 115.700 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 -0.648 57.595 58.200 0.073 0.000 1.058 6 S CB 1.070 64.284 63.200 0.025 0.000 0.882 6 S HN -0.116 nan 8.310 nan 0.000 0.498 7 L N 4.146 125.400 121.223 0.051 0.000 1.997 7 L HA -0.127 4.213 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 2.600 57.476 54.840 0.061 0.000 0.763 7 L CB -1.791 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 -1.378 121.448 122.820 0.010 0.000 1.940 8 A HA -0.238 4.082 4.320 -0.000 0.000 0.221 8 A C 2.490 180.070 177.584 -0.006 0.000 1.190 8 A CA 2.437 54.477 52.037 0.005 0.000 0.647 8 A CB -1.064 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 -0.914 118.987 119.914 -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 1.719 63.984 62.300 -0.058 0.000 1.013 9 V CB -0.391 31.402 31.823 -0.050 0.000 0.652 9 V HN 0.368 nan 8.190 nan 0.000 0.452 10 V N 0.685 120.500 119.914 -0.165 0.000 2.231 10 V HA -0.305 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 64.433 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 0.351 121.567 121.223 -0.012 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 0.813 55.789 54.840 0.226 0.000 0.859 11 L CB -0.799 41.432 42.059 0.286 0.000 0.973 11 L HN 0.432 nan 8.230 nan 0.000 0.451 12 Q N 1.043 120.843 119.800 -0.000 0.000 2.079 12 Q HA -0.149 4.191 4.340 -0.000 0.000 0.200 12 Q C 2.312 178.253 176.000 -0.098 0.000 0.974 12 Q CA 1.493 57.275 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 0.371 120.789 120.500 -0.136 0.000 2.105 13 R HA -0.007 4.333 4.340 -0.000 0.000 0.239 13 R C 0.340 176.444 176.300 -0.327 0.000 1.135 13 R CA 1.158 57.143 56.100 -0.193 0.000 0.967 13 R CB -0.265 29.921 30.300 -0.190 0.000 0.861 13 R HN 0.356 nan 8.270 nan 0.000 0.442 14 R N 0.749 120.943 120.500 -0.511 0.000 3.261 14 R HA -0.126 4.214 4.340 -0.000 0.000 0.257 14 R C -0.050 175.695 176.300 -0.926 0.000 1.014 14 R CA 0.412 55.734 56.100 -1.297 0.000 0.681 14 R CB -1.206 28.543 30.300 -0.919 0.000 1.155 14 R HN 0.335 nan 8.270 nan 0.000 0.424 15 D N -0.277 119.802 120.400 -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 1.843 55.631 54.000 -0.353 0.000 0.847 15 D CB -0.153 40.231 40.800 -0.693 0.000 0.942 15 D HN 0.731 nan 8.370 nan 0.000 0.467 16 W N 1.595 122.933 121.300 0.064 0.000 3.204 16 W HA 0.133 4.793 4.660 -0.000 0.000 0.249 16 W C 0.459 177.092 176.519 0.190 0.000 1.322 16 W CA -0.114 57.369 57.345 0.229 0.000 1.593 16 W CB -0.245 29.380 29.460 0.274 0.000 1.122 16 W HN -0.166 nan 8.180 nan 0.000 0.710 17 E N 0.941 120.971 120.200 -0.284 0.000 2.995 17 E HA 0.058 4.408 4.350 -0.000 0.000 0.203 17 E C -0.772 175.720 176.600 -0.180 0.000 0.980 17 E CA -0.224 56.091 56.400 -0.141 0.000 1.172 17 E CB -0.179 29.474 29.700 -0.079 0.000 1.088 17 E HN 0.094 nan 8.360 nan 0.000 0.463 18 N N 1.226 119.839 118.700 -0.145 0.000 2.594 18 N HA 0.136 4.876 4.740 -0.000 0.000 0.280 18 N C -2.244 173.148 175.510 -0.197 0.000 1.156 18 N CA -1.950 50.980 53.050 -0.200 0.000 0.831 18 N CB 1.480 39.853 38.487 -0.190 0.000 1.379 18 N HN -0.234 nan 8.380 nan 0.000 0.536 19 P HA -0.046 nan 4.420 nan 0.000 0.220 19 P C 1.174 178.246 177.300 -0.380 0.000 1.144 19 P CA 1.055 63.830 63.100 -0.541 0.000 0.800 19 P CB 0.132 31.065 31.700 -1.278 0.000 0.772 20 G N -0.595 108.020 108.800 -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 0.207 45.181 45.100 -0.211 0.000 0.784 20 G HN 0.239 nan 8.290 nan 0.000 0.543 21 V N 1.224 121.090 119.914 -0.080 0.000 2.350 21 V HA 0.401 4.521 4.120 -0.000 0.000 0.285 21 V C 0.854 177.017 176.094 0.114 0.000 1.014 21 V CA 0.183 62.492 62.300 0.014 0.000 0.831 21 V CB 1.309 33.136 31.823 0.006 0.000 1.000 21 V HN 0.299 nan 8.190 nan 0.000 0.433 22 T N 0.755 115.364 114.554 0.091 0.000 3.003 22 T HA 0.354 4.704 4.350 -0.000 0.000 0.261 22 T C 0.236 174.962 174.700 0.044 0.000 1.003 22 T CA 0.235 62.383 62.100 0.080 0.000 0.917 22 T CB 0.401 69.275 68.868 0.009 0.000 1.084 22 T HN 0.704 nan 8.240 nan 0.000 0.522 23 Q N 0.395 120.267 119.800 0.121 0.000 2.687 23 Q HA 0.702 5.042 4.340 -0.000 0.000 0.295 23 Q C -2.251 173.877 176.000 0.214 0.000 0.920 23 Q CA -1.065 54.799 55.803 0.100 0.000 0.766 23 Q CB 0.982 29.702 28.738 -0.030 0.000 1.467 23 Q HN 0.239 nan 8.270 nan 0.000 0.415 24 L N 1.728 123.100 121.223 0.247 0.000 2.528 24 L HA 0.561 4.901 4.340 -0.000 0.000 0.267 24 L C -0.747 176.266 176.870 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 0.886 119.685 118.700 0.165 0.000 2.741 25 N HA -0.219 4.521 4.740 -0.000 0.000 0.251 25 N C 0.179 175.768 175.510 0.131 0.000 1.112 25 N CA 0.816 53.962 53.050 0.160 0.000 0.750 25 N CB -0.767 37.808 38.487 0.148 0.000 1.119 25 N HN 0.694 nan 8.380 nan 0.000 0.561 26 R N 1.161 121.612 120.500 -0.081 0.000 2.390 26 R HA 0.401 4.741 4.340 -0.000 0.000 0.291 26 R C 0.772 176.900 176.300 -0.286 0.000 1.070 26 R CA -0.443 55.340 56.100 -0.529 0.000 1.014 26 R CB 0.612 30.602 30.300 -0.516 0.000 1.007 26 R HN 0.110 nan 8.270 nan 0.000 0.466 27 L N 2.571 123.612 121.223 -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 0.229 42.265 42.059 -0.039 0.000 1.150 27 L HN 0.739 nan 8.230 nan 0.000 0.514 28 A N 0.240 123.066 122.820 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 -0.175 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 0.823 123.660 122.820 0.027 0.000 2.332 29 A HA 0.692 5.012 4.320 -0.000 0.000 0.258 29 A C 0.065 177.644 177.584 -0.008 0.000 1.087 29 A CA 0.565 52.560 52.037 -0.071 0.000 0.802 29 A CB -0.113 18.817 19.000 -0.118 0.000 1.042 29 A HN 2.035 nan 8.150 nan 0.000 0.489 30 H N -2.449 116.535 119.070 -0.143 0.000 2.921 30 H HA 0.546 5.102 4.556 -0.000 0.000 0.287 30 H C -3.418 171.683 175.328 -0.378 0.000 1.434 30 H CA -1.510 54.408 56.048 -0.216 0.000 1.178 30 H CB 0.066 29.706 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 -1.525 61.347 63.100 -0.380 0.000 0.791 31 P CB -0.407 31.056 31.700 -0.396 0.000 0.978 32 P HA 0.072 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 1.006 64.014 63.100 -0.153 0.000 0.761 32 P CB -0.181 31.515 31.700 -0.006 0.000 0.785 33 F N 1.236 121.317 119.950 0.217 0.000 2.538 33 F HA 0.597 5.124 4.527 -0.000 0.000 0.325 33 F C 1.139 176.917 175.800 -0.036 0.000 1.066 33 F CA -0.962 57.111 58.000 0.123 0.000 0.946 33 F CB 1.996 41.031 39.000 0.057 0.000 1.199 33 F HN 0.223 nan 8.300 nan 0.000 0.473 34 A N 0.255 123.094 122.820 0.032 0.000 2.140 34 A HA 0.274 4.594 4.320 -0.000 0.000 0.199 34 A C 0.879 178.250 177.584 -0.355 0.000 1.416 34 A CA 0.610 52.401 52.037 -0.410 0.000 1.018 34 A CB -0.064 18.118 19.000 -1.363 0.000 1.117 34 A HN 0.820 nan 8.150 nan 0.000 0.480 35 S N -0.593 115.010 115.700 -0.161 0.000 3.748 35 S HA -0.131 4.339 4.470 -0.000 0.000 0.329 35 S C 0.019 174.597 174.600 -0.036 0.000 1.104 35 S CA 0.389 58.523 58.200 -0.110 0.000 0.954 35 S CB -1.848 61.254 63.200 -0.164 0.000 0.910 35 S HN 0.504 nan 8.310 nan 0.000 0.494 36 W N 1.120 122.424 121.300 0.007 0.000 2.226 36 W HA 0.116 4.776 4.660 -0.000 0.000 0.352 36 W C 1.584 178.102 176.519 -0.002 0.000 1.277 36 W CA -0.009 57.344 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 0.035 176.418 176.300 0.139 0.000 0.979 37 R CA -0.086 56.111 56.100 0.161 0.000 1.120 37 R CB 0.358 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 0.898 119.700 118.700 0.170 0.000 2.454 38 N HA -0.011 4.729 4.740 -0.000 0.000 0.291 38 N C 0.584 176.081 175.510 -0.020 0.000 1.079 38 N CA 0.168 53.262 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 3.250 118.918 115.700 -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 1.341 59.462 58.200 -0.131 0.000 1.074 39 S CB -0.332 62.825 63.200 -0.073 0.000 0.962 39 S HN 0.666 nan 8.310 nan 0.000 0.433 40 E N 1.247 121.330 120.200 -0.196 0.000 2.086 40 E HA -0.178 4.172 4.350 -0.000 0.000 0.200 40 E C 2.223 178.650 176.600 -0.290 0.000 1.012 40 E CA 1.684 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 0.211 120.272 120.200 -0.233 0.000 2.038 41 E HA -0.193 4.157 4.350 -0.000 0.000 0.195 41 E C 2.055 178.234 176.600 -0.700 0.000 1.000 41 E CA 1.166 57.439 56.400 -0.213 0.000 0.803 41 E CB -0.156 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 1.579 123.585 122.820 -1.357 0.000 1.877 42 A HA -0.236 4.084 4.320 -0.000 0.000 0.216 42 A C 2.121 179.064 177.584 -1.067 0.000 1.186 42 A CA 1.802 52.486 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 -0.419 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 -2.782 111.562 114.554 -0.350 0.000 3.134 44 T HA 0.122 4.472 4.350 -0.000 0.000 0.260 44 T C -0.007 174.636 174.700 -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 0.272 nan 8.240 nan 0.000 0.553 45 D N 1.480 121.800 120.400 -0.132 0.000 2.723 45 D HA -0.152 4.488 4.640 -0.000 0.000 0.236 45 D C 0.339 176.789 176.300 0.251 0.000 1.138 45 D CA 0.395 54.464 54.000 0.116 0.000 0.676 45 D CB -0.619 40.263 40.800 0.136 0.000 1.069 45 D HN 0.504 nan 8.370 nan 0.000 0.430 46 R N -0.364 120.301 120.500 0.276 0.000 2.745 46 R HA 0.560 4.900 4.340 -0.000 0.000 0.251 46 R C -2.083 174.484 176.300 0.445 0.000 1.257 46 R CA -0.942 55.343 56.100 0.308 0.000 1.102 46 R CB -0.373 30.061 30.300 0.224 0.000 1.151 46 R HN 0.136 nan 8.270 nan 0.000 0.571 47 P HA 0.153 nan 4.420 nan 0.000 0.301 47 P C -0.985 176.359 177.300 0.074 0.000 1.337 47 P CA -0.420 62.773 63.100 0.155 0.000 0.889 47 P CB 1.682 33.443 31.700 0.102 0.000 1.050 48 S N 1.844 117.447 115.700 -0.162 0.000 2.508 48 S HA 0.133 4.603 4.470 -0.000 0.000 0.284 48 S C 1.048 175.609 174.600 -0.064 0.000 1.192 48 S CA -0.454 57.597 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 2.346 122.163 119.800 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 0.520 56.400 55.803 0.128 0.000 0.894 49 Q CB -0.163 28.663 28.738 0.146 0.000 0.965 49 Q HN 0.783 nan 8.270 nan 0.000 0.475 50 Q N 0.529 120.399 119.800 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 0.226 56.075 55.803 0.078 0.000 0.946 50 Q CB -0.056 28.624 28.738 -0.096 0.000 1.027 50 Q HN 0.167 nan 8.270 nan 0.000 0.513 51 L N 1.007 122.300 121.223 0.115 0.000 2.343 51 L HA 0.481 4.821 4.340 -0.000 0.000 0.278 51 L C -1.170 175.784 176.870 0.140 0.000 0.996 51 L CA -0.390 54.506 54.840 0.093 0.000 0.831 51 L CB 1.531 43.565 42.059 -0.042 0.000 1.232 51 L HN -0.110 nan 8.230 nan 0.000 0.413 52 R N 2.729 123.334 120.500 0.175 0.000 2.575 52 R HA 0.469 4.809 4.340 -0.000 0.000 0.293 52 R C -1.046 175.287 176.300 0.055 0.000 0.983 52 R CA -0.544 55.626 56.100 0.116 0.000 0.887 52 R CB 2.269 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 3.148 118.868 115.700 0.034 0.000 2.562 53 S HA 0.307 4.777 4.470 -0.000 0.000 0.275 53 S C 0.860 175.474 174.600 0.023 0.000 1.281 53 S CA -0.528 57.686 58.200 0.023 0.000 1.045 53 S CB 0.565 63.786 63.200 0.035 0.000 0.962 53 S HN 0.566 nan 8.310 nan 0.000 0.503 54 L N 3.490 124.736 121.223 0.039 0.000 2.910 54 L HA 0.299 4.639 4.340 -0.000 0.000 0.252 54 L C 0.083 177.156 176.870 0.338 0.000 1.195 54 L CA -0.316 54.588 54.840 0.107 0.000 1.003 54 L CB -0.509 41.587 42.059 0.062 0.000 1.328 54 L HN 0.521 nan 8.230 nan 0.000 0.540 55 N N 1.694 120.511 118.700 0.194 0.000 2.513 55 N HA 0.480 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 0.921 109.905 108.800 0.307 0.000 2.403 56 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.223 56 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.223 56 G C -1.378 173.777 174.900 0.425 0.000 1.287 56 G CA -0.766 44.503 45.100 0.282 0.000 0.982 56 G HN 0.452 nan 8.290 nan 0.000 0.471 57 E N -0.413 119.979 120.200 0.320 0.000 2.338 57 E HA 0.516 4.866 4.350 -0.000 0.000 0.272 57 E C -1.060 175.792 176.600 0.420 0.000 1.029 57 E CA 0.038 56.626 56.400 0.314 0.000 0.872 57 E CB 0.774 30.574 29.700 0.167 0.000 1.015 57 E HN 0.390 nan 8.360 nan 0.000 0.417 58 W N 1.399 122.774 121.300 0.125 0.000 3.038 58 W HA 0.408 5.068 4.660 -0.000 0.000 0.347 58 W C -0.569 176.051 176.519 0.169 0.000 1.219 58 W CA -0.689 56.759 57.345 0.171 0.000 1.142 58 W CB 1.004 30.614 29.460 0.249 0.000 1.484 58 W HN 0.273 nan 8.180 nan 0.000 0.586 59 R N 1.604 122.362 120.500 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 32.411 30.300 0.201 0.000 1.123 59 R HN 0.369 nan 8.270 nan 0.000 0.455 60 F N 1.122 121.071 119.950 -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 4.472 126.335 122.820 -1.595 0.000 2.517 61 A HA 0.522 4.842 4.320 -0.000 0.000 0.297 61 A C -2.422 174.282 177.584 -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 -0.510 0.000 1.277 61 A HN 0.968 nan 8.150 nan 0.000 0.400 62 W N 2.644 123.167 121.300 -1.294 0.000 2.551 62 W HA 0.779 5.439 4.660 -0.000 0.000 0.330 62 W C -1.901 174.141 176.519 -0.795 0.000 1.063 62 W CA -0.438 56.365 57.345 -0.902 0.000 1.222 62 W CB 1.205 30.321 29.460 -0.573 0.000 1.349 62 W HN 0.494 nan 8.180 nan 0.000 0.536 63 F N 5.789 125.094 119.950 -1.075 0.000 2.578 63 F HA 0.335 4.862 4.527 -0.000 0.000 0.311 63 F C -1.389 173.539 175.800 -1.454 0.000 1.094 63 F CA -2.668 54.818 58.000 -0.857 0.000 0.923 63 F CB 1.481 40.158 39.000 -0.537 0.000 1.230 63 F HN 0.193 nan 8.300 nan 0.000 0.450 64 P HA 0.027 nan 4.420 nan 0.000 0.225 64 P C -0.185 177.015 177.300 -0.167 0.000 1.148 64 P CA 1.116 64.034 63.100 -0.304 0.000 0.779 64 P CB 0.547 32.316 31.700 0.115 0.000 0.780 65 A N -1.239 121.484 122.820 -0.162 0.000 2.599 65 A HA 0.503 4.823 4.320 -0.000 0.000 0.294 65 A C -2.411 175.070 177.584 -0.170 0.000 1.055 65 A CA -1.003 50.970 52.037 -0.107 0.000 0.683 65 A CB 0.489 19.489 19.000 -0.001 0.000 1.278 65 A HN -0.290 nan 8.150 nan 0.000 0.412 66 P HA -0.145 nan 4.420 nan 0.000 0.215 66 P C 0.891 178.079 177.300 -0.185 0.000 1.153 66 P CA 1.771 64.722 63.100 -0.248 0.000 0.853 66 P CB 0.200 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 1.757 58.139 56.400 -0.031 0.000 0.805 67 E CB -1.284 28.433 29.700 0.030 0.000 0.744 67 E HN 0.184 nan 8.360 nan 0.000 0.451 68 A N 1.113 123.899 122.820 -0.057 0.000 2.139 68 A HA -0.098 4.222 4.320 -0.000 0.000 0.221 68 A C 0.995 178.467 177.584 -0.188 0.000 1.159 68 A CA 0.560 52.594 52.037 -0.006 0.000 0.662 68 A CB -0.599 18.493 19.000 0.154 0.000 0.796 68 A HN 0.078 nan 8.150 nan 0.000 0.463 69 V N 1.969 121.598 119.914 -0.475 0.000 2.655 69 V HA 0.209 4.329 4.120 -0.000 0.000 0.300 69 V C -2.068 173.844 176.094 -0.302 0.000 1.044 69 V CA -1.196 60.656 62.300 -0.747 0.000 1.095 69 V CB 0.634 31.897 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 0.391 177.681 177.300 -0.016 0.000 1.306 70 P CA -0.547 62.523 63.100 -0.050 0.000 0.818 70 P CB 1.640 33.356 31.700 0.027 0.000 0.969 71 E N 1.872 122.055 120.200 -0.029 0.000 2.169 71 E HA -0.232 4.118 4.350 -0.000 0.000 0.202 71 E C 1.634 178.202 176.600 -0.053 0.000 1.016 71 E CA 2.418 58.790 56.400 -0.047 0.000 0.817 71 E CB -0.274 29.398 29.700 -0.046 0.000 0.736 71 E HN 0.453 nan 8.360 nan 0.000 0.462 72 S N -0.231 115.461 115.700 -0.013 0.000 2.400 72 S HA -0.224 4.246 4.470 -0.000 0.000 0.232 72 S C 1.441 176.025 174.600 -0.027 0.000 1.025 72 S CA 1.048 59.238 58.200 -0.016 0.000 0.993 72 S CB -0.735 62.480 63.200 0.024 0.000 0.808 72 S HN 0.546 nan 8.310 nan 0.000 0.478 73 W N 2.729 123.940 121.300 -0.149 0.000 2.308 73 W HA -0.177 4.483 4.660 -0.000 0.000 0.301 73 W C 1.594 177.996 176.519 -0.196 0.000 1.220 73 W CA 1.045 58.291 57.345 -0.165 0.000 1.240 73 W CB -0.667 28.663 29.460 -0.217 0.000 1.142 73 W HN 0.252 nan 8.180 nan 0.000 0.521 74 L N 0.044 120.959 121.223 -0.513 0.000 2.083 74 L HA -0.214 4.126 4.340 -0.000 0.000 0.209 74 L C 2.620 179.206 176.870 -0.474 0.000 1.083 74 L CA 1.522 55.939 54.840 -0.704 0.000 0.752 74 L CB -0.749 40.971 42.059 -0.565 0.000 0.899 74 L HN -0.066 nan 8.230 nan 0.000 0.433 75 E N -1.094 118.929 120.200 -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 56.803 56.400 -0.181 0.000 0.812 75 E CB 0.111 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 1.680 29.407 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 0.237 4.877 4.640 -0.000 0.000 0.238 77 D C -0.049 176.328 176.300 0.128 0.000 1.180 77 D CA 0.421 54.486 54.000 0.108 0.000 0.895 77 D CB 0.607 41.458 40.800 0.086 0.000 1.192 77 D HN 0.342 nan 8.370 nan 0.000 0.438 78 L N 2.229 123.553 121.223 0.168 0.000 2.439 78 L HA 0.204 4.544 4.340 -0.000 0.000 0.259 78 L C -1.108 175.801 176.870 0.065 0.000 1.129 78 L CA -1.567 53.341 54.840 0.114 0.000 0.803 78 L CB 0.586 42.714 42.059 0.115 0.000 1.161 78 L HN 0.236 nan 8.230 nan 0.000 0.462 79 P HA -0.087 nan 4.420 nan 0.000 0.215 79 P C 0.575 177.885 177.300 0.018 0.000 1.157 79 P CA 1.059 64.175 63.100 0.027 0.000 0.856 79 P CB 0.159 31.871 31.700 0.020 0.000 0.786 80 E N 0.037 120.240 120.200 0.005 0.000 2.485 80 E HA 0.274 4.624 4.350 -0.000 0.000 0.194 80 E C 0.707 177.292 176.600 -0.026 0.000 1.098 80 E CA -0.126 56.263 56.400 -0.018 0.000 0.878 80 E CB -0.682 28.991 29.700 -0.045 0.000 0.939 80 E HN 0.207 nan 8.360 nan 0.000 0.503 81 A N 1.132 123.951 122.820 -0.001 0.000 2.351 81 A HA 0.207 4.527 4.320 -0.000 0.000 0.257 81 A C -0.095 177.513 177.584 0.040 0.000 1.087 81 A CA -0.427 51.609 52.037 -0.001 0.000 0.798 81 A CB 0.491 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 0.006 120.451 120.400 0.075 0.000 2.299 82 D HA 0.433 5.073 4.640 -0.000 0.000 0.243 82 D C -0.744 175.641 176.300 0.143 0.000 0.982 82 D CA -0.097 53.977 54.000 0.125 0.000 0.924 82 D CB 1.740 42.668 40.800 0.214 0.000 1.238 82 D HN 0.419 nan 8.370 nan 0.000 0.484 83 T N 0.872 115.497 114.554 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 1.051 69.977 68.868 0.096 0.000 0.932 83 T HN 0.059 nan 8.240 nan 0.000 0.469 84 V N 3.249 123.258 119.914 0.158 0.000 3.078 84 V HA 0.501 4.621 4.120 -0.000 0.000 0.311 84 V C -0.384 175.808 176.094 0.164 0.000 1.138 84 V CA -0.954 61.404 62.300 0.098 0.000 1.007 84 V CB 2.441 34.314 31.823 0.084 0.000 1.045 84 V HN 0.639 nan 8.190 nan 0.000 0.432 85 V N 2.389 122.367 119.914 0.107 0.000 2.509 85 V HA 0.523 4.643 4.120 -0.000 0.000 0.284 85 V C -0.203 175.941 176.094 0.085 0.000 1.047 85 V CA -0.379 61.994 62.300 0.122 0.000 0.952 85 V CB 1.552 33.422 31.823 0.077 0.000 0.988 85 V HN 0.562 nan 8.190 nan 0.000 0.469 86 V N 7.048 126.957 119.914 -0.008 0.000 2.540 86 V HA 0.518 4.638 4.120 -0.000 0.000 0.302 86 V C -2.245 173.758 176.094 -0.152 0.000 1.035 86 V CA -1.569 60.605 62.300 -0.210 0.000 0.873 86 V CB 2.656 34.023 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 1.849 33.459 31.700 -0.150 0.000 1.092 88 S N -0.557 115.125 115.700 -0.030 0.000 2.656 88 S HA 0.386 4.856 4.470 -0.000 0.000 0.265 88 S C -1.523 173.065 174.600 -0.021 0.000 1.110 88 S CA -0.995 57.185 58.200 -0.032 0.000 0.821 88 S CB 0.004 63.211 63.200 0.011 0.000 1.099 88 S HN 0.366 nan 8.310 nan 0.000 0.471 89 N N 0.980 119.590 118.700 -0.151 0.000 2.392 89 N HA 0.469 5.209 4.740 -0.000 0.000 0.283 89 N C 0.387 175.768 175.510 -0.215 0.000 1.003 89 N CA -0.733 52.192 53.050 -0.207 0.000 0.892 89 N CB 0.795 39.102 38.487 -0.300 0.000 1.193 89 N HN 0.827 nan 8.380 nan 0.000 0.487 90 W N 2.739 123.922 121.300 -0.194 0.000 2.425 90 W HA -0.060 4.600 4.660 -0.000 0.000 0.277 90 W C 0.863 177.369 176.519 -0.023 0.000 1.231 90 W CA 0.902 58.145 57.345 -0.170 0.000 1.248 90 W CB -0.368 28.906 29.460 -0.310 0.000 1.117 90 W HN 0.485 nan 8.180 nan 0.000 0.568 91 Q N 0.419 120.217 119.800 -0.003 0.000 2.291 91 Q HA -0.121 4.219 4.340 -0.000 0.000 0.206 91 Q C 1.980 177.956 176.000 -0.040 0.000 0.976 91 Q CA 1.517 57.341 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 -0.780 118.716 119.600 -0.172 0.000 2.630 92 M HA -0.043 4.437 4.480 -0.000 0.000 0.254 92 M C 0.325 176.557 176.300 -0.113 0.000 1.092 92 M CA 1.228 56.391 55.300 -0.227 0.000 1.087 92 M CB -0.539 31.847 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 1.274 176.509 175.328 -0.155 0.000 1.126 93 H CA 0.100 56.180 56.048 0.054 0.000 1.097 93 H CB 0.541 30.466 29.762 0.271 0.000 1.626 93 H HN 0.465 nan 8.280 nan 0.000 0.565 94 G N 0.580 109.402 108.800 0.036 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 45.664 45.100 -0.105 0.000 0.632 94 G HN 0.470 nan 8.290 nan 0.000 0.529 95 Y N 1.999 122.321 120.300 0.036 0.000 2.151 95 Y HA 0.160 4.710 4.550 -0.000 0.000 0.284 95 Y C 1.761 177.451 175.900 -0.349 0.000 1.166 95 Y CA 1.750 59.736 58.100 -0.190 0.000 1.163 95 Y CB -0.190 38.156 38.460 -0.191 0.000 0.974 95 Y HN 0.681 nan 8.280 nan 0.000 0.511 96 D N -2.584 117.937 120.400 0.202 0.000 2.768 96 D HA 0.510 5.150 4.640 -0.000 0.000 0.327 96 D C -1.183 175.236 176.300 0.198 0.000 1.302 96 D CA -0.699 53.418 54.000 0.196 0.000 0.897 96 D CB 0.650 41.717 40.800 0.444 0.000 1.420 96 D HN 0.031 nan 8.370 nan 0.000 0.494 97 A N -0.295 122.642 122.820 0.196 0.000 2.327 97 A HA 0.685 5.005 4.320 -0.000 0.000 0.283 97 A C -2.402 175.230 177.584 0.080 0.000 1.127 97 A CA -1.059 51.071 52.037 0.154 0.000 0.810 97 A CB 0.017 19.153 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 0.967 32.345 31.700 -0.538 0.000 1.013 99 I N 2.378 123.169 120.570 0.369 0.000 2.474 99 I HA 0.321 4.491 4.170 -0.000 0.000 0.294 99 I C -0.443 175.890 176.117 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 39.620 38.000 0.247 0.000 1.289 99 I HN 0.273 nan 8.210 nan 0.000 0.436 100 Y N 5.385 125.678 120.300 -0.012 0.000 2.712 100 Y HA 0.583 5.133 4.550 -0.000 0.000 0.328 100 Y C -0.345 175.415 175.900 -0.234 0.000 0.995 100 Y CA -0.292 57.514 58.100 -0.490 0.000 1.283 100 Y CB 0.906 38.415 38.460 -1.585 0.000 1.092 100 Y HN 0.631 nan 8.280 nan 0.000 0.519 101 T N 4.179 118.213 114.554 -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 70.060 68.868 -0.373 0.000 1.034 101 T HN 0.870 nan 8.240 nan 0.000 0.467 102 N N 2.029 120.333 118.700 -0.661 0.000 2.324 102 N HA 0.021 4.761 4.740 -0.000 0.000 0.192 102 N C 1.360 176.618 175.510 -0.419 0.000 1.046 102 N CA 0.560 53.361 53.050 -0.414 0.000 0.898 102 N CB 0.260 38.528 38.487 -0.366 0.000 1.079 102 N HN 0.350 nan 8.380 nan 0.000 0.456 103 V N 0.396 119.988 119.914 -0.537 0.000 2.627 103 V HA 0.079 4.199 4.120 -0.000 0.000 0.239 103 V C 0.551 176.309 176.094 -0.560 0.000 1.077 103 V CA 0.661 62.542 62.300 -0.699 0.000 1.103 103 V CB -0.021 31.351 31.823 -0.752 0.000 0.802 103 V HN 0.277 nan 8.190 nan 0.000 0.482 104 T N 1.337 115.640 114.554 -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 68.406 68.868 -0.211 0.000 0.928 104 T HN 0.188 nan 8.240 nan 0.000 0.538 105 Y N 4.789 124.987 120.300 -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 -1.862 56.125 58.100 -0.188 0.000 1.465 105 Y CB 0.397 38.747 38.460 -0.183 0.000 1.283 105 Y HN 0.560 nan 8.280 nan 0.000 0.563 106 P HA -0.125 nan 4.420 nan 0.000 0.218 106 P C 0.185 177.301 177.300 -0.307 0.000 1.149 106 P CA 1.346 64.334 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 -0.445 175.535 176.117 -0.229 0.000 1.089 107 I CA -0.991 60.041 61.300 -0.448 0.000 1.023 107 I CB 1.280 38.839 38.000 -0.735 0.000 1.269 107 I HN -0.397 nan 8.210 nan 0.000 0.512 108 T N 2.347 116.809 114.554 -0.154 0.000 2.907 108 T HA 0.246 4.596 4.350 -0.000 0.000 0.298 108 T C 0.122 174.813 174.700 -0.016 0.000 1.017 108 T CA -0.413 61.656 62.100 -0.052 0.000 1.118 108 T CB 1.065 69.929 68.868 -0.006 0.000 0.948 108 T HN 0.392 nan 8.240 nan 0.000 0.531 109 V N 4.345 124.272 119.914 0.022 0.000 2.352 109 V HA 0.269 4.389 4.120 -0.000 0.000 0.253 109 V C 0.651 176.808 176.094 0.105 0.000 1.083 109 V CA -0.269 62.074 62.300 0.072 0.000 0.993 109 V CB -0.613 31.240 31.823 0.050 0.000 1.111 109 V HN 0.862 nan 8.190 nan 0.000 0.490 110 N N 5.318 124.142 118.700 0.207 0.000 2.679 110 N HA 0.244 4.984 4.740 -0.000 0.000 0.240 110 N C -2.975 172.621 175.510 0.143 0.000 1.537 110 N CA -1.183 51.975 53.050 0.180 0.000 0.793 110 N CB 1.464 40.108 38.487 0.261 0.000 1.391 110 N HN 0.283 nan 8.380 nan 0.000 0.524 111 P HA 0.190 nan 4.420 nan 0.000 0.266 111 P C -2.348 174.654 177.300 -0.498 0.000 1.195 111 P CA -0.739 61.916 63.100 -0.741 0.000 0.768 111 P CB 0.370 31.375 31.700 -1.159 0.000 0.838 112 P HA 0.262 nan 4.420 nan 0.000 0.248 112 P C -0.742 176.421 177.300 -0.227 0.000 1.708 112 P CA -0.276 62.575 63.100 -0.415 0.000 1.062 112 P CB -0.286 31.183 31.700 -0.386 0.000 1.562 113 F N -0.364 119.721 119.950 0.225 0.000 2.404 113 F HA 0.292 4.819 4.527 -0.000 0.000 0.345 113 F C 1.055 177.031 175.800 0.294 0.000 1.110 113 F CA -1.171 56.967 58.000 0.229 0.000 1.130 113 F CB 1.298 40.374 39.000 0.128 0.000 1.129 113 F HN -0.291 nan 8.300 nan 0.000 0.500 114 V N 4.210 124.422 119.914 0.496 0.000 2.863 114 V HA 0.345 4.465 4.120 -0.000 0.000 0.307 114 V C -1.856 174.424 176.094 0.310 0.000 1.061 114 V CA -1.796 60.720 62.300 0.361 0.000 1.024 114 V CB 1.519 33.652 31.823 0.516 0.000 1.049 114 V HN 0.542 nan 8.190 nan 0.000 0.471 115 P HA 0.096 nan 4.420 nan 0.000 0.274 115 P C 0.802 178.256 177.300 0.257 0.000 1.231 115 P CA 0.049 63.258 63.100 0.181 0.000 0.790 115 P CB 0.604 32.369 31.700 0.109 0.000 0.951 116 T N -0.262 114.407 114.554 0.192 0.000 2.759 116 T HA -0.168 4.182 4.350 -0.000 0.000 0.269 116 T C 0.314 175.128 174.700 0.190 0.000 1.042 116 T CA 1.259 63.472 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 0.398 nan 8.240 nan 0.000 0.455 117 E N 2.821 123.137 120.200 0.194 0.000 1.963 117 E HA 0.429 4.779 4.350 -0.000 0.000 0.274 117 E C -0.671 176.085 176.600 0.259 0.000 1.061 117 E CA -0.314 56.202 56.400 0.192 0.000 0.847 117 E CB 0.441 30.259 29.700 0.198 0.000 1.083 117 E HN 0.442 nan 8.360 nan 0.000 0.402 118 N N 3.347 122.153 118.700 0.177 0.000 2.540 118 N HA 0.295 5.035 4.740 -0.000 0.000 0.275 118 N C -2.818 172.666 175.510 -0.043 0.000 1.053 118 N CA -2.682 50.473 53.050 0.174 0.000 0.876 118 N CB 1.205 39.853 38.487 0.268 0.000 1.284 118 N HN -0.028 nan 8.380 nan 0.000 0.518 119 P HA -0.009 nan 4.420 nan 0.000 0.253 119 P C -0.721 176.457 177.300 -0.204 0.000 1.170 119 P CA 0.587 63.584 63.100 -0.172 0.000 0.806 119 P CB -0.041 31.843 31.700 0.307 0.000 0.775 120 T N 2.762 116.993 114.554 -0.538 0.000 2.829 120 T HA 0.581 4.931 4.350 -0.000 0.000 0.282 120 T C 0.597 174.883 174.700 -0.691 0.000 0.990 120 T CA -0.469 61.375 62.100 -0.426 0.000 1.028 120 T CB 1.529 70.154 68.868 -0.405 0.000 0.951 120 T HN 0.301 nan 8.240 nan 0.000 0.460 121 G N 0.974 109.514 108.800 -0.433 0.000 2.605 121 G HA2 0.487 4.447 3.960 -0.000 0.000 0.304 121 G HA3 0.487 4.447 3.960 -0.000 0.000 0.304 121 G C -0.381 174.459 174.900 -0.100 0.000 1.333 121 G CA -0.486 44.356 45.100 -0.429 0.000 0.973 121 G HN 0.904 nan 8.290 nan 0.000 0.507 122 C N 3.070 122.026 119.300 -0.575 0.000 2.246 122 C HA 0.514 4.974 4.460 -0.000 0.000 0.329 122 C C -0.577 174.359 174.990 -0.090 0.000 1.221 122 C CA -1.139 57.529 59.018 -0.584 0.000 1.697 122 C CB -1.696 25.036 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 0.725 177.099 175.900 0.789 0.000 1.067 123 Y CA -0.513 57.955 58.100 0.613 0.000 1.114 123 Y CB 1.383 40.199 38.460 0.594 0.000 1.208 123 Y HN 0.701 nan 8.280 nan 0.000 0.458 124 S N 3.082 119.277 115.700 0.826 0.000 2.546 124 S HA 0.832 5.302 4.470 -0.000 0.000 0.274 124 S C -1.557 173.124 174.600 0.135 0.000 1.121 124 S CA -0.884 57.604 58.200 0.481 0.000 0.887 124 S CB 2.342 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 0.663 5.003 4.340 -0.000 0.000 0.261 125 L C -1.536 175.303 176.870 -0.052 0.000 0.932 125 L CA 0.004 54.603 54.840 -0.401 0.000 0.878 125 L CB 2.192 43.398 42.059 -1.421 0.000 1.333 125 L HN 0.770 nan 8.230 nan 0.000 0.409 126 T N 5.298 119.839 114.554 -0.021 0.000 2.794 126 T HA 0.780 5.130 4.350 -0.000 0.000 0.280 126 T C -0.885 173.908 174.700 0.154 0.000 0.987 126 T CA -0.081 62.054 62.100 0.058 0.000 0.993 126 T CB 0.620 69.468 68.868 -0.034 0.000 0.939 126 T HN 0.488 nan 8.240 nan 0.000 0.449 127 F N 0.675 120.544 119.950 -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 0.751 5.491 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 52.339 53.050 -0.153 0.000 0.931 128 N CB 2.212 40.638 38.487 -0.101 0.000 1.193 128 N HN 0.591 nan 8.380 nan 0.000 0.500 129 V N 0.957 120.779 119.914 -0.155 0.000 2.577 129 V HA 0.260 4.380 4.120 -0.000 0.000 0.303 129 V C -0.586 175.382 176.094 -0.211 0.000 1.042 129 V CA -1.031 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 3.403 123.578 120.400 -0.376 0.000 2.455 130 D HA -0.012 4.628 4.640 -0.000 0.000 0.241 130 D C 1.274 177.490 176.300 -0.139 0.000 1.138 130 D CA 0.180 54.009 54.000 -0.285 0.000 0.877 130 D CB 1.301 41.881 40.800 -0.366 0.000 1.187 130 D HN 0.821 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 1.399 178.039 176.600 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 0.336 116.069 115.700 0.055 0.000 2.380 132 S HA -0.205 4.265 4.470 -0.000 0.000 0.229 132 S C 1.557 176.260 174.600 0.172 0.000 1.043 132 S CA 1.490 59.755 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 0.539 nan 8.310 nan 0.000 0.456 133 W N 1.213 122.381 121.300 -0.220 0.000 2.402 133 W HA 0.241 4.901 4.660 -0.000 0.000 0.286 133 W C 2.274 178.750 176.519 -0.072 0.000 1.221 133 W CA 0.134 57.220 57.345 -0.431 0.000 1.257 133 W CB -0.962 28.269 29.460 -0.382 0.000 1.120 133 W HN 0.327 nan 8.180 nan 0.000 0.551 134 L N -0.272 121.092 121.223 0.235 0.000 2.291 134 L HA -0.188 4.152 4.340 -0.000 0.000 0.214 134 L C 2.245 179.196 176.870 0.135 0.000 1.120 134 L CA 0.986 55.931 54.840 0.176 0.000 0.799 134 L CB -0.357 41.772 42.059 0.116 0.000 0.925 134 L HN 0.027 nan 8.230 nan 0.000 0.446 135 Q N -0.322 119.551 119.800 0.122 0.000 1.864 135 Q HA -0.098 4.242 4.340 -0.000 0.000 0.219 135 Q C 0.898 176.960 176.000 0.103 0.000 0.975 135 Q CA 0.964 56.823 55.803 0.094 0.000 0.862 135 Q CB -0.114 28.670 28.738 0.078 0.000 0.913 135 Q HN 0.230 nan 8.270 nan 0.000 0.431 136 E N 0.674 120.946 120.200 0.120 0.000 2.292 136 E HA 0.398 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 0.474 30.225 29.700 0.084 0.000 1.161 136 E HN 0.411 nan 8.360 nan 0.000 0.453 137 G N 0.595 109.417 108.800 0.036 0.000 2.645 137 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.239 137 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.239 137 G C -0.829 173.974 174.900 -0.160 0.000 1.331 137 G CA 0.242 45.251 45.100 -0.153 0.000 0.890 137 G HN 0.844 nan 8.290 nan 0.000 0.572 138 Q N -0.572 118.973 119.800 -0.425 0.000 2.347 138 Q HA 0.644 4.984 4.340 -0.000 0.000 0.271 138 Q C -1.324 174.532 176.000 -0.241 0.000 1.064 138 Q CA -0.453 55.214 55.803 -0.227 0.000 0.800 138 Q CB 1.981 30.637 28.738 -0.136 0.000 1.304 138 Q HN 0.651 nan 8.270 nan 0.000 0.438 139 T N 4.730 119.295 114.554 0.018 0.000 2.815 139 T HA 0.517 4.867 4.350 -0.000 0.000 0.289 139 T C -0.751 174.029 174.700 0.133 0.000 1.000 139 T CA -0.643 