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 1f4a_1_D DATA FIRST_RESID 3 DATA SEQUENCE ITDSLAVVLQ RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR DATA SEQUENCE SLNGEWRFAW FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN DATA SEQUENCE VTYPITVNPP FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL DATA SEQUENCE WCNGRWVGYG QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM DATA SEQUENCE WRMSGIFRDV SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD DATA SEQUENCE YLRVTVSLWQ GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS DATA SEQUENCE AEIPNLYRAV VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR DATA SEQUENCE GVNRHEHHPL HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DATA SEQUENCE DRYGLYVVDE ANIETHGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS DATA SEQUENCE VIIWSLGNES GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM DATA SEQUENCE YARVDEDQPF PAVPKWSIKK WLSLPGETRP LILCEYAHAM GNSLGGFAKY DATA SEQUENCE WQAFRQYPRL QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC DATA SEQUENCE MNGLVFADRT PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL DATA SEQUENCE HWMVALDGKP LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ DATA SEQUENCE PNATAWSEAG HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFCIELG DATA SEQUENCE NKRWQFNRQS GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID DATA SEQUENCE PNAWVERWKA AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS DATA SEQUENCE RKTYRIDGSG QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP DATA SEQUENCE QENYPDRLTA ACFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR DATA SEQUENCE GDFQFNISRY SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS DATA SEQUENCE VSAEFQLSAG RYHYQLVWCQ 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 0.000 176.140 176.117 0.039 0.000 1.063 3 I CA 0.000 61.324 61.300 0.040 0.000 1.566 3 I CB 0.000 38.017 38.000 0.028 0.000 1.214 4 T N -1.675 112.906 114.554 0.045 0.000 3.169 4 T HA 0.253 4.609 4.350 0.009 0.000 0.250 4 T C 0.603 175.330 174.700 0.045 0.000 1.111 4 T CA 0.893 63.005 62.100 0.020 0.000 1.010 4 T CB -0.462 68.418 68.868 0.020 0.000 0.984 4 T HN 0.366 nan 8.240 nan 0.000 0.537 5 D N 1.625 122.105 120.400 0.134 0.000 2.407 5 D HA 0.116 4.761 4.640 0.009 0.000 0.208 5 D C 0.867 177.360 176.300 0.323 0.000 1.083 5 D CA 0.040 54.228 54.000 0.315 0.000 0.844 5 D CB 0.381 41.410 40.800 0.381 0.000 0.967 5 D HN 0.563 nan 8.370 nan 0.000 0.506 6 S N 0.336 116.114 115.700 0.131 0.000 2.560 6 S HA 0.078 4.553 4.470 0.009 0.000 0.284 6 S C 1.715 176.363 174.600 0.080 0.000 1.327 6 S CA -0.461 57.774 58.200 0.058 0.000 1.055 6 S CB 1.018 64.229 63.200 0.018 0.000 0.868 6 S HN 0.099 nan 8.310 nan 0.000 0.506 7 L N 2.436 123.671 121.223 0.020 0.000 1.997 7 L HA -0.234 4.111 4.340 0.009 0.000 0.216 7 L C 3.105 179.997 176.870 0.038 0.000 1.074 7 L CA 1.944 56.810 54.840 0.042 0.000 0.763 7 L CB -1.387 40.648 42.059 -0.040 0.000 0.890 7 L HN 0.968 nan 8.230 nan 0.000 0.434 8 A N -0.542 122.284 122.820 0.009 0.000 1.927 8 A HA -0.212 4.113 4.320 0.009 0.000 0.220 8 A C 2.339 179.920 177.584 -0.005 0.000 1.185 8 A CA 2.402 54.442 52.037 0.005 0.000 0.639 8 A CB -0.917 18.081 19.000 -0.003 0.000 0.820 8 A HN 0.241 nan 8.150 nan 0.000 0.451 9 V N -0.958 118.945 119.914 -0.019 0.000 2.273 9 V HA -0.173 3.953 4.120 0.009 0.000 0.242 9 V C 2.537 178.563 176.094 -0.113 0.000 1.035 9 V CA 1.618 63.884 62.300 -0.057 0.000 1.013 9 V CB -0.619 31.170 31.823 -0.056 0.000 0.652 9 V HN 0.368 nan 8.190 nan 0.000 0.452 10 V N 0.353 120.173 119.914 -0.157 0.000 2.220 10 V HA -0.351 3.775 4.120 0.009 0.000 0.250 10 V C 2.339 178.334 176.094 -0.165 0.000 1.053 10 V CA 2.566 64.668 62.300 -0.329 0.000 1.019 10 V CB -0.743 30.879 31.823 -0.336 0.000 0.646 10 V HN 0.468 nan 8.190 nan 0.000 0.455 11 L N 0.252 121.480 121.223 0.007 0.000 2.357 11 L HA -0.279 4.066 4.340 0.009 0.000 0.220 11 L C 2.608 179.578 176.870 0.167 0.000 1.123 11 L CA 1.952 56.937 54.840 0.240 0.000 0.782 11 L CB -0.873 41.343 42.059 0.261 0.000 0.910 11 L HN 0.597 nan 8.230 nan 0.000 0.442 12 Q N 0.611 120.424 119.800 0.022 0.000 2.084 12 Q HA -0.199 4.146 4.340 0.009 0.000 0.202 12 Q C 2.214 178.158 176.000 -0.094 0.000 0.978 12 Q CA 1.499 57.287 55.803 -0.025 0.000 0.844 12 Q CB -0.197 28.512 28.738 -0.048 0.000 0.898 12 Q HN 0.198 nan 8.270 nan 0.000 0.426 13 R N 0.515 120.937 120.500 -0.130 0.000 2.237 13 R HA 0.044 4.389 4.340 0.009 0.000 0.219 13 R C 0.129 176.248 176.300 -0.302 0.000 1.080 13 R CA 0.857 56.848 56.100 -0.183 0.000 0.995 13 R CB -0.230 29.961 30.300 -0.181 0.000 0.875 13 R HN 0.412 nan 8.270 nan 0.000 0.462 14 R N 1.155 121.376 120.500 -0.464 0.000 3.188 14 R HA -0.149 4.196 4.340 0.009 0.000 0.247 14 R C -0.055 175.740 176.300 -0.841 0.000 0.918 14 R CA 0.578 55.995 56.100 -1.140 0.000 0.629 14 R CB -1.287 28.444 30.300 -0.949 0.000 1.087 14 R HN 0.337 nan 8.270 nan 0.000 0.462 15 D N -0.111 119.991 120.400 -0.497 0.000 2.221 15 D HA -0.187 4.458 4.640 0.009 0.000 0.204 15 D C 1.617 177.817 176.300 -0.166 0.000 0.982 15 D CA 1.801 55.568 54.000 -0.388 0.000 0.857 15 D CB -0.120 40.299 40.800 -0.636 0.000 0.934 15 D HN 0.747 nan 8.370 nan 0.000 0.475 16 W N 1.379 122.677 121.300 -0.004 0.000 3.204 16 W HA 0.206 4.871 4.660 0.008 0.000 0.249 16 W C 0.593 177.210 176.519 0.164 0.000 1.322 16 W CA -0.294 57.175 57.345 0.207 0.000 1.593 16 W CB -0.190 29.431 29.460 0.267 0.000 1.122 16 W HN -0.212 nan 8.180 nan 0.000 0.710 17 E N 1.279 121.303 120.200 -0.293 0.000 3.385 17 E HA 0.056 4.411 4.350 0.009 0.000 0.206 17 E C -0.879 175.583 176.600 -0.230 0.000 0.997 17 E CA -0.244 56.037 56.400 -0.198 0.000 1.278 17 E CB -0.245 29.313 29.700 -0.237 0.000 1.165 17 E HN 0.068 nan 8.360 nan 0.000 0.452 18 N N 0.584 119.187 118.700 -0.161 0.000 2.812 18 N HA 0.092 4.837 4.740 0.009 0.000 0.262 18 N C -2.503 172.889 175.510 -0.196 0.000 1.241 18 N CA -1.488 51.434 53.050 -0.214 0.000 0.854 18 N CB 1.286 39.647 38.487 -0.211 0.000 1.506 18 N HN -0.180 nan 8.380 nan 0.000 0.576 19 P HA 0.078 nan 4.420 nan 0.000 0.231 19 P C 1.027 178.090 177.300 -0.395 0.000 1.158 19 P CA 0.687 63.488 63.100 -0.499 0.000 0.763 19 P CB 0.074 31.039 31.700 -1.225 0.000 0.805 20 G N -0.768 107.848 108.800 -0.306 0.000 2.880 20 G HA2 0.111 4.076 3.960 0.009 0.000 0.209 20 G HA3 0.111 4.076 3.960 0.009 0.000 0.209 20 G C 0.141 174.964 174.900 -0.128 0.000 1.157 20 G CA 0.143 45.111 45.100 -0.220 0.000 0.779 20 G HN 0.212 nan 8.290 nan 0.000 0.539 21 V N 1.620 121.482 119.914 -0.088 0.000 2.357 21 V HA 0.280 4.405 4.120 0.009 0.000 0.281 21 V C 0.820 176.971 176.094 0.095 0.000 1.015 21 V CA 0.049 62.348 62.300 -0.001 0.000 0.827 21 V CB 1.317 33.129 31.823 -0.019 0.000 1.018 21 V HN 0.326 nan 8.190 nan 0.000 0.432 22 T N 0.904 115.499 114.554 0.068 0.000 2.990 22 T HA 0.313 4.668 4.350 0.009 0.000 0.250 22 T C 0.309 175.032 174.700 0.039 0.000 1.041 22 T CA 0.137 62.271 62.100 0.057 0.000 1.010 22 T CB 0.345 69.205 68.868 -0.014 0.000 1.003 22 T HN 0.670 nan 8.240 nan 0.000 0.499 23 Q N 0.116 119.979 119.800 0.105 0.000 2.633 23 Q HA 0.699 5.044 4.340 0.009 0.000 0.289 23 Q C -2.353 173.755 176.000 0.180 0.000 0.940 23 Q CA -1.176 54.681 55.803 0.091 0.000 0.785 23 Q CB 0.899 29.622 28.738 -0.026 0.000 1.467 23 Q HN 0.025 nan 8.270 nan 0.000 0.401 24 L N 2.551 123.905 121.223 0.218 0.000 2.482 24 L HA 0.551 4.896 4.340 0.009 0.000 0.269 24 L C -0.773 176.201 176.870 0.173 0.000 0.967 24 L CA -0.127 54.850 54.840 0.229 0.000 0.851 24 L CB 1.293 43.597 42.059 0.407 0.000 1.242 24 L HN 0.888 nan 8.230 nan 0.000 0.404 25 N N 1.234 120.010 118.700 0.126 0.000 2.782 25 N HA -0.218 4.527 4.740 0.009 0.000 0.251 25 N C 0.407 176.000 175.510 0.137 0.000 1.101 25 N CA 0.688 53.810 53.050 0.119 0.000 0.764 25 N CB -0.694 37.830 38.487 0.061 0.000 1.122 25 N HN 0.651 nan 8.380 nan 0.000 0.561 26 R N 0.980 121.466 120.500 -0.023 0.000 2.357 26 R HA 0.445 4.790 4.340 0.009 0.000 0.296 26 R C 0.679 176.847 176.300 -0.220 0.000 1.052 26 R CA -0.478 55.404 56.100 -0.365 0.000 0.988 26 R CB 0.634 30.698 30.300 -0.394 0.000 1.025 26 R HN 0.113 nan 8.270 nan 0.000 0.469 27 L N 2.844 123.916 121.223 -0.251 0.000 2.474 27 L HA 0.255 4.600 4.340 0.009 0.000 0.259 27 L C 0.805 177.628 176.870 -0.077 0.000 1.232 27 L CA -0.426 54.353 54.840 -0.102 0.000 0.821 27 L CB 0.389 42.416 42.059 -0.052 0.000 1.108 27 L HN 0.766 nan 8.230 nan 0.000 0.495 28 A N 0.858 123.672 122.820 -0.009 0.000 2.366 28 A HA 0.550 4.875 4.320 0.009 0.000 0.249 28 A C 0.210 177.828 177.584 0.056 0.000 1.084 28 A CA 0.022 52.065 52.037 0.010 0.000 0.794 28 A CB 0.296 19.322 19.000 0.044 0.000 1.034 28 A HN 0.794 nan 8.150 nan 0.000 0.491 29 A N 0.469 123.282 122.820 -0.011 0.000 2.304 29 A HA 0.721 5.047 4.320 0.009 0.000 0.271 29 A C 0.039 177.600 177.584 -0.039 0.000 1.091 29 A CA 0.431 52.405 52.037 -0.105 0.000 0.812 29 A CB -0.017 18.894 19.000 -0.149 0.000 1.056 29 A HN 1.872 nan 8.150 nan 0.000 0.489 30 H N -2.673 116.258 119.070 -0.231 0.000 2.904 30 H HA 0.562 5.123 4.556 0.008 0.000 0.290 30 H C -3.355 171.706 175.328 -0.445 0.000 1.437 30 H CA -1.703 54.154 56.048 -0.319 0.000 1.147 30 H CB 0.095 29.593 29.762 -0.439 0.000 1.824 30 H HN 0.401 nan 8.280 nan 0.000 0.505 31 P HA 0.188 nan 4.420 nan 0.000 0.272 31 P C -2.587 174.447 177.300 -0.444 0.000 1.240 31 P CA -1.395 61.466 63.100 -0.399 0.000 0.791 31 P CB -0.319 31.113 31.700 -0.447 0.000 0.978 32 P HA 0.070 nan 4.420 nan 0.000 0.263 32 P C -0.738 176.722 177.300 0.267 0.000 1.195 32 P CA 1.022 64.094 63.100 -0.047 0.000 0.762 32 P CB -0.080 31.657 31.700 0.061 0.000 0.799 33 F N 1.249 121.323 119.950 0.207 0.000 2.538 33 F HA 0.600 5.132 4.527 0.009 0.000 0.325 33 F C 1.011 176.782 175.800 -0.047 0.000 1.066 33 F CA -1.010 57.071 58.000 0.136 0.000 0.946 33 F CB 2.204 41.268 39.000 0.106 0.000 1.199 33 F HN 0.225 nan 8.300 nan 0.000 0.473 34 A N 0.361 123.165 122.820 -0.026 0.000 2.425 34 A HA 0.256 4.581 4.320 0.009 0.000 0.201 34 A C 0.644 177.965 177.584 -0.438 0.000 1.431 34 A CA 0.472 52.239 52.037 -0.450 0.000 1.066 34 A CB -0.016 18.188 19.000 -1.326 0.000 1.318 34 A HN 0.757 nan 8.150 nan 0.000 0.534 35 S N 0.148 115.693 115.700 -0.258 0.000 3.711 35 S HA -0.133 4.342 4.470 0.009 0.000 0.374 35 S C -0.089 174.449 174.600 -0.103 0.000 0.969 35 S CA 0.370 58.467 58.200 -0.173 0.000 1.198 35 S CB -1.619 61.461 63.200 -0.200 0.000 0.903 35 S HN 0.479 nan 8.310 nan 0.000 0.493 36 W N 1.812 123.102 121.300 -0.016 0.000 2.137 36 W HA 0.232 4.896 4.660 0.008 0.000 0.344 36 W C 1.465 177.975 176.519 -0.015 0.000 1.286 36 W CA -0.452 56.892 57.345 -0.001 0.000 1.240 36 W CB 0.248 29.707 29.460 -0.003 0.000 1.141 36 W HN 0.362 nan 8.180 nan 0.000 0.579 37 R N 1.299 121.946 120.500 0.245 0.000 2.543 37 R HA 0.065 4.410 4.340 0.009 0.000 0.323 37 R C -0.370 176.001 176.300 0.119 0.000 1.002 37 R CA -0.212 55.973 56.100 0.141 0.000 1.106 37 R CB -0.029 30.326 30.300 0.092 0.000 1.280 37 R HN 0.458 nan 8.270 nan 0.000 0.549 38 N N -0.331 118.453 118.700 0.140 0.000 2.454 38 N HA -0.016 4.730 4.740 0.009 0.000 0.291 38 N C 0.679 176.175 175.510 -0.023 0.000 1.079 38 N CA -0.138 52.945 53.050 0.055 0.000 0.893 38 N CB 1.944 40.459 38.487 0.045 0.000 1.512 38 N HN -0.132 nan 8.380 nan 0.000 0.497 39 S N 2.598 118.264 115.700 -0.056 0.000 2.387 39 S HA -0.202 4.273 4.470 0.009 0.000 0.230 39 S C 1.231 175.678 174.600 -0.254 0.000 1.035 39 S CA 1.297 59.418 58.200 -0.132 0.000 1.014 39 S CB -0.326 62.827 63.200 -0.079 0.000 0.836 39 S HN 0.697 nan 8.310 nan 0.000 0.466 40 E N 0.797 120.868 120.200 -0.214 0.000 2.106 40 E HA -0.103 4.252 4.350 0.009 0.000 0.192 40 E C 2.198 178.602 176.600 -0.328 0.000 0.984 40 E CA 1.108 57.340 56.400 -0.279 0.000 0.806 40 E CB -0.290 29.293 29.700 -0.194 0.000 0.750 40 E HN 0.756 nan 8.360 nan 0.000 0.458 41 E N 0.598 120.628 120.200 -0.283 0.000 2.077 41 E HA -0.155 4.200 4.350 0.009 0.000 0.193 41 E C 2.055 178.151 176.600 -0.840 0.000 0.989 41 E CA 0.888 57.102 56.400 -0.310 0.000 0.800 41 E CB -0.065 29.618 29.700 -0.028 0.000 0.746 41 E HN 0.161 nan 8.360 nan 0.000 0.452 42 A N 1.555 123.677 122.820 -1.163 0.000 1.877 42 A HA -0.219 4.106 4.320 0.009 0.000 0.216 42 A C 2.108 179.118 177.584 -0.956 0.000 1.186 42 A CA 1.582 52.578 52.037 -1.736 0.000 0.620 42 A CB -0.477 17.934 19.000 -0.982 0.000 0.822 42 A HN 0.082 nan 8.150 nan 0.000 0.443 43 R N -0.330 119.787 120.500 -0.639 0.000 2.096 43 R HA -0.121 4.224 4.340 0.009 0.000 0.235 43 R C 1.780 177.838 176.300 -0.403 0.000 1.127 43 R CA 1.949 57.729 56.100 -0.534 0.000 0.968 43 R CB -0.345 29.538 30.300 -0.695 0.000 0.861 43 R HN 0.635 nan 8.270 nan 0.000 0.440 44 T N -2.716 111.619 114.554 -0.364 0.000 3.122 44 T HA 0.076 4.432 4.350 0.009 0.000 0.250 44 T C 0.165 174.786 174.700 -0.131 0.000 1.067 44 T CA 0.290 62.262 62.100 -0.214 0.000 0.966 44 T CB 0.219 68.983 68.868 -0.173 0.000 1.002 44 T HN 0.284 nan 8.240 nan 0.000 0.542 45 D N 0.938 121.220 120.400 -0.197 0.000 2.870 45 D HA -0.159 4.486 4.640 0.009 0.000 0.228 45 D C 0.202 176.603 176.300 0.169 0.000 1.147 45 D CA 0.427 54.440 54.000 0.022 0.000 0.757 45 D CB -1.165 39.693 40.800 0.098 0.000 1.091 45 D HN 0.603 nan 8.370 nan 0.000 0.429 46 R N -0.154 120.417 120.500 0.119 0.000 2.738 46 R HA 0.489 4.834 4.340 0.009 0.000 0.275 46 R C -2.137 174.458 176.300 0.493 0.000 1.121 46 R CA -1.019 55.222 56.100 0.234 0.000 1.207 46 R CB 0.241 30.621 30.300 0.133 0.000 1.141 46 R HN 0.071 nan 8.270 nan 0.000 0.571 47 P HA 0.069 nan 4.420 nan 0.000 0.288 47 P C -1.109 176.301 177.300 0.184 0.000 1.267 47 P CA -0.261 62.985 63.100 0.244 0.000 0.815 47 P CB 1.589 33.374 31.700 0.142 0.000 0.989 48 S N 2.246 117.904 115.700 -0.069 0.000 2.452 48 S HA 0.060 4.535 4.470 0.009 0.000 0.284 48 S C 1.229 175.812 174.600 -0.028 0.000 1.171 48 S CA -0.456 57.622 58.200 -0.203 0.000 1.064 48 S CB 0.101 62.878 63.200 -0.706 0.000 0.967 48 S HN 0.248 nan 8.310 nan 0.000 0.484 49 Q N 3.383 123.220 119.800 0.061 0.000 2.364 49 Q HA -0.134 4.211 4.340 0.009 0.000 0.209 49 Q C 0.868 176.996 176.000 0.214 0.000 0.977 49 Q CA 1.099 56.978 55.803 0.127 0.000 0.885 49 Q CB -0.215 28.605 28.738 0.136 0.000 0.941 49 Q HN 0.742 nan 8.270 nan 0.000 0.464 50 Q N 0.176 120.049 119.800 0.121 0.000 2.444 50 Q HA 0.142 4.488 4.340 0.009 0.000 0.206 50 Q C -0.378 175.688 176.000 0.110 0.000 0.948 50 Q CA 0.228 56.095 55.803 0.106 0.000 0.946 50 Q CB 0.401 29.099 28.738 -0.067 0.000 1.027 50 Q HN 0.101 nan 8.270 nan 0.000 0.513 51 L N 0.453 121.750 121.223 0.124 0.000 2.406 51 L HA 0.442 4.787 4.340 0.009 0.000 0.270 51 L C -1.334 175.616 176.870 0.134 0.000 0.982 51 L CA -0.353 54.550 54.840 0.106 0.000 0.843 51 L CB 1.227 43.263 42.059 -0.039 0.000 1.225 51 L HN -0.135 nan 8.230 nan 0.000 0.412 52 R N 2.691 123.304 120.500 0.188 0.000 2.562 52 R HA 0.578 4.923 4.340 0.009 0.000 0.298 52 R C -0.641 175.685 176.300 0.043 0.000 0.961 52 R CA -0.707 55.457 56.100 0.107 0.000 0.881 52 R CB 2.097 32.445 30.300 0.081 0.000 1.159 52 R HN 0.644 nan 8.270 nan 0.000 0.450 53 S N 2.722 118.433 115.700 0.019 0.000 2.537 53 S HA 0.269 4.744 4.470 0.009 0.000 0.275 53 S C 0.671 175.268 174.600 -0.005 0.000 1.272 53 S CA -0.651 57.550 58.200 0.001 0.000 1.050 53 S CB 0.499 63.709 63.200 0.017 0.000 0.961 53 S HN 0.551 nan 8.310 nan 0.000 0.496 54 L N 3.807 125.024 121.223 -0.009 0.000 2.791 54 L HA 0.302 4.647 4.340 0.009 0.000 0.239 54 L C -0.021 176.999 176.870 0.250 0.000 1.203 54 L CA -0.397 54.470 54.840 0.046 0.000 1.002 54 L CB -0.566 41.478 42.059 -0.024 0.000 1.295 54 L HN 0.494 nan 8.230 nan 0.000 0.504 55 N N 1.364 120.145 118.700 0.134 0.000 2.530 55 N HA 0.561 5.306 4.740 0.009 0.000 0.273 55 N C 0.641 176.274 175.510 0.204 0.000 1.173 55 N CA 0.661 53.798 53.050 0.146 0.000 0.967 55 N CB 1.728 40.234 38.487 0.033 0.000 1.109 55 N HN 0.306 nan 8.380 nan 0.000 0.453 56 G N 0.669 109.628 108.800 0.265 0.000 2.470 56 G HA2 -0.056 3.910 3.960 0.009 0.000 0.145 56 G HA3 -0.056 3.910 3.960 0.009 0.000 0.145 56 G C -1.423 173.704 174.900 0.379 0.000 1.223 56 G CA -0.736 44.517 45.100 0.254 0.000 1.058 56 G HN 0.451 nan 8.290 nan 0.000 0.469 57 E N 0.122 120.513 120.200 0.318 0.000 2.194 57 E HA 0.477 4.832 4.350 0.009 0.000 0.284 57 E C -1.154 175.697 176.600 0.419 0.000 1.035 57 E CA -0.236 56.353 56.400 0.315 0.000 0.836 57 E CB 0.933 30.737 29.700 0.173 0.000 1.070 57 E HN 0.337 nan 8.360 nan 0.000 0.401 58 W N 1.743 123.138 121.300 0.158 0.000 2.929 58 W HA 0.416 5.082 4.660 0.009 0.000 0.345 58 W C -0.088 176.565 176.519 0.222 0.000 1.151 58 W CA -0.696 56.775 57.345 0.211 0.000 1.111 58 W CB 1.038 30.682 29.460 0.306 0.000 1.449 58 W HN 0.244 nan 8.180 nan 0.000 0.572 59 R N 1.579 122.359 120.500 0.467 0.000 2.407 59 R HA 0.627 4.972 4.340 0.009 0.000 0.303 59 R C -1.470 175.082 176.300 0.419 0.000 0.981 59 R CA -0.838 55.477 56.100 0.358 0.000 0.905 59 R CB 1.736 32.182 30.300 0.244 0.000 1.099 59 R HN 0.381 nan 8.270 nan 0.000 0.459 60 F N 0.924 120.925 119.950 0.085 0.000 2.588 60 F HA 0.673 5.205 4.527 0.009 0.000 0.310 60 F C -1.495 174.214 175.800 -0.152 0.000 1.082 60 F CA -0.629 57.287 58.000 -0.141 0.000 0.929 60 F CB 2.107 40.908 39.000 -0.332 0.000 1.254 60 F HN 0.614 nan 8.300 nan 0.000 0.455 61 A N 4.373 126.473 122.820 -1.200 0.000 2.459 61 A HA 0.511 4.836 4.320 0.009 0.000 0.296 61 A C -2.379 174.464 177.584 -1.235 0.000 1.039 61 A CA -0.484 51.019 52.037 -0.889 0.000 0.698 61 A CB 0.505 19.304 19.000 -0.335 0.000 1.261 61 A HN 0.949 nan 8.150 nan 0.000 0.405 62 W N 2.941 123.527 121.300 -1.191 0.000 2.438 62 W HA 0.759 5.424 4.660 0.008 0.000 0.324 62 W C -1.790 174.208 176.519 -0.869 0.000 1.119 62 W CA -0.249 56.541 57.345 -0.925 0.000 1.221 62 W CB 1.019 30.165 29.460 -0.525 0.000 1.253 62 W HN 0.488 nan 8.180 nan 0.000 0.555 63 F N 5.826 125.153 119.950 -1.038 0.000 2.588 63 F HA 0.337 4.869 4.527 0.008 0.000 0.310 63 F C -1.485 173.460 175.800 -1.424 0.000 1.082 63 F CA -2.637 54.853 58.000 -0.851 0.000 0.929 63 F CB 1.504 40.169 39.000 -0.558 0.000 1.254 63 F HN 0.185 nan 8.300 nan 0.000 0.455 64 P HA 0.144 nan 4.420 nan 0.000 0.237 64 P C -0.371 176.821 177.300 -0.180 0.000 1.178 64 P CA 0.768 63.619 63.100 -0.415 0.000 0.766 64 P CB 0.571 32.307 31.700 0.059 0.000 0.876 65 A N -0.563 122.157 122.820 -0.167 0.000 2.582 65 A HA 0.502 4.828 4.320 0.009 0.000 0.297 65 A C -2.423 175.070 177.584 -0.152 0.000 1.059 65 A CA -1.019 50.963 52.037 -0.092 0.000 0.705 65 A CB 0.516 19.523 19.000 0.012 0.000 1.279 65 A HN -0.292 nan 8.150 nan 0.000 0.404 66 P HA -0.228 nan 4.420 nan 0.000 0.216 66 P C 0.982 178.176 177.300 -0.177 0.000 1.150 66 P CA 1.953 64.907 63.100 -0.243 0.000 0.843 66 P CB 0.042 31.558 31.700 -0.307 0.000 0.787 67 E N 0.189 120.351 120.200 -0.063 0.000 2.265 67 E HA -0.105 4.250 4.350 0.009 0.000 0.196 67 E C 1.727 178.287 176.600 -0.066 0.000 0.996 67 E CA 1.274 57.660 56.400 -0.024 0.000 0.832 67 E CB -0.879 28.849 29.700 0.046 0.000 0.756 67 E HN 0.254 nan 8.360 nan 0.000 0.491 68 A N 1.588 124.356 122.820 -0.088 0.000 2.259 68 A HA 0.185 4.510 4.320 0.009 0.000 0.208 68 A C 0.962 178.410 177.584 -0.226 0.000 1.201 68 A CA -0.141 51.869 52.037 -0.044 0.000 0.824 68 A CB -0.010 19.048 19.000 0.096 0.000 0.838 68 A HN 0.028 nan 8.150 nan 0.000 0.485 69 V N 1.912 121.549 119.914 -0.462 0.000 2.607 69 V HA 0.293 4.418 4.120 0.009 0.000 0.289 69 V C -2.313 173.581 176.094 -0.334 0.000 1.053 69 V CA -1.439 60.410 62.300 -0.753 0.000 0.996 69 V CB 1.229 32.493 31.823 -0.931 0.000 0.995 69 V HN 0.301 nan 8.190 nan 0.000 0.476 70 P HA 0.404 nan 4.420 nan 0.000 0.300 70 P C 0.236 177.512 177.300 -0.041 0.000 1.326 70 P CA -0.583 62.466 63.100 -0.085 0.000 0.844 70 P CB 1.653 33.346 31.700 -0.012 0.000 0.992 71 E N 1.356 121.529 120.200 -0.045 0.000 2.233 71 E HA -0.242 4.114 4.350 0.009 0.000 0.199 71 E C 1.839 178.411 176.600 -0.047 0.000 1.004 71 E CA 1.904 58.270 56.400 -0.057 0.000 0.819 71 E CB -0.149 29.519 29.700 -0.053 0.000 0.738 71 E HN 0.477 nan 8.360 nan 0.000 0.478 72 S N -0.490 115.207 115.700 -0.005 0.000 2.387 72 S HA -0.236 4.239 4.470 0.009 0.000 0.230 72 S C 1.735 176.344 174.600 0.014 0.000 1.035 72 S CA 1.323 59.526 58.200 0.006 0.000 1.014 72 S CB -0.558 62.665 63.200 0.037 0.000 0.836 72 S HN 0.633 nan 8.310 nan 0.000 0.466 73 W N 1.976 123.184 121.300 -0.153 0.000 2.331 73 W HA -0.078 4.587 4.660 0.008 0.000 0.291 73 W C 1.694 178.098 176.519 -0.192 0.000 1.214 73 W CA 1.480 58.727 57.345 -0.163 0.000 1.228 73 W CB -0.580 28.748 29.460 -0.221 0.000 1.135 73 W HN 0.363 nan 8.180 nan 0.000 0.537 74 L N 0.089 121.064 121.223 -0.414 0.000 2.131 74 L HA -0.170 4.176 4.340 0.009 0.000 0.210 74 L C 2.278 178.896 176.870 -0.420 0.000 1.092 74 L CA 1.700 56.152 54.840 -0.646 0.000 0.759 74 L CB -0.690 41.003 42.059 -0.610 0.000 0.903 74 L HN -0.085 nan 8.230 nan 0.000 0.435 75 E N -1.839 118.211 120.200 -0.251 0.000 2.251 75 E HA 0.071 4.426 4.350 0.009 0.000 0.194 75 E C -0.188 176.336 176.600 -0.125 0.000 0.964 75 E CA 0.162 56.469 56.400 -0.154 0.000 0.868 75 E CB 0.625 30.270 29.700 -0.092 0.000 0.828 75 E HN 0.286 nan 8.360 nan 0.000 0.481 76 C N 0.309 119.543 119.300 -0.109 0.000 3.086 76 C HA 0.360 4.825 4.460 0.009 0.000 0.311 76 C C -0.860 174.130 174.990 -0.000 0.000 1.260 76 C CA -1.132 57.854 59.018 -0.053 0.000 1.426 76 C CB 0.827 28.556 27.740 -0.018 0.000 1.826 76 C HN 0.231 nan 8.230 nan 0.000 0.474 77 D N 1.148 121.565 120.400 0.028 0.000 2.300 77 D HA 0.279 4.924 4.640 0.009 0.000 0.235 77 D C -0.428 175.953 176.300 0.135 0.000 1.338 77 D CA 0.512 54.576 54.000 0.107 0.000 0.903 77 D CB 0.341 41.198 40.800 0.096 0.000 1.180 77 D HN 0.447 nan 8.370 nan 0.000 0.485 78 L N 0.954 122.271 121.223 0.156 0.000 2.385 78 L HA 0.197 4.542 4.340 0.009 0.000 0.273 78 L C -1.511 175.409 176.870 0.084 0.000 0.990 78 L CA -1.831 53.084 54.840 0.124 0.000 0.821 78 L CB 2.277 44.421 42.059 0.142 0.000 1.279 78 L HN 0.088 nan 8.230 nan 0.000 0.412 79 P HA -0.244 nan 4.420 nan 0.000 0.219 79 P C 0.565 177.889 177.300 0.040 0.000 1.158 79 P CA 1.622 64.749 63.100 0.044 0.000 0.895 79 P CB 0.274 31.995 31.700 0.035 0.000 0.792 80 E N -1.151 119.069 120.200 0.033 0.000 2.479 80 E HA 0.315 4.671 4.350 0.009 0.000 0.193 80 E C 0.721 177.336 176.600 0.025 0.000 1.049 80 E CA -0.093 56.318 56.400 0.019 0.000 0.870 80 E CB -0.569 29.126 29.700 -0.008 0.000 0.944 80 E HN 0.181 nan 8.360 nan 0.000 0.492 81 A N 1.295 124.143 122.820 0.046 0.000 2.477 81 A HA 0.241 4.566 4.320 0.009 0.000 0.246 81 A C -0.391 177.253 177.584 0.099 0.000 1.078 81 A CA -0.402 51.671 52.037 0.060 0.000 0.770 81 A CB 0.157 19.219 19.000 0.103 0.000 1.011 81 A HN 0.046 nan 8.150 nan 0.000 0.494 82 D N 0.108 120.596 120.400 0.147 0.000 2.437 82 D HA 0.528 5.174 4.640 0.009 0.000 0.259 82 D C -0.368 176.049 176.300 0.195 0.000 1.118 82 D CA 0.048 54.152 54.000 0.174 0.000 1.017 82 D CB 0.812 41.753 40.800 0.235 0.000 1.120 82 D HN 0.356 nan 8.370 nan 0.000 0.541 83 T N 0.825 115.475 114.554 0.160 0.000 2.801 83 T HA 0.436 4.791 4.350 0.009 0.000 0.306 83 T C -0.580 174.214 174.700 0.157 0.000 1.020 83 T CA -0.426 61.774 62.100 0.167 0.000 0.948 83 T CB 0.514 69.457 68.868 0.124 0.000 0.962 83 T HN 0.002 nan 8.240 nan 0.000 0.465 84 V N 3.991 124.037 119.914 0.219 0.000 2.850 84 V HA 0.586 4.712 4.120 0.009 0.000 0.315 84 V C -0.116 176.117 176.094 0.232 0.000 1.064 84 V CA -0.683 61.727 62.300 0.184 0.000 0.979 84 V CB 2.358 34.296 31.823 0.191 0.000 1.039 84 V HN 0.558 nan 8.190 nan 0.000 0.452 85 V N 4.523 124.559 119.914 0.202 0.000 2.481 85 V HA 0.597 4.722 4.120 0.009 0.000 0.286 85 V C -0.554 175.619 176.094 0.132 0.000 1.042 85 V CA 0.009 62.417 62.300 0.181 0.000 0.928 85 V CB 1.883 33.777 31.823 0.119 0.000 0.986 85 V HN 0.603 nan 8.190 nan 0.000 0.462 86 V N 8.497 128.423 119.914 0.021 0.000 2.588 86 V HA 0.529 4.654 4.120 0.009 0.000 0.304 86 V C -2.360 173.629 176.094 -0.174 0.000 1.042 86 V CA -1.600 60.574 62.300 -0.210 0.000 0.877 86 V CB 2.344 33.717 31.823 -0.750 0.000 0.996 86 V HN 0.852 nan 8.190 nan 0.000 0.425 87 P HA 0.546 nan 4.420 nan 0.000 0.281 87 P C -0.858 176.368 177.300 -0.124 0.000 1.249 87 P CA -0.213 62.765 63.100 -0.203 0.000 0.810 87 P CB 1.474 33.063 31.700 -0.185 0.000 1.008 88 S N 0.186 115.822 115.700 -0.107 0.000 2.615 88 S HA 0.419 4.894 4.470 0.009 0.000 0.268 88 S C -1.365 173.152 174.600 -0.138 0.000 1.146 88 S CA -1.019 57.100 58.200 -0.136 0.000 0.818 88 S CB 0.389 63.480 63.200 -0.183 0.000 1.111 88 S HN 0.348 nan 8.310 nan 0.000 0.465 89 N N 1.066 119.619 118.700 -0.245 0.000 2.444 89 N HA 0.405 5.150 4.740 0.009 0.000 0.262 89 N C 0.436 175.759 175.510 -0.312 0.000 0.974 89 N CA -0.794 52.093 53.050 -0.271 0.000 0.933 89 N CB 0.733 39.047 38.487 -0.289 0.000 1.137 89 N HN 0.824 nan 8.380 nan 0.000 0.498 90 W N 3.059 124.196 121.300 -0.272 0.000 2.421 90 W HA -0.100 4.566 4.660 0.009 0.000 0.270 90 W C 0.918 177.426 176.519 -0.019 0.000 1.233 90 W CA 0.869 58.050 57.345 -0.273 0.000 1.226 90 W CB -0.323 28.914 29.460 -0.371 0.000 1.121 90 W HN 0.497 nan 8.180 nan 0.000 0.579 91 Q N 0.323 120.102 119.800 -0.035 0.000 2.291 91 Q HA -0.127 4.218 4.340 0.009 0.000 0.206 91 Q C 2.020 178.014 176.000 -0.010 0.000 0.976 91 Q CA 1.604 57.426 55.803 0.032 0.000 0.875 91 Q CB -0.633 27.995 28.738 -0.184 0.000 0.927 91 Q HN 0.225 nan 8.270 nan 0.000 0.450 92 M N -1.065 118.478 119.600 -0.096 0.000 2.557 92 M HA -0.043 4.442 4.480 0.009 0.000 0.259 92 M C 0.815 177.224 176.300 0.182 0.000 1.086 92 M CA 1.369 56.632 55.300 -0.061 0.000 1.096 92 M CB -0.532 31.987 32.600 -0.134 0.000 1.424 92 M HN 0.375 nan 8.290 nan 0.000 0.488 93 H N -1.905 117.239 119.070 0.124 0.000 2.654 93 H HA 0.328 4.889 4.556 0.009 0.000 0.264 93 H C 1.410 176.716 175.328 -0.036 0.000 0.954 93 H CA 0.308 56.433 56.048 0.129 0.000 1.199 93 H CB 0.751 30.715 29.762 0.337 0.000 1.446 93 H HN 0.493 nan 8.280 nan 0.000 0.516 94 G N 0.089 108.952 108.800 0.105 0.000 2.255 94 G HA2 -0.298 3.667 3.960 0.009 0.000 0.196 94 G HA3 -0.298 3.667 3.960 0.009 0.000 0.196 94 G C 0.430 175.178 174.900 -0.253 0.000 0.998 94 G CA 0.074 45.098 45.100 -0.126 0.000 0.656 94 G HN 0.337 nan 8.290 nan 0.000 0.490 95 Y N 2.298 122.595 120.300 -0.005 0.000 2.081 95 Y HA 0.132 4.687 4.550 0.009 0.000 0.280 95 Y C 1.802 177.422 175.900 -0.466 0.000 1.163 95 Y CA 1.922 59.827 58.100 -0.326 0.000 1.135 95 Y CB -0.220 38.027 38.460 -0.355 0.000 0.970 95 Y HN 0.619 nan 8.280 nan 0.000 0.498 96 D N -2.259 118.233 120.400 0.153 0.000 2.744 96 D HA 0.580 5.225 4.640 0.009 0.000 0.304 96 D C -1.066 175.344 176.300 0.184 0.000 1.179 96 D CA -0.795 53.306 54.000 0.169 0.000 1.024 96 D CB 0.831 41.907 40.800 0.459 0.000 1.453 96 D HN 0.073 nan 8.370 nan 0.000 0.529 97 A N -0.452 122.479 122.820 0.185 0.000 2.293 97 A HA 0.728 5.053 4.320 0.009 0.000 0.302 97 A C -2.440 175.197 177.584 0.088 0.000 1.119 97 A CA -1.271 50.853 52.037 0.146 0.000 0.823 97 A CB 0.233 19.377 19.000 0.240 0.000 1.097 97 A HN 0.531 nan 8.150 nan 0.000 0.491 98 P HA 0.540 nan 4.420 nan 0.000 0.288 98 P C -1.078 176.415 177.300 0.322 0.000 1.267 98 P CA -0.142 62.935 63.100 -0.038 0.000 0.815 98 P CB 0.907 32.312 31.700 -0.491 0.000 0.989 99 I N 2.984 123.809 120.570 0.424 0.000 2.378 99 I HA 0.239 4.414 4.170 0.009 0.000 0.291 99 I C -0.334 175.968 176.117 0.308 0.000 0.992 99 I CA -0.822 60.718 61.300 0.400 0.000 1.154 99 I CB 1.213 39.369 38.000 0.260 0.000 1.315 99 I HN 0.289 nan 8.210 nan 0.000 0.448 100 Y N 6.636 126.885 120.300 -0.085 0.000 2.700 100 Y HA 0.509 5.064 4.550 0.008 0.000 0.333 100 Y C -0.166 175.552 175.900 -0.302 0.000 1.036 100 Y CA -0.261 57.433 58.100 -0.676 0.000 1.287 100 Y CB 0.723 37.964 38.460 -2.031 0.000 1.132 100 Y HN 0.550 nan 8.280 nan 0.000 0.510 101 T N 4.458 118.453 114.554 -0.931 0.000 2.887 101 T HA 0.266 4.621 4.350 0.009 0.000 0.288 101 T C 0.369 174.595 174.700 -0.790 0.000 1.021 101 T CA -0.549 61.080 62.100 -0.786 0.000 1.000 101 T CB 1.359 70.007 68.868 -0.367 0.000 1.034 101 T HN 0.872 nan 8.240 nan 0.000 0.467 102 N N 2.073 120.381 118.700 -0.653 0.000 2.272 102 N HA 0.035 4.780 4.740 0.009 0.000 0.195 102 N C 1.503 176.753 175.510 -0.434 0.000 1.048 102 N CA 0.562 53.343 53.050 -0.448 0.000 0.912 102 N CB 0.166 38.395 38.487 -0.430 0.000 1.096 102 N HN 0.340 nan 8.380 nan 0.000 0.471 103 V N 0.578 120.162 119.914 -0.550 0.000 2.326 103 V HA 0.014 4.139 4.120 0.009 0.000 0.238 103 V C 0.563 176.349 176.094 -0.514 0.000 1.038 103 V CA 0.866 62.750 62.300 -0.694 0.000 1.032 103 V CB -0.492 30.841 31.823 -0.817 0.000 0.675 103 V HN 0.365 nan 8.190 nan 0.000 0.467 104 T N 1.349 115.674 114.554 -0.381 0.000 2.800 104 T HA 0.011 4.366 4.350 0.009 0.000 0.283 104 T C -0.401 174.186 174.700 -0.187 0.000 0.999 104 T CA 0.498 62.462 62.100 -0.227 0.000 1.176 104 T CB -0.563 68.195 68.868 -0.184 0.000 0.973 104 T HN 0.186 nan 8.240 nan 0.000 0.519 105 Y N 5.516 125.723 120.300 -0.155 0.000 2.597 105 Y HA 0.090 4.645 4.550 0.008 0.000 0.336 105 Y C -0.780 175.001 175.900 -0.197 0.000 1.216 105 Y CA -1.768 56.233 58.100 -0.166 0.000 1.463 105 Y CB 0.248 38.611 38.460 -0.162 0.000 1.303 105 Y HN 0.528 nan 8.280 nan 0.000 0.576 106 P HA -0.179 nan 4.420 nan 0.000 0.215 106 P C 0.358 177.490 177.300 -0.280 0.000 1.153 106 P CA 1.596 64.613 63.100 -0.139 0.000 0.853 106 P CB 0.107 31.745 31.700 -0.103 0.000 0.788 107 I N -3.788 116.488 120.570 -0.490 0.000 3.062 107 I HA 0.400 4.575 4.170 0.009 0.000 0.316 107 I C -0.464 175.501 176.117 -0.253 0.000 1.041 107 I CA -0.932 60.069 61.300 -0.499 0.000 1.069 107 I CB 1.015 38.529 38.000 -0.809 0.000 1.300 107 I HN -0.349 nan 8.210 nan 0.000 0.518 108 T N 2.557 117.004 114.554 -0.178 0.000 2.851 108 T HA 0.237 4.592 4.350 0.009 0.000 0.298 108 T C 0.189 174.864 174.700 -0.042 0.000 0.977 108 T CA -0.429 61.626 62.100 -0.076 0.000 1.126 108 T CB 0.942 69.792 68.868 -0.029 0.000 0.916 108 T HN 0.390 nan 8.240 nan 0.000 0.529 109 V N 4.675 124.576 119.914 -0.022 0.000 2.377 109 V HA 0.173 4.299 4.120 0.009 0.000 0.254 109 V C 0.705 176.833 176.094 0.057 0.000 1.060 109 V CA -0.083 62.228 62.300 0.018 0.000 1.068 109 V CB -0.878 30.920 31.823 -0.042 0.000 1.113 109 V HN 0.823 nan 8.190 nan 0.000 0.484 110 N N 5.508 124.303 118.700 0.158 0.000 2.700 110 N HA 0.285 5.030 4.740 0.009 0.000 0.242 110 N C -3.026 172.551 175.510 0.111 0.000 1.541 110 N CA -1.367 51.775 53.050 0.153 0.000 0.764 110 N CB 1.632 40.263 38.487 0.241 0.000 1.319 110 N HN 0.246 nan 8.380 nan 0.000 0.518 111 P HA 0.217 nan 4.420 nan 0.000 0.268 111 P C -2.332 174.706 177.300 -0.437 0.000 1.204 111 P CA -0.868 61.799 63.100 -0.722 0.000 0.768 111 P CB 0.530 31.637 31.700 -0.987 0.000 0.842 112 P HA 0.253 nan 4.420 nan 0.000 0.262 112 P C -0.543 176.600 177.300 -0.262 0.000 1.651 112 P CA -0.336 62.506 63.100 -0.430 0.000 1.119 112 P CB -0.059 31.419 31.700 -0.369 0.000 1.552 113 F N -0.427 119.639 119.950 0.194 0.000 2.382 113 F HA 0.327 4.859 4.527 0.009 0.000 0.331 113 F C 1.161 177.134 175.800 0.289 0.000 1.121 113 F CA -0.596 57.524 58.000 0.200 0.000 1.183 113 F CB 0.720 39.782 39.000 0.104 0.000 1.207 113 F HN -0.282 nan 8.300 nan 0.000 0.555 114 V N 1.744 121.939 119.914 0.468 0.000 3.046 114 V HA 0.463 4.588 4.120 0.009 0.000 0.316 114 V C -2.167 174.106 176.094 0.299 0.000 1.104 114 V CA -2.135 60.368 62.300 0.339 0.000 1.006 114 V CB 2.311 34.410 31.823 0.460 0.000 1.058 114 V HN 0.506 nan 8.190 nan 0.000 0.440 115 P HA 0.147 nan 4.420 nan 0.000 0.271 115 P C 0.722 178.180 177.300 0.263 0.000 1.218 115 P CA 0.102 63.315 63.100 0.188 0.000 0.780 115 P CB 0.602 32.377 31.700 0.125 0.000 0.901 116 T N -0.538 114.138 114.554 0.203 0.000 2.867 116 T HA -0.110 4.245 4.350 0.009 0.000 0.268 116 T C 0.278 175.096 174.700 0.197 0.000 1.057 116 T CA 0.854 63.077 62.100 0.205 0.000 1.136 116 T CB -0.624 68.331 68.868 0.145 0.000 0.874 116 T HN 0.359 nan 8.240 nan 0.000 0.466 117 E N 2.998 123.316 120.200 0.196 0.000 1.932 117 E HA 0.391 4.746 4.350 0.009 0.000 0.275 117 E C -0.555 176.206 176.600 0.268 0.000 1.159 117 E CA -0.255 56.263 56.400 0.198 0.000 0.905 117 E CB 0.076 29.895 29.700 0.198 0.000 1.059 117 E HN 0.348 nan 8.360 nan 0.000 0.400 118 N N 3.519 122.330 118.700 0.185 0.000 2.577 118 N HA 0.246 4.992 4.740 0.009 0.000 0.275 118 N C -2.856 172.633 175.510 -0.037 0.000 1.091 118 N CA -2.704 50.461 53.050 0.192 0.000 0.843 118 N CB 1.125 39.767 38.487 0.260 0.000 1.295 118 N HN -0.016 nan 8.380 nan 0.000 0.530 119 P HA 0.017 nan 4.420 nan 0.000 0.253 119 P C -0.685 176.483 177.300 -0.219 0.000 1.170 119 P CA 0.535 63.504 63.100 -0.219 0.000 0.806 119 P CB -0.013 31.833 31.700 0.243 0.000 0.775 120 T N 2.814 117.040 114.554 -0.547 0.000 2.824 120 T HA 0.599 4.954 4.350 0.009 0.000 0.280 120 T C 0.534 174.796 174.700 -0.730 0.000 0.995 120 T CA -0.491 61.347 62.100 -0.437 0.000 1.009 120 T CB 1.595 70.216 68.868 -0.412 0.000 0.955 120 T HN 0.310 nan 8.240 nan 0.000 0.452 121 G N 0.795 109.279 108.800 -0.527 0.000 2.557 121 G HA2 0.508 4.473 3.960 0.009 0.000 0.310 121 G HA3 0.508 4.473 3.960 0.009 0.000 0.310 121 G C -0.581 174.130 174.900 -0.315 0.000 1.328 121 G CA -0.436 44.253 45.100 -0.685 0.000 0.945 121 G HN 0.880 nan 8.290 nan 0.000 0.494 122 C N 2.720 121.599 119.300 -0.702 0.000 2.251 122 C HA 0.556 5.022 4.460 0.009 0.000 0.323 122 C C -0.588 174.381 174.990 -0.036 0.000 1.241 122 C CA -0.958 57.781 59.018 -0.465 0.000 1.601 122 C CB -1.344 25.609 27.740 -1.312 0.000 2.251 122 C HN 0.629 nan 8.230 nan 0.000 0.488 123 Y N 1.802 122.380 120.300 0.463 0.000 2.457 123 Y HA 0.663 5.218 4.550 0.009 0.000 0.333 123 Y C 0.783 177.153 175.900 0.783 0.000 1.119 123 Y CA -0.250 58.255 58.100 0.674 0.000 1.143 123 Y CB 1.539 40.398 38.460 0.665 0.000 1.230 123 Y HN 0.710 nan 8.280 nan 0.000 0.469 124 S N 2.013 118.218 115.700 0.842 0.000 2.550 124 S HA 0.805 5.280 4.470 0.009 0.000 0.270 124 S C -1.915 172.715 174.600 0.050 0.000 1.145 124 S CA -0.796 57.662 58.200 0.430 0.000 0.852 124 S CB 2.045 65.436 63.200 0.318 0.000 1.119 124 S HN 0.651 nan 8.310 nan 0.000 0.465 125 L N 1.052 122.150 121.223 -0.207 0.000 2.526 125 L HA 0.712 5.057 4.340 0.009 0.000 0.263 125 L C -1.162 175.657 176.870 -0.085 0.000 0.943 125 L CA 0.128 54.682 54.840 -0.478 0.000 0.859 125 L CB 2.348 43.555 42.059 -1.419 0.000 1.313 125 L HN 0.917 nan 8.230 nan 0.000 0.406 126 T N 5.478 120.004 114.554 -0.047 0.000 2.771 126 T HA 0.783 5.138 4.350 0.009 0.000 0.281 126 T C -0.860 173.896 174.700 0.094 0.000 0.982 126 T CA -0.042 62.066 62.100 0.014 0.000 0.978 126 T CB 0.465 69.306 68.868 -0.046 0.000 0.930 126 T HN 0.480 nan 8.240 nan 0.000 0.447 127 F N 0.421 120.291 119.950 -0.133 0.000 2.741 127 F HA 0.675 5.207 4.527 0.009 0.000 0.313 127 F C -1.304 174.436 175.800 -0.101 0.000 1.153 127 F CA -1.549 56.376 58.000 -0.125 0.000 0.931 127 F CB 1.168 40.081 39.000 -0.145 0.000 1.335 127 F HN 0.254 nan 8.300 nan 0.000 0.460 128 N N 0.523 119.179 118.700 -0.073 0.000 2.421 128 N HA 0.631 5.376 4.740 0.009 0.000 0.285 128 N C -1.531 173.914 175.510 -0.109 0.000 1.027 128 N CA -0.680 52.275 53.050 -0.159 0.000 0.918 128 N CB 2.216 40.633 38.487 -0.118 0.000 1.152 128 N HN 0.553 nan 8.380 nan 0.000 0.485 129 V N 1.147 120.957 119.914 -0.173 0.000 2.459 129 V HA 0.229 4.354 4.120 0.009 0.000 0.295 129 V C -0.297 175.690 176.094 -0.179 0.000 1.029 129 V CA -0.853 61.359 62.300 -0.146 0.000 0.874 129 V CB 1.633 