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 1jz6_1_A DATA FIRST_RESID 13 DATA SEQUENCE RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR SLNGEWRFAW DATA SEQUENCE FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN VTYPITVNPP DATA SEQUENCE FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL WCNGRWVGYG DATA SEQUENCE QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM WRMSGIFRDV DATA SEQUENCE SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD YLRVTVSLWQ DATA SEQUENCE GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS AEIPNLYRAV DATA SEQUENCE VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR GVNRHEHHPL DATA SEQUENCE HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DRYGLYVVDE DATA SEQUENCE ANIETHGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS VIIWSLGNES DATA SEQUENCE GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM YARVDEDQPF DATA SEQUENCE PAVPKWSIKK WLSLPGETRP LILCEYAHAM GNSLGGFAKY WQAFRQYPRL DATA SEQUENCE QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC MNGLVFADRT DATA SEQUENCE PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL HWMVALDGKP DATA SEQUENCE LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ PNATAWSEAG DATA SEQUENCE HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFCIELG NKRWQFNRQS DATA SEQUENCE GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID PNAWVERWKA DATA SEQUENCE AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS RKTYRIDGSG DATA SEQUENCE QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP QENYPDRLTA DATA SEQUENCE ACFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR GDFQFNISRY DATA SEQUENCE SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS VSAEFQLSAG DATA SEQUENCE 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 13 R HA 0.000 nan 4.340 nan 0.000 0.208 13 R C 0.000 176.092 176.300 -0.346 0.000 0.893 13 R CA 0.000 55.975 56.100 -0.208 0.000 0.921 13 R CB 0.000 30.178 30.300 -0.203 0.000 0.687 14 R N 1.172 121.366 120.500 -0.511 0.000 3.050 14 R HA 0.170 4.517 4.340 0.012 0.000 0.275 14 R C -0.244 175.489 176.300 -0.946 0.000 1.373 14 R CA -0.300 55.131 56.100 -1.115 0.000 1.612 14 R CB 0.330 30.070 30.300 -0.932 0.000 1.218 14 R HN 0.475 nan 8.270 nan 0.000 0.621 15 D N 0.801 120.843 120.400 -0.597 0.000 2.271 15 D HA -0.209 4.438 4.640 0.012 0.000 0.207 15 D C 1.221 177.420 176.300 -0.169 0.000 0.983 15 D CA 1.203 54.946 54.000 -0.428 0.000 0.878 15 D CB 0.156 40.518 40.800 -0.730 0.000 0.920 15 D HN 0.640 nan 8.370 nan 0.000 0.479 16 W N 1.041 122.354 121.300 0.023 0.000 3.292 16 W HA 0.251 4.918 4.660 0.012 0.000 0.263 16 W C 0.500 177.113 176.519 0.157 0.000 1.318 16 W CA -0.325 57.144 57.345 0.207 0.000 1.663 16 W CB -0.192 29.435 29.460 0.279 0.000 1.114 16 W HN -0.200 nan 8.180 nan 0.000 0.706 17 E N 1.077 121.145 120.200 -0.219 0.000 3.105 17 E HA 0.039 4.396 4.350 0.012 0.000 0.198 17 E C -0.724 175.730 176.600 -0.242 0.000 0.976 17 E CA -0.204 56.089 56.400 -0.178 0.000 1.219 17 E CB -0.135 29.451 29.700 -0.190 0.000 1.081 17 E HN 0.022 nan 8.360 nan 0.000 0.464 18 N N 1.001 119.589 118.700 -0.187 0.000 2.594 18 N HA 0.139 4.886 4.740 0.012 0.000 0.280 18 N C -2.352 173.018 175.510 -0.234 0.000 1.156 18 N CA -2.003 50.905 53.050 -0.237 0.000 0.831 18 N CB 1.465 39.822 38.487 -0.216 0.000 1.379 18 N HN -0.180 nan 8.380 nan 0.000 0.536 19 P HA 0.065 nan 4.420 nan 0.000 0.234 19 P C 1.084 178.132 177.300 -0.420 0.000 1.167 19 P CA 0.607 63.374 63.100 -0.556 0.000 0.763 19 P CB 0.154 31.003 31.700 -1.418 0.000 0.835 20 G N -0.283 108.313 108.800 -0.340 0.000 2.464 20 G HA2 0.004 3.971 3.960 0.012 0.000 0.217 20 G HA3 0.004 3.971 3.960 0.012 0.000 0.217 20 G C 0.384 175.198 174.900 -0.144 0.000 1.138 20 G CA 0.186 45.142 45.100 -0.240 0.000 0.793 20 G HN 0.219 nan 8.290 nan 0.000 0.539 21 V N 2.063 121.913 119.914 -0.107 0.000 2.275 21 V HA 0.259 4.386 4.120 0.012 0.000 0.272 21 V C 0.990 177.135 176.094 0.085 0.000 1.028 21 V CA 0.242 62.532 62.300 -0.017 0.000 0.810 21 V CB 0.937 32.737 31.823 -0.038 0.000 1.043 21 V HN 0.367 nan 8.190 nan 0.000 0.453 22 T N 0.739 115.325 114.554 0.052 0.000 3.060 22 T HA 0.328 4.686 4.350 0.012 0.000 0.249 22 T C 0.317 175.026 174.700 0.016 0.000 1.079 22 T CA 0.092 62.218 62.100 0.043 0.000 1.013 22 T CB 0.211 69.066 68.868 -0.023 0.000 0.975 22 T HN 0.692 nan 8.240 nan 0.000 0.518 23 Q N 0.225 120.085 119.800 0.099 0.000 2.791 23 Q HA 0.637 4.984 4.340 0.012 0.000 0.280 23 Q C -2.317 173.786 176.000 0.171 0.000 0.928 23 Q CA -1.023 54.821 55.803 0.070 0.000 0.819 23 Q CB 0.638 29.340 28.738 -0.060 0.000 1.552 23 Q HN 0.227 nan 8.270 nan 0.000 0.410 24 L N 1.746 123.095 121.223 0.210 0.000 2.438 24 L HA 0.629 4.977 4.340 0.012 0.000 0.270 24 L C -0.621 176.340 176.870 0.153 0.000 0.972 24 L CA -0.983 53.989 54.840 0.220 0.000 0.831 24 L CB 1.919 44.221 42.059 0.405 0.000 1.273 24 L HN 0.829 nan 8.230 nan 0.000 0.405 25 N N 0.978 119.736 118.700 0.096 0.000 2.714 25 N HA -0.215 4.532 4.740 0.012 0.000 0.250 25 N C 0.109 175.626 175.510 0.013 0.000 1.117 25 N CA 0.757 53.844 53.050 0.062 0.000 0.719 25 N CB -0.830 37.675 38.487 0.030 0.000 1.081 25 N HN 0.677 nan 8.380 nan 0.000 0.557 26 R N 0.870 121.308 120.500 -0.103 0.000 2.390 26 R HA 0.364 4.711 4.340 0.012 0.000 0.291 26 R C 0.576 176.708 176.300 -0.281 0.000 1.070 26 R CA -0.397 55.451 56.100 -0.420 0.000 1.014 26 R CB 0.549 30.607 30.300 -0.403 0.000 1.007 26 R HN 0.142 nan 8.270 nan 0.000 0.466 27 L N 3.315 124.345 121.223 -0.321 0.000 2.452 27 L HA 0.276 4.623 4.340 0.012 0.000 0.267 27 L C 0.745 177.548 176.870 -0.111 0.000 1.188 27 L CA -0.579 54.173 54.840 -0.146 0.000 0.821 27 L CB 0.672 42.681 42.059 -0.083 0.000 1.102 27 L HN 0.762 nan 8.230 nan 0.000 0.470 28 A N 1.755 124.555 122.820 -0.034 0.000 2.520 28 A HA 0.438 4.765 4.320 0.012 0.000 0.235 28 A C 0.421 178.001 177.584 -0.007 0.000 1.065 28 A CA 0.054 52.082 52.037 -0.015 0.000 0.764 28 A CB 0.126 19.149 19.000 0.038 0.000 1.002 28 A HN 0.833 nan 8.150 nan 0.000 0.502 29 A N 1.715 124.478 122.820 -0.095 0.000 2.351 29 A HA 0.659 4.986 4.320 0.012 0.000 0.257 29 A C 0.102 177.553 177.584 -0.221 0.000 1.087 29 A CA 0.423 52.315 52.037 -0.242 0.000 0.798 29 A CB -0.100 18.773 19.000 -0.211 0.000 1.033 29 A HN 1.793 nan 8.150 nan 0.000 0.488 30 H N -1.595 117.313 119.070 -0.270 0.000 2.967 30 H HA 0.675 5.238 4.556 0.012 0.000 0.318 30 H C -3.386 171.643 175.328 -0.498 0.000 1.375 30 H CA -1.981 53.835 56.048 -0.387 0.000 1.132 30 H CB 0.153 29.571 29.762 -0.573 0.000 1.848 30 H HN 0.365 nan 