61.526 62.100 0.115 0.000 0.958 139 T CB 0.680 69.746 68.868 0.331 0.000 0.944 139 T HN 0.640 nan 8.240 nan 0.000 0.442 140 R N 3.320 123.878 120.500 0.096 0.000 2.854 140 R HA 0.740 5.080 4.340 -0.000 0.000 0.271 140 R C -1.258 175.107 176.300 0.109 0.000 0.994 140 R CA -0.973 55.197 56.100 0.118 0.000 0.945 140 R CB 1.672 32.028 30.300 0.092 0.000 1.194 140 R HN 0.519 nan 8.270 nan 0.000 0.476 141 I N 2.659 123.298 120.570 0.114 0.000 2.525 141 I HA 0.478 4.648 4.170 -0.000 0.000 0.301 141 I C -1.076 175.037 176.117 -0.006 0.000 0.992 141 I CA -1.465 59.845 61.300 0.017 0.000 1.162 141 I CB 1.598 39.597 38.000 -0.002 0.000 1.332 141 I HN 0.661 nan 8.210 nan 0.000 0.458 142 I N 6.459 126.902 120.570 -0.211 0.000 2.512 142 I HA 0.263 4.433 4.170 -0.000 0.000 0.287 142 I C -1.360 174.491 176.117 -0.443 0.000 1.069 142 I CA -0.403 60.781 61.300 -0.193 0.000 1.056 142 I CB 1.864 39.806 38.000 -0.097 0.000 1.229 142 I HN 0.329 nan 8.210 nan 0.000 0.429 143 F N 4.332 124.281 119.950 -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 -0.431 57.496 58.000 -0.122 0.000 1.116 143 F CB 0.736 39.641 39.000 -0.159 0.000 1.230 143 F HN 0.469 nan 8.300 nan 0.000 0.484 144 D N 2.361 122.702 120.400 -0.097 0.000 2.310 144 D HA 0.056 4.696 4.640 -0.000 0.000 0.212 144 D C 0.952 177.097 176.300 -0.258 0.000 0.965 144 D CA 0.906 54.800 54.000 -0.176 0.000 0.879 144 D CB 0.366 41.025 40.800 -0.236 0.000 0.921 144 D HN 0.663 nan 8.370 nan 0.000 0.510 145 G N -0.706 107.868 108.800 -0.376 0.000 2.617 145 G HA2 0.408 4.368 3.960 -0.000 0.000 0.305 145 G HA3 0.408 4.368 3.960 -0.000 0.000 0.305 145 G C -1.589 172.848 174.900 -0.772 0.000 1.436 145 G CA -0.526 44.179 45.100 -0.657 0.000 1.036 145 G HN -0.060 nan 8.290 nan 0.000 0.589 146 V N 2.428 122.124 119.914 -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 1.836 33.259 31.823 -0.667 0.000 1.009 146 V HN 0.782 nan 8.190 nan 0.000 0.429 147 N N 2.558 121.371 118.700 0.188 0.000 2.392 147 N HA 0.378 5.118 4.740 -0.000 0.000 0.283 147 N C 0.710 176.179 175.510 -0.068 0.000 1.003 147 N CA 0.171 53.263 53.050 0.070 0.000 0.892 147 N CB 2.406 40.856 38.487 -0.062 0.000 1.193 147 N HN 0.632 nan 8.380 nan 0.000 0.487 148 S N 2.243 117.926 115.700 -0.027 0.000 2.514 148 S HA 0.509 4.979 4.470 -0.000 0.000 0.223 148 S C 0.485 175.149 174.600 0.107 0.000 1.046 148 S CA 0.281 58.516 58.200 0.057 0.000 0.914 148 S CB 0.162 63.415 63.200 0.087 0.000 0.807 148 S HN 0.705 nan 8.310 nan 0.000 0.497 149 A N 0.716 123.610 122.820 0.124 0.000 2.566 149 A HA 0.849 5.169 4.320 -0.000 0.000 0.292 149 A C -1.168 176.561 177.584 0.240 0.000 1.112 149 A CA -0.968 51.133 52.037 0.107 0.000 0.707 149 A CB 1.079 20.162 19.000 0.139 0.000 1.302 149 A HN 1.219 nan 8.150 nan 0.000 0.409 150 F N -0.985 118.831 119.950 -0.224 0.000 2.746 150 F HA 0.624 5.151 4.527 -0.000 0.000 0.311 150 F C -1.464 174.322 175.800 -0.022 0.000 1.135 150 F CA -0.812 57.149 58.000 -0.065 0.000 0.954 150 F CB 0.873 39.810 39.000 -0.105 0.000 1.276 150 F HN 0.654 nan 8.300 nan 0.000 0.440 151 H N 1.945 121.190 119.070 0.291 0.000 2.533 151 H HA 0.821 5.377 4.556 -0.000 0.000 0.343 151 H C -1.350 174.059 175.328 0.136 0.000 1.160 151 H CA -0.678 55.488 56.048 0.196 0.000 1.218 151 H CB 2.325 32.273 29.762 0.309 0.000 1.566 151 H HN 0.859 nan 8.280 nan 0.000 0.522 152 L N 1.901 123.030 121.223 -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 -0.507 54.248 54.840 -0.141 0.000 0.827 152 L CB 1.871 43.789 42.059 -0.235 0.000 1.317 152 L HN 0.502 nan 8.230 nan 0.000 0.407 153 W N 4.030 125.302 121.300 -0.047 0.000 2.864 153 W HA 0.649 5.309 4.660 -0.000 0.000 0.343 153 W C -1.164 175.287 176.519 -0.114 0.000 1.109 153 W CA -0.827 56.460 57.345 -0.097 0.000 1.192 153 W CB 2.114 31.547 29.460 -0.045 0.000 1.426 153 W HN 0.689 nan 8.180 nan 0.000 0.529 154 C N 4.737 124.119 119.300 0.137 0.000 2.446 154 C HA 0.294 4.754 4.460 -0.000 0.000 0.329 154 C C 0.014 175.112 174.990 0.181 0.000 1.166 154 C CA -0.429 58.645 59.018 0.093 0.000 1.341 154 C CB -0.613 27.096 27.740 -0.052 0.000 1.970 154 C HN 0.795 nan 8.230 nan 0.000 0.452 155 N N 3.869 122.639 118.700 0.118 0.000 2.725 155 N HA -0.183 4.557 4.740 -0.000 0.000 0.251 155 N C 1.010 176.581 175.510 0.103 0.000 1.031 155 N CA 2.012 55.108 53.050 0.078 0.000 0.720 155 N CB -1.288 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 -1.204 107.642 108.800 0.077 0.000 2.234 156 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.260 156 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.260 156 G C 0.232 175.310 174.900 0.296 0.000 0.987 156 G CA 0.665 45.804 45.100 0.065 0.000 0.625 156 G HN 0.576 nan 8.290 nan 0.000 0.532 157 R N -0.730 120.011 120.500 0.402 0.000 2.297 157 R HA 0.432 4.772 4.340 -0.000 0.000 0.308 157 R C -0.051 176.569 176.300 0.534 0.000 1.029 157 R CA -0.873 55.542 56.100 0.525 0.000 0.929 157 R CB 0.608 31.235 30.300 0.545 0.000 1.046 157 R HN 0.260 nan 8.270 nan 0.000 0.461 158 W N 4.102 125.550 121.300 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 57.121 57.345 -0.465 0.000 1.234 158 W CB 0.626 29.838 29.460 -0.413 0.000 1.212 158 W HN 0.349 nan 8.180 nan 0.000 0.557 159 V N 4.955 123.941 119.914 -1.546 0.000 2.840 159 V HA 0.585 4.705 4.120 -0.000 0.000 0.234 159 V C 0.971 176.015 176.094 -1.750 0.000 1.159 159 V CA 0.849 62.339 62.300 -1.349 0.000 1.194 159 V CB -0.332 30.790 31.823 -1.167 0.000 0.971 159 V HN 0.788 nan 8.190 nan 0.000 0.494 160 G N -1.699 105.904 108.800 -1.994 0.000 2.489 160 G HA2 0.507 4.467 3.960 -0.000 0.000 0.305 160 G HA3 0.507 4.467 3.960 -0.000 0.000 0.305 160 G C -2.454 172.173 174.900 -0.454 0.000 1.311 160 G CA -0.263 44.120 45.100 -1.196 0.000 0.813 160 G HN 0.034 nan 8.290 nan 0.000 0.480 161 Y N -0.686 119.499 120.300 -0.192 0.000 2.588 161 Y HA 0.725 5.275 4.550 -0.000 0.000 0.343 161 Y C -0.076 175.663 175.900 -0.269 0.000 1.065 161 Y CA -0.087 57.810 58.100 -0.339 0.000 1.038 161 Y CB 2.260 40.635 38.460 -0.142 0.000 1.297 161 Y HN 1.260 nan 8.280 nan 0.000 0.467 162 G N 3.087 111.107 108.800 -1.299 0.000 2.720 162 G HA2 0.575 4.535 3.960 -0.000 0.000 0.295 162 G HA3 0.575 4.535 3.960 -0.000 0.000 0.295 162 G C -2.229 172.215 174.900 -0.760 0.000 1.437 162 G CA -0.938 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 -0.218 119.384 119.800 -0.329 0.000 2.587 163 Q HA 0.613 4.953 4.340 -0.000 0.000 0.293 163 Q C -1.399 174.596 176.000 -0.007 0.000 1.083 163 Q CA -0.892 54.832 55.803 -0.131 0.000 0.792 163 Q CB 2.794 31.500 28.738 -0.053 0.000 1.484 163 Q HN 0.670 nan 8.270 nan 0.000 0.446 164 D N -0.123 120.312 120.400 0.057 0.000 4.370 164 D HA -0.101 4.539 4.640 -0.000 0.000 0.238 164 D C -0.330 176.030 176.300 0.099 0.000 1.104 164 D CA 0.667 54.718 54.000 0.084 0.000 1.101 164 D CB -0.683 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 3.457 119.233 115.700 0.127 0.000 2.469 165 S HA -0.135 4.335 4.470 -0.000 0.000 0.238 165 S C 1.635 176.353 174.600 0.196 0.000 0.998 165 S CA 0.690 58.994 58.200 0.172 0.000 0.957 165 S CB 0.157 63.459 63.200 0.169 0.000 0.764 165 S HN 0.559 nan 8.310 nan 0.000 0.514 166 R N 0.028 120.614 120.500 0.143 0.000 2.334 166 R HA 0.406 4.746 4.340 -0.000 0.000 0.212 166 R C 0.043 176.398 176.300 0.093 0.000 0.897 166 R CA 0.095 56.279 56.100 0.139 0.000 1.056 166 R CB -0.067 30.336 30.300 0.171 0.000 1.046 166 R HN 0.368 nan 8.270 nan 0.000 0.513 167 L N 1.338 122.594 121.223 0.055 0.000 2.303 167 L HA 0.479 4.819 4.340 -0.000 0.000 0.266 167 L C -2.295 174.562 176.870 -0.022 0.000 1.011 167 L CA -2.412 52.433 54.840 0.009 0.000 0.818 167 L CB 1.839 43.896 42.059 -0.003 0.000 1.326 167 L HN -0.239 nan 8.230 nan 0.000 0.435 168 P HA 0.117 nan 4.420 nan 0.000 0.269 168 P C -1.119 176.167 177.300 -0.025 0.000 1.209 168 P CA -0.179 62.890 63.100 -0.052 0.000 0.776 168 P CB 0.875 32.507 31.700 -0.113 0.000 0.876 169 S N 1.418 117.162 115.700 0.072 0.000 2.502 169 S HA 0.384 4.854 4.470 -0.000 0.000 0.304 169 S C -0.637 173.987 174.600 0.039 0.000 1.097 169 S CA -0.626 57.606 58.200 0.053 0.000 1.045 169 S CB 1.047 64.400 63.200 0.255 0.000 1.019 169 S HN 0.347 nan 8.310 nan 0.000 0.481 170 E N 1.911 121.931 120.200 -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 -0.520 0.000 0.879 170 E CA -0.669 55.616 56.400 -0.192 0.000 0.762 170 E CB 1.691 31.374 29.700 -0.028 0.000 1.199 170 E HN 0.413 nan 8.360 nan 0.000 0.422 171 F N 0.063 120.065 119.950 0.086 0.000 2.588 171 F HA 0.264 4.791 4.527 -0.000 0.000 0.310 171 F C -0.208 175.616 175.800 0.039 0.000 1.082 171 F CA -1.303 56.722 58.000 0.041 0.000 0.929 171 F CB 1.197 40.189 39.000 -0.014 0.000 1.254 171 F HN 0.248 nan 8.300 nan 0.000 0.455 172 D N 2.179 122.733 120.400 0.258 0.000 2.336 172 D HA 0.238 4.878 4.640 -0.000 0.000 0.249 172 D C 0.521 176.952 176.300 0.218 0.000 1.213 172 D CA 0.348 54.464 54.000 0.194 0.000 0.870 172 D CB 0.965 41.865 40.800 0.167 0.000 1.076 172 D HN 0.593 nan 8.370 nan 0.000 0.483 173 L N 2.531 123.880 121.223 0.211 0.000 2.477 173 L HA -0.052 4.288 4.340 -0.000 0.000 0.220 173 L C 2.210 179.319 176.870 0.400 0.000 1.106 173 L CA -0.046 54.941 54.840 0.246 0.000 0.851 173 L CB -0.077 42.102 42.059 0.200 0.000 0.994 173 L HN 0.340 nan 8.230 nan 0.000 0.462 174 S N 1.125 116.997 115.700 0.287 0.000 2.461 174 S HA -0.365 4.105 4.470 -0.000 0.000 0.266 174 S C 1.790 176.515 174.600 0.208 0.000 1.138 174 S CA 2.127 60.462 58.200 0.225 0.000 1.146 174 S CB -0.316 62.973 63.200 0.148 0.000 1.042 174 S HN 0.588 nan 8.310 nan 0.000 0.448 175 A N -0.999 121.953 122.820 0.220 0.000 2.278 175 A HA 0.418 4.738 4.320 -0.000 0.000 0.212 175 A C 0.961 178.445 177.584 -0.166 0.000 1.213 175 A CA 0.148 52.162 52.037 -0.038 0.000 0.840 175 A CB -0.269 18.566 19.000 -0.275 0.000 0.866 175 A HN 0.484 nan 8.150 nan 0.000 0.489 176 F N -1.055 118.934 119.950 0.065 0.000 2.767 176 F HA 0.374 4.901 4.527 -0.000 0.000 0.323 176 F C 0.467 176.300 175.800 0.054 0.000 1.091 176 F CA -0.680 57.355 58.000 0.058 0.000 1.192 176 F CB -0.035 39.002 39.000 0.063 0.000 1.056 176 F HN -0.063 nan 8.300 nan 0.000 0.571 177 L N 1.822 123.212 121.223 0.278 0.000 2.417 177 L HA 0.422 4.762 4.340 -0.000 0.000 0.268 177 L C 0.260 177.182 176.870 0.088 0.000 1.158 177 L CA -0.205 54.735 54.840 0.167 0.000 0.819 177 L CB 0.787 42.964 42.059 0.196 0.000 1.112 177 L HN 0.021 nan 8.230 nan 0.000 0.458 178 R N 1.260 121.774 120.500 0.023 0.000 2.854 178 R HA 0.685 5.025 4.340 -0.000 0.000 0.271 178 R C -0.686 175.593 176.300 -0.036 0.000 0.996 178 R CA -0.943 55.152 56.100 -0.009 0.000 0.961 178 R CB 1.841 32.120 30.300 -0.035 0.000 1.182 178 R HN 0.700 nan 8.270 nan 0.000 0.479 179 A N 0.907 123.709 122.820 -0.030 0.000 2.407 179 A HA 0.547 4.867 4.320 -0.000 0.000 0.248 179 A C 0.944 178.478 177.584 -0.084 0.000 1.082 179 A CA 0.840 52.848 52.037 -0.047 0.000 0.785 179 A CB -0.119 18.863 19.000 -0.030 0.000 1.020 179 A HN 0.897 nan 8.150 nan 0.000 0.489 180 G N 0.807 109.543 108.800 -0.106 0.000 2.536 180 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.277 180 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.277 180 G C 0.137 174.916 174.900 -0.202 0.000 1.155 180 G CA 0.363 45.386 45.100 -0.129 0.000 0.960 180 G HN 1.005 nan 8.290 nan 0.000 0.544 181 E N 2.409 122.496 120.200 -0.189 0.000 2.265 181 E HA 0.267 4.617 4.350 -0.000 0.000 0.272 181 E C -0.063 176.336 176.600 -0.335 0.000 1.067 181 E CA -0.031 56.220 56.400 -0.249 0.000 0.900 181 E CB 0.010 29.611 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 -0.758 174.432 175.510 -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 -1.317 175.054 176.300 0.119 0.000 1.008 183 R CA -0.477 55.624 56.100 0.000 0.000 0.896 183 R CB 1.064 31.326 30.300 -0.064 0.000 1.187 183 R HN 0.509 nan 8.270 nan 0.000 0.440 184 L N 2.943 124.300 121.223 0.222 0.000 2.325 184 L HA 0.726 5.066 4.340 -0.000 0.000 0.279 184 L C -0.073 176.885 176.870 0.148 0.000 1.054 184 L CA -0.915 54.049 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 3.230 126.141 122.820 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 1.335 19.758 19.000 -0.961 0.000 1.170 185 A HN 0.390 nan 8.150 nan 0.000 0.458 186 V N 3.434 123.821 119.914 0.789 0.000 2.357 186 V HA 0.485 4.605 4.120 -0.000 0.000 0.284 186 V C 0.113 176.708 176.094 0.835 0.000 1.018 186 V CA -0.312 62.432 62.300 0.740 0.000 0.841 186 V CB 1.345 33.426 31.823 0.430 0.000 0.991 186 V HN 0.948 nan 8.190 nan 0.000 0.437 187 M N 6.121 126.213 119.600 0.821 0.000 2.088 187 M HA 0.600 5.080 4.480 -0.000 0.000 0.346 187 M C -1.436 175.119 176.300 0.425 0.000 1.111 187 M CA -0.331 55.287 55.300 0.529 0.000 1.017 187 M CB 1.287 34.240 32.600 0.588 0.000 1.568 187 M HN 0.476 nan 8.290 nan 0.000 0.445 188 V N 6.735 126.839 119.914 0.317 0.000 2.483 188 V HA 0.502 4.622 4.120 -0.000 0.000 0.295 188 V C -0.207 176.037 176.094 0.251 0.000 1.035 188 V CA -0.775 61.704 62.300 0.298 0.000 0.896 188 V CB 1.569 33.590 31.823 0.330 0.000 0.986 188 V HN 0.816 nan 8.190 nan 0.000 0.447 189 L N 3.088 124.403 121.223 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 54.076 54.840 0.031 0.000 0.815 189 L CB 1.570 43.545 42.059 -0.141 0.000 1.268 189 L HN 0.468 nan 8.230 nan 0.000 0.428 190 R N 1.604 121.966 120.500 -0.230 0.000 2.075 190 R HA -0.007 4.333 4.340 -0.000 0.000 0.230 190 R C -0.279 175.637 176.300 -0.640 0.000 1.140 190 R CA 1.753 57.421 56.100 -0.720 0.000 0.928 190 R CB 0.064 29.590 30.300 -1.290 0.000 0.834 190 R HN 0.627 nan 8.270 nan 0.000 0.429 191 W N 0.292 121.647 121.300 0.091 0.000 2.449 191 W HA 0.320 4.980 4.660 -0.000 0.000 0.331 191 W C 0.060 176.689 176.519 0.182 0.000 1.119 191 W CA -0.787 56.621 57.345 0.106 0.000 1.240 191 W CB 1.313 30.837 29.460 0.108 0.000 1.251 191 W HN 0.083 nan 8.180 nan 0.000 0.576 192 S N -1.011 114.973 115.700 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 1.231 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 0.562 121.210 120.400 0.414 0.000 2.218 193 D HA 0.063 4.703 4.640 -0.000 0.000 0.204 193 D C 1.839 178.433 176.300 0.490 0.000 0.976 193 D CA 1.194 55.471 54.000 0.462 0.000 0.853 193 D CB -0.797 40.162 40.800 0.265 0.000 0.939 193 D HN 0.712 nan 8.370 nan 0.000 0.481 194 G N 0.098 109.110 108.800 0.352 0.000 2.462 194 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.220 194 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.220 194 G C 1.742 176.817 174.900 0.293 0.000 1.121 194 G CA 0.873 46.152 45.100 0.300 0.000 0.758 194 G HN 0.316 nan 8.290 nan 0.000 0.559 195 S N -0.109 115.755 115.700 0.273 0.000 2.383 195 S HA -0.119 4.351 4.470 -0.000 0.000 0.229 195 S C 1.955 176.654 174.600 0.166 0.000 1.030 195 S CA 0.935 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 1.132 121.528 120.300 0.159 0.000 2.483 196 Y HA 0.026 4.576 4.550 -0.000 0.000 0.291 196 Y C 1.536 177.533 175.900 0.162 0.000 1.143 196 Y CA 0.620 58.739 58.100 0.032 0.000 1.289 196 Y CB -0.218 38.155 38.460 -0.146 0.000 0.983 196 Y HN 0.196 nan 8.280 nan 0.000 0.556 197 L N -0.008 121.405 121.223 0.318 0.000 2.700 197 L HA 0.121 4.461 4.340 -0.000 0.000 0.234 197 L C -0.004 177.009 176.870 0.237 0.000 1.156 197 L CA 0.370 55.355 54.840 0.241 0.000 0.946 197 L CB -0.006 42.190 42.059 0.228 0.000 1.216 197 L HN 0.204 nan 8.230 nan 0.000 0.493 198 E N -0.476 119.884 120.200 0.266 0.000 3.646 198 E HA 0.045 4.395 4.350 -0.000 0.000 0.211 198 E C -0.443 176.279 176.600 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 0.007 0.000 1.192 199 D CA -0.010 53.964 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 0.083 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 0.170 56.124 55.803 0.253 0.000 0.898 200 Q CB 0.556 29.579 28.738 0.474 0.000 1.246 200 Q HN 0.052 nan 8.270 nan 0.000 0.410 201 D N 3.393 123.943 120.400 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 0.221 54.355 54.000 0.223 0.000 1.058 201 D CB -0.415 40.546 40.800 0.268 0.000 1.098 201 D HN 0.482 nan 8.370 nan 0.000 0.509 202 M N 0.085 119.807 119.600 0.203 0.000 3.008 202 M HA 0.453 4.933 4.480 -0.000 0.000 0.271 202 M C -1.206 175.201 176.300 0.177 0.000 1.265 202 M CA -1.212 54.159 55.300 0.118 0.000 0.817 202 M CB 1.145 33.720 32.600 -0.043 0.000 1.638 202 M HN -0.103 nan 8.290 nan 0.000 0.479 203 W N 1.970 123.357 121.300 0.145 0.000 2.216 203 W HA 0.393 5.053 4.660 -0.000 0.000 0.326 203 W C 0.126 176.655 176.519 0.016 0.000 1.319 203 W CA -0.277 57.135 57.345 0.111 0.000 1.213 203 W CB 0.550 30.020 29.460 0.016 0.000 1.171 203 W HN 0.255 nan 8.180 nan 0.000 0.557 204 R N 5.001 125.685 120.500 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 56.009 56.100 0.167 0.000 0.887 204 R CB 0.243 30.686 30.300 0.238 0.000 1.114 204 R HN 0.578 nan 8.270 nan 0.000 0.473 205 M N 0.369 119.892 119.600 -0.128 0.000 2.655 205 M HA 0.506 4.986 4.480 -0.000 0.000 0.271 205 M C -0.135 175.853 176.300 -0.520 0.000 1.013 205 M CA -0.727 54.377 55.300 -0.326 0.000 0.994 205 M CB 1.994 34.388 32.600 -0.343 0.000 1.585 205 M HN 0.658 nan 8.290 nan 0.000 0.569 206 S N -1.352 113.921 115.700 -0.711 0.000 2.611 206 S HA 0.849 5.319 4.470 -0.000 0.000 0.270 206 S C -0.629 173.547 174.600 -0.707 0.000 1.131 206 S CA -0.328 57.368 58.200 -0.839 0.000 0.826 206 S CB 1.445 63.956 63.200 -1.147 0.000 1.095 206 S HN 1.427 nan 8.310 nan 0.000 0.461 207 G N 0.244 108.838 108.800 -0.343 0.000 2.318 207 G HA2 0.156 4.116 3.960 -0.000 0.000 0.367 207 G HA3 0.156 4.116 3.960 -0.000 0.000 0.367 207 G C -1.507 173.386 174.900 -0.012 0.000 1.260 207 G CA -0.542 44.582 45.100 0.041 0.000 1.055 207 G HN 1.235 nan 8.290 nan 0.000 0.484 208 I N 2.161 122.614 120.570 -0.196 0.000 2.316 208 I HA 0.307 4.477 4.170 -0.000 0.000 0.286 208 I C 1.011 177.008 176.117 -0.201 0.000 1.107 208 I CA -0.309 60.769 61.300 -0.370 0.000 1.219 208 I CB -0.032 37.545 38.000 -0.706 0.000 1.455 208 I HN 0.514 nan 8.210 nan 0.000 0.498 209 F N 3.976 123.796 119.950 -0.218 0.000 2.727 209 F HA 0.427 4.954 4.527 -0.000 0.000 0.302 209 F C 0.697 176.433 175.800 -0.107 0.000 1.097 209 F CA -0.527 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 0.682 120.782 120.500 -0.666 0.000 2.912 210 R HA 0.260 4.600 4.340 -0.000 0.000 0.262 210 R C -1.003 175.135 176.300 -0.271 0.000 1.057 210 R CA -1.158 54.702 56.100 -0.401 0.000 0.981 210 R CB 0.561 30.610 30.300 -0.418 0.000 1.201 210 R HN -0.033 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 -0.275 175.922 176.300 -0.173 0.000 1.177 211 D CA 0.434 54.356 54.000 -0.128 0.000 0.876 211 D CB 0.404 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 0.931 120.751 119.914 -0.157 0.000 2.540 212 V HA 0.652 4.772 4.120 -0.000 0.000 0.302 212 V C -0.142 175.858 176.094 -0.156 0.000 1.035 212 V CA -0.591 61.570 62.300 -0.231 0.000 0.873 212 V CB 1.607 33.306 31.823 -0.207 0.000 0.992 212 V HN 0.752 nan 8.190 nan 0.000 0.428 213 S N 4.490 120.059 115.700 -0.219 0.000 2.625 213 S HA 0.827 5.297 4.470 -0.000 0.000 0.271 213 S C -1.246 173.305 174.600 -0.081 0.000 1.161 213 S CA -0.953 57.183 58.200 -0.106 0.000 0.820 213 S CB 1.923 65.090 63.200 -0.055 0.000 1.137 213 S HN 0.469 nan 8.310 nan 0.000 0.470 214 L N 1.299 122.540 121.223 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 -0.789 54.133 54.840 0.138 0.000 0.819 214 L CB 1.868 44.097 42.059 0.284 0.000 1.294 214 L HN 0.672 nan 8.230 nan 0.000 0.414 215 L N 2.394 123.684 121.223 0.112 0.000 2.409 215 L HA 0.489 4.829 4.340 -0.000 0.000 0.272 215 L C -1.058 175.717 176.870 -0.159 0.000 0.980 215 L CA -0.287 54.551 54.840 -0.003 0.000 0.826 215 L CB 1.662 43.725 42.059 0.006 0.000 1.268 215 L HN 0.486 nan 8.230 nan 0.000 0.407 216 H N 4.033 122.774 119.070 -0.548 0.000 2.556 216 H HA 0.582 5.138 4.556 -0.000 0.000 0.310 216 H C -1.158 173.883 175.328 -0.478 0.000 1.057 216 H CA -0.143 55.416 56.048 -0.816 0.000 1.264 216 H CB 0.964 29.637 29.762 -1.816 0.000 1.404 216 H HN 0.617 nan 8.280 nan 0.000 0.462 217 K N 5.424 125.330 120.400 -0.823 0.000 2.435 217 K HA 0.418 4.738 4.320 -0.000 0.000 0.251 217 K C -2.742 173.505 176.600 -0.589 0.000 0.954 217 K CA -2.460 53.491 56.287 -0.560 0.000 0.820 217 K CB 1.810 34.091 32.500 -0.365 0.000 1.292 217 K HN 0.415 nan 8.250 nan 0.000 0.436 218 P HA -0.011 nan 4.420 nan 0.000 0.271 218 P C 0.148 177.317 177.300 -0.219 0.000 1.233 218 P CA -0.101 62.849 63.100 -0.250 0.000 0.789 218 P CB 0.444 32.051 31.700 -0.156 0.000 0.951 219 T N -2.976 111.487 114.554 -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 1.184 63.210 62.100 -0.123 0.000 1.139 219 T CB -0.697 68.124 68.868 -0.079 0.000 0.883 219 T HN 0.308 nan 8.240 nan 0.000 0.468 220 T N 3.404 117.883 114.554 -0.124 0.000 2.853 220 T HA 0.442 4.792 4.350 -0.000 0.000 0.317 220 T C -0.337 174.270 174.700 -0.154 0.000 1.059 220 T CA -0.785 61.231 62.100 -0.140 0.000 0.954 220 T CB 0.712 69.504 68.868 -0.127 0.000 0.994 220 T HN 0.557 nan 8.240 nan 0.000 0.479 221 Q N 2.780 122.473 119.800 -0.179 0.000 2.683 221 Q HA 0.583 4.923 4.340 -0.000 0.000 0.302 221 Q C -1.031 174.849 176.000 -0.200 0.000 1.042 221 Q CA -1.172 54.511 55.803 -0.199 0.000 0.773 221 Q CB 1.399 29.986 28.738 -0.253 0.000 1.508 221 Q HN 0.427 nan 8.270 nan 0.000 0.459 222 I N 2.757 123.184 120.570 -0.239 0.000 2.436 222 I HA -0.021 4.149 4.170 -0.000 0.000 0.289 222 I C 0.984 176.902 176.117 -0.332 0.000 1.083 222 I CA 0.111 61.279 61.300 -0.221 0.000 1.372 222 I CB 1.026 38.860 38.000 -0.277 0.000 1.408 222 I HN 0.832 nan 8.210 nan 0.000 0.516 223 S N 3.127 118.747 115.700 -0.134 0.000 2.503 223 S HA 0.128 4.598 4.470 -0.000 0.000 0.217 223 S C 0.265 174.998 174.600 0.223 0.000 0.999 223 S CA -0.104 58.061 58.200 -0.058 0.000 0.914 223 S CB 0.239 63.426 63.200 -0.023 0.000 0.782 223 S HN 0.735 nan 8.310 nan 0.000 0.520 224 D N -0.610 119.965 120.400 0.292 0.000 2.766 224 D HA 0.440 5.080 4.640 -0.000 0.000 0.244 224 D C -1.769 174.755 176.300 0.372 0.000 1.198 224 D CA -0.698 53.558 54.000 0.427 0.000 0.739 224 D CB 1.128 42.060 40.800 0.221 0.000 1.379 224 D HN 0.248 nan 8.370 nan 0.000 0.437 225 F N -0.434 119.560 119.950 0.074 0.000 2.678 225 F HA 0.705 5.232 4.527 -0.000 0.000 0.308 225 F C -1.539 174.288 175.800 0.044 0.000 1.118 225 F CA -0.785 57.163 58.000 -0.086 0.000 0.959 225 F CB 1.408 40.418 39.000 0.016 0.000 1.305 225 F HN 0.298 nan 8.300 nan 0.000 0.443 226 H N 1.004 120.077 119.070 0.004 0.000 2.768 226 H HA 0.788 5.344 4.556 -0.000 0.000 0.371 226 H C -1.366 173.950 175.328 -0.020 0.000 1.151 226 H CA -1.520 54.457 56.048 -0.119 0.000 1.165 226 H CB 2.687 32.400 29.762 -0.082 0.000 1.722 226 H HN 0.616 nan 8.280 nan 0.000 0.543 227 V N 1.168 121.128 119.914 0.078 0.000 2.815 227 V HA 0.827 4.947 4.120 -0.000 0.000 0.314 227 V C -0.493 175.580 176.094 -0.035 0.000 1.064 227 V CA -0.584 61.728 62.300 0.021 0.000 0.952 227 V CB 1.679 33.493 31.823 -0.015 0.000 1.020 227 V HN 0.973 nan 8.190 nan 0.000 0.439 228 A N 1.973 124.751 122.820 -0.069 0.000 2.547 228 A HA 0.831 5.151 4.320 -0.000 0.000 0.297 228 A C -0.482 177.012 177.584 -0.151 0.000 1.056 228 A CA -0.392 51.592 52.037 -0.089 0.000 0.688 228 A CB 2.035 21.007 19.000 -0.046 0.000 1.282 228 A HN 0.933 nan 8.150 nan 0.000 0.400 229 T N 0.036 114.492 114.554 -0.163 0.000 2.807 229 T HA 0.795 5.145 4.350 -0.000 0.000 0.279 229 T C -0.378 174.155 174.700 -0.278 0.000 0.993 229 T CA -0.695 61.240 62.100 -0.275 0.000 0.970 229 T CB 1.266 69.930 68.868 -0.340 0.000 0.950 229 T HN 0.703 nan 8.240 nan 0.000 0.441 230 R N 1.642 121.876 120.500 -0.444 0.000 2.740 230 R HA 0.768 5.108 4.340 -0.000 0.000 0.282 230 R C -1.250 174.675 176.300 -0.625 0.000 0.969 230 R CA -0.747 55.163 56.100 -0.317 0.000 0.918 230 R CB 1.607 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 0.062 120.004 119.950 -0.014 0.000 2.640 231 F HA 0.360 4.887 4.527 -0.000 0.000 0.324 231 F C 0.363 176.042 175.800 -0.200 0.000 1.077 231 F CA -1.271 56.669 58.000 -0.101 0.000 0.965 231 F CB 0.849 39.709 39.000 -0.233 0.000 1.351 231 F HN 0.506 nan 8.300 nan 0.000 0.487 232 N N -0.208 118.490 118.700 -0.003 0.000 2.327 232 N HA 0.085 4.825 4.740 -0.000 0.000 0.257 232 N C 0.488 175.850 175.510 -0.246 0.000 1.281 232 N CA -0.214 52.784 53.050 -0.086 0.000 0.942 232 N CB 0.078 38.536 38.487 -0.048 0.000 1.199 232 N HN 0.647 nan 8.380 nan 0.000 0.532 233 D N -1.557 118.742 120.400 -0.170 0.000 2.265 233 D HA -0.226 4.414 4.640 -0.000 0.000 0.208 233 D C 0.112 176.279 176.300 -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 -1.496 118.808 120.400 -0.161 0.000 2.513 234 D HA -0.002 4.638 4.640 -0.000 0.000 0.222 234 D C 0.244 176.664 176.300 0.200 0.000 1.210 234 D CA -0.857 53.172 54.000 0.049 0.000 0.825 234 D CB -1.069 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 0.715 120.723 119.950 0.097 0.000 3.006 235 F HA -0.301 4.226 4.527 -0.000 0.000 0.289 235 F C 1.786 177.668 175.800 0.136 0.000 0.772 235 F CA 0.800 58.880 58.000 0.133 0.000 1.162 235 F CB -2.477 36.503 39.000 -0.033 0.000 1.382 235 F HN 0.210 nan 8.300 nan 0.000 0.406 236 S N -0.414 115.396 115.700 0.183 0.000 2.522 236 S HA 0.121 4.591 4.470 -0.000 0.000 0.227 236 S C 0.701 175.356 174.600 0.092 0.000 0.986 236 S CA 0.754 59.029 58.200 0.125 0.000 0.929 236 S CB 0.357 63.604 63.200 0.077 0.000 0.769 236 S HN 0.587 nan 8.310 nan 0.000 0.529 237 R N -0.401 120.165 120.500 0.110 0.000 2.594 237 R HA 0.645 4.985 4.340 -0.000 0.000 0.265 237 R C -1.709 174.614 176.300 0.039 0.000 1.070 237 R CA -0.042 56.086 56.100 0.046 0.000 0.909 237 R CB 1.370 31.675 30.300 0.007 0.000 1.243 237 R HN 0.232 nan 8.270 nan 0.000 0.455 238 A N 2.490 125.271 122.820 -0.065 0.000 2.479 238 A HA 0.786 5.106 4.320 -0.000 0.000 0.296 238 A C -1.451 176.039 177.584 -0.157 0.000 1.121 238 A CA -0.677 51.236 52.037 -0.207 0.000 0.743 238 A CB 2.227 21.074 19.000 -0.256 0.000 1.323 238 A HN 0.362 nan 8.150 nan 0.000 0.415 239 V N 1.389 121.183 119.914 -0.200 0.000 2.483 239 V HA 0.427 4.547 4.120 -0.000 0.000 0.297 239 V C -1.033 175.004 176.094 -0.096 0.000 1.027 239 V CA -0.469 61.761 62.300 -0.117 0.000 0.855 239 V CB 1.357 33.114 31.823 -0.111 0.000 0.995 239 V HN 0.808 nan 8.190 nan 0.000 0.424 240 L N 5.226 126.428 121.223 -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 4.824 124.982 120.200 -0.071 0.000 2.218 241 E HA 0.752 5.102 4.350 -0.000 0.000 0.263 241 E C -1.792 174.796 176.600 -0.021 0.000 0.879 241 E CA -0.832 55.541 56.400 -0.046 0.000 0.762 241 E CB 1.567 31.239 29.700 -0.047 0.000 1.166 241 E HN 0.844 nan 8.360 nan 0.000 0.415 242 A N 4.385 127.199 122.820 -0.010 0.000 2.331 242 A HA 0.444 4.764 4.320 -0.000 0.000 0.320 242 A C -0.847 176.735 177.584 -0.003 0.000 1.138 242 A CA -0.708 51.344 52.037 0.026 0.000 0.790 242 A CB 1.458 20.484 19.000 0.044 0.000 1.206 242 A HN 0.735 nan 8.150 nan 0.000 0.470 243 E N 2.330 122.530 120.200 0.000 0.000 2.176 243 E HA 0.575 4.925 4.350 -0.000 0.000 0.267 243 E C -1.649 174.889 176.600 -0.102 0.000 0.893 243 E CA -0.409 55.944 56.400 -0.078 0.000 0.761 243 E CB 1.599 31.234 29.700 -0.108 0.000 1.133 243 E HN 0.410 nan 8.360 nan 0.000 0.409 244 V N 4.272 124.136 119.914 -0.082 0.000 2.604 244 V HA 0.362 4.482 4.120 -0.000 0.000 0.305 244 V C -0.498 175.624 176.094 0.046 0.000 1.043 244 V CA -0.808 61.480 62.300 -0.019 0.000 0.888 244 V CB 1.770 33.555 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 -0.847 175.231 176.000 0.131 0.000 1.077 245 Q CA -0.856 55.028 55.803 0.135 0.000 0.820 245 Q CB 2.845 31.594 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 34.362 32.600 -0.461 0.000 1.717 246 M HN 0.560 nan 8.290 nan 0.000 0.470 247 C N 1.430 120.624 119.300 -0.177 0.000 2.614 247 C HA 1.023 5.483 4.460 -0.000 0.000 0.320 247 C C 0.588 175.474 174.990 -0.174 0.000 1.200 247 C CA 0.894 59.822 59.018 -0.149 0.000 1.700 247 C CB 1.029 28.701 27.740 -0.114 0.000 2.275 247 C HN 1.354 nan 8.230 nan 0.000 0.492 248 G N 3.393 112.106 108.800 -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 -1.505 173.308 174.900 -0.144 0.000 1.248 248 G CA -0.292 44.725 45.100 -0.138 0.000 1.033 248 G HN 0.853 nan 8.290 nan 0.000 0.502 249 E N -0.337 119.785 120.200 -0.130 0.000 2.166 249 E HA 0.712 5.062 4.350 -0.000 0.000 0.275 249 E C 0.020 176.515 176.600 -0.176 0.000 0.941 249 E CA -0.957 55.365 56.400 -0.130 0.000 0.784 249 E CB 2.002 31.654 29.700 -0.079 0.000 1.115 249 E HN 0.631 nan 8.360 nan 0.000 0.399 250 L N 3.492 124.599 121.223 -0.194 0.000 2.455 250 L HA 0.256 4.596 4.340 -0.000 0.000 0.272 250 L C -0.069 176.678 176.870 -0.206 0.000 1.174 250 L CA 0.151 54.846 54.840 -0.241 0.000 0.869 250 L CB 0.227 42.164 42.059 -0.203 0.000 1.130 250 L HN 0.477 nan 8.230 nan 0.000 0.474 251 R N 2.686 123.002 120.500 -0.306 0.000 2.548 251 R HA 0.115 4.455 4.340 -0.000 0.000 0.280 251 R C 0.063 176.137 176.300 -0.376 0.000 1.061 251 R CA -0.617 55.279 56.100 -0.339 0.000 0.915 251 R CB 1.588 31.478 30.300 -0.682 0.000 1.210 251 R HN 0.713 nan 8.270 nan 0.000 0.442 252 D N 1.781 122.104 120.400 -0.129 0.000 2.393 252 D HA -0.205 4.435 4.640 -0.000 0.000 0.220 252 D C 0.883 177.189 176.300 0.010 0.000 0.974 252 D CA 1.460 55.445 54.000 -0.026 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 -0.697 119.608 120.300 0.007 0.000 2.457 253 Y HA 0.394 4.944 4.550 -0.000 0.000 0.263 253 Y C 0.956 176.856 175.900 -0.001 0.000 1.164 253 Y CA -0.939 57.166 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 42.560 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 -1.543 174.433 176.300 -0.539 0.000 1.010 255 R CA -0.833 55.025 56.100 -0.403 0.000 0.916 255 R CB 2.389 32.416 30.300 -0.454 0.000 1.228 255 R HN 0.283 nan 8.270 nan 0.000 0.469 256 V N 0.789 120.480 119.914 -0.371 0.000 2.686 256 V HA 0.490 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 -0.536 61.615 62.100 0.084 0.000 0.977 257 T CB 1.923 70.876 68.868 0.142 0.000 0.996 257 T HN 0.374 nan 8.240 nan 0.000 0.448 258 V N 3.063 122.968 119.914 -0.015 0.000 2.525 258 V HA 0.694 4.814 4.120 -0.000 0.000 0.299 258 V C -0.439 175.639 176.094 -0.027 0.000 1.034 258 V CA -0.870 61.416 62.300 -0.023 0.000 0.863 258 V CB 1.867 33.666 31.823 -0.040 0.000 0.999 258 V HN 1.077 nan 8.190 nan 0.000 0.423 259 S N 5.038 120.739 115.700 0.001 0.000 2.526 259 S HA 0.863 5.333 4.470 -0.000 0.000 0.293 259 S C -1.138 173.435 174.600 -0.044 0.000 1.092 259 S CA -0.771 57.387 58.200 -0.071 0.000 0.980 259 S CB 2.387 65.580 63.200 -0.011 0.000 1.048 259 S HN 0.473 nan 8.310 nan 0.000 0.483 260 L N 2.102 123.190 121.223 -0.225 0.000 2.322 260 L HA 0.731 5.071 4.340 -0.000 0.000 0.281 260 L C -1.840 174.864 176.870 -0.278 0.000 1.014 260 L CA -0.459 54.328 54.840 -0.089 0.000 0.815 260 L CB 0.796 42.829 42.059 -0.044 