33.443 31.823 -0.022 0.000 0.985 129 V HN 0.650 nan 8.190 nan 0.000 0.438 130 D N 3.028 123.240 120.400 -0.313 0.000 2.383 130 D HA 0.060 4.705 4.640 0.009 0.000 0.252 130 D C 1.475 177.720 176.300 -0.091 0.000 1.166 130 D CA 0.036 53.893 54.000 -0.238 0.000 0.879 130 D CB 1.174 41.754 40.800 -0.367 0.000 1.164 130 D HN 0.808 nan 8.370 nan 0.000 0.462 131 E N 1.949 122.125 120.200 -0.039 0.000 2.208 131 E HA -0.350 4.006 4.350 0.009 0.000 0.202 131 E C 1.378 178.015 176.600 0.063 0.000 1.014 131 E CA 1.706 58.115 56.400 0.014 0.000 0.819 131 E CB -0.360 29.343 29.700 0.004 0.000 0.735 131 E HN 0.456 nan 8.360 nan 0.000 0.469 132 S N 0.167 115.912 115.700 0.075 0.000 2.382 132 S HA -0.180 4.295 4.470 0.009 0.000 0.228 132 S C 1.549 176.250 174.600 0.168 0.000 1.027 132 S CA 0.906 59.181 58.200 0.126 0.000 0.991 132 S CB -0.795 62.484 63.200 0.133 0.000 0.823 132 S HN 0.467 nan 8.310 nan 0.000 0.469 133 W N 1.727 122.899 121.300 -0.212 0.000 2.392 133 W HA 0.170 4.835 4.660 0.009 0.000 0.279 133 W C 1.464 177.949 176.519 -0.057 0.000 1.225 133 W CA 0.098 57.226 57.345 -0.362 0.000 1.233 133 W CB -0.673 28.633 29.460 -0.257 0.000 1.122 133 W HN 0.341 nan 8.180 nan 0.000 0.561 134 L N -1.119 120.228 121.223 0.207 0.000 2.529 134 L HA 0.098 4.443 4.340 0.009 0.000 0.223 134 L C 2.032 178.972 176.870 0.116 0.000 1.113 134 L CA 0.729 55.665 54.840 0.160 0.000 0.861 134 L CB -1.735 40.404 42.059 0.133 0.000 1.012 134 L HN -0.157 nan 8.230 nan 0.000 0.461 135 Q N 0.848 120.709 119.800 0.103 0.000 1.993 135 Q HA -0.057 4.288 4.340 0.009 0.000 0.202 135 Q C 0.675 176.726 176.000 0.085 0.000 0.984 135 Q CA 1.594 57.444 55.803 0.079 0.000 0.837 135 Q CB 0.226 29.005 28.738 0.067 0.000 0.902 135 Q HN 0.661 nan 8.270 nan 0.000 0.423 136 E N -2.543 117.725 120.200 0.113 0.000 2.446 136 E HA 0.578 4.934 4.350 0.009 0.000 0.267 136 E C 0.161 176.865 176.600 0.174 0.000 0.955 136 E CA -0.593 55.873 56.400 0.110 0.000 0.842 136 E CB 0.534 30.284 29.700 0.083 0.000 1.504 136 E HN 0.268 nan 8.360 nan 0.000 0.438 137 G N 0.574 109.401 108.800 0.046 0.000 2.750 137 G HA2 -0.237 3.728 3.960 0.009 0.000 0.228 137 G HA3 -0.237 3.728 3.960 0.009 0.000 0.228 137 G C -0.685 174.155 174.900 -0.101 0.000 1.367 137 G CA 0.167 45.187 45.100 -0.133 0.000 0.871 137 G HN 0.745 nan 8.290 nan 0.000 0.560 138 Q N -0.657 118.962 119.800 -0.301 0.000 2.353 138 Q HA 0.680 5.025 4.340 0.009 0.000 0.268 138 Q C -1.049 174.866 176.000 -0.141 0.000 1.045 138 Q CA -0.508 55.217 55.803 -0.130 0.000 0.811 138 Q CB 1.899 30.581 28.738 -0.094 0.000 1.305 138 Q HN 0.605 nan 8.270 nan 0.000 0.447 139 T N 4.731 119.338 114.554 0.089 0.000 2.772 139 T HA 0.500 4.856 4.350 0.009 0.000 0.288 139 T C -0.657 174.151 174.700 0.180 0.000 0.994 139 T CA -0.654 61.563 62.100 0.195 0.000 0.951 139 T CB 0.517 69.623 68.868 0.397 0.000 0.933 139 T HN 0.677 nan 8.240 nan 0.000 0.447 140 R N 2.724 123.308 120.500 0.139 0.000 2.888 140 R HA 0.808 5.153 4.340 0.009 0.000 0.266 140 R C -1.234 175.156 176.300 0.151 0.000 1.020 140 R CA -1.032 55.157 56.100 0.150 0.000 0.963 140 R CB 1.591 31.957 30.300 0.109 0.000 1.197 140 R HN 0.534 nan 8.270 nan 0.000 0.481 141 I N 2.022 122.697 120.570 0.175 0.000 2.562 141 I HA 0.511 4.686 4.170 0.009 0.000 0.301 141 I C -1.111 175.079 176.117 0.123 0.000 1.003 141 I CA -1.328 60.040 61.300 0.114 0.000 1.127 141 I CB 1.467 39.543 38.000 0.127 0.000 1.304 141 I HN 0.602 nan 8.210 nan 0.000 0.446 142 I N 6.672 127.190 120.570 -0.086 0.000 2.533 142 I HA 0.325 4.500 4.170 0.009 0.000 0.290 142 I C -1.500 174.453 176.117 -0.274 0.000 1.056 142 I CA -0.486 60.787 61.300 -0.045 0.000 1.057 142 I CB 1.824 39.784 38.000 -0.067 0.000 1.240 142 I HN 0.343 nan 8.210 nan 0.000 0.423 143 F N 3.639 123.563 119.950 -0.042 0.000 2.427 143 F HA 0.337 4.869 4.527 0.008 0.000 0.348 143 F C 1.090 176.771 175.800 -0.199 0.000 1.125 143 F CA -0.832 57.074 58.000 -0.158 0.000 0.989 143 F CB 0.933 39.793 39.000 -0.233 0.000 1.165 143 F HN 0.389 nan 8.300 nan 0.000 0.442 144 D N 2.234 122.557 120.400 -0.127 0.000 2.371 144 D HA 0.148 4.793 4.640 0.009 0.000 0.221 144 D C 0.876 176.997 176.300 -0.298 0.000 0.986 144 D CA 0.800 54.671 54.000 -0.214 0.000 0.899 144 D CB 0.434 41.053 40.800 -0.302 0.000 0.902 144 D HN 0.702 nan 8.370 nan 0.000 0.530 145 G N -0.380 108.192 108.800 -0.380 0.000 1.984 145 G HA2 0.348 4.313 3.960 0.009 0.000 0.313 145 G HA3 0.348 4.313 3.960 0.009 0.000 0.313 145 G C -1.449 173.114 174.900 -0.560 0.000 1.632 145 G CA -0.552 44.197 45.100 -0.586 0.000 0.963 145 G HN -0.046 nan 8.290 nan 0.000 0.595 146 V N 2.631 122.444 119.914 -0.168 0.000 2.483 146 V HA 0.613 4.738 4.120 0.009 0.000 0.297 146 V C -0.690 175.482 176.094 0.130 0.000 1.027 146 V CA -1.111 61.110 62.300 -0.131 0.000 0.855 146 V CB 1.944 33.408 31.823 -0.598 0.000 0.995 146 V HN 0.725 nan 8.190 nan 0.000 0.424 147 N N 2.481 121.279 118.700 0.162 0.000 2.399 147 N HA 0.316 5.061 4.740 0.009 0.000 0.280 147 N C 0.569 176.037 175.510 -0.069 0.000 1.008 147 N CA 0.171 53.246 53.050 0.042 0.000 0.894 147 N CB 2.320 40.719 38.487 -0.146 0.000 1.273 147 N HN 0.597 nan 8.380 nan 0.000 0.486 148 S N 2.271 117.955 115.700 -0.026 0.000 2.497 148 S HA 0.540 5.015 4.470 0.009 0.000 0.218 148 S C 0.323 174.987 174.600 0.107 0.000 1.023 148 S CA 0.441 58.671 58.200 0.051 0.000 0.913 148 S CB 0.127 63.370 63.200 0.072 0.000 0.800 148 S HN 0.730 nan 8.310 nan 0.000 0.505 149 A N 0.462 123.361 122.820 0.132 0.000 2.610 149 A HA 0.761 5.086 4.320 0.009 0.000 0.291 149 A C -1.306 176.402 177.584 0.207 0.000 1.086 149 A CA -0.843 51.242 52.037 0.081 0.000 0.677 149 A CB 0.755 19.800 19.000 0.074 0.000 1.278 149 A HN 1.190 nan 8.150 nan 0.000 0.414 150 F N -1.056 118.728 119.950 -0.277 0.000 2.744 150 F HA 0.728 5.260 4.527 0.008 0.000 0.311 150 F C -1.326 174.420 175.800 -0.090 0.000 1.144 150 F CA -0.788 57.151 58.000 -0.101 0.000 0.938 150 F CB 0.979 39.914 39.000 -0.110 0.000 1.292 150 F HN 0.661 nan 8.300 nan 0.000 0.444 151 H N 1.590 120.822 119.070 0.269 0.000 2.573 151 H HA 0.799 5.360 4.556 0.009 0.000 0.351 151 H C -1.493 173.864 175.328 0.047 0.000 1.163 151 H CA -0.771 55.355 56.048 0.131 0.000 1.205 151 H CB 2.434 32.334 29.762 0.231 0.000 1.605 151 H HN 0.844 nan 8.280 nan 0.000 0.525 152 L N 2.188 123.261 121.223 -0.250 0.000 2.431 152 L HA 0.414 4.759 4.340 0.009 0.000 0.266 152 L C -1.769 174.800 176.870 -0.502 0.000 0.978 152 L CA -0.472 54.230 54.840 -0.230 0.000 0.822 152 L CB 1.717 43.520 42.059 -0.426 0.000 1.310 152 L HN 0.497 nan 8.230 nan 0.000 0.409 153 W N 4.211 125.479 121.300 -0.054 0.000 2.844 153 W HA 0.651 5.316 4.660 0.009 0.000 0.340 153 W C -1.146 175.321 176.519 -0.086 0.000 1.093 153 W CA -0.801 56.500 57.345 -0.074 0.000 1.212 153 W CB 2.071 31.514 29.460 -0.028 0.000 1.422 153 W HN 0.672 nan 8.180 nan 0.000 0.515 154 C N 4.609 124.011 119.300 0.170 0.000 2.516 154 C HA 0.292 4.757 4.460 0.009 0.000 0.338 154 C C 0.018 175.136 174.990 0.213 0.000 1.132 154 C CA -0.444 58.659 59.018 0.142 0.000 1.310 154 C CB -0.363 27.403 27.740 0.044 0.000 1.898 154 C HN 0.812 nan 8.230 nan 0.000 0.452 155 N N 3.702 122.485 118.700 0.139 0.000 2.725 155 N HA -0.186 4.559 4.740 0.009 0.000 0.251 155 N C 1.008 176.586 175.510 0.112 0.000 1.031 155 N CA 2.044 55.150 53.050 0.093 0.000 0.720 155 N CB -1.335 37.204 38.487 0.086 0.000 0.930 155 N HN 1.977 nan 8.380 nan 0.000 0.543 156 G N -1.286 107.567 108.800 0.089 0.000 2.184 156 G HA2 -0.391 3.574 3.960 0.009 0.000 0.264 156 G HA3 -0.391 3.574 3.960 0.009 0.000 0.264 156 G C 0.228 175.294 174.900 0.277 0.000 0.975 156 G CA 0.820 45.961 45.100 0.069 0.000 0.642 156 G HN 0.600 nan 8.290 nan 0.000 0.536 157 R N -1.211 119.526 120.500 0.395 0.000 2.474 157 R HA 0.464 4.810 4.340 0.009 0.000 0.295 157 R C -0.237 176.382 176.300 0.532 0.000 0.980 157 R CA -0.891 55.521 56.100 0.519 0.000 0.934 157 R CB 0.888 31.515 30.300 0.545 0.000 1.101 157 R HN 0.223 nan 8.270 nan 0.000 0.469 158 W N 3.472 124.896 121.300 0.206 0.000 2.303 158 W HA 0.130 4.795 4.660 0.008 0.000 0.318 158 W C 0.038 176.370 176.519 -0.311 0.000 1.362 158 W CA -0.109 56.961 57.345 -0.459 0.000 1.234 158 W CB 0.706 29.884 29.460 -0.468 0.000 1.248 158 W HN 0.333 nan 8.180 nan 0.000 0.546 159 V N 5.507 124.637 119.914 -1.306 0.000 2.690 159 V HA 0.520 4.645 4.120 0.009 0.000 0.240 159 V C 1.099 176.209 176.094 -1.640 0.000 1.078 159 V CA 1.063 62.581 62.300 -1.304 0.000 1.102 159 V CB -0.557 30.583 31.823 -1.139 0.000 0.800 159 V HN 0.814 nan 8.190 nan 0.000 0.479 160 G N -1.773 105.773 108.800 -2.091 0.000 2.320 160 G HA2 0.434 4.399 3.960 0.009 0.000 0.296 160 G HA3 0.434 4.399 3.960 0.009 0.000 0.296 160 G C -2.446 172.012 174.900 -0.737 0.000 1.306 160 G CA -0.339 43.930 45.100 -1.386 0.000 0.836 160 G HN -0.016 nan 8.290 nan 0.000 0.517 161 Y N -0.380 119.687 120.300 -0.388 0.000 2.553 161 Y HA 0.759 5.315 4.550 0.009 0.000 0.347 161 Y C 0.043 175.704 175.900 -0.399 0.000 1.019 161 Y CA -0.103 57.727 58.100 -0.451 0.000 1.032 161 Y CB 2.395 40.747 38.460 -0.180 0.000 1.284 161 Y HN 1.305 nan 8.280 nan 0.000 0.466 162 G N 3.566 111.509 108.800 -1.428 0.000 2.742 162 G HA2 0.546 4.511 3.960 0.009 0.000 0.296 162 G HA3 0.546 4.511 3.960 0.009 0.000 0.296 162 G C -2.174 172.231 174.900 -0.826 0.000 1.436 162 G CA -0.953 43.593 45.100 -0.923 0.000 0.928 162 G HN 0.625 nan 8.290 nan 0.000 0.520 163 Q N 0.063 119.629 119.800 -0.391 0.000 2.495 163 Q HA 0.670 5.015 4.340 0.009 0.000 0.283 163 Q C -1.184 174.798 176.000 -0.029 0.000 1.097 163 Q CA -0.914 54.791 55.803 -0.163 0.000 0.836 163 Q CB 2.449 31.144 28.738 -0.071 0.000 1.426 163 Q HN 0.568 nan 8.270 nan 0.000 0.459 164 D N -0.332 120.092 120.400 0.040 0.000 4.150 164 D HA -0.095 4.550 4.640 0.009 0.000 0.231 164 D C -0.348 176.007 176.300 0.092 0.000 1.129 164 D CA 0.395 54.436 54.000 0.068 0.000 1.005 164 D CB -0.590 40.236 40.800 0.044 0.000 0.691 164 D HN 0.562 nan 8.370 nan 0.000 0.320 165 S N 2.697 118.467 115.700 0.116 0.000 2.419 165 S HA -0.153 4.322 4.470 0.009 0.000 0.235 165 S C 1.586 176.308 174.600 0.203 0.000 1.019 165 S CA 0.851 59.150 58.200 0.165 0.000 0.982 165 S CB 0.153 63.421 63.200 0.112 0.000 0.789 165 S HN 0.479 nan 8.310 nan 0.000 0.490 166 R N 0.290 120.874 120.500 0.141 0.000 2.393 166 R HA 0.436 4.781 4.340 0.009 0.000 0.244 166 R C -0.107 176.248 176.300 0.093 0.000 0.920 166 R CA 0.035 56.219 56.100 0.140 0.000 1.076 166 R CB -0.465 29.930 30.300 0.159 0.000 1.119 166 R HN 0.353 nan 8.270 nan 0.000 0.524 167 L N 1.010 122.261 121.223 0.047 0.000 2.327 167 L HA 0.528 4.874 4.340 0.009 0.000 0.258 167 L C -2.427 174.420 176.870 -0.038 0.000 1.024 167 L CA -2.472 52.367 54.840 -0.003 0.000 0.825 167 L CB 2.632 44.683 42.059 -0.014 0.000 1.386 167 L HN -0.221 nan 8.230 nan 0.000 0.417 168 P HA 0.168 nan 4.420 nan 0.000 0.275 168 P C -1.330 175.934 177.300 -0.061 0.000 1.227 168 P CA -0.341 62.718 63.100 -0.069 0.000 0.781 168 P CB 0.949 32.574 31.700 -0.126 0.000 0.906 169 S N 1.624 117.337 115.700 0.022 0.000 2.473 169 S HA 0.467 4.943 4.470 0.009 0.000 0.307 169 S C -0.510 174.045 174.600 -0.076 0.000 1.094 169 S CA -0.831 57.324 58.200 -0.075 0.000 1.070 169 S CB 1.490 64.740 63.200 0.082 0.000 1.019 169 S HN 0.366 nan 8.310 nan 0.000 0.480 170 E N 1.498 121.446 120.200 -0.420 0.000 2.248 170 E HA 0.577 4.932 4.350 0.009 0.000 0.267 170 E C -1.524 174.708 176.600 -0.614 0.000 0.877 170 E CA -0.561 55.674 56.400 -0.274 0.000 0.759 170 E CB 1.649 31.298 29.700 -0.085 0.000 1.182 170 E HN 0.492 nan 8.360 nan 0.000 0.418 171 F N 0.523 120.541 119.950 0.114 0.000 2.576 171 F HA 0.239 4.772 4.527 0.009 0.000 0.313 171 F C 0.042 175.875 175.800 0.056 0.000 1.078 171 F CA -1.163 56.863 58.000 0.044 0.000 0.921 171 F CB 1.422 40.408 39.000 -0.023 0.000 1.232 171 F HN 0.261 nan 8.300 nan 0.000 0.459 172 D N 2.418 122.960 120.400 0.237 0.000 2.316 172 D HA 0.248 4.893 4.640 0.009 0.000 0.245 172 D C 0.278 176.717 176.300 0.233 0.000 1.171 172 D CA 0.224 54.340 54.000 0.195 0.000 0.856 172 D CB 0.994 41.892 40.800 0.164 0.000 1.090 172 D HN 0.570 nan 8.370 nan 0.000 0.476 173 L N 2.790 124.159 121.223 0.244 0.000 2.640 173 L HA 0.021 4.366 4.340 0.009 0.000 0.230 173 L C 2.090 179.219 176.870 0.432 0.000 1.123 173 L CA -0.131 54.890 54.840 0.302 0.000 0.900 173 L CB 0.024 42.231 42.059 0.247 0.000 1.146 173 L HN 0.330 nan 8.230 nan 0.000 0.484 174 S N 1.235 117.126 115.700 0.318 0.000 2.399 174 S HA -0.292 4.183 4.470 0.009 0.000 0.235 174 S C 1.725 176.449 174.600 0.206 0.000 1.063 174 S CA 2.043 60.387 58.200 0.240 0.000 1.070 174 S CB -0.101 63.197 63.200 0.163 0.000 0.904 174 S HN 0.569 nan 8.310 nan 0.000 0.456 175 A N -1.216 121.724 122.820 0.200 0.000 2.460 175 A HA 0.505 4.830 4.320 0.009 0.000 0.258 175 A C 0.867 178.295 177.584 -0.260 0.000 1.300 175 A CA -0.214 51.793 52.037 -0.050 0.000 0.913 175 A CB -0.171 18.704 19.000 -0.208 0.000 1.031 175 A HN 0.452 nan 8.150 nan 0.000 0.512 176 F N -0.811 119.186 119.950 0.078 0.000 2.752 176 F HA 0.369 4.901 4.527 0.009 0.000 0.310 176 F C 0.647 176.487 175.800 0.067 0.000 1.097 176 F CA -0.296 57.747 58.000 0.072 0.000 1.238 176 F CB 0.152 39.202 39.000 0.083 0.000 1.061 176 F HN -0.014 nan 8.300 nan 0.000 0.591 177 L N 2.537 123.932 121.223 0.286 0.000 2.417 177 L HA 0.350 4.695 4.340 0.009 0.000 0.268 177 L C 0.350 177.275 176.870 0.091 0.000 1.158 177 L CA -0.266 54.682 54.840 0.180 0.000 0.819 177 L CB 0.747 42.935 42.059 0.214 0.000 1.112 177 L HN 0.128 nan 8.230 nan 0.000 0.458 178 R N 2.338 122.856 120.500 0.031 0.000 2.807 178 R HA 0.799 5.144 4.340 0.009 0.000 0.276 178 R C -0.938 175.343 176.300 -0.031 0.000 0.979 178 R CA -0.909 55.189 56.100 -0.003 0.000 0.928 178 R CB 1.562 31.849 30.300 -0.022 0.000 1.191 178 R HN 0.539 nan 8.270 nan 0.000 0.471 179 A N 1.416 124.221 122.820 -0.024 0.000 2.440 179 A HA 0.522 4.847 4.320 0.009 0.000 0.251 179 A C 1.141 178.680 177.584 -0.075 0.000 1.089 179 A CA 0.818 52.832 52.037 -0.039 0.000 0.779 179 A CB -0.331 18.657 19.000 -0.020 0.000 1.022 179 A HN 1.277 nan 8.150 nan 0.000 0.492 180 G N 1.290 110.030 108.800 -0.100 0.000 2.728 180 G HA2 -0.233 3.732 3.960 0.009 0.000 0.269 180 G HA3 -0.233 3.732 3.960 0.009 0.000 0.269 180 G C 0.202 174.985 174.900 -0.196 0.000 1.334 180 G CA 0.433 45.459 45.100 -0.124 0.000 0.974 180 G HN 1.071 nan 8.290 nan 0.000 0.550 181 E N 2.029 122.117 120.200 -0.187 0.000 2.152 181 E HA 0.435 4.790 4.350 0.009 0.000 0.285 181 E C -0.310 176.100 176.600 -0.317 0.000 1.043 181 E CA -0.391 55.857 56.400 -0.252 0.000 0.839 181 E CB 0.140 29.738 29.700 -0.170 0.000 1.069 181 E HN 0.397 nan 8.360 nan 0.000 0.399 182 N N 3.338 121.688 118.700 -0.583 0.000 2.328 182 N HA 0.423 5.168 4.740 0.009 0.000 0.299 182 N C -0.996 174.157 175.510 -0.596 0.000 1.179 182 N CA -0.646 52.011 53.050 -0.654 0.000 0.793 182 N CB 2.027 39.864 38.487 -1.083 0.000 1.366 182 N HN 0.370 nan 8.380 nan 0.000 0.493 183 R N 1.440 121.813 120.500 -0.212 0.000 2.574 183 R HA 0.486 4.831 4.340 0.009 0.000 0.288 183 R C -1.406 174.976 176.300 0.136 0.000 1.004 183 R CA -0.503 55.596 56.100 -0.002 0.000 0.895 183 R CB 1.297 31.560 30.300 -0.061 0.000 1.191 183 R HN 0.487 nan 8.270 nan 0.000 0.444 184 L N 2.732 124.073 121.223 0.197 0.000 2.317 184 L HA 0.719 5.064 4.340 0.009 0.000 0.281 184 L C -0.363 176.583 176.870 0.127 0.000 1.024 184 L CA -0.875 54.080 54.840 0.192 0.000 0.810 184 L CB 2.009 44.195 42.059 0.212 0.000 1.240 184 L HN 0.706 nan 8.230 nan 0.000 0.427 185 A N 3.418 126.313 122.820 0.124 0.000 2.332 185 A HA 0.730 5.055 4.320 0.009 0.000 0.300 185 A C -0.999 176.859 177.584 0.457 0.000 1.153 185 A CA -0.443 51.594 52.037 -0.000 0.000 0.764 185 A CB 1.405 19.833 19.000 -0.953 0.000 1.174 185 A HN 0.376 nan 8.150 nan 0.000 0.467 186 V N 3.847 124.206 119.914 0.742 0.000 2.378 186 V HA 0.553 4.678 4.120 0.009 0.000 0.288 186 V C -0.057 176.551 176.094 0.857 0.000 1.016 186 V CA -0.260 62.484 62.300 0.741 0.000 0.840 186 V CB 1.172 33.322 31.823 0.546 0.000 0.994 186 V HN 0.994 nan 8.190 nan 0.000 0.431 187 M N 6.161 126.249 119.600 0.814 0.000 2.072 187 M HA 0.744 5.229 4.480 0.009 0.000 0.331 187 M C -1.470 175.092 176.300 0.436 0.000 1.004 187 M CA -0.175 55.455 55.300 0.550 0.000 0.952 187 M CB 1.616 34.451 32.600 0.392 0.000 1.511 187 M HN 0.259 nan 8.290 nan 0.000 0.422 188 V N 6.068 126.203 119.914 0.367 0.000 2.350 188 V HA 0.418 4.543 4.120 0.009 0.000 0.276 188 V C -0.062 176.192 176.094 0.266 0.000 1.028 188 V CA -0.573 61.937 62.300 0.350 0.000 0.860 188 V CB 0.963 33.057 31.823 0.453 0.000 0.990 188 V HN 0.873 nan 8.190 nan 0.000 0.453 189 L N 5.267 126.578 121.223 0.146 0.000 2.292 189 L HA 0.504 4.849 4.340 0.009 0.000 0.284 189 L C 1.671 178.544 176.870 0.006 0.000 1.065 189 L CA -0.299 54.547 54.840 0.010 0.000 0.806 189 L CB 1.124 43.098 42.059 -0.142 0.000 1.175 189 L HN 0.709 nan 8.230 nan 0.000 0.431 190 R N 3.063 123.505 120.500 -0.097 0.000 2.066 190 R HA -0.042 4.303 4.340 0.009 0.000 0.232 190 R C -0.292 175.739 176.300 -0.448 0.000 1.131 190 R CA 0.828 56.673 56.100 -0.426 0.000 0.955 190 R CB 0.088 30.002 30.300 -0.643 0.000 0.851 190 R HN 0.544 nan 8.270 nan 0.000 0.432 191 W N 1.276 122.633 121.300 0.095 0.000 2.496 191 W HA 0.412 5.077 4.660 0.008 0.000 0.327 191 W C -0.186 176.440 176.519 0.179 0.000 1.086 191 W CA -0.869 56.539 57.345 0.105 0.000 1.222 191 W CB 1.677 31.203 29.460 0.110 0.000 1.304 191 W HN 0.150 nan 8.180 nan 0.000 0.547 192 S N -0.929 115.052 115.700 0.468 0.000 2.688 192 S HA 0.205 4.680 4.470 0.009 0.000 0.275 192 S C 0.134 174.975 174.600 0.402 0.000 1.175 192 S CA -0.421 58.069 58.200 0.484 0.000 0.818 192 S CB 1.187 64.643 63.200 0.426 0.000 1.157 192 S HN 0.607 nan 8.310 nan 0.000 0.482 193 D N 0.290 120.931 120.400 0.402 0.000 2.264 193 D HA 0.080 4.725 4.640 0.009 0.000 0.208 193 D C 1.732 178.326 176.300 0.490 0.000 0.966 193 D CA 1.188 55.460 54.000 0.454 0.000 0.864 193 D CB -0.763 40.186 40.800 0.248 0.000 0.933 193 D HN 0.709 nan 8.370 nan 0.000 0.499 194 G N -0.133 108.877 108.800 0.350 0.000 2.471 194 G HA2 -0.223 3.742 3.960 0.009 0.000 0.219 194 G HA3 -0.223 3.742 3.960 0.009 0.000 0.219 194 G C 1.666 176.740 174.900 0.291 0.000 1.125 194 G CA 0.651 45.931 45.100 0.301 0.000 0.775 194 G HN 0.317 nan 8.290 nan 0.000 0.548 195 S N -0.170 115.686 115.700 0.261 0.000 2.423 195 S HA -0.055 4.420 4.470 0.009 0.000 0.231 195 S C 1.881 176.594 174.600 0.189 0.000 1.014 195 S CA 0.488 58.812 58.200 0.207 0.000 0.965 195 S CB -0.380 62.945 63.200 0.209 0.000 0.785 195 S HN 0.552 nan 8.310 nan 0.000 0.495 196 Y N 1.291 121.727 120.300 0.228 0.000 2.403 196 Y HA 0.017 4.572 4.550 0.008 0.000 0.291 196 Y C 1.640 177.669 175.900 0.214 0.000 1.143 196 Y CA 0.697 58.869 58.100 0.120 0.000 1.257 196 Y CB -0.206 38.195 38.460 -0.099 0.000 0.984 196 Y HN 0.194 nan 8.280 nan 0.000 0.550 197 L N -0.208 121.217 121.223 0.337 0.000 2.667 197 L HA 0.105 4.450 4.340 0.009 0.000 0.232 197 L C -0.054 176.954 176.870 0.230 0.000 1.138 197 L CA 0.411 55.400 54.840 0.249 0.000 0.921 197 L CB 0.056 42.266 42.059 0.252 0.000 1.180 197 L HN 0.163 nan 8.230 nan 0.000 0.487 198 E N -0.055 120.293 120.200 0.247 0.000 3.896 198 E HA 0.052 4.407 4.350 0.009 0.000 0.217 198 E C -0.614 176.085 176.600 0.165 0.000 1.150 198 E CA -0.068 56.457 56.400 0.208 0.000 1.338 198 E CB 0.518 30.332 29.700 0.190 0.000 1.242 198 E HN 0.018 nan 8.360 nan 0.000 0.435 199 D N 1.332 121.784 120.400 0.086 0.000 3.072 199 D HA 0.043 4.688 4.640 0.009 0.000 0.250 199 D C -0.347 175.937 176.300 -0.026 0.000 1.304 199 D CA -0.224 53.709 54.000 -0.113 0.000 0.861 199 D CB 0.168 40.596 40.800 -0.619 0.000 1.062 199 D HN 0.023 nan 8.370 nan 0.000 0.481 200 Q N 0.481 120.362 119.800 0.135 0.000 2.373 200 Q HA 0.149 4.494 4.340 0.009 0.000 0.255 200 Q C -0.215 175.900 176.000 0.192 0.000 0.980 200 Q CA -0.091 55.869 55.803 0.261 0.000 0.882 200 Q CB 0.715 29.753 28.738 0.499 0.000 1.249 200 Q HN 0.123 nan 8.270 nan 0.000 0.438 201 D N 3.180 123.721 120.400 0.236 0.000 2.429 201 D HA 0.177 4.822 4.640 0.009 0.000 0.253 201 D C -0.811 175.625 176.300 0.227 0.000 1.294 201 D CA 0.248 54.352 54.000 0.173 0.000 1.063 201 D CB -0.438 40.472 40.800 0.184 0.000 1.096 201 D HN 0.477 nan 8.370 nan 0.000 0.516 202 M N 0.597 120.287 119.600 0.150 0.000 2.956 202 M HA 0.354 4.839 4.480 0.009 0.000 0.272 202 M C -1.339 175.045 176.300 0.139 0.000 1.132 202 M CA -1.202 54.136 55.300 0.063 0.000 0.805 202 M CB 0.862 33.424 32.600 -0.063 0.000 1.639 202 M HN -0.074 nan 8.290 nan 0.000 0.520 203 W N 1.900 123.308 121.300 0.180 0.000 2.231 203 W HA 0.279 4.945 4.660 0.009 0.000 0.341 203 W C 0.245 176.784 176.519 0.033 0.000 1.298 203 W CA 0.054 57.484 57.345 0.142 0.000 1.266 203 W CB 0.313 29.794 29.460 0.034 0.000 1.172 203 W HN 0.310 nan 8.180 nan 0.000 0.568 204 R N 4.590 125.264 120.500 0.290 0.000 2.204 204 R HA 0.428 4.773 4.340 0.009 0.000 0.341 204 R C -0.170 176.148 176.300 0.030 0.000 1.035 204 R CA -0.341 55.850 56.100 0.153 0.000 0.887 204 R CB 0.190 30.635 30.300 0.241 0.000 1.114 204 R HN 0.548 nan 8.270 nan 0.000 0.473 205 M N 0.274 119.787 119.600 -0.145 0.000 2.792 205 M HA 0.551 5.037 4.480 0.009 0.000 0.290 205 M C -0.189 175.794 176.300 -0.528 0.000 1.155 205 M CA -0.762 54.335 55.300 -0.338 0.000 0.781 205 M CB 2.229 34.622 32.600 -0.345 0.000 1.741 205 M HN 0.649 nan 8.290 nan 0.000 0.473 206 S N -1.155 114.107 115.700 -0.730 0.000 2.595 206 S HA 0.904 5.379 4.470 0.009 0.000 0.270 206 S C -0.662 173.482 174.600 -0.760 0.000 1.145 206 S CA -0.276 57.416 58.200 -0.848 0.000 0.825 206 S CB 1.622 64.161 63.200 -1.102 0.000 1.107 206 S HN 1.449 nan 8.310 nan 0.000 0.461 207 G N 0.158 108.746 108.800 -0.353 0.000 2.343 207 G HA2 0.159 4.124 3.960 0.009 0.000 0.562 207 G HA3 0.159 4.124 3.960 0.009 0.000 0.562 207 G C -1.266 173.649 174.900 0.025 0.000 1.269 207 G CA -0.638 44.493 45.100 0.050 0.000 1.011 207 G HN 1.187 nan 8.290 nan 0.000 0.498 208 I N 2.152 122.585 120.570 -0.228 0.000 2.227 208 I HA 0.233 4.409 4.170 0.009 0.000 0.297 208 I C 1.295 177.267 176.117 -0.243 0.000 1.173 208 I CA -0.037 61.020 61.300 -0.404 0.000 1.356 208 I CB -0.479 37.031 38.000 -0.818 0.000 1.485 208 I HN 0.495 nan 8.210 nan 0.000 0.604 209 F N 4.029 123.829 119.950 -0.250 0.000 2.727 209 F HA 0.401 4.933 4.527 0.008 0.000 0.302 209 F C 0.798 176.517 175.800 -0.135 0.000 1.097 209 F CA -0.529 57.357 58.000 -0.191 0.000 1.330 209 F CB 0.045 38.939 39.000 -0.178 0.000 1.084 209 F HN 0.119 nan 8.300 nan 0.000 0.578 210 R N 0.664 120.700 120.500 -0.774 0.000 2.950 210 R HA 0.287 4.632 4.340 0.009 0.000 0.253 210 R C -0.894 175.190 176.300 -0.361 0.000 1.168 210 R CA -1.077 54.719 56.100 -0.506 0.000 1.014 210 R CB 0.474 30.433 30.300 -0.568 0.000 1.228 210 R HN 0.005 nan 8.270 nan 0.000 0.487 211 D N 0.356 120.604 120.400 -0.254 0.000 2.354 211 D HA 0.221 4.866 4.640 0.009 0.000 0.238 211 D C -0.384 175.757 176.300 -0.265 0.000 1.250 211 D CA 0.062 53.936 54.000 -0.210 0.000 0.911 211 D CB 0.467 41.192 40.800 -0.124 0.000 1.163 211 D HN 0.037 nan 8.370 nan 0.000 0.456 212 V N 0.333 120.099 119.914 -0.247 0.000 2.577 212 V HA 0.585 4.710 4.120 0.009 0.000 0.303 212 V C -0.339 175.624 176.094 -0.219 0.000 1.042 212 V CA -0.575 61.521 62.300 -0.340 0.000 0.872 212 V CB 1.649 33.262 31.823 -0.350 0.000 0.998 212 V HN 0.590 nan 8.190 nan 0.000 0.423 213 S N 4.426 119.977 115.700 -0.248 0.000 2.651 213 S HA 0.784 5.259 4.470 0.009 0.000 0.279 213 S C -1.234 173.314 174.600 -0.088 0.000 1.148 213 S CA -0.764 57.363 58.200 -0.122 0.000 0.837 213 S CB 2.116 65.279 63.200 -0.061 0.000 1.138 213 S HN 0.515 nan 8.310 nan 0.000 0.478 214 L N 2.056 123.295 121.223 0.026 0.000 2.385 214 L HA 0.637 4.982 4.340 0.009 0.000 0.273 214 L C -1.667 175.336 176.870 0.221 0.000 0.990 214 L CA -0.721 54.210 54.840 0.151 0.000 0.821 214 L CB 1.754 43.959 42.059 0.243 0.000 1.279 214 L HN 0.541 nan 8.230 nan 0.000 0.412 215 L N 3.100 124.418 121.223 0.160 0.000 2.385 215 L HA 0.478 4.823 4.340 0.009 0.000 0.273 215 L C -0.955 175.854 176.870 -0.102 0.000 0.990 215 L CA -0.280 54.588 54.840 0.046 0.000 0.821 215 L CB 1.708 43.789 42.059 0.037 0.000 1.279 215 L HN 0.489 nan 8.230 nan 0.000 0.412 216 H N 4.278 123.054 119.070 -0.489 0.000 2.597 216 H HA 0.542 5.103 4.556 0.009 0.000 0.303 216 H C -1.119 173.943 175.328 -0.443 0.000 1.057 216 H CA -0.196 55.403 56.048 -0.748 0.000 1.261 216 H CB 0.710 29.395 29.762 -1.795 0.000 1.397 216 H HN 0.589 nan 8.280 nan 0.000 0.461 217 K N 5.708 125.614 120.400 -0.823 0.000 2.281 217 K HA 0.370 4.695 4.320 0.009 0.000 0.242 217 K C -2.627 173.608 176.600 -0.608 0.000 0.971 217 K CA -2.192 53.751 56.287 -0.573 0.000 0.834 217 K CB 1.652 33.947 32.500 -0.343 0.000 1.181 217 K HN 0.472 nan 8.250 nan 0.000 0.435 218 P HA 0.035 nan 4.420 nan 0.000 0.273 218 P C 0.225 177.410 177.300 -0.192 0.000 1.250 218 P CA -0.105 62.856 63.100 -0.233 0.000 0.793 218 P CB 0.353 31.972 31.700 -0.134 0.000 1.011 219 T N -2.634 111.849 114.554 -0.119 0.000 2.942 219 T HA -0.000 4.355 4.350 0.009 0.000 0.265 219 T C 0.604 175.250 174.700 -0.090 0.000 1.062 219 T CA 1.272 63.317 62.100 -0.092 0.000 1.139 219 T CB -0.500 68.338 68.868 -0.049 0.000 0.883 219 T HN 0.352 nan 8.240 nan 0.000 0.468 220 T N 3.445 117.948 114.554 -0.084 0.000 2.770 220 T HA 0.490 4.846 4.350 0.009 0.000 0.297 220 T C -0.349 174.288 174.700 -0.104 0.000 0.997 220 T CA -0.766 61.279 62.100 -0.092 0.000 0.949 220 T CB 0.895 69.726 68.868 -0.063 0.000 0.941 220 T HN 0.503 nan 8.240 nan 0.000 0.457 221 Q N 2.580 122.300 119.800 -0.133 0.000 2.693 221 Q HA 0.629 4.974 4.340 0.009 0.000 0.306 221 Q C -1.220 174.688 176.000 -0.154 0.000 0.969 221 Q CA -1.192 54.518 55.803 -0.155 0.000 0.757 221 Q CB 1.335 29.951 28.738 -0.202 0.000 1.494 221 Q HN 0.441 nan 8.270 nan 0.000 0.459 222 I N 2.506 122.956 120.570 -0.200 0.000 2.337 222 I HA 0.066 4.241 4.170 0.009 0.000 0.291 222 I C 0.640 176.628 176.117 -0.215 0.000 1.046 222 I CA -0.151 61.049 61.300 -0.168 0.000 1.324 222 I CB 1.280 39.147 38.000 -0.221 0.000 1.409 222 I HN 0.826 nan 8.210 nan 0.000 0.494 223 S N 2.995 118.679 115.700 -0.026 0.000 2.470 223 S HA 0.134 4.609 4.470 0.009 0.000 0.222 223 S C 0.263 175.050 174.600 0.312 0.000 1.024 223 S CA -0.088 58.155 58.200 0.072 0.000 0.931 223 S CB 0.179 63.389 63.200 0.016 0.000 0.791 223 S HN 0.746 nan 8.310 nan 0.000 0.513 224 D N -0.521 120.090 120.400 0.353 0.000 2.742 224 D HA 0.504 5.149 4.640 0.009 0.000 0.262 224 D C -1.898 174.644 176.300 0.403 0.000 1.240 224 D CA -0.817 53.431 54.000 0.413 0.000 0.752 224 D CB 1.313 42.239 40.800 0.209 0.000 1.290 224 D HN 0.199 nan 8.370 nan 0.000 0.420 225 F N -0.756 119.295 119.950 0.169 0.000 2.688 225 F HA 0.670 5.203 4.527 0.009 0.000 0.308 225 F C -1.592 174.327 175.800 0.198 0.000 1.117 225 F CA -0.763 57.249 58.000 0.020 0.000 0.976 225 F CB 1.225 40.264 39.000 0.066 0.000 1.291 225 F HN 0.319 nan 8.300 nan 0.000 0.439 226 H N 0.950 120.045 119.070 0.042 0.000 2.821 226 H HA 0.805 5.366 4.556 0.009 0.000 0.373 226 H C -1.388 173.960 175.328 0.033 0.000 1.165 226 H CA -1.591 54.415 56.048 -0.071 0.000 1.154 226 H CB 2.710 32.437 29.762 -0.059 0.000 1.765 226 H HN 0.618 nan 8.280 nan 0.000 0.549 227 V N 0.985 120.984 119.914 0.142 0.000 2.769 227 V HA 0.825 4.950 4.120 0.009 0.000 0.312 227 V C -0.410 175.673 176.094 -0.019 0.000 1.058 227 V CA -0.527 61.807 62.300 0.056 0.000 0.952 227 V CB 1.630 33.472 31.823 0.031 0.000 1.019 227 V HN 0.978 nan 8.190 nan 0.000 0.445 228 A N 1.931 124.709 122.820 -0.070 0.000 2.589 228 A HA 0.849 5.174 4.320 0.009 0.000 0.296 228 A C -0.543 176.931 177.584 -0.184 0.000 1.062 228 A CA -0.269 51.707 52.037 -0.102 0.000 0.686 228 A CB 2.160 21.129 19.000 -0.052 0.000 1.282 228 A HN 1.003 nan 8.150 nan 0.000 0.404 229 T N -0.124 114.299 114.554 -0.219 0.000 2.881 229 T HA 0.739 5.095 4.350 0.009 0.000 0.291 229 T C -0.484 173.967 174.700 -0.415 0.000 0.990 229 T CA -0.634 61.248 62.100 -0.363 0.000 0.976 229 T CB 1.016 69.571 68.868 -0.521 0.000 0.970 229 T HN 0.719 nan 8.240 nan 0.000 0.438 230 R N 1.974 122.206 120.500 -0.447 0.000 2.668 230 R HA 0.798 5.143 4.340 0.009 0.000 0.279 230 R C -0.955 174.900 176.300 -0.742 0.000 0.976 230 R CA -0.697 55.160 56.100 -0.405 0.000 0.978 230 R CB 1.275 31.468 30.300 -0.178 0.000 1.133 230 R HN 0.567 nan 8.270 nan 0.000 0.484 231 F N 0.147 120.099 119.950 0.004 0.000 2.631 231 F HA 0.384 4.915 4.527 0.007 0.000 0.328 231 F C 0.538 176.218 175.800 -0.200 0.000 1.067 231 F CA -1.061 56.886 58.000 -0.088 0.000 0.969 231 F CB 1.133 39.995 39.000 -0.229 0.000 1.332 231 F HN 0.537 nan 8.300 nan 0.000 0.490 232 N N 0.110 118.798 118.700 -0.021 0.000 2.491 232 N HA 0.078 4.823 4.740 0.009 0.000 0.279 232 N C 0.461 175.826 175.510 -0.241 0.000 1.236 232 N CA -0.175 52.817 53.050 -0.098 0.000 0.982 232 N CB 0.483 38.945 38.487 -0.042 0.000 1.194 232 N HN 0.739 nan 8.380 nan 0.000 0.582 233 D N -0.432 119.876 120.400 -0.154 0.000 2.172 233 D HA -0.271 4.374 4.640 0.009 0.000 0.196 233 D C 0.320 176.510 176.300 -0.184 0.000 0.999 233 D CA 1.937 55.844 54.000 -0.155 0.000 0.856 233 D CB -0.518 40.246 40.800 -0.059 0.000 0.934 233 D HN 0.744 nan 8.370 nan 0.000 0.453 234 D N -2.072 118.264 120.400 -0.106 0.000 2.440 234 D HA 0.050 4.695 4.640 0.009 0.000 0.216 234 D C 0.321 176.746 176.300 0.208 0.000 1.150 234 D CA -0.796 53.244 54.000 0.066 0.000 0.832 234 D CB -1.066 39.790 40.800 0.092 0.000 0.992 234 D HN 0.254 nan 8.370 nan 0.000 0.502 235 F N 0.282 120.276 119.950 0.074 0.000 2.953 235 F HA -0.307 4.225 4.527 0.007 0.000 0.292 235 F C 1.650 177.508 175.800 0.097 0.000 0.747 235 F CA 0.809 58.859 58.000 0.083 0.000 1.222 235 F CB -2.371 36.575 39.000 -0.089 0.000 1.457 235 F HN 0.172 nan 8.300 nan 0.000 0.383 236 S N -0.246 115.560 115.700 0.178 0.000 2.527 236 S HA 0.106 4.581 4.470 0.009 0.000 0.222 236 S C 0.658 175.315 174.600 0.094 0.000 0.985 236 S CA 0.269 58.541 58.200 0.121 0.000 0.921 236 S CB 0.120 63.365 63.200 0.076 0.000 0.772 236 S HN 0.492 nan 8.310 nan 0.000 0.529 237 R N 0.356 120.923 120.500 0.112 0.000 2.651 237 R HA 0.835 5.180 4.340 0.009 0.000 0.278 237 R C -1.316 175.034 176.300 0.083 0.000 1.010 237 R CA -0.690 55.448 56.100 0.063 0.000 0.896 237 R CB 1.606 31.914 30.300 0.014 0.000 1.211 237 R HN 0.124 nan 8.270 nan 0.000 0.456 238 A N 1.596 124.413 122.820 -0.004 0.000 2.479 238 A HA 0.774 5.099 4.320 0.009 0.000 0.296 238 A C -1.126 176.406 177.584 -0.088 0.000 1.121 238 A CA -0.811 51.160 52.037 -0.111 0.000 0.743 238 A CB 2.284 21.233 19.000 -0.085 0.000 1.323 238 A HN 0.359 nan 8.150 nan 0.000 0.415 239 V N 1.066 120.899 119.914 -0.135 0.000 2.531 239 V HA 0.478 4.603 4.120 0.009 0.000 0.301 239 V C -0.850 175.200 176.094 -0.073 0.000 1.034 239 V CA -0.404 61.849 62.300 -0.079 0.000 0.865 239 V CB 1.375 33.140 31.823 -0.097 0.000 0.995 239 V HN 0.822 nan 8.190 nan 0.000 0.424 240 L N 4.270 125.481 121.223 -0.019 0.000 2.295 240 L HA 0.623 4.968 4.340 0.009 0.000 0.285 240 L C -0.159 176.674 176.870 -0.061 0.000 1.035 240 L CA 0.460 55.262 54.840 -0.064 0.000 0.806 240 L CB 1.264 43.310 42.059 -0.021 0.000 1.214 240 L HN 0.748 nan 8.230 nan 0.000 0.426 241 E N 3.869 124.025 120.200 -0.074 0.000 2.191 241 E HA 0.710 5.065 4.350 0.009 0.000 0.263 241 E C -1.508 175.082 176.600 -0.017 0.000 0.881 241 E CA -0.816 55.557 56.400 -0.044 0.000 0.757 241 E CB 1.671 31.343 29.700 -0.047 0.000 1.147 241 E HN 0.777 nan 8.360 nan 0.000 0.414 242 A N 4.166 126.983 122.820 -0.005 0.000 2.343 242 A HA 0.408 4.733 4.320 0.009 0.000 0.316 242 A C -0.820 176.764 177.584 -0.001 0.000 1.104 242 A CA -0.648 51.407 52.037 0.030 0.000 0.768 242 A CB 1.290 20.315 19.000 0.042 0.000 1.213 242 A HN 0.670 nan 8.150 nan 0.000 0.456 243 E N 2.455 122.646 120.200 -0.015 0.000 2.176 243 E HA 0.588 4.943 4.350 0.009 0.000 0.267 243 E C -1.608 174.929 176.600 -0.105 0.000 0.893 243 E CA -0.460 55.881 56.400 -0.098 0.000 0.761 243 E CB 1.503 31.102 29.700 -0.168 0.000 1.133 243 E HN 0.395 nan 8.360 nan 0.000 0.409 244 V N 4.737 124.631 119.914 -0.034 0.000 2.604 244 V HA 0.343 4.468 4.120 0.009 0.000 0.305 244 V C -0.451 175.716 176.094 0.122 0.000 1.043 244 V CA -0.799 61.535 62.300 0.057 0.000 0.888 244 V CB 1.594 33.451 31.823 0.056 0.000 0.995 244 V HN 0.735 nan 8.190 nan 0.000 0.429 245 Q N 4.205 124.069 119.800 0.107 0.000 2.413 245 Q HA 0.890 5.236 4.340 0.009 0.000 0.276 245 Q C -0.983 175.044 176.000 0.045 0.000 1.099 245 Q CA -1.027 54.823 55.803 0.080 0.000 0.814 245 Q CB 2.925 31.652 28.738 -0.019 0.000 1.379 245 Q HN 0.794 nan 8.270 nan 0.000 0.436 246 M N -0.654 118.877 119.600 -0.115 0.000 2.690 246 M HA 0.800 5.285 4.480 0.009 0.000 0.302 246 M C -1.478 174.691 176.300 -0.219 0.000 1.234 246 M CA -0.432 54.738 55.300 -0.216 0.000 0.853 246 M CB 2.299 34.590 32.600 -0.515 0.000 1.748 246 M HN 0.631 nan 8.290 nan 0.000 0.469 247 C N 1.219 120.408 119.300 -0.184 0.000 2.563 247 C HA 1.020 5.485 4.460 0.009 0.000 0.314 247 C C 0.490 175.389 174.990 -0.151 0.000 1.199 247 C CA 0.711 59.642 59.018 -0.145 0.000 1.564 247 C CB 0.771 28.452 27.740 -0.098 0.000 2.173 247 C HN 1.343 nan 8.230 nan 0.000 0.485 248 G N 3.533 112.254 108.800 -0.132 0.000 2.331 248 G HA2 0.106 4.071 3.960 0.009 0.000 0.479 248 G HA3 0.106 4.071 3.960 0.009 0.000 0.479 248 G C -1.446 173.378 174.900 -0.127 0.000 1.262 248 G CA -0.661 44.370 45.100 -0.115 0.000 1.029 248 G HN 0.784 nan 8.290 nan 0.000 0.487 249 E N 0.068 120.204 120.200 -0.106 0.000 2.200 249 E HA 0.617 4.973 4.350 0.009 0.000 0.283 249 E C 0.243 176.744 176.600 -0.165 0.000 1.015 249 E CA -0.789 55.542 56.400 -0.116 0.000 0.819 249 E CB 1.748 31.398 29.700 -0.082 0.000 1.081 249 E HN 0.563 nan 8.360 nan 0.000 0.397 250 L N 3.555 124.669 121.223 -0.182 0.000 2.530 250 L HA 0.182 4.527 4.340 0.009 0.000 0.273 250 L C -0.217 176.524 176.870 -0.215 0.000 1.141 250 L CA 0.049 54.760 54.840 -0.216 0.000 0.905 250 L CB 0.127 42.077 42.059 -0.183 0.000 1.202 250 L HN 0.459 nan 8.230 nan 0.000 0.473 251 R N 1.691 121.993 120.500 -0.329 0.000 2.561 251 R HA 0.154 4.500 4.340 0.009 0.000 0.297 251 R C 0.597 176.604 176.300 -0.488 0.000 0.969 251 R CA -0.681 55.126 56.100 -0.488 0.000 0.879 251 R CB 1.184 30.938 30.300 -0.910 0.000 1.178 251 R HN 0.585 nan 8.270 nan 0.000 0.445 252 D N 2.231 122.476 120.400 -0.259 0.000 2.322 252 D HA -0.271 4.374 4.640 0.009 0.000 0.210 252 D C 0.967 177.241 176.300 -0.043 0.000 0.983 252 D CA 1.411 55.350 54.000 -0.102 0.000 0.902 252 D CB -0.403 40.389 40.800 -0.014 0.000 0.905 252 D HN 0.725 nan 8.370 nan 0.000 0.483 253 Y N -0.527 119.791 120.300 0.029 0.000 2.490 253 Y HA 0.363 4.918 4.550 0.009 0.000 0.281 253 Y C 0.612 176.526 175.900 0.023 0.000 1.174 253 Y CA -0.951 57.164 58.100 0.026 0.000 1.295 253 Y CB -0.758 37.718 38.460 0.026 0.000 1.062 253 Y HN -0.159 nan 8.280 nan 0.000 0.522 254 L N 3.051 124.239 121.223 -0.057 0.000 2.380 254 L HA 0.358 4.703 4.340 0.009 0.000 0.273 254 L C 0.280 177.135 176.870 -0.025 0.000 1.138 254 L CA -0.013 54.839 54.840 0.020 0.000 0.832 254 L CB 0.587 42.673 42.059 0.046 0.000 1.124 254 L HN 0.208 nan 8.230 nan 0.000 0.454 255 R N 2.289 122.667 120.500 -0.202 0.000 2.817 255 R HA 0.772 5.117 4.340 0.009 0.000 0.268 255 R C -1.555 174.365 176.300 -0.633 0.000 1.027 255 R CA -0.887 54.947 56.100 -0.443 0.000 0.928 255 R CB 2.386 32.400 30.300 -0.475 0.000 1.228 255 R HN 0.276 nan 8.270 nan 