8.280 nan 0.000 0.524 31 P HA 0.215 nan 4.420 nan 0.000 0.274 31 P C -2.592 174.546 177.300 -0.270 0.000 1.256 31 P CA -1.550 61.357 63.100 -0.322 0.000 0.795 31 P CB -0.289 31.152 31.700 -0.431 0.000 1.038 32 P HA 0.030 nan 4.420 nan 0.000 0.260 32 P C -0.775 176.744 177.300 0.365 0.000 1.185 32 P CA 1.176 64.327 63.100 0.085 0.000 0.763 32 P CB -0.287 31.489 31.700 0.127 0.000 0.776 33 F N 1.578 121.635 119.950 0.178 0.000 2.538 33 F HA 0.596 5.130 4.527 0.012 0.000 0.325 33 F C 1.053 176.804 175.800 -0.081 0.000 1.066 33 F CA -1.045 57.005 58.000 0.083 0.000 0.946 33 F CB 2.165 41.166 39.000 0.002 0.000 1.199 33 F HN 0.216 nan 8.300 nan 0.000 0.473 34 A N 0.438 123.199 122.820 -0.098 0.000 2.425 34 A HA 0.235 4.562 4.320 0.012 0.000 0.201 34 A C 0.687 177.988 177.584 -0.472 0.000 1.431 34 A CA 0.535 52.286 52.037 -0.477 0.000 1.066 34 A CB -0.038 18.230 19.000 -1.219 0.000 1.318 34 A HN 0.797 nan 8.150 nan 0.000 0.534 35 S N 0.090 115.611 115.700 -0.298 0.000 3.711 35 S HA -0.140 4.337 4.470 0.012 0.000 0.374 35 S C -0.000 174.524 174.600 -0.126 0.000 0.969 35 S CA 0.418 58.508 58.200 -0.183 0.000 1.198 35 S CB -1.775 61.324 63.200 -0.169 0.000 0.903 35 S HN 0.474 nan 8.310 nan 0.000 0.493 36 W N 1.455 122.737 121.300 -0.030 0.000 2.187 36 W HA 0.188 4.855 4.660 0.011 0.000 0.348 36 W C 1.450 177.945 176.519 -0.040 0.000 1.282 36 W CA -0.320 57.010 57.345 -0.025 0.000 1.271 36 W CB 0.170 29.614 29.460 -0.027 0.000 1.170 36 W HN 0.358 nan 8.180 nan 0.000 0.583 37 R N 1.842 122.464 120.500 0.203 0.000 2.577 37 R HA 0.086 4.433 4.340 0.012 0.000 0.344 37 R C -0.057 176.294 176.300 0.085 0.000 1.037 37 R CA -0.128 56.033 56.100 0.102 0.000 1.102 37 R CB -0.061 30.265 30.300 0.042 0.000 1.313 37 R HN 0.371 nan 8.270 nan 0.000 0.561 38 N N 0.071 118.834 118.700 0.105 0.000 2.454 38 N HA 0.104 4.851 4.740 0.012 0.000 0.291 38 N C -0.164 175.310 175.510 -0.059 0.000 1.079 38 N CA -0.063 52.996 53.050 0.014 0.000 0.893 38 N CB 1.947 40.439 38.487 0.009 0.000 1.512 38 N HN -0.258 nan 8.380 nan 0.000 0.497 39 S N 2.358 118.001 115.700 -0.095 0.000 2.399 39 S HA -0.154 4.323 4.470 0.012 0.000 0.231 39 S C 1.370 175.790 174.600 -0.299 0.000 1.022 39 S CA 1.099 59.196 58.200 -0.172 0.000 0.983 39 S CB -0.001 63.122 63.200 -0.129 0.000 0.803 39 S HN 0.770 nan 8.310 nan 0.000 0.480 40 E N 1.556 121.599 120.200 -0.263 0.000 2.152 40 E HA -0.113 4.244 4.350 0.012 0.000 0.192 40 E C 1.858 178.239 176.600 -0.366 0.000 0.983 40 E CA 0.966 57.175 56.400 -0.318 0.000 0.818 40 E CB -0.083 29.482 29.700 -0.225 0.000 0.758 40 E HN 0.270 nan 8.360 nan 0.000 0.467 41 E N 0.132 120.120 120.200 -0.353 0.000 2.106 41 E HA -0.122 4.235 4.350 0.012 0.000 0.192 41 E C 1.979 177.947 176.600 -1.054 0.000 0.984 41 E CA 1.103 57.242 56.400 -0.435 0.000 0.806 41 E CB -0.409 29.196 29.700 -0.158 0.000 0.750 41 E HN 0.387 nan 8.360 nan 0.000 0.458 42 A N 1.487 123.496 122.820 -1.351 0.000 1.898 42 A HA -0.171 4.156 4.320 0.012 0.000 0.216 42 A C 2.226 179.237 177.584 -0.955 0.000 1.181 42 A CA 1.491 52.449 52.037 -1.798 0.000 0.620 42 A CB -0.480 17.994 19.000 -0.878 0.000 0.819 42 A HN 0.099 nan 8.150 nan 0.000 0.442 43 R N -0.250 119.857 120.500 -0.654 0.000 2.105 43 R HA -0.144 4.203 4.340 0.012 0.000 0.239 43 R C 2.044 178.103 176.300 -0.401 0.000 1.135 43 R CA 2.075 57.859 56.100 -0.527 0.000 0.967 43 R CB -0.426 29.464 30.300 -0.683 0.000 0.861 43 R HN 0.671 nan 8.270 nan 0.000 0.442 44 T N -2.889 111.434 114.554 -0.386 0.000 3.100 44 T HA 0.014 4.371 4.350 0.012 0.000 0.253 44 T C 0.408 175.009 174.700 -0.166 0.000 1.118 44 T CA 0.610 62.571 62.100 -0.232 0.000 1.058 44 T CB 0.091 68.847 68.868 -0.186 0.000 0.953 44 T HN 0.326 nan 8.240 nan 0.000 0.515 45 D N 0.588 120.828 120.400 -0.267 0.000 3.041 45 D HA -0.157 4.490 4.640 0.012 0.000 0.220 45 D C 0.164 176.556 176.300 0.152 0.000 1.157 45 D CA 0.458 54.443 54.000 -0.026 0.000 0.876 45 D CB -1.157 39.693 40.800 0.082 0.000 1.107 45 D HN 0.580 nan 8.370 nan 0.000 0.422 46 R N 0.039 120.580 120.500 0.069 0.000 2.649 46 R HA 0.464 4.811 4.340 0.012 0.000 0.270 46 R C -2.053 174.522 176.300 0.457 0.000 1.105 46 R CA -1.187 55.028 56.100 0.191 0.000 1.193 46 R CB 0.111 30.465 30.300 0.090 0.000 1.120 46 R HN 0.074 nan 8.270 nan 0.000 0.561 47 P HA -0.031 nan 4.420 nan 0.000 0.270 47 P C -0.835 176.658 177.300 0.323 0.000 1.223 47 P CA 0.029 63.290 63.100 0.270 0.000 0.785 47 P CB 0.725 32.519 31.700 0.157 0.000 0.923 48 S N 0.675 116.412 115.700 0.062 0.000 2.454 48 S HA 0.154 4.631 4.470 0.012 0.000 0.306 48 S C 0.970 175.570 174.600 -0.000 0.000 1.100 48 S CA -0.515 57.625 58.200 -0.099 0.000 1.087 48 S CB 0.736 63.488 63.200 -0.747 0.000 1.019 48 S HN 0.362 nan 8.310 nan 0.000 0.480 49 Q N 1.952 121.794 119.800 0.070 0.000 2.291 49 Q HA -0.134 4.213 4.340 0.012 0.000 0.206 49 Q C 0.971 177.075 176.000 0.174 0.000 0.976 49 Q CA 1.396 57.272 55.803 0.121 0.000 0.875 49 Q CB 0.004 28.816 28.738 0.123 0.000 0.927 49 Q HN 0.734 nan 8.270 nan 0.000 0.450 50 Q N -0.492 119.326 119.800 0.031 0.000 2.472 50 Q HA 0.032 4.379 4.340 0.012 0.000 0.208 50 Q C -0.474 175.556 176.000 0.051 0.000 0.958 50 Q CA 0.395 56.166 55.803 -0.053 0.000 0.932 50 Q CB 0.365 29.000 28.738 -0.172 0.000 1.007 50 Q HN 0.039 nan 8.270 nan 0.000 0.508 51 L N 0.872 122.144 121.223 0.082 0.000 2.353 51 L HA 0.419 4.766 4.340 0.012 0.000 0.270 51 L C -1.168 175.787 176.870 0.142 0.000 1.003 51 L CA -0.425 54.471 54.840 0.094 0.000 0.862 51 L CB 0.965 42.992 42.059 -0.052 0.000 1.221 51 L HN -0.099 nan 8.230 nan 0.000 0.430 52 R N 2.174 122.792 120.500 0.197 0.000 2.604 52 R HA 0.598 4.945 4.340 0.012 0.000 0.287 52 R C -0.456 175.866 176.300 0.037 0.000 0.970 52 R CA -0.660 55.500 56.100 0.100 0.000 0.946 52 R CB 1.985 32.310 30.300 0.041 0.000 1.127 52 R HN 0.631 nan 8.270 nan 0.000 0.473 53 S N 2.063 117.773 115.700 0.016 0.000 2.525 53 S HA 0.276 4.753 4.470 0.012 0.000 0.278 53 S C 0.517 175.106 174.600 -0.018 0.000 1.234 53 S CA -0.635 57.564 58.200 -0.002 0.000 1.058 53 S CB 0.511 63.721 63.200 0.017 0.000 0.983 53 S HN 0.552 nan 8.310 nan 0.000 0.495 54 L N 3.801 125.004 121.223 -0.033 0.000 2.818 54 L HA 0.299 4.646 4.340 0.012 0.000 0.243 54 L C 0.059 177.037 176.870 0.179 0.000 1.185 54 L CA -0.366 54.465 54.840 -0.014 0.000 0.988 54 L CB -0.251 41.722 42.059 -0.144 0.000 1.292 54 L HN 0.530 nan 8.230 nan 0.000 0.519 55 N N 1.340 120.107 118.700 0.113 0.000 2.479 55 N HA 0.492 5.239 4.740 0.012 0.000 0.257 55 N C 0.601 176.232 175.510 0.201 0.000 1.232 55 N CA 0.869 53.998 53.050 