0.000 1.247 260 L HN 0.891 nan 8.230 nan 0.000 0.421 261 W N 3.273 124.668 121.300 0.158 0.000 2.736 261 W HA 0.574 5.234 4.660 -0.000 0.000 0.335 261 W C -0.488 176.159 176.519 0.214 0.000 1.059 261 W CA -0.580 56.853 57.345 0.147 0.000 1.226 261 W CB 1.619 31.121 29.460 0.070 0.000 1.416 261 W HN 0.434 nan 8.180 nan 0.000 0.505 262 Q N 2.667 122.716 119.800 0.416 0.000 2.644 262 Q HA 0.494 4.834 4.340 -0.000 0.000 0.245 262 Q C 0.682 176.773 176.000 0.151 0.000 1.064 262 Q CA 0.598 56.499 55.803 0.164 0.000 0.860 262 Q CB 0.345 29.133 28.738 0.084 0.000 1.145 262 Q HN 0.733 nan 8.270 nan 0.000 0.515 263 G N 2.326 111.207 108.800 0.135 0.000 2.595 263 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.297 263 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.297 263 G C 0.666 175.638 174.900 0.119 0.000 1.181 263 G CA 0.322 45.468 45.100 0.077 0.000 0.963 263 G HN 0.516 nan 8.290 nan 0.000 0.541 264 E N 1.559 121.833 120.200 0.122 0.000 2.385 264 E HA 0.195 4.545 4.350 -0.000 0.000 0.194 264 E C 1.262 178.083 176.600 0.367 0.000 1.013 264 E CA 0.925 57.409 56.400 0.140 0.000 0.866 264 E CB -0.124 29.624 29.700 0.080 0.000 0.832 264 E HN 0.473 nan 8.360 nan 0.000 0.500 265 T N 1.361 116.129 114.554 0.357 0.000 2.806 265 T HA 0.176 4.526 4.350 -0.000 0.000 0.290 265 T C 0.089 174.926 174.700 0.228 0.000 0.966 265 T CA -0.348 61.932 62.100 0.301 0.000 1.060 265 T CB 1.587 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 2.863 122.513 119.800 -0.249 0.000 2.296 266 Q HA 0.286 4.626 4.340 -0.000 0.000 0.257 266 Q C 0.317 176.042 176.000 -0.459 0.000 0.942 266 Q CA -0.396 54.781 55.803 -1.043 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 63.164 62.300 -0.164 0.000 1.076 267 V CB 0.098 31.916 31.823 -0.008 0.000 0.725 267 V HN 0.761 nan 8.190 nan 0.000 0.467 268 A N -1.203 121.464 122.820 -0.256 0.000 2.599 268 A HA 0.750 5.070 4.320 -0.000 0.000 0.294 268 A C -0.820 176.635 177.584 -0.216 0.000 1.055 268 A CA -0.048 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 -1.076 114.529 115.700 -0.157 0.000 2.579 269 S HA 0.895 5.365 4.470 -0.000 0.000 0.272 269 S C -0.492 174.059 174.600 -0.082 0.000 1.141 269 S CA 0.146 58.271 58.200 -0.125 0.000 0.843 269 S CB 1.964 65.085 63.200 -0.130 0.000 1.122 269 S HN 2.313 nan 8.310 nan 0.000 0.468 270 G N 1.216 109.980 108.800 -0.061 0.000 2.759 270 G HA2 0.596 4.556 3.960 -0.000 0.000 0.297 270 G HA3 0.596 4.556 3.960 -0.000 0.000 0.297 270 G C -1.518 173.362 174.900 -0.033 0.000 1.434 270 G CA -0.381 44.690 45.100 -0.049 0.000 0.980 270 G HN 0.685 nan 8.290 nan 0.000 0.531 271 T N -0.203 114.336 114.554 -0.025 0.000 2.900 271 T HA 0.910 5.260 4.350 -0.000 0.000 0.295 271 T C -0.170 174.505 174.700 -0.041 0.000 1.044 271 T CA 0.090 62.186 62.100 -0.007 0.000 0.995 271 T CB 1.870 70.768 68.868 0.050 0.000 1.072 271 T HN 1.780 nan 8.240 nan 0.000 0.473 272 A N 2.914 125.684 122.820 -0.083 0.000 2.566 272 A HA 0.915 5.235 4.320 -0.000 0.000 0.290 272 A C -3.246 174.228 177.584 -0.184 0.000 1.071 272 A CA -1.417 50.551 52.037 -0.116 0.000 0.658 272 A CB 1.150 20.071 19.000 -0.132 0.000 1.285 272 A HN 0.537 nan 8.150 nan 0.000 0.427 273 P HA 0.656 nan 4.420 nan 0.000 0.292 273 P C -0.772 176.441 177.300 -0.145 0.000 1.300 273 P CA -0.482 62.552 63.100 -0.110 0.000 0.900 273 P CB 0.590 32.276 31.700 -0.024 0.000 1.139 274 F N 0.826 120.726 119.950 -0.083 0.000 2.535 274 F HA 0.414 4.941 4.527 -0.000 0.000 0.332 274 F C 1.621 177.400 175.800 -0.036 0.000 1.208 274 F CA 1.923 59.886 58.000 -0.062 0.000 1.330 274 F CB -0.189 38.767 39.000 -0.074 0.000 1.167 274 F HN 0.629 nan 8.300 nan 0.000 0.597 275 G N 0.955 109.880 108.800 0.209 0.000 3.438 275 G HA2 0.374 4.334 3.960 -0.000 0.000 0.684 275 G HA3 0.374 4.334 3.960 -0.000 0.000 0.684 275 G C -0.482 174.462 174.900 0.073 0.000 1.192 275 G CA -0.792 44.384 45.100 0.126 0.000 1.013 275 G HN 1.060 nan 8.290 nan 0.000 0.530 276 G N 0.633 109.493 108.800 0.100 0.000 2.537 276 G HA2 0.754 4.714 3.960 -0.000 0.000 0.297 276 G HA3 0.754 4.714 3.960 -0.000 0.000 0.297 276 G C 0.063 174.996 174.900 0.055 0.000 1.310 276 G CA -0.322 44.829 45.100 0.084 0.000 1.027 276 G HN 0.896 nan 8.290 nan 0.000 0.505 277 E N -0.817 119.412 120.200 0.049 0.000 2.349 277 E HA 0.390 4.740 4.350 -0.000 0.000 0.262 277 E C -0.318 176.299 176.600 0.029 0.000 1.088 277 E CA -0.660 55.757 56.400 0.029 0.000 0.899 277 E CB 0.794 30.507 29.700 0.022 0.000 1.044 277 E HN 0.232 nan 8.360 nan 0.000 0.420 278 I N 1.691 122.267 120.570 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 0.146 38.141 38.000 -0.007 0.000 1.367 278 I HN 0.651 nan 8.210 nan 0.000 0.577 279 I N 1.173 121.739 120.570 -0.005 0.000 4.124 279 I HA 0.416 4.586 4.170 -0.000 0.000 0.311 279 I C 0.004 176.118 176.117 -0.005 0.000 1.259 279 I CA 0.469 61.776 61.300 0.011 0.000 1.315 279 I CB 0.134 38.164 38.000 0.051 0.000 1.223 279 I HN 0.618 nan 8.210 nan 0.000 0.441 280 D N -0.546 119.837 120.400 -0.027 0.000 2.946 280 D HA 0.208 4.848 4.640 -0.000 0.000 0.337 280 D C 0.483 176.765 176.300 -0.029 0.000 1.332 280 D CA -0.431 53.554 54.000 -0.024 0.000 0.935 280 D CB 0.250 41.036 40.800 -0.023 0.000 1.440 280 D HN -0.086 nan 8.370 nan 0.000 0.540 281 E N -0.825 119.360 120.200 -0.025 0.000 2.209 281 E HA -0.076 4.274 4.350 -0.000 0.000 0.196 281 E C 1.590 178.170 176.600 -0.032 0.000 0.993 281 E CA 1.173 57.559 56.400 -0.024 0.000 0.819 281 E CB -0.033 29.657 29.700 -0.018 0.000 0.745 281 E HN 0.250 nan 8.360 nan 0.000 0.477 282 R N -0.467 120.006 120.500 -0.046 0.000 2.276 282 R HA 0.224 4.564 4.340 -0.000 0.000 0.196 282 R C 0.879 177.137 176.300 -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 44.416 45.100 -0.073 0.000 1.170 283 G HN 0.401 nan 8.290 nan 0.000 0.511 284 G N -1.812 106.922 108.800 -0.110 0.000 3.209 284 G HA2 0.635 4.595 3.960 -0.000 0.000 0.236 284 G HA3 0.635 4.595 3.960 -0.000 0.000 0.236 284 G C -1.522 173.230 174.900 -0.247 0.000 1.329 284 G CA -0.767 44.259 45.100 -0.124 0.000 1.015 284 G HN 0.721 nan 8.290 nan 0.000 0.571 285 Y N 0.766 121.079 120.300 0.022 0.000 2.404 285 Y HA 0.449 4.999 4.550 -0.000 0.000 0.344 285 Y C 1.373 177.300 175.900 0.046 0.000 0.970 285 Y CA 0.018 58.136 58.100 0.031 0.000 1.180 285 Y CB 1.876 40.361 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 1.278 178.950 177.584 0.146 0.000 1.169 286 A CA 1.495 53.593 52.037 0.102 0.000 0.638 286 A CB -0.237 18.781 19.000 0.029 0.000 0.812 286 A HN 0.788 nan 8.150 nan 0.000 0.446 287 D N -0.526 119.960 120.400 0.144 0.000 2.491 287 D HA 0.166 4.806 4.640 -0.000 0.000 0.228 287 D C 0.332 176.809 176.300 0.295 0.000 1.183 287 D CA -0.130 53.894 54.000 0.041 0.000 0.827 287 D CB -0.110 40.659 40.800 -0.052 0.000 0.989 287 D HN 0.424 nan 8.370 nan 0.000 0.494 288 R N -0.951 119.820 120.500 0.452 0.000 2.799 288 R HA 0.765 5.105 4.340 -0.000 0.000 0.270 288 R C -1.558 174.847 176.300 0.174 0.000 1.010 288 R CA -1.227 55.069 56.100 0.328 0.000 0.916 288 R CB 2.819 33.169 30.300 0.083 0.000 1.228 288 R HN -0.014 nan 8.270 nan 0.000 0.469 289 V N 0.160 120.034 119.914 -0.068 0.000 3.000 289 V HA 0.500 4.620 4.120 -0.000 0.000 0.300 289 V C -1.610 174.393 176.094 -0.152 0.000 1.251 289 V CA -0.249 61.937 62.300 -0.189 0.000 0.972 289 V CB 2.715 34.258 31.823 -0.466 0.000 1.065 289 V HN 0.833 nan 8.190 nan 0.000 0.431 290 T N 7.315 121.806 114.554 -0.105 0.000 2.812 290 T HA 0.750 5.100 4.350 -0.000 0.000 0.282 290 T C -0.971 173.682 174.700 -0.078 0.000 0.990 290 T CA -0.268 61.785 62.100 -0.078 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 0.404 177.244 176.870 -0.051 0.000 1.013 291 L CA -0.684 54.116 54.840 -0.067 0.000 0.816 291 L CB 1.232 43.247 42.059 -0.074 0.000 1.287 291 L HN 0.415 nan 8.230 nan 0.000 0.435 292 R N 2.837 123.307 120.500 -0.050 0.000 2.451 292 R HA 0.660 5.000 4.340 -0.000 0.000 0.307 292 R C -1.498 174.772 176.300 -0.050 0.000 0.965 292 R CA -0.617 55.455 56.100 -0.048 0.000 0.865 292 R CB 1.461 31.734 30.300 -0.046 0.000 1.174 292 R HN 0.477 nan 8.270 nan 0.000 0.455 293 L N 2.618 123.812 121.223 -0.049 0.000 2.307 293 L HA 0.460 4.800 4.340 -0.000 0.000 0.284 293 L C 0.055 176.894 176.870 -0.053 0.000 1.023 293 L CA -0.944 53.865 54.840 -0.051 0.000 0.810 293 L CB 1.493 43.521 42.059 -0.051 0.000 1.231 293 L HN 0.466 nan 8.230 nan 0.000 0.423 294 N N 1.927 120.590 118.700 -0.061 0.000 2.498 294 N HA 0.470 5.210 4.740 -0.000 0.000 0.287 294 N C -1.003 174.454 175.510 -0.087 0.000 1.097 294 N CA -0.313 52.696 53.050 -0.068 0.000 0.973 294 N CB 2.847 41.298 38.487 -0.061 0.000 1.153 294 N HN 0.219 nan 8.380 nan 0.000 0.472 295 V N 2.021 121.868 119.914 -0.112 0.000 2.569 295 V HA 0.192 4.312 4.120 -0.000 0.000 0.301 295 V C -0.134 175.875 176.094 -0.142 0.000 1.044 295 V CA -0.843 61.357 62.300 -0.167 0.000 0.874 295 V CB 2.061 33.691 31.823 -0.323 0.000 1.002 295 V HN 0.535 nan 8.190 nan 0.000 0.424 296 E N 3.703 123.844 120.200 -0.099 0.000 2.301 296 E HA 0.281 4.631 4.350 -0.000 0.000 0.275 296 E C -0.090 176.480 176.600 -0.050 0.000 1.030 296 E CA -0.392 55.974 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 1.345 120.038 118.700 -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 0.164 63.154 63.100 -0.184 0.000 0.788 298 P CB 0.854 32.192 31.700 -0.604 0.000 0.949 299 K N 1.343 121.841 120.400 0.162 0.000 2.234 299 K HA 0.393 4.713 4.320 -0.000 0.000 0.277 299 K C -0.156 176.611 176.600 0.278 0.000 1.038 299 K CA -0.540 55.854 56.287 0.178 0.000 0.888 299 K CB 0.492 33.064 32.500 0.120 0.000 1.091 299 K HN 0.382 nan 8.250 nan 0.000 0.467 300 L N 2.379 123.689 121.223 0.146 0.000 2.395 300 L HA 0.338 4.678 4.340 -0.000 0.000 0.269 300 L C -0.113 176.842 176.870 0.142 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 2.891 124.228 121.300 0.062 0.000 2.376 301 W HA 0.497 5.157 4.660 -0.000 0.000 0.322 301 W C -0.299 176.173 176.519 -0.079 0.000 1.160 301 W CA 0.129 57.488 57.345 0.024 0.000 1.218 301 W CB 1.268 30.789 29.460 0.102 0.000 1.205 301 W HN 0.609 nan 8.180 nan 0.000 0.559 302 S N 2.790 117.848 115.700 -1.070 0.000 2.588 302 S HA 0.611 5.081 4.470 -0.000 0.000 0.269 302 S C 0.028 173.813 174.600 -1.358 0.000 1.157 302 S CA -0.439 57.240 58.200 -0.868 0.000 0.824 302 S CB 1.260 64.201 63.200 -0.433 0.000 1.126 302 S HN 0.814 nan 8.310 nan 0.000 0.464 303 A N 0.342 122.572 122.820 -0.985 0.000 2.066 303 A HA 0.043 4.363 4.320 -0.000 0.000 0.218 303 A C 1.686 178.926 177.584 -0.574 0.000 1.157 303 A CA 1.269 52.694 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 -0.809 119.197 120.200 -0.324 0.000 2.106 304 E HA 0.031 4.381 4.350 -0.000 0.000 0.192 304 E C -0.280 176.168 176.600 -0.254 0.000 0.984 304 E CA 0.777 57.060 56.400 -0.195 0.000 0.806 304 E CB 0.021 29.746 29.700 0.042 0.000 0.750 304 E HN 0.604 nan 8.360 nan 0.000 0.458 305 I N 0.946 121.309 120.570 -0.346 0.000 2.588 305 I HA 0.140 4.310 4.170 -0.000 0.000 0.278 305 I C -2.624 173.222 176.117 -0.451 0.000 1.144 305 I CA -1.851 59.270 61.300 -0.298 0.000 1.074 305 I CB 2.153 40.038 38.000 -0.192 0.000 1.235 305 I HN -0.234 nan 8.210 nan 0.000 0.472 306 P HA 0.064 nan 4.420 nan 0.000 0.231 306 P C -0.497 176.794 177.300 -0.015 0.000 1.756 306 P CA -0.098 62.679 63.100 -0.539 0.000 0.990 306 P CB -0.371 31.233 31.700 -0.161 0.000 1.973 307 N N 1.788 120.498 118.700 0.018 0.000 2.468 307 N HA 0.128 4.868 4.740 -0.000 0.000 0.265 307 N C 0.077 175.805 175.510 0.362 0.000 1.199 307 N CA 0.372 53.507 53.050 0.141 0.000 0.928 307 N CB 0.619 39.172 38.487 0.110 0.000 1.059 307 N HN 0.266 nan 8.380 nan 0.000 0.467 308 L N 2.370 123.716 121.223 0.205 0.000 2.319 308 L HA 0.525 4.865 4.340 -0.000 0.000 0.267 308 L C -0.804 176.142 176.870 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 -0.027 120.402 120.300 0.215 0.000 2.576 309 Y HA 0.566 5.116 4.550 -0.000 0.000 0.346 309 Y C -0.337 175.670 175.900 0.180 0.000 1.018 309 Y CA -0.809 57.425 58.100 0.224 0.000 1.050 309 Y CB 2.095 40.742 38.460 0.310 0.000 1.280 309 Y HN 0.385 nan 8.280 nan 0.000 0.474 310 R N 1.245 121.981 120.500 0.394 0.000 2.445 310 R HA 0.869 5.209 4.340 -0.000 0.000 0.308 310 R C -1.498 174.994 176.300 0.321 0.000 0.961 310 R CA -0.666 55.601 56.100 0.278 0.000 0.862 310 R CB 1.110 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 0.589 4.909 4.320 -0.000 0.000 0.320 311 A C -1.113 176.546 177.584 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 20.600 19.000 0.151 0.000 1.206 311 A HN 0.456 nan 8.150 nan 0.000 0.470 312 V N 2.169 122.161 119.914 0.129 0.000 2.448 312 V HA 0.526 4.646 4.120 -0.000 0.000 0.295 312 V C -0.375 175.705 176.094 -0.024 0.000 1.025 312 V CA -0.692 61.629 62.300 0.034 0.000 0.859 312 V CB 1.398 33.248 31.823 0.044 0.000 0.988 312 V HN 0.582 nan 8.190 nan 0.000 0.431 313 V N 5.007 124.849 119.914 -0.121 0.000 2.334 313 V HA 0.439 4.559 4.120 -0.000 0.000 0.281 313 V C -0.036 176.000 176.094 -0.096 0.000 1.016 313 V CA -0.480 61.719 62.300 -0.169 0.000 0.832 313 V CB 1.150 32.724 31.823 -0.414 0.000 0.999 313 V HN 1.046 nan 8.190 nan 0.000 0.439 314 E N 5.059 125.252 120.200 -0.013 0.000 2.176 314 E HA 0.576 4.926 4.350 -0.000 0.000 0.267 314 E C -1.112 175.577 176.600 0.148 0.000 0.893 314 E CA -1.069 55.373 56.400 0.070 0.000 0.761 314 E CB 2.790 32.546 29.700 0.093 0.000 1.133 314 E HN 0.411 nan 8.360 nan 0.000 0.409 315 L N 5.315 126.594 121.223 0.093 0.000 2.255 315 L HA 0.285 4.625 4.340 -0.000 0.000 0.289 315 L C -0.687 176.247 176.870 0.106 0.000 1.046 315 L CA 0.067 54.936 54.840 0.047 0.000 0.816 315 L CB -0.095 41.969 42.059 0.009 0.000 1.197 315 L HN 0.699 nan 8.230 nan 0.000 0.427 316 H N 1.206 120.295 119.070 0.032 0.000 2.942 316 H HA 0.617 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 55.733 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 -2.825 111.865 114.554 0.227 0.000 2.927 317 T HA 0.526 4.876 4.350 -0.000 0.000 0.281 317 T C 1.439 176.316 174.700 0.295 0.000 0.998 317 T CA -0.196 62.048 62.100 0.240 0.000 1.019 317 T CB 1.390 70.448 68.868 0.317 0.000 1.061 317 T HN 0.776 nan 8.240 nan 0.000 0.518 318 A N 1.004 123.968 122.820 0.240 0.000 2.024 318 A HA -0.085 4.235 4.320 -0.000 0.000 0.220 318 A C 1.816 179.500 177.584 0.166 0.000 1.164 318 A CA 1.976 54.129 52.037 0.194 0.000 0.643 318 A CB -1.282 17.814 19.000 0.160 0.000 0.806 318 A HN 1.035 nan 8.150 nan 0.000 0.451 319 D N -2.966 117.519 120.400 0.142 0.000 2.269 319 D HA 0.268 4.908 4.640 -0.000 0.000 0.208 319 D C 1.255 177.603 176.300 0.081 0.000 0.963 319 D CA 1.359 55.410 54.000 0.084 0.000 0.864 319 D CB -0.146 40.682 40.800 0.047 0.000 0.936 319 D HN 0.669 nan 8.370 nan 0.000 0.505 320 G N -1.271 107.604 108.800 0.125 0.000 2.367 320 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.181 320 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.181 320 G C 0.328 175.261 174.900 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 2.139 116.754 114.554 0.101 0.000 2.817 321 T HA 0.405 4.755 4.350 -0.000 0.000 0.295 321 T C 0.506 175.289 174.700 0.138 0.000 0.958 321 T CA 0.153 62.310 62.100 0.094 0.000 1.157 321 T CB 1.068 69.989 68.868 0.088 0.000 0.898 321 T HN 0.482 nan 8.240 nan 0.000 0.536 322 L N 4.860 126.141 121.223 0.097 0.000 2.331 322 L HA 0.256 4.596 4.340 -0.000 0.000 0.278 322 L C 0.618 177.547 176.870 0.099 0.000 1.106 322 L CA -0.463 54.448 54.840 0.118 0.000 0.824 322 L CB 0.464 42.562 42.059 0.066 0.000 1.142 322 L HN 0.578 nan 8.230 nan 0.000 0.443 323 I N 3.318 123.947 120.570 0.099 0.000 2.494 323 I HA 0.104 4.274 4.170 -0.000 0.000 0.250 323 I C 0.602 176.734 176.117 0.025 0.000 1.112 323 I CA 0.801 62.131 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 55.382 56.400 0.027 0.000 0.880 324 E CB 0.979 30.661 29.700 -0.031 0.000 1.381 324 E HN -0.073 nan 8.360 nan 0.000 0.436 325 A N 0.925 123.795 122.820 0.084 0.000 2.539 325 A HA 0.738 5.058 4.320 -0.000 0.000 0.296 325 A C -1.256 176.453 177.584 0.208 0.000 1.073 325 A CA -0.687 51.407 52.037 0.094 0.000 0.700 325 A CB 1.911 20.954 19.000 0.072 0.000 1.296 325 A HN 0.515 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 1.162 nan 8.360 nan 0.000 0.451 327 A N 0.180 123.136 122.820 0.227 0.000 2.588 327 A HA 0.859 5.179 4.320 -0.000 0.000 0.290 327 A C -1.115 176.648 177.584 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 -0.815 118.620 119.300 0.226 0.000 3.292 328 C HA 0.728 5.188 4.460 -0.000 0.000 0.338 328 C C -1.544 173.533 174.990 0.144 0.000 1.323 328 C CA -0.987 58.158 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 0.828 121.290 120.400 0.105 0.000 2.264 329 D HA 0.573 5.213 4.640 -0.000 0.000 0.249 329 D C -0.508 175.828 176.300 0.061 0.000 1.070 329 D CA 0.154 54.216 54.000 0.104 0.000 0.912 329 D CB 2.081 42.942 40.800 0.101 0.000 1.193 329 D HN 0.529 nan 8.370 nan 0.000 0.427 330 V N 0.696 120.674 119.914 0.107 0.000 2.656 330 V HA 0.645 4.765 4.120 -0.000 0.000 0.307 330 V C 0.369 176.503 176.094 0.065 0.000 1.051 330 V CA -0.732 61.577 62.300 0.015 0.000 0.893 330 V CB 2.195 34.016 31.823 -0.004 0.000 0.999 330 V HN 0.645 nan 8.190 nan 0.000 0.426 331 G N 2.766 111.492 108.800 -0.124 0.000 2.544 331 G HA2 0.642 4.602 3.960 -0.000 0.000 0.313 331 G HA3 0.642 4.602 3.960 -0.000 0.000 0.313 331 G C -1.239 173.647 174.900 -0.022 0.000 1.316 331 G CA -0.399 44.701 45.100 0.001 0.000 0.944 331 G HN 0.410 nan 8.290 nan 0.000 0.489 332 F N 2.258 122.390 119.950 0.303 0.000 2.404 332 F HA 0.560 5.087 4.527 -0.000 0.000 0.359 332 F C 0.919 176.959 175.800 0.400 0.000 1.134 332 F CA -0.299 57.934 58.000 0.388 0.000 1.160 332 F CB 1.104 40.352 39.000 0.412 0.000 1.186 332 F HN 0.552 nan 8.300 nan 0.000 0.526 333 R N 1.213 122.014 120.500 0.502 0.000 2.634 333 R HA 0.461 4.801 4.340 -0.000 0.000 0.263 333 R C -1.761 174.685 176.300 0.244 0.000 1.060 333 R CA -1.072 55.172 56.100 0.242 0.000 0.898 333 R CB 1.422 31.884 30.300 0.270 0.000 1.253 333 R HN 0.458 nan 8.270 nan 0.000 0.461 334 E N 2.101 122.345 120.200 0.074 0.000 2.199 334 E HA 0.474 4.824 4.350 -0.000 0.000 0.265 334 E C -1.289 175.367 176.600 0.093 0.000 0.882 334 E CA -1.019 55.478 56.400 0.162 0.000 0.759 334 E CB 2.020 31.851 29.700 0.218 0.000 1.148 334 E HN 0.430 nan 8.360 nan 0.000 0.412 335 V N 5.491 125.459 119.914 0.090 0.000 2.417 335 V HA 0.584 4.704 4.120 -0.000 0.000 0.291 335 V C -0.182 175.944 176.094 0.054 0.000 1.024 335 V CA -0.557 61.770 62.300 0.045 0.000 0.861 335 V CB 1.260 33.090 31.823 0.013 0.000 0.985 335 V HN 0.752 nan 8.190 nan 0.000 0.436 336 R N 4.462 124.989 120.500 0.046 0.000 2.692 336 R HA 0.689 5.029 4.340 -0.000 0.000 0.269 336 R C -2.103 174.217 176.300 0.034 0.000 1.030 336 R CA -0.864 55.266 56.100 0.050 0.000 0.882 336 R CB 1.742 32.085 30.300 0.072 0.000 1.250 336 R HN 0.531 nan 8.270 nan 0.000 0.465 337 I N 1.832 122.423 120.570 0.035 0.000 2.330 337 I HA 0.328 4.498 4.170 -0.000 0.000 0.289 337 I C -0.558 175.577 176.117 0.031 0.000 1.001 337 I CA -0.357 60.959 61.300 0.027 0.000 1.193 337 I CB 1.699 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 6.264 126.478 120.200 0.024 0.000 2.263 338 E HA 0.222 4.572 4.350 -0.000 0.000 0.268 338 E C -0.387 176.224 176.600 0.018 0.000 0.884 338 E CA -0.626 55.790 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 0.427 175.941 175.510 0.007 0.000 1.031 339 N CA 1.961 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 -1.986 106.818 108.800 0.007 0.000 2.179 340 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.260 340 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.260 340 G C -0.029 174.865 174.900 -0.010 0.000 0.977 340 G CA 0.622 45.722 45.100 0.001 0.000 0.641 340 G HN 0.520 nan 8.290 nan 0.000 0.533 341 L N -0.164 121.054 121.223 -0.008 0.000 2.354 341 L HA 0.747 5.087 4.340 -0.000 0.000 0.269 341 L C -0.103 176.756 176.870 -0.018 0.000 1.005 341 L CA -1.361 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 3.740 124.941 121.223 -0.038 0.000 2.260 342 L HA 0.515 4.855 4.340 -0.000 0.000 0.289 342 L C -0.862 175.982 176.870 -0.043 0.000 1.057 342 L CA 0.295 55.112 54.840 -0.039 0.000 0.811 342 L CB 0.483 42.505 42.059 -0.061 0.000 1.184 342 L HN 0.378 nan 8.230 nan 0.000 0.429 343 L N 5.673 126.885 121.223 -0.017 0.000 2.333 343 L HA 0.612 4.952 4.340 -0.000 0.000 0.269 343 L C -0.869 176.001 176.870 0.001 0.000 1.010 343 L CA -0.842 53.995 54.840 -0.004 0.000 0.818 343 L CB 1.993 44.070 42.059 0.031 0.000 1.306 343 L HN 0.558 nan 8.230 nan 0.000 0.430 344 L N 2.695 123.929 121.223 0.019 0.000 2.376 344 L HA 0.496 4.836 4.340 -0.000 0.000 0.275 344 L C -0.474 176.428 176.870 0.052 0.000 0.987 344 L CA -0.233 54.628 54.840 0.036 0.000 0.828 344 L CB 1.098 43.176 42.059 0.031 0.000 1.249 344 L HN 0.648 nan 8.230 nan 0.000 0.409 345 N N 4.115 122.742 118.700 -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 -0.546 0.000 0.727 345 N CB -1.161 36.890 38.487 -0.726 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 -0.057 174.881 174.900 0.063 0.000 0.988 346 G CA 0.841 46.007 45.100 0.109 0.000 0.625 346 G HN 0.501 nan 8.290 nan 0.000 0.527 347 K N 0.996 121.426 120.400 0.050 0.000 2.208 347 K HA 0.547 4.867 4.320 -0.000 0.000 0.247 347 K C -3.019 173.562 176.600 -0.032 0.000 0.953 347 K CA -2.111 54.164 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 0.217 nan 4.420 nan 0.000 0.282 348 P C -0.251 176.988 177.300 -0.101 0.000 1.274 348 P CA -0.176 62.881 63.100 -0.072 0.000 0.770 348 P CB 0.553 32.211 31.700 -0.069 0.000 0.867 349 L N 3.412 124.570 121.223 -0.109 0.000 2.456 349 L HA 0.421 4.761 4.340 -0.000 0.000 0.257 349 L C 0.431 177.218 176.870 -0.139 0.000 1.162 349 L CA -0.804 53.959 54.840 -0.128 0.000 0.808 349 L CB 0.568 42.518 42.059 -0.181 0.000 1.136 349 L HN 0.235 nan 8.230 nan 0.000 0.466 350 L N 2.779 123.932 121.223 -0.117 0.000 2.471 350 L HA 0.414 4.754 4.340 -0.000 0.000 0.263 350 L C -0.706 176.104 176.870 -0.099 0.000 0.985 350 L CA -0.199 54.557 54.840 -0.141 0.000 0.868 350 L CB 0.999 43.002 42.059 -0.094 0.000 1.203 350 L HN 0.217 nan 8.230 nan 0.000 0.429 351 I N 4.516 124.964 120.570 -0.203 0.000 2.436 351 I HA 0.214 4.384 4.170 -0.000 0.000 0.289 351 I C 0.565 176.609 176.117 -0.123 0.000 1.083 351 I CA 0.128 61.314 61.300 -0.189 0.000 1.372 351 I CB 0.524 38.288 38.000 -0.393 0.000 1.408 351 I HN 0.553 nan 8.210 nan 0.000 0.516 352 R N 4.745 125.250 120.500 0.009 0.000 3.070 352 R HA 0.448 4.788 4.340 -0.000 0.000 0.252 352 R C 0.544 176.918 176.300 0.122 0.000 1.370 352 R CA -0.262 55.868 56.100 0.050 0.000 1.482 352 R CB 0.752 30.948 30.300 -0.172 0.000 1.220 352 R HN 0.774 nan 8.270 nan 0.000 0.622 353 G N 0.076 108.898 108.800 0.036 0.000 2.509 353 G HA2 0.591 4.551 3.960 -0.000 0.000 0.328 353 G HA3 0.591 4.551 3.960 -0.000 0.000 0.328 353 G C -1.264 173.926 174.900 0.482 0.000 1.194 353 G CA -0.481 44.647 45.100 0.047 0.000 0.967 353 G HN 0.229 nan 8.290 nan 0.000 0.488 354 V N 0.228 120.465 119.914 0.538 0.000 3.012 354 V HA 0.462 4.582 4.120 -0.000 0.000 0.307 354 V C -1.166 175.072 176.094 0.240 0.000 1.166 354 V CA -1.197 61.293 62.300 0.316 0.000 0.974 354 V CB 2.243 33.971 31.823 -0.158 0.000 1.040 354 V HN 0.783 nan 8.190 nan 0.000 0.428 355 N N 4.274 123.023 118.700 0.082 0.000 2.518 355 N HA 0.518 5.258 4.740 -0.000 0.000 0.283 355 N C -0.799 174.500 175.510 -0.352 0.000 1.119 355 N CA -0.422 52.532 53.050 -0.159 0.000 0.983 355 N CB 1.755 40.134 38.487 -0.180 0.000 1.139 355 N HN 0.669 nan 8.380 nan 0.000 0.465 356 R N 1.689 121.945 120.500 -0.408 0.000 2.533 356 R HA 0.251 4.591 4.340 -0.000 0.000 0.288 356 R C -1.190 174.861 176.300 -0.415 0.000 1.039 356 R CA -0.557 55.317 56.100 -0.377 0.000 0.909 356 R CB 1.091 31.176 30.300 -0.357 0.000 1.195 356 R HN 0.579 nan 8.270 nan 0.000 0.438 357 H N 2.003 120.918 119.070 -0.257 0.000 2.495 357 H HA 0.171 4.727 4.556 -0.000 0.000 0.350 357 H C -0.549 174.761 175.328 -0.030 0.000 1.202 357 H CA -0.212 55.772 56.048 -0.106 0.000 1.322 357 H CB 1.667 31.422 29.762 -0.012 0.000 1.544 357 H HN 0.565 nan 8.280 nan 0.000 0.565 358 E N 1.656 122.037 120.200 0.302 0.000 1.963 358 E HA 0.106 4.456 4.350 -0.000 0.000 0.274 358 E C -0.766 175.958 176.600 0.207 0.000 1.061 358 E CA 0.007 56.498 56.400 0.151 0.000 0.847 358 E CB 0.148 29.944 29.700 0.160 0.000 1.083 358 E HN 0.398 nan 8.360 nan 0.000 0.402 359 H N 1.603 120.710 119.070 0.062 0.000 2.947 359 H HA 0.229 4.785 4.556 -0.000 0.000 0.354 359 H C -1.647 173.707 175.328 0.043 0.000 1.085 359 H CA -0.695 55.384 56.048 0.051 0.000 1.253 359 H CB 1.025 30.808 29.762 0.035 0.000 1.757 359 H HN 0.362 nan 8.280 nan 0.000 0.523 360 H N 6.533 125.281 119.070 -0.537 0.000 2.744 360 H HA 0.196 4.752 4.556 -0.000 0.000 0.339 360 H C -2.213 172.701 175.328 -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 1.392 178.579 177.300 -0.187 0.000 1.150 361 P CA 1.021 63.933 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 -2.015 119.228 121.223 0.034 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 0.844 55.631 54.840 -0.087 0.000 0.800 362 L CB -0.765 41.128 42.059 -0.277 0.000 0.987 362 L HN 0.013 nan 8.230 nan 0.000 0.470 363 H N -0.484 118.510 119.070 -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 0.241 29.713 29.762 -0.482 0.000 1.365 363 H HN 0.471 nan 8.280 nan 0.000 0.589 364 G N 1.552 110.255 108.800 -0.162 0.000 2.543 364 G HA2 -0.403 3.557 3.960 -0.000 0.000 0.286 364 G HA3 -0.403 3.557 3.960 -0.000 0.000 0.286 364 G C 0.581 175.371 174.900 -0.183 0.000 1.153 364 G CA 0.350 45.290 45.100 -0.267 0.000 0.968 364 G HN 0.478 nan 8.290 nan 0.000 0.544 365 Q N 0.079 119.784 119.800 -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 0.767 29.333 28.738 -0.287 0.000 1.054 365 Q HN 0.372 nan 8.270 nan 0.000 0.482 366 V N 1.866 121.807 119.914 0.046 0.000 2.432 366 V HA 0.212 4.332 4.120 -0.000 0.000 0.275 366 V C 0.127 176.260 176.094 0.065 0.000 1.043 366 V CA -0.255 62.097 62.300 0.087 0.000 0.925 366 V CB 0.998 32.825 31.823 0.006 0.000 0.985 366 V HN 0.323 nan 8.190 nan 0.000 0.466 367 M N 4.441 124.079 119.600 0.064 0.000 2.471 367 M HA 0.563 5.043 4.480 -0.000 0.000 0.309 367 M C -0.446 175.811 176.300 -0.072 0.000 1.186 367 M CA -0.601 54.696 55.300 -0.005 0.000 1.008 367 M CB 1.454 34.008 32.600 -0.077 0.000 1.551 367 M HN 0.973 nan 8.290 nan 0.000 0.477 368 D N -2.283 118.080 120.400 -0.062 0.000 2.655 368 D HA 0.213 4.853 4.640 -0.000 0.000 0.229 368 D C 0.195 176.490 176.300 -0.008 0.000 1.229 368 D CA -0.691 53.279 54.000 -0.049 0.000 0.807 368 D CB 1.294 42.100 40.800 0.010 0.000 1.514 368 D HN 0.665 nan 8.370 nan 0.000 0.444 369 E N 0.119 120.323 120.200 0.008 0.000 2.086 369 E HA -0.410 3.940 4.350 -0.000 0.000 0.205 369 E C 1.627 178.282 176.600 0.091 0.000 1.027 369 E CA 1.846 58.284 56.400 0.064 0.000 0.830 369 E CB 0.063 29.814 29.700 0.085 0.000 0.751 369 E HN 0.571 nan 8.360 nan 0.000 0.456 370 Q N -0.331 119.521 119.800 0.087 0.000 2.062 370 Q HA -0.200 4.140 4.340 -0.000 0.000 0.209 370 Q C 2.216 178.280 176.000 0.106 0.000 0.996 370 Q CA 2.508 58.369 55.803 0.097 0.000 0.859 370 Q CB -0.334 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 1.163 115.788 114.554 0.118 0.000 2.674 371 T HA -0.153 4.197 4.350 -0.000 0.000 0.265 371 T C 2.010 176.788 174.700 0.131 0.000 1.039 371 T CA 1.636 63.814 62.100 0.130 0.000 1.150 371 T CB -0.247 68.714 68.868 0.155 0.000 0.864 371 T HN 0.299 nan 8.240 nan 0.000 0.427 372 M N 0.712 120.393 119.600 0.134 0.000 2.113 372 M HA -0.182 4.298 4.480 -0.000 0.000 0.255 372 M C 2.450 178.879 176.300 0.215 0.000 1.073 372 M CA 1.683 57.126 55.300 0.238 0.000 1.091 372 M CB -0.924 31.844 32.600 0.281 0.000 1.309 372 M HN 0.125 nan 8.290 nan 0.000 0.407 373 V N -0.137 119.850 119.914 0.122 0.000 2.332 373 V HA -0.305 3.815 4.120 -0.000 0.000 0.248 373 V C 2.289 178.378 176.094 -0.008 0.000 1.055 373 V CA 2.051 64.356 62.300 0.009 0.000 1.038 373 V CB -0.965 30.885 31.823 0.045 0.000 0.651 373 V HN 0.552 nan 8.190 nan 0.000 0.450 374 Q N -0.190 119.651 119.800 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 2.282 58.139 55.803 0.090 0.000 0.851 374 Q CB -0.179 28.627 28.738 0.112 0.000 0.911 374 Q HN 0.625 nan 8.270 nan 0.000 0.418 375 D N 0.247 120.750 120.400 0.172 0.000 2.116 375 D HA -0.190 4.450 4.640 -0.000 0.000 0.193 375 D C 1.884 178.178 176.300 -0.010 0.000 0.998 375 D CA 1.222 55.346 54.000 0.206 0.000 0.836 375 D CB -0.314 40.580 40.800 0.157 0.000 0.951 375 D HN 0.336 nan 8.370 nan 0.000 0.449 376 I N 0.642 121.181 120.570 -0.052 0.000 2.163 376 I HA -0.264 3.906 4.170 -0.000 0.000 0.243 376 I C 2.468 178.476 176.117 -0.182 0.000 1.085 376 I CA 0.713 61.886 61.300 -0.211 0.000 1.347 376 I CB -0.209 37.571 38.000 -0.367 0.000 1.044 376 I HN 0.062 nan 8.210 nan 0.000 0.408 377 L N 0.210 121.360 121.223 -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 0.288 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 0.059 0.000 2.073 379 M HA -0.280 4.200 4.480 -0.000 0.000 0.258 379 M C 2.348 178.726 176.300 0.131 0.000 1.070 379 M CA 1.877 57.130 55.300 -0.078 0.000 1.103 379 M CB -0.504 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 0.200 120.575 120.400 -0.042 0.000 2.063 380 K HA -0.212 4.108 4.320 -0.000 0.000 0.208 380 K C 1.902 178.474 176.600 -0.048 0.000 1.048 380 K CA 1.596 57.749 56.287 -0.222 0.000 0.928 380 K CB -0.328 31.853 32.500 -0.532 0.000 0.713 380 K HN 0.557 nan 8.250 nan 0.000 0.442 381 Q N 0.113 120.049 119.800 0.226 0.000 2.291 381 Q HA -0.035 4.305 4.340 -0.000 0.000 0.205 381 Q C 0.990 177.267 176.000 0.463 0.000 0.970 381 Q CA 0.625 56.682 55.803 0.423 0.000 0.876 381 Q CB 0.070 29.039 28.738 0.384 0.000 0.935 381 Q HN 0.286 nan 8.270 nan 0.000 0.455 382 N N 0.680 119.622 118.700 0.404 0.000 2.251 382 N HA 0.039 4.779 4.740 -0.000 0.000 0.217 382 N C -0.535 175.109 175.510 0.224 0.000 1.124 382 N CA 0.072 53.362 53.050 0.399 0.000 0.843 382 N CB 0.648 39.444 38.487 0.514 0.000 1.024 382 N HN 0.176 nan 8.380 nan 0.000 0.501 383 N N -0.133 118.688 118.700 0.203 0.000 2.882 383 N HA -0.168 4.572 4.740 -0.000 0.000 0.249 383 N C -0.767 174.655 175.510 -0.147 0.000 1.079 383 N CA 0.629 53.717 53.050 0.064 0.000 0.800 383 N CB -1.798 36.626 38.487 -0.104 0.000 1.124 383 N HN 0.213 nan 8.380 nan 0.000 0.557 384 F N 1.342 121.303 119.950 0.018 0.000 2.371 384 F HA 0.337 4.864 4.527 -0.000 0.000 0.329 384 F C 1.833 177.619 175.800 -0.024 0.000 1.107 384 F CA -0.307 57.686 58.000 -0.011 0.000 1.137 384 F CB 0.774 39.742 39.000 -0.054 0.000 1.214 384 F HN 0.067 nan 8.300 nan 0.000 0.536 385 N N 0.424 119.242 118.700 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 53.163 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 -0.350 122.597 122.820 0.211 0.000 2.606 386 A HA 0.769 5.088 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 1.788 21.015 19.000 0.379 0.000 1.284 386 A HN 0.364 nan 8.150 nan 0.000 0.408 387 V N 0.963 121.118 119.914 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 0.144 0.000 1.130 387 V CA -0.741 61.744 62.300 0.308 0.000 0.964 387 V CB 1.947 33.842 31.823 0.119 0.000 1.029 387 V HN 1.173 nan 8.190 nan 0.000 0.427 388 R N 4.707 125.123 120.500 -0.140 0.000 2.387 388 R HA 0.497 4.837 4.340 -0.000 0.000 0.314 388 R C -0.764 175.370 176.300 -0.277 0.000 0.958 388 R CA -0.477 55.387 56.100 -0.394 0.000 0.846 388 R CB 1.160 30.945 30.300 -0.857 0.000 1.147 388 R HN 0.855 nan 8.270 nan 0.000 0.447 389 C N 4.341 123.517 119.300 -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 -2.180 25.505 27.740 -0.091 0.000 1.392 389 C HN 0.700 nan 8.230 nan 0.000 0.612 390 S N 1.471 116.758 115.700 -0.688 0.000 2.465 390 S HA 0.167 4.637 4.470 -0.000 0.000 0.280 390 S C -0.123 173.614 174.600 -1.438 0.000 1.232 390 S CA 0.155 57.671 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 0.738 nan 8.310 nan 0.000 0.494 391 H N 3.491 121.936 119.070 -1.042 0.000 2.597 391 H HA 0.302 4.858 4.556 -0.000 0.000 0.225 391 H C -1.179 173.997 175.328 -0.253 0.000 1.422 391 H CA -0.365 55.443 56.048 -0.401 0.000 1.335 391 H CB -0.055 29.682 29.762 -0.042 0.000 1.783 391 H HN 0.895 nan 8.280 nan 0.000 0.513 392 Y N -2.671 117.740 120.300 0.184 0.000 2.841 392 Y HA 0.377 4.927 4.550 -0.000 0.000 0.373 392 Y C -3.328 172.681 175.900 0.181 0.000 1.170 392 Y CA -2.900 55.314 58.100 0.189 0.000 1.196 392 Y CB -0.064 38.513 38.460 0.194 0.000 1.433 392 Y HN -0.081 nan 8.280 nan 0.000 0.479 393 P HA 0.187 nan 4.420 nan 0.000 0.271 393 P C -0.688 176.922 177.300 0.517 0.000 1.216 393 P CA 0.132 63.502 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 0.296 119.313 118.700 0.528 0.000 2.478 394 N HA 0.104 4.844 4.740 -0.000 0.000 0.275 394 N C 0.045 175.816 175.510 0.434 0.000 1.221 394 N CA -0.609 52.658 53.050 0.363 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 0.008 4.564 4.556 -0.000 0.000 0.324 395 H C -1.748 173.790 175.328 0.351 0.000 1.015 395 H CA -0.823 55.344 56.048 0.198 0.000 1.429 395 H CB 0.987 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 0.843 64.185 63.100 0.405 0.000 0.849 396 P CB 0.167 31.897 31.700 0.051 0.000 0.787 397 L N -1.219 120.428 121.223 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 1.477 56.622 54.840 0.509 0.000 0.759 397 L CB -1.418 40.929 42.059 0.480 0.000 0.903 397 L HN 0.060 nan 8.230 nan 0.000 0.435 398 W N -0.261 121.139 121.300 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 2.207 59.499 57.345 -0.089 0.000 1.264 398 W CB -0.490 28.784 29.460 -0.309 0.000 1.154 398 W HN 0.284 nan 8.180 nan 0.000 0.483 399 Y N 0.634 120.891 120.300 -0.071 0.000 2.207 399 Y HA -0.244 4.306 4.550 -0.000 0.000 0.287 399 Y C 2.848 178.531 175.900 -0.361 0.000 1.156 399 Y CA 2.140 59.963 58.100 -0.462 0.000 1.182 399 Y CB -1.427 36.463 38.460 -0.949 0.000 0.979 399 Y HN -0.172 nan 8.280 nan 0.000 0.521 400 T N 0.580 115.173 114.554 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 1.271 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 0.508 121.745 121.223 0.025 0.000 2.012 401 L HA -0.160 4.180 4.340 -0.000 0.000 0.210 401 L C 2.906 179.780 176.870 0.006 0.000 1.073 401 L CA 1.136 56.014 54.840 0.063 0.000 0.748 401 L CB -0.802 41.258 42.059 0.001 0.000 0.891 401 L HN 0.387 nan 8.230 nan 0.000 0.431 402 C N -0.360 118.769 119.300 -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 0.491 120.911 120.400 0.033 0.000 2.117 403 D HA -0.099 4.541 4.640 -0.000 0.000 0.197 403 D C 2.409 178.874 176.300 0.275 0.000 0.987 403 D CA 1.160 55.243 54.000 0.138 0.000 0.829 403 D CB -0.339 40.512 40.800 0.085 0.000 0.961 403 D HN 0.575 nan 8.370 nan 0.000 0.460 404 R N -0.747 119.821 120.500 0.114 0.000 2.075 404 R HA -0.023 4.317 4.340 -0.000 0.000 0.226 404 R C 2.270 178.499 176.300 -0.118 0.000 1.114 404 R CA 0.594 56.690 56.100 -0.008 0.000 0.972 404 R CB -0.369 29.845 30.300 -0.144 0.000 0.869 404 R HN 0.305 nan 8.270 nan 0.000 0.437 405 Y N 0.412 120.727 120.300 0.025 0.000 2.337 405 Y HA 0.092 4.642 4.550 -0.000 0.000 0.293 405 Y C 1.078 176.909 175.900 -0.116 0.000 1.123 405 Y CA 0.922 59.005 58.100 -0.028 0.000 1.201 405 Y CB 0.469 38.882 38.460 -0.079 0.000 1.011 405 Y HN 0.310 nan 8.280 nan 0.000 0.545 406 G N 1.107 109.935 108.800 0.047 0.000 2.858 406 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.272 406 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.272 406 G C -1.173 173.559 174.900 -0.281 0.000 1.003 406 G CA -0.592 44.396 45.100 -0.185 0.000 1.241 406 G HN 0.147 nan 8.290 nan 0.000 0.569 407 L N 1.037 122.165 121.223 -0.158 0.000 2.464 407 L HA 0.464 4.804 4.340 -0.000 0.000 0.266 407 L C 0.009 176.835 176.870 -0.073 0.000 0.965 407 L CA -1.265 53.433 54.840 -0.237 0.000 0.833 407 L CB 1.994 43.940 42.059 -0.188 0.000 1.296 407 L HN 0.457 nan 8.230 nan 0.000 0.405 408 Y N 2.084 122.479 120.300 0.159 0.000 2.411 408 Y HA 0.372 4.922 4.550 -0.000 0.000 0.333 408 Y C 0.275 176.265 175.900 0.150 0.000 1.186 408 Y CA -0.585 57.636 58.100 0.202 0.000 1.381 408 Y CB 1.136 39.705 38.460 0.182 0.000 1.273 408 Y HN 0.155 nan 8.280 nan 0.000 0.546 409 V N 3.626 123.701 119.914 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 0.158 0.000 0.913 409 V CB 2.023 33.895 31.823 0.082 0.000 1.005 409 V HN 0.454 nan 8.190 nan 0.000 0.428 410 V N 2.597 122.547 119.914 0.061 0.000 2.328 410 V HA 0.358 4.478 4.120 -0.000 0.000 0.278 410 V C -0.387 175.733 176.094 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 4.021 124.479 120.400 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 0.329 0.000 1.167 411 D HN 0.710 nan 8.370 nan 0.000 0.447 412 E N 1.712 122.057 120.200 0.242 0.000 2.234 412 E HA 0.615 4.965 4.350 -0.000 0.000 0.266 412 E C -1.130 175.608 176.600 0.231 0.000 0.877 412 E CA -1.074 55.457 56.400 0.218 0.000 0.758 412 E CB 1.417 31.197 29.700 0.132 0.000 1.170 412 E HN 0.451 nan 8.360 nan 0.000 0.415 413 A N 3.650 126.602 122.820 0.220 0.000 2.445 413 A HA 0.078 4.398 4.320 -0.000 0.000 0.242 413 A C 0.338 178.048 177.584 0.211 0.000 1.075 413 A CA -0.273 51.876 52.037 0.188 0.000 0.777 413 A CB 0.172 19.250 19.000 0.130 0.000 1.013 413 A HN 0.685 nan 8.150 nan 0.000 0.493 414 N N 1.472 120.306 118.700 0.223 0.000 2.892 414 N HA 0.193 4.933 4.740 -0.000 0.000 0.300 414 N C -0.921 174.718 175.510 0.214 0.000 1.211 414 N CA 0.279 53.491 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 0.676 121.365 120.570 0.199 0.000 2.534 415 I HA 0.270 4.440 4.170 -0.000 0.000 0.286 415 I C -0.621 175.590 176.117 0.156 0.000 1.094 415 I CA -0.688 60.710 61.300 0.163 0.000 1.055 415 I CB 1.971 40.042 38.000 0.119 0.000 1.225 415 I HN 0.216 nan 8.210 nan 0.000 0.435 416 E N 4.190 124.479 120.200 0.149 0.000 2.278 416 E HA 0.413 4.763 4.350 -0.000 0.000 0.272 416 E C -0.527 176.145 176.600 0.120 0.000 0.890 416 E CA -0.438 56.024 56.400 0.104 0.000 0.770 416 E CB 1.862 31.599 29.700 0.062 0.000 1.212 416 E HN 0.671 nan 8.360 nan 0.000 0.415 417 T N 0.536 115.154 114.554 0.105 0.000 3.380 417 T HA 0.138 4.488 4.350 -0.000 0.000 0.289 417 T C 0.973 175.736 174.700 0.106 0.000 1.012 417 T CA -0.285 61.903 62.100 0.147 0.000 0.944 417 T CB -0.328 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 2.265 177.469 175.328 -0.205 0.000 1.113 418 H CA 1.440 57.386 56.048 -0.171 0.000 1.253 418 H CB -0.234 29.399 29.762 -0.215 0.000 1.363 418 H HN 0.576 nan 8.280 nan 0.000 0.494 419 G N 0.229 108.867 108.800 -0.270 0.000 2.650 419 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.214 419 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.214 419 G C 0.644 175.625 174.900 0.135 0.000 1.136 419 G CA -0.141 44.820 45.100 -0.232 0.000 0.789 419 G HN 0.148 nan 8.290 nan 0.000 0.536 420 M N 0.149 119.881 119.600 0.219 0.000 2.131 420 M HA 0.315 4.795 4.480 -0.000 0.000 0.283 420 M C -0.313 176.022 176.300 0.058 0.000 1.225 420 M CA 0.142 55.535 55.300 0.154 0.000 1.153 420 M CB 1.082 33.728 32.600 0.077 0.000 1.380 420 M HN -0.161 nan 8.290 nan 0.000 0.458 421 V N 2.151 122.078 119.914 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 33.756 31.823 -0.004 0.000 1.024 421 V HN 0.748 nan 8.190 nan 0.000 0.435 422 P HA 0.214 nan 4.420 nan 0.000 0.273 422 P C 1.134 178.435 177.300 0.001 0.000 1.250 422 P CA -0.456 62.640 63.100 -0.007 0.000 0.793 422 P CB 0.857 32.554 31.700 -0.004 0.000 1.011 423 M N 0.882 120.490 119.600 0.012 0.000 2.255 423 M HA -0.232 4.248 4.480 -0.000 0.000 0.259 423 M C 1.088 177.405 176.300 0.029 0.000 1.071 423 M CA 2.161 57.478 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 1.052 176.528 175.510 -0.057 0.000 1.124 424 N CA 0.072 53.130 53.050 0.013 0.000 0.843 424 N CB -0.592 37.925 38.487 0.050 0.000 1.024 424 N HN 0.349 nan 8.380 nan 0.000 0.501 425 R N 0.616 121.072 120.500 -0.073 0.000 2.134 425 R HA -0.090 4.250 4.340 -0.000 0.000 0.248 425 R C 1.547 177.727 176.300 -0.201 0.000 1.143 425 R CA 1.889 57.920 56.100 -0.115 0.000 0.957 425 R CB -0.159 30.071 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 2.477 179.164 176.870 -0.304 0.000 1.078 426 L CA 1.283 55.809 54.840 -0.523 0.000 0.780 426 L CB -0.771 40.697 42.059 -0.985 0.000 0.939 426 L HN 0.366 nan 8.230 nan 0.000 0.451 427 T N -3.660 110.754 114.554 -0.235 0.000 2.897 427 T HA -0.209 4.141 4.350 -0.000 0.000 0.271 427 T C 1.242 175.819 174.700 -0.204 0.000 1.084 427 T CA 1.441 63.383 62.100 -0.263 0.000 1.123 427 T CB -0.352 68.327 68.868 -0.315 0.000 0.865 427 T HN 0.133 nan 8.240 nan 0.000 0.496 428 D N 1.306 121.627 120.400 -0.131 0.000 2.342 428 D HA 0.138 4.778 4.640 -0.000 0.000 0.221 428 D C -0.492 175.777 176.300 -0.051 0.000 1.101 428 D CA -0.225 53.719 54.000 -0.094 0.000 0.837 428 D CB -0.031 40.726 40.800 -0.073 0.000 0.938 428 D HN 0.342 nan 8.370 nan 0.000 0.508 429 D N -0.594 119.791 120.400 -0.026 0.000 2.481 429 D HA 0.187 4.827 4.640 -0.000 0.000 0.246 429 D C -1.829 174.537 176.300 0.109 0.000 1.109 429 D CA -2.319 51.715 54.000 0.057 0.000 0.845 429 D CB 2.237 43.110 40.800 0.120 0.000 1.160 429 D HN -0.149 nan 8.370 nan 0.000 0.534 430 P HA -0.185 nan 4.420 nan 0.000 0.216 430 P C 1.104 178.414 177.300 0.016 0.000 1.154 430 P CA 1.247 64.360 63.100 0.021 0.000 0.865 430 P CB 0.170 31.871 31.700 0.001 0.000 0.789 431 R N -1.803 118.712 120.500 0.025 0.000 2.211 431 R HA -0.143 4.197 4.340 -0.000 0.000 0.240 431 R C 1.768 177.924 176.300 -0.240 0.000 1.144 431 R CA 1.455 57.489 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 -0.045 121.196 121.300 -0.098 0.000 3.220 432 W HA 0.147 4.807 4.660 -0.000 0.000 0.328 432 W C 1.585 178.042 176.519 -0.103 0.000 1.205 432 W CA -0.603 56.683 57.345 -0.099 0.000 1.773 432 W CB -0.032 29.364 29.460 -0.106 0.000 1.086 432 W HN -0.002 nan 8.180 nan 0.000 0.622 433 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 57.147 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 -0.252 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 2.297 179.891 177.584 0.017 0.000 1.193 435 A CA 2.310 54.346 52.037 -0.002 0.000 0.629 435 A CB -1.641 17.406 19.000 0.078 0.000 0.826 435 A HN 0.075 nan 8.150 nan 0.000 0.447 436 M N -0.170 119.452 119.600 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 0.532 116.158 115.700 -0.124 0.000 2.365 437 S HA -0.221 4.249 4.470 -0.000 0.000 0.225 437 S C 1.696 176.139 174.600 -0.262 0.000 1.039 437 S CA 1.714 59.778 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 0.648 120.743 120.200 -0.176 0.000 2.110 438 E HA -0.136 4.214 4.350 -0.000 0.000 0.193 438 E C 2.454 178.975 176.600 -0.131 0.000 0.988 438 E CA 1.011 57.317 56.400 -0.157 0.000 0.804 438 E CB -0.224 29.418 29.700 -0.096 0.000 0.745 438 E HN 0.582 nan 8.360 nan 0.000 0.458 439 R N 0.172 120.622 120.500 -0.083 0.000 2.120 439 R HA -0.105 4.235 4.340 -0.000 0.000 0.234 439 R C 2.348 178.608 176.300 -0.067 0.000 1.123 439 R CA 0.914 56.992 56.100 -0.036 0.000 0.975 439 R CB -0.014 30.299 30.300 0.022 0.000 0.866 439 R HN 0.019 nan 8.270 nan 0.000 0.446 440 V N -0.001 119.827 119.914 -0.145 0.000 2.426 440 V HA -0.174 3.946 4.120 -0.000 0.000 0.242 440 V C 2.356 178.297 176.094 -0.255 0.000 1.036 440 V CA 2.010 64.211 62.300 -0.165 0.000 1.044 440 V CB -0.394 31.316 31.823 -0.188 0.000 0.688 440 V HN 0.512 nan 8.190 nan 0.000 0.462 441 T N -0.217 114.067 114.554 -0.451 0.000 2.665 441 T HA -0.309 4.041 4.350 -0.000 0.000 0.268 441 T C 1.945 176.516 174.700 -0.215 0.000 1.035 441 T CA 1.770 63.544 62.100 -0.544 0.000 1.151 441 T CB -0.486 67.954 68.868 -0.714 0.000 0.862 441 T HN 0.402 nan 8.240 nan 0.000 0.438 442 R N 0.464 120.854 120.500 -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 1.638 57.663 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 0.812 120.358 119.600 -0.090 0.000 2.080 443 M HA -0.182 4.298 4.480 -0.000 0.000 0.260 443 M C 2.008 178.252 176.300 -0.094 0.000 1.068 443 M CA 1.746 57.020 55.300 -0.044 0.000 1.109 443 M CB -0.032 32.581 32.600 0.022 0.000 1.342 443 M HN -0.019 nan 8.290 nan 0.000 0.405 444 V N 0.741 120.504 119.914 -0.250 0.000 2.332 444 V HA -0.316 3.804 4.120 -0.000 0.000 0.248 444 V C 2.318 178.302 176.094 -0.184 0.000 1.055 444 V CA 2.182 64.206 62.300 -0.459 0.000 1.038 444 V CB -0.963 30.572 31.823 -0.480 0.000 0.651 444 V HN 0.599 nan 8.190 nan 0.000 0.450 445 Q N -0.752 118.979 119.800 -0.116 0.000 2.135 445 Q HA -0.241 4.098 4.340 -0.000 0.000 0.204 445 Q C 2.513 178.439 176.000 -0.122 0.000 0.981 445 Q CA 1.785 57.535 55.803 -0.089 0.000 0.856 445 Q CB -0.161 28.547 28.738 -0.050 0.000 0.902 445 Q HN 0.540 nan 8.270 nan 0.000 0.425 446 R N 0.101 120.520 120.500 -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 -0.022 0.000 2.369 447 D HA -0.009 4.631 4.640 -0.000 0.000 0.211 447 D C 1.407 177.807 176.300 0.167 0.000 1.077 447 D CA 0.177 54.213 54.000 0.060 0.000 0.842 447 D CB 0.296 41.104 40.800 0.014 0.000 0.947 447 D HN 0.325 nan 8.370 nan 0.000 0.509 448 R N 0.810 121.421 120.500 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 0.284 118.888 118.700 -0.161 0.000 2.412 449 N HA -0.033 4.707 4.740 -0.000 0.000 0.184 449 N C -0.407 174.957 175.510 -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 38.356 38.487 -0.317 0.000 0.969 449 N HN 0.369 nan 8.380 nan 0.000 0.459 450 H N 1.577 120.562 119.070 -0.142 0.000 2.742 450 H HA 0.096 4.652 4.556 -0.000 0.000 0.302 450 H C -1.201 173.963 175.328 -0.274 0.000 1.069 450 H CA -1.203 54.742 56.048 -0.171 0.000 1.446 450 H CB 1.539 31.237 29.762 -0.107 0.000 1.462 450 H HN 0.030 nan 8.280 nan 0.000 0.499 451 P HA -0.154 nan 4.420 nan 0.000 0.218 451 P C 1.386 178.267 177.300 -0.698 0.000 1.148 451 P CA 1.170 63.925 63.100 -0.574 0.000 0.822 451 P CB 0.212 31.318 31.700 -0.991 0.000 0.784 452 S N -1.306 114.055 115.700 -0.566 0.000 2.447 452 S HA -0.014 4.456 4.470 -0.000 0.000 0.233 452 S C 1.054 175.617 174.600 -0.061 0.000 1.006 452 S CA 0.173 58.216 58.200 -0.262 0.000 0.957 452 S CB -1.314 61.851 63.200 -0.058 0.000 0.773 452 S HN -0.069 nan 8.310 nan 0.000 0.507 453 V N 3.479 123.317 119.914 -0.127 0.000 2.470 453 V HA 0.262 4.382 4.120 -0.000 0.000 0.276 453 V C 0.985 176.930 176.094 -0.249 0.000 1.040 453 V CA -0.076 62.116 62.300 -0.181 0.000 1.008 453 V CB 0.612 32.232 31.823 -0.337 0.000 0.990 453 V HN 0.627 nan 8.190 nan 0.000 0.477 454 I N 2.663 123.130 120.570 -0.173 0.000 4.327 454 I HA 0.526 4.696 4.170 -0.000 0.000 0.331 454 I C 0.241 176.231 176.117 -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 0.311 nan 8.210 nan 0.000 0.410 455 I N 0.247 120.665 120.570 -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 2.168 40.163 38.000 -0.009 0.000 1.259 455 I HN 0.014 nan 8.210 nan 0.000 0.423 456 W N 3.552 124.897 121.300 0.075 0.000 2.496 456 W HA 0.637 5.297 4.660 -0.000 0.000 0.327 456 W C 0.311 176.893 176.519 0.105 0.000 1.086 456 W CA -0.703 56.693 57.345 0.085 0.000 1.222 456 W CB 1.725 31.229 29.460 0.074 0.000 1.304 456 W HN 0.309 nan 8.180 nan 0.000 0.547 457 S N 2.896 118.825 115.700 0.383 0.000 2.532 457 S HA 0.390 4.860 4.470 -0.000 0.000 0.299 457 S C 0.251 175.021 174.600 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 0.578 55.517 54.840 0.165 0.000 0.872 458 L CB -1.217 40.846 42.059 0.007 0.000 0.992 458 L HN 0.998 nan 8.230 nan 0.000 0.447 459 G N -0.005 108.959 108.800 0.274 0.000 2.250 459 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.252 459 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.252 459 G C -1.662 173.430 174.900 0.320 0.000 1.325 459 G CA -0.528 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 0.183 119.024 118.700 0.234 0.000 2.504 460 N HA 0.438 5.178 4.740 -0.000 0.000 0.268 460 N C -0.531 174.943 175.510 -0.059 0.000 1.184 460 N CA 0.148 53.194 53.050 -0.007 0.000 0.875 460 N CB 1.397 39.620 38.487 -0.440 0.000 1.630 460 N HN 0.947 nan 8.380 nan 0.000 0.486 461 E N 0.719 120.790 120.200 -0.216 0.000 2.131 461 E HA -0.198 4.152 4.350 -0.000 0.000 0.166 461 E C -0.840 175.691 176.600 -0.115 0.000 1.514 461 E CA 0.791 56.993 56.400 -0.330 0.000 0.646 461 E CB -1.562 27.645 29.700 -0.821 0.000 1.051 461 E HN 0.417 nan 8.360 nan 0.000 0.315 462 S N 0.057 115.834 115.700 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 1.404 64.775 63.200 0.285 0.000 0.977 462 S HN 0.903 nan 8.310 nan 0.000 0.552 463 G N 2.060 110.974 108.800 0.190 0.000 2.575 463 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.267 463 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.267 463 G C -0.500 174.620 174.900 0.367 0.000 1.264 463 G CA 0.020 45.234 45.100 0.190 0.000 0.935 463 G HN 0.648 nan 8.290 nan 0.000 0.568 464 H N 0.499 119.698 119.070 0.215 0.000 2.840 464 H HA 0.582 5.138 4.556 -0.000 0.000 0.340 464 H C 0.157 175.664 175.328 0.297 0.000 1.004 464 H CA 0.089 56.291 56.048 0.256 0.000 1.288 464 H CB 0.934 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 0.458 4.418 3.960 -0.000 0.000 0.290 465 G HA3 0.458 4.418 3.960 -0.000 0.000 0.290 465 G C 0.501 175.231 174.900 -0.283 0.000 1.355 465 G CA -0.162 44.795 45.100 -0.237 0.000 0.903 465 G HN 0.657 nan 8.290 nan 0.000 0.474 466 A N 0.368 123.069 122.820 -0.197 0.000 2.032 466 A HA -0.120 4.200 4.320 -0.000 0.000 0.221 466 A C 2.117 179.664 177.584 -0.061 0.000 1.165 466 A CA 2.048 54.026 52.037 -0.097 0.000 0.645 466 A CB -0.460 18.508 19.000 -0.052 0.000 0.807 466 A HN 0.549 nan 8.150 nan 0.000 0.453 467 N N -0.296 118.324 118.700 -0.133 0.000 2.205 467 N HA -0.156 4.584 4.740 -0.000 0.000 0.186 467 N C 1.372 176.819 175.510 -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 0.801 nan 8.380 nan 0.000 0.429 468 H N 0.487 119.511 119.070 -0.076 0.000 2.321 468 H HA -0.038 4.518 4.556 -0.000 0.000 0.300 468 H C 1.276 176.655 175.328 0.086 0.000 1.087 468 H CA 1.328 57.347 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 0.498 121.043 120.400 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 1.247 55.389 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 0.698 123.614 122.820 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 53.142 52.037 0.145 0.000 0.627 470 A CB -0.740 18.303 19.000 0.072 0.000 0.818 470 A HN 0.217 nan 8.150 nan 0.000 0.445 471 L N -2.315 119.005 121.223 0.162 0.000 2.109 471 L HA -0.131 4.209 4.340 -0.000 0.000 0.207 471 L C 2.561 179.580 176.870 0.248 0.000 1.086 471 L CA 1.473 56.409 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 0.910 121.295 120.300 0.143 0.000 2.081 472 Y HA -0.309 4.241 4.550 -0.000 0.000 0.280 472 Y C 2.898 178.881 175.900 0.137 0.000 1.163 472 Y CA 1.598 59.783 58.100 0.142 0.000 1.135 472 Y CB -0.206 38.337 38.460 0.139 0.000 0.970 472 Y HN -0.058 nan 8.280 nan 0.000 0.498 473 R N 0.055 120.682 120.500 0.212 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 58.201 56.100 0.086 0.000 0.951 473 R CB -1.735 28.686 30.300 0.202 0.000 0.851 473 R HN 0.681 nan 8.270 nan 0.000 0.434 474 W N 1.241 122.502 121.300 -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 1.951 59.242 57.345 -0.090 0.000 1.266 474 W CB -0.441 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 0.649 121.204 120.570 -0.025 0.000 2.226 475 I HA -0.334 3.836 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 1.334 62.447 61.300 -0.311 0.000 1.374 475 I CB -0.910 36.989 38.000 -0.169 0.000 1.057 475 I HN -0.092 nan 8.210 nan 0.000 0.413 476 K N 1.103 121.302 120.400 -0.335 0.000 2.113 476 K HA -0.139 4.181 4.320 -0.000 0.000 0.208 476 K C 2.221 178.670 176.600 -0.251 0.000 1.047 476 K CA 1.658 57.775 56.287 -0.285 0.000 0.928 476 K CB -0.588 31.732 32.500 -0.301 0.000 0.716 476 K HN 0.354 nan 8.250 nan 0.000 0.446 477 S N 0.403 115.913 115.700 -0.317 0.000 2.395 477 S HA -0.037 4.433 4.470 -0.000 0.000 0.225 477 S C 2.230 176.605 174.600 -0.375 0.000 1.027 477 S CA 0.797 58.819 58.200 -0.298 0.000 0.965 477 S CB -0.171 62.866 63.200 -0.272 0.000 0.812 477 S HN -0.014 nan 8.310 nan 0.000 0.482 478 V N 1.380 120.930 119.914 -0.607 0.000 2.488 478 V HA 0.057 4.177 4.120 -0.000 0.000 0.246 478 V C 0.381 176.239 176.094 -0.395 0.000 1.046 478 V CA 1.252 63.182 62.300 -0.616 0.000 1.053 478 V CB -0.258 30.876 31.823 -1.148 0.000 0.679 478 V HN 0.394 nan 8.190 nan 0.000 0.458 479 D N -0.880 119.325 120.400 -0.326 0.000 2.336 479 D HA 0.265 4.905 4.640 -0.000 0.000 0.248 479 D C -2.239 174.042 176.300 -0.032 0.000 1.326 479 D CA -1.657 52.268 54.000 -0.125 0.000 0.973 479 D CB 1.902 42.710 40.800 0.013 0.000 1.255 479 D HN 0.071 nan 8.370 nan 0.000 0.558 480 P HA 0.003 nan 4.420 nan 0.000 0.245 480 P C 1.200 178.517 177.300 0.028 0.000 1.206 480 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 0.994 481 S N -0.602 115.126 115.700 0.047 0.000 2.481 481 S HA -0.004 4.466 4.470 -0.000 0.000 0.231 481 S C 0.890 175.520 174.600 0.049 0.000 0.996 481 S CA 0.101 58.333 58.200 0.053 0.000 0.942 481 S CB -0.433 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 0.826 121.375 120.500 0.082 0.000 2.725 482 R HA 0.599 4.939 4.340 -0.000 0.000 0.277 482 R C -3.209 173.156 176.300 0.109 0.000 0.987 482 R CA -2.323 53.799 56.100 0.036 0.000 0.901 482 R CB 1.438 31.651 30.300 -0.145 0.000 1.207 482 R HN 0.142 nan 8.270 nan 0.000 0.463 483 P HA 0.218 nan 4.420 nan 0.000 0.276 483 P C -0.819 176.583 177.300 0.170 0.000 1.244 483 P CA -0.524 62.639 63.100 0.105 0.000 0.801 483 P CB 0.864 32.609 31.700 0.075 0.000 1.006 484 V N 2.137 122.175 119.914 0.207 0.000 2.555 484 V HA 0.451 4.571 4.120 -0.000 0.000 0.302 484 V C 0.169 176.442 176.094 0.297 0.000 1.038 484 V CA -0.388 62.081 62.300 0.282 0.000 0.887 484 V CB 1.374 33.349 31.823 0.253 0.000 0.991 484 V HN 0.652 nan 8.190 nan 0.000 0.434 485 Q N 3.434 123.395 119.800 0.268 0.000 2.451 485 Q HA 0.820 5.160 4.340 -0.000 0.000 0.281 485 Q C -1.798 174.364 176.000 0.271 0.000 1.099 485 Q CA -0.980 54.951 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 0.129 120.448 120.300 0.032 0.000 2.357 486 Y HA 0.145 4.695 4.550 -0.000 0.000 0.319 486 Y C -0.444 175.408 175.900 -0.080 0.000 1.225 486 Y CA -0.634 57.454 58.100 -0.021 0.000 1.095 486 Y CB 2.017 40.459 38.460 -0.030 0.000 1.302 486 Y HN 0.958 nan 8.280 nan 0.000 0.429 487 E N 3.554 123.281 120.200 -0.789 0.000 2.250 487 E HA 0.113 4.463 4.350 -0.000 0.000 0.192 487 E C 0.748 176.917 176.600 -0.718 0.000 0.986 487 E CA 0.799 56.837 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 0.003 107.975 108.800 -1.379 0.000 2.464 488 G HA2 0.174 4.134 3.960 -0.000 0.000 0.231 488 G HA3 0.174 4.134 3.960 -0.000 0.000 0.231 488 G C 0.790 175.552 174.900 -0.229 0.000 1.267 488 G CA 0.371 45.061 45.100 -0.684 0.000 0.863 488 G HN 0.383 nan 8.290 nan 0.000 0.559 489 G N -0.357 108.407 108.800 -0.060 0.000 2.221 489 G HA2 0.233 4.193 3.960 -0.000 0.000 0.265 489 G HA3 0.233 4.193 3.960 -0.000 0.000 0.265 489 G C 1.290 176.188 174.900 -0.004 0.000 1.041 489 G CA 1.002 46.122 45.100 0.033 0.000 0.807 489 G HN 2.636 nan 8.290 nan 0.000 0.502 490 G N -1.665 107.129 108.800 -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 1.307 46.456 45.100 0.082 0.000 0.663 490 G HN 2.356 nan 8.290 nan 0.000 0.493 491 A N -0.220 122.592 122.820 -0.013 0.000 3.413 491 A HA -0.108 4.212 4.320 -0.000 0.000 0.268 491 A C 1.104 178.649 177.584 -0.066 0.000 1.128 491 A CA 2.658 54.640 52.037 -0.091 0.000 1.062 491 A CB -1.804 17.107 19.000 -0.149 0.000 1.121 491 A HN 2.108 nan 8.150 nan 0.000 0.895 492 D N -1.160 119.268 120.400 0.046 0.000 2.636 492 D HA 0.294 4.934 4.640 -0.000 0.000 0.270 492 D C 0.462 176.757 176.300 -0.008 0.000 1.430 492 D CA 0.826 54.863 54.000 0.063 0.000 0.796 492 D CB -1.158 39.821 40.800 0.298 0.000 1.117 492 D HN 0.839 nan 8.370 nan 0.000 0.480 493 T N -2.659 111.824 114.554 -0.118 0.000 2.698 493 T HA 0.129 4.479 4.350 -0.000 0.000 0.295 493 T C 1.625 176.197 174.700 -0.212 0.000 1.007 493 T CA 0.564 62.523 62.100 -0.236 0.000 0.980 493 T CB 1.091 69.607 68.868 -0.587 0.000 1.036 493 T HN 0.056 nan 8.240 nan 0.000 0.526 494 T N -1.573 112.841 114.554 -0.233 0.000 3.007 494 T HA 0.039 4.389 4.350 -0.000 0.000 0.270 494 T C 1.714 176.149 174.700 -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 0.111 122.702 122.820 -0.381 0.000 2.337 495 A HA 0.451 4.771 4.320 -0.000 0.000 0.227 495 A C 1.009 178.405 177.584 -0.315 0.000 1.259 495 A CA 0.116 51.873 52.037 -0.467 0.000 0.870 495 A CB -0.222 18.775 19.000 -0.005 0.000 0.927 495 A HN 0.504 nan 8.150 nan 0.000 0.497 496 T N -1.691 112.719 114.554 -0.241 0.000 2.912 496 T HA 0.390 4.740 4.350 -0.000 0.000 0.299 496 T C -0.544 174.185 174.700 0.049 0.000 1.052 496 T CA -0.469 61.638 62.100 0.011 0.000 0.996 496 T CB 1.350 70.225 68.868 0.011 0.000 1.070 496 T HN 0.071 nan 8.240 nan 0.000 0.465 497 D N 2.535 123.043 120.400 0.179 0.000 2.348 497 D HA 0.305 4.945 4.640 -0.000 0.000 0.211 497 D C 0.277 176.615 176.300 0.062 0.000 0.998 497 D CA 0.672 54.762 54.000 0.150 0.000 0.873 497 D CB 0.397 41.313 40.800 0.193 0.000 0.925 497 D HN 0.524 nan 8.370 nan 0.000 0.524 498 I N 0.603 121.190 120.570 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 5.160 125.632 120.570 -0.164 0.000 2.436 499 I HA 0.096 4.266 4.170 -0.000 0.000 0.289 499 I C -0.002 175.924 176.117 -0.319 0.000 1.083 499 I CA -0.054 61.065 61.300 -0.303 0.000 1.372 499 I CB 0.163 37.888 38.000 -0.459 0.000 1.408 499 I HN 0.633 nan 8.210 nan 0.000 0.516 500 C N 5.495 124.622 119.300 -0.288 0.000 3.414 500 C HA 0.487 4.947 4.460 -0.000 0.000 0.208 500 C C -2.224 172.627 174.990 -0.232 0.000 1.422 500 C CA -2.273 56.616 59.018 -0.216 0.000 1.437 500 C CB -0.922 26.749 27.740 -0.115 0.000 1.850 500 C HN 0.399 nan 8.230 nan 0.000 0.481 501 P HA 0.372 nan 4.420 nan 0.000 0.274 501 P C -0.465 176.761 177.300 -0.124 0.000 1.256 501 P CA 0.070 63.047 63.100 -0.206 0.000 0.795 501 P CB 0.726 32.281 31.700 -0.243 0.000 1.038 502 M N -0.166 119.389 119.600 -0.075 0.000 2.181 502 M HA 0.462 4.942 4.480 -0.000 0.000 0.323 502 M C -0.944 175.331 176.300 -0.042 0.000 1.004 502 M CA -0.598 54.577 55.300 -0.210 0.000 0.941 502 M CB 1.274 33.725 32.600 -0.249 0.000 1.579 502 M HN 0.348 nan 8.290 nan 0.000 0.427 503 Y N -0.112 120.327 120.300 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 36.313 38.460 0.181 0.000 1.622 503 Y HN 0.988 nan 8.280 nan 0.000 0.675 504 A N 1.270 124.288 122.820 0.329 0.000 2.425 504 A HA 0.580 4.900 4.320 -0.000 0.000 0.249 504 A C 0.707 178.485 177.584 0.324 0.000 1.084 504 A CA -0.475 51.758 52.037 0.326 0.000 0.781 504 A CB 0.394 19.613 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 0.981 177.252 176.300 -0.048 0.000 1.084 505 R CA -0.732 55.428 56.100 0.101 0.000 1.163 505 R CB 0.578 30.913 30.300 0.058 0.000 1.100 505 R HN 0.479 nan 8.270 nan 0.000 0.547 506 V N 0.860 120.595 119.914 -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 0.625 176.905 176.300 -0.032 0.000 1.120 507 D CA 0.070 54.022 54.000 -0.080 0.000 0.836 507 D CB 0.596 41.353 40.800 -0.071 0.000 1.019 507 D HN 0.690 nan 8.370 nan 0.000 0.507 508 E N 1.186 121.374 120.200 -0.019 0.000 2.191 508 E HA 0.367 4.717 4.350 -0.000 0.000 0.274 508 E C -0.856 175.749 176.600 0.009 0.000 0.948 508 E CA -0.773 55.624 56.400 -0.004 0.000 0.802 508 E CB 1.617 31.311 29.700 -0.010 0.000 1.137 508 E HN -0.295 nan 8.360 nan 0.000 0.397 509 D N 2.340 122.742 120.400 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 53.774 54.000 -0.014 0.000 0.909 509 D CB 1.356 42.214 40.800 0.097 0.000 1.186 509 D HN 0.407 nan 8.370 nan 0.000 0.431 510 Q N 1.574 121.159 119.800 -0.358 0.000 2.558 510 Q HA 0.267 4.607 4.340 -0.000 0.000 0.252 510 Q C -2.287 173.038 176.000 -1.125 0.000 1.015 510 Q CA -1.594 53.788 55.803 -0.701 0.000 0.720 510 Q CB 2.452 30.816 28.738 -0.625 0.000 1.215 510 Q HN 0.133 nan 8.270 nan 0.000 0.500 511 P HA 0.067 nan 4.420 nan 0.000 0.214 511 P C -0.782 176.170 177.300 -0.581 0.000 1.826 511 P CA -0.154 62.509 63.100 -0.729 0.000 0.977 511 P CB -0.544 30.932 31.700 -0.372 0.000 1.930 512 F N 2.296 122.098 119.950 -0.247 0.000 2.459 512 F HA 0.240 4.767 4.527 -0.000 0.000 0.346 512 F C -1.188 174.506 175.800 -0.176 0.000 1.128 512 F CA -2.603 55.296 58.000 -0.168 0.000 1.268 512 F CB -0.447 38.471 39.000 -0.136 0.000 1.161 512 F HN 0.046 nan 8.300 nan 0.000 0.583 513 P HA 0.064 nan 4.420 nan 0.000 0.268 513 P C 0.338 177.656 177.300 0.029 0.000 1.204 513 P CA 0.911 64.030 63.100 0.031 0.000 0.768 513 P CB 1.155 32.874 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 2.062 54.105 52.037 0.010 0.000 1.149 514 A CB -2.637 16.372 19.000 0.016 0.000 1.321 514 A HN 0.736 nan 8.150 nan 0.000 0.679 515 V N -3.725 116.190 119.914 0.001 0.000 2.703 515 V HA 0.542 4.662 4.120 -0.000 0.000 0.290 515 V C -2.640 173.457 176.094 0.004 0.000 1.035 515 V CA -1.103 61.196 62.300 -0.002 0.000 1.185 515 V CB 0.824 32.660 31.823 0.022 0.000 1.178 515 V HN 0.445 nan 8.190 nan 0.000 0.562 516 P HA 0.342 nan 4.420 nan 0.000 0.272 516 P C -0.712 176.118 177.300 -0.784 0.000 1.230 516 P CA 0.092 62.810 63.100 -0.636 0.000 0.788 516 P CB 0.989 31.918 31.700 -1.286 0.000 0.949 517 K N 1.916 121.874 120.400 -0.736 0.000 2.464 517 K HA 0.235 4.554 4.320 -0.000 0.000 0.252 517 K C -0.517 175.790 176.600 -0.489 0.000 1.000 517 K CA -0.263 55.785 56.287 -0.399 0.000 0.951 517 K CB 0.697 33.253 32.500 0.094 0.000 1.183 517 K HN 0.488 nan 8.250 nan 0.000 0.445 518 W N 1.584 122.623 121.300 -0.435 0.000 2.126 518 W HA 0.046 4.706 4.660 -0.000 0.000 0.346 518 W C 1.346 177.892 176.519 0.045 0.000 1.279 518 W CA -0.673 56.505 57.345 -0.278 0.000 