0.000 0.469 256 V N 0.671 120.261 119.914 -0.540 0.000 2.760 256 V HA 0.474 4.599 4.120 0.009 0.000 0.309 256 V C -0.607 175.397 176.094 -0.149 0.000 1.077 256 V CA -0.628 61.448 62.300 -0.372 0.000 0.910 256 V CB 2.380 33.943 31.823 -0.434 0.000 1.008 256 V HN 0.768 nan 8.190 nan 0.000 0.424 257 T N 3.562 118.126 114.554 0.018 0.000 2.841 257 T HA 0.626 4.981 4.350 0.009 0.000 0.285 257 T C -0.789 173.924 174.700 0.022 0.000 0.991 257 T CA -0.420 61.728 62.100 0.080 0.000 0.966 257 T CB 1.773 70.762 68.868 0.201 0.000 0.962 257 T HN 0.349 nan 8.240 nan 0.000 0.438 258 V N 3.802 123.714 119.914 -0.004 0.000 2.409 258 V HA 0.668 4.794 4.120 0.009 0.000 0.291 258 V C -0.235 175.864 176.094 0.009 0.000 1.020 258 V CA -0.726 61.570 62.300 -0.006 0.000 0.848 258 V CB 1.758 33.563 31.823 -0.029 0.000 0.990 258 V HN 1.066 nan 8.190 nan 0.000 0.430 259 S N 5.378 121.110 115.700 0.054 0.000 2.526 259 S HA 0.841 5.316 4.470 0.009 0.000 0.293 259 S C -1.055 173.563 174.600 0.031 0.000 1.092 259 S CA -0.766 57.443 58.200 0.013 0.000 0.980 259 S CB 2.274 65.547 63.200 0.122 0.000 1.048 259 S HN 0.500 nan 8.310 nan 0.000 0.483 260 L N 2.500 123.617 121.223 -0.177 0.000 2.325 260 L HA 0.729 5.074 4.340 0.009 0.000 0.281 260 L C -1.917 174.785 176.870 -0.280 0.000 1.004 260 L CA -0.307 54.509 54.840 -0.040 0.000 0.823 260 L CB 0.576 42.657 42.059 0.037 0.000 1.236 260 L HN 0.859 nan 8.230 nan 0.000 0.415 261 W N 3.501 124.895 121.300 0.157 0.000 2.627 261 W HA 0.612 5.277 4.660 0.009 0.000 0.339 261 W C -0.359 176.233 176.519 0.121 0.000 1.058 261 W CA -0.476 56.937 57.345 0.113 0.000 1.223 261 W CB 1.303 30.789 29.460 0.043 0.000 1.389 261 W HN 0.454 nan 8.180 nan 0.000 0.541 262 Q N 2.491 122.444 119.800 0.255 0.000 2.674 262 Q HA 0.489 4.834 4.340 0.009 0.000 0.249 262 Q C 0.559 176.600 176.000 0.068 0.000 1.011 262 Q CA 0.530 56.339 55.803 0.011 0.000 0.734 262 Q CB 0.435 29.051 28.738 -0.202 0.000 1.201 262 Q HN 0.794 nan 8.270 nan 0.000 0.498 263 G N 2.741 111.598 108.800 0.094 0.000 2.728 263 G HA2 -0.282 3.683 3.960 0.009 0.000 0.269 263 G HA3 -0.282 3.683 3.960 0.009 0.000 0.269 263 G C 0.416 175.397 174.900 0.135 0.000 1.334 263 G CA 0.241 45.384 45.100 0.071 0.000 0.974 263 G HN 0.530 nan 8.290 nan 0.000 0.550 264 E N 0.932 121.222 120.200 0.150 0.000 2.473 264 E HA 0.205 4.560 4.350 0.009 0.000 0.204 264 E C 0.667 177.488 176.600 0.368 0.000 0.994 264 E CA 0.673 57.177 56.400 0.175 0.000 0.945 264 E CB 0.549 30.301 29.700 0.086 0.000 0.990 264 E HN 0.388 nan 8.360 nan 0.000 0.493 265 T N 2.444 117.175 114.554 0.295 0.000 2.729 265 T HA 0.123 4.478 4.350 0.009 0.000 0.296 265 T C 0.172 174.913 174.700 0.069 0.000 0.928 265 T CA -0.136 62.074 62.100 0.184 0.000 1.045 265 T CB 0.997 69.911 68.868 0.077 0.000 0.902 265 T HN 0.038 nan 8.240 nan 0.000 0.500 266 Q N 3.449 123.074 119.800 -0.292 0.000 2.286 266 Q HA 0.289 4.634 4.340 0.009 0.000 0.257 266 Q C -0.103 175.630 176.000 -0.445 0.000 0.941 266 Q CA -0.470 54.747 55.803 -0.977 0.000 0.912 266 Q CB 0.834 28.663 28.738 -1.516 0.000 1.192 266 Q HN 0.458 nan 8.270 nan 0.000 0.410 267 V N 2.581 122.271 119.914 -0.372 0.000 3.085 267 V HA 0.399 4.524 4.120 0.009 0.000 0.245 267 V C 0.219 176.223 176.094 -0.151 0.000 1.114 267 V CA 0.909 63.119 62.300 -0.150 0.000 1.108 267 V CB 0.571 32.401 31.823 0.012 0.000 0.798 267 V HN 0.847 nan 8.190 nan 0.000 0.471 268 A N -0.572 122.121 122.820 -0.212 0.000 2.605 268 A HA 0.762 5.087 4.320 0.009 0.000 0.294 268 A C -0.750 176.722 177.584 -0.187 0.000 1.062 268 A CA 0.205 52.147 52.037 -0.157 0.000 0.682 268 A CB 1.847 20.794 19.000 -0.089 0.000 1.278 268 A HN 0.228 nan 8.150 nan 0.000 0.410 269 S N 0.144 115.764 115.700 -0.132 0.000 2.541 269 S HA 0.873 5.348 4.470 0.009 0.000 0.271 269 S C -0.425 174.140 174.600 -0.059 0.000 1.133 269 S CA 0.206 58.347 58.200 -0.097 0.000 0.876 269 S CB 1.729 64.872 63.200 -0.096 0.000 1.105 269 S HN 2.368 nan 8.310 nan 0.000 0.470 270 G N 1.514 110.290 108.800 -0.039 0.000 2.719 270 G HA2 0.632 4.597 3.960 0.009 0.000 0.298 270 G HA3 0.632 4.597 3.960 0.009 0.000 0.298 270 G C -1.342 173.544 174.900 -0.024 0.000 1.411 270 G CA -0.540 44.539 45.100 -0.035 0.000 0.991 270 G HN 0.779 nan 8.290 nan 0.000 0.509 271 T N 0.019 114.559 114.554 -0.023 0.000 2.861 271 T HA 0.863 5.218 4.350 0.009 0.000 0.287 271 T C -0.160 174.504 174.700 -0.059 0.000 1.003 271 T CA -0.026 62.065 62.100 -0.016 0.000 0.977 271 T CB 1.786 70.680 68.868 0.043 0.000 0.996 271 T HN 1.561 nan 8.240 nan 0.000 0.448 272 A N 3.639 126.386 122.820 -0.123 0.000 2.586 272 A HA 0.944 5.269 4.320 0.009 0.000 0.290 272 A C -3.198 174.227 177.584 -0.264 0.000 1.086 272 A CA -1.458 50.485 52.037 -0.156 0.000 0.665 272 A CB 1.320 20.231 19.000 -0.148 0.000 1.279 272 A HN 0.539 nan 8.150 nan 0.000 0.423 273 P HA 0.650 nan 4.420 nan 0.000 0.287 273 P C -0.803 176.336 177.300 -0.269 0.000 1.290 273 P CA -0.609 62.351 63.100 -0.233 0.000 0.889 273 P CB 0.639 32.293 31.700 -0.078 0.000 1.190 274 F N 0.363 120.270 119.950 -0.070 0.000 2.545 274 F HA 0.420 4.952 4.527 0.008 0.000 0.348 274 F C 1.555 177.335 175.800 -0.033 0.000 1.163 274 F CA 1.799 59.767 58.000 -0.054 0.000 1.331 274 F CB 0.017 38.978 39.000 -0.066 0.000 1.138 274 F HN 0.592 nan 8.300 nan 0.000 0.602 275 G N 1.749 110.677 108.800 0.214 0.000 2.951 275 G HA2 0.338 4.303 3.960 0.009 0.000 0.508 275 G HA3 0.338 4.303 3.960 0.009 0.000 0.508 275 G C -0.442 174.509 174.900 0.085 0.000 1.203 275 G CA -0.772 44.402 45.100 0.124 0.000 1.209 275 G HN 1.049 nan 8.290 nan 0.000 0.552 276 G N 0.631 109.499 108.800 0.114 0.000 2.588 276 G HA2 0.663 4.628 3.960 0.009 0.000 0.281 276 G HA3 0.663 4.628 3.960 0.009 0.000 0.281 276 G C 0.248 175.186 174.900 0.063 0.000 1.236 276 G CA -0.356 44.800 45.100 0.093 0.000 0.969 276 G HN 0.819 nan 8.290 nan 0.000 0.504 277 E N -0.782 119.449 120.200 0.053 0.000 2.392 277 E HA 0.253 4.609 4.350 0.009 0.000 0.256 277 E C 0.112 176.731 176.600 0.032 0.000 1.145 277 E CA -0.630 55.790 56.400 0.033 0.000 0.929 277 E CB 0.512 30.226 29.700 0.025 0.000 0.998 277 E HN 0.096 nan 8.360 nan 0.000 0.442 278 I N 2.307 122.885 120.570 0.013 0.000 2.618 278 I HA -0.065 4.110 4.170 0.009 0.000 0.284 278 I C 1.210 177.331 176.117 0.007 0.000 1.146 278 I CA 0.127 61.427 61.300 0.000 0.000 1.425 278 I CB -0.112 37.885 38.000 -0.006 0.000 1.383 278 I HN 0.680 nan 8.210 nan 0.000 0.562 279 I N 2.399 122.966 120.570 -0.006 0.000 3.616 279 I HA 0.237 4.412 4.170 0.009 0.000 0.296 279 I C -0.111 176.003 176.117 -0.005 0.000 1.226 279 I CA 0.288 61.594 61.300 0.010 0.000 1.394 279 I CB 0.613 38.645 38.000 0.055 0.000 1.171 279 I HN 0.563 nan 8.210 nan 0.000 0.442 280 D N -0.028 120.356 120.400 -0.027 0.000 2.895 280 D HA 0.184 4.829 4.640 0.009 0.000 0.320 280 D C 0.372 176.654 176.300 -0.031 0.000 1.249 280 D CA -0.452 53.533 54.000 -0.024 0.000 0.997 280 D CB 0.520 41.305 40.800 -0.025 0.000 1.430 280 D HN -0.126 nan 8.370 nan 0.000 0.558 281 E N -0.952 119.232 120.200 -0.027 0.000 2.267 281 E HA -0.085 4.270 4.350 0.009 0.000 0.197 281 E C 1.448 178.027 176.600 -0.035 0.000 0.998 281 E CA 1.109 57.494 56.400 -0.026 0.000 0.830 281 E CB -0.055 29.634 29.700 -0.020 0.000 0.751 281 E HN 0.252 nan 8.360 nan 0.000 0.491 282 R N -0.586 119.884 120.500 -0.051 0.000 2.312 282 R HA 0.336 4.682 4.340 0.009 0.000 0.205 282 R C 1.043 177.298 176.300 -0.075 0.000 0.904 282 R CA 0.745 56.809 56.100 -0.062 0.000 1.052 282 R CB 0.757 31.012 30.300 -0.074 0.000 1.014 282 R HN 0.194 nan 8.270 nan 0.000 0.503 283 G N -0.246 108.508 108.800 -0.077 0.000 2.317 283 G HA2 -0.016 3.949 3.960 0.009 0.000 0.196 283 G HA3 -0.016 3.949 3.960 0.009 0.000 0.196 283 G C -0.477 174.360 174.900 -0.105 0.000 1.255 283 G CA -0.602 44.452 45.100 -0.076 0.000 1.243 283 G HN 0.488 nan 8.290 nan 0.000 0.535 284 G N -1.798 106.934 108.800 -0.113 0.000 3.015 284 G HA2 0.652 4.617 3.960 0.009 0.000 0.281 284 G HA3 0.652 4.617 3.960 0.009 0.000 0.281 284 G C -1.579 173.203 174.900 -0.196 0.000 1.386 284 G CA -0.769 44.261 45.100 -0.116 0.000 0.959 284 G HN 0.732 nan 8.290 nan 0.000 0.522 285 Y N 0.729 121.036 120.300 0.011 0.000 2.404 285 Y HA 0.413 4.968 4.550 0.008 0.000 0.344 285 Y C 1.401 177.315 175.900 0.024 0.000 0.995 285 Y CA 0.257 58.365 58.100 0.013 0.000 1.201 285 Y CB 1.837 40.309 38.460 0.020 0.000 1.151 285 Y HN 0.544 nan 8.280 nan 0.000 0.517 286 A N 1.829 124.719 122.820 0.116 0.000 2.072 286 A HA -0.097 4.228 4.320 0.009 0.000 0.216 286 A C 1.283 178.920 177.584 0.090 0.000 1.156 286 A CA 1.064 53.152 52.037 0.085 0.000 0.701 286 A CB -0.215 18.796 19.000 0.018 0.000 0.816 286 A HN 0.797 nan 8.150 nan 0.000 0.458 287 D N -0.796 119.639 120.400 0.059 0.000 2.395 287 D HA 0.184 4.829 4.640 0.009 0.000 0.226 287 D C 0.449 176.771 176.300 0.037 0.000 1.146 287 D CA -0.003 53.926 54.000 -0.119 0.000 0.830 287 D CB -0.041 40.683 40.800 -0.127 0.000 0.958 287 D HN 0.312 nan 8.370 nan 0.000 0.501 288 R N -0.856 119.810 120.500 0.277 0.000 2.808 288 R HA 0.730 5.076 4.340 0.009 0.000 0.272 288 R C -1.747 174.735 176.300 0.304 0.000 0.995 288 R CA -1.062 55.209 56.100 0.286 0.000 0.917 288 R CB 3.060 33.410 30.300 0.083 0.000 1.217 288 R HN -0.012 nan 8.270 nan 0.000 0.471 289 V N 0.464 120.458 119.914 0.132 0.000 3.048 289 V HA 0.569 4.694 4.120 0.009 0.000 0.303 289 V C -1.631 174.428 176.094 -0.059 0.000 1.214 289 V CA -0.245 62.031 62.300 -0.041 0.000 0.984 289 V CB 2.735 34.375 31.823 -0.305 0.000 1.054 289 V HN 0.806 nan 8.190 nan 0.000 0.430 290 T N 7.271 121.791 114.554 -0.058 0.000 2.840 290 T HA 0.695 5.050 4.350 0.009 0.000 0.287 290 T C -0.699 173.967 174.700 -0.057 0.000 0.991 290 T CA -0.242 61.828 62.100 -0.050 0.000 0.964 290 T CB 1.157 70.008 68.868 -0.029 0.000 0.954 290 T HN 0.537 nan 8.240 nan 0.000 0.438 291 L N 2.842 124.032 121.223 -0.056 0.000 2.334 291 L HA 0.714 5.059 4.340 0.009 0.000 0.270 291 L C 0.351 177.197 176.870 -0.041 0.000 1.018 291 L CA -1.077 53.730 54.840 -0.054 0.000 0.811 291 L CB 1.323 43.345 42.059 -0.062 0.000 1.271 291 L HN 0.375 nan 8.230 nan 0.000 0.443 292 R N 2.415 122.891 120.500 -0.040 0.000 2.483 292 R HA 0.636 4.982 4.340 0.009 0.000 0.303 292 R C -1.602 174.676 176.300 -0.037 0.000 0.987 292 R CA -0.638 55.439 56.100 -0.038 0.000 0.881 292 R CB 1.617 31.894 30.300 -0.038 0.000 1.177 292 R HN 0.455 nan 8.270 nan 0.000 0.451 293 L N 2.365 123.569 121.223 -0.032 0.000 2.329 293 L HA 0.476 4.822 4.340 0.009 0.000 0.279 293 L C -0.272 176.582 176.870 -0.026 0.000 1.014 293 L CA -1.079 53.743 54.840 -0.030 0.000 0.814 293 L CB 1.750 43.794 42.059 -0.025 0.000 1.257 293 L HN 0.467 nan 8.230 nan 0.000 0.424 294 N N 1.127 119.806 118.700 -0.035 0.000 2.455 294 N HA 0.512 5.257 4.740 0.009 0.000 0.280 294 N C -1.160 174.321 175.510 -0.049 0.000 1.055 294 N CA -0.256 52.771 53.050 -0.039 0.000 0.961 294 N CB 1.948 40.412 38.487 -0.038 0.000 1.121 294 N HN 0.239 nan 8.380 nan 0.000 0.476 295 V N 1.914 121.788 119.914 -0.068 0.000 2.482 295 V HA 0.285 4.410 4.120 0.009 0.000 0.295 295 V C -0.348 175.680 176.094 -0.109 0.000 1.026 295 V CA -0.835 61.394 62.300 -0.118 0.000 0.856 295 V CB 1.564 33.243 31.823 -0.239 0.000 1.001 295 V HN 0.579 nan 8.190 nan 0.000 0.424 296 E N 3.718 123.873 120.200 -0.074 0.000 2.227 296 E HA 0.287 4.643 4.350 0.009 0.000 0.282 296 E C -0.100 176.476 176.600 -0.041 0.000 1.015 296 E CA -0.309 56.065 56.400 -0.043 0.000 0.823 296 E CB 0.871 30.556 29.700 -0.026 0.000 1.081 296 E HN 0.664 nan 8.360 nan 0.000 0.396 297 N N 2.430 121.121 118.700 -0.014 0.000 2.650 297 N HA -0.126 4.619 4.740 0.009 0.000 0.272 297 N C -2.464 173.033 175.510 -0.022 0.000 1.058 297 N CA 0.341 53.394 53.050 0.004 0.000 0.765 297 N CB -0.897 37.598 38.487 0.013 0.000 0.902 297 N HN 0.283 nan 8.380 nan 0.000 0.551 298 P HA 0.136 nan 4.420 nan 0.000 0.275 298 P C 0.116 177.407 177.300 -0.014 0.000 1.228 298 P CA 0.059 63.033 63.100 -0.210 0.000 0.786 298 P CB 0.921 32.236 31.700 -0.641 0.000 0.927 299 K N 2.254 122.740 120.400 0.144 0.000 2.312 299 K HA 0.295 4.620 4.320 0.009 0.000 0.287 299 K C 0.048 176.784 176.600 0.228 0.000 1.062 299 K CA -0.380 56.004 56.287 0.161 0.000 0.934 299 K CB 0.249 32.845 32.500 0.161 0.000 1.027 299 K HN 0.437 nan 8.250 nan 0.000 0.478 300 L N 2.755 124.038 121.223 0.100 0.000 2.375 300 L HA 0.303 4.648 4.340 0.009 0.000 0.271 300 L C -0.065 176.871 176.870 0.110 0.000 1.107 300 L CA -0.831 54.069 54.840 0.099 0.000 0.806 300 L CB 0.508 42.459 42.059 -0.181 0.000 1.146 300 L HN 0.599 nan 8.230 nan 0.000 0.447 301 W N 3.351 124.669 121.300 0.029 0.000 2.376 301 W HA 0.487 5.151 4.660 0.007 0.000 0.322 301 W C 0.107 176.579 176.519 -0.079 0.000 1.160 301 W CA 0.174 57.531 57.345 0.020 0.000 1.218 301 W CB 1.334 30.855 29.460 0.101 0.000 1.205 301 W HN 0.613 nan 8.180 nan 0.000 0.559 302 S N 3.012 118.188 115.700 -0.873 0.000 2.636 302 S HA 0.621 5.096 4.470 0.009 0.000 0.268 302 S C -0.015 173.810 174.600 -1.292 0.000 1.159 302 S CA -0.314 57.436 58.200 -0.750 0.000 0.815 302 S CB 1.001 63.981 63.200 -0.367 0.000 1.130 302 S HN 1.050 nan 8.310 nan 0.000 0.471 303 A N 0.372 122.660 122.820 -0.886 0.000 2.067 303 A HA 0.154 4.479 4.320 0.009 0.000 0.217 303 A C 1.682 178.954 177.584 -0.519 0.000 1.156 303 A CA 1.204 52.685 52.037 -0.927 0.000 0.683 303 A CB -0.855 17.457 19.000 -1.148 0.000 0.808 303 A HN 0.862 nan 8.150 nan 0.000 0.455 304 E N -0.771 119.263 120.200 -0.277 0.000 2.112 304 E HA 0.086 4.441 4.350 0.009 0.000 0.190 304 E C -0.368 176.120 176.600 -0.187 0.000 0.979 304 E CA 0.693 57.007 56.400 -0.145 0.000 0.814 304 E CB 0.067 29.811 29.700 0.074 0.000 0.762 304 E HN 0.606 nan 8.360 nan 0.000 0.460 305 I N 1.152 121.564 120.570 -0.264 0.000 2.563 305 I HA 0.139 4.314 4.170 0.009 0.000 0.281 305 I C -2.571 173.303 176.117 -0.405 0.000 1.110 305 I CA -1.906 59.249 61.300 -0.241 0.000 1.073 305 I CB 2.472 40.388 38.000 -0.140 0.000 1.215 305 I HN -0.239 nan 8.210 nan 0.000 0.460 306 P HA 0.065 nan 4.420 nan 0.000 0.238 306 P C -0.536 176.760 177.300 -0.006 0.000 1.714 306 P CA -0.217 62.574 63.100 -0.515 0.000 0.908 306 P CB -0.425 31.156 31.700 -0.197 0.000 1.893 307 N N 1.322 120.044 118.700 0.037 0.000 2.411 307 N HA 0.041 4.786 4.740 0.009 0.000 0.265 307 N C 0.082 175.867 175.510 0.458 0.000 1.266 307 N CA 0.697 53.869 53.050 0.204 0.000 0.889 307 N CB 0.441 39.046 38.487 0.197 0.000 1.069 307 N HN 0.279 nan 8.380 nan 0.000 0.476 308 L N 2.511 123.926 121.223 0.320 0.000 2.341 308 L HA 0.496 4.841 4.340 0.009 0.000 0.267 308 L C -0.819 176.224 176.870 0.288 0.000 1.009 308 L CA -0.859 54.206 54.840 0.375 0.000 0.819 308 L CB 1.216 43.433 42.059 0.262 0.000 1.323 308 L HN 0.384 nan 8.230 nan 0.000 0.425 309 Y N 0.289 120.724 120.300 0.225 0.000 2.633 309 Y HA 0.583 5.138 4.550 0.009 0.000 0.339 309 Y C -0.216 175.797 175.900 0.188 0.000 1.045 309 Y CA -1.036 57.198 58.100 0.223 0.000 1.098 309 Y CB 1.711 40.341 38.460 0.283 0.000 1.296 309 Y HN 0.394 nan 8.280 nan 0.000 0.494 310 R N 0.984 121.721 120.500 0.395 0.000 2.445 310 R HA 0.852 5.198 4.340 0.009 0.000 0.308 310 R C -1.510 174.991 176.300 0.335 0.000 0.961 310 R CA -0.596 55.676 56.100 0.286 0.000 0.862 310 R CB 1.036 31.434 30.300 0.162 0.000 1.144 310 R HN 0.801 nan 8.270 nan 0.000 0.447 311 A N 3.957 126.914 122.820 0.230 0.000 2.318 311 A HA 0.579 4.904 4.320 0.009 0.000 0.317 311 A C -1.142 176.512 177.584 0.117 0.000 1.159 311 A CA -0.648 51.508 52.037 0.197 0.000 0.799 311 A CB 1.474 20.562 19.000 0.147 0.000 1.194 311 A HN 0.474 nan 8.150 nan 0.000 0.479 312 V N 2.893 122.886 119.914 0.132 0.000 2.495 312 V HA 0.478 4.603 4.120 0.009 0.000 0.298 312 V C -0.400 175.685 176.094 -0.016 0.000 1.031 312 V CA -0.559 61.758 62.300 0.027 0.000 0.871 312 V CB 1.617 33.467 31.823 0.045 0.000 0.988 312 V HN 0.614 nan 8.190 nan 0.000 0.432 313 V N 4.299 124.139 119.914 -0.122 0.000 2.350 313 V HA 0.445 4.571 4.120 0.009 0.000 0.285 313 V C -0.165 175.872 176.094 -0.096 0.000 1.014 313 V CA -0.544 61.656 62.300 -0.167 0.000 0.831 313 V CB 1.275 32.847 31.823 -0.418 0.000 1.000 313 V HN 0.934 nan 8.190 nan 0.000 0.433 314 E N 3.447 123.640 120.200 -0.012 0.000 2.166 314 E HA 0.551 4.906 4.350 0.009 0.000 0.275 314 E C -1.042 175.605 176.600 0.078 0.000 0.941 314 E CA -0.843 55.595 56.400 0.062 0.000 0.784 314 E CB 2.486 32.282 29.700 0.161 0.000 1.115 314 E HN 0.523 nan 8.360 nan 0.000 0.399 315 L N 5.668 126.927 121.223 0.060 0.000 2.277 315 L HA 0.315 4.660 4.340 0.009 0.000 0.284 315 L C -0.892 176.033 176.870 0.092 0.000 1.028 315 L CA -0.071 54.785 54.840 0.026 0.000 0.835 315 L CB 0.139 42.214 42.059 0.027 0.000 1.215 315 L HN 0.583 nan 8.230 nan 0.000 0.425 316 H N 1.159 120.259 119.070 0.050 0.000 2.941 316 H HA 0.690 5.252 4.556 0.009 0.000 0.344 316 H C -0.839 174.556 175.328 0.111 0.000 1.235 316 H CA -0.361 55.726 56.048 0.065 0.000 1.149 316 H CB 1.019 30.804 29.762 0.038 0.000 1.885 316 H HN 0.493 nan 8.280 nan 0.000 0.558 317 T N -2.998 111.730 114.554 0.290 0.000 2.862 317 T HA 0.522 4.877 4.350 0.009 0.000 0.276 317 T C 1.369 176.258 174.700 0.315 0.000 0.974 317 T CA -0.252 62.020 62.100 0.288 0.000 0.966 317 T CB 1.221 70.205 68.868 0.194 0.000 1.072 317 T HN 0.760 nan 8.240 nan 0.000 0.538 318 A N 0.523 123.489 122.820 0.243 0.000 2.066 318 A HA -0.001 4.324 4.320 0.009 0.000 0.218 318 A C 1.856 179.521 177.584 0.134 0.000 1.157 318 A CA 1.166 53.322 52.037 0.198 0.000 0.670 318 A CB -0.861 18.225 19.000 0.144 0.000 0.804 318 A HN 0.959 nan 8.150 nan 0.000 0.453 319 D N -1.505 118.946 120.400 0.084 0.000 2.352 319 D HA 0.169 4.814 4.640 0.009 0.000 0.232 319 D C 1.131 177.446 176.300 0.025 0.000 1.055 319 D CA 0.901 54.921 54.000 0.032 0.000 0.891 319 D CB -0.313 40.481 40.800 -0.010 0.000 0.897 319 D HN 0.664 nan 8.370 nan 0.000 0.529 320 G N 0.427 109.258 108.800 0.051 0.000 2.175 320 G HA2 -0.247 3.718 3.960 0.009 0.000 0.244 320 G HA3 -0.247 3.718 3.960 0.009 0.000 0.244 320 G C 0.361 175.250 174.900 -0.018 0.000 0.982 320 G CA 0.198 45.277 45.100 -0.035 0.000 0.641 320 G HN 0.402 nan 8.290 nan 0.000 0.527 321 T N 1.929 116.511 114.554 0.047 0.000 2.794 321 T HA 0.493 4.848 4.350 0.009 0.000 0.296 321 T C 0.553 175.318 174.700 0.108 0.000 0.949 321 T CA -0.219 61.912 62.100 0.050 0.000 1.101 321 T CB 1.657 70.544 68.868 0.032 0.000 0.905 321 T HN 0.289 nan 8.240 nan 0.000 0.516 322 L N 4.603 125.871 121.223 0.076 0.000 2.313 322 L HA 0.227 4.572 4.340 0.009 0.000 0.282 322 L C 0.706 177.629 176.870 0.089 0.000 1.092 322 L CA -0.211 54.689 54.840 0.100 0.000 0.831 322 L CB 0.659 42.754 42.059 0.059 0.000 1.159 322 L HN 0.698 nan 8.230 nan 0.000 0.442 323 I N 3.265 123.895 120.570 0.101 0.000 2.339 323 I HA -0.007 4.168 4.170 0.009 0.000 0.245 323 I C 0.800 176.938 176.117 0.034 0.000 1.096 323 I CA 0.825 62.162 61.300 0.062 0.000 1.408 323 I CB 0.188 38.222 38.000 0.056 0.000 1.092 323 I HN 0.709 nan 8.210 nan 0.000 0.423 324 E N -0.429 119.793 120.200 0.037 0.000 2.398 324 E HA 0.618 4.973 4.350 0.009 0.000 0.280 324 E C -1.837 174.781 176.600 0.030 0.000 1.122 324 E CA -0.946 55.467 56.400 0.021 0.000 0.873 324 E CB 0.968 30.642 29.700 -0.043 0.000 1.294 324 E HN -0.067 nan 8.360 nan 0.000 0.435 325 A N 1.707 124.569 122.820 0.071 0.000 2.475 325 A HA 0.730 5.055 4.320 0.009 0.000 0.301 325 A C -1.063 176.625 177.584 0.173 0.000 1.059 325 A CA -0.685 51.399 52.037 0.077 0.000 0.710 325 A CB 1.820 20.859 19.000 0.065 0.000 1.288 325 A HN 0.529 nan 8.150 nan 0.000 0.408 326 E N -0.309 119.919 120.200 0.047 0.000 2.392 326 E HA 0.792 5.148 4.350 0.009 0.000 0.269 326 E C -0.606 176.010 176.600 0.026 0.000 0.924 326 E CA -0.681 55.808 56.400 0.148 0.000 0.784 326 E CB 2.508 32.220 29.700 0.020 0.000 1.292 326 E HN 1.098 nan 8.360 nan 0.000 0.447 327 A N 0.125 123.096 122.820 0.252 0.000 2.602 327 A HA 0.794 5.119 4.320 0.009 0.000 0.290 327 A C -1.085 176.698 177.584 0.332 0.000 1.114 327 A CA -0.461 51.656 52.037 0.133 0.000 0.683 327 A CB 1.117 20.076 19.000 -0.068 0.000 1.281 327 A HN 0.878 nan 8.150 nan 0.000 0.416 328 C N -0.567 118.886 119.300 0.255 0.000 3.311 328 C HA 0.785 5.250 4.460 0.009 0.000 0.325 328 C C -1.472 173.619 174.990 0.169 0.000 1.352 328 C CA -0.930 58.236 59.018 0.246 0.000 1.308 328 C CB 1.025 28.939 27.740 0.289 0.000 1.619 328 C HN 0.816 nan 8.230 nan 0.000 0.469 329 D N 0.978 121.460 120.400 0.137 0.000 2.302 329 D HA 0.569 5.214 4.640 0.009 0.000 0.248 329 D C -0.353 176.004 176.300 0.095 0.000 1.094 329 D CA 0.150 54.232 54.000 0.137 0.000 0.897 329 D CB 1.905 42.789 40.800 0.140 0.000 1.200 329 D HN 0.552 nan 8.370 nan 0.000 0.429 330 V N 0.725 120.719 119.914 0.135 0.000 2.604 330 V HA 0.710 4.835 4.120 0.009 0.000 0.305 330 V C 0.458 176.607 176.094 0.092 0.000 1.043 330 V CA -0.759 61.562 62.300 0.036 0.000 0.888 330 V CB 2.151 33.977 31.823 0.005 0.000 0.995 330 V HN 0.632 nan 8.190 nan 0.000 0.429 331 G N 2.698 111.447 108.800 -0.086 0.000 2.609 331 G HA2 0.634 4.599 3.960 0.009 0.000 0.308 331 G HA3 0.634 4.599 3.960 0.009 0.000 0.308 331 G C -1.268 173.639 174.900 0.012 0.000 1.369 331 G CA -0.404 44.710 45.100 0.024 0.000 0.958 331 G HN 0.405 nan 8.290 nan 0.000 0.499 332 F N 2.327 122.421 119.950 0.239 0.000 2.413 332 F HA 0.550 5.082 4.527 0.008 0.000 0.359 332 F C 0.916 176.923 175.800 0.344 0.000 1.122 332 F CA -0.210 57.993 58.000 0.339 0.000 1.160 332 F CB 1.084 40.295 39.000 0.352 0.000 1.146 332 F HN 0.508 nan 8.300 nan 0.000 0.514 333 R N 1.337 122.108 120.500 0.451 0.000 2.629 333 R HA 0.475 4.820 4.340 0.009 0.000 0.266 333 R C -1.669 174.806 176.300 0.292 0.000 1.051 333 R CA -1.062 55.168 56.100 0.217 0.000 0.895 333 R CB 1.450 31.888 30.300 0.229 0.000 1.246 333 R HN 0.444 nan 8.270 nan 0.000 0.459 334 E N 1.790 122.074 120.200 0.139 0.000 2.187 334 E HA 0.493 4.848 4.350 0.009 0.000 0.268 334 E C -1.212 175.466 176.600 0.131 0.000 0.896 334 E CA -1.048 55.498 56.400 0.244 0.000 0.766 334 E CB 2.019 31.928 29.700 0.348 0.000 1.142 334 E HN 0.437 nan 8.360 nan 0.000 0.408 335 V N 4.976 124.958 119.914 0.114 0.000 2.409 335 V HA 0.590 4.716 4.120 0.009 0.000 0.291 335 V C -0.245 175.888 176.094 0.065 0.000 1.020 335 V CA -0.676 61.660 62.300 0.061 0.000 0.848 335 V CB 1.364 33.199 31.823 0.021 0.000 0.990 335 V HN 0.683 nan 8.190 nan 0.000 0.430 336 R N 3.832 124.367 120.500 0.057 0.000 2.643 336 R HA 0.636 4.982 4.340 0.009 0.000 0.269 336 R C -1.478 174.846 176.300 0.039 0.000 1.037 336 R CA -0.729 55.406 56.100 0.057 0.000 0.894 336 R CB 2.670 33.016 30.300 0.076 0.000 1.238 336 R HN 0.603 nan 8.270 nan 0.000 0.459 337 I N 1.897 122.489 120.570 0.037 0.000 2.312 337 I HA 0.255 4.430 4.170 0.009 0.000 0.290 337 I C -0.333 175.804 176.117 0.032 0.000 1.008 337 I CA -0.167 61.150 61.300 0.028 0.000 1.226 337 I CB 1.513 39.531 38.000 0.029 0.000 1.371 337 I HN 0.606 nan 8.210 nan 0.000 0.468 338 E N 6.829 127.045 120.200 0.028 0.000 2.265 338 E HA 0.232 4.587 4.350 0.009 0.000 0.262 338 E C -0.224 176.389 176.600 0.022 0.000 0.889 338 E CA -0.547 55.870 56.400 0.030 0.000 0.789 338 E CB 0.941 30.664 29.700 0.038 0.000 1.221 338 E HN 0.554 nan 8.360 nan 0.000 0.414 339 N N 3.579 122.291 118.700 0.020 0.000 2.754 339 N HA -0.213 4.533 4.740 0.009 0.000 0.248 339 N C 0.552 176.068 175.510 0.010 0.000 1.093 339 N CA 2.134 55.193 53.050 0.015 0.000 0.699 339 N CB -1.231 37.265 38.487 0.015 0.000 1.016 339 N HN 1.096 nan 8.380 nan 0.000 0.552 340 G N -2.223 106.583 108.800 0.009 0.000 2.199 340 G HA2 -0.286 3.679 3.960 0.009 0.000 0.254 340 G HA3 -0.286 3.679 3.960 0.009 0.000 0.254 340 G C -0.021 174.874 174.900 -0.008 0.000 0.982 340 G CA 0.508 45.610 45.100 0.002 0.000 0.632 340 G HN 0.470 nan 8.290 nan 0.000 0.529 341 L N 0.157 121.377 121.223 -0.005 0.000 2.334 341 L HA 0.756 5.101 4.340 0.009 0.000 0.273 341 L C 0.106 176.969 176.870 -0.012 0.000 1.013 341 L CA -1.301 53.530 54.840 -0.015 0.000 0.816 341 L CB 1.810 43.860 42.059 -0.014 0.000 1.278 341 L HN 0.108 nan 8.230 nan 0.000 0.431 342 L N 3.859 125.064 121.223 -0.030 0.000 2.260 342 L HA 0.480 4.825 4.340 0.009 0.000 0.289 342 L C -0.854 175.999 176.870 -0.028 0.000 1.057 342 L CA 0.298 55.120 54.840 -0.029 0.000 0.811 342 L CB 0.475 42.503 42.059 -0.052 0.000 1.184 342 L HN 0.378 nan 8.230 nan 0.000 0.429 343 L N 5.717 126.939 121.223 -0.001 0.000 2.346 343 L HA 0.570 4.915 4.340 0.009 0.000 0.274 343 L C -0.939 175.945 176.870 0.024 0.000 1.007 343 L CA -0.882 53.968 54.840 0.017 0.000 0.818 343 L CB 1.972 44.063 42.059 0.054 0.000 1.284 343 L HN 0.519 nan 8.230 nan 0.000 0.424 344 L N 3.483 124.732 121.223 0.043 0.000 2.349 344 L HA 0.499 4.844 4.340 0.009 0.000 0.278 344 L C -0.223 176.691 176.870 0.073 0.000 0.996 344 L CA -0.008 54.867 54.840 0.058 0.000 0.825 344 L CB 1.056 43.159 42.059 0.075 0.000 1.243 344 L HN 0.572 nan 8.230 nan 0.000 0.412 345 N N 4.354 122.994 118.700 -0.099 0.000 2.714 345 N HA -0.229 4.516 4.740 0.009 0.000 0.252 345 N C 0.999 176.333 175.510 -0.293 0.000 1.014 345 N CA 1.339 54.095 53.050 -0.491 0.000 0.735 345 N CB -1.191 36.810 38.487 -0.809 0.000 0.924 345 N HN 1.203 nan 8.380 nan 0.000 0.540 346 G N -1.889 106.944 108.800 0.056 0.000 2.234 346 G HA2 -0.367 3.599 3.960 0.009 0.000 0.260 346 G HA3 -0.367 3.599 3.960 0.009 0.000 0.260 346 G C 0.058 175.022 174.900 0.107 0.000 0.987 346 G CA 1.032 46.231 45.100 0.166 0.000 0.625 346 G HN 0.541 nan 8.290 nan 0.000 0.532 347 K N 0.683 121.141 120.400 0.096 0.000 2.238 347 K HA 0.599 4.924 4.320 0.009 0.000 0.239 347 K C -3.090 173.511 176.600 0.002 0.000 0.987 347 K CA -2.029 54.273 56.287 0.025 0.000 0.857 347 K CB 2.628 35.085 32.500 -0.072 0.000 1.154 347 K HN 0.050 nan 8.250 nan 0.000 0.439 348 P HA 0.314 nan 4.420 nan 0.000 0.297 348 P C -0.228 177.026 177.300 -0.077 0.000 1.319 348 P CA -0.466 62.605 63.100 -0.048 0.000 0.810 348 P CB 0.690 32.362 31.700 -0.047 0.000 0.947 349 L N 3.178 124.351 121.223 -0.083 0.000 2.464 349 L HA 0.263 4.609 4.340 0.009 0.000 0.264 349 L C 0.502 177.309 176.870 -0.104 0.000 1.199 349 L CA -0.420 54.361 54.840 -0.099 0.000 0.818 349 L CB 0.260 42.225 42.059 -0.156 0.000 1.102 349 L HN 0.256 nan 8.230 nan 0.000 0.473 350 L N 3.470 124.647 121.223 -0.077 0.000 2.427 350 L HA 0.405 4.750 4.340 0.009 0.000 0.264 350 L C -0.539 176.300 176.870 -0.050 0.000 0.989 350 L CA -0.322 54.463 54.840 -0.091 0.000 0.865 350 L CB 0.893 42.936 42.059 -0.028 0.000 1.209 350 L HN 0.215 nan 8.230 nan 0.000 0.430 351 I N 4.629 125.112 120.570 -0.145 0.000 2.436 351 I HA 0.182 4.357 4.170 0.009 0.000 0.289 351 I C 0.593 176.678 176.117 -0.053 0.000 1.083 351 I CA 0.237 61.462 61.300 -0.126 0.000 1.372 351 I CB 0.341 38.154 38.000 -0.312 0.000 1.408 351 I HN 0.522 nan 8.210 nan 0.000 0.516 352 R N 4.812 125.352 120.500 0.066 0.000 2.471 352 R HA 0.561 4.906 4.340 0.009 0.000 0.292 352 R C 0.399 176.805 176.300 0.176 0.000 1.192 352 R CA -0.278 55.899 56.100 0.128 0.000 1.257 352 R CB 1.106 31.329 30.300 -0.128 0.000 1.130 352 R HN 0.813 nan 8.270 nan 0.000 0.558 353 G N 0.153 109.027 108.800 0.123 0.000 2.816 353 G HA2 0.666 4.631 3.960 0.009 0.000 0.288 353 G HA3 0.666 4.631 3.960 0.009 0.000 0.288 353 G C -1.528 173.622 174.900 0.416 0.000 1.334 353 G CA -0.552 44.633 45.100 0.140 0.000 0.978 353 G HN 0.266 nan 8.290 nan 0.000 0.493 354 V N -0.466 119.676 119.914 0.381 0.000 3.087 354 V HA 0.548 4.673 4.120 0.009 0.000 0.306 354 V C -1.365 174.879 176.094 0.249 0.000 1.187 354 V CA -1.208 61.246 62.300 0.258 0.000 0.999 354 V CB 2.314 34.012 31.823 -0.208 0.000 1.049 354 V HN 0.737 nan 8.190 nan 0.000 0.431 355 N N 4.002 122.770 118.700 0.114 0.000 2.479 355 N HA 0.477 5.222 4.740 0.009 0.000 0.285 355 N C -0.859 174.479 175.510 -0.286 0.000 1.075 355 N CA -0.365 52.628 53.050 -0.095 0.000 0.967 355 N CB 1.658 40.061 38.487 -0.141 0.000 1.137 355 N HN 0.690 nan 8.380 nan 0.000 0.472 356 R N 1.932 122.233 120.500 -0.331 0.000 2.574 356 R HA 0.303 4.648 4.340 0.009 0.000 0.288 356 R C -1.284 174.788 176.300 -0.380 0.000 1.004 356 R CA -0.531 55.385 56.100 -0.306 0.000 0.895 356 R CB 1.003 31.119 30.300 -0.307 0.000 1.191 356 R HN 0.593 nan 8.270 nan 0.000 0.444 357 H N 1.148 120.077 119.070 -0.235 0.000 2.496 357 H HA 0.197 4.758 4.556 0.009 0.000 0.342 357 H C -0.499 174.816 175.328 -0.022 0.000 1.170 357 H CA -0.265 55.721 56.048 -0.104 0.000 1.274 357 H CB 1.560 31.313 29.762 -0.015 0.000 1.538 357 H HN 0.479 nan 8.280 nan 0.000 0.542 358 E N 1.714 122.094 120.200 0.301 0.000 1.941 358 E HA 0.088 4.443 4.350 0.009 0.000 0.275 358 E C -1.007 175.737 176.600 0.241 0.000 1.113 358 E CA -0.038 56.467 56.400 0.174 0.000 0.878 358 E CB 0.196 30.008 29.700 0.186 0.000 1.070 358 E HN 0.402 nan 8.360 nan 0.000 0.399 359 H N 1.628 120.752 119.070 0.089 0.000 2.856 359 H HA 0.242 4.804 4.556 0.009 0.000 0.355 359 H C -1.582 173.785 175.328 0.064 0.000 1.079 359 H CA -0.687 55.408 56.048 0.079 0.000 1.240 359 H CB 0.984 30.779 29.762 0.055 0.000 1.701 359 H HN 0.363 nan 8.280 nan 0.000 0.527 360 H N 6.564 125.336 119.070 -0.496 0.000 2.744 360 H HA 0.203 4.764 4.556 0.009 0.000 0.339 360 H C -2.247 172.684 175.328 -0.661 0.000 1.004 360 H CA -2.471 53.339 56.048 -0.396 0.000 1.257 360 H CB 2.459 32.137 29.762 -0.141 0.000 1.552 360 H HN 0.556 nan 8.280 nan 0.000 0.522 361 P HA -0.113 nan 4.420 nan 0.000 0.218 361 P C 1.315 178.514 177.300 -0.169 0.000 1.148 361 P CA 0.877 63.800 63.100 -0.295 0.000 0.822 361 P CB 0.799 32.374 31.700 -0.209 0.000 0.784 362 L N -1.832 119.412 121.223 0.036 0.000 2.200 362 L HA 0.065 4.410 4.340 0.009 0.000 0.200 362 L C 2.353 179.074 176.870 -0.248 0.000 1.072 362 L CA 0.898 55.635 54.840 -0.172 0.000 0.787 362 L CB -0.759 41.074 42.059 -0.376 0.000 0.957 362 L HN -0.009 nan 8.230 nan 0.000 0.459 363 H N -0.687 118.323 119.070 -0.099 0.000 2.539 363 H HA 0.205 4.766 4.556 0.008 0.000 0.269 363 H C 1.449 176.676 175.328 -0.170 0.000 0.980 363 H CA 0.113 56.028 56.048 -0.221 0.000 1.152 363 H CB 0.308 29.809 29.762 -0.435 0.000 1.407 363 H HN 0.423 nan 8.280 nan 0.000 0.564 364 G N 1.561 110.294 108.800 -0.111 0.000 2.574 364 G HA2 -0.400 3.565 3.960 0.009 0.000 0.301 364 G HA3 -0.400 3.565 3.960 0.009 0.000 0.301 364 G C 0.573 175.402 174.900 -0.119 0.000 1.166 364 G CA 0.415 45.394 45.100 -0.201 0.000 0.971 364 G HN 0.480 nan 8.290 nan 0.000 0.542 365 Q N -0.007 119.743 119.800 -0.083 0.000 2.189 365 Q HA 0.513 4.858 4.340 0.009 0.000 0.221 365 Q C 0.004 176.080 176.000 0.127 0.000 0.848 365 Q CA -0.212 55.581 55.803 -0.017 0.000 1.007 365 Q CB 1.390 30.029 28.738 -0.164 0.000 1.116 365 Q HN 0.356 nan 8.270 nan 0.000 0.481 366 V N 1.892 121.872 119.914 0.110 0.000 2.432 366 V HA 0.247 4.372 4.120 0.009 0.000 0.275 366 V C 0.076 176.220 176.094 0.082 0.000 1.043 366 V CA -0.189 62.183 62.300 0.121 0.000 0.925 366 V CB 1.073 32.896 31.823 -0.000 0.000 0.985 366 V HN 0.362 nan 8.190 nan 0.000 0.466 367 M N 4.589 124.242 119.600 0.088 0.000 2.478 367 M HA 0.496 4.981 4.480 0.009 0.000 0.327 367 M C -0.416 175.835 176.300 -0.081 0.000 1.187 367 M CA -0.711 54.596 55.300 0.013 0.000 1.022 367 M CB 1.473 34.050 32.600 -0.038 0.000 1.629 367 M HN 0.933 nan 8.290 nan 0.000 0.461 368 D N -1.524 118.843 120.400 -0.055 0.000 2.547 368 D HA 0.266 4.911 4.640 0.009 0.000 0.231 368 D C 0.382 176.666 176.300 -0.025 0.000 1.099 368 D CA -0.705 53.261 54.000 -0.057 0.000 0.901 368 D CB 1.424 42.219 40.800 -0.008 0.000 1.478 368 D HN 0.693 nan 8.370 nan 0.000 0.471 369 E N -0.265 119.929 120.200 -0.010 0.000 2.085 369 E HA -0.303 4.052 4.350 0.009 0.000 0.194 369 E C 1.345 177.990 176.600 0.075 0.000 0.994 369 E CA 1.384 57.808 56.400 0.039 0.000 0.801 369 E CB 0.109 29.845 29.700 0.060 0.000 0.743 369 E HN 0.446 nan 8.360 nan 0.000 0.453 370 Q N 0.120 119.967 119.800 0.078 0.000 2.030 370 Q HA -0.142 4.203 4.340 0.009 0.000 0.204 370 Q C 2.370 178.435 176.000 0.107 0.000 0.986 370 Q CA 2.078 57.938 55.803 0.093 0.000 0.843 370 Q CB -1.016 27.780 28.738 0.096 0.000 0.904 370 Q HN 0.326 nan 8.270 nan 0.000 0.420 371 T N 1.772 116.401 114.554 0.126 0.000 2.684 371 T HA -0.130 4.225 4.350 0.009 0.000 0.267 371 T C 2.043 176.828 174.700 0.142 0.000 1.036 371 T CA 1.537 63.723 62.100 0.144 0.000 1.148 371 T CB -0.219 68.763 68.868 0.191 0.000 0.863 371 T HN 0.210 nan 8.240 nan 0.000 0.436 372 M N 0.583 120.272 119.600 0.148 0.000 2.065 372 M HA -0.121 4.364 4.480 0.009 0.000 0.259 372 M C 2.493 178.920 176.300 0.211 0.000 1.069 372 M CA 1.464 56.928 55.300 0.273 0.000 1.110 372 M CB -0.769 32.029 32.600 0.331 0.000 1.328 372 M HN 0.098 nan 8.290 nan 0.000 0.405 373 V N 0.076 120.047 119.914 0.096 0.000 2.343 373 V HA -0.297 3.828 4.120 0.009 0.000 0.247 373 V C 2.327 178.406 176.094 -0.025 0.000 1.051 373 V CA 1.942 64.224 62.300 -0.029 0.000 1.036 373 V CB -0.912 30.918 31.823 0.011 0.000 0.654 373 V HN 0.544 nan 8.190 nan 0.000 0.451 374 Q N -0.216 119.622 119.800 0.063 0.000 2.030 374 Q HA -0.280 4.065 4.340 0.009 0.000 0.204 374 Q C 2.126 178.198 176.000 0.121 0.000 0.986 374 Q CA 2.254 58.112 55.803 0.092 0.000 0.843 374 Q CB -0.190 28.619 28.738 0.118 0.000 0.904 374 Q HN 0.618 nan 8.270 nan 0.000 0.420 375 D N 0.309 120.808 120.400 0.165 0.000 2.126 375 D HA -0.207 4.439 4.640 0.009 0.000 0.190 375 D C 1.899 178.168 176.300 -0.051 0.000 1.001 375 D CA 1.348 55.451 54.000 0.171 0.000 0.841 375 D CB -0.359 40.534 40.800 0.154 0.000 0.949 375 D HN 0.335 nan 8.370 nan 0.000 0.446 376 I N 0.526 121.049 120.570 -0.078 0.000 2.127 376 I HA -0.276 3.899 4.170 0.009 0.000 0.241 376 I C 2.455 178.445 176.117 -0.211 0.000 1.075 376 I CA 0.856 62.004 61.300 -0.253 0.000 1.334 376 I CB -0.248 37.483 38.000 -0.449 0.000 1.040 376 I HN 0.012 nan 8.210 nan 0.000 0.405 377 L N 0.004 121.139 121.223 -0.147 0.000 2.083 377 L HA -0.223 4.122 4.340 0.009 0.000 0.209 377 L C 2.536 179.479 176.870 0.122 0.000 1.083 377 L CA 1.218 56.063 54.840 0.008 0.000 0.752 377 L CB -0.630 41.459 42.059 0.050 0.000 0.899 377 L HN 0.294 nan 8.230 nan 0.000 0.433 378 L N -0.862 120.455 121.223 0.156 0.000 2.083 378 L HA -0.227 4.119 4.340 0.009 0.000 0.209 378 L C 2.715 179.762 176.870 0.296 0.000 1.083 378 L CA 1.324 56.341 54.840 0.295 0.000 0.752 378 L CB -0.316 42.042 42.059 0.499 0.000 0.899 378 L HN 0.323 nan 8.230 nan 0.000 0.433 379 M N -0.706 118.912 119.600 0.030 0.000 2.077 379 M HA -0.210 4.275 4.480 0.009 0.000 0.261 379 M C 2.292 178.677 176.300 0.143 0.000 1.070 379 M CA 1.731 56.995 55.300 -0.059 0.000 1.125 379 M CB -0.438 31.890 32.600 -0.455 0.000 1.339 379 M HN 0.090 nan 8.290 nan 0.000 0.409 380 K N 0.285 120.655 120.400 -0.049 0.000 2.103 380 K HA -0.191 4.134 4.320 0.009 0.000 0.207 380 K C 1.945 178.512 176.600 -0.054 0.000 1.048 380 K CA 1.377 57.514 56.287 -0.250 0.000 0.930 380 K CB -0.262 31.836 32.500 -0.671 0.000 0.716 380 K HN 0.509 nan 8.250 nan 0.000 0.444 381 Q N 0.254 120.208 119.800 0.255 0.000 2.224 381 Q HA -0.030 4.315 4.340 0.009 0.000 0.203 381 Q C 1.042 177.342 176.000 0.500 0.000 0.970 381 Q CA 0.700 56.790 55.803 0.480 0.000 0.865 381 Q CB 0.141 29.147 28.738 0.447 0.000 0.922 381 Q HN 0.272 nan 8.270 nan 0.000 0.445 382 N N 0.716 119.656 118.700 0.399 0.000 2.295 382 N HA 0.031 4.776 4.740 0.009 0.000 0.221 382 N C -0.585 175.007 175.510 0.136 0.000 1.129 382 N CA 0.109 53.372 53.050 0.355 0.000 0.836 382 N CB 0.590 39.357 38.487 0.465 0.000 1.040 382 N HN 0.201 nan 8.380 nan 0.000 0.494 383 N N -0.247 118.530 118.700 0.129 0.000 2.882 383 N HA -0.169 4.577 4.740 0.009 0.000 0.249 383 N