0.130 0.000 0.920 55 N CB 1.318 39.825 38.487 0.034 0.000 1.105 55 N HN 0.308 nan 8.380 nan 0.000 0.444 56 G N 0.382 109.328 108.800 0.243 0.000 2.278 56 G HA2 -0.072 3.895 3.960 0.012 0.000 0.265 56 G HA3 -0.072 3.895 3.960 0.012 0.000 0.265 56 G C -1.573 173.561 174.900 0.390 0.000 1.329 56 G CA -0.891 44.353 45.100 0.240 0.000 1.017 56 G HN 0.470 nan 8.290 nan 0.000 0.472 57 E N 0.160 120.529 120.200 0.282 0.000 2.220 57 E HA 0.381 4.738 4.350 0.012 0.000 0.272 57 E C -0.758 176.067 176.600 0.376 0.000 1.099 57 E CA 0.147 56.727 56.400 0.299 0.000 0.907 57 E CB 0.617 30.415 29.700 0.163 0.000 1.022 57 E HN 0.359 nan 8.360 nan 0.000 0.428 58 W N 1.908 123.292 121.300 0.141 0.000 2.869 58 W HA 0.413 5.081 4.660 0.012 0.000 0.345 58 W C 0.301 176.940 176.519 0.199 0.000 1.191 58 W CA -0.739 56.718 57.345 0.187 0.000 1.104 58 W CB 0.785 30.406 29.460 0.269 0.000 1.471 58 W HN 0.182 nan 8.180 nan 0.000 0.612 59 R N 1.336 122.114 120.500 0.463 0.000 2.532 59 R HA 0.595 4.942 4.340 0.012 0.000 0.295 59 R C -1.544 175.002 176.300 0.410 0.000 0.968 59 R CA -0.906 55.400 56.100 0.343 0.000 0.916 59 R CB 1.556 32.007 30.300 0.252 0.000 1.124 59 R HN 0.456 nan 8.270 nan 0.000 0.463 60 F N 0.399 120.379 119.950 0.050 0.000 2.591 60 F HA 0.642 5.176 4.527 0.012 0.000 0.309 60 F C -1.584 174.062 175.800 -0.258 0.000 1.098 60 F CA -0.683 57.208 58.000 -0.182 0.000 0.937 60 F CB 2.049 40.794 39.000 -0.426 0.000 1.250 60 F HN 0.612 nan 8.300 nan 0.000 0.447 61 A N 4.513 126.655 122.820 -1.129 0.000 2.398 61 A HA 0.536 4.863 4.320 0.012 0.000 0.301 61 A C -2.350 174.358 177.584 -1.459 0.000 1.041 61 A CA -0.500 50.939 52.037 -0.998 0.000 0.711 61 A CB 0.626 19.337 19.000 -0.483 0.000 1.240 61 A HN 0.953 nan 8.150 nan 0.000 0.420 62 W N 3.386 123.799 121.300 -1.478 0.000 2.390 62 W HA 0.707 5.374 4.660 0.012 0.000 0.312 62 W C -1.715 174.070 176.519 -1.223 0.000 1.123 62 W CA -0.222 56.381 57.345 -1.237 0.000 1.202 62 W CB 0.807 29.821 29.460 -0.743 0.000 1.251 62 W HN 0.501 nan 8.180 nan 0.000 0.511 63 F N 6.551 125.934 119.950 -0.944 0.000 2.561 63 F HA 0.409 4.943 4.527 0.012 0.000 0.321 63 F C -1.404 173.568 175.800 -1.380 0.000 1.065 63 F CA -2.504 55.008 58.000 -0.815 0.000 0.934 63 F CB 1.742 40.388 39.000 -0.589 0.000 1.215 63 F HN 0.200 nan 8.300 nan 0.000 0.471 64 P HA 0.297 nan 4.420 nan 0.000 0.262 64 P C -0.740 176.428 177.300 -0.220 0.000 1.304 64 P CA 0.383 63.142 63.100 -0.569 0.000 0.859 64 P CB 0.746 32.441 31.700 -0.008 0.000 1.310 65 A N 0.481 123.178 122.820 -0.206 0.000 2.586 65 A HA 0.437 4.764 4.320 0.012 0.000 0.298 65 A C -2.565 174.917 177.584 -0.170 0.000 1.013 65 A CA -0.753 51.218 52.037 -0.111 0.000 0.707 65 A CB 0.184 19.180 19.000 -0.007 0.000 1.276 65 A HN -0.291 nan 8.150 nan 0.000 0.414 66 P HA -0.109 nan 4.420 nan 0.000 0.222 66 P C 0.747 177.941 177.300 -0.177 0.000 1.147 66 P CA 1.521 64.465 63.100 -0.260 0.000 0.790 66 P CB 0.259 31.753 31.700 -0.344 0.000 0.780 67 E N 0.200 120.356 120.200 -0.074 0.000 2.268 67 E HA -0.039 4.318 4.350 0.012 0.000 0.195 67 E C 2.117 178.664 176.600 -0.088 0.000 0.995 67 E CA 1.220 57.598 56.400 -0.037 0.000 0.836 67 E CB -0.879 28.837 29.700 0.027 0.000 0.763 67 E HN 0.250 nan 8.360 nan 0.000 0.491 68 A N 0.465 123.210 122.820 -0.125 0.000 2.169 68 A HA 0.060 4.387 4.320 0.012 0.000 0.212 68 A C 0.786 178.180 177.584 -0.316 0.000 1.153 68 A CA -0.044 51.932 52.037 -0.101 0.000 0.756 68 A CB 0.120 19.150 19.000 0.051 0.000 0.813 68 A HN 0.055 nan 8.150 nan 0.000 0.471 69 V N 3.108 122.635 119.914 -0.644 0.000 2.446 69 V HA 0.192 4.319 4.120 0.012 0.000 0.276 69 V C -2.018 173.820 176.094 -0.427 0.000 1.030 69 V CA -1.481 60.244 62.300 -0.959 0.000 1.033 69 V CB 0.134 31.370 31.823 -0.978 0.000 0.993 69 V HN 0.383 nan 8.190 nan 0.000 0.477 70 P HA 0.120 nan 4.420 nan 0.000 0.271 70 P C 0.726 177.981 177.300 -0.075 0.000 1.220 70 P CA -0.196 62.829 63.100 -0.125 0.000 0.768 70 P CB 1.082 32.753 31.700 -0.048 0.000 0.848 71 E N 3.167 123.329 120.200 -0.064 0.000 2.147 71 E HA -0.262 4.095 4.350 0.012 0.000 0.199 71 E C 1.375 177.944 176.600 -0.051 0.000 1.005 71 E CA 2.319 58.681 56.400 -0.063 0.000 0.810 71 E CB -0.584 29.086 29.700 -0.049 0.000 0.736 71 E HN 0.443 nan 8.360 nan 0.000 0.460 72 S N -0.304 115.386 115.700 -0.016 0.000 2.442 72 S HA -0.202 4.275 4.470 0.012 0.000 0.236 72 S C 1.596 176.201 174.600 0.008 0.000 1.007 72 S CA 0.816 59.010 58.200 -0.009 0.000 0.965 72 S CB -0.937 62.272 63.200 0.014 0.000 0.773 72 S HN 0.649 nan 8.310 nan 0.000 0.504 73 W N 2.824 124.023 121.300 -0.168 0.000 2.331 73 W HA -0.118 4.549 4.660 0.011 0.000 0.291 73 W C 1.548 177.951 176.519 -0.193 0.000 1.214 73 W CA 1.086 58.327 57.345 -0.173 0.000 1.228 73 W CB -0.429 28.899 29.460 -0.221 0.000 1.135 73 W HN 0.238 nan 8.180 nan 0.000 0.537 74 L N 0.176 121.115 121.223 -0.474 0.000 2.083 74 L HA -0.183 4.164 4.340 0.012 0.000 0.209 74 L C 2.498 179.133 176.870 -0.393 0.000 1.083 74 L CA 1.415 55.853 54.840 -0.670 0.000 0.752 74 L CB -0.869 40.880 42.059 -0.518 0.000 0.899 74 L HN -0.034 nan 8.230 nan 0.000 0.433 75 E N -0.585 119.471 120.200 -0.239 0.000 2.140 75 E HA 0.019 4.376 4.350 0.012 0.000 0.191 75 E C 0.512 177.044 176.600 -0.113 0.000 0.973 75 E CA 0.644 56.962 56.400 -0.135 0.000 0.829 75 E CB 0.395 30.047 29.700 -0.080 0.000 0.781 75 E HN 0.544 nan 8.360 nan 0.000 0.466 76 C N -0.535 118.703 119.300 -0.103 0.000 3.239 76 C HA 0.471 4.938 4.460 0.012 0.000 0.329 76 C C -0.323 174.669 174.990 0.005 0.000 1.252 76 C CA -1.787 57.200 59.018 -0.051 0.000 1.323 76 C CB 0.858 28.584 27.740 -0.023 0.000 1.663 76 C HN 0.086 nan 8.230 nan 0.000 0.487 77 D N 0.726 121.145 120.400 0.032 0.000 2.506 77 D HA 0.330 4.977 4.640 0.012 0.000 0.234 77 D C -0.251 176.118 176.300 0.116 0.000 1.143 77 D CA 0.407 54.468 54.000 0.101 0.000 0.871 77 D CB 0.513 41.356 40.800 0.072 0.000 1.190 77 D HN 0.559 nan 8.370 nan 0.000 0.459 78 L N 5.850 127.172 121.223 0.165 0.000 2.305 78 L HA 0.275 4.622 4.340 0.012 0.000 0.281 78 L C -1.220 175.696 176.870 0.076 0.000 1.085 78 L CA -1.555 53.357 54.840 0.120 0.000 0.813 78 L CB 1.177 43.310 42.059 0.125 0.000 1.157 78 L HN 0.453 nan 8.230 nan 0.000 0.436 79 P HA -0.253 nan 4.420 nan 0.000 0.216 79 P C 1.166 178.483 177.300 0.029 0.000 1.154 79 P CA 1.367 64.489 63.100 0.037 0.000 0.865 79 P CB 0.089 31.806 31.700 0.029 0.000 0.789 80 E N 0.077 120.288 120.200 0.019 0.000 2.216 80 E HA -0.017 4.340 4.350 0.012 0.000 0.192 80 E C 0.814 177.411 176.600 -0.004 0.000 0.988 80 E CA 0.153 56.552 56.400 -0.002 