1.259 518 W CB 0.534 29.670 29.460 -0.540 0.000 1.133 518 W HN 0.441 nan 8.180 nan 0.000 0.592 519 S N 3.202 119.071 115.700 0.282 0.000 2.558 519 S HA -0.076 4.394 4.470 -0.000 0.000 0.288 519 S C 1.082 175.831 174.600 0.249 0.000 1.318 519 S CA -0.210 58.093 58.200 0.172 0.000 1.056 519 S CB 0.286 63.519 63.200 0.055 0.000 0.853 519 S HN 0.554 nan 8.310 nan 0.000 0.505 520 I N 1.102 121.775 120.570 0.171 0.000 2.454 520 I HA -0.160 4.010 4.170 -0.000 0.000 0.254 520 I C 1.855 177.988 176.117 0.027 0.000 1.156 520 I CA 1.111 62.510 61.300 0.166 0.000 1.433 520 I CB -0.574 37.457 38.000 0.051 0.000 1.082 520 I HN 0.664 nan 8.210 nan 0.000 0.432 521 K N 2.135 122.455 120.400 -0.133 0.000 2.097 521 K HA -0.172 4.147 4.320 -0.000 0.000 0.205 521 K C 2.151 178.728 176.600 -0.039 0.000 1.050 521 K CA 1.604 57.736 56.287 -0.258 0.000 0.938 521 K CB -0.337 31.898 32.500 -0.442 0.000 0.718 521 K HN 0.440 nan 8.250 nan 0.000 0.442 522 K N 0.700 121.104 120.400 0.007 0.000 2.103 522 K HA -0.150 4.170 4.320 -0.000 0.000 0.204 522 K C 1.924 178.525 176.600 0.002 0.000 1.052 522 K CA 0.678 56.951 56.287 -0.023 0.000 0.945 522 K CB -0.091 32.365 32.500 -0.073 0.000 0.722 522 K HN 0.194 nan 8.250 nan 0.000 0.443 523 W N 2.041 123.300 121.300 -0.069 0.000 2.321 523 W HA -0.208 4.452 4.660 -0.000 0.000 0.306 523 W C 1.551 178.029 176.519 -0.068 0.000 1.217 523 W CA 1.296 58.611 57.345 -0.051 0.000 1.257 523 W CB -0.577 28.953 29.460 0.117 0.000 1.145 523 W HN 0.120 nan 8.180 nan 0.000 0.509 524 L N 0.852 122.217 121.223 0.237 0.000 2.127 524 L HA -0.254 4.086 4.340 -0.000 0.000 0.211 524 L C 2.564 179.486 176.870 0.087 0.000 1.089 524 L CA 1.911 56.831 54.840 0.133 0.000 0.757 524 L CB -0.990 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 -0.958 114.771 115.700 0.047 0.000 2.558 525 S HA 0.109 4.579 4.470 -0.000 0.000 0.217 525 S C 0.824 175.395 174.600 -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 2.523 123.701 121.223 -0.076 0.000 2.543 526 L HA 0.195 4.535 4.340 -0.000 0.000 0.285 526 L C -2.227 174.606 176.870 -0.062 0.000 1.236 526 L CA -1.544 53.215 54.840 -0.134 0.000 0.871 526 L CB -0.417 41.526 42.059 -0.192 0.000 1.121 526 L HN 0.065 nan 8.230 nan 0.000 0.501 527 P HA -0.010 nan 4.420 nan 0.000 0.260 527 P C 0.841 178.130 177.300 -0.019 0.000 1.185 527 P CA 0.930 64.004 63.100 -0.043 0.000 0.763 527 P CB 0.626 32.295 31.700 -0.051 0.000 0.776 528 G N 2.068 110.865 108.800 -0.006 0.000 2.225 528 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.254 528 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.254 528 G C 0.242 175.155 174.900 0.022 0.000 0.988 528 G CA 0.075 45.180 45.100 0.008 0.000 0.625 528 G HN 0.626 nan 8.290 nan 0.000 0.527 529 E N 1.241 121.459 120.200 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 0.833 57.265 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 0.747 115.321 114.554 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 2.271 122.776 120.500 0.009 0.000 2.707 531 R HA 0.435 4.775 4.340 -0.000 0.000 0.270 531 R C -2.522 173.759 176.300 -0.031 0.000 1.083 531 R CA -1.588 54.507 56.100 -0.009 0.000 1.182 531 R CB -0.001 30.288 30.300 -0.018 0.000 1.084 531 R HN 0.254 nan 8.270 nan 0.000 0.528 532 P HA 0.168 nan 4.420 nan 0.000 0.278 532 P C -1.152 176.079 177.300 -0.115 0.000 1.258 532 P CA -0.280 62.779 63.100 -0.069 0.000 0.811 532 P CB 0.736 32.396 31.700 -0.068 0.000 1.063 533 L N 1.967 123.102 121.223 -0.148 0.000 2.381 533 L HA 0.611 4.951 4.340 -0.000 0.000 0.274 533 L C -1.236 175.496 176.870 -0.231 0.000 0.988 533 L CA -0.685 54.029 54.840 -0.210 0.000 0.824 533 L CB 0.854 42.773 42.059 -0.234 0.000 1.263 533 L HN 0.228 nan 8.230 nan 0.000 0.410 534 I N 5.333 125.770 120.570 -0.222 0.000 2.512 534 I HA 0.280 4.450 4.170 -0.000 0.000 0.287 534 I C -0.907 175.110 176.117 -0.167 0.000 1.069 534 I CA -0.538 60.621 61.300 -0.235 0.000 1.056 534 I CB 2.097 40.005 38.000 -0.153 0.000 1.229 534 I HN 0.463 nan 8.210 nan 0.000 0.429 535 L N 5.562 126.658 121.223 -0.211 0.000 2.367 535 L HA 0.117 4.457 4.340 -0.000 0.000 0.275 535 L C 1.382 178.315 176.870 0.105 0.000 1.129 535 L CA -0.214 54.565 54.840 -0.100 0.000 0.839 535 L CB 0.765 42.744 42.059 -0.132 0.000 1.133 535 L HN 0.861 nan 8.230 nan 0.000 0.453 536 C N 0.021 119.363 119.300 0.070 0.000 2.464 536 C HA 0.175 4.635 4.460 -0.000 0.000 0.278 536 C C 0.679 175.783 174.990 0.190 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 -0.001 0.000 1.944 536 C HN 0.843 nan 8.230 nan 0.000 0.509 537 E N -0.899 119.335 120.200 0.056 0.000 2.304 537 E HA 0.635 4.985 4.350 -0.000 0.000 0.277 537 E C -1.271 175.245 176.600 -0.139 0.000 0.898 537 E CA -0.398 55.998 56.400 -0.006 0.000 0.764 537 E CB 2.034 31.485 29.700 -0.415 0.000 1.216 537 E HN 0.645 nan 8.360 nan 0.000 0.419 538 Y N -0.388 119.871 120.300 -0.069 0.000 2.656 538 Y HA 0.630 5.180 4.550 -0.000 0.000 0.334 538 Y C -0.732 175.326 175.900 0.262 0.000 1.179 538 Y CA -0.893 57.203 58.100 -0.007 0.000 1.050 538 Y CB 0.979 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 0.550 119.763 119.070 0.238 0.000 3.237 540 H HA 0.159 4.715 4.556 -0.000 0.000 0.270 540 H C 1.267 176.638 175.328 0.072 0.000 0.900 540 H CA 0.801 56.983 56.048 0.223 0.000 1.415 540 H CB 0.386 30.155 29.762 0.013 0.000 1.484 540 H HN 0.840 nan 8.280 nan 0.000 0.540 541 A N 6.454 129.145 122.820 -0.214 0.000 2.416 541 A HA 0.030 4.350 4.320 -0.000 0.000 0.252 541 A C 0.982 178.386 177.584 -0.299 0.000 1.353 541 A CA -0.343 51.549 52.037 -0.242 0.000 0.996 541 A CB -0.536 18.317 19.000 -0.246 0.000 0.961 541 A HN 0.791 nan 8.150 nan 0.000 0.523 542 M N 1.314 120.702 119.600 -0.353 0.000 2.220 542 M HA 0.425 4.905 4.480 -0.000 0.000 0.343 542 M C 0.982 177.141 176.300 -0.235 0.000 1.470 542 M CA 1.241 56.370 55.300 -0.286 0.000 1.161 542 M CB -0.374 32.088 32.600 -0.230 0.000 1.737 542 M HN 0.771 nan 8.290 nan 0.000 0.464 543 G N 4.506 113.158 108.800 -0.248 0.000 2.550 543 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.277 543 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.277 543 G C -0.187 174.284 174.900 -0.715 0.000 1.190 543 G CA 0.068 44.886 45.100 -0.470 0.000 0.971 543 G HN 0.826 nan 8.290 nan 0.000 0.559 544 N N 1.498 119.602 118.700 -0.993 0.000 2.466 544 N HA 0.507 5.247 4.740 -0.000 0.000 0.263 544 N C 0.022 175.283 175.510 -0.415 0.000 1.178 544 N CA 1.110 53.698 53.050 -0.771 0.000 0.983 544 N CB 0.423 38.463 38.487 -0.745 0.000 1.331 544 N HN 0.747 nan 8.380 nan 0.000 0.500 545 S N 1.702 117.237 115.700 -0.275 0.000 3.144 545 S HA 0.580 5.050 4.470 -0.000 0.000 0.325 545 S C -0.110 174.414 174.600 -0.127 0.000 1.161 545 S CA -0.388 57.702 58.200 -0.184 0.000 0.920 545 S CB 0.165 63.275 63.200 -0.150 0.000 1.340 545 S HN 0.377 nan 8.310 nan 0.000 0.681 546 L N 0.207 121.383 121.223 -0.078 0.000 4.613 546 L HA -0.070 4.270 4.340 -0.000 0.000 0.409 546 L C 0.452 177.349 176.870 0.046 0.000 1.100 546 L CA 0.915 55.731 54.840 -0.040 0.000 1.029 546 L CB -1.730 40.225 42.059 -0.174 0.000 2.137 546 L HN 0.694 nan 8.230 nan 0.000 0.713 547 G N -0.758 108.041 108.800 -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 1.215 176.157 174.900 0.071 0.000 1.277 547 G CA 0.192 45.276 45.100 -0.025 0.000 0.909 547 G HN 1.382 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 45.848 45.100 0.176 0.000 0.646 548 G HN 0.736 nan 8.290 nan 0.000 0.517 549 F N 2.070 122.150 119.950 0.216 0.000 2.087 549 F HA 0.014 4.541 4.527 -0.000 0.000 0.299 549 F C 2.740 178.772 175.800 0.387 0.000 1.100 549 F CA 2.854 61.051 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 -0.193 122.786 122.820 0.266 0.000 1.978 550 A HA -0.226 4.094 4.320 -0.000 0.000 0.220 550 A C 2.312 179.909 177.584 0.021 0.000 1.170 550 A CA 1.720 53.842 52.037 0.141 0.000 0.636 550 A CB -0.692 18.397 19.000 0.149 0.000 0.810 550 A HN 0.421 nan 8.150 nan 0.000 0.448 551 K N -1.389 119.007 120.400 -0.006 0.000 2.044 551 K HA -0.215 4.105 4.320 -0.000 0.000 0.210 551 K C 1.844 178.203 176.600 -0.401 0.000 1.049 551 K CA 2.049 58.239 56.287 -0.162 0.000 0.927 551 K CB -0.434 31.948 32.500 -0.196 0.000 0.713 551 K HN 0.665 nan 8.250 nan 0.000 0.443 552 Y N -0.519 119.492 120.300 -0.482 0.000 2.097 552 Y HA -0.278 4.272 4.550 -0.000 0.000 0.282 552 Y C 2.296 177.186 175.900 -1.684 0.000 1.152 552 Y CA 1.541 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 0.367 121.228 121.300 -0.732 0.000 2.338 553 W HA -0.254 4.406 4.660 -0.000 0.000 0.304 553 W C 2.713 179.044 176.519 -0.314 0.000 1.212 553 W CA 2.042 59.090 57.345 -0.495 0.000 1.264 553 W CB -0.742 28.515 29.460 -0.339 0.000 1.142 553 W HN 0.153 nan 8.180 nan 0.000 0.512 554 Q N 0.203 119.894 119.800 -0.181 0.000 2.079 554 Q HA -0.187 4.153 4.340 -0.000 0.000 0.200 554 Q C 2.275 178.197 176.000 -0.130 0.000 0.974 554 Q CA 1.931 57.675 55.803 -0.100 0.000 0.840 554 Q CB -0.397 28.299 28.738 -0.070 0.000 0.898 554 Q HN 0.228 nan 8.270 nan 0.000 0.430 555 A N 0.359 123.003 122.820 -0.294 0.000 1.902 555 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 555 A C 1.864 179.404 177.584 -0.074 0.000 1.181 555 A CA 1.125 53.034 52.037 -0.214 0.000 0.623 555 A CB -1.072 17.675 19.000 -0.422 0.000 0.818 555 A HN 0.535 nan 8.150 nan 0.000 0.443 556 F N -0.295 119.470 119.950 -0.308 0.000 2.120 556 F HA -0.243 4.284 4.527 -0.000 0.000 0.300 556 F C 2.757 178.452 175.800 -0.175 0.000 1.095 556 F CA 1.230 59.018 58.000 -0.353 0.000 1.249 556 F CB -0.191 38.395 39.000 -0.690 0.000 0.995 556 F HN 0.158 nan 8.300 nan 0.000 0.480 557 R N 0.036 120.589 120.500 0.089 0.000 2.148 557 R HA -0.182 4.158 4.340 -0.000 0.000 0.227 557 R C 2.067 178.400 176.300 0.054 0.000 1.103 557 R CA 1.282 57.420 56.100 0.064 0.000 0.983 557 R CB -0.382 29.951 30.300 0.055 0.000 0.874 557 R HN 0.429 nan 8.270 nan 0.000 0.451 558 Q N -0.417 119.445 119.800 0.103 0.000 2.376 558 Q HA -0.016 4.324 4.340 -0.000 0.000 0.206 558 Q C -0.582 175.442 176.000 0.040 0.000 0.921 558 Q CA 0.534 56.381 55.803 0.074 0.000 0.911 558 Q CB 0.534 29.332 28.738 0.100 0.000 1.032 558 Q HN 0.177 nan 8.270 nan 0.000 0.510 559 Y N 0.335 120.611 120.300 -0.040 0.000 2.334 559 Y HA 0.312 4.862 4.550 -0.000 0.000 0.336 559 Y C -1.806 174.064 175.900 -0.049 0.000 0.960 559 Y CA -2.914 55.162 58.100 -0.039 0.000 1.164 559 Y CB 1.505 39.944 38.460 -0.034 0.000 1.155 559 Y HN 0.073 nan 8.280 nan 0.000 0.478 560 P HA -0.221 nan 4.420 nan 0.000 0.215 560 P C 1.264 178.564 177.300 -0.001 0.000 1.163 560 P CA 1.883 64.986 63.100 0.004 0.000 0.894 560 P CB 0.335 32.022 31.700 -0.021 0.000 0.791 561 R N -1.097 119.420 120.500 0.028 0.000 2.316 561 R HA 0.066 4.406 4.340 -0.000 0.000 0.202 561 R C 0.542 176.818 176.300 -0.039 0.000 1.029 561 R CA 0.239 56.337 56.100 -0.003 0.000 1.018 561 R CB -0.552 29.757 30.300 0.015 0.000 0.888 561 R HN 0.289 nan 8.270 nan 0.000 0.471 562 L N 2.040 123.255 121.223 -0.014 0.000 2.282 562 L HA 0.131 4.471 4.340 -0.000 0.000 0.287 562 L C 0.682 177.412 176.870 -0.232 0.000 1.075 562 L CA 0.107 54.893 54.840 -0.090 0.000 0.839 562 L CB 1.183 43.258 42.059 0.026 0.000 1.219 562 L HN 0.023 nan 8.230 nan 0.000 0.434 563 Q N 2.880 122.475 119.800 -0.342 0.000 2.201 563 Q HA 0.332 4.672 4.340 -0.000 0.000 0.217 563 Q C 0.845 176.440 176.000 -0.675 0.000 0.860 563 Q CA 0.101 55.659 55.803 -0.409 0.000 0.984 563 Q CB 0.978 29.564 28.738 -0.254 0.000 1.095 563 Q HN 0.941 nan 8.270 nan 0.000 0.477 564 G N -0.289 107.754 108.800 -1.263 0.000 2.416 564 G HA2 0.142 4.102 3.960 -0.000 0.000 0.203 564 G HA3 0.142 4.102 3.960 -0.000 0.000 0.203 564 G C -0.336 173.806 174.900 -1.263 0.000 1.227 564 G CA -0.741 43.301 45.100 -1.764 0.000 1.041 564 G HN 0.583 nan 8.290 nan 0.000 0.546 565 G N -2.234 106.048 108.800 -0.863 0.000 2.342 565 G HA2 0.655 4.615 3.960 -0.000 0.000 0.297 565 G HA3 0.655 4.615 3.960 -0.000 0.000 0.297 565 G C -1.872 172.900 174.900 -0.213 0.000 1.313 565 G CA -0.323 44.479 45.100 -0.496 0.000 0.830 565 G HN 1.132 nan 8.290 nan 0.000 0.506 566 F N 0.491 120.667 119.950 0.376 0.000 2.449 566 F HA 0.542 5.069 4.527 -0.000 0.000 0.342 566 F C 0.676 176.752 175.800 0.459 0.000 1.127 566 F CA -0.773 57.471 58.000 0.408 0.000 0.975 566 F CB 2.236 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 3.175 123.383 119.914 0.490 0.000 2.811 567 V HA -0.051 4.069 4.120 -0.000 0.000 0.302 567 V C -0.403 175.840 176.094 0.247 0.000 1.063 567 V CA -0.439 61.960 62.300 0.165 0.000 1.088 567 V CB 1.009 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 6.477 127.835 121.300 0.097 0.000 2.336 568 W HA 0.471 5.131 4.660 -0.000 0.000 0.315 568 W C -0.925 175.587 176.519 -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 3.057 123.121 120.400 -0.559 0.000 2.752 569 D HA 0.071 4.711 4.640 -0.000 0.000 0.313 569 D C 0.664 176.727 176.300 -0.396 0.000 1.225 569 D CA -0.530 53.021 54.000 -0.749 0.000 0.976 569 D CB 0.306 40.033 40.800 -1.788 0.000 1.443 569 D HN 0.447 nan 8.370 nan 0.000 0.515 570 W N 0.727 121.696 121.300 -0.551 0.000 2.322 570 W HA -0.007 4.653 4.660 -0.000 0.000 0.326 570 W C -0.025 176.243 176.519 -0.418 0.000 1.224 570 W CA 1.514 58.590 57.345 -0.448 0.000 1.257 570 W CB 0.134 29.365 29.460 -0.383 0.000 1.174 570 W HN 0.216 nan 8.180 nan 0.000 0.460 571 V N 0.917 120.626 119.914 -0.343 0.000 2.769 571 V HA 0.273 4.393 4.120 -0.000 0.000 0.312 571 V C -0.499 175.385 176.094 -0.351 0.000 1.061 571 V CA -1.174 60.852 62.300 -0.457 0.000 0.931 571 V CB 1.385 33.060 31.823 -0.247 0.000 1.010 571 V HN -0.072 nan 8.190 nan 0.000 0.433 572 D N 2.050 122.258 120.400 -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 41.880 40.800 -0.066 0.000 1.195 572 D HN 0.630 nan 8.370 nan 0.000 0.443 573 Q N 0.979 120.560 119.800 -0.365 0.000 3.207 573 Q HA 0.151 4.491 4.340 -0.000 0.000 0.335 573 Q C -0.370 175.624 176.000 -0.010 0.000 1.374 573 Q CA -0.326 55.088 55.803 -0.649 0.000 1.023 573 Q CB 0.190 28.612 28.738 -0.526 0.000 1.576 573 Q HN 0.359 nan 8.270 nan 0.000 0.515 574 S N -0.010 115.793 115.700 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 -0.422 176.366 176.870 -0.136 0.000 1.013 575 L CA -1.098 53.713 54.840 -0.049 0.000 0.816 575 L CB 1.432 43.332 42.059 -0.265 0.000 1.287 575 L HN 0.626 nan 8.230 nan 0.000 0.435 576 I N 1.730 122.158 120.570 -0.236 0.000 2.472 576 I HA 0.253 4.423 4.170 -0.000 0.000 0.290 576 I C 0.057 175.793 176.117 -0.635 0.000 1.016 576 I CA 0.159 61.194 61.300 -0.441 0.000 1.348 576 I CB 0.889 38.649 38.000 -0.400 0.000 1.417 576 I HN 0.518 nan 8.210 nan 0.000 0.521 577 K N 4.302 124.020 120.400 -1.137 0.000 2.466 577 K HA 0.585 4.905 4.320 -0.000 0.000 0.260 577 K C -1.779 174.048 176.600 -1.288 0.000 1.011 577 K CA -0.872 54.698 56.287 -1.195 0.000 0.871 577 K CB 2.316 33.816 32.500 -1.666 0.000 1.404 577 K HN 0.245 nan 8.250 nan 0.000 0.450 578 Y N 0.340 120.433 120.300 -0.345 0.000 2.499 578 Y HA 0.198 4.748 4.550 -0.000 0.000 0.347 578 Y C -0.027 176.015 175.900 0.237 0.000 0.987 578 Y CA -1.229 56.862 58.100 -0.015 0.000 1.044 578 Y CB 1.226 39.678 38.460 -0.013 0.000 1.245 578 Y HN 0.640 nan 8.280 nan 0.000 0.461 579 D N -0.374 120.305 120.400 0.465 0.000 2.432 579 D HA 0.157 4.797 4.640 -0.000 0.000 0.258 579 D C 0.469 176.889 176.300 0.199 0.000 1.146 579 D CA -0.566 53.617 54.000 0.305 0.000 1.015 579 D CB 0.756 41.671 40.800 0.193 0.000 1.107 579 D HN 0.539 nan 8.370 nan 0.000 0.529 580 E N -0.024 120.247 120.200 0.117 0.000 2.130 580 E HA -0.213 4.137 4.350 -0.000 0.000 0.196 580 E C 0.784 177.422 176.600 0.063 0.000 0.998 580 E CA 1.365 57.807 56.400 0.069 0.000 0.806 580 E CB -0.666 29.058 29.700 0.038 0.000 0.738 580 E HN 0.427 nan 8.360 nan 0.000 0.459 581 N N 0.530 119.277 118.700 0.078 0.000 2.434 581 N HA 0.114 4.854 4.740 -0.000 0.000 0.196 581 N C 0.637 176.201 175.510 0.090 0.000 1.183 581 N CA 0.828 53.919 53.050 0.068 0.000 0.849 581 N CB 0.304 38.827 38.487 0.058 0.000 0.992 581 N HN 0.316 nan 8.380 nan 0.000 0.460 582 G N 0.724 109.594 108.800 0.118 0.000 2.273 582 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.280 582 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.280 582 G C -0.470 174.612 174.900 0.302 0.000 1.047 582 G CA -0.262 44.916 45.100 0.131 0.000 0.869 582 G HN 0.307 nan 8.290 nan 0.000 0.502 583 N N 1.025 119.922 118.700 0.329 0.000 2.421 583 N HA 0.489 5.229 4.740 -0.000 0.000 0.285 583 N C -2.464 173.222 175.510 0.294 0.000 1.027 583 N CA -1.484 51.745 53.050 0.298 0.000 0.918 583 N CB 2.117 40.722 38.487 0.196 0.000 1.152 583 N HN 0.129 nan 8.380 nan 0.000 0.485 584 P HA 0.297 nan 4.420 nan 0.000 0.279 584 P C -0.557 176.659 177.300 -0.139 0.000 1.239 584 P CA -0.313 62.507 63.100 -0.467 0.000 0.789 584 P CB 0.628 32.114 31.700 -0.356 0.000 0.933 585 W N -0.158 120.869 121.300 -0.454 0.000 3.213 585 W HA 0.382 5.042 4.660 -0.000 0.000 0.318 585 W C -1.491 174.842 176.519 -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 29.362 29.460 -0.602 0.000 1.403 585 W HN 0.149 nan 8.180 nan 0.000 0.556 586 S N 1.892 117.660 115.700 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 0.974 64.279 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 0.879 5.199 4.320 -0.000 0.000 0.331 587 A C -0.630 177.254 177.584 0.501 0.000 1.137 587 A CA -0.822 51.317 52.037 0.169 0.000 0.807 587 A CB 0.705 19.542 19.000 -0.272 0.000 1.250 587 A HN 0.870 nan 8.150 nan 0.000 0.468 588 Y N -0.763 119.894 120.300 0.594 0.000 2.965 588 Y HA 0.766 5.316 4.550 -0.000 0.000 0.310 588 Y C 0.620 176.899 175.900 0.633 0.000 1.480 588 Y CA -1.363 57.072 58.100 0.557 0.000 1.094 588 Y CB -0.019 38.591 38.460 0.250 0.000 1.377 588 Y HN 0.960 nan 8.280 nan 0.000 0.514 589 G N 0.014 109.213 108.800 0.665 0.000 2.224 589 G HA2 0.355 4.315 3.960 -0.000 0.000 0.239 589 G HA3 0.355 4.315 3.960 -0.000 0.000 0.239 589 G C 1.002 176.243 174.900 0.568 0.000 1.240 589 G CA 0.504 45.930 45.100 0.543 0.000 0.896 589 G HN 2.021 nan 8.290 nan 0.000 0.496 590 G N 2.277 111.382 108.800 0.508 0.000 2.234 590 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.260 590 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.260 590 G C 0.881 175.996 174.900 0.357 0.000 0.987 590 G CA 0.717 46.050 45.100 0.388 0.000 0.625 590 G HN 0.669 nan 8.290 nan 0.000 0.532 591 D N -0.361 120.287 120.400 0.413 0.000 2.392 591 D HA 0.146 4.786 4.640 -0.000 0.000 0.228 591 D C 1.249 177.408 176.300 -0.236 0.000 1.003 591 D CA 0.556 54.628 54.000 0.120 0.000 0.917 591 D CB -0.200 40.634 40.800 0.056 0.000 0.890 591 D HN 0.480 nan 8.370 nan 0.000 0.532 592 F N -1.066 118.998 119.950 0.190 0.000 2.735 592 F HA 0.313 4.840 4.527 -0.000 0.000 0.308 592 F C 1.739 177.622 175.800 0.137 0.000 1.112 592 F CA -0.296 57.781 58.000 0.127 0.000 1.235 592 F CB 0.598 39.667 39.000 0.116 0.000 1.027 592 F HN -0.070 nan 8.300 nan 0.000 0.528 593 G N 0.746 109.706 108.800 0.267 0.000 2.155 593 G HA2 -0.297 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 -0.140 174.903 174.900 0.238 0.000 0.983 593 G CA 0.307 45.531 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 0.011 176.442 176.300 0.219 0.000 1.147 594 D CA 0.535 54.715 54.000 0.299 0.000 0.879 594 D CB 1.185 42.221 40.800 0.392 0.000 1.179 594 D HN 0.059 nan 8.370 nan 0.000 0.456 595 T N 2.332 116.986 114.554 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 -0.950 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 62.376 63.100 0.001 0.000 0.811 596 P CB 0.787 32.461 31.700 -0.044 0.000 1.154 597 N N -1.166 117.523 118.700 -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 40.095 38.487 0.124 0.000 1.521 597 N HN 0.201 nan 8.380 nan 0.000 0.497 598 D N 0.012 120.352 120.400 -0.101 0.000 2.462 598 D HA 0.187 4.827 4.640 -0.000 0.000 0.221 598 D C 0.373 176.852 176.300 0.298 0.000 1.173 598 D CA -0.197 53.807 54.000 0.006 0.000 0.831 598 D CB 0.941 41.612 40.800 -0.216 0.000 1.001 598 D HN 0.552 nan 8.370 nan 0.000 0.499 599 R N 0.116 120.826 120.500 0.349 0.000 3.853 599 R HA -0.333 4.007 4.340 -0.000 0.000 0.440 599 R C 1.390 177.722 176.300 0.053 0.000 0.241 599 R CA 1.824 58.128 56.100 0.340 0.000 1.395 599 R CB -1.335 29.096 30.300 0.218 0.000 0.984 599 R HN 0.052 nan 8.270 nan 0.000 0.570 600 Q N 0.268 119.801 119.800 -0.444 0.000 2.291 600 Q HA -0.028 4.312 4.340 -0.000 0.000 0.206 600 Q C 1.717 177.537 176.000 -0.301 0.000 0.976 600 Q CA 1.660 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 1.092 120.916 119.950 -0.210 0.000 2.214 601 F HA -0.300 4.227 4.527 -0.000 0.000 0.302 601 F C 1.691 177.397 175.800 -0.156 0.000 1.063 601 F CA 1.228 59.187 58.000 -0.069 0.000 1.319 601 F CB -0.233 38.814 39.000 0.078 0.000 1.046 601 F HN 0.357 nan 8.300 nan 0.000 0.505 602 C N -1.351 117.576 119.300 -0.623 0.000 2.576 602 C HA 0.223 4.683 4.460 -0.000 0.000 0.267 602 C C 0.974 175.703 174.990 -0.435 0.000 1.364 602 C CA -0.522 58.025 59.018 -0.786 0.000 1.723 602 C CB -1.934 24.889 27.740 -1.528 0.000 1.778 602 C HN 0.200 nan 8.230 nan 0.000 0.572 603 M N 2.966 122.352 119.600 -0.356 0.000 2.036 603 M HA 0.340 4.820 4.480 -0.000 0.000 0.337 603 M C -0.473 175.658 176.300 -0.281 0.000 1.012 603 M CA 0.245 55.393 55.300 -0.253 0.000 0.962 603 M CB 0.509 33.019 32.600 -0.150 0.000 1.423 603 M HN 0.218 nan 8.290 nan 0.000 0.405 604 N N 1.574 120.090 118.700 -0.305 0.000 2.232 604 N HA 0.163 4.903 4.740 -0.000 0.000 0.240 604 N C 0.212 175.475 175.510 -0.411 0.000 1.307 604 N CA -0.097 52.725 53.050 -0.380 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 -0.011 108.531 108.800 -0.430 0.000 2.504 605 G HA2 0.449 4.409 3.960 -0.000 0.000 0.288 605 G HA3 0.449 4.409 3.960 -0.000 0.000 0.288 605 G C 0.890 175.330 174.900 -0.767 0.000 1.182 605 G CA -0.473 44.286 45.100 -0.569 0.000 0.894 605 G HN 0.108 nan 8.290 nan 0.000 0.521 606 L N -0.244 120.522 121.223 -0.762 0.000 2.418 606 L HA 0.155 4.495 4.340 -0.000 0.000 0.218 606 L C 0.714 176.908 176.870 -1.127 0.000 1.125 606 L CA 0.276 54.658 54.840 -0.763 0.000 0.835 606 L CB -0.089 41.680 42.059 -0.483 0.000 0.953 606 L HN 0.394 nan 8.230 nan 0.000 0.454 607 V N -5.283 113.870 119.914 -1.269 0.000 3.040 607 V HA 0.461 4.581 4.120 -0.000 0.000 0.312 607 V C -0.433 175.171 176.094 -0.815 0.000 1.115 607 V CA -1.243 60.433 62.300 -1.040 0.000 0.998 607 V CB 1.680 32.965 31.823 -0.897 0.000 1.042 607 V HN -0.132 nan 8.190 nan 0.000 0.433 608 F N 1.471 121.269 119.950 -0.254 0.000 2.450 608 F HA 0.543 5.070 4.527 -0.000 0.000 0.339 608 F C 1.957 177.664 175.800 -0.155 0.000 1.146 608 F CA 0.415 58.387 58.000 -0.047 0.000 1.267 608 F CB 1.388 40.392 39.000 0.006 0.000 1.178 608 F HN 0.826 nan 8.300 nan 0.000 0.585 609 A N 1.271 124.171 122.820 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 -0.058 0.000 1.172 609 A CA 2.184 54.238 52.037 0.028 0.000 0.645 609 A CB -1.111 17.944 19.000 0.092 0.000 0.813 609 A HN 0.862 nan 8.150 nan 0.000 0.454 610 D N -3.093 117.293 120.400 -0.024 0.000 2.336 610 D HA 0.200 4.840 4.640 -0.000 0.000 0.229 610 D C 0.528 176.803 176.300 -0.042 0.000 1.061 610 D CA 0.013 53.975 54.000 -0.065 0.000 0.875 610 D CB -0.070 40.698 40.800 -0.054 0.000 0.904 610 D HN 0.185 nan 8.370 nan 0.000 0.525 611 R N -0.797 119.671 120.500 -0.053 0.000 3.527 611 R HA -0.118 4.222 4.340 -0.000 0.000 0.288 611 R C -0.620 175.657 176.300 -0.039 0.000 1.146 611 R CA 1.025 57.069 56.100 -0.093 0.000 0.778 611 R CB -3.268 27.013 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 -2.452 59.738 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 -0.081 62.998 63.100 -0.035 0.000 0.771 613 P CB 0.237 31.928 31.700 -0.016 0.000 0.858 614 H N 2.948 121.805 119.070 -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 53.747 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 1.244 178.539 177.300 -0.007 0.000 1.150 615 P CA 1.275 64.363 63.100 -0.020 0.000 0.814 615 P CB -0.036 31.649 31.700 -0.026 0.000 0.787 616 A N 0.044 122.861 122.820 -0.006 0.000 1.986 616 A HA -0.217 4.103 4.320 -0.000 0.000 0.220 616 A C 2.119 179.645 177.584 -0.096 0.000 1.171 616 A CA 1.542 53.540 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 -0.041 121.139 121.223 -0.071 0.000 2.137 617 L HA -0.189 4.151 4.340 -0.000 0.000 0.213 617 L C 2.437 179.333 176.870 0.043 0.000 1.085 617 L CA 2.742 57.568 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 -1.521 113.065 114.554 0.054 0.000 2.812 618 T HA -0.162 4.188 4.350 -0.000 0.000 0.264 618 T C 1.697 176.490 174.700 0.155 0.000 1.042 618 T CA 1.201 63.386 62.100 0.142 0.000 1.140 618 T CB -0.158 68.778 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 -0.101 4.249 4.350 -0.000 0.000 0.194 619 E C 2.229 178.836 176.600 0.011 0.000 0.994 619 E CA 1.404 57.848 56.400 0.074 0.000 0.801 619 E CB -0.535 29.176 29.700 0.017 0.000 0.743 619 E HN 0.447 nan 8.360 nan 0.000 0.453 620 A N 0.907 123.623 122.820 -0.174 0.000 1.877 620 A HA -0.250 4.070 4.320 -0.000 0.000 0.216 620 A C 2.178 179.661 177.584 -0.169 0.000 1.186 620 A CA 2.045 53.931 52.037 -0.252 0.000 0.620 620 A CB -0.699 18.133 19.000 -0.280 0.000 0.822 620 A HN 0.290 nan 8.150 nan 0.000 0.443 621 K N -1.248 119.127 120.400 -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 -0.352 32.272 32.500 0.206 0.000 0.713 621 K HN 0.659 nan 8.250 nan 0.000 0.444 622 H N 0.311 119.219 119.070 -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 29.440 29.762 -0.557 0.000 1.385 622 H HN 0.236 nan 8.280 nan 0.000 0.504 623 Q N 0.235 119.760 119.800 -0.459 0.000 2.291 623 Q HA -0.106 4.234 4.340 -0.000 0.000 0.206 623 Q C 1.654 177.115 176.000 -0.899 0.000 0.976 623 Q CA 1.241 56.683 55.803 -0.601 0.000 0.875 623 Q CB 0.015 28.512 28.738 -0.402 0.000 0.927 623 Q HN 0.731 nan 8.270 nan 0.000 0.450 624 Q N 0.753 120.020 119.800 -0.890 0.000 2.360 624 Q HA 0.027 4.367 4.340 -0.000 0.000 0.202 624 Q C 0.122 175.573 176.000 -0.915 0.000 0.915 624 Q CA -0.243 54.904 55.803 -1.092 0.000 0.943 624 Q CB 0.231 28.354 28.738 -1.025 0.000 1.064 624 Q HN 0.456 nan 8.270 nan 0.000 0.511 625 Q N -0.412 118.992 119.800 -0.660 0.000 2.428 625 Q HA -0.038 4.302 4.340 -0.000 0.000 0.276 625 Q C -0.269 175.331 176.000 -0.667 0.000 1.059 625 Q CA 0.322 55.843 55.803 -0.470 0.000 0.923 625 Q CB 0.322 28.933 28.738 -0.212 0.000 1.283 625 Q HN 0.167 nan 8.270 nan 0.000 0.447 626 F N -0.072 119.623 119.950 -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 0.388 38.571 39.000 -1.362 0.000 1.107 626 F HN 0.352 nan 8.300 nan 0.000 0.577 627 F N 0.211 120.069 119.950 -0.153 0.000 2.495 627 F HA 0.488 5.015 4.527 -0.000 0.000 0.327 627 F C -0.087 175.373 175.800 -0.566 0.000 1.103 627 F CA -1.037 56.777 58.000 -0.309 0.000 0.949 627 F CB 1.277 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 3.136 122.664 119.800 -0.453 0.000 2.365 628 Q HA 0.525 4.865 4.340 -0.000 0.000 0.269 628 Q C -1.431 174.224 176.000 -0.575 0.000 1.061 628 Q CA -0.662 54.875 55.803 -0.443 0.000 0.816 628 Q CB 3.047 31.675 28.738 -0.182 0.000 1.325 628 Q HN 0.539 nan 8.270 nan 0.000 0.446 629 F N 0.345 120.414 119.950 0.197 0.000 2.522 629 F HA 0.601 5.128 4.527 -0.000 0.000 0.324 629 F C 0.496 176.520 175.800 0.374 0.000 1.077 629 F CA -0.852 57.337 58.000 0.316 0.000 0.944 629 F CB 1.987 41.285 39.000 0.497 0.000 1.175 629 F HN 0.101 nan 8.300 nan 0.000 0.468 630 R N 1.840 122.654 120.500 0.524 0.000 2.628 630 R HA 0.621 4.961 4.340 -0.000 0.000 0.288 630 R C -1.986 174.397 176.300 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 33.059 30.300 0.179 0.000 1.188 630 R HN 0.610 nan 8.270 nan 0.000 0.450 631 L N 1.508 122.704 121.223 -0.044 0.000 2.313 631 L HA 0.476 4.816 4.340 -0.000 0.000 0.283 631 L C -0.979 175.742 176.870 -0.249 0.000 1.013 631 L CA 0.152 54.731 54.840 -0.435 0.000 0.816 631 L CB 1.950 43.279 42.059 -1.216 0.000 1.236 631 L HN 0.468 nan 8.230 nan 0.000 0.419 632 S N 3.904 119.481 115.700 -0.205 0.000 2.774 632 S HA 0.696 5.166 4.470 -0.000 0.000 0.297 632 S C 0.375 174.890 174.600 -0.141 0.000 1.143 632 S CA 0.225 58.344 58.200 -0.135 0.000 1.090 632 S CB 0.222 63.379 63.200 -0.073 0.000 1.019 632 S HN 1.475 nan 8.310 nan 0.000 0.482 633 G N 4.248 112.962 108.800 -0.142 0.000 2.574 633 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.301 633 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.301 633 G C 0.382 175.181 174.900 -0.168 0.000 1.166 633 G CA 0.588 45.610 45.100 -0.130 0.000 0.971 633 G HN 0.645 nan 8.290 nan 0.000 0.542 634 Q N 1.242 120.951 119.800 -0.152 0.000 2.198 634 Q HA 0.239 4.579 4.340 -0.000 0.000 0.209 634 Q C -0.067 175.815 176.000 -0.197 0.000 0.848 634 Q CA 0.608 56.301 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 0.748 115.196 114.554 -0.177 0.000 2.797 635 T HA 0.522 4.872 4.350 -0.000 0.000 0.279 635 T C 0.023 174.624 174.700 -0.165 0.000 0.991 635 T CA -0.400 61.611 62.100 -0.148 0.000 0.979 635 T CB 1.572 70.385 68.868 -0.092 0.000 0.943 635 T HN 0.034 nan 8.240 nan 0.000 0.444 636 I N 2.402 122.897 120.570 -0.125 0.000 2.359 636 I HA 0.350 4.520 4.170 -0.000 0.000 0.294 636 I C 0.447 176.596 176.117 0.053 0.000 0.987 636 I CA -0.716 60.547 61.300 -0.062 0.000 1.225 636 I CB 1.539 39.531 38.000 -0.015 0.000 1.366 636 I HN 0.632 nan 8.210 nan 0.000 0.466 637 E N 6.381 126.643 120.200 0.103 0.000 2.134 637 E HA 0.476 4.826 4.350 -0.000 0.000 0.278 637 E C -1.554 175.157 176.600 0.185 0.000 0.959 637 E CA -0.579 55.892 56.400 0.117 0.000 0.783 637 E CB 1.617 31.365 29.700 0.079 0.000 1.095 637 E HN 0.367 nan 8.360 nan 0.000 0.399 638 V N 3.801 123.801 119.914 0.144 0.000 2.513 638 V HA 0.411 4.531 4.120 -0.000 0.000 0.299 638 V C -0.116 176.003 176.094 0.041 0.000 1.035 638 V CA -0.620 61.734 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 2.676 117.210 114.554 -0.033 0.000 2.848 639 T HA 0.374 4.724 4.350 -0.000 0.000 0.285 639 T C -0.314 174.378 174.700 -0.013 0.000 0.995 639 T CA -0.349 61.742 62.100 -0.015 0.000 0.970 639 T CB 1.646 70.486 68.868 -0.047 0.000 0.976 639 T HN 0.677 nan 8.240 nan 0.000 0.441 640 S N 1.592 117.292 115.700 0.000 0.000 2.480 640 S HA 0.261 4.731 4.470 -0.000 0.000 0.286 640 S C 0.618 175.108 174.600 -0.184 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 3.214 123.204 120.200 -0.349 0.000 2.451 641 E HA 0.100 4.450 4.350 -0.000 0.000 0.194 641 E C -0.904 175.532 176.600 -0.273 0.000 1.027 641 E CA -0.075 56.153 56.400 -0.287 0.000 0.914 641 E CB 0.353 29.858 29.700 -0.324 0.000 1.054 641 E HN 0.673 nan 8.360 nan 0.000 0.461 642 Y N 0.449 120.651 120.300 -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 -0.195 0.000 1.265 642 Y CB 0.977 39.301 38.460 -0.227 0.000 1.218 642 Y HN -0.023 nan 8.280 nan 0.000 0.508 643 L N 1.704 122.784 121.223 -0.238 0.000 2.298 643 