C -0.904 174.433 175.510 -0.287 0.000 1.079 383 N CA 0.642 53.650 53.050 -0.069 0.000 0.800 383 N CB -1.729 36.612 38.487 -0.243 0.000 1.124 383 N HN 0.208 nan 8.380 nan 0.000 0.557 384 F N 0.868 120.812 119.950 -0.009 0.000 2.385 384 F HA 0.322 4.854 4.527 0.008 0.000 0.336 384 F C 1.819 177.597 175.800 -0.037 0.000 1.100 384 F CA -0.382 57.600 58.000 -0.029 0.000 1.116 384 F CB 0.941 39.900 39.000 -0.068 0.000 1.166 384 F HN -0.105 nan 8.300 nan 0.000 0.511 385 N N 0.618 119.429 118.700 0.185 0.000 2.463 385 N HA 0.399 5.144 4.740 0.009 0.000 0.183 385 N C -0.561 174.994 175.510 0.075 0.000 1.064 385 N CA 0.004 53.114 53.050 0.100 0.000 0.879 385 N CB 0.510 39.149 38.487 0.253 0.000 1.148 385 N HN 0.603 nan 8.380 nan 0.000 0.451 386 A N 0.328 123.268 122.820 0.201 0.000 2.587 386 A HA 0.644 4.969 4.320 0.009 0.000 0.293 386 A C -1.754 176.021 177.584 0.318 0.000 1.087 386 A CA -0.420 51.786 52.037 0.282 0.000 0.692 386 A CB 1.812 21.028 19.000 0.360 0.000 1.291 386 A HN -0.068 nan 8.150 nan 0.000 0.407 387 V N 0.916 121.057 119.914 0.378 0.000 2.925 387 V HA 0.786 4.911 4.120 0.009 0.000 0.311 387 V C -0.567 175.686 176.094 0.265 0.000 1.104 387 V CA -0.786 61.712 62.300 0.330 0.000 0.954 387 V CB 1.895 33.825 31.823 0.177 0.000 1.022 387 V HN 1.055 nan 8.190 nan 0.000 0.427 388 R N 4.634 125.146 120.500 0.021 0.000 2.338 388 R HA 0.457 4.802 4.340 0.009 0.000 0.317 388 R C -0.712 175.461 176.300 -0.212 0.000 0.968 388 R CA -0.521 55.410 56.100 -0.281 0.000 0.849 388 R CB 1.044 30.942 30.300 -0.670 0.000 1.128 388 R HN 0.831 nan 8.270 nan 0.000 0.448 389 C N 4.196 123.395 119.300 -0.168 0.000 3.183 389 C HA 0.103 4.569 4.460 0.009 0.000 0.545 389 C C 0.595 175.297 174.990 -0.480 0.000 1.044 389 C CA -0.556 58.300 59.018 -0.270 0.000 1.117 389 C CB -2.181 25.500 27.740 -0.099 0.000 1.393 389 C HN 0.706 nan 8.230 nan 0.000 0.611 390 S N 1.296 116.608 115.700 -0.647 0.000 2.466 390 S HA 0.119 4.594 4.470 0.009 0.000 0.286 390 S C -0.049 173.647 174.600 -1.506 0.000 1.221 390 S CA 0.256 57.802 58.200 -1.091 0.000 1.091 390 S CB 0.002 62.500 63.200 -1.170 0.000 0.956 390 S HN 0.738 nan 8.310 nan 0.000 0.501 391 H N 3.486 121.914 119.070 -1.070 0.000 2.712 391 H HA 0.303 4.864 4.556 0.008 0.000 0.226 391 H C -1.067 174.118 175.328 -0.238 0.000 1.422 391 H CA -0.379 55.434 56.048 -0.393 0.000 1.270 391 H CB -0.159 29.592 29.762 -0.018 0.000 1.891 391 H HN 0.891 nan 8.280 nan 0.000 0.518 392 Y N -2.961 117.430 120.300 0.152 0.000 2.810 392 Y HA 0.429 4.984 4.550 0.009 0.000 0.355 392 Y C -3.350 172.646 175.900 0.159 0.000 1.211 392 Y CA -3.091 55.108 58.100 0.164 0.000 1.112 392 Y CB -0.027 38.534 38.460 0.168 0.000 1.383 392 Y HN -0.129 nan 8.280 nan 0.000 0.458 393 P HA 0.192 nan 4.420 nan 0.000 0.268 393 P C -0.708 176.880 177.300 0.480 0.000 1.205 393 P CA 0.175 63.519 63.100 0.407 0.000 0.771 393 P CB 0.607 32.479 31.700 0.288 0.000 0.858 394 N N 0.278 119.265 118.700 0.478 0.000 2.491 394 N HA 0.119 4.864 4.740 0.009 0.000 0.279 394 N C -0.032 175.715 175.510 0.395 0.000 1.236 394 N CA -0.645 52.611 53.050 0.343 0.000 0.982 394 N CB 0.416 38.911 38.487 0.014 0.000 1.194 394 N HN 0.583 nan 8.380 nan 0.000 0.582 395 H N 2.001 121.184 119.070 0.188 0.000 3.070 395 H HA 0.015 4.576 4.556 0.008 0.000 0.313 395 H C -1.693 173.817 175.328 0.304 0.000 0.997 395 H CA -0.949 55.206 56.048 0.178 0.000 1.438 395 H CB 0.999 30.825 29.762 0.106 0.000 1.455 395 H HN 0.417 nan 8.280 nan 0.000 0.575 396 P HA -0.239 nan 4.420 nan 0.000 0.218 396 P C 1.820 179.454 177.300 0.557 0.000 1.152 396 P CA 0.822 64.175 63.100 0.421 0.000 0.857 396 P CB 0.198 31.977 31.700 0.131 0.000 0.787 397 L N -1.295 120.319 121.223 0.652 0.000 2.131 397 L HA -0.077 4.268 4.340 0.009 0.000 0.210 397 L C 2.357 179.412 176.870 0.308 0.000 1.092 397 L CA 1.446 56.543 54.840 0.427 0.000 0.759 397 L CB -1.400 40.869 42.059 0.351 0.000 0.903 397 L HN 0.062 nan 8.230 nan 0.000 0.435 398 W N -0.343 120.999 121.300 0.070 0.000 2.302 398 W HA -0.382 4.283 4.660 0.008 0.000 0.320 398 W C 2.220 178.561 176.519 -0.296 0.000 1.241 398 W CA 2.258 59.484 57.345 -0.198 0.000 1.264 398 W CB -0.485 28.746 29.460 -0.382 0.000 1.154 398 W HN 0.277 nan 8.180 nan 0.000 0.483 399 Y N 0.527 120.754 120.300 -0.121 0.000 2.224 399 Y HA -0.228 4.327 4.550 0.008 0.000 0.289 399 Y C 2.857 178.478 175.900 -0.464 0.000 1.146 399 Y CA 2.104 59.899 58.100 -0.508 0.000 1.182 399 Y CB -1.413 36.431 38.460 -1.027 0.000 0.983 399 Y HN -0.196 nan 8.280 nan 0.000 0.524 400 T N 0.802 115.324 114.554 -0.054 0.000 2.708 400 T HA -0.169 4.186 4.350 0.009 0.000 0.266 400 T C 2.030 176.757 174.700 0.046 0.000 1.037 400 T CA 1.516 63.679 62.100 0.105 0.000 1.146 400 T CB -0.588 68.414 68.868 0.222 0.000 0.865 400 T HN 0.229 nan 8.240 nan 0.000 0.435 401 L N 0.411 121.630 121.223 -0.007 0.000 2.012 401 L HA -0.154 4.191 4.340 0.009 0.000 0.210 401 L C 2.943 179.808 176.870 -0.007 0.000 1.073 401 L CA 1.130 55.997 54.840 0.045 0.000 0.748 401 L CB -0.905 41.123 42.059 -0.051 0.000 0.891 401 L HN 0.393 nan 8.230 nan 0.000 0.431 402 C N -0.174 118.949 119.300 -0.295 0.000 2.425 402 C HA -0.157 4.308 4.460 0.009 0.000 0.277 402 C C 2.444 177.479 174.990 0.075 0.000 1.280 402 C CA 0.502 59.381 59.018 -0.233 0.000 1.744 402 C CB -0.850 26.639 27.740 -0.418 0.000 1.989 402 C HN 0.544 nan 8.230 nan 0.000 0.491 403 D N 0.381 120.821 120.400 0.067 0.000 2.123 403 D HA -0.108 4.537 4.640 0.009 0.000 0.196 403 D C 2.403 178.920 176.300 0.361 0.000 0.992 403 D CA 1.247 55.363 54.000 0.193 0.000 0.833 403 D CB -0.320 40.552 40.800 0.119 0.000 0.954 403 D HN 0.542 nan 8.370 nan 0.000 0.455 404 R N -1.014 119.588 120.500 0.170 0.000 2.080 404 R HA 0.001 4.346 4.340 0.009 0.000 0.222 404 R C 2.152 178.399 176.300 -0.088 0.000 1.107 404 R CA 0.607 56.733 56.100 0.043 0.000 0.980 404 R CB -0.220 30.027 30.300 -0.088 0.000 0.879 404 R HN 0.274 nan 8.270 nan 0.000 0.439 405 Y N -0.130 120.176 120.300 0.010 0.000 2.475 405 Y HA 0.167 4.722 4.550 0.008 0.000 0.289 405 Y C 0.991 176.809 175.900 -0.136 0.000 1.121 405 Y CA 0.799 58.874 58.100 -0.042 0.000 1.257 405 Y CB 0.722 39.125 38.460 -0.094 0.000 1.026 405 Y HN 0.270 nan 8.280 nan 0.000 0.555 406 G N 1.158 109.975 108.800 0.030 0.000 3.026 406 G HA2 -0.164 3.801 3.960 0.009 0.000 0.252 406 G HA3 -0.164 3.801 3.960 0.009 0.000 0.252 406 G C -1.044 173.678 174.900 -0.297 0.000 1.070 406 G CA -0.532 44.442 45.100 -0.210 0.000 1.183 406 G HN 0.162 nan 8.290 nan 0.000 0.571 407 L N 0.477 121.604 121.223 -0.160 0.000 2.422 407 L HA 0.528 4.873 4.340 0.009 0.000 0.264 407 L C 0.093 176.920 176.870 -0.071 0.000 0.984 407 L CA -1.390 53.307 54.840 -0.237 0.000 0.819 407 L CB 1.952 43.897 42.059 -0.189 0.000 1.330 407 L HN 0.377 nan 8.230 nan 0.000 0.410 408 Y N 1.847 122.258 120.300 0.185 0.000 2.359 408 Y HA 0.340 4.896 4.550 0.011 0.000 0.330 408 Y C 0.193 176.200 175.900 0.178 0.000 1.143 408 Y CA -0.639 57.601 58.100 0.232 0.000 1.318 408 Y CB 1.147 39.732 38.460 0.208 0.000 1.234 408 Y HN 0.144 nan 8.280 nan 0.000 0.522 409 V N 4.353 124.443 119.914 0.294 0.000 2.604 409 V HA 0.294 4.419 4.120 0.009 0.000 0.305 409 V C -0.544 175.630 176.094 0.134 0.000 1.043 409 V CA -1.027 61.392 62.300 0.197 0.000 0.888 409 V CB 1.881 33.785 31.823 0.135 0.000 0.995 409 V HN 0.464 nan 8.190 nan 0.000 0.429 410 V N 3.392 123.366 119.914 0.099 0.000 2.318 410 V HA 0.293 4.418 4.120 0.009 0.000 0.271 410 V C -0.206 175.921 176.094 0.056 0.000 1.030 410 V CA -0.310 61.997 62.300 0.012 0.000 0.844 410 V CB 1.319 33.065 31.823 -0.128 0.000 1.015 410 V HN 0.884 nan 8.190 nan 0.000 0.460 411 D N 4.223 124.684 120.400 0.102 0.000 2.277 411 D HA 0.304 4.949 4.640 0.009 0.000 0.249 411 D C -0.173 176.296 176.300 0.281 0.000 1.134 411 D CA 0.042 54.193 54.000 0.251 0.000 0.863 411 D CB 1.171 42.155 40.800 0.306 0.000 1.143 411 D HN 0.665 nan 8.370 nan 0.000 0.458 412 E N 1.654 121.991 120.200 0.228 0.000 2.210 412 E HA 0.619 4.974 4.350 0.009 0.000 0.266 412 E C -1.037 175.689 176.600 0.211 0.000 0.883 412 E CA -1.088 55.433 56.400 0.202 0.000 0.761 412 E CB 1.401 31.175 29.700 0.124 0.000 1.156 412 E HN 0.480 nan 8.360 nan 0.000 0.412 413 A N 3.606 126.546 122.820 0.199 0.000 2.445 413 A HA 0.060 4.385 4.320 0.009 0.000 0.242 413 A C 0.323 178.027 177.584 0.201 0.000 1.075 413 A CA -0.218 51.920 52.037 0.169 0.000 0.777 413 A CB 0.163 19.230 19.000 0.110 0.000 1.013 413 A HN 0.672 nan 8.150 nan 0.000 0.493 414 N N 1.146 119.972 118.700 0.210 0.000 3.050 414 N HA 0.264 5.009 4.740 0.009 0.000 0.289 414 N C -1.068 174.567 175.510 0.207 0.000 1.209 414 N CA 0.215 53.424 53.050 0.265 0.000 1.154 414 N CB -0.860 37.780 38.487 0.254 0.000 1.444 414 N HN 0.475 nan 8.380 nan 0.000 0.529 415 I N 0.899 121.584 120.570 0.192 0.000 2.503 415 I HA 0.248 4.423 4.170 0.009 0.000 0.282 415 I C -0.587 175.621 176.117 0.152 0.000 1.059 415 I CA -0.547 60.847 61.300 0.155 0.000 1.081 415 I CB 1.723 39.785 38.000 0.104 0.000 1.210 415 I HN 0.212 nan 8.210 nan 0.000 0.450 416 E N 4.422 124.711 120.200 0.149 0.000 2.281 416 E HA 0.315 4.670 4.350 0.009 0.000 0.266 416 E C -0.465 176.194 176.600 0.098 0.000 0.893 416 E CA -0.414 56.049 56.400 0.105 0.000 0.798 416 E CB 1.560 31.304 29.700 0.073 0.000 1.245 416 E HN 0.605 nan 8.360 nan 0.000 0.410 417 T N 0.754 115.360 114.554 0.086 0.000 3.308 417 T HA 0.141 4.496 4.350 0.009 0.000 0.270 417 T C 0.985 175.738 174.700 0.088 0.000 0.992 417 T CA -0.254 61.919 62.100 0.122 0.000 0.931 417 T CB -0.288 68.635 68.868 0.092 0.000 1.142 417 T HN 0.662 nan 8.240 nan 0.000 0.525 418 H N 1.286 120.286 119.070 -0.116 0.000 2.362 418 H HA -0.120 4.442 4.556 0.009 0.000 0.294 418 H C 2.257 177.482 175.328 -0.173 0.000 1.113 418 H CA 1.494 57.443 56.048 -0.165 0.000 1.253 418 H CB -0.250 29.371 29.762 -0.234 0.000 1.363 418 H HN 0.587 nan 8.280 nan 0.000 0.494 419 G N 0.036 108.753 108.800 -0.139 0.000 2.776 419 G HA2 -0.009 3.956 3.960 0.009 0.000 0.209 419 G HA3 -0.009 3.956 3.960 0.009 0.000 0.209 419 G C 0.323 175.385 174.900 0.269 0.000 1.145 419 G CA -0.105 44.957 45.100 -0.064 0.000 0.791 419 G HN 0.161 nan 8.290 nan 0.000 0.530 420 M N 0.291 120.038 119.600 0.245 0.000 2.283 420 M HA 0.404 4.889 4.480 0.009 0.000 0.314 420 M C -0.506 175.822 176.300 0.047 0.000 1.153 420 M CA -0.489 54.891 55.300 0.133 0.000 1.084 420 M CB 1.610 34.239 32.600 0.049 0.000 1.468 420 M HN -0.224 nan 8.290 nan 0.000 0.474 421 V N 3.053 122.971 119.914 0.008 0.000 2.483 421 V HA 0.402 4.527 4.120 0.009 0.000 0.297 421 V C -1.936 174.143 176.094 -0.026 0.000 1.027 421 V CA -1.255 61.038 62.300 -0.012 0.000 0.855 421 V CB 1.726 33.538 31.823 -0.017 0.000 0.995 421 V HN 0.732 nan 8.190 nan 0.000 0.424 422 P HA 0.248 nan 4.420 nan 0.000 0.286 422 P C 1.066 178.359 177.300 -0.011 0.000 1.293 422 P CA -0.499 62.590 63.100 -0.019 0.000 0.770 422 P CB 0.938 32.627 31.700 -0.017 0.000 1.206 423 M N -0.287 119.311 119.600 -0.003 0.000 2.149 423 M HA -0.189 4.296 4.480 0.009 0.000 0.261 423 M C 1.965 178.275 176.300 0.016 0.000 1.064 423 M CA 1.825 57.131 55.300 0.011 0.000 1.102 423 M CB -0.596 32.000 32.600 -0.007 0.000 1.369 423 M HN 0.350 nan 8.290 nan 0.000 0.408 424 N N -0.263 118.447 118.700 0.016 0.000 2.205 424 N HA -0.249 4.496 4.740 0.009 0.000 0.186 424 N C 1.662 177.139 175.510 -0.055 0.000 1.015 424 N CA 0.965 54.020 53.050 0.008 0.000 0.862 424 N CB -0.037 38.444 38.487 -0.008 0.000 0.986 424 N HN 0.286 nan 8.380 nan 0.000 0.429 425 R N 0.834 121.290 120.500 -0.075 0.000 2.189 425 R HA -0.216 4.129 4.340 0.009 0.000 0.252 425 R C 1.911 178.087 176.300 -0.206 0.000 1.134 425 R CA 1.714 57.742 56.100 -0.120 0.000 0.954 425 R CB -0.269 29.960 30.300 -0.119 0.000 0.890 425 R HN 0.275 nan 8.270 nan 0.000 0.443 426 L N -1.105 119.931 121.223 -0.312 0.000 2.202 426 L HA -0.001 4.345 4.340 0.009 0.000 0.205 426 L C 2.461 179.154 176.870 -0.295 0.000 1.083 426 L CA 1.285 55.799 54.840 -0.543 0.000 0.790 426 L CB -0.491 41.008 42.059 -0.934 0.000 0.942 426 L HN 0.438 nan 8.230 nan 0.000 0.452 427 T N -4.396 110.032 114.554 -0.210 0.000 3.051 427 T HA -0.155 4.200 4.350 0.009 0.000 0.269 427 T C 1.248 175.846 174.700 -0.170 0.000 1.127 427 T CA 1.128 63.097 62.100 -0.218 0.000 1.107 427 T CB -0.196 68.508 68.868 -0.273 0.000 0.898 427 T HN 0.094 nan 8.240 nan 0.000 0.517 428 D N 1.013 121.348 120.400 -0.109 0.000 2.349 428 D HA 0.115 4.760 4.640 0.009 0.000 0.214 428 D C -0.251 176.023 176.300 -0.043 0.000 1.063 428 D CA -0.162 53.789 54.000 -0.081 0.000 0.847 428 D CB -0.014 40.746 40.800 -0.067 0.000 0.933 428 D HN 0.335 nan 8.370 nan 0.000 0.513 429 D N -0.213 120.177 120.400 -0.016 0.000 2.329 429 D HA 0.135 4.780 4.640 0.009 0.000 0.232 429 D C -1.704 174.664 176.300 0.112 0.000 1.088 429 D CA -2.280 51.759 54.000 0.064 0.000 0.835 429 D CB 2.042 42.916 40.800 0.122 0.000 1.078 429 D HN -0.091 nan 8.370 nan 0.000 0.495 430 P HA -0.180 nan 4.420 nan 0.000 0.217 430 P C 0.984 178.293 177.300 0.014 0.000 1.148 430 P CA 1.133 64.245 63.100 0.020 0.000 0.834 430 P CB 0.128 31.827 31.700 -0.001 0.000 0.783 431 R N -1.877 118.643 120.500 0.033 0.000 2.241 431 R HA -0.093 4.252 4.340 0.009 0.000 0.224 431 R C 1.545 177.673 176.300 -0.286 0.000 1.101 431 R CA 1.127 57.164 56.100 -0.106 0.000 0.995 431 R CB -0.779 29.438 30.300 -0.139 0.000 0.870 431 R HN 0.358 nan 8.270 nan 0.000 0.463 432 W N 0.194 121.438 121.300 -0.093 0.000 3.278 432 W HA 0.151 4.815 4.660 0.008 0.000 0.308 432 W C 1.604 178.063 176.519 -0.101 0.000 1.253 432 W CA -0.656 56.634 57.345 -0.093 0.000 1.759 432 W CB -0.122 29.281 29.460 -0.095 0.000 1.093 432 W HN -0.018 nan 8.180 nan 0.000 0.648 433 L N 2.497 123.753 121.223 0.054 0.000 2.013 433 L HA -0.115 4.231 4.340 0.009 0.000 0.212 433 L C -0.650 176.183 176.870 -0.062 0.000 1.073 433 L CA 2.425 57.255 54.840 -0.017 0.000 0.753 433 L CB -1.798 40.240 42.059 -0.034 0.000 0.890 433 L HN -0.217 nan 8.230 nan 0.000 0.432 434 P HA -0.147 nan 4.420 nan 0.000 0.213 434 P C 1.681 178.921 177.300 -0.101 0.000 1.170 434 P CA 2.272 65.305 63.100 -0.112 0.000 0.898 434 P CB -0.334 31.291 31.700 -0.125 0.000 0.787 435 A N -0.547 122.219 122.820 -0.090 0.000 1.927 435 A HA -0.256 4.069 4.320 0.009 0.000 0.220 435 A C 2.291 179.877 177.584 0.004 0.000 1.185 435 A CA 2.490 54.507 52.037 -0.034 0.000 0.639 435 A CB -1.622 17.387 19.000 0.015 0.000 0.820 435 A HN 0.119 nan 8.150 nan 0.000 0.451 436 M N -0.543 119.070 119.600 0.021 0.000 2.132 436 M HA -0.136 4.349 4.480 0.009 0.000 0.263 436 M C 2.592 178.839 176.300 -0.087 0.000 1.065 436 M CA 1.701 56.995 55.300 -0.009 0.000 1.122 436 M CB -0.495 32.082 32.600 -0.039 0.000 1.365 436 M HN 0.657 nan 8.290 nan 0.000 0.411 437 S N 0.830 116.451 115.700 -0.132 0.000 2.365 437 S HA -0.212 4.263 4.470 0.009 0.000 0.225 437 S C 1.663 176.100 174.600 -0.272 0.000 1.039 437 S CA 1.677 59.736 58.200 -0.235 0.000 1.033 437 S CB -0.415 62.644 63.200 -0.237 0.000 0.887 437 S HN 0.501 nan 8.310 nan 0.000 0.447 438 E N 0.528 120.614 120.200 -0.190 0.000 2.268 438 E HA -0.070 4.285 4.350 0.009 0.000 0.195 438 E C 2.352 178.868 176.600 -0.140 0.000 0.995 438 E CA 0.683 56.977 56.400 -0.176 0.000 0.836 438 E CB -0.152 29.478 29.700 -0.117 0.000 0.763 438 E HN 0.628 nan 8.360 nan 0.000 0.491 439 R N 0.220 120.663 120.500 -0.095 0.000 2.193 439 R HA -0.019 4.326 4.340 0.009 0.000 0.213 439 R C 2.218 178.478 176.300 -0.066 0.000 1.055 439 R CA 0.474 56.548 56.100 -0.042 0.000 0.995 439 R CB 0.156 30.468 30.300 0.019 0.000 0.893 439 R HN -0.003 nan 8.270 nan 0.000 0.459 440 V N 0.247 120.076 119.914 -0.141 0.000 2.436 440 V HA -0.162 3.963 4.120 0.009 0.000 0.240 440 V C 2.476 178.410 176.094 -0.268 0.000 1.040 440 V CA 2.043 64.243 62.300 -0.167 0.000 1.052 440 V CB -0.286 31.434 31.823 -0.170 0.000 0.707 440 V HN 0.449 nan 8.190 nan 0.000 0.469 441 T N 0.176 114.449 114.554 -0.469 0.000 2.684 441 T HA -0.286 4.069 4.350 0.009 0.000 0.267 441 T C 1.902 176.454 174.700 -0.246 0.000 1.036 441 T CA 1.764 63.522 62.100 -0.569 0.000 1.148 441 T CB -0.492 67.855 68.868 -0.869 0.000 0.863 441 T HN 0.455 nan 8.240 nan 0.000 0.436 442 R N 0.522 120.900 120.500 -0.202 0.000 2.115 442 R HA 0.181 4.526 4.340 0.009 0.000 0.230 442 R C 2.695 178.921 176.300 -0.123 0.000 1.111 442 R CA 1.367 57.381 56.100 -0.143 0.000 0.976 442 R CB -0.565 29.657 30.300 -0.129 0.000 0.870 442 R HN 0.449 nan 8.270 nan 0.000 0.445 443 M N 0.931 120.467 119.600 -0.106 0.000 2.080 443 M HA -0.175 4.310 4.480 0.009 0.000 0.260 443 M C 1.939 178.176 176.300 -0.106 0.000 1.068 443 M CA 1.721 56.987 55.300 -0.057 0.000 1.109 443 M CB 0.033 32.634 32.600 0.003 0.000 1.342 443 M HN 0.003 nan 8.290 nan 0.000 0.405 444 V N 1.091 120.845 119.914 -0.266 0.000 2.295 444 V HA -0.291 3.834 4.120 0.009 0.000 0.246 444 V C 2.330 178.318 176.094 -0.176 0.000 1.049 444 V CA 2.033 64.069 62.300 -0.441 0.000 1.024 444 V CB -1.036 30.477 31.823 -0.518 0.000 0.648 444 V HN 0.583 nan 8.190 nan 0.000 0.447 445 Q N -0.273 119.453 119.800 -0.123 0.000 2.234 445 Q HA -0.250 4.095 4.340 0.009 0.000 0.206 445 Q C 2.382 178.289 176.000 -0.154 0.000 0.980 445 Q CA 1.613 57.348 55.803 -0.114 0.000 0.869 445 Q CB -0.254 28.439 28.738 -0.076 0.000 0.912 445 Q HN 0.593 nan 8.270 nan 0.000 0.436 446 R N 0.490 120.896 120.500 -0.157 0.000 2.112 446 R HA -0.072 4.274 4.340 0.009 0.000 0.216 446 R C 0.553 176.760 176.300 -0.156 0.000 1.080 446 R CA 1.156 57.135 56.100 -0.201 0.000 0.996 446 R CB 0.454 30.636 30.300 -0.196 0.000 0.902 446 R HN 0.102 nan 8.270 nan 0.000 0.449 447 D N 0.068 120.438 120.400 -0.050 0.000 2.369 447 D HA -0.005 4.640 4.640 0.009 0.000 0.211 447 D C 1.435 177.800 176.300 0.108 0.000 1.077 447 D CA 0.148 54.147 54.000 -0.002 0.000 0.842 447 D CB 0.286 41.040 40.800 -0.078 0.000 0.947 447 D HN 0.339 nan 8.370 nan 0.000 0.509 448 R N 0.812 121.402 120.500 0.149 0.000 2.200 448 R HA -0.033 4.312 4.340 0.009 0.000 0.234 448 R C 1.030 177.313 176.300 -0.028 0.000 1.127 448 R CA 1.151 57.352 56.100 0.170 0.000 0.989 448 R CB -0.405 29.945 30.300 0.083 0.000 0.869 448 R HN -0.052 nan 8.270 nan 0.000 0.459 449 N N 0.107 118.712 118.700 -0.159 0.000 2.336 449 N HA -0.016 4.729 4.740 0.009 0.000 0.189 449 N C -0.463 174.900 175.510 -0.244 0.000 1.113 449 N CA 0.243 53.165 53.050 -0.213 0.000 0.858 449 N CB 0.075 38.405 38.487 -0.262 0.000 0.970 449 N HN 0.310 nan 8.380 nan 0.000 0.471 450 H N 1.165 120.158 119.070 -0.128 0.000 2.646 450 H HA 0.115 4.676 4.556 0.008 0.000 0.325 450 H C -1.198 173.976 175.328 -0.258 0.000 1.075 450 H CA -1.311 54.647 56.048 -0.149 0.000 1.421 450 H CB 1.612 31.317 29.762 -0.094 0.000 1.461 450 H HN 0.008 nan 8.280 nan 0.000 0.525 451 P HA -0.126 nan 4.420 nan 0.000 0.221 451 P C 1.350 178.200 177.300 -0.751 0.000 1.150 451 P CA 1.061 63.806 63.100 -0.592 0.000 0.800 451 P CB 0.235 31.320 31.700 -1.025 0.000 0.787 452 S N -1.174 114.185 115.700 -0.569 0.000 2.447 452 S HA -0.025 4.450 4.470 0.009 0.000 0.233 452 S C 1.043 175.619 174.600 -0.040 0.000 1.006 452 S CA 0.283 58.325 58.200 -0.263 0.000 0.957 452 S CB -1.369 61.809 63.200 -0.037 0.000 0.773 452 S HN -0.071 nan 8.310 nan 0.000 0.507 453 V N 3.651 123.501 119.914 -0.107 0.000 2.427 453 V HA 0.270 4.395 4.120 0.009 0.000 0.268 453 V C 1.020 176.974 176.094 -0.234 0.000 1.046 453 V CA -0.131 62.074 62.300 -0.157 0.000 0.970 453 V CB 0.519 32.163 31.823 -0.297 0.000 1.001 453 V HN 0.623 nan 8.190 nan 0.000 0.476 454 I N 2.478 122.958 120.570 -0.151 0.000 4.288 454 I HA 0.533 4.708 4.170 0.009 0.000 0.331 454 I C 0.285 176.281 176.117 -0.201 0.000 1.322 454 I CA 0.422 61.637 61.300 -0.142 0.000 1.149 454 I CB 0.546 38.537 38.000 -0.015 0.000 1.112 454 I HN 0.336 nan 8.210 nan 0.000 0.403 455 I N 0.285 120.710 120.570 -0.242 0.000 2.752 455 I HA 0.368 4.543 4.170 0.009 0.000 0.295 455 I C -1.639 174.368 176.117 -0.184 0.000 1.219 455 I CA -0.385 60.812 61.300 -0.171 0.000 1.030 455 I CB 2.253 40.243 38.000 -0.017 0.000 1.259 455 I HN 0.020 nan 8.210 nan 0.000 0.423 456 W N 3.892 125.230 121.300 0.064 0.000 2.496 456 W HA 0.670 5.334 4.660 0.006 0.000 0.327 456 W C 0.247 176.820 176.519 0.090 0.000 1.086 456 W CA -0.728 56.661 57.345 0.073 0.000 1.222 456 W CB 1.753 31.252 29.460 0.063 0.000 1.304 456 W HN 0.324 nan 8.180 nan 0.000 0.547 457 S N 2.819 118.739 115.700 0.366 0.000 2.521 457 S HA 0.408 4.883 4.470 0.009 0.000 0.295 457 S C 0.117 174.870 174.600 0.256 0.000 1.098 457 S CA -0.718 57.644 58.200 0.269 0.000 0.999 457 S CB 0.973 64.285 63.200 0.187 0.000 1.034 457 S HN 0.610 nan 8.310 nan 0.000 0.483 458 L N 3.760 125.125 121.223 0.236 0.000 2.610 458 L HA 0.336 4.681 4.340 0.009 0.000 0.232 458 L C 1.429 178.350 176.870 0.084 0.000 1.149 458 L CA 0.647 55.554 54.840 0.111 0.000 0.872 458 L CB -1.053 40.976 42.059 -0.050 0.000 0.992 458 L HN 1.032 nan 8.230 nan 0.000 0.447 459 G N -0.049 108.874 108.800 0.206 0.000 2.270 459 G HA2 -0.116 3.849 3.960 0.009 0.000 0.268 459 G HA3 -0.116 3.849 3.960 0.009 0.000 0.268 459 G C -1.680 173.394 174.900 0.290 0.000 1.312 459 G CA -0.590 44.636 45.100 0.211 0.000 1.050 459 G HN 0.157 nan 8.290 nan 0.000 0.474 460 N N 0.582 119.397 118.700 0.192 0.000 2.331 460 N HA 0.468 5.213 4.740 0.009 0.000 0.280 460 N C -0.033 175.448 175.510 -0.047 0.000 1.155 460 N CA 0.267 53.296 53.050 -0.035 0.000 0.822 460 N CB 1.436 39.599 38.487 -0.540 0.000 1.619 460 N HN 1.272 nan 8.380 nan 0.000 0.476 461 E N 0.627 120.707 120.200 -0.200 0.000 2.024 461 E HA -0.232 4.124 4.350 0.009 0.000 0.163 461 E C -1.104 175.409 176.600 -0.147 0.000 1.490 461 E CA 0.842 57.047 56.400 -0.326 0.000 0.586 461 E CB -1.900 27.368 29.700 -0.720 0.000 1.041 461 E HN 0.375 nan 8.360 nan 0.000 0.296 462 S N 0.688 116.450 115.700 0.103 0.000 3.021 462 S HA 0.462 4.937 4.470 0.009 0.000 0.252 462 S C 0.783 175.543 174.600 0.268 0.000 0.996 462 S CA -0.145 58.167 58.200 0.188 0.000 1.084 462 S CB 1.304 64.668 63.200 0.274 0.000 1.021 462 S HN 1.061 nan 8.310 nan 0.000 0.566 463 G N 2.053 110.943 108.800 0.151 0.000 2.578 463 G HA2 -0.277 3.689 3.960 0.009 0.000 0.275 463 G HA3 -0.277 3.689 3.960 0.009 0.000 0.275 463 G C -0.468 174.631 174.900 0.333 0.000 1.271 463 G CA 0.014 45.205 45.100 0.151 0.000 0.941 463 G HN 0.656 nan 8.290 nan 0.000 0.564 464 H N 0.539 119.718 119.070 0.182 0.000 2.906 464 H HA 0.563 5.125 4.556 0.009 0.000 0.324 464 H C 0.320 175.817 175.328 0.281 0.000 0.973 464 H CA -0.053 56.132 56.048 0.229 0.000 1.321 464 H CB 0.536 30.365 29.762 0.111 0.000 1.535 464 H HN 1.019 nan 8.280 nan 0.000 0.518 465 G N 1.485 110.383 108.800 0.163 0.000 2.600 465 G HA2 0.450 4.415 3.960 0.009 0.000 0.303 465 G HA3 0.450 4.415 3.960 0.009 0.000 0.303 465 G C 0.600 175.378 174.900 -0.204 0.000 1.253 465 G CA -0.148 44.862 45.100 -0.149 0.000 0.974 465 G HN 0.656 nan 8.290 nan 0.000 0.483 466 A N 0.382 123.105 122.820 -0.161 0.000 1.978 466 A HA -0.109 4.217 4.320 0.009 0.000 0.220 466 A C 2.122 179.678 177.584 -0.047 0.000 1.170 466 A CA 1.897 53.886 52.037 -0.079 0.000 0.636 466 A CB -0.457 18.516 19.000 -0.046 0.000 0.810 466 A HN 0.554 nan 8.150 nan 0.000 0.448 467 N N -0.192 118.442 118.700 -0.110 0.000 2.272 467 N HA -0.170 4.576 4.740 0.009 0.000 0.185 467 N C 1.328 176.768 175.510 -0.116 0.000 1.014 467 N CA 1.795 54.764 53.050 -0.135 0.000 0.870 467 N CB -0.666 37.709 38.487 -0.186 0.000 0.975 467 N HN 0.801 nan 8.380 nan 0.000 0.433 468 H N 0.324 119.379 119.070 -0.025 0.000 2.363 468 H HA 0.040 4.602 4.556 0.009 0.000 0.301 468 H C 1.315 176.708 175.328 0.109 0.000 1.074 468 H CA 0.976 57.024 56.048 0.001 0.000 1.354 468 H CB 0.169 29.944 29.762 0.021 0.000 1.397 468 H HN 0.148 nan 8.280 nan 0.000 0.516 469 D N 0.579 121.138 120.400 0.266 0.000 2.149 469 D HA -0.152 4.494 4.640 0.009 0.000 0.198 469 D C 2.248 178.690 176.300 0.238 0.000 0.990 469 D CA 1.234 55.370 54.000 0.226 0.000 0.839 469 D CB -0.248 40.660 40.800 0.180 0.000 0.948 469 D HN 0.440 nan 8.370 nan 0.000 0.460 470 A N 0.761 123.679 122.820 0.163 0.000 1.898 470 A HA -0.081 4.244 4.320 0.009 0.000 0.216 470 A C 2.419 180.121 177.584 0.197 0.000 1.181 470 A CA 0.741 52.869 52.037 0.152 0.000 0.620 470 A CB -0.690 18.357 19.000 0.079 0.000 0.819 470 A HN 0.181 nan 8.150 nan 0.000 0.442 471 L N -1.952 119.370 121.223 0.165 0.000 2.141 471 L HA -0.150 4.196 4.340 0.009 0.000 0.209 471 L C 2.563 179.593 176.870 0.267 0.000 1.094 471 L CA 1.536 56.478 54.840 0.169 0.000 0.763 471 L CB -0.598 41.496 42.059 0.057 0.000 0.908 471 L HN 0.650 nan 8.230 nan 0.000 0.437 472 Y N 0.400 120.783 120.300 0.138 0.000 2.200 472 Y HA -0.194 4.360 4.550 0.006 0.000 0.290 472 Y C 2.823 178.798 175.900 0.125 0.000 1.137 472 Y CA 1.240 59.420 58.100 0.134 0.000 1.163 472 Y CB -0.078 38.462 38.460 0.132 0.000 0.988 472 Y HN -0.087 nan 8.280 nan 0.000 0.518 473 R N 0.038 120.712 120.500 0.289 0.000 2.096 473 R HA -0.223 4.122 4.340 0.009 0.000 0.235 473 R C 1.984 178.294 176.300 0.016 0.000 1.127 473 R CA 1.746 57.909 56.100 0.105 0.000 0.968 473 R CB -1.447 28.968 30.300 0.193 0.000 0.861 473 R HN 0.663 nan 8.270 nan 0.000 0.440 474 W N 1.149 122.416 121.300 -0.055 0.000 2.335 474 W HA -0.170 4.495 4.660 0.009 0.000 0.311 474 W C 1.879 178.309 176.519 -0.148 0.000 1.213 474 W CA 1.671 58.964 57.345 -0.086 0.000 1.274 474 W CB -0.399 29.013 29.460 -0.080 0.000 1.148 474 W HN -0.022 nan 8.180 nan 0.000 0.498 475 I N 0.837 121.365 120.570 -0.071 0.000 2.179 475 I HA -0.362 3.813 4.170 0.009 0.000 0.242 475 I C 2.435 178.322 176.117 -0.383 0.000 1.088 475 I CA 1.466 62.581 61.300 -0.309 0.000 1.357 475 I CB -0.858 37.035 38.000 -0.179 0.000 1.051 475 I HN -0.084 nan 8.210 nan 0.000 0.409 476 K N 0.710 120.907 120.400 -0.339 0.000 2.113 476 K HA -0.138 4.187 4.320 0.009 0.000 0.208 476 K C 2.242 178.691 176.600 -0.253 0.000 1.047 476 K CA 1.370 57.485 56.287 -0.287 0.000 0.928 476 K CB -0.554 31.753 32.500 -0.322 0.000 0.716 476 K HN 0.252 nan 8.250 nan 0.000 0.446 477 S N 0.664 116.177 115.700 -0.311 0.000 2.357 477 S HA -0.056 4.419 4.470 0.009 0.000 0.221 477 S C 2.185 176.559 174.600 -0.377 0.000 1.031 477 S CA 0.841 58.861 58.200 -0.299 0.000 0.982 477 S CB -0.055 62.960 63.200 -0.309 0.000 0.853 477 S HN 0.018 nan 8.310 nan 0.000 0.458 478 V N 1.136 120.681 119.914 -0.615 0.000 2.453 478 V HA -0.016 4.109 4.120 0.009 0.000 0.247 478 V C 0.525 176.386 176.094 -0.389 0.000 1.048 478 V CA 1.345 63.268 62.300 -0.628 0.000 1.049 478 V CB -0.190 30.929 31.823 -1.173 0.000 0.672 478 V HN 0.417 nan 8.190 nan 0.000 0.457 479 D N -1.054 119.156 120.400 -0.316 0.000 2.364 479 D HA 0.239 4.885 4.640 0.009 0.000 0.251 479 D C -2.224 174.053 176.300 -0.039 0.000 1.282 479 D CA -1.644 52.280 54.000 -0.127 0.000 0.927 479 D CB 1.592 42.392 40.800 -0.000 0.000 1.267 479 D HN 0.093 nan 8.370 nan 0.000 0.531 480 P HA -0.031 nan 4.420 nan 0.000 0.242 480 P C 1.222 178.533 177.300 0.019 0.000 1.197 480 P CA 0.365 63.449 63.100 -0.027 0.000 0.765 480 P CB 0.175 31.852 31.700 -0.039 0.000 0.936 481 S N -1.140 114.582 115.700 0.037 0.000 2.474 481 S HA -0.011 4.464 4.470 0.009 0.000 0.235 481 S C 0.930 175.553 174.600 0.039 0.000 0.997 481 S CA 0.187 58.413 58.200 0.042 0.000 0.949 481 S CB -0.342 62.876 63.200 0.029 0.000 0.766 481 S HN 0.069 nan 8.310 nan 0.000 0.517 482 R N 0.549 121.088 120.500 0.064 0.000 2.808 482 R HA 0.620 4.965 4.340 0.009 0.000 0.272 482 R C -3.131 173.220 176.300 0.085 0.000 0.995 482 R CA -2.228 53.884 56.100 0.020 0.000 0.917 482 R CB 1.703 31.929 30.300 -0.122 0.000 1.217 482 R HN 0.153 nan 8.270 nan 0.000 0.471 483 P HA 0.301 nan 4.420 nan 0.000 0.282 483 P C -0.996 176.401 177.300 0.162 0.000 1.259 483 P CA -0.603 62.553 63.100 0.094 0.000 0.826 483 P CB 1.082 32.823 31.700 0.069 0.000 1.064 484 V N 1.804 121.831 119.914 0.188 0.000 2.581 484 V HA 0.497 4.622 4.120 0.009 0.000 0.303 484 V C 0.112 176.368 176.094 0.271 0.000 1.041 484 V CA -0.372 62.087 62.300 0.264 0.000 0.907 484 V CB 1.393 33.353 31.823 0.228 0.000 0.994 484 V HN 0.647 nan 8.190 nan 0.000 0.442 485 Q N 3.172 123.122 119.800 0.250 0.000 2.421 485 Q HA 0.780 5.125 4.340 0.009 0.000 0.280 485 Q C -1.846 174.300 176.000 0.243 0.000 1.085 485 Q CA -0.906 55.011 55.803 0.191 0.000 0.807 485 Q CB 2.777 31.574 28.738 0.098 0.000 1.405 485 Q HN 0.656 nan 8.270 nan 0.000 0.419 486 Y N 0.547 120.852 120.300 0.008 0.000 2.390 486 Y HA 0.200 4.754 4.550 0.007 0.000 0.324 486 Y C -0.443 175.390 175.900 -0.112 0.000 1.151 486 Y CA -0.771 57.298 58.100 -0.052 0.000 1.053 486 Y CB 2.241 40.655 38.460 -0.076 0.000 1.277 486 Y HN 0.972 nan 8.280 nan 0.000 0.432 487 E N 3.470 123.227 120.200 -0.737 0.000 2.276 487 E HA 0.130 4.486 4.350 0.009 0.000 0.193 487 E C 0.686 176.813 176.600 -0.788 0.000 0.983 487 E CA 0.682 56.713 56.400 -0.615 0.000 0.861 487 E CB 0.217 29.670 29.700 -0.411 0.000 0.817 487 E HN 0.908 nan 8.360 nan 0.000 0.485 488 G N 0.134 108.018 108.800 -1.526 0.000 2.460 488 G HA2 0.158 4.123 3.960 0.009 0.000 0.230 488 G HA3 0.158 4.123 3.960 0.009 0.000 0.230 488 G C 0.825 175.514 174.900 -0.351 0.000 1.248 488 G CA 0.407 44.990 45.100 -0.861 0.000 0.863 488 G HN 0.407 nan 8.290 nan 0.000 0.549 489 G N -0.281 108.441 108.800 -0.130 0.000 2.176 489 G HA2 0.233 4.198 3.960 0.009 0.000 0.252 489 G HA3 0.233 4.198 3.960 0.009 0.000 0.252 489 G C 1.304 176.194 174.900 -0.016 0.000 1.024 489 G CA 0.949 46.050 45.100 0.002 0.000 0.755 489 G HN 2.653 nan 8.290 nan 0.000 0.507 490 G N -1.642 107.140 108.800 -0.030 0.000 2.229 490 G HA2 0.429 4.394 3.960 0.009 0.000 0.189 490 G HA3 0.429 4.394 3.960 0.009 0.000 0.189 490 G C 1.024 176.022 174.900 0.163 0.000 1.000 490 G CA 1.415 46.556 45.100 0.069 0.000 0.663 490 G HN 2.349 nan 8.290 nan 0.000 0.493 491 A N -0.214 122.594 122.820 -0.020 0.000 3.661 491 A HA -0.150 4.176 4.320 0.009 0.000 0.269 491 A C 1.098 178.625 177.584 -0.095 0.000 1.056 491 A CA 2.613 54.590 52.037 -0.100 0.000 1.159 491 A CB -1.841 17.070 19.000 -0.148 0.000 1.105 491 A HN 2.049 nan 8.150 nan 0.000 0.907 492 D N -0.428 119.996 120.400 0.041 0.000 2.650 492 D HA 0.332 4.977 4.640 0.009 0.000 0.265 492 D C 0.573 176.861 176.300 -0.020 0.000 1.339 492 D CA 0.850 54.872 54.000 0.037 0.000 0.816 492 D CB -1.129 39.820 40.800 0.249 0.000 1.091 492 D HN 0.828 nan 8.370 nan 0.000 0.483 493 T N -2.221 112.252 114.554 -0.135 0.000 2.681 493 T HA 0.103 4.458 4.350 0.009 0.000 0.333 493 T C 1.574 176.139 174.700 -0.225 0.000 1.049 493 T CA 0.592 62.545 62.100 -0.246 0.000 1.002 493 T CB 0.440 68.920 68.868 -0.646 0.000 1.161 493 T HN 0.112 nan 8.240 nan 0.000 0.519 494 T N -2.675 111.729 114.554 -0.250 0.000 3.160 494 T HA 0.311 4.666 4.350 0.009 0.000 0.257 494 T C 1.483 175.908 174.700 -0.457 0.000 1.147 494 T CA 0.171 62.137 62.100 -0.223 0.000 1.064 494 T CB -0.398 68.414 68.868 -0.094 0.000 0.949 494 T HN 0.824 nan 8.240 nan 0.000 0.526 495 A N 0.530 123.077 122.820 -0.455 0.000 2.460 495 A HA 0.520 4.846 4.320 0.009 0.000 0.258 495 A C 0.819 178.197 177.584 -0.344 0.000 1.300 495 A CA -0.284 51.412 52.037 -0.568 0.000 0.913 495 A CB 0.100 19.023 19.000 -0.129 0.000 1.031 495 A HN 0.429 nan 8.150 nan 0.000 0.512 496 T N -1.636 112.774 114.554 -0.240 0.000 2.912 496 T HA 0.391 4.746 4.350 0.009 0.000 0.299 496 T C -0.650 174.087 174.700 0.061 0.000 1.052 496 T CA -0.426 61.686 62.100 0.020 0.000 0.996 496 T CB 1.357 70.219 68.868 -0.012 0.000 1.070 496 T HN 0.051 nan 8.240 nan 0.000 0.465 497 D N 2.532 123.036 120.400 0.173 0.000 2.348 497 D HA 0.299 4.944 4.640 0.009 0.000 0.211 497 D C 0.305 176.636 176.300 0.051 0.000 0.998 497 D CA 0.701 54.784 54.000 0.138 0.000 0.873 497 D CB 0.381 41.281 40.800 0.167 0.000 0.925 497 D HN 0.530 nan 8.370 nan 0.000 0.524 498 I N 0.797 121.376 120.570 0.016 0.000 2.647 498 I HA 0.253 4.428 4.170 0.009 0.000 0.295 498 I C -0.304 175.746 176.117 -0.111 0.000 1.078 498 I CA -0.906 60.368 61.300 -0.044 0.000 1.048 498 I CB 2.968 40.950 38.000 -0.029 0.000 1.239 498 I HN -0.353 nan 8.210 nan 0.000 0.421 499 I N 5.261 125.720 120.570 -0.186 0.000 2.436 499 I HA 0.092 4.267 4.170 0.009 0.000 0.289 499 I C 0.110 176.020 176.117 -0.344 0.000 1.083 499 I CA -0.104 60.996 61.300 -0.333 0.000 1.372 499 I CB 0.210 37.911 38.000 -0.499 0.000 1.408 499 I HN 0.665 nan 8.210 nan 0.000 0.516 500 C N 5.482 124.596 119.300 -0.311 0.000 3.401 500 C HA 0.469 4.934 4.460 0.009 0.000 0.204 500 C C -2.146 172.701 174.990 -0.239 0.000 1.522 500 C CA -2.228 56.650 59.018 -0.232 0.000 1.409 500 C CB -0.839 26.821 27.740 -0.133 0.000 1.967 500 C HN 0.424 nan 8.230 nan 0.000 0.496 501 P HA 0.347 nan 4.420 nan 0.000 0.274 501 P C -0.457 176.770 177.300 -0.122 0.000 1.256 501 P CA 0.200 63.187 63.100 -0.188 0.000 0.795 501 P CB 0.770 32.366 31.700 -0.174 0.000 1.038 502 M N -0.234 119.312 119.600 -0.089 0.000 2.243 502 M HA 0.457 4.942 4.480 0.009 0.000 0.324 502 M C -0.851 175.379 176.300 -0.116 0.000 1.031 502 M CA -0.672 54.468 55.300 -0.267 0.000 0.949 502 M CB 1.341 33.736 32.600 -0.342 0.000 1.615 502 M HN 0.342 nan 8.290 nan 0.000 0.430 503 Y N -0.355 120.090 120.300 0.241 0.000 4.490 503 Y HA -0.201 4.355 4.550 0.010 0.000 0.233 503 Y C 0.434 176.484 175.900 0.250 0.000 1.101 503 Y CA 0.397 58.638 58.100 0.234 0.000 2.010 503 Y CB -2.320 36.234 38.460 0.156 0.000 1.622 503 Y HN 0.980 nan 8.280 nan 0.000 0.675 504 A N 0.985 124.002 122.820 0.329 0.000 2.440 504 A HA 0.587 4.912 4.320 0.009 0.000 0.251 504 A C 0.702 178.494 177.584 0.346 0.000 1.089 504 A CA -0.386 51.853 52.037 0.335 0.000 0.779 504 A CB 0.366 19.594 19.000 0.380 0.000 1.022 504 A HN 0.424 nan 8.150 nan 0.000 0.492 505 R N 1.344 121.983 120.500 0.232 0.000 2.583 505 R HA 0.350 4.695 4.340 0.009 0.000 0.268 505 R C 1.213 177.515 176.300 0.004 0.000 1.101 505 R CA -0.512 55.670 56.100 0.137 0.000 1.180 505 R CB 0.633 30.973 30.300 0.066 0.000 1.128 505 R HN 0.497 nan 8.270 nan 0.000 0.568 506 V N 0.544 120.317 119.914 -0.235 0.000 2.244 506 V HA -0.207 3.918 4.120 0.009 0.000 0.244 506 V C 1.018 177.015 176.094 -0.162 0.000 1.042 506 V CA 1.908 64.022 62.300 -0.310 0.000 1.006 506 V CB -0.241 31.264 31.823 -0.531 0.000 0.641 506 V HN 0.747 nan 8.190 nan 0.000 0.446 507 D N -0.969 119.353 120.400 -0.129 0.000 2.422 507 D HA 0.081 4.726 4.640 0.009 0.000 0.218 507 D C 0.784 177.065 176.300 -0.031 0.000 1.047 507 D CA 0.133 54.087 54.000 -0.077 0.000 0.885 507 D CB 0.500 41.253 40.800 -0.079 0.000 1.035 507 D HN 0.679 nan 8.370 nan 0.000 0.502 508 E N 1.395 121.582 120.200 -0.022 0.000 2.231 508 E HA 0.306 4.661 4.350 0.009 0.000 0.277 508 E C -0.749 175.853 176.600 0.003 0.000 0.999 508 E CA -0.722 55.672 56.400 -0.008 0.000 0.827 508 E CB 1.447 31.139 29.700 -0.014 0.000 1.101 508 E HN -0.225 nan 8.360 nan 0.000 0.393 509 D N 2.508 122.907 120.400 -0.003 0.000 2.253 509 D HA 0.140 4.785 4.640 0.009 0.000 0.249 509 D C -0.504 175.685 176.300 -0.185 0.000 1.049 509 D CA -0.309 53.674 54.000 -0.028 0.000 0.929 509 D CB 1.331 42.195 40.800 0.106 0.000 1.176 509 D HN 0.429 nan 8.370 nan 0.000 0.437 510 Q N 1.192 120.758 119.800 -0.390 0.000 2.616 510 Q HA 0.281 4.626 4.340 0.009 0.000 0.250 510 Q C -2.384 172.920 176.000 -1.159 0.000 0.991 510 Q CA -1.570 53.796 55.803 -0.729 0.000 0.707 510 Q CB 2.627 30.949 28.738 -0.693 0.000 1.247 510 Q HN 0.146 nan 8.270 nan 0.000 0.491 511 P HA 0.129 nan 4.420 nan 0.000 0.214 511 P C -0.769 176.213 177.300 -0.529 0.000 1.849 511 P CA -0.286 62.372 63.100 -0.737 0.000 1.022 511 P CB -0.384 31.084 31.700 -0.386 0.000 1.912 512 F N 2.716 122.523 119.950 -0.238 0.000 2.506 512 F HA 0.211 4.743 4.527 0.008 0.000 0.351 512 F C -1.150 174.554 175.800 -0.160 0.000 1.136 512 F CA -2.454 55.451 58.000 -0.159 0.000 1.298 512 F CB -0.416 38.502 39.000 -0.138 0.000 1.145 512 F HN 0.087 nan 8.300 nan 0.000 0.593 513 P HA 0.062 nan 4.420 nan 0.000 0.268 513 P C 0.330 177.650 177.300 0.034 0.000 1.204 513 P CA 1.004 64.126 63.100 0.036 0.000 0.768 513 P CB 1.158 32.876 31.700 0.031 0.000 0.842 514 A N 3.111 125.938 122.820 0.011 0.000 2.617 514 A HA -0.247 4.078 4.320 0.009 0.000 0.236 514 A C 0.681 178.268 177.584 0.005 0.000 0.551 514 A CA 1.924 53.969 52.037 0.013 0.000 1.144 514 A CB -2.632 16.376 19.000 0.014 0.000 1.384 514 A HN 0.683 nan 8.150 nan 0.000 0.694 515 V N -3.131 116.789 119.914 0.010 0.000 2.464 515 V HA 0.580 4.705 4.120 0.009 0.000 0.255 515 V C -2.428 173.671 176.094 0.009 0.000 0.946 515 V CA -1.206 61.098 62.300 0.005 0.000 0.988 515 V CB 0.748 32.581 31.823 0.016 0.000 1.210 515 V HN 0.482 nan 8.190 nan 0.000 0.523 516 P HA 0.334 nan 4.420 nan 0.000 0.274 516 P C -0.676 176.165 177.300 -0.766 0.000 1.246 516 P CA -0.035 62.687 63.100 -0.630 0.000 0.795 516 P CB 1.041 31.945 31.700 -1.326 0.000 1.006 517 K N 1.452 121.385 120.400 -0.778 0.000 2.530 517 K HA 0.205 4.530 4.320 0.009 0.000 0.230 517 K C -0.432 175.817 176.600 -0.584 0.000 1.002 517 K CA -0.259 55.746 56.287 -0.470 0.000 1.014 517 K CB 0.463 32.975 32.500 0.020 0.000 1.286 517 K HN 0.490 nan 8.250 nan 0.000 0.480 518 W N 1.373 122.332 121.300 -0.569 0.000 2.079 518 W HA 0.008 4.675 4.660 0.011 0.000 0.354 518 W C 1.403 177.923 176.519 0.001 0.000 1.302 518 W CA -0.575 56.556 57.345 -0.356 0.000 1.281 518 W CB 0.360 29.471 29.460 -0.583 0.000 1.165 518 W HN 0.379 nan 8.180 nan 0.000 0.603 519 S N 2.590 118.465 115.700 0.292 0.000 2.549 519 S HA -0.017 4.459 4.470 0.009 0.000 0.286 519 S C 1.101 175.859 174.600 0.263 0.000 1.314 519 S CA -0.316 57.995 58.200 0.185 0.000 1.062 519 S CB 0.258 63.502 63.200 0.072 0.000 0.865 519 S HN 0.527 nan 8.310 nan 0.000 0.498 520 I N 1.803 122.494 120.570 0.202 0.000 2.208 520 I HA -0.202 3.974 4.170 0.009 0.000 0.245 520 I C 1.990 178.131 176.117 0.041 0.000 1.097 520 I CA 1.285 62.691 61.300 0.177 0.000 1.363 520 I CB -0.601 37.447 38.000 0.081 0.000 1.051 520 I HN 0.621 nan 8.210 nan 0.000 0.413 521 K N 1.735 122.056 120.400 -0.131 0.000 2.097 521 K HA -0.179 4.146 4.320 0.009 0.000 0.206 521 K C 2.193 178.769 176.600 -0.040 0.000 1.049 521 K CA 1.611 57.725 56.287 -0.288 0.000 0.933 521 K CB -0.395 31.862 32.500 -0.406 0.000 0.717 521 K HN 0.475 nan 8.250 nan 0.000 0.442 522 K N 0.456 120.868 120.400 0.020 0.000 2.155 522 K HA -0.143 4.182 4.320 0.009 0.000 0.203 522 K C 1.904 178.524 176.600 0.034 0.000 1.052 522 K CA 0.543 56.832 56.287 0.005 0.000 0.948 522 K CB -0.059 32.415 32.500 -0.043 0.000 0.728 522 K HN 0.188 nan 8.250 nan 0.000 0.448 523 W N 2.148 123.421 121.300 -0.044 0.000 2.321 523 W HA -0.210 4.452 4.660 0.004 0.000 0.306 523 W C 1.528 178.016 176.519 -0.052 0.000 1.217 523 W CA 1.239 58.570 57.345 -0.024 0.000 1.257 523 W CB -0.571 28.979 29.460 0.149 0.000 1.145 523 W HN 0.086 nan 8.180 nan 0.000 0.509 524 L N 0.767 122.139 121.223 0.248 0.000 2.191 524 L HA -0.218 4.127 4.340 0.009 0.000 0.212 524 L C 2.068 178.995 176.870 0.094 0.000 1.103 524 L CA 1.790 56.713 54.840 0.139 0.000 0.769 524 L CB -0.822 41.301 42.059 0.108 0.000 0.908 524 L HN -0.078 nan 8.230 nan 0.000 0.438 525 S N -1.540 114.194 115.700 0.058 0.000 2.568 525 S HA 0.247 4.722 4.470 0.009 0.000 0.232 525 S C 0.347 174.925 174.600 -0.037 0.000 0.975 525 S CA -0.581 57.628 58.200 0.016 0.000 0.949 525 S CB -0.040 63.170 63.200 0.017 0.000 0.829 525 S HN -0.025 nan 8.310 nan 0.000 0.479 526 L N 3.292 124.481 121.223 -0.058 0.000 2.483 526 L HA 0.322 4.668 4.340 0.009 0.000 0.276 526 L C -2.351 174.484 176.870 -0.059 0.000 1.213 526 L CA -1.659 53.102 54.840 -0.132 0.000 0.843 526 L CB -0.503 41.462 42.059 -0.156 0.000 1.107 526 L HN 0.037 nan 8.230 nan 0.000 0.487 527 P HA 0.223 nan 4.420 nan 0.000 0.267 527 P C 0.667 177.959 177.300 -0.013 0.000 1.209 527 P CA 0.738 63.814 63.100 -0.039 0.000 0.763 527 P CB 0.693 32.366 31.700 -0.046 0.000 0.816 528 G N 1.924 110.724 108.800 -0.001 0.000 2.241 528 G HA2 -0.225 3.740 3.960 0.009 0.000 0.244 528 G HA3 -0.225 3.740 3.960 0.009 0.000 0.244 528 G C 0.318 175.233 174.900 0.025 0.000 0.998 528 G CA -0.251 44.856 45.100 0.012 0.000 0.621 528 G HN 0.553 nan 8.290 nan 0.000 0.519 529 E N 1.244 121.465 120.200 0.035 0.000 2.360 529 E HA 0.554 4.909 4.350 0.009 0.000 0.269 529 E C 1.390 178.013 176.600 0.038 0.000 1.022 529 E CA 0.730 57.162 56.400 0.054 0.000 0.887 529 E CB 0.955 30.711 29.700 0.094 0.000 0.990 529 E HN 0.687 nan 8.360 nan 0.000 0.426 530 T N 0.180 114.753 114.554 0.032 0.000 3.252 530 T HA 0.296 4.651 4.350 0.009 0.000 0.295 530 T C 0.562 175.269 174.700 0.012 0.000 0.897 530 T CA -0.442 61.671 62.100 0.022 0.000 0.905 530 T CB 0.161 69.041 68.868 0.020 0.000 1.202 530 T HN 0.212 nan 8.240 nan 0.000 0.592 531 R N 2.488 122.992 120.500 0.005 0.000 2.615 531 R HA 0.478 4.823 4.340 0.009 0.000 0.270 531 R C -2.495 173.783 176.300 -0.036 0.000 1.081 531 R CA -1.874 54.218 56.100 -0.013 0.000 1.154 531 R CB 0.153 30.439 30.300 -0.024 0.000 1.063 531 R HN 0.243 nan 8.270 nan 0.000 0.519 532 P HA 0.025 nan 4.420 nan 0.000 0.272 532 P C -1.205 176.023 177.300 -0.120 0.000 1.230 532 P CA -0.233 62.825 63.100 -0.071 0.000 0.788 532 P CB 0.592 32.252 31.700 -0.067 0.000 0.949 533 L N 2.778 123.909 121.223 -0.153 0.000 2.349 533 L HA 0.597 4.942 4.340 0.009 0.000 0.278 533 L C -1.244 175.473 176.870 -0.254 0.000 0.996 533 L CA -0.572 54.136 54.840 -0.220 0.000 0.825 533 L CB 0.610 42.511 42.059 -0.264 0.000 1.243 533 L HN 0.234 nan 8.230 nan 0.000 0.412 534 I N 5.760 126.188 120.570 -0.237 0.000 2.468 534 I HA 0.308 4.483 4.170 0.009 0.000 0.285 534 I C -0.737 175.279 176.117 -0.168 0.000 1.039 534 I CA -0.689 60.463 61.300 -0.247 0.000 1.074 534 I CB 1.984 39.904 38.000 -0.133 0.000 1.228 534 I HN 0.530 nan 8.210 nan 0.000 0.436 535 L N 5.586 126.677 121.223 -0.219 0.000 2.477 535 L HA 0.048 4.393 4.340 0.009 0.000 0.272 535 L C 1.490 178.437 176.870 0.128 0.000 1.157 535 L CA -0.214 54.563 54.840 -0.105 0.000 0.889 535 L CB 0.699 42.651 42.059 -0.178 0.000 1.158 535 L HN 0.875 nan 8.230 nan 0.000 0.473 536 C N 0.499 119.850 119.300 0.085 0.000 2.446 536 C HA 0.112 4.577 4.460 0.009 0.000 0.279 536 C C 0.606 175.738 174.990 0.237 0.000 1.366 536 C CA -0.140 58.963 59.018 0.142 0.000 1.763 536 C CB -1.070 26.661 27.740 -0.014 0.000 1.929 536 C HN 0.830 nan 8.230 nan 0.000 0.509 537 E N -0.777 119.494 120.200 0.119 0.000 2.321 537 E HA 0.596 4.951 4.350 0.009 0.000 0.281 537 E C -1.348 175.212 176.600 -0.067 0.000 0.910 537 E CA -0.397 56.072 56.400 0.115 0.000 0.770 537 E CB 1.731 31.363 29.700 -0.115 0.000 1.225 537 E HN 0.684 nan 8.360 nan 0.000 0.417 538 Y N -0.989 119.295 120.300 -0.026 0.000 2.638 538 Y HA 0.665 5.221 4.550 0.010 0.000 0.335 538 Y C -0.645 175.408 175.900 0.255 0.000 1.155 538 Y CA -0.972 57.108 58.100 -0.034 0.000 1.046 538 Y CB 1.114 39.422 38.460 -0.253 0.000 1.303 538 Y HN 0.698 nan 8.280 nan 0.000 0.460 539 A N 2.058 124.940 122.820 0.102 0.000 2.183 539 A HA -0.263 4.062 4.320 0.009 0.000 0.278 539 A C -0.435 177.293 177.584 0.239 0.000 1.404 539 A CA 0.993 53.093 52.037 0.104 0.000 0.737 539 A CB -2.431 16.521 19.000 -0.080 0.000 1.172 539 A HN 1.089 nan 8.150 nan 0.000 0.338 540 H N 0.996 120.229 119.070 0.271 0.000 3.191 540 H HA 0.249 4.810 4.556 0.008 0.000 0.261 540 H C 1.177 176.587 175.328 0.136 0.000 1.013 540 H CA 0.800 57.014 56.048 0.277 0.000 1.457 540 H CB 0.416 30.217 29.762 0.066 0.000 1.535 540 H HN 0.830 nan 8.280 nan 0.000 0.518 541 A N 6.483 129.232 122.820 -0.119 0.000 2.648 541 A HA 0.040 4.365 4.320 0.009 0.000 0.269 541 A C 0.982 178.425 177.584 -0.235 0.000 1.392 541 A CA -0.385 51.552 52.037 -0.168 0.000 1.019 541 A CB -0.599 18.290 19.000 -0.185 0.000 1.009 541 A HN 0.802 nan 8.150 nan 0.000 0.565 542 M N 1.428 120.865 119.600 -0.271 0.000 2.266 542 M HA 0.408 4.893 4.480 0.009 0.000 0.340 542 M C 1.044 177.206 176.300 -0.229 0.000 1.486 542 M CA 1.266 56.431 55.300 -0.226 0.000 1.209 542 M CB -0.480 32.045 32.600 -0.125 0.000 1.714 542 M HN 0.783 nan 8.290 nan 0.000 0.459 543 G N 4.465 113.115 108.800 -0.249 0.000 2.556 543 G HA2 -0.348 3.618 3.960 0.009 0.000 0.283 543 G HA3 -0.348 3.618 3.960 0.009 0.000 0.283 543 G C -0.142 174.303 174.900 -0.759 0.000 1.177 543 G CA 0.145 44.946 45.100 -0.497 0.000 0.978 543 G HN 0.814 nan 8.290 nan 0.000 0.554 544 N N 1.597 119.719 118.700 -0.964 0.000 2.466 544 N HA 0.522 5.267 4.740 0.009 0.000 0.263 544 N C -0.093 175.181 175.510 -0.393 0.000 1.178 544 N CA 1.060 53.662 53.050 -0.747 0.000 0.983 544 N CB 0.403 38.478 38.487 -0.688 0.000 1.331 544 N HN 0.704 nan 8.380 nan 0.000 0.500 545 S N 1.686 117.234 115.700 -0.254 0.000 2.903 545 S HA 0.627 5.103 4.470 0.009 0.000 0.314 545 S C -0.142 174.402 174.600 -0.092 0.000 1.177 545 S CA -0.409 57.700 58.200 -0.153 0.000 0.859 545 S CB 0.384 63.516 63.200 -0.113 0.000 1.265 545 S HN 0.409 nan 8.310 nan 0.000 0.584 546 L N 0.164 121.368 121.223 -0.032 0.000 4.609 546 L HA -0.057 4.289 4.340 0.009 0.000 0.396 546 L C 0.444 177.371 176.870 0.094 0.000 1.028 546 L CA 0.793 55.644 54.840 0.017 0.000 1.232 546 L CB -1.718 40.271 42.059 -0.117 0.000 2.071 546 L HN 0.700 nan 8.230 nan 0.000 0.613 547 G N -0.894 107.936 108.800 0.050 0.000 2.398 547 G HA2 0.481 4.446 3.960 0.009 0.000 0.246 547 G HA3 0.481 4.446 3.960 0.009 0.000 0.246 547 G C 1.238 176.216 174.900 0.131 0.000 1.289 547 G CA 0.177 45.292 45.100 0.024 0.000 0.869 547 G HN 1.355 nan 8.290 nan 0.000 0.543 548 G N 1.669 110.548 108.800 0.131 0.000 2.175 548 G HA2 -0.327 3.638 3.960 0.009 0.000 0.244 548 G HA3 -0.327 3.638 3.960 0.009 0.000 0.244 548 G C 1.115 176.211 174.900 0.326 0.000 0.982 548 G CA 0.804 46.034 45.100 0.216 0.000 0.641 548 G HN 0.835 nan 8.290 nan 0.000 0.527 549 F N 2.043 122.132 119.950 0.232 0.000 2.115 549 F HA -0.006 4.527 4.527 0.010 0.000 0.300 549 F C 2.718 178.745 175.800 0.379 0.000 1.092 549 F CA 2.797 61.002 58.000 0.342 0.000 1.245 549 F CB -0.480 38.656 39.000 0.227 0.000 0.995 549 F HN 0.395 nan 8.300 nan 0.000 0.481 550 A N -0.208 122.805 122.820 0.321 0.000 1.972 550 A HA -0.212 4.113 4.320 0.009 0.000 0.219 550 A C 2.288 179.891 177.584 0.031 0.000 1.169 550 A CA 1.680 53.826 52.037 0.182 0.000 0.635 550 A CB -0.664 18.438 19.000 0.169 0.000 0.810 550 A HN 0.432 nan 8.150 nan 0.000 0.446 551 K N -1.405 118.993 120.400 -0.004 0.000 2.074 551 K HA -0.212 4.113 4.320 0.009 0.000 0.209 551 K C 1.831 178.192 176.600 -0.398 0.000 1.048 551 K CA 2.009 58.198 56.287 -0.164 0.000 0.926 551 K CB -0.418 31.963 32.500 -0.198 0.000 0.713 551 K HN 0.674 nan 8.250 nan 0.000 0.444 552 Y N -0.541 119.474 120.300 -0.475 0.000 2.097 552 Y HA -0.271 4.283 4.550 0.008 0.000 0.282 552 Y C 2.206 177.091 175.900 -1.692 0.000 1.152 552 Y CA 1.388 58.843 58.100 -1.076 0.000 1.136 552 Y CB -0.434 37.407 38.460 -1.032 0.000 0.975 552 Y HN 0.174 nan 8.280 nan 0.000 0.498 553 W N 0.420 121.279 121.300 -0.735 0.000 2.364 553 W HA -0.232 4.434 4.660 0.010 0.000 0.281 553 W C 2.604 178.917 176.519 -0.344 0.000 1.219 553 W CA 1.917 58.932 57.345 -0.550 0.000 1.220 553 W CB -0.529 28.723 29.460 -0.347 0.000 1.127 553 W HN 0.214 nan 8.180 nan 0.000 0.556 554 Q N -0.013 119.639 119.800 -0.247 0.000 2.269 554 Q HA -0.050 4.296 4.340 0.009 0.000 0.201 554 Q C 2.169 178.101 176.000 -0.114 0.000 0.946 554 Q CA 1.397 57.132 55.803 -0.112 0.000 0.877 554 Q CB -0.250 28.457 28.738 -0.050 0.000 0.963 554 Q HN 0.165 nan 8.270 nan 0.000 0.472 555 A N 0.690 123.348 122.820 -0.269 0.000 1.872 555 A HA -0.062 4.263 4.320 0.009 0.000 0.214 555 A C 1.834 179.442 177.584 0.040 0.000 1.187 555 A CA 0.877 52.830 52.037 -0.141 0.000 0.614 555 A CB -1.033 17.766 19.000 -0.335 0.000 0.826 555 A HN 0.533 nan 8.150 nan 0.000 0.442 556 F N 0.023 119.803 119.950 -0.282 0.000 2.087 556 F HA -0.287 4.245 4.527 0.009 0.000 0.299 556 F C 2.734 178.447 175.800 -0.144 0.000 1.100 556 F CA 1.331 59.136 58.000 -0.326 0.000 1.226 556 F CB -0.243 38.345 39.000 -0.686 0.000 0.983 556 F HN 0.189 nan 8.300 nan 0.000 0.479 557 R N -0.073 120.495 120.500 0.113 0.000 2.148 557 R HA -0.151 4.194 4.340 0.009 0.000 0.223 557 R C 2.042 178.387 176.300 0.075 0.000 1.088 557 R CA 1.023 57.175 56.100 0.088 0.000 0.985 557 R CB -0.389 29.958 30.300 0.078 0.000 0.880 557 R HN 0.425 nan 8.270 nan 0.000 0.451 558 Q N -0.313 119.562 119.800 0.124 0.000 2.250 558 Q HA 0.001 4.346 4.340 0.009 0.000 0.200 558 Q C -0.457 175.557 176.000 0.022 0.000 0.941 558 Q CA 0.643 56.499 55.803 0.087 0.000 0.872 558 Q CB 0.518 29.355 28.738 0.165 0.000 0.965 558 Q HN 0.194 nan 8.270 nan 0.000 0.480 559 Y N 0.335 120.623 120.300 -0.019 0.000 2.353 559 Y HA 0.249 4.804 4.550 0.007 0.000 0.340 559 Y C -1.734 174.144 175.900 -0.037 0.000 0.972 559 Y CA -2.832 55.254 58.100 -0.023 0.000 1.157 559 Y CB 1.263 39.714 38.460 -0.015 0.000 1.157 559 Y HN 0.123 nan 8.280 nan 0.000 0.495 560 P HA -0.208 nan 4.420 nan 0.000 0.216 560 P C 1.194 178.494 177.300 0.001 0.000 1.157 560 P CA 1.798 64.902 63.100 0.007 0.000 0.880 560 P CB 0.328 32.018 31.700 -0.017 0.000 0.791 561 R N -0.996 119.522 120.500 0.030 0.000 2.316 561 R HA 0.051 4.396 4.340 0.009 0.000 0.202 561 R C 0.586 176.857 176.300 -0.048 0.000 1.029 561 R CA 0.343 56.441 56.100 -0.003 0.000 1.018 561 R CB -0.554 29.756 30.300 0.017 0.000 0.888 561 R HN 0.295 nan 8.270 nan 0.000 0.471 562 L N 2.277 123.481 121.223 -0.032 0.000 2.315 562 L HA 0.152 4.497 4.340 0.009 0.000 0.278 562 L C 0.459 177.147 176.870 -0.303 0.000 1.088 562 L CA 0.012 54.766 54.840 -0.144 0.000 0.899 562 L CB 1.007 43.063 42.059 -0.006 0.000 1.277 562 L HN -0.009 nan 8.230 nan 0.000 0.431 563 Q N 2.544 122.117 119.800 -0.379 0.000 2.242 563 Q HA 0.345 4.690 4.340 0.009 0.000 0.246 563 Q C 0.960 176.580 176.000 -0.633 0.000 0.883 563 Q CA 0.089 55.651 55.803 -0.401 0.000 0.984 563 Q CB 0.761 29.359 28.738 -0.234 0.000 1.096 563 Q HN 0.881 nan 8.270 nan 0.000 0.452 564 G N -0.215 107.826 108.800 -1.264 0.000 2.482 564 G HA2 0.069 4.034 3.960 0.009 0.000 0.214 564 G HA3 0.069 4.034 3.960 0.009 0.000 0.214 564 G C -0.194 173.920 174.900 -1.310 0.000 1.271 564 G CA -0.753 43.302 45.100 -1.741 0.000 0.944 564 G HN 0.707 nan 8.290 nan 0.000 0.568 565 G N -2.390 105.911 108.800 -0.832 0.000 2.349 565 G HA2 0.638 4.603 3.960 0.009 0.000 0.294 565 G HA3 0.638 4.603 3.960 0.009 0.000 0.294 565 G C -1.721 173.051 174.900 -0.213 0.000 1.380 565 G CA -0.288 44.504 45.100 -0.513 0.000 0.811 565 G HN 1.118 nan 8.290 nan 0.000 0.519 566 F N 0.751 120.925 119.950 0.373 0.000 2.361 566 F HA 0.531 5.062 4.527 0.007 0.000 0.364 566 F C 0.823 176.951 175.800 0.547 0.000 1.117 566 F CA -0.678 57.594 58.000 0.454 0.000 1.071 566 F CB 1.937 41.098 39.000 0.268 0.000 1.188 566 F HN 0.224 nan 8.300 nan 0.000 0.464 567 V N 3.495 123.732 119.914 0.539 0.000 2.963 567 V HA -0.056 4.069 4.120 0.009 0.000 0.306 567 V C -0.363 175.903 176.094 0.285 0.000 1.077 567 V CA -0.374 62.029 62.300 0.172 0.000 1.124 567 V CB 1.046 32.972 31.823 0.171 0.000 0.987 567 V HN 0.753 nan 8.190 nan 0.000 0.487 568 W N 6.133 127.505 121.300 0.120 0.000 2.362 568 W HA 0.473 5.138 4.660 0.008 0.000 0.316 568 W C -0.998 175.542 176.519 0.035 0.000 1.024 568 W CA -0.727 56.724 57.345 0.176 0.000 1.270 568 W CB 1.484 31.183 29.460 0.398 0.000 1.273 568 W HN 0.897 nan 8.180 nan 0.000 0.424 569 D N 2.853 122.953 120.400 -0.499 0.000 2.798 569 D HA 0.135 4.780 4.640 0.009 0.000 0.308 569 D C 0.698 176.791 176.300 -0.346 0.000 1.187 569 D CA -0.537 53.044 54.000 -0.699 0.000 1.033 569 D CB 0.284 40.115 40.800 -1.616 0.000 1.445 569 D HN 0.412 nan 8.370 nan 0.000 0.550 570 W N 0.609 121.608 121.300 -0.501 0.000 2.423 570 W HA 0.085 4.750 4.660 0.009 0.000 0.321 570 W C -0.144 176.158 176.519 -0.361 0.000 1.180 570 W CA 1.180 58.286 57.345 -0.398 0.000 1.322 570 W CB 0.117 29.369 29.460 -0.348 0.000 1.174 570 W HN 0.185 nan 8.180 nan 0.000 0.470 571 V N 1.423 121.094 119.914 -0.405 0.000 2.769 571 V HA 0.244 4.369 4.120 0.009 0.000 0.312 571 V C -0.667 175.215 176.094 -0.354 0.000 1.058 571 V CA -1.001 61.023 62.300 -0.460 0.000 0.952 571 V CB 1.267 32.971 31.823 -0.199 0.000 1.019 571 V HN -0.120 nan 8.190 nan 0.000 0.445 572 D N 1.967 122.177 120.400 -0.317 0.000 2.425 572 D HA 0.150 4.795 4.640 0.009 0.000 0.247 572 D C 0.408 176.555 176.300 -0.254 0.000 1.147 572 D CA 0.432 54.299 54.000 -0.221 0.000 0.879 572 D CB 1.064 41.828 40.800 -0.060 0.000 1.179 572 D HN 0.602 nan 8.370 nan 0.000 0.456 573 Q N 1.153 120.732 119.800 -0.369 0.000 2.642 573 Q HA 0.097 4.442 4.340 0.009 0.000 0.319 573 Q C -0.077 175.881 176.000 -0.069 0.000 1.030 573 Q CA -0.287 55.093 55.803 -0.705 0.000 0.943 573 Q CB 0.070 28.475 28.738 -0.555 0.000 1.323 573 Q HN 0.404 nan 8.270 nan 0.000 0.419 574 S N -0.589 115.181 115.700 0.116 0.000 2.610 574 S HA 0.603 5.078 4.470 0.009 0.000 0.273 574 S C -0.126 174.661 174.600 0.312 0.000 1.274 574 S CA -0.728 57.654 58.200 0.304 0.000 1.023 574 S CB 1.425 64.776 63.200 0.252 0.000 0.962 574 S HN 0.299 nan 8.310 nan 0.000 0.523 575 L N 1.391 122.712 121.223 0.162 0.000 2.341 575 L HA 0.569 4.915 4.340 0.009 0.000 0.267 575 L C -0.334 176.439 176.870 -0.162 0.000 1.009 575 L CA -1.060 53.745 54.840 -0.058 0.000 0.819 575 L CB 1.682 43.573 42.059 -0.279 0.000 1.323 575 L HN 0.640 nan 8.230 nan 0.000 0.425 576 I N 2.215 122.634 120.570 -0.251 0.000 2.371 576 I HA 0.221 4.397 4.170 0.009 0.000 0.290 576 I C -0.038 175.704 176.117 -0.626 0.000 1.028 576 I CA -0.165 60.859 61.300 -0.459 0.000 1.345 576 I CB 1.096 38.832 38.000 -0.440 0.000 1.407 576 I HN 0.518 nan 8.210 nan 0.000 0.501 577 K N 5.447 125.191 120.400 -1.092 0.000 2.340 577 K HA 0.558 4.883 4.320 0.009 0.000 0.244 577 K C -1.613 174.227 176.600 -1.268 0.000 0.973 577 K CA -0.730 54.843 56.287 -1.191 0.000 0.828 577 K CB 2.404 33.916 32.500 -1.647 0.000 1.226 577 K HN 0.281 nan 8.250 nan 0.000 0.437 578 Y N 0.652 120.783 120.300 -0.281 0.000 2.446 578 Y HA 0.131 4.686 4.550 0.009 0.000 0.345 578 Y C 0.257 176.314 175.900 0.262 0.000 0.984 578 Y CA -0.992 57.122 58.100 0.023 0.000 1.058 578 Y CB 1.402 39.857 38.460 -0.008 0.000 1.220 578 Y HN 0.691 nan 8.280 nan 0.000 0.455 579 D N 0.169 120.842 120.400 0.455 0.000 2.478 579 D HA 0.017 4.662 4.640 0.009 0.000 0.269 579 D C 1.103 177.505 176.300 0.169 0.000 1.232 579 D CA -0.466 53.699 54.000 0.274 0.000 1.059 579 D CB 0.312 41.190 40.800 0.131 0.000 1.104 579 D HN 0.752 nan 8.370 nan 0.000 0.566 580 E N -0.455 119.801 120.200 0.093 0.000 2.273 580 E HA -0.265 4.090 4.350 0.009 0.000 0.198 580 E C -0.070 176.561 176.600 0.052 0.000 1.002 580 E CA 1.194 57.627 56.400 0.055 0.000 0.828 580 E CB -0.391 29.325 29.700 0.026 0.000 0.747 580 E HN 0.512 nan 8.360 nan 0.000 0.491 581 N N -0.315 118.428 118.700 0.071 0.000 2.351 581 N HA 0.147 4.892 4.740 0.009 0.000 0.254 581 N C 0.535 176.089 175.510 0.073 0.000 1.241 581 N CA 0.294 53.378 53.050 0.058 0.000 0.883 581 N CB 1.261 39.777 38.487 0.047 0.000 1.202 581 N HN 0.244 nan 8.380 nan 0.000 0.512 582 G N 1.421 110.281 108.800 0.099 0.000 2.198 582 G HA2 -0.270 3.695 3.960 0.009 0.000 0.260 582 G HA3 -0.270 3.695 3.960 0.009 0.000 0.260 582 G C -0.493 174.549 174.900 0.236 0.000 1.025 582 G CA -0.150 45.007 45.100 0.096 0.000 0.769 582 G HN 0.352 nan 8.290 nan 0.000 0.507 583 N N 1.150 120.014 118.700 0.274 0.000 2.438 583 N HA 0.543 5.288 4.740 0.009 0.000 0.282 583 N C -2.399 173.298 175.510 0.311 0.000 1.037 583 N CA -1.501 51.706 53.050 0.262 0.000 0.942 583 N CB 2.026 40.617 38.487 0.174 0.000 1.136 583 N HN 0.151 nan 8.380 nan 0.000 0.481 584 P HA 0.434 nan 4.420 nan 0.000 0.282 584 P C -0.652 176.598 177.300 -0.083 0.000 1.259 584 P CA -0.487 62.452 63.100 -0.267 0.000 0.826 584 P CB 0.952 32.426 31.700 -0.376 0.000 1.064 585 W N -1.230 119.819 121.300 -0.419 0.000 3.248 585 W HA 0.366 5.032 4.660 0.009 0.000 0.311 585 W C -1.625 174.706 176.519 -0.313 0.000 1.258 585 W CA -0.921 56.189 57.345 -0.393 0.000 1.191 585 W CB 0.096 29.109 29.460 -0.744 0.000 1.389 585 W HN 0.121 nan 8.180 nan 0.000 0.561 586 S N 1.857 117.542 115.700 -0.026 0.000 2.455 586 S HA 0.560 5.035 4.470 0.009 0.000 0.278 586 S C 0.291 174.960 174.600 0.116 0.000 1.216 586 S CA -0.180 58.018 58.200 -0.002 0.000 1.055 586 S CB 0.820 64.102 63.200 0.136 0.000 0.939 586 S HN 0.646 nan 8.310 nan 0.000 0.494 587 A N 2.942 125.692 122.820 -0.117 0.000 2.294 587 A HA 0.880 5.205 4.320 0.009 0.000 0.330 587 A C -0.562 177.232 177.584 0.350 0.000 1.133 587 A CA -0.687 51.333 52.037 -0.028 0.000 0.836 587 A CB 0.611 19.337 19.000 -0.458 0.000 1.190 587 A HN 0.858 nan 8.150 nan 0.000 0.492 588 Y N -0.879 119.729 120.300 0.514 0.000 3.068 588 Y HA 0.751 5.306 4.550 0.009 0.000 0.302 588 Y C 0.563 176.858 175.900 0.659 0.000 1.610 588 Y CA -1.483 56.944 58.100 0.545 0.000 1.078 588 Y CB -0.096 38.502 38.460 0.229 0.000 1.418 588 Y HN 0.986 nan 8.280 nan 0.000 0.525 589 G N 0.007 109.300 108.800 0.822 0.000 2.287 589 G HA2 0.366 4.331 3.960 0.009 0.000 0.235 589 G HA3 0.366 4.331 3.960 0.009 0.000 0.235 589 G C 1.043 176.333 174.900 0.649 0.000 1.258 589 G CA 0.495 45.979 45.100 0.640 0.000 0.884 589 G HN 2.033 nan 8.290 nan 0.000 0.518 590 G N 2.013 111.141 108.800 0.546 0.000 2.189 590 G HA2 -0.293 3.673 3.960 0.009 0.000 0.267 590 G HA3 -0.293 3.673 3.960 0.009 0.000 0.267 590 G C 0.849 175.983 174.900 0.390 0.000 0.975 590 G CA 0.776 46.129 45.100 0.421 0.000 0.644 590 G HN 0.675 nan 8.290 nan 0.000 0.537 591 D N -0.591 120.072 120.400 0.439 0.000 2.363 591 D HA 0.190 4.835 4.640 0.009 0.000 0.226 591 D C 1.143 177.330 176.300 -0.189 0.000 1.020 591 D CA 0.338 54.420 54.000 0.137 0.000 0.892 591 D CB -0.169 40.654 40.800 0.038 0.000 0.900 591 D HN 0.465 nan 8.370 nan 0.000 0.531 592 F N -0.777 119.310 119.950 0.227 0.000 2.735 592 F HA 0.301 4.834 4.527 0.009 0.000 0.304 592 F C 1.682 177.578 175.800 0.160 0.000 1.119 592 F CA -0.381 57.713 58.000 0.156 0.000 1.280 592 F CB 0.672 39.755 39.000 0.139 0.000 0.994 592 F HN -0.079 nan 8.300 nan 0.000 0.520 593 G N 0.805 109.762 108.800 0.263 0.000 2.166 593 G HA2 -0.310 3.656 3.960 0.009 0.000 0.260 593 G HA3 -0.310 3.656 3.960 0.009 0.000 0.260 593 G C -0.095 174.951 174.900 0.243 0.000 0.986 593 G CA 0.356 45.582 45.100 0.210 0.000 0.683 593 G HN 0.477 nan 8.290 nan 0.000 0.527 594 D N 0.409 121.008 120.400 0.332 0.000 2.417 594 D HA 0.406 5.051 4.640 0.009 0.000 0.250 594 D C -0.038 176.397 176.300 0.225 0.000 1.166 594 D CA 0.523 54.712 54.000 0.316 0.000 0.881 594 D CB 1.151 42.210 40.800 0.432 0.000 1.164 594 D HN 0.053 nan 8.370 nan 0.000 0.467 595 T N 2.689 117.348 114.554 0.175 0.000 2.916 595 T HA 0.484 4.839 4.350 0.009 0.000 0.298 595 T C -2.323 172.425 174.700 0.079 0.000 1.031 595 T CA -0.942 61.227 62.100 0.114 0.000 0.993 595 T CB 1.973 70.904 68.868 0.104 0.000 1.045 595 T HN 0.401 nan 8.240 nan 0.000 0.454 596 P HA 0.522 nan 4.420 nan 0.000 0.281 596 P C -1.120 176.170 177.300 -0.017 0.000 1.281 596 P CA -0.722 62.384 63.100 0.010 0.000 0.811 596 P CB 0.795 32.478 31.700 -0.028 0.000 1.154 597 N N -1.248 117.443 118.700 -0.016 0.000 2.610 597 N HA 0.137 4.882 4.740 0.009 0.000 0.264 597 N C -1.112 174.362 175.510 -0.061 0.000 1.348 597 N CA -0.534 52.480 53.050 -0.061 0.000 0.819 597 N CB 1.478 40.015 38.487 0.082 0.000 1.521 597 N HN 0.193 nan 8.380 nan 0.000 0.497 598 D N 0.328 120.640 120.400 -0.147 0.000 2.427 598 D HA 0.090 4.736 4.640 0.009 0.000 0.224 598 D C 0.712 177.230 176.300 0.363 0.000 1.157 598 D CA -0.149 53.875 54.000 0.040 0.000 0.828 598 D CB 0.751 41.468 40.800 -0.139 0.000 0.974 598 D HN 0.642 nan 8.370 nan 0.000 0.498 599 R N 0.474 121.167 120.500 0.322 0.000 3.772 599 R HA -0.381 3.964 4.340 0.009 0.000 0.480 599 R C 1.074 177.294 176.300 -0.133 0.000 0.241 599 R CA 1.524 57.759 56.100 0.224 0.000 1.508 599 R CB -1.444 28.914 30.300 0.095 0.000 0.956 599 R HN 0.015 nan 8.270 nan 0.000 0.583 600 Q N 0.666 120.052 119.800 -0.691 0.000 2.364 600 Q HA 0.061 4.407 4.340 0.009 0.000 0.209 600 Q C 1.889 177.546 176.000 -0.570 0.000 0.977 600 Q CA 1.989 57.239 55.803 -0.921 0.000 0.885 600 Q CB -0.375 27.738 28.738 -1.043 0.000 0.941 600 Q HN 0.496 nan 8.270 nan 0.000 0.464 601 F N 0.687 120.521 119.950 -0.193 0.000 2.354 601 F HA -0.252 4.280 4.527 0.008 0.000 0.300 601 F C 1.778 177.518 175.800 -0.099 0.000 1.052 601 F CA 1.002 58.980 58.000 -0.037 0.000 1.425 601 F CB -0.409 38.628 39.000 0.062 0.000 1.095 601 F HN 0.367 nan 8.300 nan 0.000 0.560 602 C N -1.566 117.484 119.300 -0.416 0.000 2.697 602 C HA 0.338 4.803 4.460 0.009 0.000 0.267 602 C C 0.817 175.598 174.990 -0.349 0.000 1.278 602 C CA -0.622 57.978 59.018 -0.696 0.000 1.708 602 C CB -1.481 25.222 27.740 -1.728 0.000 1.860 602 C HN 0.195 nan 8.230 nan 0.000 0.589 603 M N 3.133 122.581 119.600 -0.254 0.000 2.027 603 M HA 0.351 4.836 4.480 0.009 0.000 0.329 603 M C -0.553 175.641 176.300 -0.176 0.000 0.971 603 M CA 0.233 55.421 55.300 -0.188 0.000 0.933 603 M CB 0.544 33.062 32.600 -0.137 0.000 1.392 603 M HN 0.276 nan 8.290 nan 0.000 0.394 604 N N 1.254 119.843 118.700 -0.184 0.000 2.232 604 N HA 0.138 4.883 4.740 0.009 0.000 0.240 604 N C 0.375 175.683 175.510 -0.337 0.000 1.307 604 N CA -0.117 52.792 53.050 -0.234 0.000 0.859 604 N CB 1.226 39.646 38.487 -0.113 0.000 1.260 604 N HN 0.672 nan 8.380 nan 0.000 0.501 605 G N 0.295 108.845 108.800 -0.417 0.000 2.572 605 G HA2 0.398 4.363 3.960 0.009 0.000 0.261 605 G HA3 0.398 4.363 3.960 0.009 0.000 0.261 605 G C 0.894 175.305 174.900 -0.815 0.000 1.197 605 G CA -0.428 44.320 45.100 -0.586 0.000 0.870 605 G HN 0.103 nan 8.290 nan 0.000 0.548 606 L N -0.213 120.537 121.223 -0.789 0.000 2.375 606 L HA 0.164 4.509 4.340 0.009 0.000 0.215 606 L C 0.809 177.092 176.870 -0.978 0.000 1.108 606 L CA 0.242 54.637 54.840 -0.743 0.000 0.830 606 L CB 0.067 41.839 42.059 -0.477 0.000 0.959 606 L HN 0.404 nan 8.230 nan 0.000 0.457 607 V N -4.654 114.580 119.914 -1.133 0.000 2.914 607 V HA 0.474 4.599 4.120 0.009 0.000 0.314 607 V C -0.273 175.395 176.094 -0.710 0.000 1.084 607 V CA -1.203 60.583 62.300 -0.857 0.000 0.963 607 V CB 1.587 32.920 31.823 -0.817 0.000 1.025 607 V HN -0.125 nan 8.190 nan 0.000 0.432 608 F N 1.800 121.645 119.950 -0.175 0.000 2.440 608 F HA 0.538 5.070 4.527 0.009 0.000 0.323 608 F C 1.957 177.683 175.800 -0.123 0.000 1.192 608 F CA 0.590 58.579 58.000 -0.018 0.000 1.252 608 F CB 0.984 40.002 39.000 0.030 0.000 1.214 608 F HN 0.789 nan 8.300 nan 0.000 0.578 609 A N 0.816 123.729 122.820 0.155 0.000 2.032 609 A HA -0.264 4.061 4.320 0.009 0.000 0.221 609 A C 1.569 179.135 177.584 -0.031 0.000 1.165 609 A CA 2.038 54.110 52.037 0.058 0.000 0.645 609 A CB -1.137 17.933 19.000 0.117 0.000 0.807 609 A HN 0.841 nan 8.150 nan 0.000 0.453 610 D N -3.141 117.264 120.400 0.007 0.000 2.349 610 D HA 0.147 4.792 4.640 0.009 0.000 0.224 610 D C 0.659 176.952 176.300 -0.013 0.000 1.029 610 D CA 0.143 54.119 54.000 -0.040 0.000 0.879 610 D CB -0.070 40.706 40.800 -0.040 0.000 0.906 610 D HN 0.211 nan 8.370 nan 0.000 0.528 611 R N -1.180 119.315 120.500 -0.007 0.000 3.854 611 R HA -0.120 4.225 4.340 0.009 0.000 0.352 611 R C -0.430 175.883 176.300 0.021 0.000 1.156 611 R CA 1.093 57.180 56.100 -0.022 0.000 0.917 611 R CB -3.324 26.995 30.300 0.031 0.000 1.471 611 R HN 0.563 nan 8.270 nan 0.000 0.521 612 T N -1.855 112.762 114.554 0.106 0.000 2.837 612 T HA 0.716 5.071 4.350 0.009 0.000 0.285 612 T C -2.383 172.482 174.700 0.275 0.000 0.984 612 T CA -2.179 60.016 62.100 0.158 0.000 1.049 612 T CB 2.314 71.248 68.868 0.110 0.000 0.947 612 T HN -0.162 nan 8.240 nan 0.000 0.472 613 P HA 0.208 nan 4.420 nan 0.000 0.275 613 P C -0.252 177.140 177.300 0.154 0.000 1.228 613 P CA -0.321 62.809 63.100 0.049 0.000 0.786 613 P CB 0.323 32.041 31.700 0.031 0.000 0.927 614 H N 2.733 121.645 119.070 -0.263 0.000 2.505 614 H HA 0.131 4.693 4.556 0.009 0.000 0.355 614 H C -1.198 174.049 175.328 -0.135 0.000 1.179 614 H CA -1.939 53.942 56.048 -0.279 0.000 1.343 614 H CB 0.663 30.216 29.762 -0.349 0.000 1.501 614 H HN 0.313 nan 8.280 nan 0.000 0.569 615 P HA -0.162 nan 4.420 nan 0.000 0.218 615 P C 1.272 178.576 177.300 0.007 0.000 1.148 615 P CA 1.309 64.409 63.100 -0.001 0.000 0.822 615 P CB -0.031 31.659 31.700 -0.017 0.000 0.784 616 A N 0.139 122.967 122.820 0.013 0.000 1.958 616 A HA -0.229 4.096 4.320 0.009 0.000 0.221 616 A C 2.135 179.664 177.584 -0.092 0.000 1.178 616 A CA 1.710 53.714 52.037 -0.056 0.000 0.642 616 A CB -1.746 17.200 19.000 -0.091 0.000 0.816 616 A HN 0.178 nan 8.150 nan 0.000 0.453 617 L N -0.159 121.029 121.223 -0.059 0.000 2.103 617 L HA -0.206 4.139 4.340 0.009 0.000 0.215 617 L C 2.442 179.333 176.870 0.036 0.000 1.080 617 L CA 2.807 57.641 54.840 -0.010 0.000 0.764 617 L CB -0.986 41.075 42.059 0.002 0.000 0.890 617 L HN 0.419 nan 8.230 nan 0.000 0.435 618 T N -1.285 113.299 114.554 0.050 0.000 2.770 618 T HA -0.177 4.178 4.350 0.009 0.000 0.263 618 T C 1.704 176.474 174.700 0.117 0.000 1.039 618 T CA 1.281 63.459 62.100 0.131 0.000 1.142 618 T CB -0.153 68.790 68.868 0.126 0.000 0.868 618 T HN 0.367 nan 8.240 nan 0.000 0.435 619 E N 1.487 121.709 120.200 0.036 0.000 2.097 619 E HA -0.135 4.220 4.350 0.009 0.000 0.196 619 E C 2.135 178.695 176.600 -0.066 0.000 1.000 619 E CA 1.454 57.870 56.400 0.028 0.000 0.804 619 E CB -0.500 29.194 29.700 -0.009 0.000 0.740 619 E HN 0.452 nan 8.360 nan 0.000 0.454 620 A N 0.939 123.603 122.820 -0.259 0.000 1.835 620 A HA -0.262 4.063 4.320 0.009 0.000 0.215 620 A C 2.173 179.601 177.584 -0.260 0.000 1.199 620 A CA 2.284 54.108 52.037 -0.354 0.000 0.615 620 A CB -0.871 17.940 19.000 -0.316 0.000 0.838 620 A HN 0.306 nan 8.150 nan 0.000 0.444 621 K N -0.938 119.374 120.400 -0.147 0.000 2.077 621 K HA -0.306 4.019 4.320 0.009 0.000 0.213 621 K C 2.062 178.543 176.600 -0.198 0.000 1.051 621 K CA 2.317 58.544 56.287 -0.099 0.000 0.929 621 K CB -0.489 32.097 32.500 0.144 0.000 0.715 621 K HN 0.785 nan 8.250 nan 0.000 0.451 622 H N -0.954 117.916 119.070 -0.333 0.000 2.363 622 H HA -0.038 4.523 4.556 0.009 0.000 0.301 622 H C 1.794 176.833 175.328 -0.482 0.000 1.074 622 H CA 1.119 56.797 56.048 -0.617 0.000 1.354 622 H CB 0.323 29.712 29.762 -0.622 0.000 1.397 622 H HN 0.310 nan 8.280 nan 0.000 0.516 623 Q N 0.625 120.113 119.800 -0.519 0.000 2.167 623 Q HA -0.116 4.229 4.340 0.009 0.000 0.202 623 Q C 1.905 177.352 176.000 -0.922 0.000 0.970 623 Q CA 1.151 56.577 55.803 -0.628 0.000 0.855 623 Q CB -0.102 28.427 28.738 -0.348 0.000 0.911 623 Q HN 0.710 nan 8.270 nan 0.000 0.438 624 Q N 1.014 120.226 119.800 -0.980 0.000 2.403 624 Q HA 0.009 4.354 4.340 0.009 0.000 0.203 624 Q C 0.421 175.835 176.000 -0.976 0.000 0.932 624 Q CA -0.227 54.864 55.803 -1.188 0.000 0.945 624 Q CB 0.072 28.166 28.738 -1.073 0.000 1.045 624 Q HN 0.432 nan 8.270 nan 0.000 0.511 625 Q N -0.188 119.191 119.800 -0.703 0.000 2.386 625 Q HA -0.059 4.286 4.340 0.009 0.000 0.282 625 Q C -0.367 175.252 176.000 -0.635 0.000 1.050 625 Q CA 0.315 55.813 55.803 -0.510 0.000 0.918 625 Q CB 0.406 29.002 28.738 -0.237 0.000 1.266 625 Q HN 0.183 nan 8.270 nan 0.000 0.423 626 F N 0.709 120.417 119.950 -0.404 0.000 2.789 626 F HA 0.270 4.802 4.527 0.008 0.000 0.300 626 F C -0.122 175.141 175.800 -0.894 0.000 1.132 626 F CA -0.011 57.528 58.000 -0.768 0.000 1.404 626 F CB 0.341 38.528 39.000 -1.354 0.000 1.114 626 F HN 0.339 nan 8.300 nan 0.000 0.584 627 F N 0.191 120.100 119.950 -0.068 0.000 2.520 627 F HA 0.497 5.029 4.527 0.009 0.000 0.322 627 F C -0.087 175.432 175.800 -0.469 0.000 1.103 627 F CA -1.052 56.814 58.000 -0.223 0.000 0.926 627 F CB 1.319 40.223 39.000 -0.161 0.000 1.154 627 F HN -0.327 nan 8.300 nan 0.000 0.453 628 Q N 3.126 122.674 119.800 -0.419 0.000 2.365 628 Q HA 0.525 4.870 4.340 0.009 0.000 0.269 628 Q C -1.462 174.160 176.000 -0.630 0.000 1.061 628 Q CA -0.664 54.877 55.803 -0.437 0.000 0.816 628 Q CB 3.157 31.797 28.738 -0.163 0.000 1.325 628 Q HN 0.546 nan 8.270 nan 0.000 0.446 629 F N 0.520 120.591 119.950 0.202 0.000 2.546 629 F HA 0.626 5.159 4.527 0.009 0.000 0.320 629 F C 0.360 176.387 175.800 0.378 0.000 1.076 629 F CA -0.843 57.349 58.000 0.319 0.000 0.928 629 F CB 1.958 41.254 39.000 0.493 0.000 1.189 629 F HN 0.135 nan 8.300 nan 0.000 0.465 630 R N 1.729 122.563 120.500 0.556 0.000 2.604 630 R HA 0.590 4.935 4.340 0.009 0.000 0.281 630 R C -2.030 174.358 176.300 0.148 0.000 1.020 630 R CA -1.127 55.206 56.100 0.387 0.000 0.899 630 R CB 2.850 33.271 30.300 0.202 0.000 1.205 630 R HN 0.553 nan 8.270 nan 0.000 0.450 631 L N 1.346 122.525 121.223 -0.072 0.000 2.305 631 L HA 0.484 4.829 4.340 0.009 0.000 0.284 631 L C -0.806 175.910 176.870 -0.256 0.000 1.013 631 L CA 0.170 54.724 54.840 -0.477 0.000 0.819 631 L CB 1.929 43.193 42.059 -1.325 0.000 1.227 631 L HN 0.534 nan 8.230 nan 0.000 0.417 632 S N 4.072 119.647 115.700 -0.208 0.000 2.745 632 S HA 0.677 5.152 4.470 0.009 0.000 0.283 632 S C 0.455 174.967 174.600 -0.147 0.000 1.170 632 S CA 0.218 58.337 58.200 -0.134 0.000 1.119 632 S CB 0.085 63.240 63.200 -0.076 0.000 1.035 632 S HN 1.428 nan 8.310 nan 0.000 0.483 633 G N 4.680 113.390 108.800 -0.151 0.000 2.675 633 G HA2 -0.342 3.623 3.960 0.009 0.000 0.312 633 G HA3 -0.342 3.623 3.960 0.009 0.000 0.312 633 G C 0.331 175.119 174.900 -0.186 0.000 1.186 633 G CA 0.830 45.846 45.100 -0.142 0.000 0.965 633 G HN 1.122 nan 8.290 nan 0.000 0.548 634 Q N -0.648 119.047 119.800 -0.176 0.000 2.110 634 Q HA 0.549 4.894 4.340 0.009 0.000 0.232 634 Q C -0.247 175.617 176.000 -0.227 0.000 0.810 634 Q CA 0.420 56.092 55.803 -0.218 0.000 1.083 634 Q CB 0.651 29.273 28.738 -0.194 0.000 1.193 634 Q HN 0.439 nan 8.270 nan 0.000 0.471 635 T N 1.574 116.010 114.554 -0.197 0.000 2.779 635 T HA 0.541 4.896 4.350 0.009 0.000 0.280 635 T C -0.463 174.135 174.700 -0.170 0.000 0.987 635 T CA -0.387 61.619 62.100 -0.158 0.000 0.966 635 T CB 1.002 69.808 68.868 -0.103 0.000 0.933 635 T HN 0.242 nan 8.240 nan 0.000 0.442 636 I N 2.752 123.242 120.570 -0.134 0.000 2.354 636 I HA 0.328 4.504 4.170 0.009 0.000 0.292 636 I C 0.475 176.616 176.117 0.041 0.000 0.989 636 I CA -0.644 60.615 61.300 -0.068 0.000 1.188 636 I CB 1.485 39.468 38.000 -0.029 0.000 1.342 636 I HN 0.536 nan 8.210 nan 0.000 0.457 637 E N 6.249 126.500 120.200 0.085 0.000 2.134 637 E HA 0.428 4.784 4.350 0.009 0.000 0.278 637 E C -1.457 175.229 176.600 0.144 0.000 0.959 637 E CA -0.575 55.881 56.400 0.094 0.000 0.783 637 E CB 1.557 31.297 29.700 0.067 0.000 1.095 637 E HN 0.331 nan 8.360 nan 0.000 0.399 638 V N 4.038 124.009 119.914 0.096 0.000 2.435 638 V HA 0.313 4.438 4.120 0.009 0.000 0.290 638 V C 0.010 176.103 176.094 -0.001 0.000 1.030 638 V CA -0.537 61.772 62.300 0.014 0.000 0.881 638 V CB 1.848 33.705 31.823 0.056 0.000 0.983 638 V HN 0.704 nan 8.190 nan 0.000 0.445 639 T N 3.297 117.814 114.554 -0.062 0.000 2.807 639 T HA 0.348 4.703 4.350 0.009 0.000 0.279 639 T C -0.133 174.584 174.700 0.027 0.000 0.993 639 T CA -0.217 61.877 62.100 -0.011 0.000 0.970 639 T CB 1.484 70.328 68.868 -0.039 0.000 0.950 639 T HN 0.713 nan 8.240 nan 0.000 0.441 640 S N 2.168 117.902 115.700 0.057 0.000 2.499 640 S HA 0.248 4.723 4.470 0.009 0.000 0.279 640 S C 0.781 175.310 174.600 -0.117 0.000 1.219 640 S CA -0.566 