0.000 0.834 80 E CB -0.690 28.993 29.700 -0.029 0.000 0.772 80 E HN 0.033 nan 8.360 nan 0.000 0.479 81 A N 1.809 124.633 122.820 0.007 0.000 2.613 81 A HA -0.039 4.288 4.320 0.012 0.000 0.230 81 A C -0.278 177.339 177.584 0.055 0.000 1.051 81 A CA 0.552 52.598 52.037 0.014 0.000 0.754 81 A CB 0.103 19.149 19.000 0.076 0.000 0.979 81 A HN 0.270 nan 8.150 nan 0.000 0.510 82 D N 0.093 120.545 120.400 0.087 0.000 2.384 82 D HA 0.562 5.209 4.640 0.012 0.000 0.250 82 D C -0.388 176.006 176.300 0.158 0.000 1.029 82 D CA -0.009 54.067 54.000 0.126 0.000 0.990 82 D CB 1.236 42.148 40.800 0.186 0.000 1.175 82 D HN 0.416 nan 8.370 nan 0.000 0.532 83 T N 0.444 115.080 114.554 0.137 0.000 2.749 83 T HA 0.524 4.881 4.350 0.012 0.000 0.287 83 T C 0.063 174.849 174.700 0.143 0.000 0.970 83 T CA -0.594 61.599 62.100 0.155 0.000 0.980 83 T CB 0.750 69.688 68.868 0.116 0.000 0.924 83 T HN 0.269 nan 8.240 nan 0.000 0.456 84 V N 1.311 121.346 119.914 0.201 0.000 3.102 84 V HA 0.848 4.975 4.120 0.012 0.000 0.312 84 V C -0.422 175.799 176.094 0.213 0.000 1.135 84 V CA -1.015 61.369 62.300 0.139 0.000 1.022 84 V CB 1.699 33.604 31.823 0.137 0.000 1.056 84 V HN 0.535 nan 8.190 nan 0.000 0.436 85 V N 1.699 121.714 119.914 0.168 0.000 2.686 85 V HA 0.628 4.755 4.120 0.012 0.000 0.295 85 V C 0.013 176.189 176.094 0.136 0.000 1.057 85 V CA -0.313 62.088 62.300 0.168 0.000 1.012 85 V CB 1.348 33.238 31.823 0.112 0.000 1.006 85 V HN 0.772 nan 8.190 nan 0.000 0.477 86 V N 5.456 125.362 119.914 -0.013 0.000 2.656 86 V HA 0.460 4.587 4.120 0.012 0.000 0.307 86 V C -2.372 173.603 176.094 -0.197 0.000 1.051 86 V CA -1.775 60.371 62.300 -0.256 0.000 0.893 86 V CB 2.503 33.794 31.823 -0.886 0.000 0.999 86 V HN 0.774 nan 8.190 nan 0.000 0.426 87 P HA 0.424 nan 4.420 nan 0.000 0.274 87 P C -0.779 176.458 177.300 -0.105 0.000 1.231 87 P CA -0.045 62.941 63.100 -0.190 0.000 0.790 87 P CB 1.174 32.781 31.700 -0.155 0.000 0.951 88 S N 0.357 116.004 115.700 -0.088 0.000 2.595 88 S HA 0.416 4.893 4.470 0.012 0.000 0.270 88 S C -1.375 173.154 174.600 -0.118 0.000 1.145 88 S CA -1.033 57.099 58.200 -0.114 0.000 0.825 88 S CB 0.403 63.510 63.200 -0.154 0.000 1.107 88 S HN 0.327 nan 8.310 nan 0.000 0.461 89 N N 1.129 119.695 118.700 -0.224 0.000 2.424 89 N HA 0.435 5.182 4.740 0.012 0.000 0.271 89 N C 0.495 175.825 175.510 -0.300 0.000 0.985 89 N CA -0.816 52.076 53.050 -0.262 0.000 0.921 89 N CB 0.715 39.019 38.487 -0.305 0.000 1.149 89 N HN 0.858 nan 8.380 nan 0.000 0.492 90 W N 2.596 123.743 121.300 -0.255 0.000 2.392 90 W HA -0.081 4.586 4.660 0.012 0.000 0.279 90 W C 1.055 177.582 176.519 0.014 0.000 1.225 90 W CA 0.750 57.961 57.345 -0.223 0.000 1.233 90 W CB -0.368 28.856 29.460 -0.394 0.000 1.122 90 W HN 0.492 nan 8.180 nan 0.000 0.561 91 Q N 0.591 120.354 119.800 -0.062 0.000 2.181 91 Q HA -0.184 4.163 4.340 0.012 0.000 0.205 91 Q C 2.181 178.140 176.000 -0.069 0.000 0.980 91 Q CA 2.325 58.105 55.803 -0.038 0.000 0.862 91 Q CB -0.639 27.957 28.738 -0.236 0.000 0.905 91 Q HN 0.281 nan 8.270 nan 0.000 0.429 92 M N -0.872 118.645 119.600 -0.139 0.000 2.460 92 M HA -0.079 4.408 4.480 0.012 0.000 0.263 92 M C 0.686 177.041 176.300 0.091 0.000 1.071 92 M CA 1.426 56.668 55.300 -0.097 0.000 1.096 92 M CB -0.658 31.865 32.600 -0.129 0.000 1.408 92 M HN 0.368 nan 8.290 nan 0.000 0.463 93 H N -0.705 118.388 119.070 0.039 0.000 2.517 93 H HA 0.299 4.862 4.556 0.012 0.000 0.282 93 H C 1.208 176.356 175.328 -0.300 0.000 1.023 93 H CA 0.012 56.047 56.048 -0.021 0.000 1.169 93 H CB 0.236 30.140 29.762 0.237 0.000 1.454 93 H HN 0.563 nan 8.280 nan 0.000 0.556 94 G N 0.607 109.357 108.800 -0.083 0.000 2.155 94 G HA2 -0.395 3.572 3.960 0.012 0.000 0.257 94 G HA3 -0.395 3.572 3.960 0.012 0.000 0.257 94 G C 0.461 175.168 174.900 -0.321 0.000 0.983 94 G CA 0.560 45.543 45.100 -0.195 0.000 0.676 94 G HN 0.514 nan 8.290 nan 0.000 0.528 95 Y N 1.496 121.862 120.300 0.109 0.000 2.181 95 Y HA 0.178 4.735 4.550 0.012 0.000 0.288 95 Y C 1.867 177.645 175.900 -0.203 0.000 1.146 95 Y CA 1.778 59.866 58.100 -0.019 0.000 1.164 95 Y CB 0.105 38.694 38.460 0.215 0.000 0.982 95 Y HN 0.680 nan 8.280 nan 0.000 0.515 96 D N -2.121 118.406 120.400 0.212 0.000 2.825 96 D HA 0.515 5.162 4.640 0.012 0.000 0.327 96 D C -1.286 175.105 176.300 0.151 0.000 1.277 96 D CA -0.812 53.290 54.000 0.169 0.000 0.950 96 D CB 0.719 41.774 40.800 0.425 0.000 1.438 96 D HN -0.032 nan 8.370 nan 0.000 0.526 97 A N -0.215 122.701 122.820 0.160 0.000 2.306 97 A HA 0.723 5.050 4.320 0.012 0.000 0.314 97 A C -2.428 175.184 177.584 0.047 0.000 1.164 97 A CA -1.349 50.756 52.037 0.113 0.000 0.822 97 A CB 0.343 19.467 19.000 0.206 0.000 1.130 97 A HN 0.529 nan 8.150 nan 0.000 0.496 98 P HA 0.352 nan 4.420 nan 0.000 0.275 98 P C -0.850 176.616 177.300 0.278 0.000 1.228 98 P CA 0.189 63.234 63.100 -0.091 0.000 0.786 98 P CB 0.614 31.980 31.700 -0.557 0.000 0.927 99 I N 2.630 123.437 120.570 0.395 0.000 2.378 99 I HA 0.205 4.382 4.170 0.012 0.000 0.291 99 I C -0.312 175.966 176.117 0.268 0.000 0.992 99 I CA -0.958 60.566 61.300 0.374 0.000 1.154 99 I CB 1.282 39.447 38.000 0.276 0.000 1.315 99 I HN 0.300 nan 8.210 nan 0.000 0.448 100 Y N 6.395 126.602 120.300 -0.155 0.000 2.700 100 Y HA 0.392 4.948 4.550 0.011 0.000 0.333 100 Y C -0.102 175.633 175.900 -0.275 0.000 1.036 100 Y CA -0.439 57.303 58.100 -0.596 0.000 1.287 100 Y CB 0.704 38.438 38.460 -1.211 0.000 1.132 100 Y HN 0.510 nan 8.280 nan 0.000 0.510 101 T N 4.983 119.086 114.554 -0.750 0.000 2.841 101 T HA 0.257 4.614 4.350 0.012 0.000 0.283 101 T C 0.399 174.662 174.700 -0.728 0.000 1.000 101 T CA -0.525 61.130 62.100 -0.741 0.000 0.977 101 T CB 0.986 69.636 68.868 -0.364 0.000 0.979 101 T HN 0.880 nan 8.240 nan 0.000 0.446 102 N N 2.828 121.103 118.700 -0.710 0.000 2.288 102 N HA -0.001 4.746 4.740 0.012 0.000 0.199 102 N C 1.380 176.627 175.510 -0.438 0.000 1.043 102 N CA 0.541 53.322 53.050 -0.449 0.000 0.947 102 N CB 0.156 38.405 38.487 -0.396 0.000 1.140 102 N HN 0.375 nan 8.380 nan 0.000 0.490 103 V N 0.712 120.288 119.914 -0.564 0.000 2.436 103 V HA 0.034 4.161 4.120 0.012 0.000 0.240 103 V C 0.551 176.320 176.094 -0.543 0.000 1.040 103 V CA 0.807 62.684 62.300 -0.705 0.000 1.052 103 V CB -0.308 30.982 31.823 -0.888 0.000 0.707 103 V HN 0.375 nan 8.190 nan 0.000 0.469 104 T N 1.324 115.628 114.554 -0.416 0.000 2.831 104 T HA 0.081 4.438 4.350 0.012 0.000 0.291 104 T C -0.298 174.242 174.700 -0.266 0.000 0.981 104 T CA 0.301 62.228 62.100 -0.287 0.000 1.174 104 T CB -0.422 68.318 68.868 -0.214 0.000 0.929 104 T HN 0.191 nan 