L HA 0.019 4.359 4.340 -0.000 0.000 0.209 643 L C 0.669 177.088 176.870 -0.753 0.000 1.084 643 L CA 0.932 55.361 54.840 -0.684 0.000 0.816 643 L CB 0.005 41.209 42.059 -1.425 0.000 0.967 643 L HN 0.679 nan 8.230 nan 0.000 0.460 644 F N -0.606 119.364 119.950 0.033 0.000 2.747 644 F HA 0.197 4.724 4.527 -0.000 0.000 0.305 644 F C 1.265 177.044 175.800 -0.034 0.000 1.065 644 F CA -0.793 57.197 58.000 -0.018 0.000 1.230 644 F CB 0.363 39.329 39.000 -0.057 0.000 1.027 644 F HN -0.110 nan 8.300 nan 0.000 0.607 645 R N -0.223 120.310 120.500 0.055 0.000 2.674 645 R HA 0.521 4.861 4.340 -0.000 0.000 0.266 645 R C -1.113 175.172 176.300 -0.024 0.000 1.016 645 R CA -0.727 55.344 56.100 -0.048 0.000 1.062 645 R CB 0.773 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 -0.159 118.878 119.070 -0.055 0.000 2.483 646 H HA 0.171 4.727 4.556 -0.000 0.000 0.338 646 H C -0.167 175.169 175.328 0.014 0.000 1.152 646 H CA -0.320 55.734 56.048 0.010 0.000 1.264 646 H CB 1.412 31.189 29.762 0.024 0.000 1.510 646 H HN 0.747 nan 8.280 nan 0.000 0.530 647 S N 2.170 117.736 115.700 -0.223 0.000 4.053 647 S HA -0.052 4.418 4.470 -0.000 0.000 0.184 647 S C 0.204 174.919 174.600 0.192 0.000 1.324 647 S CA -0.105 58.146 58.200 0.084 0.000 0.956 647 S CB -0.865 62.387 63.200 0.087 0.000 1.503 647 S HN 0.732 nan 8.310 nan 0.000 0.440 648 D N 0.556 121.074 120.400 0.197 0.000 2.328 648 D HA 0.011 4.651 4.640 -0.000 0.000 0.226 648 D C 0.433 176.792 176.300 0.099 0.000 1.066 648 D CA -0.119 53.981 54.000 0.167 0.000 0.861 648 D CB -0.253 40.626 40.800 0.132 0.000 0.912 648 D HN 0.490 nan 8.370 nan 0.000 0.521 649 N N 0.007 118.766 118.700 0.098 0.000 2.622 649 N HA 0.125 4.865 4.740 -0.000 0.000 0.293 649 N C -1.580 173.986 175.510 0.094 0.000 1.788 649 N CA -0.246 52.851 53.050 0.079 0.000 0.860 649 N CB 0.275 38.796 38.487 0.057 0.000 1.388 649 N HN -0.068 nan 8.380 nan 0.000 0.496 650 E N 0.090 120.342 120.200 0.086 0.000 2.246 650 E HA 0.447 4.797 4.350 -0.000 0.000 0.266 650 E C -1.574 175.055 176.600 0.048 0.000 0.880 650 E CA -0.598 55.837 56.400 0.057 0.000 0.762 650 E CB 1.955 31.657 29.700 0.003 0.000 1.180 650 E HN 0.076 nan 8.360 nan 0.000 0.416 651 L N 3.429 124.681 121.223 0.049 0.000 2.341 651 L HA 0.541 4.881 4.340 -0.000 0.000 0.278 651 L C -1.511 175.422 176.870 0.106 0.000 1.005 651 L CA -0.922 53.973 54.840 0.092 0.000 0.818 651 L CB 1.543 43.672 42.059 0.116 0.000 1.259 651 L HN 0.595 nan 8.230 nan 0.000 0.418 652 L N 5.127 126.457 121.223 0.178 0.000 2.262 652 L HA 0.446 4.786 4.340 -0.000 0.000 0.288 652 L C -0.666 176.420 176.870 0.360 0.000 1.035 652 L CA 0.077 55.052 54.840 0.224 0.000 0.820 652 L CB 0.380 42.567 42.059 0.212 0.000 1.204 652 L HN 0.569 nan 8.230 nan 0.000 0.424 653 H N 5.751 124.881 119.070 0.100 0.000 2.467 653 H HA 0.381 4.937 4.556 -0.000 0.000 0.326 653 H C -1.098 174.305 175.328 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 3.431 124.799 121.300 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 55.963 57.345 0.094 0.000 1.111 654 W CB 1.576 31.083 29.460 0.078 0.000 1.449 654 W HN 0.605 nan 8.180 nan 0.000 0.572 655 M N 1.190 121.144 119.600 0.591 0.000 2.569 655 M HA 0.529 5.009 4.480 -0.000 0.000 0.287 655 M C -2.642 173.904 176.300 0.410 0.000 1.130 655 M CA -0.521 54.988 55.300 0.348 0.000 0.885 655 M CB 1.768 34.374 32.600 0.009 0.000 1.759 655 M HN 0.134 nan 8.290 nan 0.000 0.515 656 V N 2.485 122.617 119.914 0.363 0.000 2.495 656 V HA 1.039 5.159 4.120 -0.000 0.000 0.298 656 V C -0.188 176.022 176.094 0.193 0.000 1.031 656 V CA 0.020 62.495 62.300 0.291 0.000 0.871 656 V CB 1.173 33.172 31.823 0.293 0.000 0.988 656 V HN 1.135 nan 8.190 nan 0.000 0.432 657 A N 4.168 127.113 122.820 0.209 0.000 2.539 657 A HA 0.899 5.219 4.320 -0.000 0.000 0.296 657 A C -1.648 176.069 177.584 0.221 0.000 1.073 657 A CA -0.614 51.518 52.037 0.158 0.000 0.700 657 A CB 1.831 20.877 19.000 0.078 0.000 1.296 657 A HN 0.842 nan 8.150 nan 0.000 0.405 658 L N 1.253 122.571 121.223 0.159 0.000 2.294 658 L HA 0.580 4.920 4.340 -0.000 0.000 0.283 658 L C -0.460 176.517 176.870 0.177 0.000 1.015 658 L CA 0.284 55.233 54.840 0.181 0.000 0.831 658 L CB 0.503 42.632 42.059 0.115 0.000 1.217 658 L HN 0.769 nan 8.230 nan 0.000 0.420 659 D N 4.661 125.237 120.400 0.293 0.000 2.733 659 D HA -0.211 4.429 4.640 -0.000 0.000 0.232 659 D C 1.172 177.504 176.300 0.053 0.000 1.161 659 D CA 1.656 55.807 54.000 0.252 0.000 0.653 659 D CB -0.992 39.923 40.800 0.191 0.000 1.052 659 D HN 1.179 nan 8.370 nan 0.000 0.424 660 G N -1.379 107.414 108.800 -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 0.240 45.231 45.100 -0.182 0.000 0.622 660 G HN 0.429 nan 8.290 nan 0.000 0.507 661 K N 2.436 122.815 120.400 -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 -1.889 54.383 56.287 -0.026 0.000 0.913 661 K CB 1.562 34.059 32.500 -0.005 0.000 1.067 661 K HN 0.131 nan 8.250 nan 0.000 0.479 662 P HA 0.078 nan 4.420 nan 0.000 0.276 662 P C -0.218 177.088 177.300 0.010 0.000 1.243 662 P CA -0.072 63.022 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 1.445 122.695 121.223 0.045 0.000 2.642 663 L HA 0.524 4.864 4.340 -0.000 0.000 0.233 663 L C 0.863 177.770 176.870 0.062 0.000 1.077 663 L CA 0.210 55.082 54.840 0.053 0.000 0.879 663 L CB 0.210 42.317 42.059 0.080 0.000 1.151 663 L HN 0.368 nan 8.230 nan 0.000 0.495 664 A N 0.162 123.031 122.820 0.081 0.000 2.594 664 A HA 0.619 4.939 4.320 -0.000 0.000 0.296 664 A C -0.802 176.734 177.584 -0.079 0.000 1.056 664 A CA -0.120 51.966 52.037 0.081 0.000 0.693 664 A CB 1.556 20.727 19.000 0.286 0.000 1.278 664 A HN 0.051 nan 8.150 nan 0.000 0.408 665 S N 0.263 115.684 115.700 -0.466 0.000 2.588 665 S HA 0.968 5.438 4.470 -0.000 0.000 0.275 665 S C -0.159 173.466 174.600 -1.624 0.000 1.130 665 S CA -0.014 57.547 58.200 -1.065 0.000 0.855 665 S CB 1.613 64.482 63.200 -0.552 0.000 1.116 665 S HN 2.460 nan 8.310 nan 0.000 0.472 666 G N -0.158 107.248 108.800 -2.323 0.000 2.687 666 G HA2 0.671 4.631 3.960 -0.000 0.000 0.291 666 G HA3 0.671 4.631 3.960 -0.000 0.000 0.291 666 G C -2.020 172.346 174.900 -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 0.570 4.920 4.350 -0.000 0.000 0.277 667 E C -1.631 175.041 176.600 0.119 0.000 0.898 667 E CA -0.506 55.837 56.400 -0.096 0.000 0.764 667 E CB 2.901 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 4.772 124.802 119.914 0.194 0.000 2.777 668 V HA 0.464 4.584 4.120 -0.000 0.000 0.306 668 V C -2.486 173.700 176.094 0.153 0.000 1.112 668 V CA -1.682 60.722 62.300 0.174 0.000 0.917 668 V CB 2.169 34.111 31.823 0.198 0.000 1.018 668 V HN 0.576 nan 8.190 nan 0.000 0.426 669 P HA 0.338 nan 4.420 nan 0.000 0.280 669 P C -0.838 176.520 177.300 0.097 0.000 1.244 669 P CA -0.188 62.974 63.100 0.103 0.000 0.784 669 P CB 1.048 32.803 31.700 0.091 0.000 0.913 670 L N 2.829 124.098 121.223 0.077 0.000 2.350 670 L HA 0.353 4.693 4.340 -0.000 0.000 0.275 670 L C 0.475 177.404 176.870 0.099 0.000 1.099 670 L CA 0.198 55.073 54.840 0.059 0.000 0.808 670 L CB 0.627 42.669 42.059 -0.029 0.000 1.149 670 L HN 0.361 nan 8.230 nan 0.000 0.442 671 D N 2.305 122.770 120.400 0.108 0.000 2.586 671 D HA 0.382 5.022 4.640 -0.000 0.000 0.254 671 D C -1.337 175.007 176.300 0.072 0.000 1.248 671 D CA -0.119 54.005 54.000 0.205 0.000 0.843 671 D CB 0.943 41.880 40.800 0.228 0.000 1.332 671 D HN 0.100 nan 8.370 nan 0.000 0.523 672 V N 0.521 120.303 119.914 -0.221 0.000 2.656 672 V HA 0.931 5.051 4.120 -0.000 0.000 0.307 672 V C 0.588 176.378 176.094 -0.507 0.000 1.051 672 V CA -1.337 60.850 62.300 -0.188 0.000 0.893 672 V CB 1.458 33.297 31.823 0.027 0.000 0.999 672 V HN 0.454 nan 8.190 nan 0.000 0.426 673 A N 4.967 127.691 122.820 -0.160 0.000 2.322 673 A HA 0.813 5.133 4.320 -0.000 0.000 0.269 673 A C -2.404 175.176 177.584 -0.008 0.000 1.094 673 A CA -1.726 50.293 52.037 -0.031 0.000 0.807 673 A CB -0.037 19.035 19.000 0.120 0.000 1.047 673 A HN 0.724 nan 8.150 nan 0.000 0.487 674 P HA -0.033 nan 4.420 nan 0.000 0.261 674 P C -0.429 176.864 177.300 -0.012 0.000 1.173 674 P CA 0.733 63.845 63.100 0.020 0.000 0.760 674 P CB 0.210 31.908 31.700 -0.003 0.000 0.783 675 Q N -1.222 118.557 119.800 -0.035 0.000 2.406 675 Q HA -0.185 4.155 4.340 -0.000 0.000 0.236 675 Q C 0.695 176.684 176.000 -0.018 0.000 0.799 675 Q CA 1.490 57.265 55.803 -0.047 0.000 1.286 675 Q CB -2.472 26.230 28.738 -0.060 0.000 1.615 675 Q HN 0.757 nan 8.270 nan 0.000 0.621 676 G N 0.230 109.032 108.800 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 -0.408 120.013 120.400 0.035 0.000 2.267 677 K HA 0.468 4.788 4.320 -0.000 0.000 0.246 677 K C -0.868 175.766 176.600 0.056 0.000 0.954 677 K CA -0.570 55.743 56.287 0.044 0.000 0.824 677 K CB 2.371 34.892 32.500 0.034 0.000 1.167 677 K HN 0.555 nan 8.250 nan 0.000 0.431 678 Q N 3.171 123.012 119.800 0.068 0.000 2.305 678 Q HA 0.353 4.693 4.340 -0.000 0.000 0.271 678 Q C -1.596 174.447 176.000 0.073 0.000 1.046 678 Q CA -0.638 55.208 55.803 0.073 0.000 0.798 678 Q CB 1.353 30.140 28.738 0.082 0.000 1.286 678 Q HN 0.532 nan 8.270 nan 0.000 0.435 679 L N 5.058 126.315 121.223 0.056 0.000 2.289 679 L HA 0.557 4.897 4.340 -0.000 0.000 0.285 679 L C -0.336 176.556 176.870 0.036 0.000 1.049 679 L CA -0.760 54.105 54.840 0.041 0.000 0.804 679 L CB 1.183 43.255 42.059 0.022 0.000 1.195 679 L HN 0.627 nan 8.230 nan 0.000 0.428 680 I N 2.814 123.397 120.570 0.022 0.000 2.439 680 I HA 0.249 4.419 4.170 -0.000 0.000 0.285 680 I C -0.252 175.832 176.117 -0.056 0.000 1.021 680 I CA -0.700 60.601 61.300 0.002 0.000 1.091 680 I CB 2.106 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 -0.665 175.858 176.600 -0.128 0.000 1.046 681 E CA -0.315 56.038 56.400 -0.078 0.000 0.857 681 E CB 1.428 31.102 29.700 -0.043 0.000 1.055 681 E HN 0.475 nan 8.360 nan 0.000 0.409 682 L N 6.004 127.117 121.223 -0.184 0.000 2.325 682 L HA 0.362 4.702 4.340 -0.000 0.000 0.279 682 L C -1.918 174.844 176.870 -0.180 0.000 1.054 682 L CA -1.947 52.731 54.840 -0.271 0.000 0.804 682 L CB 1.336 43.152 42.059 -0.405 0.000 1.200 682 L HN 0.238 nan 8.230 nan 0.000 0.436 683 P HA 0.030 nan 4.420 nan 0.000 0.272 683 P C -0.477 176.774 177.300 -0.083 0.000 1.223 683 P CA -0.432 62.626 63.100 -0.071 0.000 0.784 683 P CB 0.509 32.214 31.700 0.008 0.000 0.923 684 E N 1.433 121.607 120.200 -0.043 0.000 2.652 684 E HA -0.043 4.307 4.350 -0.000 0.000 0.255 684 E C -0.157 176.427 176.600 -0.027 0.000 0.952 684 E CA 0.618 56.995 56.400 -0.038 0.000 0.947 684 E CB 0.110 29.800 29.700 -0.017 0.000 0.912 684 E HN 0.342 nan 8.360 nan 0.000 0.489 685 L N 6.298 127.494 121.223 -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 0.678 42.704 42.059 -0.055 0.000 1.174 685 L HN 0.324 nan 8.230 nan 0.000 0.443 686 P HA 0.044 nan 4.420 nan 0.000 0.268 686 P C -0.887 176.426 177.300 0.022 0.000 1.204 686 P CA -0.217 62.903 63.100 0.034 0.000 0.768 686 P CB 0.610 32.344 31.700 0.057 0.000 0.842 687 Q N 2.488 122.298 119.800 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 -0.439 28.300 28.738 0.002 0.000 1.351 687 Q HN 0.401 nan 8.270 nan 0.000 0.411 688 P HA -0.158 nan 4.420 nan 0.000 0.268 688 P C 0.102 177.415 177.300 0.022 0.000 1.171 688 P CA 0.414 63.530 63.100 0.027 0.000 0.761 688 P CB 1.162 32.884 31.700 0.037 0.000 0.786 689 E N 0.537 120.751 120.200 0.022 0.000 2.127 689 E HA 0.007 4.357 4.350 -0.000 0.000 0.191 689 E C 0.611 177.225 176.600 0.023 0.000 0.964 689 E CA 0.480 56.891 56.400 0.019 0.000 0.832 689 E CB -0.441 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 0.157 4.627 4.470 -0.000 0.000 0.280 690 S C 0.403 175.026 174.600 0.039 0.000 1.335 690 S CA 0.160 58.380 58.200 0.034 0.000 1.025 690 S CB 0.521 63.743 63.200 0.037 0.000 0.836 690 S HN 0.291 nan 8.310 nan 0.000 0.523 691 A N 1.003 123.849 122.820 0.044 0.000 2.302 691 A HA 0.818 5.138 4.320 -0.000 0.000 0.285 691 A C 0.810 178.433 177.584 0.065 0.000 1.105 691 A CA 0.177 52.243 52.037 0.049 0.000 0.816 691 A CB 0.223 19.253 19.000 0.049 0.000 1.067 691 A HN 1.771 nan 8.150 nan 0.000 0.489 692 G N -0.035 108.806 108.800 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 -1.381 173.568 174.900 0.083 0.000 1.302 692 G CA -0.880 44.279 45.100 0.098 0.000 0.936 692 G HN 0.839 nan 8.290 nan 0.000 0.513 693 Q N -0.575 119.310 119.800 0.142 0.000 2.293 693 Q HA 0.615 4.955 4.340 -0.000 0.000 0.261 693 Q C -0.921 175.178 176.000 0.165 0.000 0.960 693 Q CA -0.762 55.091 55.803 0.084 0.000 0.882 693 Q CB 2.403 31.242 28.738 0.169 0.000 1.275 693 Q HN 0.463 nan 8.270 nan 0.000 0.445 694 L N 3.624 124.820 121.223 -0.046 0.000 2.272 694 L HA 0.484 4.824 4.340 -0.000 0.000 0.289 694 L C -1.791 175.028 176.870 -0.084 0.000 1.032 694 L CA 0.015 54.876 54.840 0.035 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 5.426 126.796 121.300 0.117 0.000 2.819 695 W HA 0.568 5.228 4.660 -0.000 0.000 0.337 695 W C -1.054 175.576 176.519 0.185 0.000 1.077 695 W CA -0.703 56.735 57.345 0.155 0.000 1.226 695 W CB 1.702 31.282 29.460 0.199 0.000 1.419 695 W HN 0.279 nan 8.180 nan 0.000 0.502 696 L N 3.045 124.569 121.223 0.501 0.000 2.295 696 L HA 0.818 5.158 4.340 -0.000 0.000 0.285 696 L C -0.366 176.819 176.870 0.525 0.000 1.035 696 L CA 0.143 55.253 54.840 0.449 0.000 0.806 696 L CB 1.316 43.578 42.059 0.339 0.000 1.214 696 L HN 0.372 nan 8.230 nan 0.000 0.426 697 T N 4.790 119.596 114.554 0.419 0.000 2.886 697 T HA 0.663 5.013 4.350 -0.000 0.000 0.292 697 T C -0.879 174.008 174.700 0.311 0.000 1.012 697 T CA -0.479 61.818 62.100 0.328 0.000 0.982 697 T CB 1.642 70.636 68.868 0.210 0.000 1.018 697 T HN 0.619 nan 8.240 nan 0.000 0.451 698 V N 1.257 121.307 119.914 0.227 0.000 2.680 698 V HA 0.864 4.984 4.120 -0.000 0.000 0.309 698 V C -0.772 175.387 176.094 0.109 0.000 1.052 698 V CA -1.119 61.277 62.300 0.160 0.000 0.908 698 V CB 1.903 33.745 31.823 0.030 0.000 1.001 698 V HN 0.841 nan 8.190 nan 0.000 0.431 699 R N 2.199 122.785 120.500 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 -0.835 55.360 56.100 0.158 0.000 0.908 699 R CB 2.759 33.103 30.300 0.074 0.000 1.213 699 R HN 0.657 nan 8.270 nan 0.000 0.468 700 V N 2.870 122.886 119.914 0.169 0.000 2.384 700 V HA 0.433 4.553 4.120 -0.000 0.000 0.287 700 V C -0.457 175.671 176.094 0.056 0.000 1.020 700 V CA -0.658 61.710 62.300 0.115 0.000 0.850 700 V CB 1.736 33.644 31.823 0.141 0.000 0.987 700 V HN 0.442 nan 8.190 nan 0.000 0.436 701 V N 4.468 124.365 119.914 -0.029 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 61.421 62.300 -0.053 0.000 0.908 701 V CB 1.988 33.678 31.823 -0.222 0.000 1.001 701 V HN 0.867 nan 8.190 nan 0.000 0.431 702 Q N 4.134 123.973 119.800 0.066 0.000 2.465 702 Q HA 0.277 4.617 4.340 -0.000 0.000 0.237 702 Q C -1.837 174.184 176.000 0.035 0.000 1.051 702 Q CA -1.810 54.041 55.803 0.079 0.000 0.874 702 Q CB 1.900 30.713 28.738 0.125 0.000 1.207 702 Q HN 0.493 nan 8.270 nan 0.000 0.508 703 P HA -0.211 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 64.506 63.100 0.022 0.000 0.889 703 P CB 0.285 32.006 31.700 0.034 0.000 0.790 704 N N -0.853 117.845 118.700 -0.005 0.000 2.492 704 N HA 0.442 5.182 4.740 -0.000 0.000 0.289 704 N C -0.272 175.195 175.510 -0.072 0.000 1.133 704 N CA -0.645 52.388 53.050 -0.028 0.000 0.961 704 N CB 0.678 39.151 38.487 -0.022 0.000 1.186 704 N HN 0.015 nan 8.380 nan 0.000 0.493 705 A N 0.415 123.182 122.820 -0.088 0.000 2.346 705 A HA 0.547 4.867 4.320 -0.000 0.000 0.252 705 A C 0.554 178.011 177.584 -0.213 0.000 1.089 705 A CA -0.141 51.802 52.037 -0.157 0.000 0.797 705 A CB 0.007 18.933 19.000 -0.123 0.000 1.047 705 A HN 0.735 nan 8.150 nan 0.000 0.494 706 T N -3.529 110.800 114.554 -0.375 0.000 2.773 706 T HA 0.619 4.969 4.350 -0.000 0.000 0.278 706 T C 0.896 175.383 174.700 -0.356 0.000 1.011 706 T CA 0.056 61.899 62.100 -0.428 0.000 1.014 706 T CB 1.117 69.447 68.868 -0.897 0.000 1.293 706 T HN 1.366 nan 8.240 nan 0.000 0.554 707 A N -0.165 122.538 122.820 -0.195 0.000 2.121 707 A HA 0.137 4.457 4.320 -0.000 0.000 0.218 707 A C 1.484 179.166 177.584 0.163 0.000 1.154 707 A CA 0.890 52.964 52.037 0.062 0.000 0.679 707 A CB -0.827 18.316 19.000 0.239 0.000 0.795 707 A HN 0.906 nan 8.150 nan 0.000 0.458 708 W N -0.974 120.372 121.300 0.077 0.000 2.518 708 W HA 0.430 5.090 4.660 -0.000 0.000 0.352 708 W C -0.186 176.292 176.519 -0.068 0.000 0.952 708 W CA 0.404 57.756 57.345 0.012 0.000 1.624 708 W CB -1.170 28.283 29.460 -0.011 0.000 1.135 708 W HN 0.404 nan 8.180 nan 0.000 0.540 709 S N 0.231 115.435 115.700 -0.827 0.000 2.556 709 S HA 0.450 4.920 4.470 -0.000 0.000 0.271 709 S C -0.560 173.774 174.600 -0.445 0.000 1.135 709 S CA -0.616 57.134 58.200 -0.751 0.000 0.858 709 S CB 2.815 65.175 63.200 -1.399 0.000 1.114 709 S HN 0.063 nan 8.310 nan 0.000 0.468 710 E N 0.872 120.929 120.200 -0.238 0.000 2.342 710 E HA 0.533 4.883 4.350 -0.000 0.000 0.257 710 E C 0.398 176.950 176.600 -0.079 0.000 1.150 710 E CA -0.561 55.773 56.400 -0.111 0.000 0.926 710 E CB 1.136 30.823 29.700 -0.023 0.000 1.074 710 E HN 0.881 nan 8.360 nan 0.000 0.449 711 A N -0.121 122.671 122.820 -0.047 0.000 2.407 711 A HA 0.443 4.763 4.320 -0.000 0.000 0.248 711 A C 1.006 178.598 177.584 0.012 0.000 1.082 711 A CA 0.556 52.578 52.037 -0.024 0.000 0.785 711 A CB -0.154 18.835 19.000 -0.019 0.000 1.020 711 A HN 0.745 nan 8.150 nan 0.000 0.489 712 G N 0.329 109.142 108.800 0.022 0.000 2.160 712 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.244 712 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.244 712 G C 0.065 174.995 174.900 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 0.086 119.145 119.070 -0.018 0.000 2.652 713 H HA 0.542 5.098 4.556 -0.000 0.000 0.349 713 H C 0.443 175.814 175.328 0.073 0.000 1.099 713 H CA -0.686 55.378 56.048 0.026 0.000 1.417 713 H CB 0.372 30.139 29.762 0.009 0.000 1.457 713 H HN 0.047 nan 8.280 nan 0.000 0.568 714 I N 4.587 124.852 120.570 -0.507 0.000 2.325 714 I HA 0.037 4.207 4.170 -0.000 0.000 0.291 714 I C 1.073 177.038 176.117 -0.254 0.000 1.019 714 I CA -0.027 61.119 61.300 -0.256 0.000 1.302 714 I CB 0.777 38.701 38.000 -0.126 0.000 1.401 714 I HN 0.839 nan 8.210 nan 0.000 0.485 715 S N 3.799 119.567 115.700 0.113 0.000 2.526 715 S HA 0.663 5.133 4.470 -0.000 0.000 0.220 715 S C 0.489 175.344 174.600 0.424 0.000 1.017 715 S CA 0.117 58.514 58.200 0.329 0.000 0.930 715 S CB 0.636 64.140 63.200 0.507 0.000 0.856 715 S HN 0.753 nan 8.310 nan 0.000 0.497 716 A N 0.609 123.715 122.820 0.477 0.000 2.605 716 A HA 0.675 4.995 4.320 -0.000 0.000 0.294 716 A C -1.732 176.216 177.584 0.606 0.000 1.062 716 A CA -0.903 51.405 52.037 0.452 0.000 0.682 716 A CB 0.440 19.755 19.000 0.526 0.000 1.278 716 A HN 0.918 nan 8.150 nan 0.000 0.410 717 W N -0.010 121.461 121.300 0.285 0.000 3.005 717 W HA 0.809 5.469 4.660 -0.000 0.000 0.343 717 W C -1.183 175.376 176.519 0.067 0.000 1.243 717 W CA -0.644 56.756 57.345 0.091 0.000 1.186 717 W CB 1.203 30.660 29.460 -0.005 0.000 1.453 717 W HN 1.105 nan 8.180 nan 0.000 0.575 718 Q N 1.710 121.567 119.800 0.096 0.000 2.574 718 Q HA 0.302 4.642 4.340 -0.000 0.000 0.265 718 Q C -1.561 174.234 176.000 -0.342 0.000 0.975 718 Q CA -0.575 55.101 55.803 -0.210 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 2.609 122.182 119.800 -0.378 0.000 2.458 719 Q HA 0.758 5.098 4.340 -0.000 0.000 0.282 719 Q C -1.222 174.673 176.000 -0.174 0.000 1.106 719 Q CA -0.664 55.065 55.803 -0.124 0.000 0.814 719 Q CB 2.028 30.877 28.738 0.186 0.000 1.425 719 Q HN 0.633 nan 8.270 nan 0.000 0.437 720 W N 1.200 122.703 121.300 0.339 0.000 3.127 720 W HA 0.436 5.096 4.660 -0.000 0.000 0.330 720 W C -0.609 175.926 176.519 0.026 0.000 1.187 720 W CA -0.800 56.663 57.345 0.197 0.000 1.198 720 W CB 2.214 31.722 29.460 0.080 0.000 1.408 720 W HN 0.680 nan 8.180 nan 0.000 0.529 721 R N 2.601 123.000 120.500 -0.167 0.000 2.202 721 R HA 0.291 4.631 4.340 -0.000 0.000 0.334 721 R C 0.764 176.840 176.300 -0.374 0.000 1.036 721 R CA -0.140 55.452 56.100 -0.846 0.000 0.878 721 R CB 0.610 30.041 30.300 -1.448 0.000 1.067 721 R HN 0.607 nan 8.270 nan 0.000 0.457 722 L N 2.770 123.824 121.223 -0.282 0.000 2.049 722 L HA 0.178 4.518 4.340 -0.000 0.000 0.203 722 L C 0.896 177.666 176.870 -0.168 0.000 1.074 722 L CA 1.019 55.766 54.840 -0.156 0.000 0.749 722 L CB -0.163 41.847 42.059 -0.082 0.000 0.907 722 L HN 0.664 nan 8.230 nan 0.000 0.439 723 A N -0.807 121.896 122.820 -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 0.057 nan 8.150 nan 0.000 0.421 724 E N 0.410 120.553 120.200 -0.095 0.000 2.275 724 E HA 0.425 4.775 4.350 -0.000 0.000 0.270 724 E C -1.676 174.909 176.600 -0.026 0.000 0.882 724 E CA -0.640 55.721 56.400 -0.064 0.000 0.758 724 E CB 1.273 30.932 29.700 -0.068 0.000 1.195 724 E HN 0.544 nan 8.360 nan 0.000 0.419 725 N N 4.596 123.294 118.700 -0.002 0.000 2.564 725 N HA 0.295 5.035 4.740 -0.000 0.000 0.248 725 N C -0.658 174.865 175.510 0.021 0.000 0.986 725 N CA -0.317 52.739 53.050 0.010 0.000 0.921 725 N CB 1.045 39.543 38.487 0.018 0.000 1.136 725 N HN 0.476 nan 8.380 nan 0.000 0.509 726 L N 0.675 121.909 121.223 0.018 0.000 2.456 726 L HA 0.131 4.471 4.340 -0.000 0.000 0.272 726 L C 1.199 178.089 176.870 0.033 0.000 1.189 726 L CA 0.112 54.969 54.840 0.028 0.000 0.846 726 L CB 0.544 42.618 42.059 0.025 0.000 1.111 726 L HN 0.331 nan 8.230 nan 0.000 0.475 727 S N 1.399 117.124 115.700 0.042 0.000 2.465 727 S HA 0.278 4.748 4.470 -0.000 0.000 0.279 727 S C 0.557 175.180 174.600 0.038 0.000 1.201 727 S CA -0.898 57.328 58.200 0.043 0.000 1.053 727 S CB 0.809 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 2.574 122.507 119.914 0.032 0.000 3.376 728 V HA 0.299 4.419 4.120 -0.000 0.000 0.313 728 V C 0.869 176.979 176.094 0.028 0.000 1.393 728 V CA -0.016 62.301 62.300 0.028 0.000 1.125 728 V CB -1.062 30.775 31.823 0.023 0.000 1.037 728 V HN 0.837 nan 8.190 nan 0.000 0.440 729 T N 0.109 114.681 114.554 0.031 0.000 2.902 729 T HA 0.756 5.106 4.350 -0.000 0.000 0.280 729 T C -0.515 174.203 174.700 0.029 0.000 0.992 729 T CA -0.497 61.620 62.100 0.029 0.000 1.015 729 T CB 1.907 70.792 68.868 0.028 0.000 1.044 729 T HN 0.210 nan 8.240 nan 0.000 0.520 730 L N 1.808 123.046 121.223 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 0.529 42.599 42.059 0.017 0.000 1.278 730 L HN 0.593 nan 8.230 nan 0.000 0.431 731 P HA 0.337 nan 4.420 nan 0.000 0.271 731 P C -0.718 176.582 177.300 -0.001 0.000 1.216 731 P CA -0.410 62.697 63.100 0.011 0.000 0.771 731 P CB 0.967 32.673 31.700 0.011 0.000 0.864 732 A N 2.648 125.465 122.820 -0.006 0.000 2.332 732 A HA 0.554 4.874 4.320 -0.000 0.000 0.258 732 A C 0.572 178.123 177.584 -0.055 0.000 1.087 732 A CA -0.194 51.832 52.037 -0.019 0.000 0.802 732 A CB -0.156 18.838 19.000 -0.009 0.000 1.042 732 A HN 0.738 nan 8.150 nan 0.000 0.489 733 A N 1.175 123.954 122.820 -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 0.474 52.439 52.037 -0.119 0.000 0.764 733 A CB -0.423 18.531 19.000 -0.076 0.000 1.002 733 A HN 1.511 nan 8.150 nan 0.000 0.502 734 S N 0.720 116.260 115.700 -0.265 0.000 2.608 734 S HA 0.493 4.963 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 57.268 58.200 -0.344 0.000 1.043 734 S CB 0.830 63.948 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 29.676 29.762 0.011 0.000 1.407 735 H HN 0.775 nan 8.280 nan 0.000 0.564 736 A N 0.952 123.804 122.820 0.054 0.000 2.599 736 A HA 0.619 4.939 4.320 -0.000 0.000 0.290 736 A C -1.062 176.538 177.584 0.028 0.000 1.101 736 A CA -0.777 51.291 52.037 0.051 0.000 0.674 736 A CB 1.472 20.513 19.000 0.068 0.000 1.277 736 A HN 0.215 nan 8.150 nan 0.000 0.419 737 I N -1.554 119.037 120.570 0.036 0.000 2.865 737 I HA 0.789 4.959 4.170 -0.000 0.000 0.302 737 I C -2.875 173.279 176.117 0.062 0.000 1.140 737 I CA -2.581 58.738 61.300 0.032 0.000 1.021 737 I CB 2.402 40.410 38.000 0.013 0.000 1.233 737 I HN 0.392 nan 8.210 nan 0.000 0.427 738 P HA 0.014 nan 4.420 nan 0.000 0.269 738 P C -1.327 176.062 177.300 0.147 0.000 1.211 738 P CA 0.383 63.541 63.100 0.096 0.000 0.781 738 P CB 0.190 31.904 31.700 0.024 0.000 0.877 739 H N 1.903 121.002 119.070 0.048 0.000 2.587 739 H HA 0.370 4.926 4.556 -0.000 0.000 0.325 739 H C -1.015 174.340 175.328 0.045 0.000 1.012 739 H CA -1.110 54.959 56.048 0.036 0.000 1.213 739 H CB 0.954 30.739 29.762 0.038 0.000 1.431 739 H HN 0.202 nan 8.280 nan 0.000 0.492 740 L N 5.071 126.171 121.223 -0.206 0.000 2.326 740 L HA 0.316 4.655 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 0.276 54.971 54.840 -0.242 0.000 0.810 740 L CB 1.387 43.370 42.059 -0.127 0.000 1.153 740 L HN 0.644 nan 8.230 nan 0.000 0.439 741 T N 3.027 117.468 114.554 -0.187 0.000 2.921 741 T HA 0.427 4.777 4.350 -0.000 0.000 0.297 741 T C -0.634 174.114 174.700 0.081 0.000 1.013 741 T CA -0.459 61.586 62.100 -0.091 0.000 0.990 741 T CB 1.389 70.186 68.868 -0.118 0.000 1.023 741 T HN 0.610 nan 8.240 nan 0.000 0.447 742 T N 2.592 117.213 114.554 0.112 0.000 2.821 742 T HA 0.487 4.837 4.350 -0.000 0.000 0.307 742 T C 0.606 175.368 174.700 0.104 0.000 1.034 742 T CA -0.478 61.746 62.100 0.208 0.000 0.953 742 T CB 1.030 70.049 68.868 0.252 0.000 0.968 742 T HN 0.636 nan 8.240 nan 0.000 0.462 743 S N 2.160 117.896 115.700 0.059 0.000 2.598 743 S HA 0.251 4.721 4.470 -0.000 0.000 0.267 743 S C 1.291 175.870 174.600 -0.036 0.000 1.189 743 S CA -0.332 57.872 58.200 0.006 0.000 1.010 743 S CB 0.993 64.191 63.200 -0.004 0.000 1.084 743 S HN 0.779 nan 8.310 nan 0.000 0.541 744 E N -0.989 119.182 120.200 -0.048 0.000 2.364 744 E HA 0.065 4.415 4.350 -0.000 0.000 0.196 744 E C 1.397 177.929 176.600 -0.114 0.000 0.990 744 E CA 0.122 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 1.251 120.791 119.600 -0.101 0.000 2.501 745 M HA 0.161 4.641 4.480 -0.000 0.000 0.261 745 M C -0.317 175.893 176.300 -0.150 0.000 1.129 745 M CA 0.789 56.030 55.300 -0.097 0.000 1.126 745 M CB -0.254 32.321 32.600 -0.042 0.000 1.359 745 M HN 0.112 nan 8.290 nan 0.000 0.471 746 D N -2.092 118.186 120.400 -0.204 0.000 2.879 746 D HA 0.389 5.029 4.640 -0.000 0.000 0.346 746 D C -0.975 175.177 176.300 -0.246 0.000 1.390 746 D CA -0.701 53.142 54.000 -0.262 0.000 0.838 746 D CB 0.635 41.418 40.800 -0.029 0.000 1.416 746 D HN -0.039 nan 8.370 nan 0.000 0.493 750 E N 4.341 124.684 120.200 0.240 0.000 2.277 750 E HA 0.881 5.231 4.350 -0.000 0.000 0.266 750 E C -1.681 175.092 176.600 0.288 0.000 0.901 750 E CA -0.834 55.713 56.400 0.245 0.000 0.782 750 E CB 2.924 32.702 29.700 0.130 0.000 1.228 750 E HN 0.554 nan 8.360 nan 0.000 0.424 751 L N 3.796 125.177 121.223 0.264 0.000 2.929 751 L HA 0.461 4.801 4.340 -0.000 0.000 0.246 751 L C -0.148 176.803 176.870 0.136 0.000 0.960 751 L CA 0.721 55.696 54.840 0.226 0.000 1.056 751 L CB 0.801 43.045 42.059 0.309 0.000 1.437 751 L HN 0.757 nan 8.230 nan 0.000 0.514 752 G N 3.806 112.655 108.800 0.082 0.000 2.527 752 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.268 752 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.268 752 G C 0.565 175.465 174.900 0.000 0.000 1.175 752 G CA 0.475 45.597 45.100 0.038 0.000 0.962 752 G HN 1.059 nan 8.290 nan 0.000 0.560 753 N N 1.010 119.695 118.700 -0.025 0.000 2.396 753 N HA 0.006 4.746 4.740 -0.000 0.000 0.180 753 N C 0.833 176.281 175.510 -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 38.301 38.487 -0.052 0.000 0.967 753 N HN 0.777 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 -0.136 176.246 176.600 -0.362 0.000 1.023 754 K CA -0.076 56.005 56.287 -0.343 0.000 0.955 754 K CB 1.002 33.234 32.500 -0.447 0.000 0.975 754 K HN 0.047 nan 8.250 nan 0.000 0.471 755 R N 1.667 121.829 120.500 -0.563 0.000 2.604 755 R HA 0.355 4.695 4.340 -0.000 0.000 0.270 755 R C -1.698 174.470 176.300 -0.219 0.000 1.052 755 R CA -0.647 55.331 56.100 -0.203 0.000 0.902 755 R CB 1.348 31.596 30.300 -0.088 0.000 1.233 755 R HN 0.598 nan 8.270 nan 0.000 0.455 756 W N 3.036 124.442 121.300 0.177 0.000 2.883 756 W HA 0.344 5.004 4.660 -0.000 0.000 0.335 756 W C -0.746 175.853 176.519 0.132 0.000 1.083 756 W CA -0.555 56.850 57.345 0.101 0.000 1.233 756 W CB 2.259 31.750 29.460 0.050 0.000 1.412 756 W HN 0.428 nan 8.180 nan 0.000 0.490 757 Q N 2.649 122.583 119.800 0.224 0.000 2.337 757 Q HA 0.481 4.821 4.340 -0.000 0.000 0.270 757 Q C -2.022 173.904 176.000 -0.124 0.000 1.043 757 Q CA -0.504 55.412 55.803 0.187 0.000 0.794 757 Q CB 1.808 30.722 28.738 0.294 0.000 1.281 757 Q HN 0.372 nan 8.270 nan 0.000 0.446 758 F N 2.783 122.826 119.950 0.155 0.000 2.426 758 F HA 0.316 4.843 4.527 -0.000 0.000 0.348 758 F C 0.623 176.444 175.800 0.035 0.000 1.124 758 F CA -0.813 57.244 58.000 0.096 0.000 1.008 758 F CB 1.381 40.457 39.000 0.126 0.000 1.139 758 F HN 0.518 nan 8.300 nan 0.000 0.452 759 N N 3.478 122.276 118.700 0.164 0.000 2.497 759 N HA 0.076 4.816 4.740 -0.000 0.000 0.268 759 N C 0.885 176.396 175.510 0.001 0.000 1.171 759 N CA 0.050 53.141 53.050 0.069 0.000 0.948 759 N CB 0.794 39.332 38.487 0.085 0.000 1.069 759 N HN 0.708 nan 8.380 nan 0.000 0.460 760 R N 1.362 121.784 120.500 -0.130 0.000 2.236 760 R HA -0.029 4.311 4.340 -0.000 0.000 0.208 760 R C 1.459 177.683 176.300 -0.127 0.000 1.036 760 R CA 0.963 56.928 56.100 -0.225 0.000 1.001 760 R CB 0.242 30.292 30.300 -0.416 0.000 0.896 760 R HN 0.698 nan 8.270 nan 0.000 0.464 761 Q N -0.477 119.282 119.800 -0.067 0.000 2.373 761 Q HA 0.040 4.380 4.340 -0.000 0.000 0.210 761 Q C 1.742 177.725 176.000 -0.028 0.000 0.913 761 Q CA 1.214 56.989 55.803 -0.048 0.000 0.911 761 Q CB 0.239 28.964 28.738 -0.022 0.000 1.040 761 Q HN 0.223 nan 8.270 nan 0.000 0.521 762 S N 0.298 116.007 115.700 0.015 0.000 2.439 762 S HA 0.227 4.697 4.470 -0.000 0.000 0.224 762 S C 1.599 176.114 174.600 -0.142 0.000 1.029 762 S CA 0.792 59.031 58.200 0.064 0.000 0.946 762 S CB -0.079 63.283 63.200 0.270 0.000 0.797 762 S HN 0.585 nan 8.310 nan 0.000 0.504 763 G N 0.431 109.164 108.800 -0.113 0.000 2.143 763 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.248 763 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.248 763 G C -0.106 174.653 174.900 -0.236 0.000 0.991 763 G CA 0.364 45.362 45.100 -0.170 0.000 0.689 763 G HN 0.534 nan 8.290 nan 0.000 0.522 764 F N -1.363 118.773 119.950 0.309 0.000 2.575 764 F HA 0.680 5.207 4.527 -0.000 0.000 0.330 764 F C 0.464 176.338 175.800 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 1.554 122.905 121.223 0.212 0.000 2.456 765 L HA 0.211 4.551 4.340 -0.000 0.000 0.277 765 L C 0.558 177.346 176.870 -0.136 0.000 1.124 765 L CA 0.785 55.364 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 58.490 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 -0.153 119.502 119.800 -0.242 0.000 2.633 767 Q HA 0.626 4.966 4.340 -0.000 0.000 0.289 767 Q C -1.656 174.037 