57.638 58.200 0.006 0.000 1.062 640 S CB 0.695 63.975 63.200 0.134 0.000 0.978 640 S HN 0.726 nan 8.310 nan 0.000 0.489 641 E N 2.968 123.008 120.200 -0.268 0.000 2.463 641 E HA 0.090 4.446 4.350 0.009 0.000 0.193 641 E C -0.732 175.717 176.600 -0.250 0.000 1.041 641 E CA -0.075 56.189 56.400 -0.227 0.000 0.879 641 E CB 0.248 29.808 29.700 -0.234 0.000 0.997 641 E HN 0.693 nan 8.360 nan 0.000 0.478 642 Y N 0.251 120.440 120.300 -0.186 0.000 2.397 642 Y HA 0.016 4.571 4.550 0.009 0.000 0.335 642 Y C 1.360 177.098 175.900 -0.270 0.000 1.213 642 Y CA 0.105 58.059 58.100 -0.242 0.000 1.391 642 Y CB 0.778 39.080 38.460 -0.264 0.000 1.293 642 Y HN -0.047 nan 8.280 nan 0.000 0.557 643 L N 1.074 122.130 121.223 -0.279 0.000 2.470 643 L HA 0.078 4.423 4.340 0.009 0.000 0.219 643 L C 0.725 177.154 176.870 -0.736 0.000 1.071 643 L CA 0.546 55.003 54.840 -0.639 0.000 0.850 643 L CB 0.075 41.409 42.059 -1.209 0.000 1.040 643 L HN 0.647 nan 8.230 nan 0.000 0.475 644 F N -0.329 119.641 119.950 0.035 0.000 2.619 644 F HA 0.194 4.726 4.527 0.007 0.000 0.281 644 F C 1.346 177.138 175.800 -0.013 0.000 1.065 644 F CA -0.800 57.194 58.000 -0.010 0.000 1.304 644 F CB 0.312 39.282 39.000 -0.050 0.000 1.059 644 F HN -0.119 nan 8.300 nan 0.000 0.648 645 R N 0.083 120.637 120.500 0.089 0.000 2.573 645 R HA 0.457 4.802 4.340 0.009 0.000 0.272 645 R C -1.088 175.201 176.300 -0.017 0.000 1.009 645 R CA -0.606 55.485 56.100 -0.014 0.000 1.059 645 R CB 0.701 30.900 30.300 -0.168 0.000 1.112 645 R HN 0.071 nan 8.270 nan 0.000 0.517 646 H N 0.257 119.291 119.070 -0.060 0.000 2.472 646 H HA 0.205 4.766 4.556 0.008 0.000 0.335 646 H C -0.385 174.943 175.328 0.000 0.000 1.136 646 H CA -0.374 55.674 56.048 0.000 0.000 1.264 646 H CB 1.318 31.091 29.762 0.018 0.000 1.486 646 H HN 0.776 nan 8.280 nan 0.000 0.517 647 S N 2.996 118.605 115.700 -0.151 0.000 3.232 647 S HA -0.044 4.431 4.470 0.009 0.000 0.298 647 S C -0.138 174.552 174.600 0.150 0.000 1.159 647 S CA -0.022 58.227 58.200 0.081 0.000 1.240 647 S CB -0.768 62.467 63.200 0.058 0.000 1.584 647 S HN 0.720 nan 8.310 nan 0.000 0.558 648 D N 0.201 120.680 120.400 0.132 0.000 2.501 648 D HA 0.150 4.796 4.640 0.009 0.000 0.226 648 D C 0.104 176.450 176.300 0.076 0.000 1.198 648 D CA -0.557 53.521 54.000 0.130 0.000 0.830 648 D CB -0.151 40.722 40.800 0.121 0.000 1.014 648 D HN 0.460 nan 8.370 nan 0.000 0.496 649 N N 0.181 118.929 118.700 0.079 0.000 2.635 649 N HA 0.156 4.901 4.740 0.009 0.000 0.252 649 N C -1.695 173.870 175.510 0.092 0.000 1.589 649 N CA -0.116 52.973 53.050 0.065 0.000 0.828 649 N CB 0.339 38.850 38.487 0.040 0.000 1.403 649 N HN 0.008 nan 8.380 nan 0.000 0.518 650 E N 0.139 120.386 120.200 0.080 0.000 2.291 650 E HA 0.494 4.849 4.350 0.009 0.000 0.276 650 E C -1.827 174.799 176.600 0.044 0.000 0.896 650 E CA -0.558 55.882 56.400 0.066 0.000 0.774 650 E CB 1.974 31.683 29.700 0.016 0.000 1.227 650 E HN 0.159 nan 8.360 nan 0.000 0.413 651 L N 3.033 124.292 121.223 0.060 0.000 2.381 651 L HA 0.584 4.929 4.340 0.009 0.000 0.268 651 L C -1.740 175.191 176.870 0.101 0.000 0.997 651 L CA -0.983 53.902 54.840 0.075 0.000 0.818 651 L CB 1.801 43.911 42.059 0.085 0.000 1.310 651 L HN 0.557 nan 8.230 nan 0.000 0.416 652 L N 4.326 125.623 121.223 0.123 0.000 2.272 652 L HA 0.432 4.777 4.340 0.009 0.000 0.289 652 L C -0.785 176.220 176.870 0.225 0.000 1.032 652 L CA 0.068 55.013 54.840 0.175 0.000 0.810 652 L CB 0.678 42.847 42.059 0.182 0.000 1.205 652 L HN 0.625 nan 8.230 nan 0.000 0.422 653 H N 6.391 125.535 119.070 0.123 0.000 2.489 653 H HA 0.317 4.878 4.556 0.008 0.000 0.322 653 H C -1.422 174.008 175.328 0.170 0.000 1.091 653 H CA -0.542 55.546 56.048 0.067 0.000 1.291 653 H CB 0.772 30.532 29.762 -0.003 0.000 1.436 653 H HN 0.807 nan 8.280 nan 0.000 0.480 654 W N 5.356 126.346 121.300 -0.518 0.000 2.850 654 W HA 0.578 5.243 4.660 0.009 0.000 0.349 654 W C -1.674 174.618 176.519 -0.378 0.000 1.133 654 W CA -1.413 55.756 57.345 -0.294 0.000 1.117 654 W CB 1.638 31.026 29.460 -0.120 0.000 1.442 654 W HN 0.598 nan 8.180 nan 0.000 0.575 655 M N 2.005 121.861 119.600 0.427 0.000 2.523 655 M HA 0.493 4.978 4.480 0.009 0.000 0.287 655 M C -2.590 173.931 176.300 0.368 0.000 1.160 655 M CA -0.403 55.026 55.300 0.216 0.000 0.902 655 M CB 1.995 34.613 32.600 0.030 0.000 1.752 655 M HN 0.208 nan 8.290 nan 0.000 0.504 656 V N 2.837 122.943 119.914 0.320 0.000 2.628 656 V HA 1.050 5.175 4.120 0.009 0.000 0.306 656 V C -0.439 175.769 176.094 0.191 0.000 1.045 656 V CA -0.072 62.394 62.300 0.277 0.000 0.905 656 V CB 1.499 33.490 31.823 0.279 0.000 0.997 656 V HN 1.059 nan 8.190 nan 0.000 0.436 657 A N 3.790 126.736 122.820 0.210 0.000 2.589 657 A HA 0.828 5.154 4.320 0.009 0.000 0.296 657 A C -1.820 175.898 177.584 0.223 0.000 1.062 657 A CA -0.520 51.615 52.037 0.163 0.000 0.686 657 A CB 1.698 20.757 19.000 0.099 0.000 1.282 657 A HN 0.865 nan 8.150 nan 0.000 0.404 658 L N 1.578 122.897 121.223 0.160 0.000 2.276 658 L HA 0.577 4.922 4.340 0.009 0.000 0.286 658 L C -0.624 176.350 176.870 0.173 0.000 1.024 658 L CA 0.252 55.200 54.840 0.180 0.000 0.826 658 L CB 0.542 42.669 42.059 0.113 0.000 1.211 658 L HN 0.740 nan 8.230 nan 0.000 0.422 659 D N 4.913 125.484 120.400 0.284 0.000 2.755 659 D HA -0.198 4.448 4.640 0.009 0.000 0.227 659 D C 1.189 177.512 176.300 0.038 0.000 1.211 659 D CA 1.541 55.683 54.000 0.237 0.000 0.663 659 D CB -1.045 39.876 40.800 0.200 0.000 0.983 659 D HN 1.149 nan 8.370 nan 0.000 0.407 660 G N -0.774 108.005 108.800 -0.036 0.000 2.225 660 G HA2 -0.372 3.593 3.960 0.009 0.000 0.254 660 G HA3 -0.372 3.593 3.960 0.009 0.000 0.254 660 G C 0.122 174.943 174.900 -0.131 0.000 0.988 660 G CA 0.543 45.523 45.100 -0.201 0.000 0.625 660 G HN 0.567 nan 8.290 nan 0.000 0.527 661 K N 1.607 121.983 120.400 -0.039 0.000 2.240 661 K HA 0.609 4.934 4.320 0.009 0.000 0.271 661 K C -2.898 173.704 176.600 0.005 0.000 1.018 661 K CA -2.230 54.041 56.287 -0.027 0.000 0.874 661 K CB 2.188 34.681 32.500 -0.011 0.000 1.098 661 K HN 0.033 nan 8.250 nan 0.000 0.458 662 P HA 0.101 nan 4.420 nan 0.000 0.276 662 P C -0.244 177.066 177.300 0.017 0.000 1.243 662 P CA -0.206 62.895 63.100 0.002 0.000 0.768 662 P CB 0.713 32.397 31.700 -0.027 0.000 0.856 663 L N 1.362 122.612 121.223 0.045 0.000 2.749 663 L HA 0.558 4.904 4.340 0.009 0.000 0.242 663 L C 0.771 177.676 176.870 0.057 0.000 1.103 663 L CA 0.094 54.965 54.840 0.052 0.000 0.906 663 L CB 0.325 42.429 42.059 0.076 0.000 1.228 663 L HN 0.355 nan 8.230 nan 0.000 0.517 664 A N -0.192 122.660 122.820 0.054 0.000 2.590 664 A HA 0.727 5.053 4.320 0.009 0.000 0.294 664 A C -1.073 176.370 177.584 -0.235 0.000 1.046 664 A CA -0.353 51.696 52.037 0.020 0.000 0.684 664 A CB 1.353 20.504 19.000 0.253 0.000 1.279 664 A HN -0.027 nan 8.150 nan 0.000 0.415 665 S N -0.460 114.846 115.700 -0.657 0.000 2.537 665 S HA 0.924 5.399 4.470 0.009 0.000 0.270 665 S C -0.097 173.554 174.600 -1.581 0.000 1.142 665 S CA -0.235 57.237 58.200 -1.213 0.000 0.870 665 S CB 1.821 64.709 63.200 -0.520 0.000 1.112 665 S HN 2.091 nan 8.310 nan 0.000 0.466 666 G N 0.233 107.661 108.800 -2.286 0.000 2.766 666 G HA2 0.770 4.735 3.960 0.009 0.000 0.288 666 G HA3 0.770 4.735 3.960 0.009 0.000 0.288 666 G C -2.013 172.424 174.900 -0.772 0.000 1.408 666 G CA -0.763 43.522 45.100 -1.358 0.000 0.852 666 G HN 0.612 nan 8.290 nan 0.000 0.487 667 E N -0.999 119.115 120.200 -0.142 0.000 2.321 667 E HA 0.498 4.853 4.350 0.009 0.000 0.281 667 E C -1.695 174.993 176.600 0.147 0.000 0.910 667 E CA -0.615 55.821 56.400 0.060 0.000 0.770 667 E CB 2.963 32.708 29.700 0.075 0.000 1.225 667 E HN 0.308 nan 8.360 nan 0.000 0.417 668 V N 2.830 122.846 119.914 0.170 0.000 2.711 668 V HA 0.348 4.473 4.120 0.009 0.000 0.304 668 V C -2.544 173.618 176.094 0.113 0.000 1.097 668 V CA -1.893 60.495 62.300 0.148 0.000 0.906 668 V CB 2.103 34.030 31.823 0.174 0.000 1.015 668 V HN 0.529 nan 8.190 nan 0.000 0.427 669 P HA 0.284 nan 4.420 nan 0.000 0.271 669 P C -0.724 176.615 177.300 0.065 0.000 1.220 669 P CA -0.007 63.137 63.100 0.073 0.000 0.768 669 P CB 0.729 32.471 31.700 0.069 0.000 0.848 670 L N 3.240 124.488 121.223 0.041 0.000 2.292 670 L HA 0.306 4.651 4.340 0.009 0.000 0.284 670 L C 0.540 177.442 176.870 0.053 0.000 1.065 670 L CA 0.084 54.932 54.840 0.014 0.000 0.806 670 L CB 0.561 42.568 42.059 -0.087 0.000 1.175 670 L HN 0.283 nan 8.230 nan 0.000 0.431 671 D N 2.957 123.400 120.400 0.071 0.000 2.412 671 D HA 0.386 5.031 4.640 0.009 0.000 0.276 671 D C -1.155 175.159 176.300 0.024 0.000 1.196 671 D CA -0.108 53.989 54.000 0.162 0.000 0.905 671 D CB 0.888 41.818 40.800 0.217 0.000 1.081 671 D HN 0.102 nan 8.370 nan 0.000 0.502 672 V N 0.623 120.400 119.914 -0.229 0.000 2.588 672 V HA 0.907 5.032 4.120 0.009 0.000 0.304 672 V C 0.549 176.344 176.094 -0.499 0.000 1.042 672 V CA -1.349 60.836 62.300 -0.192 0.000 0.877 672 V CB 1.340 33.166 31.823 0.004 0.000 0.996 672 V HN 0.405 nan 8.190 nan 0.000 0.425 673 A N 5.486 128.170 122.820 -0.227 0.000 2.271 673 A HA 0.867 5.192 4.320 0.009 0.000 0.288 673 A C -2.422 175.154 177.584 -0.013 0.000 1.094 673 A CA -1.861 50.118 52.037 -0.095 0.000 0.828 673 A CB 0.086 19.175 19.000 0.148 0.000 1.091 673 A HN 0.723 nan 8.150 nan 0.000 0.493 674 P HA -0.021 nan 4.420 nan 0.000 0.263 674 P C -0.534 176.762 177.300 -0.006 0.000 1.175 674 P CA 0.713 63.825 63.100 0.021 0.000 0.761 674 P CB 0.300 31.995 31.700 -0.008 0.000 0.794 675 Q N -1.316 118.468 119.800 -0.027 0.000 2.406 675 Q HA -0.182 4.163 4.340 0.009 0.000 0.236 675 Q C 0.673 176.669 176.000 -0.006 0.000 0.799 675 Q CA 1.555 57.339 55.803 -0.032 0.000 1.286 675 Q CB -2.536 26.176 28.738 -0.043 0.000 1.615 675 Q HN 0.763 nan 8.270 nan 0.000 0.621 676 G N 0.237 109.044 108.800 0.011 0.000 2.521 676 G HA2 0.605 4.570 3.960 0.009 0.000 0.323 676 G HA3 0.605 4.570 3.960 0.009 0.000 0.323 676 G C -0.562 174.356 174.900 0.029 0.000 1.211 676 G CA -0.695 44.418 45.100 0.021 0.000 0.979 676 G HN -0.016 nan 8.290 nan 0.000 0.490 677 K N -0.467 119.951 120.400 0.030 0.000 2.267 677 K HA 0.502 4.828 4.320 0.009 0.000 0.246 677 K C -0.770 175.854 176.600 0.039 0.000 0.954 677 K CA -0.575 55.731 56.287 0.033 0.000 0.824 677 K CB 2.401 34.916 32.500 0.026 0.000 1.167 677 K HN 0.531 nan 8.250 nan 0.000 0.431 678 Q N 2.866 122.692 119.800 0.043 0.000 2.305 678 Q HA 0.385 4.730 4.340 0.009 0.000 0.271 678 Q C -1.656 174.371 176.000 0.046 0.000 1.046 678 Q CA -0.643 55.188 55.803 0.046 0.000 0.798 678 Q CB 1.412 30.178 28.738 0.047 0.000 1.286 678 Q HN 0.521 nan 8.270 nan 0.000 0.435 679 L N 5.135 126.379 121.223 0.035 0.000 2.295 679 L HA 0.584 4.929 4.340 0.009 0.000 0.285 679 L C -0.625 176.254 176.870 0.016 0.000 1.035 679 L CA -0.774 54.079 54.840 0.023 0.000 0.806 679 L CB 1.391 43.456 42.059 0.010 0.000 1.214 679 L HN 0.652 nan 8.230 nan 0.000 0.426 680 I N 3.172 123.742 120.570 0.000 0.000 2.468 680 I HA 0.278 4.454 4.170 0.009 0.000 0.285 680 I C -0.368 175.700 176.117 -0.082 0.000 1.039 680 I CA -0.398 60.889 61.300 -0.022 0.000 1.074 680 I CB 2.223 40.224 38.000 0.001 0.000 1.228 680 I HN 0.584 nan 8.210 nan 0.000 0.436 681 E N 6.529 126.681 120.200 -0.080 0.000 2.175 681 E HA 0.514 4.869 4.350 0.009 0.000 0.278 681 E C -1.054 175.450 176.600 -0.160 0.000 0.969 681 E CA -0.712 55.618 56.400 -0.117 0.000 0.796 681 E CB 1.804 31.456 29.700 -0.081 0.000 1.104 681 E HN 0.488 nan 8.360 nan 0.000 0.395 682 L N 5.345 126.418 121.223 -0.249 0.000 2.399 682 L HA 0.356 4.701 4.340 0.009 0.000 0.266 682 L C -1.972 174.765 176.870 -0.222 0.000 1.114 682 L CA -1.938 52.683 54.840 -0.365 0.000 0.804 682 L CB 0.625 42.348 42.059 -0.561 0.000 1.146 682 L HN 0.411 nan 8.230 nan 0.000 0.451 683 P HA -0.017 nan 4.420 nan 0.000 0.271 683 P C -0.775 176.480 177.300 -0.075 0.000 1.244 683 P CA -0.423 62.645 63.100 -0.054 0.000 0.793 683 P CB 0.358 32.099 31.700 0.068 0.000 0.984 684 E N 0.870 121.052 120.200 -0.030 0.000 2.415 684 E HA 0.045 4.400 4.350 0.009 0.000 0.263 684 E C -0.800 175.791 176.600 -0.015 0.000 0.995 684 E CA -0.106 56.274 56.400 -0.032 0.000 0.915 684 E CB -0.019 29.672 29.700 -0.015 0.000 0.951 684 E HN 0.269 nan 8.360 nan 0.000 0.449 685 L N 7.304 128.505 121.223 -0.037 0.000 2.292 685 L HA 0.370 4.715 4.340 0.009 0.000 0.284 685 L C -1.742 175.135 176.870 0.012 0.000 1.065 685 L CA -2.047 52.788 54.840 -0.009 0.000 0.806 685 L CB 0.863 42.894 42.059 -0.047 0.000 1.175 685 L HN 0.561 nan 8.230 nan 0.000 0.431 686 P HA 0.088 nan 4.420 nan 0.000 0.270 686 P C -1.525 175.792 177.300 0.027 0.000 1.227 686 P CA -0.336 62.787 63.100 0.038 0.000 0.788 686 P CB 0.537 32.272 31.700 0.058 0.000 0.926 687 Q N -0.511 119.301 119.800 0.022 0.000 2.364 687 Q HA 0.599 4.944 4.340 0.009 0.000 0.251 687 Q C -2.864 173.147 176.000 0.017 0.000 0.927 687 Q CA -1.317 54.495 55.803 0.016 0.000 0.924 687 Q CB 0.430 29.169 28.738 0.002 0.000 1.419 687 Q HN 0.253 nan 8.270 nan 0.000 0.427 688 P HA 0.439 nan 4.420 nan 0.000 0.285 688 P C -0.215 177.096 177.300 0.018 0.000 1.285 688 P CA -0.625 62.488 63.100 0.022 0.000 0.854 688 P CB 1.389 33.106 31.700 0.029 0.000 1.180 689 E N -0.296 119.915 120.200 0.018 0.000 2.076 689 E HA 0.004 4.359 4.350 0.009 0.000 0.190 689 E C 0.350 176.962 176.600 0.020 0.000 0.979 689 E CA 0.627 57.036 56.400 0.016 0.000 0.807 689 E CB -0.609 29.100 29.700 0.015 0.000 0.761 689 E HN 0.497 nan 8.360 nan 0.000 0.454 690 S N 1.681 117.396 115.700 0.025 0.000 2.558 690 S HA 0.109 4.584 4.470 0.009 0.000 0.297 690 S C 0.436 175.057 174.600 0.035 0.000 1.283 690 S CA 0.138 58.356 58.200 0.031 0.000 1.044 690 S CB 0.444 63.664 63.200 0.034 0.000 0.789 690 S HN 0.328 nan 8.310 nan 0.000 0.500 691 A N 2.031 124.874 122.820 0.040 0.000 2.296 691 A HA 0.783 5.108 4.320 0.009 0.000 0.264 691 A C 1.006 178.626 177.584 0.060 0.000 1.097 691 A CA 0.188 52.252 52.037 0.044 0.000 0.811 691 A CB -0.330 18.698 19.000 0.047 0.000 1.072 691 A HN 2.213 nan 8.150 nan 0.000 0.495 692 G N -0.803 108.036 108.800 0.065 0.000 2.371 692 G HA2 0.225 4.190 3.960 0.009 0.000 0.663 692 G HA3 0.225 4.190 3.960 0.009 0.000 0.663 692 G C -1.005 173.942 174.900 0.078 0.000 1.311 692 G CA -0.599 44.559 45.100 0.096 0.000 0.985 692 G HN 0.908 nan 8.290 nan 0.000 0.566 693 Q N -0.910 118.967 119.800 0.128 0.000 2.256 693 Q HA 0.655 5.000 4.340 0.009 0.000 0.257 693 Q C -0.506 175.575 176.000 0.135 0.000 0.936 693 Q CA -0.754 55.080 55.803 0.052 0.000 0.903 693 Q CB 2.116 30.879 28.738 0.040 0.000 1.263 693 Q HN 0.560 nan 8.270 nan 0.000 0.440 694 L N 3.405 124.594 121.223 -0.057 0.000 2.272 694 L HA 0.492 4.837 4.340 0.009 0.000 0.289 694 L C -1.828 174.989 176.870 -0.087 0.000 1.032 694 L CA -0.040 54.817 54.840 0.028 0.000 0.810 694 L CB 0.504 42.561 42.059 -0.004 0.000 1.205 694 L HN 0.593 nan 8.230 nan 0.000 0.422 695 W N 5.564 126.927 121.300 0.105 0.000 2.702 695 W HA 0.547 5.212 4.660 0.008 0.000 0.331 695 W C -0.936 175.684 176.519 0.169 0.000 1.049 695 W CA -0.734 56.694 57.345 0.140 0.000 1.230 695 W CB 1.717 31.284 29.460 0.178 0.000 1.408 695 W HN 0.258 nan 8.180 nan 0.000 0.492 696 L N 3.431 124.943 121.223 0.482 0.000 2.275 696 L HA 0.726 5.071 4.340 0.009 0.000 0.288 696 L C -0.310 176.866 176.870 0.510 0.000 1.046 696 L CA 0.211 55.307 54.840 0.427 0.000 0.805 696 L CB 1.073 43.331 42.059 0.332 0.000 1.193 696 L HN 0.331 nan 8.230 nan 0.000 0.426 697 T N 5.075 119.866 114.554 0.395 0.000 2.881 697 T HA 0.663 5.018 4.350 0.009 0.000 0.290 697 T C -0.942 173.927 174.700 0.282 0.000 1.000 697 T CA -0.396 61.889 62.100 0.309 0.000 0.978 697 T CB 1.592 70.585 68.868 0.209 0.000 0.997 697 T HN 0.617 nan 8.240 nan 0.000 0.443 698 V N 1.792 121.835 119.914 0.214 0.000 2.823 698 V HA 0.863 4.988 4.120 0.009 0.000 0.312 698 V C -0.932 175.236 176.094 0.123 0.000 1.072 698 V CA -1.087 61.309 62.300 0.160 0.000 0.937 698 V CB 2.087 33.966 31.823 0.093 0.000 1.013 698 V HN 0.829 nan 8.190 nan 0.000 0.430 699 R N 2.268 122.881 120.500 0.187 0.000 2.621 699 R HA 0.772 5.117 4.340 0.009 0.000 0.284 699 R C -1.671 174.775 176.300 0.243 0.000 0.998 699 R CA -0.716 55.529 56.100 0.241 0.000 0.895 699 R CB 2.683 33.100 30.300 0.195 0.000 1.195 699 R HN 0.707 nan 8.270 nan 0.000 0.450 700 V N 3.658 123.748 119.914 0.293 0.000 2.427 700 V HA 0.420 4.545 4.120 0.009 0.000 0.286 700 V C -0.226 175.997 176.094 0.215 0.000 1.034 700 V CA -0.597 61.844 62.300 0.235 0.000 0.893 700 V CB 1.748 33.710 31.823 0.232 0.000 0.982 700 V HN 0.433 nan 8.190 nan 0.000 0.452 701 V N 4.535 124.544 119.914 0.159 0.000 2.680 701 V HA 0.424 4.549 4.120 0.009 0.000 0.309 701 V C -0.323 175.853 176.094 0.137 0.000 1.052 701 V CA -0.775 61.607 62.300 0.136 0.000 0.908 701 V CB 2.002 33.877 31.823 0.087 0.000 1.001 701 V HN 0.882 nan 8.190 nan 0.000 0.431 702 Q N 4.664 124.557 119.800 0.155 0.000 2.421 702 Q HA 0.288 4.633 4.340 0.009 0.000 0.242 702 Q C -1.732 174.307 176.000 0.065 0.000 1.024 702 Q CA -1.761 54.116 55.803 0.123 0.000 0.891 702 Q CB 1.843 30.670 28.738 0.148 0.000 1.222 702 Q HN 0.498 nan 8.270 nan 0.000 0.483 703 P HA -0.155 nan 4.420 nan 0.000 0.216 703 P C -0.649 176.653 177.300 0.003 0.000 1.153 703 P CA 1.163 64.278 63.100 0.025 0.000 0.848 703 P CB 0.399 32.115 31.700 0.027 0.000 0.787 704 N N -0.782 117.913 118.700 -0.009 0.000 2.466 704 N HA 0.481 5.226 4.740 0.009 0.000 0.294 704 N C -0.511 174.951 175.510 -0.079 0.000 1.129 704 N CA -0.757 52.272 53.050 -0.034 0.000 0.931 704 N CB 0.986 39.455 38.487 -0.029 0.000 1.193 704 N HN -0.051 nan 8.380 nan 0.000 0.500 705 A N 0.347 123.112 122.820 -0.092 0.000 2.351 705 A HA 0.534 4.859 4.320 0.009 0.000 0.257 705 A C 0.538 178.003 177.584 -0.198 0.000 1.087 705 A CA -0.239 51.705 52.037 -0.154 0.000 0.798 705 A CB 0.046 18.980 19.000 -0.111 0.000 1.033 705 A HN 0.714 nan 8.150 nan 0.000 0.488 706 T N -2.318 112.028 114.554 -0.347 0.000 2.804 706 T HA 0.626 4.981 4.350 0.009 0.000 0.272 706 T C 1.054 175.584 174.700 -0.283 0.000 0.986 706 T CA 0.079 61.962 62.100 -0.363 0.000 0.999 706 T CB 1.034 69.458 68.868 -0.739 0.000 1.307 706 T HN 1.216 nan 8.240 nan 0.000 0.586 707 A N -0.318 122.420 122.820 -0.138 0.000 2.119 707 A HA 0.156 4.481 4.320 0.009 0.000 0.217 707 A C 1.598 179.300 177.584 0.196 0.000 1.153 707 A CA 0.720 52.802 52.037 0.075 0.000 0.692 707 A CB -0.786 18.326 19.000 0.185 0.000 0.799 707 A HN 0.903 nan 8.150 nan 0.000 0.458 708 W N -0.670 120.689 121.300 0.097 0.000 2.714 708 W HA 0.416 5.081 4.660 0.010 0.000 0.353 708 W C -0.127 176.365 176.519 -0.046 0.000 0.999 708 W CA 0.442 57.814 57.345 0.046 0.000 1.629 708 W CB -1.100 28.381 29.460 0.036 0.000 1.106 708 W HN 0.380 nan 8.180 nan 0.000 0.545 709 S N 0.374 115.626 115.700 -0.747 0.000 2.569 709 S HA 0.474 4.949 4.470 0.009 0.000 0.280 709 S C -0.466 173.897 174.600 -0.395 0.000 1.111 709 S CA -0.565 57.217 58.200 -0.696 0.000 0.887 709 S CB 2.921 65.284 63.200 -1.395 0.000 1.095 709 S HN 0.012 nan 8.310 nan 0.000 0.476 710 E N 0.857 120.939 120.200 -0.196 0.000 2.342 710 E HA 0.554 4.909 4.350 0.009 0.000 0.257 710 E C 0.386 176.946 176.600 -0.067 0.000 1.150 710 E CA -0.495 55.853 56.400 -0.086 0.000 0.926 710 E CB 1.236 30.937 29.700 0.002 0.000 1.074 710 E HN 0.895 nan 8.360 nan 0.000 0.449 711 A N -0.368 122.429 122.820 -0.038 0.000 2.407 711 A HA 0.452 4.777 4.320 0.009 0.000 0.248 711 A C 1.012 178.608 177.584 0.021 0.000 1.082 711 A CA 0.572 52.599 52.037 -0.017 0.000 0.785 711 A CB -0.135 18.854 19.000 -0.018 0.000 1.020 711 A HN 0.716 nan 8.150 nan 0.000 0.489 712 G N 0.317 109.139 108.800 0.037 0.000 2.143 712 G HA2 -0.240 3.725 3.960 0.009 0.000 0.248 712 G HA3 -0.240 3.725 3.960 0.009 0.000 0.248 712 G C 0.125 175.076 174.900 0.084 0.000 0.991 712 G CA 0.754 45.880 45.100 0.043 0.000 0.689 712 G HN 1.661 nan 8.290 nan 0.000 0.522 713 H N -0.010 119.069 119.070 0.014 0.000 2.732 713 H HA 0.557 5.118 4.556 0.008 0.000 0.351 713 H C 0.681 176.080 175.328 0.119 0.000 1.090 713 H CA -0.115 55.968 56.048 0.058 0.000 1.431 713 H CB 0.344 30.125 29.762 0.033 0.000 1.447 713 H HN 0.254 nan 8.280 nan 0.000 0.582 714 I N 4.328 124.656 120.570 -0.404 0.000 2.315 714 I HA 0.065 4.240 4.170 0.009 0.000 0.291 714 I C 0.830 176.831 176.117 -0.193 0.000 1.006 714 I CA -0.070 61.136 61.300 -0.157 0.000 1.265 714 I CB 1.673 39.632 38.000 -0.069 0.000 1.387 714 I HN 0.777 nan 8.210 nan 0.000 0.475 715 S N 4.085 119.914 115.700 0.215 0.000 2.502 715 S HA 0.582 5.057 4.470 0.009 0.000 0.215 715 S C 0.480 175.363 174.600 0.472 0.000 1.009 715 S CA 0.021 58.481 58.200 0.434 0.000 0.908 715 S CB 0.508 64.084 63.200 0.627 0.000 0.801 715 S HN 0.732 nan 8.310 nan 0.000 0.505 716 A N 0.385 123.518 122.820 0.522 0.000 2.566 716 A HA 0.681 5.007 4.320 0.009 0.000 0.290 716 A C -1.895 176.062 177.584 0.622 0.000 1.071 716 A CA -0.723 51.595 52.037 0.468 0.000 0.658 716 A CB 0.251 19.579 19.000 0.547 0.000 1.285 716 A HN 1.038 nan 8.150 nan 0.000 0.427 717 W N -0.859 120.608 121.300 0.278 0.000 2.982 717 W HA 0.751 5.417 4.660 0.010 0.000 0.344 717 W C -1.448 175.060 176.519 -0.018 0.000 1.215 717 W CA -0.389 56.983 57.345 0.045 0.000 1.182 717 W CB 0.889 30.334 29.460 -0.025 0.000 1.437 717 W HN 1.177 nan 8.180 nan 0.000 0.570 718 Q N 1.652 121.445 119.800 -0.010 0.000 2.545 718 Q HA 0.358 4.703 4.340 0.009 0.000 0.273 718 Q C -1.759 174.006 176.000 -0.391 0.000 0.975 718 Q CA -0.584 55.034 55.803 -0.308 0.000 0.876 718 Q CB 2.216 30.539 28.738 -0.691 0.000 1.472 718 Q HN 0.673 nan 8.270 nan 0.000 0.389 719 Q N 2.956 122.488 119.800 -0.447 0.000 2.421 719 Q HA 0.667 5.012 4.340 0.009 0.000 0.280 719 Q C -1.385 174.533 176.000 -0.137 0.000 1.085 719 Q CA -0.513 55.204 55.803 -0.143 0.000 0.807 719 Q CB 1.663 30.492 28.738 0.151 0.000 1.405 719 Q HN 0.682 nan 8.270 nan 0.000 0.419 720 W N 1.999 123.494 121.300 0.326 0.000 3.033 720 W HA 0.491 5.156 4.660 0.008 0.000 0.336 720 W C -0.347 176.196 176.519 0.040 0.000 1.173 720 W CA -0.882 56.579 57.345 0.194 0.000 1.185 720 W CB 1.956 31.455 29.460 0.064 0.000 1.425 720 W HN 0.585 nan 8.180 nan 0.000 0.536 721 R N 2.052 122.445 120.500 -0.178 0.000 2.254 721 R HA 0.344 4.689 4.340 0.009 0.000 0.318 721 R C 0.407 176.486 176.300 -0.370 0.000 1.031 721 R CA -0.150 55.423 56.100 -0.877 0.000 0.905 721 R CB 0.849 30.299 30.300 -1.417 0.000 1.050 721 R HN 0.637 nan 8.270 nan 0.000 0.456 722 L N 2.627 123.659 121.223 -0.318 0.000 2.316 722 L HA 0.355 4.700 4.340 0.009 0.000 0.207 722 L C 0.608 177.375 176.870 -0.171 0.000 1.070 722 L CA 0.400 55.136 54.840 -0.175 0.000 0.820 722 L CB 0.253 42.250 42.059 -0.103 0.000 0.992 722 L HN 0.691 nan 8.230 nan 0.000 0.466 723 A N -0.351 122.347 122.820 -0.204 0.000 2.586 723 A HA 0.595 4.921 4.320 0.009 0.000 0.291 723 A C -1.529 175.966 177.584 -0.149 0.000 1.062 723 A CA -0.441 51.510 52.037 -0.144 0.000 0.666 723 A CB 1.640 20.589 19.000 -0.086 0.000 1.281 723 A HN 0.005 nan 8.150 nan 0.000 0.421 724 E N 0.671 120.813 120.200 -0.098 0.000 2.263 724 E HA 0.412 4.767 4.350 0.009 0.000 0.268 724 E C -1.593 174.989 176.600 -0.030 0.000 0.884 724 E CA -0.635 55.725 56.400 -0.066 0.000 0.766 724 E CB 1.193 30.849 29.700 -0.072 0.000 1.196 724 E HN 0.600 nan 8.360 nan 0.000 0.416 725 N N 4.986 123.681 118.700 -0.008 0.000 2.511 725 N HA 0.280 5.026 4.740 0.009 0.000 0.249 725 N C -0.504 175.016 175.510 0.016 0.000 0.971 725 N CA -0.320 52.732 53.050 0.005 0.000 0.938 725 N CB 1.251 39.745 38.487 0.011 0.000 1.131 725 N HN 0.462 nan 8.380 nan 0.000 0.505 726 L N 0.761 121.993 121.223 0.014 0.000 2.439 726 L HA 0.105 4.450 4.340 0.009 0.000 0.269 726 L C 1.204 178.091 176.870 0.028 0.000 1.179 726 L CA 0.080 54.934 54.840 0.023 0.000 0.828 726 L CB 0.640 42.710 42.059 0.019 0.000 1.106 726 L HN 0.364 nan 8.230 nan 0.000 0.467 727 S N 1.526 117.248 115.700 0.037 0.000 2.400 727 S HA 0.241 4.717 4.470 0.009 0.000 0.295 727 S C 0.450 175.070 174.600 0.033 0.000 1.113 727 S CA -0.872 57.350 58.200 0.038 0.000 1.064 727 S CB 0.329 63.557 63.200 0.047 0.000 0.990 727 S HN 0.403 nan 8.310 nan 0.000 0.502 728 V N 3.227 123.157 119.914 0.027 0.000 3.170 728 V HA 0.272 4.397 4.120 0.009 0.000 0.354 728 V C 0.748 176.855 176.094 0.022 0.000 1.350 728 V CA -0.383 61.931 62.300 0.023 0.000 1.244 728 V CB -1.021 30.812 31.823 0.018 0.000 1.222 728 V HN 0.860 nan 8.190 nan 0.000 0.478 729 T N 0.259 114.828 114.554 0.025 0.000 2.770 729 T HA 0.739 5.094 4.350 0.009 0.000 0.283 729 T C -0.499 174.214 174.700 0.023 0.000 0.988 729 T CA -0.675 61.439 62.100 0.022 0.000 0.957 729 T CB 1.476 70.356 68.868 0.022 0.000 0.930 729 T HN 0.205 nan 8.240 nan 0.000 0.443 730 L N 3.212 124.445 121.223 0.017 0.000 2.380 730 L HA 0.600 4.946 4.340 0.009 0.000 0.273 730 L C -1.812 175.064 176.870 0.009 0.000 1.138 730 L CA -1.740 53.108 54.840 0.013 0.000 0.832 730 L CB -1.111 40.953 42.059 0.010 0.000 1.124 730 L HN 0.428 nan 8.230 nan 0.000 0.454 731 P HA 0.300 nan 4.420 nan 0.000 0.272 731 P C -0.707 176.581 177.300 -0.020 0.000 1.230 731 P CA -0.573 62.524 63.100 -0.005 0.000 0.788 731 P CB 0.590 32.285 31.700 -0.008 0.000 0.949 732 A N 1.732 124.532 122.820 -0.034 0.000 2.476 732 A HA 0.424 4.749 4.320 0.009 0.000 0.275 732 A C 0.868 178.392 177.584 -0.101 0.000 1.133 732 A CA -0.066 51.939 52.037 -0.055 0.000 0.797 732 A CB -1.052 17.916 19.000 -0.054 0.000 1.081 732 A HN 0.700 nan 8.150 nan 0.000 0.510 733 A N 4.450 127.230 122.820 -0.067 0.000 2.558 733 A HA 0.353 4.678 4.320 0.009 0.000 0.262 733 A C 1.075 178.579 177.584 -0.134 0.000 1.049 733 A CA 0.561 52.558 52.037 -0.067 0.000 0.804 733 A CB -0.929 18.057 19.000 -0.024 0.000 0.957 733 A HN 1.668 nan 8.150 nan 0.000 0.520 734 S N 2.883 118.502 115.700 -0.135 0.000 2.817 734 S HA -0.108 4.367 4.470 0.009 0.000 0.333 734 S C 0.799 175.330 174.600 -0.115 0.000 1.227 734 S CA 0.883 58.985 58.200 -0.162 0.000 1.027 734 S CB -0.207 62.943 63.200 -0.084 0.000 0.732 734 S HN 0.802 nan 8.310 nan 0.000 0.499 735 H N 1.767 120.839 119.070 0.004 0.000 2.326 735 H HA 0.116 4.677 4.556 0.009 0.000 0.301 735 H C 1.533 176.863 175.328 0.003 0.000 1.081 735 H CA 1.069 57.121 56.048 0.005 0.000 1.334 735 H CB 0.039 29.806 29.762 0.009 0.000 1.385 735 H HN 0.759 nan 8.280 nan 0.000 0.504 736 A N 0.777 123.661 122.820 0.106 0.000 2.450 736 A HA 0.609 4.935 4.320 0.009 0.000 0.281 736 A C -0.376 177.196 177.584 -0.020 0.000 1.372 736 A CA -0.307 51.754 52.037 0.041 0.000 0.886 736 A CB 0.488 19.508 19.000 0.033 0.000 1.462 736 A HN 0.323 nan 8.150 nan 0.000 0.514 737 I N -1.355 119.161 120.570 -0.089 0.000 2.741 737 I HA 0.488 4.663 4.170 0.009 0.000 0.288 737 I C -2.994 172.906 176.117 -0.362 0.000 1.482 737 I CA -1.699 59.513 61.300 -0.146 0.000 1.050 737 I CB 2.522 40.478 38.000 -0.073 0.000 1.388 737 I HN 0.391 nan 8.210 nan 0.000 0.428 738 P HA 0.341 nan 4.420 nan 0.000 0.279 738 P C -1.518 175.614 177.300 -0.280 0.000 1.239 738 P CA 0.163 63.076 63.100 -0.311 0.000 0.789 738 P CB 0.349 31.963 31.700 -0.144 0.000 0.933 739 H N 0.909 120.012 119.070 0.055 0.000 2.467 739 H HA 0.471 5.032 4.556 0.009 0.000 0.326 739 H C -0.409 174.953 175.328 0.056 0.000 1.094 739 H CA -0.976 55.099 56.048 0.045 0.000 1.253 739 H CB 1.157 30.948 29.762 0.047 0.000 1.439 739 H HN 0.254 nan 8.280 nan 0.000 0.479 740 L N 3.001 124.320 121.223 0.161 0.000 2.280 740 L HA 0.355 4.700 4.340 0.009 0.000 0.287 740 L C -0.492 176.457 176.870 0.132 0.000 1.023 740 L CA -0.051 54.859 54.840 0.116 0.000 0.819 740 L CB 1.293 43.373 42.059 0.035 0.000 1.212 740 L HN 0.585 nan 8.230 nan 0.000 0.420 741 T N 4.268 118.916 114.554 0.156 0.000 2.772 741 T HA 0.471 4.826 4.350 0.009 0.000 0.288 741 T C 0.042 174.848 174.700 0.175 0.000 0.994 741 T CA -0.229 61.950 62.100 0.132 0.000 0.951 741 T CB 0.649 69.577 68.868 0.100 0.000 0.933 741 T HN 0.745 nan 8.240 nan 0.000 0.447 742 T N 2.645 117.298 114.554 0.165 0.000 2.847 742 T HA 0.729 5.084 4.350 0.009 0.000 0.279 742 T C 0.171 174.899 174.700 0.048 0.000 0.984 742 T CA -0.669 61.536 62.100 0.174 0.000 0.988 742 T CB 1.263 70.251 68.868 0.200 0.000 1.040 742 T HN 0.688 nan 8.240 nan 0.000 0.528 743 S N -0.392 115.282 115.700 -0.043 0.000 2.643 743 S HA 0.209 4.685 4.470 0.009 0.000 0.266 743 S C 0.295 174.817 174.600 -0.131 0.000 1.130 743 S CA -0.340 57.822 58.200 -0.063 0.000 0.817 743 S CB 0.752 63.927 63.200 -0.042 0.000 1.107 743 S HN 0.828 nan 8.310 nan 0.000 0.471 744 E N 0.571 120.714 120.200 -0.096 0.000 2.435 744 E HA 0.091 4.447 4.350 0.009 0.000 0.195 744 E C 1.262 177.776 176.600 -0.143 0.000 1.029 744 E CA 0.438 56.766 56.400 -0.120 0.000 0.865 744 E CB -0.152 29.503 29.700 -0.075 0.000 0.833 744 E HN 0.443 nan 8.360 nan 0.000 0.510 745 M N 1.196 120.725 119.600 -0.118 0.000 2.394 745 M HA 0.188 4.673 4.480 0.009 0.000 0.266 745 M C -0.316 175.904 176.300 -0.133 0.000 1.098 745 M CA 0.943 56.187 55.300 -0.093 0.000 1.149 745 M CB -0.583 31.995 32.600 -0.037 0.000 1.369 745 M HN 0.236 nan 8.290 nan 0.000 0.450 746 D N -2.459 117.826 120.400 -0.191 0.000 2.779 746 D HA 0.410 5.055 4.640 0.009 0.000 0.331 746 D C -1.283 174.861 176.300 -0.260 0.000 1.331 746 D CA -0.636 53.247 54.000 -0.194 0.000 0.866 746 D CB 0.698 41.516 40.800 0.031 0.000 1.409 746 D HN -0.068 nan 8.370 nan 0.000 0.486 747 F N -0.358 119.675 119.950 0.138 0.000 2.507 747 F HA 0.607 5.139 4.527 0.009 0.000 0.325 747 F C -0.430 175.492 175.800 0.204 0.000 1.116 747 F CA -0.821 57.251 58.000 0.120 0.000 0.930 747 F CB 1.867 40.903 39.000 0.060 0.000 1.146 747 F HN 0.319 nan 8.300 nan 0.000 0.447 748 C N 3.970 123.490 119.300 0.367 0.000 2.456 748 C HA 0.751 5.216 4.460 0.009 0.000 0.325 748 C C -0.487 174.681 174.990 0.298 0.000 1.217 748 C CA -0.824 58.390 59.018 0.326 0.000 1.687 748 C CB 1.079 28.949 27.740 0.217 0.000 2.270 748 C HN 0.515 nan 8.230 nan 0.000 0.499 749 I N 3.765 124.564 120.570 0.383 0.000 2.436 749 I HA 0.468 4.644 4.170 0.009 0.000 0.289 749 I C -0.318 176.088 176.117 0.481 0.000 1.010 749 I CA -0.076 61.443 61.300 0.366 0.000 1.098 749 I CB 1.530 39.684 38.000 0.256 0.000 1.266 749 I HN 0.635 nan 8.210 nan 0.000 0.434 750 E N 7.638 128.038 120.200 0.334 0.000 2.266 750 E HA 0.771 5.126 4.350 0.009 0.000 0.268 750 E C -1.257 175.490 176.600 0.246 0.000 0.879 750 E CA -1.013 55.564 56.400 0.294 0.000 0.762 750 E CB 2.863 32.661 29.700 0.163 0.000 1.199 750 E HN 0.620 nan 8.360 nan 0.000 0.422 751 L N 1.071 122.446 121.223 0.254 0.000 2.795 751 L HA 0.517 4.862 4.340 0.009 0.000 0.260 751 L C 0.170 177.115 176.870 0.126 0.000 0.935 751 L CA 0.619 55.559 54.840 0.166 0.000 0.985 751 L CB 0.918 43.084 42.059 0.179 0.000 1.433 751 L HN 0.951 nan 8.230 nan 0.000 0.447 752 G N 4.396 113.243 108.800 0.078 0.000 2.547 752 G HA2 -0.387 3.578 3.960 0.009 0.000 0.271 752 G HA3 -0.387 3.578 3.960 0.009 0.000 0.271 752 G C 0.493 175.396 174.900 0.005 0.000 1.209 752 G CA 0.542 45.667 45.100 0.041 0.000 0.959 752 G HN 1.204 nan 8.290 nan 0.000 0.563 753 N N 0.900 119.584 118.700 -0.026 0.000 2.409 753 N HA 0.007 4.752 4.740 0.009 0.000 0.179 753 N C 0.773 176.222 175.510 -0.102 0.000 1.032 753 N CA 1.303 54.320 53.050 -0.056 0.000 0.898 753 N CB -0.108 38.349 38.487 -0.051 0.000 0.971 753 N HN 0.778 nan 8.380 nan 0.000 0.441 754 K N 0.710 121.018 120.400 -0.153 0.000 2.350 754 K HA 0.215 4.540 4.320 0.009 0.000 0.279 754 K C -0.031 176.327 176.600 -0.403 0.000 1.027 754 K CA -0.094 55.965 56.287 -0.379 0.000 0.969 754 K CB 1.104 33.285 32.500 -0.532 0.000 0.954 754 K HN 0.113 nan 8.250 nan 0.000 0.474 755 R N 2.924 123.130 120.500 -0.491 0.000 2.626 755 R HA 0.318 4.663 4.340 0.009 0.000 0.274 755 R C -1.708 174.513 176.300 -0.131 0.000 1.031 755 R CA -0.640 55.365 56.100 -0.159 0.000 0.898 755 R CB 1.322 31.605 30.300 -0.028 0.000 1.222 755 R HN 0.625 nan 8.270 nan 0.000 0.455 756 W N 3.599 125.032 121.300 0.221 0.000 2.739 756 W HA 0.334 5.000 4.660 0.008 0.000 0.331 756 W C -0.633 176.023 176.519 0.228 0.000 1.049 756 W CA -0.664 56.774 57.345 0.156 0.000 1.234 756 W CB 2.134 31.685 29.460 0.152 0.000 1.404 756 W HN 0.455 nan 8.180 nan 0.000 0.477 757 Q N 2.730 122.714 119.800 0.307 0.000 2.340 757 Q HA 0.457 4.802 4.340 0.009 0.000 0.268 757 Q C -1.911 174.100 176.000 0.019 0.000 1.031 757 Q CA -0.535 55.444 55.803 0.293 0.000 0.804 757 Q CB 1.652 30.587 28.738 0.328 0.000 1.286 757 Q HN 0.346 nan 8.270 nan 0.000 0.448 758 F N 2.767 122.822 119.950 0.176 0.000 2.426 758 F HA 0.300 4.832 4.527 0.008 0.000 0.348 758 F C 0.549 176.415 175.800 0.111 0.000 1.124 758 F CA -0.973 57.105 58.000 0.129 0.000 1.008 758 F CB 1.273 40.355 39.000 0.137 0.000 1.139 758 F HN 0.478 nan 8.300 nan 0.000 0.452 759 N N 3.649 122.473 118.700 0.206 0.000 2.420 759 N HA 0.070 4.815 4.740 0.009 0.000 0.262 759 N C 0.889 176.443 175.510 0.074 0.000 1.144 759 N CA -0.030 53.087 53.050 0.112 0.000 0.952 759 N CB 0.692 39.236 38.487 0.095 0.000 1.081 759 N HN 0.670 nan 8.380 nan 0.000 0.480 760 R N 2.694 123.169 120.500 -0.041 0.000 2.285 760 R HA -0.099 4.247 4.340 0.009 0.000 0.213 760 R C 1.121 177.383 176.300 -0.063 0.000 1.068 760 R CA 1.109 57.148 56.100 -0.101 0.000 1.004 760 R CB 0.137 30.239 30.300 -0.329 0.000 0.873 760 R HN 0.648 nan 8.270 nan 0.000 0.467 761 Q N 0.097 119.875 119.800 -0.037 0.000 2.204 761 Q HA -0.015 4.330 4.340 0.009 0.000 0.198 761 Q C 2.146 178.128 176.000 -0.030 0.000 0.946 761 Q CA 1.505 57.290 55.803 -0.031 0.000 0.859 761 Q CB 0.272 29.002 28.738 -0.014 0.000 0.946 761 Q HN 0.310 nan 8.270 nan 0.000 0.474 762 S N -1.030 114.669 115.700 -0.002 0.000 2.456 762 S HA 0.230 4.705 4.470 0.009 0.000 0.224 762 S C 1.638 176.116 174.600 -0.202 0.000 1.035 762 S CA 0.527 58.722 58.200 -0.008 0.000 0.940 762 S CB 0.319 63.613 63.200 0.156 0.000 0.799 762 S HN 0.486 nan 8.310 nan 0.000 0.508 763 G N 0.328 109.048 108.800 -0.133 0.000 2.141 763 G HA2 -0.186 3.779 3.960 0.009 0.000 0.231 763 G HA3 -0.186 3.779 3.960 0.009 0.000 0.231 763 G C -0.096 174.718 174.900 -0.143 0.000 0.984 763 G CA 0.107 45.128 45.100 -0.132 0.000 0.660 763 G HN 0.528 nan 8.290 nan 0.000 0.525 764 F N -0.805 119.312 119.950 0.278 0.000 2.507 764 F HA 0.658 5.190 4.527 0.009 0.000 0.327 764 F C 0.609 176.410 175.800 0.001 0.000 1.068 764 F CA -1.371 56.741 58.000 0.187 0.000 0.965 764 F CB 1.569 40.653 39.000 0.139 0.000 1.192 764 F HN 0.043 nan 8.300 nan 0.000 0.476 765 L N 1.986 123.229 121.223 0.033 0.000 2.433 765 L HA 0.192 4.537 4.340 0.009 0.000 0.284 765 L C 0.756 177.509 176.870 -0.196 0.000 1.120 765 L CA 0.396 54.916 54.840 -0.533 0.000 0.879 765 L CB 0.300 41.897 42.059 -0.771 0.000 1.232 765 L HN 0.687 nan 8.230 nan 0.000 0.454 766 S N 2.587 118.199 115.700 -0.147 0.000 2.446 766 S HA 0.106 4.581 4.470 0.009 0.000 0.225 766 S C 0.552 175.052 174.600 -0.166 0.000 1.016 766 S CA 0.346 58.504 58.200 -0.071 0.000 0.943 766 S CB -0.150 63.052 63.200 0.002 0.000 0.786 766 S HN 0.743 nan 8.310 nan 0.000 0.508 767 Q N -0.196 119.457 119.800 -0.245 0.000 2.702 767 Q HA 0.664 5.009 4.340 0.009 0.000 0.289 767 Q C -1.725 173.982 176.000 -0.490 0.000 0.923 767 Q CA -0.601 54.943 55.803 -0.433 0.000 0.787 767 Q CB 1.473 29.861 28.738 -0.584 0.000 1.476 767 Q HN 0.345 nan 8.270 nan 0.000 0.402 768 M N 0.865 120.028 119.600 -0.728 0.000 2.413 768 M HA 0.741 5.226 4.480 0.009 0.000 0.287 768 M C -2.100 173.807 176.300 -0.656 0.000 1.186 768 M CA -0.211 54.747 55.300 -0.569 0.000 0.927 768 M CB 1.817 34.111 32.600 -0.509 0.000 1.715 768 M HN 0.548 nan 8.290 nan 0.000 0.478 769 W N 4.038 125.127 121.300 -0.352 0.000 2.844 769 W HA 0.618 5.283 4.660 0.009 0.000 0.340 769 