8.240 nan 0.000 0.532 105 Y N 5.016 125.213 120.300 -0.170 0.000 2.702 105 Y HA 0.074 4.631 4.550 0.011 0.000 0.336 105 Y C -0.792 174.978 175.900 -0.218 0.000 1.235 105 Y CA -1.560 56.428 58.100 -0.188 0.000 1.492 105 Y CB 0.475 38.809 38.460 -0.210 0.000 1.308 105 Y HN 0.517 nan 8.280 nan 0.000 0.589 106 P HA 0.022 nan 4.420 nan 0.000 0.249 106 P C -0.487 176.581 177.300 -0.387 0.000 1.241 106 P CA 0.970 63.968 63.100 -0.171 0.000 0.781 106 P CB -0.207 31.433 31.700 -0.100 0.000 1.088 107 I N -5.753 114.587 120.570 -0.382 0.000 3.174 107 I HA 0.489 4.666 4.170 0.012 0.000 0.313 107 I C -0.700 175.289 176.117 -0.213 0.000 1.155 107 I CA -1.293 59.748 61.300 -0.431 0.000 0.977 107 I CB 1.712 39.315 38.000 -0.661 0.000 1.248 107 I HN -0.486 nan 8.210 nan 0.000 0.453 108 T N 2.735 117.201 114.554 -0.147 0.000 2.867 108 T HA 0.164 4.521 4.350 0.012 0.000 0.297 108 T C 0.211 174.896 174.700 -0.025 0.000 0.989 108 T CA -0.200 61.868 62.100 -0.054 0.000 1.159 108 T CB 0.461 69.321 68.868 -0.014 0.000 0.928 108 T HN 0.370 nan 8.240 nan 0.000 0.538 109 V N 5.304 125.221 119.914 0.006 0.000 2.364 109 V HA 0.214 4.341 4.120 0.012 0.000 0.252 109 V C 0.732 176.878 176.094 0.087 0.000 1.075 109 V CA -0.173 62.154 62.300 0.045 0.000 1.033 109 V CB -0.503 31.349 31.823 0.048 0.000 1.116 109 V HN 0.844 nan 8.190 nan 0.000 0.488 110 N N 5.685 124.488 118.700 0.170 0.000 2.732 110 N HA 0.257 5.004 4.740 0.012 0.000 0.230 110 N C -3.020 172.594 175.510 0.173 0.000 1.487 110 N CA -1.206 51.950 53.050 0.177 0.000 0.765 110 N CB 1.493 40.131 38.487 0.251 0.000 1.384 110 N HN 0.257 nan 8.380 nan 0.000 0.530 111 P HA 0.193 nan 4.420 nan 0.000 0.266 111 P C -2.185 174.869 177.300 -0.410 0.000 1.195 111 P CA -0.752 61.978 63.100 -0.617 0.000 0.768 111 P CB 0.453 31.587 31.700 -0.944 0.000 0.838 112 P HA 0.177 nan 4.420 nan 0.000 0.266 112 P C -0.474 176.558 177.300 -0.447 0.000 1.381 112 P CA -0.180 62.618 63.100 -0.504 0.000 0.940 112 P CB 0.000 31.400 31.700 -0.501 0.000 1.435 113 F N 1.106 121.140 119.950 0.140 0.000 2.410 113 F HA 0.328 4.862 4.527 0.012 0.000 0.334 113 F C 1.330 177.271 175.800 0.235 0.000 1.134 113 F CA -0.904 57.192 58.000 0.160 0.000 1.227 113 F CB 0.304 39.356 39.000 0.087 0.000 1.194 113 F HN -0.220 nan 8.300 nan 0.000 0.571 114 V N -1.142 119.022 119.914 0.416 0.000 3.126 114 V HA 0.737 4.864 4.120 0.012 0.000 0.314 114 V C -2.757 173.488 176.094 0.252 0.000 1.138 114 V CA -2.855 59.619 62.300 0.290 0.000 1.034 114 V CB 1.495 33.537 31.823 0.364 0.000 1.075 114 V HN 0.527 nan 8.190 nan 0.000 0.442 115 P HA 0.195 nan 4.420 nan 0.000 0.269 115 P C 0.999 178.427 177.300 0.214 0.000 1.215 115 P CA 0.549 63.731 63.100 0.138 0.000 0.780 115 P CB 0.604 32.342 31.700 0.064 0.000 0.898 116 T N -1.766 112.889 114.554 0.169 0.000 2.995 116 T HA -0.090 4.267 4.350 0.012 0.000 0.269 116 T C 0.291 175.096 174.700 0.175 0.000 1.091 116 T CA 0.574 62.782 62.100 0.181 0.000 1.128 116 T CB -0.649 68.299 68.868 0.133 0.000 0.891 116 T HN 0.490 nan 8.240 nan 0.000 0.492 117 E N 2.290 122.593 120.200 0.172 0.000 2.001 117 E HA 0.458 4.815 4.350 0.012 0.000 0.279 117 E C -0.742 176.015 176.600 0.261 0.000 1.045 117 E CA -0.591 55.919 56.400 0.184 0.000 0.833 117 E CB 0.310 30.123 29.700 0.188 0.000 1.077 117 E HN 0.169 nan 8.360 nan 0.000 0.397 118 N N 3.929 122.759 118.700 0.216 0.000 2.577 118 N HA 0.242 4.989 4.740 0.012 0.000 0.275 118 N C -2.844 172.677 175.510 0.019 0.000 1.091 118 N CA -2.582 50.619 53.050 0.252 0.000 0.843 118 N CB 1.236 39.867 38.487 0.240 0.000 1.295 118 N HN 0.106 nan 8.380 nan 0.000 0.530 119 P HA 0.039 nan 4.420 nan 0.000 0.261 119 P C -0.814 176.402 177.300 -0.139 0.000 1.173 119 P CA 0.472 63.447 63.100 -0.208 0.000 0.760 119 P CB 0.435 32.305 31.700 0.283 0.000 0.783 120 T N 2.635 116.891 114.554 -0.496 0.000 2.840 120 T HA 0.523 4.880 4.350 0.012 0.000 0.287 120 T C 0.177 174.468 174.700 -0.681 0.000 0.991 120 T CA -0.572 61.318 62.100 -0.350 0.000 0.964 120 T CB 1.487 70.145 68.868 -0.351 0.000 0.954 120 T HN 0.339 nan 8.240 nan 0.000 0.438 121 G N 1.153 109.600 108.800 -0.589 0.000 2.329 121 G HA2 0.434 4.401 3.960 0.012 0.000 0.309 121 G HA3 0.434 4.401 3.960 0.012 0.000 0.309 121 G C -0.014 174.651 174.900 -0.393 0.000 1.110 121 G CA -0.334 44.233 45.100 -0.889 0.000 0.923 121 G HN 0.877 nan 8.290 nan 0.000 0.430 122 C N 3.681 122.509 119.300 -0.787 0.000 2.252 122 C HA 0.385 4.852 4.460 0.012 0.000 0.342 122 C C -0.229 174.692 174.990 -0.116 0.000 1.110 122 C CA -0.811 57.825 59.018 -0.638 0.000 1.581 122 C CB -2.098 24.939 27.740 -1.171 0.000 2.087 122 C HN 0.608 nan 8.230 nan 0.000 0.500 123 Y N 1.893 122.429 120.300 0.393 0.000 2.453 123 Y HA 0.640 5.197 4.550 0.012 0.000 0.326 123 Y C 0.845 177.209 175.900 0.773 0.000 1.186 123 Y CA -0.164 58.310 58.100 0.623 0.000 1.200 123 Y CB 1.342 40.158 38.460 0.593 0.000 1.247 123 Y HN 0.641 nan 8.280 nan 0.000 0.482 124 S N 1.289 117.550 115.700 0.934 0.000 2.625 124 S HA 0.830 5.307 4.470 0.012 0.000 0.271 124 S C -1.963 172.713 174.600 0.128 0.000 1.161 124 S CA -0.802 57.731 58.200 0.555 0.000 0.820 124 S CB 2.163 65.575 63.200 0.353 0.000 1.137 124 S HN 0.663 nan 8.310 nan 0.000 0.470 125 L N 0.588 121.707 121.223 -0.172 0.000 2.705 125 L HA 0.601 4.948 4.340 0.012 0.000 0.260 125 L C -1.364 175.453 176.870 -0.088 0.000 0.921 125 L CA 0.163 54.735 54.840 -0.447 0.000 0.948 125 L CB 2.056 43.264 42.059 -1.419 0.000 1.427 125 L HN 0.927 nan 8.230 nan 0.000 0.432 126 T N 5.938 120.465 114.554 -0.045 0.000 2.770 126 T HA 0.699 5.056 4.350 0.012 0.000 0.297 126 T C -0.650 174.086 174.700 0.060 0.000 0.997 126 T CA -0.037 62.066 62.100 0.005 0.000 0.949 126 T CB 0.017 68.858 68.868 -0.045 0.000 0.941 126 T HN 0.429 nan 8.240 nan 0.000 0.457 127 F N 1.405 121.258 119.950 -0.163 0.000 2.664 127 F HA 0.781 5.315 4.527 0.012 0.000 0.329 127 F C -0.379 175.345 175.800 -0.127 0.000 1.090 127 F CA -1.652 56.254 58.000 -0.156 0.000 0.978 127 F CB 1.271 40.159 39.000 -0.187 0.000 1.378 127 F HN 0.367 nan 8.300 nan 0.000 0.495 128 N N 0.129 118.742 118.700 -0.145 0.000 2.487 128 N HA 0.575 5.322 4.740 0.012 0.000 0.292 128 N C -1.945 173.421 175.510 -0.239 0.000 1.108 128 N CA -0.431 52.480 53.050 -0.231 0.000 0.956 128 N CB 1.885 40.295 38.487 -0.129 0.000 1.176 128 N HN 0.633 nan 8.380 nan 0.000 0.484 129 V N 2.136 121.876 119.914 -0.290 0.000 2.482 129 V HA 0.243 4.370 4.120 0.012 0.000 0.295 129 V C -0.650 175.307 176.094 -0.229 0.000 1.026 129 V CA -0.960 61.172 62.300 -0.280 0.000 0.856 129 V CB 1.225 32.945 31.823 -0.172 0.000 1.001 129 V HN 0.749 nan 8.190 nan 0.000 0.424 130 D N 2.590 122.790 120.400 -0.333 0.000 2.506 130 D HA 0.017 4.664 4.640 0.012 0.000 0.234 130 D C 1.159 177.454 176.300 -0.008 0.000 1.143 130 D CA 0.430 54.334 54.000 -0.161 0.000 0.871 130 D CB 1.064 41.772 40.800 -0.153 0.000 1.190 130 D HN 0.737 nan 8.370 nan 0.000 0.459 131 E N 0.510 120.722 120.200 0.021 0.000 2.153 131 E HA -0.185 4.172 4.350 0.012 0.000 0.194 131 E C 1.705 178.380 176.600 0.125 0.000 0.988 131 E CA 1.339 57.775 56.400 0.060 0.000 0.811 131 E CB 0.150 29.873 29.700 0.039 0.000 0.746 131 E HN 0.498 nan 8.360 nan 0.000 0.466 132 S N -0.545 115.244 115.700 0.149 0.000 2.419 132 S HA -0.192 4.285 4.470 0.012 0.000 0.235 132 S C 1.489 176.201 174.600 0.187 0.000 1.019 132 S CA 0.963 59.251 58.200 0.147 0.000 0.982 132 S CB -0.627 62.659 63.200 0.144 0.000 0.789 132 S HN 0.386 nan 8.310 nan 0.000 0.490 133 W N 1.626 122.886 121.300 -0.067 0.000 2.425 133 W HA 0.317 4.984 4.660 0.012 0.000 0.277 133 W C 1.887 178.493 176.519 0.146 0.000 1.231 133 W CA -0.069 57.255 57.345 -0.035 0.000 1.248 133 W CB -0.513 28.989 29.460 0.070 0.000 1.117 133 W HN 0.295 nan 8.180 nan 0.000 0.568 134 L N -0.004 121.408 121.223 0.314 0.000 2.529 134 L HA -0.027 4.320 4.340 0.012 0.000 0.223 134 L C 2.257 179.216 176.870 0.148 0.000 1.113 134 L CA 0.462 55.431 54.840 0.215 0.000 0.861 134 L CB -0.473 41.677 42.059 0.151 0.000 1.012 134 L HN -0.044 nan 8.230 nan 0.000 0.461 135 Q N 0.880 120.757 119.800 0.129 0.000 2.187 135 Q HA -0.018 4.329 4.340 0.012 0.000 0.199 135 Q C 0.389 176.440 176.000 0.084 0.000 0.957 135 Q CA 0.769 56.623 55.803 0.084 0.000 0.857 135 Q CB 0.327 29.100 28.738 0.059 0.000 0.929 135 Q HN 0.650 nan 8.270 nan 0.000 0.453 136 E N -1.558 118.717 120.200 0.124 0.000 2.430 136 E HA 0.485 4.842 4.350 0.012 0.000 0.279 136 E C -0.078 176.635 176.600 0.187 0.000 1.003 136 E CA -0.376 56.095 56.400 0.118 0.000 0.801 136 E CB 1.495 31.246 29.700 0.086 0.000 1.313 136 E HN 0.058 nan 8.360 nan 0.000 0.459 137 G N 0.919 109.755 108.800 0.060 0.000 2.601 137 G HA2 -0.299 3.668 3.960 0.012 0.000 0.252 137 G HA3 -0.299 3.668 3.960 0.012 0.000 0.252 137 G C -0.604 174.169 174.900 -0.211 0.000 1.294 137 G CA 0.347 45.391 45.100 -0.095 0.000 0.912 137 G HN 0.805 nan 8.290 nan 0.000 0.574 138 Q N -0.511 118.993 119.800 -0.494 0.000 2.356 138 Q HA 0.641 4.988 4.340 0.012 0.000 0.270 138 Q C -1.197 174.579 176.000 -0.373 0.000 1.058 138 Q CA -0.399 55.219 55.803 -0.308 0.000 0.802 138 Q CB 1.793 30.441 28.738 -0.150 0.000 1.303 138 Q HN 0.630 nan 8.270 nan 0.000 0.444 139 T N 4.711 119.244 114.554 -0.034 0.000 2.842 139 T HA 0.439 4.797 4.350 0.012 0.000 0.308 139 T C -0.559 174.260 174.700 0.199 0.000 1.041 139 T CA -0.656 61.551 62.100 0.179 0.000 0.964 139 T CB 0.416 69.541 68.868 0.428 0.000 0.972 139 T HN 0.630 nan 8.240 nan 0.000 0.460 140 R N 3.077 123.680 120.500 0.172 0.000 2.778 140 R HA 0.786 5.133 4.340 0.012 0.000 0.277 140 R C -1.053 175.358 176.300 0.185 0.000 0.977 140 R CA -0.945 55.257 56.100 0.170 0.000 0.950 140 R CB 1.496 31.865 30.300 0.115 0.000 1.165 140 R HN 0.567 nan 8.270 nan 0.000 0.474 141 I N 3.049 123.741 120.570 0.203 0.000 2.525 141 I HA 0.454 4.631 4.170 0.012 0.000 0.301 141 I C -1.104 175.116 176.117 0.172 0.000 0.992 141 I CA -1.320 60.071 61.300 0.152 0.000 1.162 141 I CB 1.394 39.481 38.000 0.145 0.000 1.332 141 I HN 0.664 nan 8.210 nan 0.000 0.458 142 I N 6.887 127.460 120.570 0.005 0.000 2.447 142 I HA 0.284 4.461 4.170 0.012 0.000 0.287 142 I C -1.349 174.647 176.117 -0.202 0.000 1.023 142 I CA -0.360 60.945 61.300 0.008 0.000 1.083 142 I CB 1.520 39.514 38.000 -0.009 0.000 1.245 142 I HN 0.363 nan 8.210 nan 0.000 0.434 143 F N 4.419 124.372 119.950 0.005 0.000 2.332 143 F HA 0.282 4.816 4.527 0.011 0.000 0.368 143 F C 1.338 177.050 175.800 -0.147 0.000 1.110 143 F CA -0.539 57.389 58.000 -0.119 0.000 1.087 143 F CB 0.670 39.544 39.000 -0.211 0.000 1.235 143 F HN 0.453 nan 8.300 nan 0.000 0.470 144 D N 2.327 122.656 120.400 -0.118 0.000 2.263 144 D HA 0.035 4.682 4.640 0.012 0.000 0.208 144 D C 1.003 177.152 176.300 -0.252 0.000 0.971 144 D CA 0.967 54.854 54.000 -0.188 0.000 0.867 144 D CB 0.359 40.994 40.800 -0.276 0.000 0.929 144 D HN 0.646 nan 8.370 nan 0.000 0.492 145 G N -0.569 108.048 108.800 -0.303 0.000 2.524 145 G HA2 0.408 4.375 3.960 0.012 0.000 0.306 145 G HA3 0.408 4.375 3.960 0.012 0.000 0.306 145 G C -1.521 173.233 174.900 -0.243 0.000 1.420 145 G CA -0.498 44.359 45.100 -0.405 0.000 1.086 145 G HN -0.048 nan 8.290 nan 0.000 0.591 146 V N 2.628 122.553 119.914 0.019 0.000 2.577 146 V HA 0.558 4.685 4.120 0.012 0.000 0.303 146 V C -0.806 175.388 176.094 0.166 0.000 1.042 146 V CA -1.194 61.105 62.300 -0.003 0.000 0.872 146 V CB 2.016 33.629 31.823 -0.349 0.000 0.998 146 V HN 0.711 nan 8.190 nan 0.000 0.423 147 N N 2.379 121.155 118.700 0.127 0.000 2.446 147 N HA 0.332 5.079 4.740 0.012 0.000 0.265 147 N C 0.582 176.048 175.510 -0.072 0.000 0.975 147 N CA 0.160 53.209 53.050 -0.002 0.000 0.928 147 N CB 2.219 40.566 38.487 -0.234 0.000 1.160 147 N HN 0.710 nan 8.380 nan 0.000 0.495 148 S N 1.750 117.441 115.700 -0.016 0.000 2.549 148 S HA 0.531 5.008 4.470 0.012 0.000 0.225 148 S C 0.387 175.048 174.600 0.102 0.000 1.039 148 S CA -0.125 58.110 58.200 0.057 0.000 0.942 148 S CB 0.451 63.698 63.200 0.077 0.000 0.881 148 S HN 0.617 nan 8.310 nan 0.000 0.503 149 A N 1.036 123.925 122.820 0.114 0.000 2.587 149 A HA 0.836 5.163 4.320 0.012 0.000 0.293 149 A C -1.240 176.424 177.584 0.133 0.000 1.087 149 A CA -1.020 51.038 52.037 0.036 0.000 0.692 149 A CB 1.109 20.195 19.000 0.144 0.000 1.291 149 A HN 1.029 nan 8.150 nan 0.000 0.407 150 F N -0.650 119.124 119.950 -0.293 0.000 2.703 150 F HA 0.730 5.264 4.527 0.012 0.000 0.308 150 F C -1.267 174.437 175.800 -0.160 0.000 1.126 150 F CA -0.725 57.190 58.000 -0.141 0.000 0.959 150 F CB 1.197 40.080 39.000 -0.195 0.000 1.297 150 F HN 0.618 nan 8.300 nan 0.000 0.441 151 H N 2.144 121.397 119.070 0.305 0.000 2.572 151 H HA 0.725 5.288 4.556 0.012 0.000 0.359 151 H C -1.581 173.685 175.328 -0.103 0.000 1.134 151 H CA -0.810 55.267 56.048 0.049 0.000 1.187 151 H CB 2.599 32.371 29.762 0.018 0.000 1.597 151 H HN 0.884 nan 8.280 nan 0.000 0.524 152 L N 2.989 123.986 121.223 -0.377 0.000 2.385 152 L HA 0.433 4.780 4.340 0.012 0.000 0.273 152 L C -1.588 174.987 176.870 -0.492 0.000 0.990 152 L CA -0.434 54.220 54.840 -0.311 0.000 0.821 152 L CB 1.523 43.318 42.059 -0.439 0.000 1.279 152 L HN 0.484 nan 8.230 nan 0.000 0.412 153 W