176.000 -0.512 0.000 0.940 767 Q CA -0.607 54.931 55.803 -0.441 0.000 0.785 767 Q CB 1.349 29.711 28.738 -0.626 0.000 1.467 767 Q HN 0.262 nan 8.270 nan 0.000 0.401 768 M N 0.321 119.477 119.600 -0.739 0.000 2.465 768 M HA 0.782 5.262 4.480 -0.000 0.000 0.284 768 M C -1.964 173.919 176.300 -0.696 0.000 1.212 768 M CA -0.289 54.659 55.300 -0.588 0.000 0.910 768 M CB 1.998 34.285 32.600 -0.521 0.000 1.725 768 M HN 0.510 nan 8.290 nan 0.000 0.477 769 W N 3.278 124.353 121.300 -0.376 0.000 2.844 769 W HA 0.693 5.353 4.660 -0.000 0.000 0.340 769 W C -1.523 174.789 176.519 -0.345 0.000 1.093 769 W CA -0.898 56.278 57.345 -0.283 0.000 1.212 769 W CB 2.002 31.330 29.460 -0.219 0.000 1.422 769 W HN 0.578 nan 8.180 nan 0.000 0.515 770 I N 2.139 122.716 120.570 0.011 0.000 2.418 770 I HA 0.452 4.622 4.170 -0.000 0.000 0.287 770 I C 0.828 176.944 176.117 -0.002 0.000 1.008 770 I CA 0.250 61.507 61.300 -0.071 0.000 1.104 770 I CB 1.270 39.201 38.000 -0.116 0.000 1.264 770 I HN 0.722 nan 8.210 nan 0.000 0.438 771 G N 5.594 114.381 108.800 -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 0.323 175.245 174.900 0.036 0.000 1.203 771 G CA 0.517 45.610 45.100 -0.011 0.000 0.987 771 G HN 0.787 nan 8.290 nan 0.000 0.554 772 D N 0.746 121.181 120.400 0.058 0.000 2.402 772 D HA 0.230 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 0.135 54.203 54.000 0.114 0.000 0.833 772 D CB 0.374 41.197 40.800 0.037 0.000 0.971 772 D HN 0.440 nan 8.370 nan 0.000 0.503 773 K N 0.997 121.504 120.400 0.178 0.000 2.211 773 K HA 0.294 4.614 4.320 -0.000 0.000 0.275 773 K C -0.069 176.504 176.600 -0.045 0.000 1.024 773 K CA -0.504 55.827 56.287 0.073 0.000 0.887 773 K CB 1.847 34.347 32.500 -0.001 0.000 1.084 773 K HN -0.154 nan 8.250 nan 0.000 0.463 774 K N 1.812 122.090 120.400 -0.203 0.000 2.258 774 K HA 0.048 4.368 4.320 -0.000 0.000 0.264 774 K C 0.758 177.149 176.600 -0.348 0.000 1.007 774 K CA -0.158 55.791 56.287 -0.563 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 0.985 120.553 119.800 -0.387 0.000 2.316 775 Q HA 0.214 4.554 4.340 -0.000 0.000 0.235 775 Q C -0.136 175.780 176.000 -0.140 0.000 0.863 775 Q CA 0.414 56.112 55.803 -0.174 0.000 0.939 775 Q CB 0.590 29.280 28.738 -0.079 0.000 1.108 775 Q HN 0.465 nan 8.270 nan 0.000 0.522 776 L N 0.749 121.838 121.223 -0.224 0.000 2.362 776 L HA 0.426 4.766 4.340 -0.000 0.000 0.271 776 L C 0.839 177.584 176.870 -0.208 0.000 1.002 776 L CA -0.463 54.268 54.840 -0.183 0.000 0.818 776 L CB 1.680 43.636 42.059 -0.170 0.000 1.298 776 L HN -0.119 nan 8.230 nan 0.000 0.420 777 L N -0.544 120.547 121.223 -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 0.052 41.974 42.059 -0.229 0.000 1.026 777 L HN 0.577 nan 8.230 nan 0.000 0.469 778 T N 0.601 115.029 114.554 -0.210 0.000 2.912 778 T HA 0.428 4.778 4.350 -0.000 0.000 0.299 778 T C -2.656 171.989 174.700 -0.092 0.000 1.052 778 T CA -1.166 60.854 62.100 -0.134 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 -0.670 176.605 177.300 -0.043 0.000 1.223 779 P CA -0.734 62.348 63.100 -0.031 0.000 0.784 779 P CB 0.445 32.153 31.700 0.013 0.000 0.923 780 L N 3.922 125.157 121.223 0.020 0.000 2.361 780 L HA 0.291 4.631 4.340 -0.000 0.000 0.278 780 L C 0.578 177.390 176.870 -0.096 0.000 1.113 780 L CA 0.585 55.458 54.840 0.055 0.000 0.849 780 L CB -0.541 41.660 42.059 0.238 0.000 1.155 780 L HN 0.465 nan 8.230 nan 0.000 0.452 781 R N 2.098 122.485 120.500 -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 -0.970 54.901 56.100 -0.382 0.000 0.893 781 R CB 0.410 30.132 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 -0.443 175.494 176.300 -0.604 0.000 1.142 782 D CA 0.454 54.240 54.000 -0.357 0.000 0.884 782 D CB 0.637 41.190 40.800 -0.412 0.000 1.199 782 D HN 0.352 nan 8.370 nan 0.000 0.438 783 Q N 1.136 120.358 119.800 -0.963 0.000 2.271 783 Q HA 0.321 4.661 4.340 -0.000 0.000 0.268 783 Q C -1.222 174.049 176.000 -1.215 0.000 1.021 783 Q CA -0.581 54.705 55.803 -0.862 0.000 0.802 783 Q CB 0.795 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 0.775 176.191 175.800 -0.641 0.000 1.096 784 F CA -0.125 57.446 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 -0.980 113.316 114.554 -0.431 0.000 2.858 785 T HA 0.764 5.114 4.350 -0.000 0.000 0.285 785 T C -0.586 173.889 174.700 -0.376 0.000 1.052 785 T CA -0.982 60.788 62.100 -0.550 0.000 1.009 785 T CB 2.757 71.255 68.868 -0.617 0.000 1.241 785 T HN 0.227 nan 8.240 nan 0.000 0.542 786 R N -0.412 119.902 120.500 -0.310 0.000 2.774 786 R HA 0.751 5.091 4.340 -0.000 0.000 0.272 786 R C -1.093 175.273 176.300 0.109 0.000 1.000 786 R CA -1.176 54.871 56.100 -0.089 0.000 0.906 786 R CB 1.502 31.755 30.300 -0.078 0.000 1.227 786 R HN 0.846 nan 8.270 nan 0.000 0.468 787 A N 3.254 126.120 122.820 0.077 0.000 2.444 787 A HA 0.329 4.649 4.320 -0.000 0.000 0.287 787 A C -2.060 175.599 177.584 0.125 0.000 1.195 787 A CA -1.459 50.625 52.037 0.079 0.000 0.858 787 A CB -0.455 18.545 19.000 0.000 0.000 1.117 787 A HN 0.518 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 63.846 63.100 0.267 0.000 0.759 788 P CB 0.295 32.173 31.700 0.297 0.000 0.782 789 L N 2.396 123.707 121.223 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 0.251 42.271 42.059 -0.066 0.000 1.191 789 L HN 0.311 nan 8.230 nan 0.000 0.459 790 D N 0.580 120.952 120.400 -0.046 0.000 2.116 790 D HA -0.183 4.457 4.640 -0.000 0.000 0.193 790 D C 1.587 177.871 176.300 -0.028 0.000 0.998 790 D CA 1.583 55.519 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 1.185 119.868 118.700 -0.029 0.000 2.149 791 N HA -0.133 4.607 4.740 -0.000 0.000 0.188 791 N C 1.230 176.771 175.510 0.051 0.000 1.019 791 N CA 0.868 53.919 53.050 0.002 0.000 0.857 791 N CB -0.329 38.137 38.487 -0.035 0.000 0.997 791 N HN 0.285 nan 8.380 nan 0.000 0.426 792 D N 0.308 120.754 120.400 0.077 0.000 2.224 792 D HA 0.006 4.646 4.640 -0.000 0.000 0.205 792 D C 2.001 178.368 176.300 0.112 0.000 0.965 792 D CA 0.381 54.465 54.000 0.141 0.000 0.852 792 D CB 0.023 40.980 40.800 0.262 0.000 0.947 792 D HN 0.333 nan 8.370 nan 0.000 0.494 793 I N 0.470 121.090 120.570 0.082 0.000 2.400 793 I HA -0.006 4.164 4.170 -0.000 0.000 0.248 793 I C 1.107 177.237 176.117 0.021 0.000 1.109 793 I CA 0.451 61.781 61.300 0.050 0.000 1.425 793 I CB -0.275 37.735 38.000 0.017 0.000 1.094 793 I HN -0.018 nan 8.210 nan 0.000 0.425 794 G N 2.831 111.653 108.800 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 0.580 45.718 45.100 0.064 0.000 1.281 794 G HN 0.442 nan 8.290 nan 0.000 0.378 795 V N -1.048 118.898 119.914 0.052 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 1.742 33.507 31.823 -0.097 0.000 1.014 795 V HN 1.097 nan 8.190 nan 0.000 0.425 796 S N 1.370 116.780 115.700 -0.483 0.000 2.506 796 S HA 0.363 4.833 4.470 -0.000 0.000 0.219 796 S C 0.281 174.190 174.600 -1.152 0.000 1.031 796 S CA -0.115 57.303 58.200 -1.303 0.000 0.911 796 S CB -0.080 62.254 63.200 -1.444 0.000 0.812 796 S HN 0.859 nan 8.310 nan 0.000 0.497 797 E N 0.784 120.611 120.200 -0.622 0.000 2.241 797 E HA 0.586 4.936 4.350 -0.000 0.000 0.263 797 E C 0.355 176.789 176.600 -0.277 0.000 0.882 797 E CA -0.285 55.852 56.400 -0.438 0.000 0.769 797 E CB 1.860 31.331 29.700 -0.381 0.000 1.185 797 E HN 0.221 nan 8.360 nan 0.000 0.415 798 A N 2.819 125.515 122.820 -0.208 0.000 1.971 798 A HA -0.267 4.053 4.320 -0.000 0.000 0.222 798 A C 2.003 179.530 177.584 -0.096 0.000 1.182 798 A CA 2.612 54.581 52.037 -0.114 0.000 0.649 798 A CB -0.800 18.162 19.000 -0.063 0.000 0.818 798 A HN 0.653 nan 8.150 nan 0.000 0.458 799 T N -0.165 114.318 114.554 -0.118 0.000 2.708 799 T HA -0.066 4.284 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 -0.191 68.603 68.868 -0.122 0.000 0.865 799 T HN 0.593 nan 8.240 nan 0.000 0.435 800 R N 1.954 122.378 120.500 -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 -0.599 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 -1.284 119.241 120.570 -0.075 0.000 2.385 801 I HA 0.348 4.518 4.170 -0.000 0.000 0.294 801 I C -0.478 175.601 176.117 -0.063 0.000 0.988 801 I CA -0.454 60.809 61.300 -0.062 0.000 1.265 801 I CB 1.462 39.436 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 0.732 63.767 63.100 -0.107 0.000 0.783 803 P CB 0.410 32.056 31.700 -0.089 0.000 0.771 804 N N -0.512 118.074 118.700 -0.191 0.000 2.353 804 N HA 0.086 4.826 4.740 -0.000 0.000 0.185 804 N C 0.754 176.028 175.510 -0.395 0.000 1.098 804 N CA 0.086 52.964 53.050 -0.287 0.000 0.872 804 N CB -0.053 38.287 38.487 -0.246 0.000 0.970 804 N HN 0.098 nan 8.380 nan 0.000 0.467 805 A N 0.072 122.723 122.820 -0.281 0.000 2.498 805 A HA 0.029 4.349 4.320 -0.000 0.000 0.239 805 A C 0.833 178.169 177.584 -0.412 0.000 1.068 805 A CA -0.328 51.544 52.037 -0.276 0.000 0.766 805 A CB 0.028 18.953 19.000 -0.125 0.000 1.003 805 A HN 0.330 nan 8.150 nan 0.000 0.497 806 W N 1.770 122.788 121.300 -0.470 0.000 2.302 806 W HA -0.225 4.435 4.660 -0.000 0.000 0.320 806 W C 2.254 178.172 176.519 -1.001 0.000 1.241 806 W CA 1.926 58.688 57.345 -0.971 0.000 1.264 806 W CB -0.458 28.300 29.460 -1.171 0.000 1.154 806 W HN 0.551 nan 8.180 nan 0.000 0.483 807 V N 0.625 120.425 119.914 -0.190 0.000 2.332 807 V HA -0.293 3.827 4.120 -0.000 0.000 0.248 807 V C 2.303 178.477 176.094 0.133 0.000 1.055 807 V CA 2.208 64.621 62.300 0.188 0.000 1.038 807 V CB -0.465 31.507 31.823 0.249 0.000 0.651 807 V HN 0.072 nan 8.190 nan 0.000 0.450 808 E N 0.188 120.370 120.200 -0.030 0.000 2.058 808 E HA -0.189 4.161 4.350 -0.000 0.000 0.194 808 E C 2.379 178.944 176.600 -0.058 0.000 0.997 808 E CA 1.441 57.819 56.400 -0.037 0.000 0.801 808 E CB -0.370 29.273 29.700 -0.096 0.000 0.746 808 E HN 0.628 nan 8.360 nan 0.000 0.450 809 R N -0.446 119.937 120.500 -0.195 0.000 2.075 809 R HA -0.125 4.215 4.340 -0.000 0.000 0.232 809 R C 2.314 178.560 176.300 -0.091 0.000 1.126 809 R CA 1.113 57.082 56.100 -0.217 0.000 0.963 809 R CB -0.433 29.614 30.300 -0.422 0.000 0.858 809 R HN 0.274 nan 8.270 nan 0.000 0.435 810 W N 1.983 123.239 121.300 -0.073 0.000 2.358 810 W HA -0.032 4.628 4.660 -0.000 0.000 0.303 810 W C 2.062 178.546 176.519 -0.057 0.000 1.208 810 W CA 0.386 57.594 57.345 -0.228 0.000 1.274 810 W CB -0.576 28.869 29.460 -0.026 0.000 1.138 810 W HN 0.120 nan 8.180 nan 0.000 0.515 811 K N 0.001 120.631 120.400 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 1.740 58.220 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 1.197 124.067 122.820 0.082 0.000 2.024 812 A HA -0.139 4.181 4.320 -0.000 0.000 0.220 812 A C 2.185 179.780 177.584 0.018 0.000 1.164 812 A CA 1.928 53.991 52.037 0.043 0.000 0.643 812 A CB -0.491 18.515 19.000 0.010 0.000 0.806 812 A HN 0.392 nan 8.150 nan 0.000 0.451 813 A N -2.127 120.687 122.820 -0.011 0.000 2.123 813 A HA 0.396 4.716 4.320 -0.000 0.000 0.214 813 A C 1.890 179.407 177.584 -0.112 0.000 1.152 813 A CA 1.304 53.335 52.037 -0.011 0.000 0.728 813 A CB -0.716 18.260 19.000 -0.039 0.000 0.814 813 A HN 1.888 nan 8.150 nan 0.000 0.464 814 G N -1.818 106.860 108.800 -0.204 0.000 2.141 814 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.231 814 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.231 814 G C 0.611 175.479 174.900 -0.053 0.000 0.984 814 G CA 0.611 45.386 45.100 -0.543 0.000 0.660 814 G HN 0.705 nan 8.290 nan 0.000 0.525 815 H N -1.301 117.722 119.070 -0.078 0.000 2.387 815 H HA -0.113 4.443 4.556 -0.000 0.000 0.299 815 H C 2.178 177.458 175.328 -0.079 0.000 1.099 815 H CA 1.652 57.655 56.048 -0.074 0.000 1.315 815 H CB 0.090 29.732 29.762 -0.201 0.000 1.380 815 H HN 0.615 nan 8.280 nan 0.000 0.513 816 Y N 0.738 121.155 120.300 0.196 0.000 2.509 816 Y HA -0.103 4.447 4.550 -0.000 0.000 0.293 816 Y C 1.800 177.780 175.900 0.133 0.000 1.133 816 Y CA 0.671 58.850 58.100 0.133 0.000 1.283 816 Y CB 0.413 38.941 38.460 0.113 0.000 1.001 816 Y HN 0.358 nan 8.280 nan 0.000 0.555 817 Q N -0.649 119.310 119.800 0.265 0.000 2.106 817 Q HA 0.464 4.804 4.340 -0.000 0.000 0.273 817 Q C -0.290 175.889 176.000 0.298 0.000 0.853 817 Q CA -0.378 55.581 55.803 0.259 0.000 1.118 817 Q CB 0.416 29.299 28.738 0.242 0.000 1.240 817 Q HN 0.127 nan 8.270 nan 0.000 0.445 818 A N 1.156 124.161 122.820 0.309 0.000 2.351 818 A HA 0.375 4.695 4.320 -0.000 0.000 0.257 818 A C -0.094 177.754 177.584 0.439 0.000 1.087 818 A CA -0.216 52.051 52.037 0.382 0.000 0.798 818 A CB 0.537 19.762 19.000 0.373 0.000 1.033 818 A HN 0.313 nan 8.150 nan 0.000 0.488 819 E N 0.702 121.099 120.200 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 0.181 0.000 0.789 819 E CB 1.770 31.542 29.700 0.120 0.000 1.098 819 E HN 0.725 nan 8.360 nan 0.000 0.397 820 A N 2.339 125.005 122.820 -0.256 0.000 2.371 820 A HA 0.604 4.924 4.320 -0.000 0.000 0.257 820 A C -0.256 177.154 177.584 -0.291 0.000 1.089 820 A CA -0.121 51.462 52.037 -0.757 0.000 0.794 820 A CB 0.572 19.064 19.000 -0.847 0.000 1.029 820 A HN 0.561 nan 8.150 nan 0.000 0.488 821 A N 1.888 124.540 122.820 -0.280 0.000 2.375 821 A HA 0.559 4.879 4.320 -0.000 0.000 0.295 821 A C -0.786 176.710 177.584 -0.146 0.000 1.066 821 A CA -0.551 51.409 52.037 -0.128 0.000 0.722 821 A CB 0.756 19.707 19.000 -0.080 0.000 1.206 821 A HN 1.169 nan 8.150 nan 0.000 0.435 822 L N 3.373 124.492 121.223 -0.174 0.000 2.418 822 L HA 0.284 4.624 4.340 -0.000 0.000 0.274 822 L C 0.569 177.303 176.870 -0.227 0.000 1.135 822 L CA 0.029 54.660 54.840 -0.347 0.000 0.870 822 L CB 0.091 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 3.650 124.731 121.223 -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 0.085 42.107 42.059 -0.061 0.000 0.996 823 L HN 0.800 nan 8.230 nan 0.000 0.467 824 Q N -0.656 119.045 119.800 -0.166 0.000 2.617 824 Q HA 0.296 4.636 4.340 -0.000 0.000 0.270 824 Q C -1.934 173.999 176.000 -0.111 0.000 0.967 824 Q CA -0.762 54.979 55.803 -0.104 0.000 0.887 824 Q CB 2.283 30.992 28.738 -0.049 0.000 1.516 824 Q HN 0.016 nan 8.270 nan 0.000 0.395 825 C N 2.768 122.043 119.300 -0.041 0.000 2.705 825 C HA 0.893 5.353 4.460 -0.000 0.000 0.369 825 C C -1.098 173.957 174.990 0.107 0.000 1.069 825 C CA 0.758 59.790 59.018 0.023 0.000 1.260 825 C CB 0.844 28.595 27.740 0.017 0.000 1.764 825 C HN 0.905 nan 8.230 nan 0.000 0.469 826 T N 2.792 117.375 114.554 0.048 0.000 2.883 826 T HA 0.891 5.241 4.350 -0.000 0.000 0.301 826 T C -0.592 173.955 174.700 -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 70.651 68.868 -0.037 0.000 1.186 826 T HN 1.986 nan 8.240 nan 0.000 0.499 827 A N 1.661 124.206 122.820 -0.458 0.000 2.401 827 A HA 0.841 5.161 4.320 -0.000 0.000 0.310 827 A C -1.235 176.128 177.584 -0.369 0.000 1.075 827 A CA -0.645 51.013 52.037 -0.633 0.000 0.746 827 A CB 1.450 19.654 19.000 -1.326 0.000 1.277 827 A HN 0.894 nan 8.150 nan 0.000 0.425 828 D N 0.289 120.518 120.400 -0.285 0.000 2.736 828 D HA 0.451 5.091 4.640 -0.000 0.000 0.223 828 D C -1.312 174.902 176.300 -0.142 0.000 1.231 828 D CA -0.012 53.884 54.000 -0.174 0.000 0.818 828 D CB 2.436 43.164 40.800 -0.121 0.000 1.587 828 D HN 0.448 nan 8.370 nan 0.000 0.463 829 T N 1.512 116.007 114.554 -0.098 0.000 2.758 829 T HA 0.513 4.863 4.350 -0.000 0.000 0.285 829 T C 0.121 174.792 174.700 -0.049 0.000 0.981 829 T CA -0.584 61.475 62.100 -0.069 0.000 0.965 829 T CB 1.093 69.935 68.868 -0.043 0.000 0.927 829 T HN 0.057 nan 8.240 nan 0.000 0.448 830 L N 1.674 122.869 121.223 -0.047 0.000 2.376 830 L HA 0.679 5.019 4.340 -0.000 0.000 0.267 830 L C 1.807 178.663 176.870 -0.024 0.000 1.035 830 L CA -0.501 54.319 54.840 -0.034 0.000 0.800 830 L CB 0.111 42.148 42.059 -0.036 0.000 1.290 830 L HN 0.722 nan 8.230 nan 0.000 0.462 831 A N -0.170 122.639 122.820 -0.018 0.000 1.933 831 A HA -0.148 4.172 4.320 -0.000 0.000 0.218 831 A C 0.949 178.526 177.584 -0.012 0.000 1.175 831 A CA 2.036 54.066 52.037 -0.012 0.000 0.628 831 A CB -0.707 18.287 19.000 -0.009 0.000 0.814 831 A HN 0.862 nan 8.150 nan 0.000 0.444 832 D N -2.472 117.917 120.400 -0.017 0.000 2.500 832 D HA 0.564 5.204 4.640 -0.000 0.000 0.217 832 D C 0.236 176.520 176.300 -0.026 0.000 1.159 832 D CA 0.660 54.648 54.000 -0.019 0.000 0.828 832 D CB 0.500 41.289 40.800 -0.018 0.000 1.039 832 D HN 0.512 nan 8.370 nan 0.000 0.512 833 A N -0.411 122.389 122.820 -0.033 0.000 2.511 833 A HA 0.618 4.938 4.320 -0.000 0.000 0.293 833 A C -1.748 175.796 177.584 -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 1.358 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 5.774 126.904 121.223 -0.156 0.000 2.376 835 L HA 0.656 4.996 4.340 -0.000 0.000 0.275 835 L C -0.913 175.837 176.870 -0.200 0.000 0.987 835 L CA -0.069 54.688 54.840 -0.139 0.000 0.828 835 L CB 1.417 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 -0.047 176.059 176.117 -0.019 0.000 0.994 836 I CA -0.381 60.774 61.300 -0.242 0.000 1.144 836 I CB 1.722 39.364 38.000 -0.596 0.000 1.314 836 I HN 0.525 nan 8.210 nan 0.000 0.445 837 T N 4.520 119.049 114.554 -0.041 0.000 2.879 837 T HA 0.630 4.980 4.350 -0.000 0.000 0.290 837 T C -0.002 174.738 174.700 0.067 0.000 0.993 837 T CA -0.533 61.592 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 -0.219 114.418 114.554 0.139 0.000 2.901 838 T HA 0.911 5.261 4.350 -0.000 0.000 0.293 838 T C -1.137 173.630 174.700 0.112 0.000 1.084 838 T CA -1.110 61.056 62.100 0.109 0.000 1.008 838 T CB 2.099 71.118 68.868 0.251 0.000 1.170 838 T HN 0.790 nan 8.240 nan 0.000 0.509 839 A N 1.430 124.240 122.820 -0.016 0.000 2.465 839 A HA 0.713 5.033 4.320 -0.000 0.000 0.292 839 A C -1.493 176.029 177.584 -0.105 0.000 1.041 839 A CA -0.790 51.286 52.037 0.065 0.000 0.718 839 A CB 0.724 19.749 19.000 0.042 0.000 1.266 839 A HN 0.985 nan 8.150 nan 0.000 0.403 840 H N 0.257 119.392 119.070 0.107 0.000 2.797 840 H HA 0.850 5.406 4.556 -0.000 0.000 0.372 840 H C 0.028 175.410 175.328 0.090 0.000 1.168 840 H CA 0.157 56.191 56.048 -0.024 0.000 1.163 840 H CB 2.107 31.729 29.762 -0.234 0.000 1.778 840 H HN 1.015 nan 8.280 nan 0.000 0.551 841 A N 1.333 124.199 122.820 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 -0.721 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 2.219 123.610 121.300 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 1.697 31.270 29.460 0.187 0.000 1.305 842 W HN 0.773 nan 8.180 nan 0.000 0.476 843 Q N 1.857 121.785 119.800 0.214 0.000 2.496 843 Q HA 0.479 4.819 4.340 -0.000 0.000 0.286 843 Q C -1.027 175.099 176.000 0.210 0.000 1.103 843 Q CA -0.970 54.913 55.803 0.135 0.000 0.813 843 Q CB 3.500 32.286 28.738 0.079 0.000 1.444 843 Q HN 0.447 nan 8.270 nan 0.000 0.443 844 H N 0.799 119.893 119.070 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 0.962 30.765 29.762 0.068 0.000 1.909 844 H HN 0.864 nan 8.280 nan 0.000 0.465 845 Q N 3.218 122.803 119.800 -0.358 0.000 2.453 845 Q HA -0.236 4.104 4.340 -0.000 0.000 0.294 845 Q C 0.944 176.900 176.000 -0.074 0.000 1.295 845 Q CA 1.137 56.796 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 -0.191 108.587 108.800 -0.037 0.000 2.205 846 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.261 846 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.261 846 G C 0.068 174.977 174.900 0.014 0.000 0.980 846 G CA 0.676 45.773 45.100 -0.006 0.000 0.632 846 G HN 0.378 nan 8.290 nan 0.000 0.533 847 K N 1.224 121.642 120.400 0.030 0.000 2.156 847 K HA 0.620 4.940 4.320 -0.000 0.000 0.271 847 K C -0.131 176.481 176.600 0.021 0.000 0.995 847 K CA -0.124 56.182 56.287 0.032 0.000 0.890 847 K CB 0.861 33.387 32.500 0.044 0.000 1.073 847 K HN 0.011 nan 8.250 nan 0.000 0.454 848 T N 5.735 120.290 114.554 0.002 0.000 2.728 848 T HA 0.231 4.581 4.350 -0.000 0.000 0.296 848 T C 1.095 175.729 174.700 -0.110 0.000 0.940 848 T CA -0.564 61.528 62.100 -0.012 0.000 1.013 848 T CB 0.536 69.419 68.868 0.026 0.000 0.912 848 T HN 0.529 nan 8.240 nan 0.000 0.484 849 L N 1.996 123.036 121.223 -0.304 0.000 2.168 849 L HA 0.354 4.694 4.340 -0.000 0.000 0.203 849 L C -0.070 176.312 176.870 -0.814 0.000 1.078 849 L CA 0.862 55.251 54.840 -0.752 0.000 0.780 849 L CB -0.037 41.103 42.059 -1.531 0.000 0.939 849 L HN 0.526 nan 8.230 nan 0.000 0.451 850 F N -1.083 118.818 119.950 -0.082 0.000 2.626 850 F HA 0.593 5.120 4.527 -0.000 0.000 0.311 850 F C -0.517 175.378 175.800 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 -0.693 0.000 1.322 850 F HN -0.326 nan 8.300 nan 0.000 0.461 851 I N 1.422 122.228 120.570 0.394 0.000 2.466 851 I HA 0.405 4.575 4.170 -0.000 0.000 0.289 851 I C -0.887 175.494 176.117 0.440 0.000 1.026 851 I CA -0.573 60.979 61.300 0.421 0.000 1.078 851 I CB 2.227 40.389 38.000 0.271 0.000 1.249 851 I HN 0.569 nan 8.210 nan 0.000 0.429 852 S N 6.714 122.771 115.700 0.594 0.000 2.552 852 S HA 0.605 5.075 4.470 -0.000 0.000 0.314 852 S C -0.769 174.083 174.600 0.420 0.000 1.099 852 S CA -0.671 57.848 58.200 0.532 0.000 1.070 852 S CB 0.792 64.423 63.200 0.719 0.000 0.998 852 S HN 0.583 nan 8.310 nan 0.000 0.474 853 R N 3.434 124.104 120.500 0.282 0.000 2.480 853 R HA 0.556 4.896 4.340 -0.000 0.000 0.306 853 R C -0.755 175.623 176.300 0.130 0.000 0.958 853 R CA -0.776 55.448 56.100 0.206 0.000 0.861 853 R CB 1.930 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 2.395 854 K HA 0.558 4.878 4.320 -0.000 0.000 0.245 854 K C -0.727 175.858 176.600 -0.024 0.000 1.017 854 K CA -0.970 55.307 56.287 -0.016 0.000 0.852 854 K CB 2.444 34.888 32.500 -0.095 0.000 1.311 854 K HN 0.623 nan 8.250 nan 0.000 0.452 855 T N -1.415 113.036 114.554 -0.172 0.000 2.952 855 T HA 0.534 4.884 4.350 -0.000 0.000 0.305 855 T C -1.456 173.117 174.700 -0.210 0.000 1.064 855 T CA -0.786 61.264 62.100 -0.082 0.000 1.008 855 T CB 0.430 69.281 68.868 -0.028 0.000 1.078 855 T HN 0.408 nan 8.240 nan 0.000 0.459 856 Y N 1.249 121.529 120.300 -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 2.015 40.480 38.460 0.009 0.000 1.179 856 Y HN 0.807 nan 8.280 nan 0.000 0.454 857 R N 4.906 125.453 120.500 0.079 0.000 2.483 857 R HA 0.633 4.973 4.340 -0.000 0.000 0.303 857 R C -2.000 174.261 176.300 -0.065 0.000 0.987 857 R CA -0.382 55.710 56.100 -0.013 0.000 0.881 857 R CB 0.835 31.127 30.300 -0.013 0.000 1.177 857 R HN 0.819 nan 8.270 nan 0.000 0.451 858 I N 4.588 125.066 120.570 -0.154 0.000 2.362 858 I HA 0.267 4.437 4.170 -0.000 0.000 0.289 858 I C -0.383 175.634 176.117 -0.167 0.000 0.994 858 I CA -0.945 60.203 61.300 -0.254 0.000 1.158 858 I CB 1.611 39.295 38.000 -0.526 0.000 1.315 858 I HN 0.708 nan 8.210 nan 0.000 0.451 859 D N 4.028 124.360 120.400 -0.113 0.000 2.506 859 D HA 0.296 4.936 4.640 -0.000 0.000 0.254 859 D C 1.232 177.513 176.300 -0.032 0.000 1.089 859 D CA -0.693 53.272 54.000 -0.059 0.000 1.050 859 D CB 0.961 41.742 40.800 -0.032 0.000 1.221 859 D HN 0.501 nan 8.370 nan 0.000 0.589 860 G N -1.220 107.569 108.800 -0.019 0.000 2.498 860 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.219 860 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.219 860 G C 1.172 176.076 174.900 0.008 0.000 1.119 860 G CA 1.079 46.176 45.100 -0.004 0.000 0.766 860 G HN 0.557 nan 8.290 nan 0.000 0.552 861 S N -0.862 114.842 115.700 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 63.202 63.200 0.016 0.000 0.776 861 S HN 1.471 nan 8.310 nan 0.000 0.523 862 G N 0.853 109.705 108.800 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 45.212 45.100 0.192 0.000 0.741 862 G HN 0.623 nan 8.290 nan 0.000 0.508 863 Q N -0.784 119.059 119.800 0.072 0.000 2.274 863 Q HA 0.683 5.023 4.340 -0.000 0.000 0.260 863 Q C 0.059 176.071 176.000 0.020 0.000 0.974 863 Q CA -0.606 55.246 55.803 0.082 0.000 0.876 863 Q CB 1.995 30.782 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 -0.513 54.826 55.300 0.064 0.000 0.956 864 M CB 1.105 33.739 32.600 0.056 0.000 1.551 864 M HN 0.756 nan 8.290 nan 0.000 0.427 865 A N 6.973 129.860 122.820 0.111 0.000 2.288 865 A HA 0.772 5.092 4.320 -0.000 0.000 0.320 865 A C -0.892 176.732 177.584 0.066 0.000 1.217 865 A CA -0.695 51.406 52.037 0.106 0.000 0.840 865 A CB 0.551 19.593 19.000 0.070 0.000 1.179 865 A HN 0.908 nan 8.150 nan 0.000 0.504 866 I N 1.457 122.049 120.570 0.037 0.000 2.474 866 I HA 0.462 4.632 4.170 -0.000 0.000 0.294 866 I C -0.178 175.835 176.117 -0.174 0.000 1.005 866 I CA -0.382 60.846 61.300 -0.119 0.000 1.113 866 I CB 2.379 40.325 38.000 -0.090 0.000 1.289 866 I HN 0.491 nan 8.210 nan 0.000 0.436 867 T N 5.034 119.431 114.554 -0.262 0.000 2.841 867 T HA 0.550 4.900 4.350 -0.000 0.000 0.285 867 T C -0.612 173.883 174.700 -0.341 0.000 0.991 867 T CA -0.383 61.564 62.100 -0.256 0.000 0.966 867 T CB 1.865 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 3.966 123.551 119.914 -0.550 0.000 2.540 868 V HA 0.593 4.713 4.120 -0.000 0.000 0.302 868 V C -0.785 175.138 176.094 -0.284 0.000 1.035 868 V CA -0.914 61.088 62.300 -0.497 0.000 0.873 868 V CB 2.114 33.384 31.823 -0.922 0.000 0.992 868 V HN 0.833 nan 8.190 nan 0.000 0.428 869 D N 3.063 123.465 120.400 0.004 0.000 2.686 869 D HA 0.512 5.152 4.640 -0.000 0.000 0.249 869 D C -1.122 175.308 176.300 0.216 0.000 1.260 869 D CA -0.120 53.984 54.000 0.174 0.000 0.910 869 D CB 2.787 43.720 40.800 0.221 0.000 1.323 869 D HN 0.275 nan 8.370 nan 0.000 0.561 870 V N 1.888 121.967 119.914 0.275 0.000 2.628 870 V HA 0.369 4.489 4.120 -0.000 0.000 0.306 870 V C 0.048 176.291 176.094 0.248 0.000 1.045 870 V CA -0.704 61.766 62.300 0.283 0.000 0.905 870 V CB 2.531 34.546 31.823 0.320 0.000 0.997 870 V HN 0.384 nan 8.190 nan 0.000 0.436 871 E N 1.925 122.258 120.200 0.222 0.000 2.187 871 E HA 0.678 5.028 4.350 -0.000 0.000 0.268 871 E C -1.592 175.133 176.600 0.209 0.000 0.896 871 E CA -0.488 56.023 56.400 0.185 0.000 0.766 871 E CB 2.387 32.181 29.700 0.157 0.000 1.142 871 E HN 0.471 nan 8.360 nan 0.000 0.408 872 V N 2.284 122.321 119.914 0.204 0.000 2.487 872 V HA 0.455 4.575 4.120 -0.000 0.000 0.298 872 V C -0.061 176.133 176.094 0.167 0.000 1.028 872 V CA -1.009 61.435 62.300 0.241 0.000 0.860 872 V CB 1.603 33.590 31.823 0.274 0.000 0.991 872 V HN 0.845 nan 8.190 nan 0.000 0.427 873 A N 3.220 126.108 122.820 0.114 0.000 2.548 873 A HA 0.295 4.615 4.320 -0.000 0.000 0.247 873 A C 1.675 179.337 177.584 0.129 0.000 1.067 873 A CA 0.638 52.725 52.037 0.083 0.000 0.757 873 A CB 0.249 19.265 19.000 0.026 0.000 0.996 873 A HN 1.398 nan 8.150 nan 0.000 0.504 874 S N 1.624 117.392 115.700 0.114 0.000 2.400 874 S HA -0.189 4.281 4.470 -0.000 0.000 0.232 874 S C 0.984 175.670 174.600 0.142 0.000 1.025 874 S CA 1.597 59.878 58.200 0.135 0.000 0.993 874 S CB -0.342 62.914 63.200 0.093 0.000 0.808 874 S HN 0.825 nan 8.310 nan 0.000 0.478 875 D N 0.278 120.738 120.400 0.101 0.000 2.325 875 D HA 0.152 4.792 4.640 -0.000 0.000 0.225 875 D C 0.507 176.858 176.300 0.084 0.000 1.096 875 D CA 0.018 54.064 54.000 0.078 0.000 0.844 875 D CB -0.330 40.499 40.800 0.049 0.000 0.925 875 D HN 0.332 nan 8.370 nan 0.000 0.513 876 T N 0.756 115.389 114.554 0.133 0.000 2.943 876 T HA 0.449 4.799 4.350 -0.000 0.000 0.284 876 T C -2.673 172.161 174.700 0.223 0.000 1.015 876 T CA -2.026 60.180 62.100 0.176 0.000 1.042 876 T CB 1.393 70.380 68.868 0.198 0.000 1.055 876 T HN -0.192 nan 8.240 nan 0.000 0.500 877 P HA 0.192 nan 4.420 nan 0.000 0.271 877 P C -0.639 176.972 177.300 0.518 0.000 1.216 877 P CA -0.234 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 -1.871 173.804 175.328 0.578 0.000 1.030 878 H CA -1.736 54.599 56.048 0.478 0.000 1.445 878 H CB -0.951 29.027 29.762 0.361 0.000 1.449 878 H HN 0.311 nan 8.280 nan 0.000 0.581 879 P HA 0.089 nan 4.420 nan 0.000 0.274 879 P C 0.386 177.607 177.300 -0.130 0.000 1.231 879 P CA -0.335 62.836 63.100 0.118 0.000 0.790 879 P CB 0.839 32.472 31.700 -0.112 0.000 0.951 880 A N 3.087 125.596 122.820 -0.517 0.000 1.969 880 A HA -0.086 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 1.467 53.149 52.037 -0.592 0.000 0.635 880 A CB -0.558 17.898 19.000 -0.908 0.000 0.810 880 A HN 0.765 nan 8.150 nan 0.000 0.445 881 R N -2.936 117.238 120.500 -0.543 0.000 2.741 881 R HA 0.704 5.044 4.340 -0.000 0.000 0.274 881 R C -1.889 174.174 176.300 -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 -0.379 0.000 1.083 882 I CA -0.427 60.684 61.300 -0.315 0.000 1.080 882 I CB 1.790 39.678 38.000 -0.185 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 -0.705 176.062 176.870 -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 0.098 118.725 118.700 -0.120 0.000 2.823 885 N HA 0.670 5.410 4.740 -0.000 0.000 0.251 885 N C -1.343 174.180 175.510 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 -1.632 117.723 119.300 0.092 0.000 3.253 886 C HA 0.578 5.038 4.460 -0.000 0.000 0.342 886 C C -1.379 173.537 174.990 -0.123 0.000 1.306 886 C CA -0.833 58.214 59.018 0.047 0.000 1.207 886 C CB 0.939 28.687 27.740 0.013 0.000 1.479 886 C HN 0.882 nan 8.230 nan 0.000 0.469 887 Q N 1.310 120.822 119.800 -0.482 0.000 2.347 887 Q HA 0.684 5.024 4.340 -0.000 0.000 0.262 887 Q C -1.044 174.678 176.000 -0.463 0.000 0.980 887 Q CA -0.442 54.804 55.803 -0.927 0.000 0.867 887 Q CB 0.900 28.711 28.738 -1.546 0.000 1.242 887 Q HN 0.747 nan 8.270 nan 0.000 0.453 888 L N 2.611 123.641 121.223 -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 0.971 43.042 42.059 0.020 0.000 1.146 888 L HN 0.807 nan 8.230 nan 0.000 0.447 889 A N 2.115 124.868 122.820 -0.111 0.000 1.930 889 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 889 A C 1.164 178.712 177.584 -0.059 0.000 1.175 889 A CA 0.879 52.852 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 -0.529 119.267 119.800 -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 0.097 55.898 55.803 -0.004 0.000 0.896 890 Q CB 0.967 29.712 28.738 0.013 0.000 1.241 890 Q HN 0.152 nan 8.270 nan 0.000 0.485 891 V N 2.310 122.208 119.914 -0.027 0.000 2.612 891 V HA 0.790 4.910 4.120 -0.000 0.000 0.301 891 V C -0.834 175.209 176.094 -0.084 0.000 1.059 891 V CA -0.144 62.172 62.300 0.026 0.000 0.886 891 V CB 1.152 32.987 31.823 0.021 0.000 1.007 891 V HN 0.951 nan 8.190 nan 0.000 0.426 892 A N 3.237 125.970 122.820 -0.144 0.000 2.389 892 A HA 0.886 5.206 4.320 -0.000 0.000 0.293 892 A C 0.527 178.144 177.584 0.055 0.000 1.186 892 A CA -0.338 51.588 52.037 -0.185 0.000 0.828 892 A CB 1.643 20.329 19.000 -0.524 0.000 1.369 892 A HN 0.735 nan 8.150 nan 0.000 0.446 893 E N -0.234 119.989 120.200 0.038 0.000 2.060 893 E HA 0.071 4.421 4.350 -0.000 0.000 0.189 893 E C 0.614 177.299 176.600 0.142 0.000 0.974 893 E CA 0.991 57.441 56.400 0.083 0.000 0.808 893 E CB 0.142 29.869 29.700 0.045 0.000 0.768 893 E HN 0.538 nan 8.360 nan 0.000 0.453 894 R N -0.534 120.059 120.500 0.154 0.000 2.856 894 R HA 0.610 4.950 4.340 -0.000 0.000 0.258 894 R C -1.043 175.445 176.300 0.312 0.000 1.066 894 R CA -0.900 55.319 56.100 0.198 0.000 1.045 894 R CB 2.072 32.457 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 0.325 