W C -1.555 174.765 176.519 -0.333 0.000 1.093 769 W CA -0.860 56.323 57.345 -0.270 0.000 1.212 769 W CB 2.005 31.343 29.460 -0.203 0.000 1.422 769 W HN 0.545 nan 8.180 nan 0.000 0.515 770 I N 2.737 123.316 120.570 0.016 0.000 2.405 770 I HA 0.408 4.583 4.170 0.009 0.000 0.280 770 I C 0.750 176.862 176.117 -0.008 0.000 1.027 770 I CA 0.686 61.943 61.300 -0.072 0.000 1.161 770 I CB 0.750 38.684 38.000 -0.109 0.000 1.300 770 I HN 0.702 nan 8.210 nan 0.000 0.463 771 G N 5.206 113.993 108.800 -0.021 0.000 2.514 771 G HA2 -0.306 3.659 3.960 0.009 0.000 0.265 771 G HA3 -0.306 3.659 3.960 0.009 0.000 0.265 771 G C 0.359 175.276 174.900 0.028 0.000 1.150 771 G CA 0.405 45.498 45.100 -0.013 0.000 0.959 771 G HN 0.597 nan 8.290 nan 0.000 0.556 772 D N 1.006 121.435 120.400 0.047 0.000 2.354 772 D HA 0.217 4.862 4.640 0.009 0.000 0.209 772 D C 0.778 177.223 176.300 0.241 0.000 1.015 772 D CA 0.745 54.797 54.000 0.086 0.000 0.867 772 D CB -0.014 40.802 40.800 0.026 0.000 0.933 772 D HN 0.614 nan 8.370 nan 0.000 0.520 773 K N 0.940 121.449 120.400 0.181 0.000 2.258 773 K HA 0.367 4.692 4.320 0.009 0.000 0.284 773 K C -0.106 176.501 176.600 0.012 0.000 1.051 773 K CA -0.394 55.953 56.287 0.100 0.000 0.923 773 K CB 1.289 33.796 32.500 0.011 0.000 1.046 773 K HN -0.191 nan 8.250 nan 0.000 0.474 774 K N 1.787 122.081 120.400 -0.176 0.000 2.154 774 K HA 0.093 4.418 4.320 0.009 0.000 0.264 774 K C 0.726 177.130 176.600 -0.326 0.000 1.008 774 K CA -0.261 55.690 56.287 -0.560 0.000 0.937 774 K CB 0.754 32.951 32.500 -0.505 0.000 1.002 774 K HN 0.469 nan 8.250 nan 0.000 0.469 775 Q N 0.982 120.566 119.800 -0.361 0.000 2.391 775 Q HA 0.205 4.551 4.340 0.009 0.000 0.243 775 Q C 0.076 175.988 176.000 -0.148 0.000 0.874 775 Q CA 0.411 56.115 55.803 -0.164 0.000 0.950 775 Q CB 0.510 29.201 28.738 -0.078 0.000 1.103 775 Q HN 0.475 nan 8.270 nan 0.000 0.544 776 L N 0.828 121.911 121.223 -0.232 0.000 2.352 776 L HA 0.383 4.728 4.340 0.009 0.000 0.269 776 L C 1.093 177.836 176.870 -0.211 0.000 1.034 776 L CA -0.344 54.380 54.840 -0.194 0.000 0.806 776 L CB 1.107 43.050 42.059 -0.194 0.000 1.244 776 L HN -0.035 nan 8.230 nan 0.000 0.447 777 L N -0.181 120.911 121.223 -0.218 0.000 2.749 777 L HA 0.270 4.615 4.340 0.009 0.000 0.242 777 L C -0.022 176.741 176.870 -0.179 0.000 1.103 777 L CA 0.440 55.159 54.840 -0.203 0.000 0.906 777 L CB 0.812 42.732 42.059 -0.232 0.000 1.228 777 L HN 0.618 nan 8.230 nan 0.000 0.517 778 T N 0.520 114.953 114.554 -0.201 0.000 2.933 778 T HA 0.392 4.747 4.350 0.009 0.000 0.305 778 T C -2.699 171.941 174.700 -0.100 0.000 1.092 778 T CA -1.074 60.946 62.100 -0.133 0.000 1.008 778 T CB 2.717 71.495 68.868 -0.150 0.000 1.102 778 T HN -0.265 nan 8.240 nan 0.000 0.469 779 P HA 0.187 nan 4.420 nan 0.000 0.269 779 P C -0.544 176.728 177.300 -0.046 0.000 1.215 779 P CA -0.722 62.360 63.100 -0.030 0.000 0.780 779 P CB 0.430 32.150 31.700 0.033 0.000 0.898 780 L N 3.927 125.154 121.223 0.007 0.000 2.369 780 L HA 0.228 4.573 4.340 0.009 0.000 0.279 780 L C 0.510 177.309 176.870 -0.119 0.000 1.108 780 L CA 0.507 55.373 54.840 0.044 0.000 0.852 780 L CB -0.648 41.540 42.059 0.215 0.000 1.169 780 L HN 0.415 nan 8.230 nan 0.000 0.452 781 R N 1.922 122.278 120.500 -0.240 0.000 2.799 781 R HA 0.630 4.975 4.340 0.009 0.000 0.270 781 R C -1.144 174.983 176.300 -0.289 0.000 1.010 781 R CA -1.088 54.695 56.100 -0.528 0.000 0.916 781 R CB 0.632 30.166 30.300 -1.278 0.000 1.228 781 R HN 0.374 nan 8.270 nan 0.000 0.469 782 D N 1.122 121.390 120.400 -0.220 0.000 2.455 782 D HA 0.021 4.666 4.640 0.009 0.000 0.241 782 D C -0.651 175.242 176.300 -0.678 0.000 1.138 782 D CA 0.491 54.251 54.000 -0.400 0.000 0.877 782 D CB 0.685 41.232 40.800 -0.421 0.000 1.187 782 D HN 0.352 nan 8.370 nan 0.000 0.451 783 Q N 1.554 120.781 119.800 -0.955 0.000 2.304 783 Q HA 0.364 4.709 4.340 0.009 0.000 0.270 783 Q C -1.071 174.223 176.000 -1.177 0.000 1.035 783 Q CA -0.610 54.686 55.803 -0.845 0.000 0.781 783 Q CB 0.789 29.255 28.738 -0.453 0.000 1.261 783 Q HN 0.538 nan 8.270 nan 0.000 0.444 784 F N 0.517 120.112 119.950 -0.592 0.000 2.746 784 F HA 0.188 4.720 4.527 0.008 0.000 0.320 784 F C 0.726 176.113 175.800 -0.688 0.000 1.097 784 F CA -0.243 57.304 58.000 -0.756 0.000 1.195 784 F CB 1.324 39.609 39.000 -1.191 0.000 1.056 784 F HN 0.428 nan 8.300 nan 0.000 0.562 785 T N -0.616 113.673 114.554 -0.441 0.000 2.883 785 T HA 0.823 5.178 4.350 0.009 0.000 0.284 785 T C -0.547 173.924 174.700 -0.382 0.000 1.041 785 T CA -0.950 60.819 62.100 -0.550 0.000 1.007 785 T CB 2.599 71.098 68.868 -0.615 0.000 1.220 785 T HN 0.261 nan 8.240 nan 0.000 0.552 786 R N -0.757 119.560 120.500 -0.304 0.000 2.643 786 R HA 0.709 5.054 4.340 0.009 0.000 0.269 786 R C -1.268 175.080 176.300 0.079 0.000 1.037 786 R CA -1.108 54.927 56.100 -0.108 0.000 0.894 786 R CB 1.265 31.487 30.300 -0.129 0.000 1.238 786 R HN 0.862 nan 8.270 nan 0.000 0.459 787 A N 3.774 126.629 122.820 0.058 0.000 2.444 787 A HA 0.333 4.659 4.320 0.009 0.000 0.287 787 A C -2.046 175.598 177.584 0.100 0.000 1.195 787 A CA -1.439 50.636 52.037 0.063 0.000 0.858 787 A CB -0.502 18.485 19.000 -0.022 0.000 1.117 787 A HN 0.551 nan 8.150 nan 0.000 0.521 788 P HA -0.006 nan 4.420 nan 0.000 0.259 788 P C -0.280 177.133 177.300 0.188 0.000 1.155 788 P CA 0.719 63.975 63.100 0.260 0.000 0.759 788 P CB 0.122 31.997 31.700 0.292 0.000 0.753 789 L N 2.586 123.886 121.223 0.129 0.000 2.468 789 L HA 0.216 4.561 4.340 0.009 0.000 0.254 789 L C 1.800 178.690 176.870 0.034 0.000 1.171 789 L CA -0.535 54.324 54.840 0.031 0.000 0.809 789 L CB 0.050 42.052 42.059 -0.095 0.000 1.155 789 L HN 0.270 nan 8.230 nan 0.000 0.473 790 D N 0.377 120.737 120.400 -0.066 0.000 2.133 790 D HA -0.176 4.470 4.640 0.009 0.000 0.195 790 D C 1.644 177.884 176.300 -0.099 0.000 0.997 790 D CA 1.508 55.397 54.000 -0.184 0.000 0.840 790 D CB -0.005 40.614 40.800 -0.301 0.000 0.947 790 D HN 0.500 nan 8.370 nan 0.000 0.452 791 N N 1.033 119.698 118.700 -0.058 0.000 2.244 791 N HA -0.109 4.636 4.740 0.009 0.000 0.183 791 N C 1.198 176.739 175.510 0.051 0.000 1.016 791 N CA 0.735 53.781 53.050 -0.007 0.000 0.866 791 N CB -0.222 38.251 38.487 -0.023 0.000 0.980 791 N HN 0.287 nan 8.380 nan 0.000 0.430 792 D N 0.467 120.913 120.400 0.076 0.000 2.224 792 D HA -0.001 4.644 4.640 0.009 0.000 0.205 792 D C 1.990 178.357 176.300 0.111 0.000 0.965 792 D CA 0.477 54.561 54.000 0.141 0.000 0.852 792 D CB 0.115 41.081 40.800 0.275 0.000 0.947 792 D HN 0.336 nan 8.370 nan 0.000 0.494 793 I N 0.208 120.827 120.570 0.082 0.000 2.429 793 I HA 0.069 4.244 4.170 0.009 0.000 0.247 793 I C 1.841 177.991 176.117 0.056 0.000 1.099 793 I CA 0.753 62.088 61.300 0.058 0.000 1.422 793 I CB -0.346 37.662 38.000 0.014 0.000 1.112 793 I HN 0.084 nan 8.210 nan 0.000 0.430 794 G N 1.089 109.933 108.800 0.074 0.000 2.531 794 G HA2 -0.317 3.648 3.960 0.009 0.000 0.274 794 G HA3 -0.317 3.648 3.960 0.009 0.000 0.274 794 G C 0.588 175.661 174.900 0.289 0.000 1.159 794 G CA 0.586 45.790 45.100 0.173 0.000 0.969 794 G HN 0.570 nan 8.290 nan 0.000 0.554 795 V N -1.921 118.118 119.914 0.208 0.000 3.444 795 V HA 0.625 4.750 4.120 0.009 0.000 0.308 795 V C 1.226 177.355 176.094 0.058 0.000 1.371 795 V CA 1.159 63.535 62.300 0.126 0.000 1.141 795 V CB 0.164 31.948 31.823 -0.066 0.000 1.037 795 V HN 1.323 nan 8.190 nan 0.000 0.433 796 S N 1.187 116.921 115.700 0.057 0.000 2.537 796 S HA 0.310 4.785 4.470 0.009 0.000 0.286 796 S C -0.085 174.537 174.600 0.038 0.000 1.299 796 S CA 0.122 58.339 58.200 0.028 0.000 1.067 796 S CB 0.433 63.646 63.200 0.021 0.000 0.864 796 S HN 0.793 nan 8.310 nan 0.000 0.494 797 E N 1.867 122.082 120.200 0.025 0.000 2.378 797 E HA 0.678 5.033 4.350 0.009 0.000 0.265 797 E C 0.616 177.234 176.600 0.029 0.000 0.932 797 E CA -0.301 56.119 56.400 0.033 0.000 0.795 797 E CB 1.310 31.026 29.700 0.027 0.000 1.296 797 E HN 0.571 nan 8.360 nan 0.000 0.438 798 A N 0.171 123.013 122.820 0.037 0.000 1.930 798 A HA -0.133 4.192 4.320 0.009 0.000 0.217 798 A C 1.800 179.399 177.584 0.024 0.000 1.175 798 A CA 2.206 54.263 52.037 0.034 0.000 0.627 798 A CB -0.836 18.189 19.000 0.041 0.000 0.815 798 A HN 0.650 nan 8.150 nan 0.000 0.443 799 T N -0.565 114.001 114.554 0.021 0.000 2.588 799 T HA -0.069 4.286 4.350 0.009 0.000 0.261 799 T C 1.248 175.950 174.700 0.004 0.000 1.069 799 T CA 1.046 63.154 62.100 0.013 0.000 1.172 799 T CB -0.126 68.748 68.868 0.010 0.000 0.863 799 T HN 0.343 nan 8.240 nan 0.000 0.408 800 R N 1.045 121.543 120.500 -0.003 0.000 2.369 800 R HA 0.389 4.734 4.340 0.009 0.000 0.310 800 R C -1.203 175.090 176.300 -0.011 0.000 1.141 800 R CA -0.438 55.653 56.100 -0.013 0.000 1.116 800 R CB -0.127 30.156 30.300 -0.028 0.000 1.135 800 R HN 0.232 nan 8.270 nan 0.000 0.529 801 I N 2.315 122.880 120.570 -0.008 0.000 2.556 801 I HA -0.085 4.090 4.170 0.009 0.000 0.284 801 I C 0.287 176.391 176.117 -0.021 0.000 1.114 801 I CA 0.395 61.691 61.300 -0.008 0.000 1.418 801 I CB 0.795 38.793 38.000 -0.003 0.000 1.394 801 I HN 0.363 nan 8.210 nan 0.000 0.552 802 D N 9.396 129.782 120.400 -0.024 0.000 2.485 802 D HA 0.292 4.937 4.640 0.009 0.000 0.221 802 D C -1.768 174.495 176.300 -0.062 0.000 1.112 802 D CA -2.284 51.692 54.000 -0.040 0.000 0.911 802 D CB 1.092 41.873 40.800 -0.031 0.000 1.019 802 D HN 0.201 nan 8.370 nan 0.000 0.516 803 P HA -0.112 nan 4.420 nan 0.000 0.226 803 P C 0.767 177.977 177.300 -0.149 0.000 1.146 803 P CA 0.701 63.746 63.100 -0.091 0.000 0.773 803 P CB 0.416 32.069 31.700 -0.077 0.000 0.772 804 N N -0.621 117.983 118.700 -0.161 0.000 2.405 804 N HA 0.073 4.818 4.740 0.009 0.000 0.175 804 N C 0.668 175.984 175.510 -0.323 0.000 1.051 804 N CA 0.079 52.984 53.050 -0.242 0.000 0.899 804 N CB -0.045 38.325 38.487 -0.195 0.000 1.000 804 N HN 0.026 nan 8.380 nan 0.000 0.451 805 A N 0.293 122.985 122.820 -0.213 0.000 2.565 805 A HA -0.058 4.268 4.320 0.009 0.000 0.237 805 A C 0.840 178.243 177.584 -0.303 0.000 1.053 805 A CA -0.154 51.772 52.037 -0.185 0.000 0.755 805 A CB -0.172 18.785 19.000 -0.071 0.000 0.980 805 A HN 0.385 nan 8.150 nan 0.000 0.506 806 W N 1.926 122.981 121.300 -0.408 0.000 2.304 806 W HA -0.221 4.444 4.660 0.008 0.000 0.315 806 W C 2.268 178.215 176.519 -0.953 0.000 1.233 806 W CA 1.924 58.754 57.345 -0.859 0.000 1.261 806 W CB -0.416 28.424 29.460 -1.034 0.000 1.150 806 W HN 0.585 nan 8.180 nan 0.000 0.494 807 V N 0.796 120.601 119.914 -0.181 0.000 2.324 807 V HA -0.307 3.818 4.120 0.009 0.000 0.250 807 V C 2.273 178.474 176.094 0.178 0.000 1.060 807 V CA 2.283 64.712 62.300 0.216 0.000 1.042 807 V CB -0.467 31.525 31.823 0.282 0.000 0.650 807 V HN 0.083 nan 8.190 nan 0.000 0.450 808 E N 0.151 120.360 120.200 0.016 0.000 2.058 808 E HA -0.211 4.144 4.350 0.009 0.000 0.194 808 E C 2.352 178.934 176.600 -0.030 0.000 0.997 808 E CA 1.572 57.973 56.400 0.000 0.000 0.801 808 E CB -0.439 29.228 29.700 -0.055 0.000 0.746 808 E HN 0.641 nan 8.360 nan 0.000 0.450 809 R N -0.308 120.093 120.500 -0.166 0.000 2.083 809 R HA -0.148 4.197 4.340 0.009 0.000 0.237 809 R C 2.344 178.590 176.300 -0.089 0.000 1.137 809 R CA 1.330 57.308 56.100 -0.204 0.000 0.951 809 R CB -0.373 29.691 30.300 -0.393 0.000 0.851 809 R HN 0.280 nan 8.270 nan 0.000 0.434 810 W N 1.702 122.970 121.300 -0.053 0.000 2.355 810 W HA -0.053 4.612 4.660 0.009 0.000 0.309 810 W C 2.136 178.604 176.519 -0.085 0.000 1.206 810 W CA 0.498 57.720 57.345 -0.205 0.000 1.284 810 W CB -0.750 28.716 29.460 0.009 0.000 1.145 810 W HN 0.105 nan 8.180 nan 0.000 0.502 811 K N 0.119 120.755 120.400 0.393 0.000 1.991 811 K HA -0.158 4.168 4.320 0.009 0.000 0.212 811 K C 2.240 178.915 176.600 0.124 0.000 1.049 811 K CA 2.135 58.617 56.287 0.324 0.000 0.932 811 K CB -0.708 31.929 32.500 0.229 0.000 0.717 811 K HN -0.014 nan 8.250 nan 0.000 0.441 812 A N 0.902 123.761 122.820 0.065 0.000 2.024 812 A HA -0.137 4.188 4.320 0.009 0.000 0.220 812 A C 2.136 179.715 177.584 -0.008 0.000 1.164 812 A CA 1.945 53.999 52.037 0.028 0.000 0.643 812 A CB -0.555 18.447 19.000 0.003 0.000 0.806 812 A HN 0.393 nan 8.150 nan 0.000 0.451 813 A N -2.306 120.472 122.820 -0.071 0.000 2.218 813 A HA 0.422 4.748 4.320 0.009 0.000 0.209 813 A C 1.811 179.274 177.584 -0.201 0.000 1.168 813 A CA 1.184 53.164 52.037 -0.095 0.000 0.804 813 A CB -0.661 18.246 19.000 -0.154 0.000 0.834 813 A HN 1.846 nan 8.150 nan 0.000 0.482 814 G N -1.552 107.024 108.800 -0.373 0.000 2.175 814 G HA2 -0.305 3.661 3.960 0.009 0.000 0.244 814 G HA3 -0.305 3.661 3.960 0.009 0.000 0.244 814 G C 0.684 175.538 174.900 -0.075 0.000 0.982 814 G CA 0.650 45.312 45.100 -0.730 0.000 0.641 814 G HN 0.705 nan 8.290 nan 0.000 0.527 815 H N -1.060 117.958 119.070 -0.086 0.000 2.357 815 H HA -0.177 4.384 4.556 0.009 0.000 0.296 815 H C 2.220 177.501 175.328 -0.079 0.000 1.108 815 H CA 1.793 57.803 56.048 -0.064 0.000 1.273 815 H CB -0.029 29.624 29.762 -0.181 0.000 1.367 815 H HN 0.599 nan 8.280 nan 0.000 0.498 816 Y N 0.685 121.105 120.300 0.199 0.000 2.509 816 Y HA -0.099 4.456 4.550 0.008 0.000 0.293 816 Y C 1.857 177.843 175.900 0.142 0.000 1.133 816 Y CA 0.646 58.828 58.100 0.137 0.000 1.283 816 Y CB 0.412 38.938 38.460 0.110 0.000 1.001 816 Y HN 0.374 nan 8.280 nan 0.000 0.555 817 Q N -0.523 119.443 119.800 0.277 0.000 2.106 817 Q HA 0.445 4.790 4.340 0.009 0.000 0.273 817 Q C -0.265 175.922 176.000 0.311 0.000 0.853 817 Q CA -0.344 55.622 55.803 0.272 0.000 1.118 817 Q CB 0.357 29.248 28.738 0.255 0.000 1.240 817 Q HN 0.139 nan 8.270 nan 0.000 0.445 818 A N 1.351 124.366 122.820 0.325 0.000 2.351 818 A HA 0.366 4.691 4.320 0.009 0.000 0.257 818 A C -0.171 177.674 177.584 0.436 0.000 1.087 818 A CA -0.151 52.122 52.037 0.393 0.000 0.798 818 A CB 0.453 19.694 19.000 0.401 0.000 1.033 818 A HN 0.402 nan 8.150 nan 0.000 0.488 819 E N 0.731 121.129 120.200 0.329 0.000 2.171 819 E HA 0.503 4.858 4.350 0.009 0.000 0.271 819 E C -0.135 176.466 176.600 0.002 0.000 0.916 819 E CA -0.637 55.886 56.400 0.204 0.000 0.774 819 E CB 1.950 31.737 29.700 0.146 0.000 1.128 819 E HN 0.774 nan 8.360 nan 0.000 0.403 820 A N 2.146 124.863 122.820 -0.173 0.000 2.386 820 A HA 0.597 4.922 4.320 0.009 0.000 0.246 820 A C -0.257 177.189 177.584 -0.231 0.000 1.089 820 A CA 0.043 51.748 52.037 -0.554 0.000 0.790 820 A CB 0.473 19.201 19.000 -0.453 0.000 1.042 820 A HN 0.640 nan 8.150 nan 0.000 0.497 821 A N 0.878 123.549 122.820 -0.248 0.000 2.466 821 A HA 0.517 4.842 4.320 0.009 0.000 0.284 821 A C -0.816 176.629 177.584 -0.232 0.000 1.049 821 A CA -0.518 51.428 52.037 -0.152 0.000 0.760 821 A CB 0.652 19.592 19.000 -0.099 0.000 1.274 821 A HN 1.023 nan 8.150 nan 0.000 0.412 822 L N 3.547 124.608 121.223 -0.270 0.000 2.534 822 L HA 0.191 4.536 4.340 0.009 0.000 0.271 822 L C 0.643 177.361 176.870 -0.253 0.000 1.178 822 L CA 0.200 54.789 54.840 -0.418 0.000 0.907 822 L CB 0.067 41.939 42.059 -0.311 0.000 1.164 822 L HN 0.835 nan 8.230 nan 0.000 0.482 823 L N 3.634 124.705 121.223 -0.254 0.000 2.425 823 L HA 0.218 4.563 4.340 0.009 0.000 0.215 823 L C 0.528 177.339 176.870 -0.098 0.000 1.065 823 L CA 0.115 54.882 54.840 -0.122 0.000 0.842 823 L CB 0.165 42.186 42.059 -0.063 0.000 1.033 823 L HN 0.741 nan 8.230 nan 0.000 0.474 824 Q N -0.555 119.166 119.800 -0.131 0.000 2.527 824 Q HA 0.379 4.724 4.340 0.009 0.000 0.280 824 Q C -1.883 174.080 176.000 -0.062 0.000 0.977 824 Q CA -0.717 55.046 55.803 -0.068 0.000 0.837 824 Q CB 2.823 31.549 28.738 -0.021 0.000 1.454 824 Q HN 0.009 nan 8.270 nan 0.000 0.387 825 C N 2.896 122.198 119.300 0.002 0.000 2.968 825 C HA 0.732 5.197 4.460 0.009 0.000 0.389 825 C C -1.249 173.824 174.990 0.138 0.000 1.068 825 C CA 0.697 59.755 59.018 0.067 0.000 1.272 825 C CB 0.561 28.349 27.740 0.080 0.000 1.711 825 C HN 0.864 nan 8.230 nan 0.000 0.501 826 T N 2.530 117.099 114.554 0.025 0.000 2.903 826 T HA 0.882 5.237 4.350 0.009 0.000 0.299 826 T C -0.475 173.995 174.700 -0.384 0.000 1.093 826 T CA -0.119 61.932 62.100 -0.081 0.000 1.002 826 T CB 1.893 70.730 68.868 -0.051 0.000 1.127 826 T HN 1.729 nan 8.240 nan 0.000 0.488 827 A N 2.028 124.482 122.820 -0.610 0.000 2.350 827 A HA 0.796 5.122 4.320 0.009 0.000 0.324 827 A C -0.940 176.427 177.584 -0.361 0.000 1.118 827 A CA -0.658 50.942 52.037 -0.727 0.000 0.783 827 A CB 1.152 19.372 19.000 -1.300 0.000 1.236 827 A HN 0.886 nan 8.150 nan 0.000 0.457 828 D N 0.357 120.590 120.400 -0.278 0.000 2.756 828 D HA 0.499 5.144 4.640 0.009 0.000 0.226 828 D C -1.131 175.085 176.300 -0.139 0.000 1.186 828 D CA 0.021 53.924 54.000 -0.162 0.000 0.845 828 D CB 2.428 43.156 40.800 -0.119 0.000 1.610 828 D HN 0.376 nan 8.370 nan 0.000 0.465 829 T N 2.031 116.530 114.554 -0.091 0.000 2.758 829 T HA 0.380 4.735 4.350 0.009 0.000 0.285 829 T C 0.017 174.684 174.700 -0.055 0.000 0.981 829 T CA -0.585 61.472 62.100 -0.071 0.000 0.965 829 T CB 0.689 69.531 68.868 -0.044 0.000 0.927 829 T HN 0.049 nan 8.240 nan 0.000 0.448 830 L N 2.172 123.360 121.223 -0.060 0.000 2.400 830 L HA 0.574 4.919 4.340 0.009 0.000 0.264 830 L C 1.800 178.649 176.870 -0.036 0.000 1.061 830 L CA -0.394 54.418 54.840 -0.047 0.000 0.799 830 L CB 0.073 42.100 42.059 -0.053 0.000 1.240 830 L HN 0.735 nan 8.230 nan 0.000 0.461 831 A N 1.319 124.123 122.820 -0.027 0.000 1.903 831 A HA -0.197 4.128 4.320 0.009 0.000 0.219 831 A C 0.975 178.545 177.584 -0.022 0.000 1.191 831 A CA 2.291 54.317 52.037 -0.019 0.000 0.638 831 A CB -0.560 18.431 19.000 -0.015 0.000 0.823 831 A HN 0.843 nan 8.150 nan 0.000 0.451 832 D N -2.697 117.684 120.400 -0.032 0.000 2.563 832 D HA 0.574 5.219 4.640 0.009 0.000 0.237 832 D C 0.017 176.281 176.300 -0.060 0.000 1.282 832 D CA 0.647 54.623 54.000 -0.040 0.000 0.816 832 D CB -0.207 40.573 40.800 -0.034 0.000 1.066 832 D HN 0.607 nan 8.370 nan 0.000 0.501 833 A N -0.552 122.226 122.820 -0.069 0.000 2.566 833 A HA 0.609 4.934 4.320 0.009 0.000 0.290 833 A C -1.647 175.872 177.584 -0.108 0.000 1.071 833 A CA -0.725 51.255 52.037 -0.095 0.000 0.658 833 A CB 1.263 20.209 19.000 -0.090 0.000 1.285 833 A HN -0.003 nan 8.150 nan 0.000 0.427 834 V N 0.429 120.255 119.914 -0.147 0.000 2.547 834 V HA 0.675 4.801 4.120 0.009 0.000 0.299 834 V C -0.825 175.157 176.094 -0.187 0.000 1.040 834 V CA -0.489 61.710 62.300 -0.169 0.000 0.913 834 V CB 1.448 33.154 31.823 -0.195 0.000 0.992 834 V HN 0.838 nan 8.190 nan 0.000 0.449 835 L N 5.652 126.758 121.223 -0.195 0.000 2.342 835 L HA 0.631 4.976 4.340 0.009 0.000 0.276 835 L C -0.839 175.879 176.870 -0.253 0.000 0.997 835 L CA -0.021 54.711 54.840 -0.180 0.000 0.838 835 L CB 1.133 43.118 42.059 -0.123 0.000 1.224 835 L HN 0.391 nan 8.230 nan 0.000 0.416 836 I N 3.626 124.032 120.570 -0.273 0.000 2.428 836 I HA 0.555 4.730 4.170 0.009 0.000 0.296 836 I C 0.250 176.314 176.117 -0.088 0.000 0.985 836 I CA -0.411 60.675 61.300 -0.356 0.000 1.260 836 I CB 1.618 39.185 38.000 -0.723 0.000 1.389 836 I HN 0.539 nan 8.210 nan 0.000 0.484 837 T N 4.276 118.785 114.554 -0.075 0.000 2.879 837 T HA 0.624 4.979 4.350 0.009 0.000 0.290 837 T C -0.025 174.723 174.700 0.079 0.000 0.993 837 T CA -0.600 61.523 62.100 0.038 0.000 0.975 837 T CB 1.679 70.543 68.868 -0.005 0.000 0.981 837 T HN 0.813 nan 8.240 nan 0.000 0.439 838 T N -0.275 114.381 114.554 0.170 0.000 2.888 838 T HA 0.930 5.285 4.350 0.009 0.000 0.288 838 T C -1.129 173.670 174.700 0.165 0.000 1.063 838 T CA -1.135 61.062 62.100 0.162 0.000 1.010 838 T CB 2.087 71.144 68.868 0.316 0.000 1.214 838 T HN 0.848 nan 8.240 nan 0.000 0.533 839 A N 1.259 124.127 122.820 0.080 0.000 2.500 839 A HA 0.678 5.003 4.320 0.009 0.000 0.291 839 A C -1.554 176.019 177.584 -0.018 0.000 1.048 839 A CA -0.798 51.324 52.037 0.142 0.000 0.791 839 A CB 0.612 19.663 19.000 0.084 0.000 1.309 839 A HN 0.964 nan 8.150 nan 0.000 0.397 840 H N 0.347 119.474 119.070 0.095 0.000 2.834 840 H HA 0.867 5.428 4.556 0.009 0.000 0.369 840 H C 0.081 175.422 175.328 0.021 0.000 1.174 840 H CA 0.003 56.000 56.048 -0.084 0.000 1.165 840 H CB 2.028 31.529 29.762 -0.435 0.000 1.820 840 H HN 1.024 nan 8.280 nan 0.000 0.558 841 A N 1.178 124.013 122.820 0.025 0.000 2.343 841 A HA 0.454 4.779 4.320 0.009 0.000 0.316 841 A C -1.329 176.291 177.584 0.061 0.000 1.104 841 A CA -0.725 51.403 52.037 0.153 0.000 0.768 841 A CB 1.082 20.143 19.000 0.100 0.000 1.213 841 A HN 0.561 nan 8.150 nan 0.000 0.456 842 W N 2.107 123.508 121.300 0.169 0.000 2.433 842 W HA 0.463 5.129 4.660 0.009 0.000 0.315 842 W C -0.262 176.253 176.519 -0.008 0.000 1.087 842 W CA -0.241 57.187 57.345 0.139 0.000 1.205 842 W CB 1.700 31.290 29.460 0.216 0.000 1.288 842 W HN 0.829 nan 8.180 nan 0.000 0.504 843 Q N 1.958 121.890 119.800 0.220 0.000 2.501 843 Q HA 0.471 4.816 4.340 0.009 0.000 0.288 843 Q C -1.244 174.881 176.000 0.209 0.000 1.051 843 Q CA -1.015 54.870 55.803 0.137 0.000 0.788 843 Q CB 3.564 32.350 28.738 0.081 0.000 1.469 843 Q HN 0.454 nan 8.270 nan 0.000 0.416 844 H N 1.505 120.604 119.070 0.048 0.000 3.149 844 H HA 0.042 4.604 4.556 0.009 0.000 0.334 844 H C -0.868 174.487 175.328 0.045 0.000 1.000 844 H CA -0.111 55.976 56.048 0.065 0.000 1.415 844 H CB 1.065 30.877 29.762 0.084 0.000 1.819 844 H HN 0.844 nan 8.280 nan 0.000 0.486 845 Q N 3.115 122.757 119.800 -0.263 0.000 2.468 845 Q HA -0.185 4.160 4.340 0.009 0.000 0.289 845 Q C 0.850 176.819 176.000 -0.051 0.000 1.299 845 Q CA 1.209 56.901 55.803 -0.186 0.000 0.838 845 Q CB -2.322 26.292 28.738 -0.207 0.000 1.195 845 Q HN 1.176 nan 8.270 nan 0.000 0.456 846 G N -0.352 108.436 108.800 -0.020 0.000 2.153 846 G HA2 -0.355 3.610 3.960 0.009 0.000 0.252 846 G HA3 -0.355 3.610 3.960 0.009 0.000 0.252 846 G C -0.016 174.894 174.900 0.018 0.000 0.994 846 G CA 0.772 45.874 45.100 0.003 0.000 0.698 846 G HN 0.466 nan 8.290 nan 0.000 0.521 847 K N 1.064 121.484 120.400 0.033 0.000 2.274 847 K HA 0.652 4.977 4.320 0.009 0.000 0.262 847 K C 0.079 176.694 176.600 0.024 0.000 0.961 847 K CA -0.399 55.909 56.287 0.034 0.000 0.833 847 K CB 0.997 33.526 32.500 0.049 0.000 1.102 847 K HN -0.015 nan 8.250 nan 0.000 0.436 848 T N 6.266 120.826 114.554 0.010 0.000 2.723 848 T HA 0.219 4.574 4.350 0.009 0.000 0.297 848 T C 1.199 175.843 174.700 -0.093 0.000 0.925 848 T CA -0.426 61.673 62.100 -0.001 0.000 1.030 848 T CB 0.309 69.198 68.868 0.035 0.000 0.905 848 T HN 0.497 nan 8.240 nan 0.000 0.502 849 L N 2.431 123.493 121.223 -0.269 0.000 2.034 849 L HA 0.265 4.610 4.340 0.009 0.000 0.203 849 L C 0.165 176.635 176.870 -0.667 0.000 1.074 849 L CA 1.194 55.626 54.840 -0.680 0.000 0.748 849 L CB -0.115 41.081 42.059 -1.438 0.000 0.905 849 L HN 0.533 nan 8.230 nan 0.000 0.439 850 F N -1.380 118.530 119.950 -0.067 0.000 2.640 850 F HA 0.617 5.149 4.527 0.008 0.000 0.324 850 F C -0.365 175.540 175.800 0.176 0.000 1.077 850 F CA -0.944 56.989 58.000 -0.111 0.000 0.965 850 F CB 1.943 40.555 39.000 -0.646 0.000 1.351 850 F HN -0.313 nan 8.300 nan 0.000 0.487 851 I N 1.221 122.050 120.570 0.432 0.000 2.534 851 I HA 0.308 4.483 4.170 0.009 0.000 0.288 851 I C -1.039 175.364 176.117 0.477 0.000 1.077 851 I CA -0.522 61.052 61.300 0.456 0.000 1.051 851 I CB 2.202 40.376 38.000 0.289 0.000 1.234 851 I HN 0.553 nan 8.210 nan 0.000 0.425 852 S N 6.811 122.900 115.700 0.648 0.000 2.449 852 S HA 0.597 5.072 4.470 0.009 0.000 0.310 852 S C -0.690 174.166 174.600 0.426 0.000 1.096 852 S CA -0.659 57.875 58.200 0.556 0.000 1.095 852 S CB 0.813 64.459 63.200 0.744 0.000 1.007 852 S HN 0.592 nan 8.310 nan 0.000 0.474 853 R N 3.763 124.432 120.500 0.281 0.000 2.388 853 R HA 0.477 4.822 4.340 0.009 0.000 0.314 853 R C -0.677 175.698 176.300 0.125 0.000 0.959 853 R CA -0.720 55.506 56.100 0.209 0.000 0.851 853 R CB 1.788 32.186 30.300 0.163 0.000 1.168 853 R HN 0.572 nan 8.270 nan 0.000 0.472 854 K N 0.777 121.256 120.400 0.131 0.000 2.346 854 K HA 0.580 4.906 4.320 0.009 0.000 0.238 854 K C -0.434 176.172 176.600 0.011 0.000 1.039 854 K CA -0.958 55.327 56.287 -0.004 0.000 0.861 854 K CB 2.188 34.639 32.500 -0.082 0.000 1.278 854 K HN 0.559 nan 8.250 nan 0.000 0.460 855 T N -1.344 113.135 114.554 -0.125 0.000 3.032 855 T HA 0.472 4.827 4.350 0.009 0.000 0.312 855 T C -1.451 173.161 174.700 -0.148 0.000 1.078 855 T CA -0.846 61.233 62.100 -0.035 0.000 1.028 855 T CB 0.277 69.132 68.868 -0.021 0.000 1.091 855 T HN 0.368 nan 8.240 nan 0.000 0.457 856 Y N 1.502 121.775 120.300 -0.044 0.000 2.352 856 Y HA 0.730 5.285 4.550 0.009 0.000 0.339 856 Y C 0.575 176.402 175.900 -0.121 0.000 0.992 856 Y CA -1.349 56.730 58.100 -0.036 0.000 1.100 856 Y CB 1.746 40.221 38.460 0.025 0.000 1.192 856 Y HN 0.822 nan 8.280 nan 0.000 0.458 857 R N 4.688 125.213 120.500 0.042 0.000 2.473 857 R HA 0.581 4.927 4.340 0.009 0.000 0.303 857 R C -1.937 174.300 176.300 -0.106 0.000 1.002 857 R CA -0.308 55.761 56.100 -0.052 0.000 0.884 857 R CB 0.637 30.911 30.300 -0.043 0.000 1.173 857 R HN 0.823 nan 8.270 nan 0.000 0.464 858 I N 4.492 124.938 120.570 -0.208 0.000 2.392 858 I HA 0.270 4.445 4.170 0.009 0.000 0.295 858 I C -0.228 175.755 176.117 -0.224 0.000 0.985 858 I CA -0.730 60.377 61.300 -0.320 0.000 1.221 858 I CB 1.584 39.212 38.000 -0.619 0.000 1.366 858 I HN 0.720 nan 8.210 nan 0.000 0.467 859 D N 3.749 124.047 120.400 -0.170 0.000 2.553 859 D HA 0.255 4.900 4.640 0.009 0.000 0.249 859 D C 1.029 177.279 176.300 -0.084 0.000 1.062 859 D CA -0.740 53.195 54.000 -0.108 0.000 1.085 859 D CB 1.096 41.855 40.800 -0.069 0.000 1.350 859 D HN 0.528 nan 8.370 nan 0.000 0.575 860 G N -0.749 108.011 108.800 -0.068 0.000 2.501 860 G HA2 -0.211 3.754 3.960 0.009 0.000 0.220 860 G HA3 -0.211 3.754 3.960 0.009 0.000 0.220 860 G C 1.039 175.922 174.900 -0.028 0.000 1.114 860 G CA 0.928 45.997 45.100 -0.051 0.000 0.757 860 G HN 0.423 nan 8.290 nan 0.000 0.559 861 S N -0.144 115.540 115.700 -0.027 0.000 2.489 861 S HA 0.291 4.767 4.470 0.009 0.000 0.228 861 S C 1.735 176.366 174.600 0.051 0.000 0.995 861 S CA 0.660 58.857 58.200 -0.004 0.000 0.934 861 S CB -0.018 63.177 63.200 -0.009 0.000 0.771 861 S HN 1.309 nan 8.310 nan 0.000 0.522 862 G N 1.591 110.433 108.800 0.070 0.000 2.256 862 G HA2 -0.227 3.738 3.960 0.009 0.000 0.272 862 G HA3 -0.227 3.738 3.960 0.009 0.000 0.272 862 G C -0.375 174.653 174.900 0.213 0.000 1.076 862 G CA -0.275 44.950 45.100 0.209 0.000 0.882 862 G HN 0.483 nan 8.290 nan 0.000 0.497 863 Q N -0.541 119.305 119.800 0.077 0.000 2.330 863 Q HA 0.633 4.979 4.340 0.009 0.000 0.269 863 Q C 0.507 176.512 176.000 0.007 0.000 1.022 863 Q CA -0.825 55.027 55.803 0.083 0.000 0.796 863 Q CB 1.427 30.198 28.738 0.056 0.000 1.271 863 Q HN 0.650 nan 8.270 nan 0.000 0.450 864 M N 0.439 120.080 119.600 0.067 0.000 2.268 864 M HA 0.801 5.286 4.480 0.009 0.000 0.344 864 M C -0.871 175.509 176.300 0.133 0.000 1.106 864 M CA -0.774 54.547 55.300 0.035 0.000 1.010 864 M CB 1.702 34.288 32.600 -0.024 0.000 1.649 864 M HN 0.446 nan 8.290 nan 0.000 0.443 865 A N 5.682 128.549 122.820 0.078 0.000 2.258 865 A HA 0.737 5.062 4.320 0.009 0.000 0.316 865 A C -0.500 177.101 177.584 0.027 0.000 1.279 865 A CA -0.815 51.267 52.037 0.074 0.000 0.876 865 A CB 0.306 19.332 19.000 0.044 0.000 1.170 865 A HN 0.941 nan 8.150 nan 0.000 0.520 866 I N 1.963 122.538 120.570 0.008 0.000 2.353 866 I HA 0.385 4.560 4.170 0.009 0.000 0.293 866 I C 0.023 176.015 176.117 -0.208 0.000 0.992 866 I CA -0.156 61.039 61.300 -0.175 0.000 1.268 866 I CB 1.763 39.680 38.000 -0.138 0.000 1.387 866 I HN 0.452 nan 8.210 nan 0.000 0.478 867 T N 5.624 120.008 114.554 -0.283 0.000 2.841 867 T HA 0.547 4.902 4.350 0.009 0.000 0.285 867 T C -0.467 174.020 174.700 -0.355 0.000 0.991 867 T CA -0.360 61.578 62.100 -0.271 0.000 0.966 867 T CB 1.892 70.696 68.868 -0.106 0.000 0.962 867 T HN 0.265 nan 8.240 nan 0.000 0.438 868 V N 3.496 123.073 119.914 -0.561 0.000 2.735 868 V HA 0.617 4.742 4.120 0.009 0.000 0.310 868 V C -0.748 175.138 176.094 -0.347 0.000 1.061 868 V CA -0.873 61.121 62.300 -0.511 0.000 0.913 868 V CB 2.273 33.546 31.823 -0.917 0.000 1.005 868 V HN 0.832 nan 8.190 nan 0.000 0.428 869 D N 2.296 122.668 120.400 -0.047 0.000 2.479 869 D HA 0.387 5.032 4.640 0.009 0.000 0.246 869 D C -1.052 175.370 176.300 0.202 0.000 1.336 869 D CA -0.037 54.040 54.000 0.128 0.000 0.967 869 D CB 2.534 43.444 40.800 0.184 0.000 1.275 869 D HN 0.271 nan 8.370 nan 0.000 0.577 870 V N 1.948 122.021 119.914 0.264 0.000 2.617 870 V HA 0.344 4.469 4.120 0.009 0.000 0.298 870 V C 0.325 176.566 176.094 0.246 0.000 1.048 870 V CA -0.493 61.977 62.300 0.284 0.000 0.964 870 V CB 2.121 34.130 31.823 0.310 0.000 1.004 870 V HN 0.409 nan 8.190 nan 0.000 0.466 871 E N 2.087 122.426 120.200 0.232 0.000 2.199 871 E HA 0.607 4.963 4.350 0.009 0.000 0.265 871 E C -1.647 175.085 176.600 0.220 0.000 0.882 871 E CA -0.453 56.062 56.400 0.191 0.000 0.759 871 E CB 2.023 31.822 29.700 0.164 0.000 1.148 871 E HN 0.516 nan 8.360 nan 0.000 0.412 872 V N 2.753 122.797 119.914 0.217 0.000 2.417 872 V HA 0.536 4.661 4.120 0.009 0.000 0.291 872 V C 0.197 176.405 176.094 0.190 0.000 1.024 872 V CA -1.018 61.440 62.300 0.263 0.000 0.861 872 V CB 1.384 33.392 31.823 0.308 0.000 0.985 872 V HN 0.839 nan 8.190 nan 0.000 0.436 873 A N 3.227 126.133 122.820 0.143 0.000 2.488 873 A HA 0.343 4.668 4.320 0.009 0.000 0.249 873 A C 1.703 179.371 177.584 0.141 0.000 1.083 873 A CA 0.577 52.675 52.037 0.102 0.000 0.768 873 A CB 0.353 19.377 19.000 0.040 0.000 1.017 873 A HN 1.344 nan 8.150 nan 0.000 0.496 874 S N 1.649 117.420 115.700 0.120 0.000 2.387 874 S HA -0.212 4.264 4.470 0.009 0.000 0.230 874 S C 1.018 175.699 174.600 0.135 0.000 1.035 874 S CA 1.847 60.128 58.200 0.134 0.000 1.014 874 S CB -0.420 62.836 63.200 0.093 0.000 0.836 874 S HN 0.844 nan 8.310 nan 0.000 0.466 875 D N 0.359 120.816 120.400 0.094 0.000 2.370 875 D HA 0.186 4.831 4.640 0.009 0.000 0.230 875 D C 0.288 176.626 176.300 0.065 0.000 1.143 875 D CA -0.044 53.995 54.000 0.066 0.000 0.834 875 D CB -0.282 40.543 40.800 0.042 0.000 0.944 875 D HN 0.302 nan 8.370 nan 0.000 0.504 876 T N 0.505 115.126 114.554 0.111 0.000 2.885 876 T HA 0.473 4.828 4.350 0.009 0.000 0.285 876 T C -2.759 172.045 174.700 0.172 0.000 1.019 876 T CA -2.109 60.080 62.100 0.148 0.000 1.010 876 T CB 1.434 70.425 68.868 0.205 0.000 1.022 876 T HN -0.213 nan 8.240 nan 0.000 0.466 877 P HA 0.115 nan 4.420 nan 0.000 0.265 877 P C -0.463 177.123 177.300 0.476 0.000 1.187 877 P CA -0.059 63.135 63.100 0.156 0.000 0.766 877 P CB 0.145 31.941 31.700 0.161 0.000 0.820 878 H N 2.912 122.355 119.070 0.622 0.000 2.848 878 H HA 0.114 4.675 4.556 0.008 0.000 0.341 878 H C -1.922 173.750 175.328 0.573 0.000 1.060 878 H CA -1.877 54.467 56.048 0.493 0.000 1.444 878 H CB -0.814 29.159 29.762 0.352 0.000 1.446 878 H HN 0.309 nan 8.280 nan 0.000 0.583 879 P HA 0.044 nan 4.420 nan 0.000 0.272 879 P C 0.405 177.601 177.300 -0.172 0.000 1.223 879 P CA -0.194 62.917 63.100 0.018 0.000 0.784 879 P CB 0.672 32.235 31.700 -0.229 0.000 0.923 880 A N 3.206 125.698 122.820 -0.548 0.000 1.968 880 A HA -0.056 4.269 4.320 0.009 0.000 0.217 880 A C 1.074 178.286 177.584 -0.619 0.000 1.169 880 A CA 1.429 53.114 52.037 -0.587 0.000 0.638 880 A CB -0.513 17.950 19.000 -0.895 0.000 0.812 880 A HN 0.753 nan 8.150 nan 0.000 0.446 881 R N -2.956 117.206 120.500 -0.564 0.000 2.741 881 R HA 0.722 5.067 4.340 0.009 0.000 0.274 881 R C -1.946 174.102 176.300 -0.420 0.000 1.029 881 R CA -0.777 55.008 56.100 -0.526 0.000 0.880 881 R CB 0.560 30.487 30.300 -0.621 0.000 1.264 881 R HN 0.029 nan 8.270 nan 0.000 0.465 882 I N 1.000 121.355 120.570 -0.358 0.000 2.586 882 I HA 0.605 4.780 4.170 0.009 0.000 0.281 882 I C -0.614 175.288 176.117 -0.360 0.000 1.145 882 I CA -0.306 60.788 61.300 -0.342 0.000 1.073 882 I CB 1.864 39.721 38.000 -0.239 0.000 1.238 882 I HN 1.024 nan 8.210 nan 0.000 0.461 883 G N 5.677 114.216 108.800 -0.435 0.000 2.500 883 G HA2 0.692 4.657 3.960 0.009 0.000 0.299 883 G HA3 0.692 4.657 3.960 0.009 0.000 0.299 883 G C -1.903 172.834 174.900 -0.271 0.000 1.242 883 G CA -0.571 44.331 45.100 -0.330 0.000 0.859 883 G HN 0.288 nan 8.290 nan 0.000 0.481 884 L N 0.765 121.877 121.223 -0.185 0.000 2.309 884 L HA 0.713 5.059 4.340 0.009 0.000 0.261 884 L C -0.518 176.250 176.870 -0.170 0.000 1.021 884 L CA -1.095 53.646 54.840 -0.165 0.000 0.823 884 L CB 2.485 44.514 42.059 -0.050 0.000 1.366 884 L HN 0.853 nan 8.230 nan 0.000 0.423 885 N N 0.152 118.777 118.700 -0.123 0.000 2.732 885 N HA 0.738 5.483 4.740 0.009 0.000 0.259 885 N C -1.301 174.221 175.510 0.020 0.000 1.402 885 N CA -0.547 52.472 53.050 -0.051 0.000 0.829 885 N CB 2.259 40.745 38.487 -0.002 0.000 1.495 885 N HN 0.914 nan 8.380 nan 0.000 0.511 886 C N -1.903 117.444 119.300 0.079 0.000 3.292 886 C HA 0.572 5.037 4.460 0.009 0.000 0.338 886 C C -1.359 173.506 174.990 -0.209 0.000 1.323 886 C CA -0.850 58.169 59.018 0.002 0.000 1.232 886 C CB 0.887 28.634 27.740 0.012 0.000 1.517 886 C HN 0.899 nan 8.230 nan 0.000 0.470 887 Q N 1.440 120.934 119.800 -0.509 0.000 2.347 887 Q HA 0.683 5.029 4.340 0.009 0.000 0.262 887 Q C -1.007 174.719 176.000 -0.456 0.000 0.980 887 Q CA -0.478 54.786 55.803 -0.899 0.000 0.867 887 Q CB 0.881 28.726 28.738 -1.490 0.000 1.242 887 Q HN 0.759 nan 8.270 nan 0.000 0.453 888 L N 2.645 123.683 121.223 -0.309 0.000 2.436 888 L HA 0.321 4.667 4.340 0.009 0.000 0.265 888 L C 1.124 177.907 176.870 -0.145 0.000 1.168 888 L CA -0.206 54.557 54.840 -0.128 0.000 0.815 888 L CB 0.812 42.898 42.059 0.045 0.000 1.109 888 L HN 0.843 nan 8.230 nan 0.000 0.462 889 A N 1.399 124.163 122.820 -0.093 0.000 1.898 889 A HA -0.031 4.294 4.320 0.009 0.000 0.214 889 A C 1.025 178.581 177.584 -0.045 0.000 1.183 889 A CA 0.544 52.525 52.037 -0.093 0.000 0.622 889 A CB -0.211 18.729 19.000 -0.100 0.000 0.824 889 A HN 0.747 nan 8.150 nan 0.000 0.444 890 Q N -1.038 118.765 119.800 0.006 0.000 2.535 890 Q HA 0.493 4.838 4.340 0.009 0.000 0.228 890 Q C -0.746 175.269 176.000 0.025 0.000 1.062 890 Q CA 0.323 56.123 55.803 -0.005 0.000 0.967 890 Q CB 0.651 29.372 28.738 -0.029 0.000 1.273 890 Q HN 0.117 nan 8.270 nan 0.000 0.554 891 V N 0.555 120.450 119.914 -0.032 0.000 2.559 891 V HA 0.679 4.804 4.120 0.009 0.000 0.289 891 V C -0.989 175.058 176.094 -0.079 0.000 1.036 891 V CA -0.662 61.657 62.300 0.031 0.000 0.887 891 V CB 1.502 33.344 31.823 0.032 0.000 1.022 891 V HN 0.826 nan 8.190 nan 0.000 0.442 892 A N 2.904 125.607 122.820 -0.194 0.000 2.299 892 A HA 0.752 5.077 4.320 0.009 0.000 0.332 892 A C 0.789 178.408 177.584 0.058 0.000 1.131 892 A CA -0.324 51.581 52.037 -0.220 0.000 0.844 892 A CB 1.474 20.113 19.000 -0.601 0.000 1.251 892 A HN 0.831 nan 8.150 nan 0.000 0.486 893 E N -0.350 119.876 120.200 0.043 0.000 2.230 893 E HA 0.006 4.361 4.350 0.009 0.000 0.192 893 E C 0.273 176.959 176.600 0.143 0.000 0.987 893 E CA 0.518 56.970 56.400 0.088 0.000 0.841 893 E CB 0.170 29.898 29.700 0.046 0.000 0.783 893 E HN 0.546 nan 8.360 nan 0.000 0.481 894 R N -0.291 120.310 120.500 0.169 0.000 2.912 894 R HA 0.541 4.886 4.340 0.009 0.000 0.262 894 R C -1.149 175.349 176.300 0.329 0.000 1.057 894 R CA -0.859 55.368 56.100 0.211 0.000 0.981 894 R CB 2.383 32.773 30.300 0.150 0.000 1.201 894 R HN -0.150 nan 8.270 nan 0.000 0.484 895 V N 1.527 121.635 119.914 0.324 0.000 2.638 895 V HA 0.373 4.498 4.120 0.009 0.000 0.306 895 V C -0.645 175.710 176.094 0.435 0.000 1.052 895 V CA -0.960 61.568 62.300 0.380 0.000 0.885 895 V CB 2.026 34.026 31.823 0.295 0.000 0.999 895 V HN 0.706 nan 8.190 nan 0.000 0.424 896 N N 3.791 122.736 118.700 0.409 0.000 2.295 896 N HA 0.561 5.306 4.740 0.009 0.000 0.293 896 N C -1.459 174.317 175.510 0.443 0.000 1.040 896 N