N 4.348 125.617 121.300 -0.052 0.000 2.689 153 W HA 0.571 5.238 4.660 0.012 0.000 0.340 153 W C -1.058 175.413 176.519 -0.080 0.000 1.060 153 W CA -0.850 56.460 57.345 -0.060 0.000 1.218 153 W CB 2.018 31.460 29.460 -0.029 0.000 1.410 153 W HN 0.564 nan 8.180 nan 0.000 0.528 154 C N 4.964 124.363 119.300 0.165 0.000 2.364 154 C HA 0.282 4.749 4.460 0.012 0.000 0.324 154 C C 0.189 175.307 174.990 0.213 0.000 1.234 154 C CA -0.380 58.732 59.018 0.157 0.000 1.417 154 C CB -0.795 27.000 27.740 0.091 0.000 2.101 154 C HN 0.782 nan 8.230 nan 0.000 0.466 155 N N 3.766 122.544 118.700 0.131 0.000 2.714 155 N HA -0.185 4.562 4.740 0.012 0.000 0.253 155 N C 0.997 176.562 175.510 0.092 0.000 1.024 155 N CA 1.892 54.992 53.050 0.083 0.000 0.726 155 N CB -1.234 37.306 38.487 0.089 0.000 0.908 155 N HN 1.735 nan 8.380 nan 0.000 0.542 156 G N -1.028 107.809 108.800 0.062 0.000 2.220 156 G HA2 -0.389 3.578 3.960 0.012 0.000 0.269 156 G HA3 -0.389 3.578 3.960 0.012 0.000 0.269 156 G C 0.213 175.242 174.900 0.215 0.000 0.977 156 G CA 0.767 45.897 45.100 0.050 0.000 0.634 156 G HN 0.613 nan 8.290 nan 0.000 0.539 157 R N -0.763 119.930 120.500 0.322 0.000 2.346 157 R HA 0.400 4.747 4.340 0.012 0.000 0.311 157 R C -0.258 176.357 176.300 0.526 0.000 0.983 157 R CA -1.010 55.354 56.100 0.440 0.000 0.880 157 R CB 0.532 31.098 30.300 0.443 0.000 1.100 157 R HN 0.205 nan 8.270 nan 0.000 0.453 158 W N 4.895 126.385 121.300 0.317 0.000 2.308 158 W HA 0.046 4.712 4.660 0.012 0.000 0.324 158 W C -0.036 176.430 176.519 -0.088 0.000 1.387 158 W CA 0.078 57.376 57.345 -0.079 0.000 1.250 158 W CB 0.646 30.038 29.460 -0.114 0.000 1.257 158 W HN 0.366 nan 8.180 nan 0.000 0.554 159 V N 5.543 124.815 119.914 -1.069 0.000 2.627 159 V HA 0.544 4.671 4.120 0.012 0.000 0.239 159 V C 1.129 176.276 176.094 -1.578 0.000 1.077 159 V CA 1.074 62.663 62.300 -1.186 0.000 1.103 159 V CB -0.428 30.741 31.823 -1.090 0.000 0.802 159 V HN 0.821 nan 8.190 nan 0.000 0.482 160 G N -1.705 105.913 108.800 -1.969 0.000 2.321 160 G HA2 0.404 4.371 3.960 0.012 0.000 0.296 160 G HA3 0.404 4.371 3.960 0.012 0.000 0.296 160 G C -2.382 172.104 174.900 -0.689 0.000 1.287 160 G CA -0.249 44.040 45.100 -1.351 0.000 0.846 160 G HN 0.037 nan 8.290 nan 0.000 0.508 161 Y N -0.368 119.704 120.300 -0.381 0.000 2.581 161 Y HA 0.732 5.289 4.550 0.012 0.000 0.345 161 Y C 0.013 175.658 175.900 -0.424 0.000 1.036 161 Y CA -0.009 57.799 58.100 -0.486 0.000 1.042 161 Y CB 2.384 40.644 38.460 -0.334 0.000 1.289 161 Y HN 1.266 nan 8.280 nan 0.000 0.471 162 G N 3.696 111.648 108.800 -1.413 0.000 2.746 162 G HA2 0.539 4.506 3.960 0.012 0.000 0.297 162 G HA3 0.539 4.506 3.960 0.012 0.000 0.297 162 G C -2.159 172.164 174.900 -0.961 0.000 1.426 162 G CA -0.849 43.606 45.100 -1.074 0.000 0.989 162 G HN 0.620 nan 8.290 nan 0.000 0.520 163 Q N -0.067 119.467 119.800 -0.442 0.000 2.495 163 Q HA 0.587 4.934 4.340 0.012 0.000 0.283 163 Q C -1.239 174.743 176.000 -0.030 0.000 1.097 163 Q CA -0.829 54.871 55.803 -0.171 0.000 0.836 163 Q CB 2.533 31.223 28.738 -0.079 0.000 1.426 163 Q HN 0.660 nan 8.270 nan 0.000 0.459 164 D N -0.176 120.252 120.400 0.046 0.000 4.535 164 D HA -0.100 4.547 4.640 0.012 0.000 0.236 164 D C -0.472 175.894 176.300 0.110 0.000 1.142 164 D CA 0.516 54.565 54.000 0.080 0.000 1.102 164 D CB -0.560 40.274 40.800 0.056 0.000 0.703 164 D HN 0.541 nan 8.370 nan 0.000 0.331 165 S N 3.492 119.271 115.700 0.132 0.000 2.507 165 S HA -0.052 4.425 4.470 0.012 0.000 0.235 165 S C 1.507 176.247 174.600 0.233 0.000 0.988 165 S CA 0.489 58.803 58.200 0.189 0.000 0.944 165 S CB 0.271 63.547 63.200 0.127 0.000 0.762 165 S HN 0.473 nan 8.310 nan 0.000 0.526 166 R N 0.392 120.989 120.500 0.162 0.000 2.577 166 R HA 0.443 4.790 4.340 0.012 0.000 0.344 166 R C -0.447 175.915 176.300 0.103 0.000 1.037 166 R CA 0.059 56.255 56.100 0.159 0.000 1.102 166 R CB 0.077 30.489 30.300 0.187 0.000 1.313 166 R HN 0.334 nan 8.270 nan 0.000 0.561 167 L N 1.030 122.289 121.223 0.059 0.000 2.376 167 L HA 0.515 4.862 4.340 0.012 0.000 0.258 167 L C -2.413 174.447 176.870 -0.017 0.000 1.013 167 L CA -2.408 52.438 54.840 0.010 0.000 0.822 167 L CB 2.772 44.829 42.059 -0.004 0.000 1.388 167 L HN -0.214 nan 8.230 nan 0.000 0.413 168 P HA 0.072 nan 4.420 nan 0.000 0.268 168 P C -0.956 176.326 177.300 -0.030 0.000 1.204 168 P CA -0.042 63.026 63.100 -0.054 0.000 0.768 168 P CB 0.815 32.438 31.700 -0.128 0.000 0.842 169 S N 2.220 117.971 115.700 0.084 0.000 2.530 169 S HA 0.284 4.761 4.470 0.012 0.000 0.322 169 S C -0.441 174.206 174.600 0.080 0.000 1.085 169 S CA -0.621 57.631 58.200 0.087 0.000 1.096 169 S CB 0.707 64.163 63.200 0.427 0.000 0.988 169 S HN 0.349 nan 8.310 nan 0.000 0.466 170 E N 2.451 122.478 120.200 -0.288 0.000 2.187 170 E HA 0.531 4.888 4.350 0.012 0.000 0.268 170 E C -1.400 174.867 176.600 -0.554 0.000 0.896 170 E CA -0.528 55.753 56.400 -0.197 0.000 0.766 170 E CB 1.563 31.221 29.700 -0.069 0.000 1.142 170 E HN 0.386 nan 8.360 nan 0.000 0.408 171 F N 0.780 120.786 119.950 0.092 0.000 2.565 171 F HA 0.194 4.728 4.527 0.012 0.000 0.313 171 F C 0.050 175.870 175.800 0.032 0.000 1.091 171 F CA -1.135 56.875 58.000 0.017 0.000 0.915 171 F CB 1.570 40.540 39.000 -0.050 0.000 1.208 171 F HN 0.280 nan 8.300 nan 0.000 0.453 172 D N 3.065 123.574 120.400 0.182 0.000 2.339 172 D HA 0.223 4.870 4.640 0.012 0.000 0.241 172 D C 0.480 176.928 176.300 0.246 0.000 1.183 172 D CA 0.215 54.323 54.000 0.180 0.000 0.859 172 D CB 1.003 41.892 40.800 0.147 0.000 1.067 172 D HN 0.568 nan 8.370 nan 0.000 0.484 173 L N 2.685 124.062 121.223 0.257 0.000 2.529 173 L HA -0.038 4.309 4.340 0.012 0.000 0.223 173 L C 2.184 179.316 176.870 0.435 0.000 1.113 173 L CA -0.095 54.944 54.840 0.332 0.000 0.861 173 L CB -0.142 42.078 42.059 0.268 0.000 1.012 173 L HN 0.331 nan 8.230 nan 0.000 0.461 174 S N 1.490 117.374 115.700 0.307 0.000 2.426 174 S HA -0.354 4.123 4.470 0.012 0.000 0.259 174 S C 1.892 176.600 174.600 0.179 0.000 1.096 174 S CA 2.155 60.485 58.200 0.217 0.000 1.219 174 S CB -0.360 62.920 63.200 0.135 0.000 1.124 174 S HN 0.579 nan 8.310 nan 0.000 0.436 175 A N -0.794 122.110 122.820 0.140 0.000 2.259 175 A HA 0.340 4.667 4.320 0.012 0.000 0.208 175 A C 1.365 178.835 177.584 -0.190 0.000 1.201 175 A CA 0.290 52.280 52.037 -0.079 0.000 0.824 175 A CB -0.527 18.317 19.000 -0.260 0.000 0.838 175 A HN 0.475 nan 8.150 nan 0.000 0.485 176 F N -0.583 119.413 119.950 0.077 0.000 2.582 176 F HA 0.323 4.857 4.527 0.012 0.000 0.290 176 F C 0.937 176.774 175.800 0.062 0.000 1.115 176 F CA 0.106 58.151 