4.445 4.120 -0.000 0.000 0.304 895 V C -0.711 175.654 176.094 0.452 0.000 1.054 895 V CA -0.967 61.562 62.300 0.382 0.000 0.882 895 V CB 1.921 33.928 31.823 0.307 0.000 1.002 895 V HN 0.741 nan 8.190 nan 0.000 0.424 896 N N 3.963 122.920 118.700 0.428 0.000 2.295 896 N HA 0.571 5.311 4.740 -0.000 0.000 0.293 896 N C -1.455 174.333 175.510 0.464 0.000 1.040 896 N CA -0.396 52.879 53.050 0.374 0.000 0.840 896 N CB 3.027 41.623 38.487 0.182 0.000 1.468 896 N HN 0.832 nan 8.380 nan 0.000 0.478 897 W N 3.006 124.369 121.300 0.104 0.000 3.074 897 W HA 0.611 5.271 4.660 -0.000 0.000 0.332 897 W C -2.166 174.362 176.519 0.016 0.000 1.253 897 W CA -1.066 56.326 57.345 0.079 0.000 1.180 897 W CB 0.725 30.265 29.460 0.133 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 0.042 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 -0.041 0.000 1.012 898 L CA 0.376 55.075 54.840 -0.234 0.000 0.859 898 L CB 0.774 42.743 42.059 -0.150 0.000 1.224 898 L HN 1.026 nan 8.230 nan 0.000 0.429 899 G N 3.664 112.359 108.800 -0.176 0.000 2.393 899 G HA2 0.220 4.180 3.960 -0.000 0.000 0.264 899 G HA3 0.220 4.180 3.960 -0.000 0.000 0.264 899 G C -1.633 173.431 174.900 0.274 0.000 1.221 899 G CA -0.995 44.219 45.100 0.189 0.000 0.912 899 G HN 0.376 nan 8.290 nan 0.000 0.483 900 L N 1.265 122.722 121.223 0.389 0.000 2.331 900 L HA 0.624 4.964 4.340 -0.000 0.000 0.278 900 L C 0.965 177.889 176.870 0.090 0.000 1.106 900 L CA 0.452 55.435 54.840 0.238 0.000 0.824 900 L CB 0.670 42.797 42.059 0.114 0.000 1.142 900 L HN 1.038 nan 8.230 nan 0.000 0.443 901 G N 3.157 111.733 108.800 -0.373 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 44.158 45.100 -1.064 0.000 0.800 901 G HN 0.320 nan 8.290 nan 0.000 0.481 902 P HA 0.148 nan 4.420 nan 0.000 0.259 902 P C 0.403 177.486 177.300 -0.361 0.000 1.233 902 P CA 0.311 62.791 63.100 -1.033 0.000 0.827 902 P CB 0.781 32.043 31.700 -0.731 0.000 1.154 903 Q N 0.621 120.220 119.800 -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 -0.552 55.129 55.803 -0.204 0.000 0.936 903 Q CB 0.694 29.342 28.738 -0.151 0.000 1.204 903 Q HN 0.108 nan 8.270 nan 0.000 0.524 904 E N 1.320 121.413 120.200 -0.178 0.000 2.608 904 E HA -0.128 4.222 4.350 -0.000 0.000 0.259 904 E C -1.180 175.339 176.600 -0.135 0.000 0.951 904 E CA 0.292 56.581 56.400 -0.185 0.000 0.945 904 E CB 0.211 29.873 29.700 -0.063 0.000 0.916 904 E HN 0.568 nan 8.360 nan 0.000 0.477 905 N N 2.804 121.345 118.700 -0.266 0.000 2.308 905 N HA 0.318 5.058 4.740 -0.000 0.000 0.283 905 N C -1.881 173.389 175.510 -0.400 0.000 1.105 905 N CA -0.686 52.258 53.050 -0.178 0.000 0.840 905 N CB 0.723 39.120 38.487 -0.150 0.000 1.633 905 N HN 0.237 nan 8.380 nan 0.000 0.476 906 Y N 0.074 120.282 120.300 -0.153 0.000 2.598 906 Y HA 0.513 5.063 4.550 -0.000 0.000 0.340 906 Y C -1.610 174.220 175.900 -0.116 0.000 1.038 906 Y CA -2.076 55.923 58.100 -0.168 0.000 1.100 906 Y CB 1.722 40.078 38.460 -0.174 0.000 1.281 906 Y HN 0.435 nan 8.280 nan 0.000 0.488 907 P HA -0.188 nan 4.420 nan 0.000 0.216 907 P C 0.414 177.664 177.300 -0.083 0.000 1.154 907 P CA 2.152 65.296 63.100 0.072 0.000 0.865 907 P CB 0.189 32.012 31.700 0.205 0.000 0.789 908 D N -2.149 118.017 120.400 -0.390 0.000 2.358 908 D HA 0.015 4.655 4.640 -0.000 0.000 0.224 908 D C 0.568 176.734 176.300 -0.223 0.000 1.123 908 D CA -0.015 53.550 54.000 -0.724 0.000 0.833 908 D CB -0.227 39.775 40.800 -1.330 0.000 0.946 908 D HN 0.128 nan 8.370 nan 0.000 0.505 909 R N 1.009 121.473 120.500 -0.059 0.000 2.837 909 R HA 0.208 4.548 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 0.076 30.395 30.300 0.032 0.000 1.490 909 R HN 0.111 nan 8.270 nan 0.000 0.667 910 L N -1.051 120.214 121.223 0.070 0.000 3.635 910 L HA 0.303 4.643 4.340 -0.000 0.000 0.338 910 L C 1.175 178.105 176.870 0.101 0.000 1.275 910 L CA 0.059 54.937 54.840 0.063 0.000 1.092 910 L CB 0.185 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 -2.579 112.063 114.554 0.146 0.000 2.915 911 T HA 0.059 4.409 4.350 -0.000 0.000 0.269 911 T C 1.698 176.492 174.700 0.157 0.000 1.071 911 T CA 1.274 63.489 62.100 0.191 0.000 1.132 911 T CB -0.193 68.826 68.868 0.252 0.000 0.878 911 T HN 0.403 nan 8.240 nan 0.000 0.479 912 A N 1.279 124.195 122.820 0.159 0.000 2.119 912 A HA 0.682 5.002 4.320 -0.000 0.000 0.216 912 A C 1.657 179.338 177.584 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 18.291 19.000 0.280 0.000 0.805 912 A HN 0.820 nan 8.150 nan 0.000 0.460 916 D N 3.074 122.864 120.400 -1.015 0.000 3.145 916 D HA 0.310 4.950 4.640 -0.000 0.000 0.345 916 D C -1.540 173.835 176.300 -1.543 0.000 1.391 916 D CA -0.753 52.465 54.000 -1.302 0.000 0.930 916 D CB 2.274 42.255 40.800 -1.365 0.000 1.451 916 D HN 0.622 nan 8.370 nan 0.000 0.555 917 R N 0.564 120.199 120.500 -1.442 0.000 2.255 917 R HA 0.466 4.806 4.340 -0.000 0.000 0.326 917 R C -1.373 174.096 176.300 -1.385 0.000 0.986 917 R CA -0.433 54.974 56.100 -1.155 0.000 0.847 917 R CB 0.576 30.479 30.300 -0.661 0.000 1.111 917 R HN 0.233 nan 8.270 nan 0.000 0.452 918 W N 2.624 123.361 121.300 -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 -0.989 0.000 1.218 918 W CB 1.544 29.928 29.460 -1.795 0.000 1.410 918 W HN 0.313 nan 8.180 nan 0.000 0.528 919 D N 2.616 122.965 120.400 -0.085 0.000 2.736 919 D HA 0.521 5.161 4.640 -0.000 0.000 0.243 919 D C -1.285 175.111 176.300 0.160 0.000 1.304 919 D CA -0.129 53.919 54.000 0.080 0.000 0.934 919 D CB 1.216 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 2.532 123.918 121.223 0.272 0.000 2.397 920 L HA 0.570 4.910 4.340 -0.000 0.000 0.251 920 L C -2.521 174.473 176.870 0.206 0.000 1.064 920 L CA -2.175 52.801 54.840 0.227 0.000 0.859 920 L CB 2.681 44.907 42.059 0.277 0.000 1.468 920 L HN 0.149 nan 8.230 nan 0.000 0.411 921 P HA 0.143 nan 4.420 nan 0.000 0.284 921 P C 0.491 177.875 177.300 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 32.964 31.700 0.098 0.000 0.961 922 L N 3.685 124.996 121.223 0.148 0.000 2.064 922 L HA -0.310 4.030 4.340 -0.000 0.000 0.216 922 L C 2.224 179.153 176.870 0.098 0.000 1.077 922 L CA 2.825 57.741 54.840 0.126 0.000 0.766 922 L CB -1.518 40.629 42.059 0.146 0.000 0.890 922 L HN 0.456 nan 8.230 nan 0.000 0.435 923 S N -1.527 114.231 115.700 0.097 0.000 2.374 923 S HA -0.224 4.246 4.470 -0.000 0.000 0.227 923 S C 1.652 176.329 174.600 0.127 0.000 1.037 923 S CA 1.347 59.613 58.200 0.110 0.000 1.024 923 S CB -0.925 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 1.261 121.717 120.400 0.093 0.000 2.350 924 D HA 0.061 4.701 4.640 -0.000 0.000 0.216 924 D C 1.245 177.567 176.300 0.037 0.000 0.968 924 D CA 0.632 54.670 54.000 0.063 0.000 0.894 924 D CB -0.230 40.610 40.800 0.066 0.000 0.909 924 D HN 0.390 nan 8.370 nan 0.000 0.520 925 M N -0.376 119.257 119.600 0.055 0.000 2.568 925 M HA 0.065 4.545 4.480 -0.000 0.000 0.226 925 M C -0.114 176.215 176.300 0.049 0.000 1.148 925 M CA 0.027 55.321 55.300 -0.010 0.000 1.007 925 M CB -0.982 31.604 32.600 -0.025 0.000 1.651 925 M HN -0.023 nan 8.290 nan 0.000 0.488 926 Y N -0.442 119.824 120.300 -0.056 0.000 2.425 926 Y HA 0.476 5.026 4.550 -0.000 0.000 0.344 926 Y C -0.855 174.985 175.900 -0.100 0.000 0.969 926 Y CA -0.849 57.225 58.100 -0.044 0.000 1.052 926 Y CB 1.444 39.932 38.460 0.047 0.000 1.215 926 Y HN -0.111 nan 8.280 nan 0.000 0.451 927 T N 8.751 122.800 114.554 -0.842 0.000 2.801 927 T HA 0.273 4.623 4.350 -0.000 0.000 0.306 927 T C -2.651 171.224 174.700 -1.374 0.000 1.020 927 T CA -1.512 59.994 62.100 -0.989 0.000 0.948 927 T CB 0.986 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 0.082 nan 4.420 nan 0.000 0.238 928 P C -0.584 176.554 177.300 -0.270 0.000 1.714 928 P CA -0.381 62.298 63.100 -0.701 0.000 0.908 928 P CB -0.837 30.601 31.700 -0.436 0.000 1.893 929 Y N -0.400 119.805 120.300 -0.159 0.000 2.717 929 Y HA -0.098 4.452 4.550 -0.000 0.000 0.330 929 Y C 2.278 178.218 175.900 0.067 0.000 1.217 929 Y CA -0.402 57.681 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 4.041 124.161 119.914 0.344 0.000 2.278 930 V HA -0.330 3.790 4.120 -0.000 0.000 0.251 930 V C 0.628 176.887 176.094 0.274 0.000 1.062 930 V CA 1.609 64.093 62.300 0.306 0.000 1.038 930 V CB -0.534 31.504 31.823 0.359 0.000 0.646 930 V HN 0.608 nan 8.190 nan 0.000 0.447 931 F N 3.481 123.483 119.950 0.087 0.000 2.391 931 F HA 0.497 5.024 4.527 -0.000 0.000 0.359 931 F C -2.327 173.491 175.800 0.029 0.000 1.122 931 F CA -3.151 54.853 58.000 0.007 0.000 1.120 931 F CB 0.945 39.855 39.000 -0.151 0.000 1.142 931 F HN 0.001 nan 8.300 nan 0.000 0.483 932 P HA 0.349 nan 4.420 nan 0.000 0.278 932 P C -1.224 175.855 177.300 -0.368 0.000 1.238 932 P CA -0.191 62.716 63.100 -0.321 0.000 0.794 932 P CB 1.695 33.226 31.700 -0.281 0.000 0.955 933 S N -0.229 115.420 115.700 -0.085 0.000 2.683 933 S HA 0.379 4.849 4.470 -0.000 0.000 0.269 933 S C -0.837 173.780 174.600 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 63.457 63.200 0.050 0.000 1.169 933 S HN 0.357 nan 8.310 nan 0.000 0.490 934 E N 1.303 121.524 120.200 0.034 0.000 2.652 934 E HA 0.323 4.673 4.350 -0.000 0.000 0.255 934 E C -0.086 176.572 176.600 0.096 0.000 0.952 934 E CA 1.091 57.529 56.400 0.063 0.000 0.947 934 E CB -0.493 29.262 29.700 0.092 0.000 0.912 934 E HN 0.788 nan 8.360 nan 0.000 0.489 935 N N 1.588 120.377 118.700 0.148 0.000 3.106 935 N HA 0.523 5.263 4.740 -0.000 0.000 0.253 935 N C 0.384 175.959 175.510 0.108 0.000 1.506 935 N CA -0.659 52.520 53.050 0.215 0.000 0.876 935 N CB 0.592 39.207 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 -0.108 174.559 174.900 -0.389 0.000 0.975 936 G CA 0.557 45.567 45.100 -0.150 0.000 0.644 936 G HN 0.693 nan 8.290 nan 0.000 0.537 937 L N 1.210 122.139 121.223 -0.488 0.000 2.529 937 L HA 0.435 4.775 4.340 -0.000 0.000 0.287 937 L C 0.831 177.137 176.870 -0.940 0.000 1.241 937 L CA 0.528 54.836 54.840 -0.888 0.000 0.857 937 L CB 0.365 41.587 42.059 -1.395 0.000 1.113 937 L HN 0.352 nan 8.230 nan 0.000 0.504 938 R N 3.882 123.737 120.500 -1.076 0.000 2.575 938 R HA 0.488 4.828 4.340 -0.000 0.000 0.293 938 R C -1.154 174.767 176.300 -0.631 0.000 0.983 938 R CA -0.685 54.898 56.100 -0.862 0.000 0.887 938 R CB 0.776 30.538 30.300 -0.896 0.000 1.184 938 R HN 0.569 nan 8.270 nan 0.000 0.445 939 C N -0.225 118.856 119.300 -0.365 0.000 2.354 939 C HA 0.687 5.147 4.460 -0.000 0.000 0.381 939 C C 1.315 176.273 174.990 -0.054 0.000 1.240 939 C CA 0.225 59.119 59.018 -0.208 0.000 2.089 939 C CB 1.098 28.743 27.740 -0.158 0.000 2.234 939 C HN 1.065 nan 8.230 nan 0.000 0.544 940 G N 2.013 110.793 108.800 -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 0.047 0.000 1.026 940 G HN 0.812 nan 8.290 nan 0.000 0.512 941 T N -0.296 114.179 114.554 -0.131 0.000 2.829 941 T HA 0.543 4.893 4.350 -0.000 0.000 0.282 941 T C 1.431 175.807 174.700 -0.539 0.000 0.990 941 T CA -0.603 61.363 62.100 -0.222 0.000 1.028 941 T CB 1.543 70.250 68.868 -0.267 0.000 0.951 941 T HN 0.343 nan 8.240 nan 0.000 0.460 942 R N 1.158 121.567 120.500 -0.151 0.000 2.279 942 R HA 0.267 4.607 4.340 -0.000 0.000 0.195 942 R C 0.439 176.798 176.300 0.099 0.000 0.905 942 R CA 0.144 56.227 56.100 -0.029 0.000 1.044 942 R CB 0.909 31.313 30.300 0.173 0.000 1.056 942 R HN 0.614 nan 8.270 nan 0.000 0.535 943 E N 1.017 121.292 120.200 0.125 0.000 2.321 943 E HA 0.282 4.632 4.350 -0.000 0.000 0.281 943 E C -2.022 174.746 176.600 0.281 0.000 0.910 943 E CA -0.591 55.958 56.400 0.249 0.000 0.770 943 E CB 1.797 31.607 29.700 0.183 0.000 1.225 943 E HN -0.103 nan 8.360 nan 0.000 0.417 944 L N 4.068 125.511 121.223 0.367 0.000 2.410 944 L HA 0.608 4.948 4.340 -0.000 0.000 0.270 944 L C -1.923 175.182 176.870 0.391 0.000 0.983 944 L CA -0.414 54.594 54.840 0.279 0.000 0.822 944 L CB 1.875 43.941 42.059 0.011 0.000 1.285 944 L HN 0.433 nan 8.230 nan 0.000 0.409 945 N N 4.263 123.158 118.700 0.325 0.000 2.399 945 N HA 0.423 5.163 4.740 -0.000 0.000 0.284 945 N C -2.037 173.725 175.510 0.419 0.000 1.025 945 N CA -0.207 53.038 53.050 0.325 0.000 0.885 945 N CB 2.024 40.640 38.487 0.214 0.000 1.339 945 N HN 0.619 nan 8.380 nan 0.000 0.487 946 Y N 1.389 121.859 120.300 0.284 0.000 2.323 946 Y HA 0.438 4.988 4.550 -0.000 0.000 0.322 946 Y C 0.562 176.602 175.900 0.233 0.000 1.133 946 Y CA 0.178 58.429 58.100 0.253 0.000 1.093 946 Y CB 0.599 39.239 38.460 0.300 0.000 1.203 946 Y HN 0.825 nan 8.280 nan 0.000 0.427 947 G N 6.337 115.048 108.800 -0.148 0.000 2.527 947 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.268 947 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.268 947 G C -1.884 172.955 174.900 -0.102 0.000 1.175 947 G CA -0.031 44.961 45.100 -0.181 0.000 0.962 947 G HN 0.547 nan 8.290 nan 0.000 0.560 948 P HA 0.144 nan 4.420 nan 0.000 0.241 948 P C 0.458 177.513 177.300 -0.408 0.000 1.191 948 P CA 0.968 63.889 63.100 -0.299 0.000 0.771 948 P CB -0.058 31.388 31.700 -0.424 0.000 0.929 949 H N -0.274 118.748 119.070 -0.080 0.000 2.505 949 H HA 0.527 5.083 4.556 -0.000 0.000 0.351 949 H C 0.315 175.422 175.328 -0.368 0.000 1.151 949 H CA -0.124 55.761 56.048 -0.272 0.000 1.339 949 H CB 0.829 30.243 29.762 -0.580 0.000 1.483 949 H HN -0.067 nan 8.280 nan 0.000 0.558 950 Q N 2.157 121.704 119.800 -0.423 0.000 2.284 950 Q HA 0.258 4.598 4.340 -0.000 0.000 0.269 950 Q C -1.955 173.803 176.000 -0.404 0.000 1.026 950 Q CA -0.752 54.901 55.803 -0.249 0.000 0.831 950 Q CB 1.755 30.484 28.738 -0.015 0.000 1.322 950 Q HN 0.625 nan 8.270 nan 0.000 0.419 951 W N 3.666 124.971 121.300 0.009 0.000 2.819 951 W HA 0.622 5.282 4.660 -0.000 0.000 0.337 951 W C -0.560 176.058 176.519 0.164 0.000 1.077 951 W CA -0.800 56.518 57.345 -0.046 0.000 1.226 951 W CB 2.205 31.451 29.460 -0.357 0.000 1.419 951 W HN 0.651 nan 8.180 nan 0.000 0.502 952 R N 0.972 121.731 120.500 0.430 0.000 2.725 952 R HA 0.877 5.217 4.340 -0.000 0.000 0.277 952 R C 0.078 176.663 176.300 0.475 0.000 0.987 952 R CA -0.685 55.682 56.100 0.446 0.000 0.901 952 R CB 2.298 32.770 30.300 0.287 0.000 1.207 952 R HN 0.690 nan 8.270 nan 0.000 0.463 953 G N 0.629 109.744 108.800 0.524 0.000 2.534 953 G HA2 0.042 4.002 3.960 -0.000 0.000 0.142 953 G HA3 0.042 4.002 3.960 -0.000 0.000 0.142 953 G C -1.703 173.380 174.900 0.304 0.000 1.178 953 G CA -0.398 44.964 45.100 0.436 0.000 1.037 953 G HN 0.512 nan 8.290 nan 0.000 0.474 954 D N 0.485 121.087 120.400 0.336 0.000 2.330 954 D HA 0.586 5.226 4.640 -0.000 0.000 0.249 954 D C -0.893 175.452 176.300 0.074 0.000 1.306 954 D CA -0.264 53.781 54.000 0.075 0.000 0.956 954 D CB 0.680 41.529 40.800 0.082 0.000 1.261 954 D HN 0.440 nan 8.370 nan 0.000 0.544 955 F N 0.019 119.967 119.950 -0.003 0.000 2.950 955 F HA 0.619 5.146 4.527 -0.000 0.000 0.327 955 F C -1.085 174.682 175.800 -0.055 0.000 1.197 955 F CA -1.012 56.926 58.000 -0.103 0.000 0.954 955 F CB 0.707 39.633 39.000 -0.124 0.000 1.442 955 F HN -0.155 nan 8.300 nan 0.000 0.509 956 Q N 1.352 121.237 119.800 0.141 0.000 2.413 956 Q HA 0.677 5.017 4.340 -0.000 0.000 0.276 956 Q C -1.409 174.679 176.000 0.146 0.000 1.099 956 Q CA -0.543 55.258 55.803 -0.005 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 1.064 119.634 118.700 -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 2.497 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 0.246 120.782 120.570 -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 0.090 61.335 61.300 -0.090 0.000 1.050 959 I CB 1.341 39.228 38.000 -0.187 0.000 1.301 959 I HN 1.089 nan 8.210 nan 0.000 0.425 960 S N 6.421 122.096 115.700 -0.042 0.000 2.714 960 S HA 0.531 5.001 4.470 -0.000 0.000 0.280 960 S C -0.438 174.106 174.600 -0.094 0.000 1.200 960 S CA -0.949 57.224 58.200 -0.044 0.000 0.900 960 S CB 1.599 64.843 63.200 0.073 0.000 1.235 960 S HN 0.635 nan 8.310 nan 0.000 0.512 961 R N 0.032 120.304 120.500 -0.381 0.000 2.466 961 R HA 0.301 4.641 4.340 -0.000 0.000 0.279 961 R C -1.071 174.882 176.300 -0.579 0.000 0.976 961 R CA 0.166 55.969 56.100 -0.495 0.000 1.081 961 R CB -0.625 29.226 30.300 -0.748 0.000 1.215 961 R HN 0.626 nan 8.270 nan 0.000 0.546 962 Y N 0.160 120.463 120.300 0.005 0.000 2.391 962 Y HA 0.237 4.787 4.550 -0.000 0.000 0.341 962 Y C 0.737 176.404 175.900 -0.390 0.000 0.965 962 Y CA -1.177 56.833 58.100 -0.149 0.000 1.067 962 Y CB 1.499 39.815 38.460 -0.241 0.000 1.199 962 Y HN -0.083 nan 8.280 nan 0.000 0.450 963 S N 1.606 117.000 115.700 -0.509 0.000 2.593 963 S HA 0.066 4.536 4.470 -0.000 0.000 0.269 963 S C 0.850 175.147 174.600 -0.505 0.000 1.334 963 S CA -0.658 56.901 58.200 -1.069 0.000 1.015 963 S CB 1.146 63.763 63.200 -0.972 0.000 0.912 963 S HN 0.767 nan 8.310 nan 0.000 0.541 964 Q N 0.572 120.070 119.800 -0.503 0.000 2.124 964 Q HA -0.185 4.155 4.340 -0.000 0.000 0.202 964 Q C 2.177 178.058 176.000 -0.198 0.000 0.977 964 Q CA 1.640 57.288 55.803 -0.260 0.000 0.850 964 Q CB -0.440 28.181 28.738 -0.195 0.000 0.901 964 Q HN 0.924 nan 8.270 nan 0.000 0.429 965 Q N 0.716 120.374 119.800 -0.236 0.000 2.084 965 Q HA -0.208 4.132 4.340 -0.000 0.000 0.202 965 Q C 2.063 177.986 176.000 -0.127 0.000 0.978 965 Q CA 1.302 57.017 55.803 -0.146 0.000 0.844 965 Q CB 0.036 28.706 28.738 -0.114 0.000 0.898 965 Q HN 0.415 nan 8.270 nan 0.000 0.426 966 Q N 0.111 119.820 119.800 -0.151 0.000 2.030 966 Q HA -0.177 4.163 4.340 -0.000 0.000 0.204 966 Q C 2.360 178.273 176.000 -0.144 0.000 0.986 966 Q CA 1.487 57.218 55.803 -0.121 0.000 0.843 966 Q CB -0.133 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 1.341 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 -0.463 119.057 119.600 -0.132 0.000 2.296 968 M HA -0.183 4.297 4.480 -0.000 0.000 0.265 968 M C 1.682 177.918 176.300 -0.108 0.000 1.064 968 M CA 1.678 56.912 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 -0.219 176.339 176.600 -0.070 0.000 1.028 969 E CA 0.156 56.515 56.400 -0.069 0.000 0.876 969 E CB 0.468 30.141 29.700 -0.045 0.000 0.885 969 E HN 0.337 nan 8.360 nan 0.000 0.500 970 T N 0.556 115.037 114.554 -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 1.619 70.394 68.868 -0.154 0.000 0.932 970 T HN 0.039 nan 8.240 nan 0.000 0.469 971 S N 1.872 117.556 115.700 -0.027 0.000 2.501 971 S HA 0.071 4.541 4.470 -0.000 0.000 0.220 971 S C 0.275 174.907 174.600 0.054 0.000 0.997 971 S CA 0.253 58.482 58.200 0.049 0.000 0.919 971 S CB -0.198 63.199 63.200 0.327 0.000 0.778 971 S HN 0.744 nan 8.310 nan 0.000 0.523 972 H N 0.382 119.440 119.070 -0.019 0.000 2.806 972 H HA 0.512 5.068 4.556 -0.000 0.000 0.367 972 H C 0.939 176.265 175.328 -0.002 0.000 1.136 972 H CA -0.740 55.377 56.048 0.114 0.000 1.178 972 H CB 1.509 31.411 29.762 0.232 0.000 1.718 972 H HN 0.108 nan 8.280 nan 0.000 0.540 973 R N 1.410 122.049 120.500 0.231 0.000 2.117 973 R HA -0.219 4.121 4.340 -0.000 0.000 0.243 973 R C 1.403 177.741 176.300 0.064 0.000 1.143 973 R CA 2.128 58.294 56.100 0.109 0.000 0.968 973 R CB -0.629 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 1.621 176.882 175.328 -0.111 0.000 1.066 974 H CA 1.154 57.168 56.048 -0.058 0.000 1.305 974 H CB -0.281 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 0.192 4.532 4.340 -0.000 0.000 0.230 975 L C 0.525 177.304 176.870 -0.152 0.000 1.141 975 L CA -0.077 54.501 54.840 -0.438 0.000 0.877 975 L CB -0.115 41.686 42.059 -0.430 0.000 1.009 975 L HN 0.036 nan 8.230 nan 0.000 0.447 976 L N 0.343 121.470 121.223 -0.159 0.000 2.399 976 L HA 0.323 4.663 4.340 -0.000 0.000 0.266 976 L C 0.109 176.999 176.870 0.033 0.000 1.114 976 L CA -0.459 54.284 54.840 -0.162 0.000 0.804 976 L CB 0.687 42.458 42.059 -0.481 0.000 1.146 976 L HN 0.124 nan 8.230 nan 0.000 0.451 977 H N 0.587 119.742 119.070 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 54.909 56.048 0.145 0.000 1.178 977 H CB 1.301 31.087 29.762 0.039 0.000 1.718 977 H HN 0.714 nan 8.280 nan 0.000 0.540 978 A N 2.838 125.691 122.820 0.055 0.000 2.531 978 A HA 0.095 4.415 4.320 -0.000 0.000 0.236 978 A C 0.368 177.921 177.584 -0.052 0.000 1.062 978 A CA -0.070 51.822 52.037 -0.241 0.000 0.760 978 A CB -0.009 18.859 19.000 -0.219 0.000 0.995 978 A HN 0.815 nan 8.150 nan 0.000 0.501 979 E N 0.498 120.622 120.200 -0.127 0.000 2.292 979 E HA 0.131 4.481 4.350 -0.000 0.000 0.258 979 E C 0.709 177.298 176.600 -0.019 0.000 1.115 979 E CA -0.699 55.728 56.400 0.044 0.000 0.929 979 E CB 0.658 30.480 29.700 0.204 0.000 1.161 979 E HN 0.826 nan 8.360 nan 0.000 0.453 980 E N 0.275 120.468 120.200 -0.012 0.000 2.065 980 E HA -0.217 4.133 4.350 -0.000 0.000 0.201 980 E C 0.922 177.453 176.600 -0.114 0.000 1.016 980 E CA 1.764 58.126 56.400 -0.063 0.000 0.818 980 E CB 0.016 29.684 29.700 -0.054 0.000 0.749 980 E HN 0.570 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 -0.643 174.152 174.900 -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 0.412 114.852 114.554 -0.189 0.000 2.841 982 T HA 0.397 4.747 4.350 -0.000 0.000 0.285 982 T C -1.582 172.970 174.700 -0.245 0.000 0.991 982 T CA -0.120 61.900 62.100 -0.134 0.000 0.966 982 T CB 1.651 70.545 68.868 0.044 0.000 0.962 982 T HN 0.322 nan 8.240 nan 0.000 0.438 983 W N 3.003 124.216 121.300 -0.145 0.000 2.351 983 W HA 0.636 5.296 4.660 -0.000 0.000 0.311 983 W C -0.414 175.989 176.519 -0.194 0.000 1.168 983 W CA -0.740 56.518 57.345 -0.146 0.000 1.200 983 W CB 0.916 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 5.492 126.779 121.223 0.106 0.000 2.381 984 L HA 0.485 4.825 4.340 -0.000 0.000 0.274 984 L C -1.071 175.733 176.870 -0.110 0.000 0.988 984 L CA -0.533 54.237 54.840 -0.117 0.000 0.824 984 L CB 1.023 42.882 42.059 -0.333 0.000 1.263 984 L HN 0.329 nan 8.230 nan 0.000 0.410 985 N N 6.911 125.528 118.700 -0.139 0.000 2.443 985 N HA 0.497 5.237 4.740 -0.000 0.000 0.269 985 N C -1.214 174.180 175.510 -0.193 0.000 0.985 985 N CA -0.294 52.664 53.050 -0.154 0.000 0.921 985 N CB 2.309 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 60.500 61.300 -0.309 0.000 1.142 986 I CB 1.602 39.283 38.000 -0.533 0.000 1.289 986 I HN 0.140 nan 8.210 nan 0.000 0.453 987 D N 4.604 124.875 120.400 -0.215 0.000 2.217 987 D HA 0.307 4.947 4.640 -0.000 0.000 0.243 987 D C 1.020 177.052 176.300 -0.448 0.000 1.054 987 D CA -0.192 53.629 54.000 -0.299 0.000 0.838 987 D CB 2.553 43.270 40.800 -0.138 0.000 1.162 987 D HN 0.709 nan 8.370 nan 0.000 0.472 988 G N 1.248 109.507 108.800 -0.901 0.000 2.430 988 G HA2 0.036 3.996 3.960 -0.000 0.000 0.216 988 G HA3 0.036 3.996 3.960 -0.000 0.000 0.216 988 G C 0.063 174.103 174.900 -1.434 0.000 1.146 988 G CA 0.489 44.775 45.100 -1.357 0.000 0.793 988 G HN 0.386 nan 8.290 nan 0.000 0.537 989 F N -1.809 117.934 119.950 -0.345 0.000 2.654 989 F HA 0.544 5.071 4.527 -0.000 0.000 0.308 989 F C -0.695 175.008 175.800 -0.161 0.000 1.108 989 F CA -1.216 56.665 58.000 -0.199 0.000 0.957 989 F CB 1.977 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 2.540 121.628 119.070 0.029 0.000 2.954 990 H HA 0.387 4.943 4.556 -0.000 0.000 0.361 990 H C -1.126 174.227 175.328 0.041 0.000 1.122 990 H CA -0.745 55.290 56.048 -0.022 0.000 1.217 990 H CB 2.394 32.123 29.762 -0.056 0.000 1.776 990 H HN 0.864 nan 8.280 nan 0.000 0.533 991 M N 2.764 122.327 119.600 -0.062 0.000 2.250 991 M HA 0.249 4.729 4.480 -0.000 0.000 0.325 991 M C 0.556 176.977 176.300 0.201 0.000 1.084 991 M CA 0.480 55.807 55.300 0.044 0.000 1.161 991 M CB 0.354 32.875 32.600 -0.131 0.000 1.481 991 M HN 0.728 nan 8.290 nan 0.000 0.449 992 G N 2.899 111.791 108.800 0.154 0.000 2.684 992 G HA2 0.325 4.285 3.960 -0.000 0.000 0.255 992 G HA3 0.325 4.285 3.960 -0.000 0.000 0.255 992 G C 0.549 175.428 174.900 -0.036 0.000 1.219 992 G CA -0.285 44.833 45.100 0.030 0.000 0.901 992 G HN 0.993 nan 8.290 nan 0.000 0.548 993 I N -2.464 118.033 120.570 -0.122 0.000 3.939 993 I HA 0.443 4.613 4.170 -0.000 0.000 0.313 993 I C 1.137 177.182 176.117 -0.119 0.000 1.274 993 I CA 0.502 61.703 61.300 -0.165 0.000 1.301 993 I CB -0.362 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 1.673 110.419 108.800 -0.090 0.000 2.645 994 G HA2 0.038 3.998 3.960 -0.000 0.000 0.239 994 G HA3 0.038 3.998 3.960 -0.000 0.000 0.239 994 G C 0.571 175.457 174.900 -0.022 0.000 1.331 994 G CA 0.124 45.208 45.100 -0.026 0.000 0.890 994 G HN 1.412 nan 8.290 nan 0.000 0.572 995 G N -2.289 106.510 108.800 -0.001 0.000 2.559 995 G HA2 0.045 4.005 3.960 -0.000 0.000 0.202 995 G HA3 0.045 4.005 3.960 -0.000 0.000 0.202 995 G C 0.586 175.514 174.900 0.048 0.000 0.992 995 G CA 0.917 46.022 45.100 0.008 0.000 0.764 995 G HN 0.969 nan 8.290 nan 0.000 0.525 996 D N 1.224 121.666 120.400 0.070 0.000 2.228 996 D HA 0.132 4.772 4.640 -0.000 0.000 0.203 996 D C 0.947 177.240 176.300 -0.012 0.000 0.988 996 D CA 2.111 56.207 54.000 0.160 0.000 0.864 996 D CB 0.129 41.040 40.800 0.184 0.000 0.928 996 D HN 0.846 nan 8.370 nan 0.000 0.469 997 D N -3.801 116.380 120.400 -0.366 0.000 2.694 997 D HA 0.265 4.905 4.640 -0.000 0.000 0.260 997 D C -0.873 174.841 176.300 -0.977 0.000 1.250 997 D CA -0.732 52.585 54.000 -1.138 0.000 0.763 997 D CB 0.761 40.440 40.800 -1.868 0.000 1.311 997 D HN -0.293 nan 8.370 nan 0.000 0.420 998 S N -0.142 114.767 115.700 -1.318 0.000 2.588 998 S HA 0.255 4.725 4.470 -0.000 0.000 0.245 998 S C -0.622 174.041 174.600 0.106 0.000 1.021 998 S CA -0.715 57.342 58.200 -0.239 0.000 1.006 998 S CB -0.618 62.751 63.200 0.282 0.000 0.830 998 S HN 0.597 nan 8.310 nan 0.000 0.468 999 W N 1.117 122.349 121.300 -0.113 0.000 1.832 999 W HA 0.597 5.257 4.660 -0.000 0.000 0.297 999 W C -0.059 176.399 176.519 -0.102 0.000 0.891 999 W CA -0.704 56.569 57.345 -0.120 0.000 2.000 999 W CB -0.577 28.769 29.460 -0.189 0.000 1.081 999 W HN 0.175 nan 8.180 nan 0.000 0.499 1000 S N -1.289 114.310 115.700 -0.167 0.000 2.595 1000 S HA 0.583 5.053 4.470 -0.000 0.000 0.270 1000 S C -3.255 171.275 174.600 -0.117 0.000 1.145 1000 S CA -1.480 56.640 58.200 -0.134 0.000 0.825 1000 S CB 1.511 64.634 63.200 -0.129 0.000 1.107 1000 S HN -0.195 nan 8.310 nan 0.000 0.461 1001 P HA 0.270 nan 4.420 nan 0.000 0.270 1001 P C 0.260 177.590 177.300 0.050 0.000 1.242 1001 P CA -0.109 62.997 63.100 0.010 0.000 0.768 1001 P CB 0.700 32.300 31.700 -0.167 0.000 0.820 1002 S N 1.064 116.826 115.700 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 4.145 124.177 119.914 0.197 0.000 2.385 1003 V HA 0.457 4.577 4.120 -0.000 0.000 0.269 1003 V C 0.790 177.042 176.094 0.264 0.000 1.043 1003 V CA -0.394 62.025 62.300 0.197 0.000 0.906 1003 V CB 0.762 32.667 31.823 0.137 0.000 0.995 1003 V HN 0.676 nan 8.190 nan 0.000 0.467 1004 S N 4.673 120.558 115.700 0.309 0.000 2.572 1004 S HA 0.330 4.800 4.470 -0.000 0.000 0.279 1004 S C 1.506 176.267 174.600 0.267 0.000 1.341 1004 S CA 0.033 58.410 58.200 0.295 0.000 1.043 1004 S CB 1.400 64.741 63.200 0.235 0.000 0.887 1004 S HN 1.063 nan 8.310 nan 0.000 0.516 1005 A N 2.143 125.058 122.820 0.158 0.000 1.958 1005 A HA -0.188 4.132 4.320 -0.000 0.000 0.221 1005 A C 1.915 179.508 177.584 0.016 0.000 1.178 1005 A CA 1.966 54.073 52.037 0.117 0.000 0.642 1005 A CB -1.169 17.879 19.000 0.080 0.000 0.816 1005 A HN 0.994 nan 8.150 nan 0.000 0.453 1006 E N -1.212 118.900 120.200 -0.147 0.000 2.409 1006 E HA -0.085 4.265 4.350 -0.000 0.000 0.198 1006 E C 0.774 176.995 176.600 -0.632 0.000 1.024 1006 E CA 0.990 57.133 56.400 -0.428 0.000 0.861 1006 E CB -0.312 28.974 29.700 -0.690 0.000 0.788 1006 E HN 0.793 nan 8.360 nan 0.000 0.521 1007 F N 0.869 120.871 119.950 0.087 0.000 2.678 1007 F HA 0.199 4.726 4.527 -0.000 0.000 0.305 1007 F C 0.665 176.507 175.800 0.071 0.000 1.090 1007 F CA -0.452 57.598 58.000 0.084 0.000 1.272 1007 F CB 0.371 39.419 39.000 0.080 0.000 1.060 1007 F HN -0.160 nan 8.300 nan 0.000 0.576 1008 Q N 1.189 121.109 119.800 0.200 0.000 2.227 1008 Q HA 0.408 4.748 4.340 -0.000 0.000 0.245 1008 Q C -0.224 175.820 176.000 0.073 0.000 0.926 1008 Q CA -0.540 55.366 55.803 0.172 0.000 0.895 1008 Q CB 1.829 30.767 28.738 0.334 0.000 1.230 1008 Q HN 0.236 nan 8.270 nan 0.000 0.450 1009 L N 2.357 123.595 121.223 0.025 0.000 2.422 1009 L HA 0.117 4.457 4.340 -0.000 0.000 0.256 1009 L C 0.611 177.380 176.870 -0.167 0.000 1.202 1009 L CA -0.063 54.750 54.840 -0.045 0.000 1.119 1009 L CB -0.297 41.635 42.059 -0.211 0.000 1.383 1009 L HN 0.732 nan 8.230 nan 0.000 0.411 1010 S N -1.070 114.492 115.700 -0.230 0.000 2.539 1010 S HA 0.116 4.586 4.470 -0.000 0.000 0.221 1010 S C 1.789 176.292 174.600 -0.161 0.000 0.987 1010 S CA 0.219 58.112 58.200 -0.512 0.000 0.929 1010 S CB 0.683 63.638 63.200 -0.410 0.000 0.832 1010 S HN 0.513 nan 8.310 nan 0.000 0.492 1011 A N 1.851 124.622 122.820 -0.081 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 1.628 53.488 52.037 -0.296 0.000 0.643 1011 A CB -1.400 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 -1.859 106.879 108.800 -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 0.423 175.298 174.900 -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 -0.651 119.658 120.500 -0.319 0.000 2.574 1013 R HA 0.650 4.990 4.340 -0.000 0.000 0.288 1013 R C -1.626 174.333 176.300 -0.569 0.000 1.004 1013 R CA -0.632 55.334 56.100 -0.224 0.000 0.895 1013 R CB 1.580 31.817 30.300 -0.106 0.000 1.191 1013 R HN 0.215 nan 8.270 nan 0.000 0.444 1014 Y N 0.317 120.613 120.300 -0.006 0.000 2.477 1014 Y HA 0.377 4.927 4.550 -0.000 0.000 0.347 1014 Y C -0.368 175.704 175.900 0.287 0.000 0.981 1014 Y CA -0.900 57.192 58.100 -0.014 0.000 1.033 1014 Y CB 2.168 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 2.600 121.970 119.070 0.501 0.000 2.771 1015 H HA 0.643 5.199 4.556 -0.000 0.000 0.361 1015 H C -1.743 173.956 175.328 0.618 0.000 1.108 1015 H CA -0.981 55.327 56.048 0.434 0.000 1.201 1015 H CB 1.321 31.228 29.762 0.242 0.000 1.681 1015 H HN 0.597 nan 8.280 nan 0.000 0.534 1016 Y N 1.277 121.278 120.300 -0.499 0.000 2.656 1016 Y HA 0.526 5.076 4.550 -0.000 0.000 0.334 1016 Y C -2.008 173.684 175.900 -0.346 0.000 1.179 1016 Y CA -1.096 56.826 58.100 -0.297 0.000 1.050 1016 Y CB 1.309 39.712 38.460 -0.095 0.000 1.308 1016 Y HN 0.701 nan 8.280 nan 0.000 0.456 1017 Q N 2.768 122.542 119.800 -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 32.407 28.738 0.031 0.000 1.418 1017 Q HN 0.770 nan 8.270 nan 0.000 0.411 1018 L N 0.823 122.094 121.223 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 1.427 121.481 119.914 0.233 0.000 2.531 1019 V HA 0.483 4.603 4.120 -0.000 0.000 0.301 1019 V C -1.040 175.250 176.094 0.326 0.000 1.034 1019 V CA -0.452 62.003 62.300 0.257 0.000 0.865 1019 V CB 2.136 34.082 31.823 0.205 0.000 0.995 1019 V HN 0.638 nan 8.190 nan 0.000 0.424 1023 K N 0.000 120.337 120.400 -0.105 0.000 2.780 1023 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 1023 K CA 0.000 56.245 56.287 -0.070 0.000 0.838 1023 K CB 0.000 32.468 32.500 -0.053 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543