CA -0.469 52.795 53.050 0.357 0.000 0.840 896 N CB 2.877 41.463 38.487 0.166 0.000 1.468 896 N HN 0.833 nan 8.380 nan 0.000 0.478 897 W N 3.048 124.398 121.300 0.084 0.000 3.137 897 W HA 0.593 5.258 4.660 0.008 0.000 0.324 897 W C -2.077 174.429 176.519 -0.022 0.000 1.253 897 W CA -1.127 56.249 57.345 0.051 0.000 1.183 897 W CB 0.719 30.243 29.460 0.108 0.000 1.424 897 W HN 0.263 nan 8.180 nan 0.000 0.566 898 L N 4.200 125.417 121.223 -0.010 0.000 2.301 898 L HA 0.912 5.257 4.340 0.009 0.000 0.278 898 L C -0.028 176.718 176.870 -0.207 0.000 1.022 898 L CA 0.458 55.099 54.840 -0.331 0.000 0.854 898 L CB 0.621 42.546 42.059 -0.223 0.000 1.226 898 L HN 1.005 nan 8.230 nan 0.000 0.429 899 G N 3.771 112.374 108.800 -0.329 0.000 2.435 899 G HA2 0.228 4.194 3.960 0.009 0.000 0.228 899 G HA3 0.228 4.194 3.960 0.009 0.000 0.228 899 G C -1.545 173.492 174.900 0.229 0.000 1.198 899 G CA -0.951 44.185 45.100 0.061 0.000 0.948 899 G HN 0.414 nan 8.290 nan 0.000 0.487 900 L N 1.173 122.613 121.223 0.362 0.000 2.349 900 L HA 0.672 5.017 4.340 0.009 0.000 0.275 900 L C 0.973 177.909 176.870 0.110 0.000 1.115 900 L CA 0.442 55.413 54.840 0.219 0.000 0.820 900 L CB 0.740 42.852 42.059 0.089 0.000 1.135 900 L HN 1.158 nan 8.230 nan 0.000 0.445 901 G N 2.509 111.118 108.800 -0.319 0.000 2.348 901 G HA2 0.237 4.202 3.960 0.009 0.000 0.296 901 G HA3 0.237 4.202 3.960 0.009 0.000 0.296 901 G C -2.736 171.333 174.900 -1.385 0.000 1.258 901 G CA -0.259 44.352 45.100 -0.815 0.000 0.868 901 G HN 0.298 nan 8.290 nan 0.000 0.488 902 P HA 0.056 nan 4.420 nan 0.000 0.222 902 P C 0.477 177.572 177.300 -0.343 0.000 1.153 902 P CA 0.872 63.313 63.100 -1.098 0.000 0.798 902 P CB 0.030 31.306 31.700 -0.707 0.000 0.796 903 Q N 0.585 120.183 119.800 -0.336 0.000 2.382 903 Q HA 0.186 4.531 4.340 0.009 0.000 0.229 903 Q C 0.377 176.249 176.000 -0.213 0.000 1.006 903 Q CA -0.682 54.995 55.803 -0.210 0.000 0.916 903 Q CB -0.079 28.558 28.738 -0.168 0.000 1.235 903 Q HN 0.108 nan 8.270 nan 0.000 0.512 904 E N 1.046 121.131 120.200 -0.191 0.000 2.558 904 E HA -0.096 4.259 4.350 0.009 0.000 0.255 904 E C -1.116 175.389 176.600 -0.160 0.000 0.968 904 E CA 0.214 56.490 56.400 -0.206 0.000 0.939 904 E CB 0.118 29.761 29.700 -0.097 0.000 0.921 904 E HN 0.724 nan 8.360 nan 0.000 0.477 905 N N 3.116 121.634 118.700 -0.303 0.000 2.336 905 N HA 0.290 5.036 4.740 0.009 0.000 0.290 905 N C -1.801 173.447 175.510 -0.438 0.000 1.058 905 N CA -0.679 52.240 53.050 -0.219 0.000 0.865 905 N CB 0.771 39.157 38.487 -0.169 0.000 1.581 905 N HN 0.210 nan 8.380 nan 0.000 0.480 906 Y N 0.638 120.835 120.300 -0.172 0.000 2.631 906 Y HA 0.526 5.081 4.550 0.008 0.000 0.328 906 Y C -1.523 174.279 175.900 -0.163 0.000 1.118 906 Y CA -2.154 55.831 58.100 -0.191 0.000 1.206 906 Y CB 1.326 39.678 38.460 -0.180 0.000 1.337 906 Y HN 0.435 nan 8.280 nan 0.000 0.515 907 P HA -0.120 nan 4.420 nan 0.000 0.217 907 P C 0.219 177.329 177.300 -0.316 0.000 1.150 907 P CA 1.852 64.908 63.100 -0.073 0.000 0.832 907 P CB 0.197 31.926 31.700 0.049 0.000 0.787 908 D N -2.031 118.030 120.400 -0.565 0.000 2.388 908 D HA 0.039 4.684 4.640 0.009 0.000 0.221 908 D C 0.610 176.757 176.300 -0.255 0.000 1.133 908 D CA -0.072 53.423 54.000 -0.842 0.000 0.831 908 D CB -0.198 39.807 40.800 -1.325 0.000 0.962 908 D HN 0.091 nan 8.370 nan 0.000 0.502 909 R N 1.035 121.469 120.500 -0.111 0.000 2.640 909 R HA 0.177 4.522 4.340 0.009 0.000 0.240 909 R C -0.644 175.673 176.300 0.028 0.000 1.519 909 R CA -0.106 55.997 56.100 0.005 0.000 1.570 909 R CB 0.104 30.419 30.300 0.026 0.000 1.446 909 R HN 0.100 nan 8.270 nan 0.000 0.738 910 L N -2.198 119.046 121.223 0.035 0.000 3.386 910 L HA 0.318 4.663 4.340 0.009 0.000 0.307 910 L C 1.417 178.335 176.870 0.081 0.000 1.235 910 L CA 0.081 54.943 54.840 0.036 0.000 1.056 910 L CB 0.120 42.181 42.059 0.003 0.000 1.453 910 L HN 0.059 nan 8.230 nan 0.000 0.615 911 T N -2.265 112.365 114.554 0.127 0.000 2.881 911 T HA -0.046 4.310 4.350 0.009 0.000 0.270 911 T C 1.704 176.503 174.700 0.165 0.000 1.068 911 T CA 1.366 63.572 62.100 0.176 0.000 1.131 911 T CB -0.309 68.701 68.868 0.236 0.000 0.871 911 T HN 0.410 nan 8.240 nan 0.000 0.479 912 A N 1.089 124.009 122.820 0.166 0.000 2.206 912 A HA 0.683 5.008 4.320 0.009 0.000 0.211 912 A C 1.450 179.130 177.584 0.161 0.000 1.158 912 A CA 0.375 52.471 52.037 0.098 0.000 0.761 912 A CB -0.730 18.415 19.000 0.242 0.000 0.801 912 A HN 0.834 nan 8.150 nan 0.000 0.473 913 A N -1.135 121.724 122.820 0.065 0.000 2.302 913 A HA 0.528 4.853 4.320 0.009 0.000 0.285 913 A C -0.150 177.446 177.584 0.020 0.000 1.105 913 A CA -0.296 51.732 52.037 -0.015 0.000 0.816 913 A CB 0.229 19.193 19.000 -0.060 0.000 1.067 913 A HN 0.410 nan 8.150 nan 0.000 0.489 914 C N 0.510 119.803 119.300 -0.012 0.000 2.493 914 C HA 0.564 5.029 4.460 0.009 0.000 0.326 914 C C -0.173 174.933 174.990 0.195 0.000 1.200 914 C CA -0.489 58.577 59.018 0.081 0.000 1.739 914 C CB 0.656 28.447 27.740 0.086 0.000 2.300 914 C HN 0.775 nan 8.230 nan 0.000 0.500 915 F N 3.773 123.587 119.950 -0.226 0.000 2.445 915 F HA 0.520 5.052 4.527 0.009 0.000 0.359 915 F C 0.349 175.888 175.800 -0.435 0.000 1.101 915 F CA 1.159 58.920 58.000 -0.397 0.000 1.177 915 F CB 0.017 38.330 39.000 -1.145 0.000 1.110 915 F HN 0.654 nan 8.300 nan 0.000 0.522 916 D N 3.348 123.139 120.400 -1.014 0.000 2.918 916 D HA 0.125 4.771 4.640 0.009 0.000 0.342 916 D C -1.667 173.688 176.300 -1.575 0.000 1.403 916 D CA -0.755 52.505 54.000 -1.233 0.000 0.776 916 D CB 1.209 41.271 40.800 -1.231 0.000 1.365 916 D HN 0.553 nan 8.370 nan 0.000 0.468 917 R N 0.802 120.438 120.500 -1.439 0.000 2.207 917 R HA 0.537 4.882 4.340 0.009 0.000 0.334 917 R C -1.193 174.254 176.300 -1.421 0.000 1.013 917 R CA -0.334 55.068 56.100 -1.163 0.000 0.858 917 R CB 0.382 30.276 30.300 -0.677 0.000 1.094 917 R HN 0.263 nan 8.270 nan 0.000 0.457 918 W N 2.814 123.547 121.300 -0.944 0.000 2.689 918 W HA 0.387 5.052 4.660 0.009 0.000 0.340 918 W C -0.455 175.683 176.519 -0.636 0.000 1.060 918 W CA -0.676 56.092 57.345 -0.962 0.000 1.218 918 W CB 1.587 29.973 29.460 -1.790 0.000 1.410 918 W HN 0.358 nan 8.180 nan 0.000 0.528 919 D N 2.972 123.317 120.400 -0.092 0.000 2.686 919 D HA 0.552 5.198 4.640 0.009 0.000 0.249 919 D C -1.372 175.020 176.300 0.153 0.000 1.260 919 D CA -0.149 53.888 54.000 0.063 0.000 0.910 919 D CB 1.146 41.949 40.800 0.006 0.000 1.323 919 D HN 0.430 nan 8.370 nan 0.000 0.561 920 L N 2.742 124.127 121.223 0.270 0.000 2.409 920 L HA 0.528 4.874 4.340 0.009 0.000 0.255 920 L C -2.493 174.501 176.870 0.208 0.000 1.027 920 L CA -2.183 52.792 54.840 0.225 0.000 0.834 920 L CB 2.590 44.805 42.059 0.261 0.000 1.426 920 L HN 0.164 nan 8.230 nan 0.000 0.411 921 P HA 0.073 nan 4.420 nan 0.000 0.271 921 P C 0.502 177.884 177.300 0.138 0.000 1.216 921 P CA -0.342 62.837 63.100 0.132 0.000 0.776 921 P CB 0.862 32.619 31.700 0.095 0.000 0.881 922 L N 3.875 125.185 121.223 0.146 0.000 2.051 922 L HA -0.265 4.080 4.340 0.009 0.000 0.214 922 L C 2.350 179.279 176.870 0.098 0.000 1.076 922 L CA 2.727 57.642 54.840 0.124 0.000 0.758 922 L CB -1.546 40.602 42.059 0.148 0.000 0.890 922 L HN 0.483 nan 8.230 nan 0.000 0.433 923 S N -1.379 114.380 115.700 0.099 0.000 2.402 923 S HA -0.221 4.254 4.470 0.009 0.000 0.233 923 S C 1.617 176.286 174.600 0.114 0.000 1.030 923 S CA 1.559 59.824 58.200 0.109 0.000 1.003 923 S CB -0.715 62.538 63.200 0.088 0.000 0.813 923 S HN 0.585 nan 8.310 nan 0.000 0.477 924 D N 1.050 121.500 120.400 0.083 0.000 2.347 924 D HA 0.114 4.759 4.640 0.009 0.000 0.215 924 D C 1.338 177.648 176.300 0.017 0.000 0.976 924 D CA 0.579 54.608 54.000 0.048 0.000 0.884 924 D CB -0.117 40.716 40.800 0.055 0.000 0.915 924 D HN 0.487 nan 8.370 nan 0.000 0.526 925 M N -0.321 119.299 119.600 0.033 0.000 2.568 925 M HA 0.089 4.574 4.480 0.009 0.000 0.226 925 M C -0.143 176.170 176.300 0.022 0.000 1.148 925 M CA 0.001 55.279 55.300 -0.037 0.000 1.007 925 M CB -0.756 31.801 32.600 -0.072 0.000 1.651 925 M HN -0.056 nan 8.290 nan 0.000 0.488 926 Y N 0.215 120.475 120.300 -0.067 0.000 2.391 926 Y HA 0.475 5.031 4.550 0.009 0.000 0.341 926 Y C -0.863 174.962 175.900 -0.124 0.000 0.965 926 Y CA -0.828 57.237 58.100 -0.057 0.000 1.067 926 Y CB 1.462 39.951 38.460 0.049 0.000 1.199 926 Y HN -0.098 nan 8.280 nan 0.000 0.450 927 T N 8.949 123.010 114.554 -0.822 0.000 2.770 927 T HA 0.270 4.625 4.350 0.009 0.000 0.297 927 T C -2.628 171.235 174.700 -1.394 0.000 0.997 927 T CA -1.505 59.999 62.100 -0.994 0.000 0.949 927 T CB 0.949 69.303 68.868 -0.856 0.000 0.941 927 T HN 0.448 nan 8.240 nan 0.000 0.457 928 P HA 0.083 nan 4.420 nan 0.000 0.238 928 P C -0.593 176.555 177.300 -0.254 0.000 1.714 928 P CA -0.375 62.294 63.100 -0.718 0.000 0.908 928 P CB -0.876 30.569 31.700 -0.426 0.000 1.893 929 Y N -0.297 119.899 120.300 -0.173 0.000 2.729 929 Y HA -0.093 4.463 4.550 0.009 0.000 0.331 929 Y C 2.227 178.158 175.900 0.051 0.000 1.208 929 Y CA -0.606 57.464 58.100 -0.049 0.000 1.521 929 Y CB 0.419 38.802 38.460 -0.128 0.000 1.233 929 Y HN -0.110 nan 8.280 nan 0.000 0.539 930 V N 4.098 124.213 119.914 0.334 0.000 2.370 930 V HA -0.336 3.789 4.120 0.009 0.000 0.252 930 V C 0.640 176.900 176.094 0.276 0.000 1.068 930 V CA 1.618 64.099 62.300 0.302 0.000 1.061 930 V CB -0.644 31.395 31.823 0.360 0.000 0.656 930 V HN 0.631 nan 8.190 nan 0.000 0.455 931 F N 3.395 123.396 119.950 0.085 0.000 2.303 931 F HA 0.513 5.045 4.527 0.009 0.000 0.368 931 F C -2.332 173.472 175.800 0.007 0.000 1.105 931 F CA -3.379 54.627 58.000 0.010 0.000 1.153 931 F CB 0.617 39.535 39.000 -0.136 0.000 1.362 931 F HN 0.001 nan 8.300 nan 0.000 0.511 932 P HA 0.128 nan 4.420 nan 0.000 0.265 932 P C -0.814 176.220 177.300 -0.443 0.000 1.187 932 P CA 0.295 63.186 63.100 -0.349 0.000 0.766 932 P CB 1.111 32.626 31.700 -0.308 0.000 0.820 933 S N 0.174 115.789 115.700 -0.143 0.000 2.661 933 S HA 0.415 4.890 4.470 0.009 0.000 0.268 933 S C -0.885 173.717 174.600 0.003 0.000 1.162 933 S CA -0.996 57.164 58.200 -0.067 0.000 0.817 933 S CB 0.523 63.724 63.200 0.000 0.000 1.141 933 S HN 0.365 nan 8.310 nan 0.000 0.477 934 E N 1.129 121.339 120.200 0.016 0.000 2.529 934 E HA 0.365 4.720 4.350 0.009 0.000 0.259 934 E C -0.113 176.541 176.600 0.090 0.000 0.966 934 E CA 0.864 57.295 56.400 0.052 0.000 0.937 934 E CB -0.245 29.506 29.700 0.086 0.000 0.923 934 E HN 0.795 nan 8.360 nan 0.000 0.468 935 N N 1.557 120.337 118.700 0.133 0.000 3.116 935 N HA 0.508 5.253 4.740 0.009 0.000 0.244 935 N C 0.269 175.824 175.510 0.074 0.000 1.485 935 N CA -0.592 52.573 53.050 0.192 0.000 0.884 935 N CB 0.848 39.436 38.487 0.167 0.000 1.415 935 N HN 0.685 nan 8.380 nan 0.000 0.524 936 G N -1.309 107.496 108.800 0.009 0.000 2.179 936 G HA2 -0.272 3.693 3.960 0.009 0.000 0.260 936 G HA3 -0.272 3.693 3.960 0.009 0.000 0.260 936 G C -0.130 174.517 174.900 -0.422 0.000 0.977 936 G CA 0.360 45.349 45.100 -0.185 0.000 0.641 936 G HN 0.687 nan 8.290 nan 0.000 0.533 937 L N 1.225 122.132 121.223 -0.527 0.000 2.529 937 L HA 0.400 4.745 4.340 0.009 0.000 0.287 937 L C 0.891 177.184 176.870 -0.962 0.000 1.241 937 L CA 0.662 54.946 54.840 -0.928 0.000 0.857 937 L CB 0.353 41.548 42.059 -1.439 0.000 1.113 937 L HN 0.345 nan 8.230 nan 0.000 0.504 938 R N 3.816 123.666 120.500 -1.084 0.000 2.502 938 R HA 0.440 4.785 4.340 0.009 0.000 0.300 938 R C -1.036 174.884 176.300 -0.634 0.000 0.984 938 R CA -0.703 54.874 56.100 -0.872 0.000 0.882 938 R CB 0.747 30.496 30.300 -0.918 0.000 1.180 938 R HN 0.575 nan 8.270 nan 0.000 0.444 939 C N -0.090 118.977 119.300 -0.389 0.000 2.352 939 C HA 0.626 5.091 4.460 0.009 0.000 0.387 939 C C 1.571 176.510 174.990 -0.084 0.000 1.294 939 C CA 0.271 59.145 59.018 -0.240 0.000 2.137 939 C CB 0.730 28.357 27.740 -0.189 0.000 2.146 939 C HN 1.074 nan 8.230 nan 0.000 0.559 940 G N 1.601 110.367 108.800 -0.056 0.000 2.341 940 G HA2 -0.195 3.771 3.960 0.009 0.000 0.292 940 G HA3 -0.195 3.771 3.960 0.009 0.000 0.292 940 G C -0.020 174.916 174.900 0.061 0.000 1.021 940 G CA 0.604 45.724 45.100 0.033 0.000 0.905 940 G HN 0.826 nan 8.290 nan 0.000 0.508 941 T N -0.520 113.930 114.554 -0.173 0.000 2.869 941 T HA 0.449 4.804 4.350 0.009 0.000 0.295 941 T C 1.574 175.993 174.700 -0.469 0.000 0.987 941 T CA -0.222 61.725 62.100 -0.255 0.000 1.109 941 T CB 1.303 69.977 68.868 -0.323 0.000 0.932 941 T HN 0.374 nan 8.240 nan 0.000 0.518 942 R N 1.097 121.543 120.500 -0.090 0.000 2.279 942 R HA 0.233 4.578 4.340 0.009 0.000 0.195 942 R C 0.439 176.828 176.300 0.148 0.000 0.905 942 R CA 0.174 56.304 56.100 0.050 0.000 1.044 942 R CB 0.773 31.210 30.300 0.229 0.000 1.056 942 R HN 0.695 nan 8.270 nan 0.000 0.535 943 E N 0.849 121.137 120.200 0.148 0.000 2.388 943 E HA 0.245 4.601 4.350 0.009 0.000 0.289 943 E C -2.083 174.679 176.600 0.270 0.000 0.944 943 E CA -0.606 55.945 56.400 0.251 0.000 0.792 943 E CB 1.594 31.400 29.700 0.177 0.000 1.239 943 E HN -0.067 nan 8.360 nan 0.000 0.412 944 L N 3.755 125.182 121.223 0.341 0.000 2.408 944 L HA 0.654 4.999 4.340 0.009 0.000 0.268 944 L C -1.913 175.179 176.870 0.369 0.000 0.986 944 L CA -0.375 54.611 54.840 0.242 0.000 0.820 944 L CB 2.044 44.065 42.059 -0.063 0.000 1.303 944 L HN 0.537 nan 8.230 nan 0.000 0.411 945 N N 4.023 122.911 118.700 0.313 0.000 2.399 945 N HA 0.398 5.143 4.740 0.009 0.000 0.284 945 N C -2.075 173.684 175.510 0.415 0.000 1.025 945 N CA -0.240 53.003 53.050 0.322 0.000 0.885 945 N CB 2.127 40.736 38.487 0.203 0.000 1.339 945 N HN 0.609 nan 8.380 nan 0.000 0.487 946 Y N 1.233 121.713 120.300 0.300 0.000 2.362 946 Y HA 0.412 4.967 4.550 0.009 0.000 0.326 946 Y C 0.762 176.804 175.900 0.236 0.000 1.083 946 Y CA 0.118 58.378 58.100 0.265 0.000 1.073 946 Y CB 0.836 39.489 38.460 0.321 0.000 1.211 946 Y HN 0.826 nan 8.280 nan 0.000 0.433 947 G N 6.411 115.132 108.800 -0.131 0.000 2.622 947 G HA2 -0.310 3.655 3.960 0.009 0.000 0.307 947 G HA3 -0.310 3.655 3.960 0.009 0.000 0.307 947 G C -1.726 173.108 174.900 -0.110 0.000 1.226 947 G CA 0.280 45.274 45.100 -0.177 0.000 0.997 947 G HN 0.587 nan 8.290 nan 0.000 0.551 948 P HA 0.206 nan 4.420 nan 0.000 0.255 948 P C 0.116 177.136 177.300 -0.467 0.000 1.248 948 P CA 0.633 63.534 63.100 -0.333 0.000 0.807 948 P CB -0.016 31.411 31.700 -0.455 0.000 1.150 949 H N 0.039 119.053 119.070 -0.093 0.000 2.502 949 H HA 0.548 5.110 4.556 0.009 0.000 0.338 949 H C 0.219 175.288 175.328 -0.432 0.000 1.155 949 H CA -0.397 55.448 56.048 -0.337 0.000 1.237 949 H CB 1.295 30.640 29.762 -0.696 0.000 1.534 949 H HN -0.082 nan 8.280 nan 0.000 0.523 950 Q N 2.856 122.386 119.800 -0.449 0.000 2.271 950 Q HA 0.233 4.579 4.340 0.009 0.000 0.268 950 Q C -1.859 173.954 176.000 -0.311 0.000 1.021 950 Q CA -0.759 54.916 55.803 -0.213 0.000 0.802 950 Q CB 1.669 30.403 28.738 -0.006 0.000 1.282 950 Q HN 0.622 nan 8.270 nan 0.000 0.431 951 W N 3.805 125.082 121.300 -0.039 0.000 2.666 951 W HA 0.615 5.280 4.660 0.009 0.000 0.334 951 W C -0.153 176.427 176.519 0.102 0.000 1.051 951 W CA -0.890 56.397 57.345 -0.097 0.000 1.224 951 W CB 2.080 31.299 29.460 -0.403 0.000 1.405 951 W HN 0.546 nan 8.180 nan 0.000 0.513 952 R N 0.818 121.542 120.500 0.374 0.000 2.686 952 R HA 0.760 5.105 4.340 0.009 0.000 0.283 952 R C 0.074 176.623 176.300 0.416 0.000 0.978 952 R CA -0.582 55.754 56.100 0.394 0.000 0.897 952 R CB 2.340 32.794 30.300 0.256 0.000 1.192 952 R HN 0.772 nan 8.270 nan 0.000 0.457 953 G N 0.950 110.031 108.800 0.469 0.000 2.491 953 G HA2 -0.051 3.914 3.960 0.009 0.000 0.183 953 G HA3 -0.051 3.914 3.960 0.009 0.000 0.183 953 G C -1.834 173.253 174.900 0.312 0.000 1.221 953 G CA -0.507 44.832 45.100 0.399 0.000 0.996 953 G HN 0.479 nan 8.290 nan 0.000 0.474 954 D N 0.580 121.163 120.400 0.305 0.000 2.420 954 D HA 0.631 5.276 4.640 0.009 0.000 0.255 954 D C -0.928 175.438 176.300 0.110 0.000 1.185 954 D CA -0.261 53.803 54.000 0.107 0.000 0.904 954 D CB 0.728 41.576 40.800 0.081 0.000 1.102 954 D HN 0.524 nan 8.370 nan 0.000 0.534 955 F N 0.196 120.131 119.950 -0.025 0.000 2.779 955 F HA 0.541 5.073 4.527 0.009 0.000 0.316 955 F C -1.286 174.464 175.800 -0.084 0.000 1.164 955 F CA -1.087 56.834 58.000 -0.132 0.000 0.924 955 F CB 0.753 39.670 39.000 -0.139 0.000 1.348 955 F HN -0.157 nan 8.300 nan 0.000 0.467 956 Q N 1.810 121.636 119.800 0.043 0.000 2.301 956 Q HA 0.682 5.027 4.340 0.009 0.000 0.267 956 Q C -1.135 174.943 176.000 0.131 0.000 1.035 956 Q CA -0.543 55.215 55.803 -0.076 0.000 0.856 956 Q CB 2.609 31.218 28.738 -0.215 0.000 1.337 956 Q HN 0.859 nan 8.270 nan 0.000 0.450 957 F N -1.129 118.708 119.950 -0.188 0.000 2.711 957 F HA 0.772 5.305 4.527 0.009 0.000 0.313 957 F C -1.592 173.998 175.800 -0.349 0.000 1.141 957 F CA -1.070 56.798 58.000 -0.220 0.000 0.941 957 F CB 1.741 40.657 39.000 -0.139 0.000 1.349 957 F HN 0.598 nan 8.300 nan 0.000 0.464 958 N N 1.188 119.762 118.700 -0.209 0.000 2.484 958 N HA 0.666 5.411 4.740 0.009 0.000 0.269 958 N C -2.272 173.209 175.510 -0.048 0.000 1.237 958 N CA -0.678 52.195 53.050 -0.296 0.000 0.838 958 N CB 2.422 40.713 38.487 -0.326 0.000 1.593 958 N HN 1.170 nan 8.380 nan 0.000 0.485 959 I N 0.822 121.348 120.570 -0.072 0.000 2.627 959 I HA 0.661 4.836 4.170 0.009 0.000 0.288 959 I C -1.357 174.717 176.117 -0.071 0.000 1.202 959 I CA 0.067 61.311 61.300 -0.093 0.000 1.050 959 I CB 1.173 39.063 38.000 -0.184 0.000 1.264 959 I HN 1.035 nan 8.210 nan 0.000 0.429 960 S N 6.415 122.105 115.700 -0.017 0.000 2.929 960 S HA 0.593 5.069 4.470 0.009 0.000 0.311 960 S C -0.264 174.300 174.600 -0.059 0.000 1.213 960 S CA -0.962 57.235 58.200 -0.006 0.000 0.908 960 S CB 1.660 64.943 63.200 0.139 0.000 1.287 960 S HN 0.618 nan 8.310 nan 0.000 0.594 961 R N 0.145 120.447 120.500 -0.330 0.000 2.609 961 R HA 0.330 4.675 4.340 0.009 0.000 0.326 961 R C -1.281 174.613 176.300 -0.677 0.000 1.090 961 R CA 0.116 55.941 56.100 -0.458 0.000 1.072 961 R CB -0.760 29.146 30.300 -0.656 0.000 1.330 961 R HN 0.629 nan 8.270 nan 0.000 0.572 962 Y N -0.076 120.257 120.300 0.056 0.000 2.373 962 Y HA 0.214 4.769 4.550 0.009 0.000 0.336 962 Y C 0.640 176.296 175.900 -0.406 0.000 0.979 962 Y CA -1.118 56.917 58.100 -0.107 0.000 1.080 962 Y CB 1.544 39.896 38.460 -0.179 0.000 1.190 962 Y HN -0.053 nan 8.280 nan 0.000 0.446 963 S N 1.638 116.991 115.700 -0.578 0.000 2.593 963 S HA 0.059 4.534 4.470 0.009 0.000 0.269 963 S C 0.939 175.219 174.600 -0.532 0.000 1.334 963 S CA -0.658 56.831 58.200 -1.184 0.000 1.015 963 S CB 1.127 63.711 63.200 -1.028 0.000 0.912 963 S HN 0.758 nan 8.310 nan 0.000 0.541 964 Q N 0.659 120.146 119.800 -0.520 0.000 2.096 964 Q HA -0.213 4.132 4.340 0.009 0.000 0.204 964 Q C 2.221 178.102 176.000 -0.199 0.000 0.982 964 Q CA 1.907 57.551 55.803 -0.265 0.000 0.850 964 Q CB -0.534 28.080 28.738 -0.207 0.000 0.901 964 Q HN 0.916 nan 8.270 nan 0.000 0.422 965 Q N 0.449 120.114 119.800 -0.226 0.000 2.061 965 Q HA -0.214 4.132 4.340 0.009 0.000 0.204 965 Q C 2.142 178.066 176.000 -0.128 0.000 0.984 965 Q CA 1.403 57.121 55.803 -0.141 0.000 0.846 965 Q CB 0.012 28.685 28.738 -0.109 0.000 0.902 965 Q HN 0.399 nan 8.270 nan 0.000 0.421 966 Q N 0.061 119.776 119.800 -0.141 0.000 2.096 966 Q HA -0.184 4.162 4.340 0.009 0.000 0.204 966 Q C 2.199 178.118 176.000 -0.135 0.000 0.982 966 Q CA 1.171 56.916 55.803 -0.097 0.000 0.850 966 Q CB -0.064 28.655 28.738 -0.031 0.000 0.901 966 Q HN 0.442 nan 8.270 nan 0.000 0.422 967 L N -0.053 121.078 121.223 -0.153 0.000 2.017 967 L HA -0.216 4.129 4.340 0.009 0.000 0.208 967 L C 2.684 179.428 176.870 -0.210 0.000 1.073 967 L CA 1.248 55.976 54.840 -0.187 0.000 0.745 967 L CB -0.376 41.598 42.059 -0.141 0.000 0.894 967 L HN 0.386 nan 8.230 nan 0.000 0.432 968 M N 0.057 119.563 119.600 -0.156 0.000 2.279 968 M HA -0.207 4.278 4.480 0.009 0.000 0.264 968 M C 1.551 177.772 176.300 -0.131 0.000 1.062 968 M CA 1.751 56.970 55.300 -0.135 0.000 1.099 968 M CB 0.046 32.580 32.600 -0.110 0.000 1.394 968 M HN 0.256 nan 8.290 nan 0.000 0.426 969 E N -1.559 118.566 120.200 -0.125 0.000 2.481 969 E HA 0.117 4.472 4.350 0.009 0.000 0.198 969 E C -0.325 176.213 176.600 -0.102 0.000 1.027 969 E CA 0.003 56.348 56.400 -0.092 0.000 0.900 969 E CB 0.223 29.886 29.700 -0.061 0.000 0.993 969 E HN 0.203 nan 8.360 nan 0.000 0.482 970 T N 0.949 115.405 114.554 -0.162 0.000 2.758 970 T HA 0.142 4.498 4.350 0.009 0.000 0.285 970 T C 1.056 175.645 174.700 -0.186 0.000 0.981 970 T CA -0.451 61.547 62.100 -0.170 0.000 0.965 970 T CB 1.640 70.376 68.868 -0.220 0.000 0.927 970 T HN 0.149 nan 8.240 nan 0.000 0.448 971 S N 2.273 117.964 115.700 -0.014 0.000 2.406 971 S HA -0.034 4.442 4.470 0.009 0.000 0.228 971 S C 0.401 175.111 174.600 0.183 0.000 1.020 971 S CA 0.662 58.963 58.200 0.169 0.000 0.965 971 S CB -0.322 63.107 63.200 0.381 0.000 0.798 971 S HN 0.763 nan 8.310 nan 0.000 0.488 972 H N 0.094 119.124 119.070 -0.065 0.000 2.821 972 H HA 0.559 5.120 4.556 0.009 0.000 0.373 972 H C 0.936 176.198 175.328 -0.110 0.000 1.165 972 H CA -0.903 55.160 56.048 0.025 0.000 1.154 972 H CB 1.293 31.147 29.762 0.152 0.000 1.765 972 H HN 0.146 nan 8.280 nan 0.000 0.549 973 R N 0.981 121.580 120.500 0.165 0.000 2.148 973 R HA -0.126 4.219 4.340 0.009 0.000 0.227 973 R C 1.183 177.474 176.300 -0.014 0.000 1.103 973 R CA 1.589 57.710 56.100 0.036 0.000 0.983 973 R CB -0.421 29.949 30.300 0.116 0.000 0.874 973 R HN 0.763 nan 8.270 nan 0.000 0.451 974 H N 1.230 120.304 119.070 0.007 0.000 2.545 974 H HA 0.017 4.579 4.556 0.009 0.000 0.282 974 H C 1.330 176.540 175.328 -0.196 0.000 1.020 974 H CA 0.780 56.787 56.048 -0.069 0.000 1.243 974 H CB -0.075 29.669 29.762 -0.030 0.000 1.377 974 H HN 0.324 nan 8.280 nan 0.000 0.581 975 L N 0.948 121.738 121.223 -0.721 0.000 2.607 975 L HA 0.236 4.581 4.340 0.009 0.000 0.228 975 L C 0.591 177.005 176.870 -0.760 0.000 1.123 975 L CA -0.159 54.256 54.840 -0.709 0.000 0.890 975 L CB 0.153 41.819 42.059 -0.654 0.000 1.103 975 L HN 0.044 nan 8.230 nan 0.000 0.468 976 L N -0.308 120.579 121.223 -0.560 0.000 2.417 976 L HA 0.179 4.524 4.340 0.009 0.000 0.268 976 L C -0.387 176.203 176.870 -0.468 0.000 1.158 976 L CA -0.063 54.484 54.840 -0.489 0.000 0.819 976 L CB 0.472 42.225 42.059 -0.510 0.000 1.112 976 L HN 0.132 nan 8.230 nan 0.000 0.458 977 H N 0.524 119.662 119.070 0.113 0.000 2.600 977 H HA 0.515 5.076 4.556 0.009 0.000 0.357 977 H C -0.238 175.173 175.328 0.139 0.000 1.106 977 H CA -0.906 55.207 56.048 0.107 0.000 1.193 977 H CB 1.669 31.447 29.762 0.026 0.000 1.594 977 H HN 0.753 nan 8.280 nan 0.000 0.526 978 A N 2.784 125.684 122.820 0.134 0.000 2.511 978 A HA 0.090 4.415 4.320 0.009 0.000 0.242 978 A C 0.237 177.784 177.584 -0.061 0.000 1.069 978 A CA -0.281 51.659 52.037 -0.162 0.000 0.763 978 A CB 0.086 18.992 19.000 -0.157 0.000 1.001 978 A HN 0.799 nan 8.150 nan 0.000 0.498 979 E N 1.048 121.197 120.200 -0.086 0.000 2.322 979 E HA 0.109 4.464 4.350 0.009 0.000 0.257 979 E C 0.582 177.164 176.600 -0.030 0.000 1.155 979 E CA -0.538 55.879 56.400 0.028 0.000 0.936 979 E CB 0.632 30.459 29.700 0.212 0.000 1.130 979 E HN 0.820 nan 8.360 nan 0.000 0.465 980 E N 0.140 120.321 120.200 -0.031 0.000 2.065 980 E HA -0.235 4.120 4.350 0.009 0.000 0.201 980 E C 0.944 177.483 176.600 -0.101 0.000 1.016 980 E CA 1.739 58.097 56.400 -0.070 0.000 0.818 980 E CB 0.025 29.688 29.700 -0.062 0.000 0.749 980 E HN 0.564 nan 8.360 nan 0.000 0.453 981 G N -1.585 107.115 108.800 -0.166 0.000 3.392 981 G HA2 0.265 4.231 3.960 0.009 0.000 0.185 981 G HA3 0.265 4.231 3.960 0.009 0.000 0.185 981 G C -0.736 174.082 174.900 -0.136 0.000 1.206 981 G CA -0.202 44.813 45.100 -0.141 0.000 0.776 981 G HN 0.068 nan 8.290 nan 0.000 0.697 982 T N 0.616 115.088 114.554 -0.137 0.000 2.812 982 T HA 0.379 4.734 4.350 0.009 0.000 0.282 982 T C -1.513 173.066 174.700 -0.201 0.000 0.990 982 T CA -0.098 61.951 62.100 -0.085 0.000 0.960 982 T CB 1.440 70.369 68.868 0.102 0.000 0.948 982 T HN 0.306 nan 8.240 nan 0.000 0.438 983 W N 3.462 124.689 121.300 -0.122 0.000 2.322 983 W HA 0.593 5.258 4.660 0.009 0.000 0.307 983 W C -0.280 176.134 176.519 -0.175 0.000 1.220 983 W CA -0.702 56.569 57.345 -0.125 0.000 1.210 983 W CB 0.754 30.150 29.460 -0.107 0.000 1.223 983 W HN 0.375 nan 8.180 nan 0.000 0.511 984 L N 5.760 127.040 121.223 0.094 0.000 2.356 984 L HA 0.517 4.863 4.340 0.009 0.000 0.277 984 L C -1.016 175.793 176.870 -0.102 0.000 0.996 984 L CA -0.409 54.359 54.840 -0.121 0.000 0.822 984 L CB 0.984 42.827 42.059 -0.361 0.000 1.256 984 L HN 0.325 nan 8.230 nan 0.000 0.413 985 N N 7.022 125.642 118.700 -0.134 0.000 2.399 985 N HA 0.505 5.251 4.740 0.009 0.000 0.280 985 N C -1.306 174.092 175.510 -0.188 0.000 1.008 985 N CA -0.315 52.648 53.050 -0.145 0.000 0.894 985 N CB 2.438 40.859 38.487 -0.109 0.000 1.273 985 N HN 0.519 nan 8.380 nan 0.000 0.486 986 I N 1.716 122.132 120.570 -0.257 0.000 2.410 986 I HA 0.246 4.421 4.170 0.009 0.000 0.286 986 I C -0.769 175.195 176.117 -0.256 0.000 1.009 986 I CA -0.577 60.542 61.300 -0.302 0.000 1.111 986 I CB 1.784 39.439 38.000 -0.575 0.000 1.262 986 I HN 0.183 nan 8.210 nan 0.000 0.443 987 D N 4.496 124.789 120.400 -0.178 0.000 2.217 987 D HA 0.298 4.944 4.640 0.009 0.000 0.243 987 D C 0.975 177.018 176.300 -0.428 0.000 1.054 987 D CA -0.191 53.642 54.000 -0.278 0.000 0.838 987 D CB 2.647 43.370 40.800 -0.128 0.000 1.162 987 D HN 0.711 nan 8.370 nan 0.000 0.472 988 G N 1.270 109.543 108.800 -0.879 0.000 2.408 988 G HA2 0.009 3.974 3.960 0.009 0.000 0.215 988 G HA3 0.009 3.974 3.960 0.009 0.000 0.215 988 G C 0.067 174.199 174.900 -1.281 0.000 1.156 988 G CA 0.552 44.887 45.100 -1.275 0.000 0.793 988 G HN 0.379 nan 8.290 nan 0.000 0.535 989 F N -1.642 118.087 119.950 -0.368 0.000 2.619 989 F HA 0.542 5.074 4.527 0.008 0.000 0.308 989 F C -0.654 175.031 175.800 -0.191 0.000 1.097 989 F CA -1.413 56.452 58.000 -0.226 0.000 0.953 989 F CB 1.728 40.547 39.000 -0.302 0.000 1.287 989 F HN -0.089 nan 8.300 nan 0.000 0.446 990 H N 3.106 122.180 119.070 0.008 0.000 2.759 990 H HA 0.452 5.013 4.556 0.008 0.000 0.354 990 H C -0.972 174.366 175.328 0.016 0.000 1.074 990 H CA -0.740 55.285 56.048 -0.037 0.000 1.226 990 H CB 2.350 32.080 29.762 -0.055 0.000 1.648 990 H HN 0.900 nan 8.280 nan 0.000 0.529 991 M N 3.232 122.753 119.600 -0.132 0.000 2.240 991 M HA 0.372 4.857 4.480 0.009 0.000 0.333 991 M C 0.240 176.622 176.300 0.137 0.000 1.110 991 M CA 0.130 55.433 55.300 0.004 0.000 1.173 991 M CB 0.703 33.227 32.600 -0.127 0.000 1.458 991 M HN 0.609 nan 8.290 nan 0.000 0.458 992 G N 2.309 111.182 108.800 0.121 0.000 2.699 992 G HA2 0.290 4.256 3.960 0.009 0.000 0.246 992 G HA3 0.290 4.256 3.960 0.009 0.000 0.246 992 G C 0.566 175.444 174.900 -0.037 0.000 1.219 992 G CA -0.296 44.809 45.100 0.009 0.000 0.866 992 G HN 1.025 nan 8.290 nan 0.000 0.572 993 I N -1.893 118.610 120.570 -0.112 0.000 3.645 993 I HA 0.423 4.598 4.170 0.009 0.000 0.300 993 I C 1.226 177.290 176.117 -0.089 0.000 1.260 993 I CA 0.426 61.630 61.300 -0.159 0.000 1.365 993 I CB -0.550 37.256 38.000 -0.323 0.000 1.077 993 I HN 0.960 nan 8.210 nan 0.000 0.439 994 G N 1.438 110.216 108.800 -0.037 0.000 2.698 994 G HA2 0.052 4.017 3.960 0.009 0.000 0.233 994 G HA3 0.052 4.017 3.960 0.009 0.000 0.233 994 G C 0.527 175.442 174.900 0.026 0.000 1.352 994 G CA 0.072 45.190 45.100 0.030 0.000 0.879 994 G HN 1.317 nan 8.290 nan 0.000 0.567 995 G N -2.459 106.370 108.800 0.048 0.000 2.902 995 G HA2 0.026 3.991 3.960 0.009 0.000 0.215 995 G HA3 0.026 3.991 3.960 0.009 0.000 0.215 995 G C 0.682 175.650 174.900 0.113 0.000 0.976 995 G CA 0.906 46.045 45.100 0.066 0.000 0.794 995 G HN 0.979 nan 8.290 nan 0.000 0.557 996 D N 1.330 121.811 120.400 0.134 0.000 2.203 996 D HA 0.074 4.719 4.640 0.009 0.000 0.199 996 D C 0.979 177.313 176.300 0.057 0.000 0.997 996 D CA 2.202 56.329 54.000 0.211 0.000 0.863 996 D CB 0.084 41.013 40.800 0.215 0.000 0.928 996 D HN 0.811 nan 8.370 nan 0.000 0.458 997 D N -3.666 116.577 120.400 -0.262 0.000 2.671 997 D HA 0.288 4.933 4.640 0.009 0.000 0.273 997 D C -0.807 175.038 176.300 -0.758 0.000 1.264 997 D CA -0.729 52.718 54.000 -0.922 0.000 0.788 997 D CB 0.739 40.452 40.800 -1.813 0.000 1.324 997 D HN -0.283 nan 8.370 nan 0.000 0.424 998 S N -0.565 114.538 115.700 -0.995 0.000 2.664 998 S HA 0.241 4.716 4.470 0.009 0.000 0.245 998 S C -0.472 174.177 174.600 0.081 0.000 1.019 998 S CA -0.646 57.434 58.200 -0.200 0.000 0.996 998 S CB -0.523 62.809 63.200 0.220 0.000 0.878 998 S HN 0.607 nan 8.310 nan 0.000 0.493 999 W N 1.263 122.490 121.300 -0.122 0.000 2.252 999 W HA 0.580 5.245 4.660 0.008 0.000 0.338 999 W C -0.108 176.361 176.519 -0.082 0.000 0.914 999 W CA -0.631 56.653 57.345 -0.101 0.000 1.754 999 W CB -0.501 28.836 29.460 -0.206 0.000 1.135 999 W HN 0.148 nan 8.180 nan 0.000 0.531 1000 S N -1.298 114.291 115.700 -0.185 0.000 2.567 1000 S HA 0.562 5.037 4.470 0.009 0.000 0.270 1000 S C -3.141 171.393 174.600 -0.110 0.000 1.152 1000 S CA -1.554 56.575 58.200 -0.117 0.000 0.835 1000 S CB 1.445 64.580 63.200 -0.108 0.000 1.115 1000 S HN -0.201 nan 8.310 nan 0.000 0.459 1001 P HA 0.191 nan 4.420 nan 0.000 0.262 1001 P C 0.438 177.770 177.300 0.053 0.000 1.199 1001 P CA 0.025 63.133 63.100 0.013 0.000 0.763 1001 P CB 0.512 32.125 31.700 -0.145 0.000 0.790 1002 S N 0.870 116.638 115.700 0.114 0.000 2.701 1002 S HA 0.157 4.632 4.470 0.009 0.000 0.242 1002 S C 0.250 174.945 174.600 0.158 0.000 1.025 1002 S CA -0.344 57.909 58.200 0.088 0.000 1.016 1002 S CB -0.212 62.996 63.200 0.012 0.000 0.977 1002 S HN 0.122 nan 8.310 nan 0.000 0.546 1003 V N 4.062 124.123 119.914 0.245 0.000 2.408 1003 V HA 0.369 4.494 4.120 0.009 0.000 0.267 1003 V C 0.482 176.745 176.094 0.282 0.000 1.047 1003 V CA -0.495 61.951 62.300 0.244 0.000 0.937 1003 V CB 0.653 32.575 31.823 0.166 0.000 0.999 1003 V HN 0.601 nan 8.190 nan 0.000 0.472 1004 S N 4.207 120.094 115.700 0.313 0.000 2.564 1004 S HA 0.362 4.837 4.470 0.009 0.000 0.278 1004 S C 1.560 176.259 174.600 0.165 0.000 1.333 1004 S CA -0.078 58.255 58.200 0.222 0.000 1.048 1004 S CB 1.331 64.618 63.200 0.146 0.000 0.900 1004 S HN 1.035 nan 8.310 nan 0.000 0.505 1005 A N 2.397 125.274 122.820 0.095 0.000 1.954 1005 A HA -0.287 4.039 4.320 0.009 0.000 0.222 1005 A C 1.921 179.477 177.584 -0.047 0.000 1.199 1005 A CA 2.274 54.350 52.037 0.065 0.000 0.657 1005 A CB -1.147 17.876 19.000 0.039 0.000 0.823 1005 A HN 0.927 nan 8.150 nan 0.000 0.463 1006 E N -0.903 119.144 120.200 -0.254 0.000 2.267 1006 E HA -0.136 4.219 4.350 0.009 0.000 0.197 1006 E C 1.065 177.347 176.600 -0.531 0.000 0.998 1006 E CA 1.300 57.411 56.400 -0.482 0.000 0.830 1006 E CB -0.395 28.793 29.700 -0.854 0.000 0.751 1006 E HN 0.812 nan 8.360 nan 0.000 0.491 1007 F N 0.746 120.740 119.950 0.075 0.000 2.641 1007 F HA 0.200 4.732 4.527 0.008 0.000 0.302 1007 F C 0.468 176.297 175.800 0.048 0.000 1.098 1007 F CA -0.481 57.562 58.000 0.071 0.000 1.318 1007 F CB 0.275 39.318 39.000 0.071 0.000 1.035 1007 F HN -0.169 nan 8.300 nan 0.000 0.551 1008 Q N 1.483 121.381 119.800 0.164 0.000 2.256 1008 Q HA 0.395 4.740 4.340 0.009 0.000 0.257 1008 Q C -0.277 175.740 176.000 0.028 0.000 0.936 1008 Q CA -0.580 55.296 55.803 0.121 0.000 0.903 1008 Q CB 2.146 31.040 28.738 0.259 0.000 1.263 1008 Q HN 0.276 nan 8.270 nan 0.000 0.440 1009 L N 2.580 123.803 121.223 -0.000 0.000 2.415 1009 L HA 0.085 4.430 4.340 0.009 0.000 0.269 1009 L C 0.583 177.405 176.870 -0.081 0.000 1.244 1009 L CA -0.006 54.815 54.840 -0.031 0.000 1.113 1009 L CB -0.562 41.357 42.059 -0.233 0.000 1.352 1009 L HN 0.698 nan 8.230 nan 0.000 0.433 1010 S N -0.960 114.625 115.700 -0.192 0.000 2.663 1010 S HA 0.232 4.708 4.470 0.009 0.000 0.243 1010 S C 1.380 175.896 174.600 -0.139 0.000 1.009 1010 S CA 0.104 58.024 58.200 -0.467 0.000 0.988 1010 S CB 0.918 63.768 63.200 -0.585 0.000 0.896 1010 S HN 0.533 nan 8.310 nan 0.000 0.502 1011 A N 1.341 124.107 122.820 -0.090 0.000 2.021 1011 A HA 0.567 4.892 4.320 0.009 0.000 0.216 1011 A C 1.984 179.398 177.584 -0.282 0.000 1.163 1011 A CA 1.091 52.938 52.037 -0.316 0.000 0.676 1011 A CB -0.982 17.615 19.000 -0.671 0.000 0.818 1011 A HN 1.468 nan 8.150 nan 0.000 0.453 1012 G N -1.339 107.366 108.800 -0.157 0.000 3.079 1012 G HA2 -0.245 3.720 3.960 0.009 0.000 0.214 1012 G HA3 -0.245 3.720 3.960 0.009 0.000 0.214 1012 G C 0.371 175.227 174.900 -0.074 0.000 1.335 1012 G CA 0.282 45.362 45.100 -0.034 0.000 0.822 1012 G HN 0.597 nan 8.290 nan 0.000 0.545 1013 R N 0.369 120.701 120.500 -0.280 0.000 2.338 1013 R HA 0.743 5.088 4.340 0.009 0.000 0.317 1013 R C -1.326 174.697 176.300 -0.461 0.000 0.968 1013 R CA -0.295 55.689 56.100 -0.194 0.000 0.849 1013 R CB 0.799 31.033 30.300 -0.110 0.000 1.128 1013 R HN 0.394 nan 8.270 nan 0.000 0.448 1014 Y N 0.967 121.265 120.300 -0.002 0.000 2.442 1014 Y HA 0.359 4.914 4.550 0.008 0.000 0.344 1014 Y C -0.341 175.710 175.900 0.251 0.000 0.976 1014 Y CA -0.858 57.206 58.100 -0.058 0.000 1.040 1014 Y CB 2.041 40.284 38.460 -0.362 0.000 1.228 1014 Y HN 0.589 nan 8.280 nan 0.000 0.451 1015 H N 3.145 122.498 119.070 0.471 0.000 2.637 1015 H HA 0.649 5.210 4.556 0.008 0.000 0.363 1015 H C -1.671 174.036 175.328 0.632 0.000 1.131 1015 H CA -0.926 55.382 56.048 0.433 0.000 1.183 1015 H CB 1.370 31.282 29.762 0.250 0.000 1.637 1015 H HN 0.597 nan 8.280 nan 0.000 0.531 1016 Y N 1.106 121.162 120.300 -0.406 0.000 2.624 1016 Y HA 0.460 5.015 4.550 0.009 0.000 0.334 1016 Y C -2.149 173.600 175.900 -0.251 0.000 1.155 1016 Y CA -1.075 56.918 58.100 -0.178 0.000 1.046 1016 Y CB 1.254 39.695 38.460 -0.032 0.000 1.316 1016 Y HN 0.683 nan 8.280 nan 0.000 0.457 1017 Q N 3.396 123.217 119.800 0.034 0.000 2.379 1017 Q HA 0.766 5.111 4.340 0.009 0.000 0.278 1017 Q C -1.762 174.303 176.000 0.108 0.000 1.068 1017 Q CA -1.099 54.693 55.803 -0.018 0.000 0.816 1017 Q CB 3.526 32.293 28.738 0.049 0.000 1.387 1017 Q HN 0.715 nan 8.270 nan 0.000 0.413 1018 L N 0.912 122.174 121.223 0.065 0.000 2.327 1018 L HA 0.749 5.094 4.340 0.009 0.000 0.258 1018 L C -1.027 175.936 176.870 0.155 0.000 1.024 1018 L CA -1.331 53.582 54.840 0.121 0.000 0.825 1018 L CB 2.582 44.700 42.059 0.098 0.000 1.386 1018 L HN 0.409 nan 8.230 nan 0.000 0.417 1019 V N 0.847 120.882 119.914 0.202 0.000 2.447 1019 V HA 0.325 4.450 4.120 0.009 0.000 0.292 1019 V C -1.153 175.105 176.094 0.273 0.000 1.021 1019 V CA -0.462 61.968 62.300 0.216 0.000 0.850 1019 V CB 2.095 34.022 31.823 0.173 0.000 1.005 1019 V HN 0.568 nan 8.190 nan 0.000 0.426 1020 W N 6.997 128.343 121.300 0.076 0.000 2.469 1020 W HA 0.745 5.411 4.660 0.009 0.000 0.320 1020 W C -0.105 176.394 176.519 -0.034 0.000 1.086 1020 W CA -0.998 56.313 57.345 -0.056 0.000 1.211 1020 W CB 1.475 30.952 29.460 0.029 0.000 1.298 1020 W HN 0.870 nan 8.180 nan 0.000 0.525 1021 C N 3.350 122.944 119.300 0.490 0.000 3.272 1021 C HA 0.750 5.215 4.460 0.009 0.000 0.363 1021 C C -1.053 174.028 174.990 0.153 0.000 1.514 1021 C CA -0.811 58.361 59.018 0.256 0.000 1.185 1021 C CB 1.521 29.355 27.740 0.156 0.000 1.716 1021 C HN 0.579 nan 8.230 nan 0.000 0.440 1022 Q N 0.474 120.302 119.800 0.047 0.000 2.416 1022 Q HA 0.848 5.193 4.340 0.009 0.000 0.279 1022 Q C -0.878 175.094 176.000 -0.046 0.000 1.101 1022 Q CA -0.324 55.444 55.803 -0.058 0.000 0.830 1022 Q CB 2.009 30.671 28.738 -0.128 0.000 1.402 1022 Q HN 0.745 nan 8.270 nan 0.000 0.445 1023 K N 0.000 120.349 120.400 -0.085 0.000 2.780 1023 K HA 0.000 4.325 4.320 0.009 0.000 0.191 1023 K CA 0.000 56.251 56.287 -0.060 0.000 0.838 1023 K CB 0.000 32.476 32.500 -0.040 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543