58.000 0.074 0.000 1.445 176 F CB 0.045 39.098 39.000 0.088 0.000 1.126 176 F HN 0.018 nan 8.300 nan 0.000 0.574 177 L N 0.450 121.812 121.223 0.232 0.000 2.469 177 L HA 0.512 4.859 4.340 0.012 0.000 0.253 177 L C 0.053 176.956 176.870 0.056 0.000 1.143 177 L CA -0.778 54.138 54.840 0.126 0.000 0.804 177 L CB 0.996 43.146 42.059 0.152 0.000 1.214 177 L HN -0.002 nan 8.230 nan 0.000 0.476 178 R N 0.165 120.664 120.500 -0.001 0.000 2.710 178 R HA 0.737 5.084 4.340 0.012 0.000 0.270 178 R C -1.218 175.055 176.300 -0.045 0.000 1.021 178 R CA -0.844 55.248 56.100 -0.013 0.000 0.889 178 R CB 1.359 31.645 30.300 -0.024 0.000 1.243 178 R HN 0.567 nan 8.270 nan 0.000 0.464 179 A N 1.436 124.239 122.820 -0.028 0.000 2.586 179 A HA 0.408 4.735 4.320 0.012 0.000 0.231 179 A C 1.229 178.762 177.584 -0.085 0.000 1.055 179 A CA 1.316 53.326 52.037 -0.045 0.000 0.756 179 A CB -1.001 17.985 19.000 -0.024 0.000 0.988 179 A HN 1.574 nan 8.150 nan 0.000 0.509 180 G N 1.197 109.933 108.800 -0.108 0.000 2.531 180 G HA2 -0.227 3.740 3.960 0.012 0.000 0.274 180 G HA3 -0.227 3.740 3.960 0.012 0.000 0.274 180 G C 0.010 174.788 174.900 -0.204 0.000 1.159 180 G CA 0.343 45.364 45.100 -0.131 0.000 0.969 180 G HN 1.079 nan 8.290 nan 0.000 0.554 181 E N 2.283 122.372 120.200 -0.185 0.000 2.366 181 E HA 0.240 4.597 4.350 0.012 0.000 0.266 181 E C 0.038 176.458 176.600 -0.301 0.000 1.015 181 E CA 0.292 56.552 56.400 -0.234 0.000 0.906 181 E CB 0.052 29.662 29.700 -0.151 0.000 0.979 181 E HN 0.432 nan 8.360 nan 0.000 0.443 182 N N 3.168 121.559 118.700 -0.516 0.000 2.242 182 N HA 0.348 5.095 4.740 0.012 0.000 0.292 182 N C -0.882 174.401 175.510 -0.380 0.000 1.125 182 N CA -0.732 51.992 53.050 -0.543 0.000 0.783 182 N CB 2.356 40.477 38.487 -0.610 0.000 1.558 182 N HN 0.265 nan 8.380 nan 0.000 0.472 183 R N 2.089 122.533 120.500 -0.093 0.000 2.409 183 R HA 0.431 4.778 4.340 0.012 0.000 0.313 183 R C -1.018 175.355 176.300 0.121 0.000 0.953 183 R CA -0.468 55.653 56.100 0.034 0.000 0.849 183 R CB 0.739 31.016 30.300 -0.037 0.000 1.171 183 R HN 0.506 nan 8.270 nan 0.000 0.458 184 L N 3.115 124.449 121.223 0.185 0.000 2.375 184 L HA 0.642 4.989 4.340 0.012 0.000 0.271 184 L C -0.016 176.918 176.870 0.106 0.000 1.107 184 L CA -0.832 54.117 54.840 0.183 0.000 0.806 184 L CB 1.721 43.899 42.059 0.199 0.000 1.146 184 L HN 0.721 nan 8.230 nan 0.000 0.447 185 A N 3.184 126.058 122.820 0.090 0.000 2.332 185 A HA 0.686 5.013 4.320 0.012 0.000 0.300 185 A C -0.910 176.887 177.584 0.355 0.000 1.153 185 A CA -0.432 51.508 52.037 -0.161 0.000 0.764 185 A CB 1.292 19.592 19.000 -1.167 0.000 1.174 185 A HN 0.379 nan 8.150 nan 0.000 0.467 186 V N 3.463 123.823 119.914 0.743 0.000 2.409 186 V HA 0.445 4.572 4.120 0.012 0.000 0.291 186 V C 0.043 176.700 176.094 0.938 0.000 1.020 186 V CA -0.283 62.457 62.300 0.733 0.000 0.848 186 V CB 1.502 33.557 31.823 0.387 0.000 0.990 186 V HN 0.956 nan 8.190 nan 0.000 0.430 187 M N 6.229 126.396 119.600 0.945 0.000 2.289 187 M HA 0.455 4.942 4.480 0.012 0.000 0.354 187 M C -1.186 175.364 176.300 0.417 0.000 1.210 187 M CA -0.359 55.300 55.300 0.597 0.000 1.174 187 M CB 0.672 33.682 32.600 0.683 0.000 1.297 187 M HN 0.482 nan 8.290 nan 0.000 0.423 188 V N 6.390 126.522 119.914 0.364 0.000 2.432 188 V HA 0.263 4.390 4.120 0.012 0.000 0.271 188 V C -0.047 176.217 176.094 0.284 0.000 1.046 188 V CA -0.466 62.049 62.300 0.359 0.000 0.945 188 V CB 0.784 32.910 31.823 0.505 0.000 0.992 188 V HN 0.734 nan 8.190 nan 0.000 0.471 189 L N 5.305 126.623 121.223 0.159 0.000 2.275 189 L HA 0.525 4.872 4.340 0.012 0.000 0.288 189 L C 1.519 178.397 176.870 0.014 0.000 1.046 189 L CA -0.292 54.572 54.840 0.040 0.000 0.805 189 L CB 0.927 42.915 42.059 -0.118 0.000 1.193 189 L HN 0.600 nan 8.230 nan 0.000 0.426 190 R N 2.902 123.349 120.500 -0.089 0.000 2.075 190 R HA -0.037 4.310 4.340 0.012 0.000 0.232 190 R C -0.392 175.591 176.300 -0.528 0.000 1.126 190 R CA 1.076 56.883 56.100 -0.488 0.000 0.963 190 R CB 0.209 30.068 30.300 -0.735 0.000 0.858 190 R HN 0.598 nan 8.270 nan 0.000 0.435 191 W N 0.458 121.813 121.300 0.092 0.000 2.606 191 W HA 0.435 5.101 4.660 0.011 0.000 0.332 191 W C -0.298 176.335 176.519 0.190 0.000 1.052 191 W CA -0.829 56.584 57.345 0.113 0.000 1.223 191 W CB 1.721 31.249 29.460 0.114 0.000 1.383 191 W HN 0.018 nan 8.180 nan 0.000 0.524 192 S N -1.012 114.972 115.700 0.473 0.000 2.752 192 S HA 0.238 4.715 4.470 0.012 0.000 0.284 192 S C 0.190 175.039 174.600 0.415 0.000 1.189 192 S CA -0.368 58.118 58.200 0.476 0.000 0.835 192 S CB 1.165 64.622 63.200 0.428 0.000 1.192 192 S HN 0.619 nan 8.310 nan 0.000 0.506 193 D N 0.371 121.013 120.400 0.403 0.000 2.218 193 D HA 0.058 4.705 4.640 0.012 0.000 0.204 193 D C 1.789 178.381 176.300 0.486 0.000 0.976 193 D CA 1.251 55.516 54.000 0.443 0.000 0.853 193 D CB -0.772 40.170 40.800 0.237 0.000 0.939 193 D HN 0.697 nan 8.370 nan 0.000 0.481 194 G N 0.108 109.118 108.800 0.351 0.000 2.448 194 G HA2 -0.266 3.701 3.960 0.012 0.000 0.219 194 G HA3 -0.266 3.701 3.960 0.012 0.000 0.219 194 G C 1.688 176.769 174.900 0.302 0.000 1.127 194 G CA 0.808 46.090 45.100 0.303 0.000 0.766 194 G HN 0.336 nan 8.290 nan 0.000 0.552 195 S N 0.039 115.906 115.700 0.279 0.000 2.419 195 S HA -0.131 4.346 4.470 0.012 0.000 0.235 195 S C 1.910 176.592 174.600 0.137 0.000 1.019 195 S CA 0.864 59.193 58.200 0.215 0.000 0.982 195 S CB -0.421 62.914 63.200 0.225 0.000 0.789 195 S HN 0.537 nan 8.310 nan 0.000 0.490 196 Y N 1.261 121.658 120.300 0.162 0.000 2.421 196 Y HA 0.105 4.662 4.550 0.012 0.000 0.292 196 Y C 1.686 177.683 175.900 0.162 0.000 1.136 196 Y CA 0.617 58.726 58.100 0.014 0.000 1.255 196 Y CB -0.259 38.053 38.460 -0.248 0.000 0.991 196 Y HN 0.200 nan 8.280 nan 0.000 0.552 197 L N -0.248 121.171 121.223 0.327 0.000 2.628 197 L HA 0.083 4.430 4.340 0.012 0.000 0.229 197 L C 0.084 177.101 176.870 0.245 0.000 1.137 197 L CA 0.490 55.484 54.840 0.257 0.000 0.909 197 L CB -0.017 42.195 42.059 0.255 0.000 1.137 197 L HN 0.163 nan 8.230 nan 0.000 0.470 198 E N -0.148 120.209 120.200 0.261 0.000 3.582 198 E HA 0.038 4.395 4.350 0.012 0.000 0.217 198 E C -0.463 176.258 176.600 0.201 0.000 1.092 198 E CA -0.094 56.443 56.400 0.228 0.000 1.365 198 E CB 0.398 30.216 29.700 0.197 0.000 1.278 198 E HN 0.031 nan 8.360 nan 0.000 0.439 199 D N 1.209 121.700 120.400 0.152 0.000 2.690 199 D HA 0.028 4.675 4.640 0.012 0.000 0.236 199 D C -0.193 176.128 176.300 0.035 0.000 1.218 199 D CA -0.086 53.899 54.000 -0.024 0.000 0.829 199 D CB 0.109 40.666 40.800 -0.405 0.000 1.009 199 D HN 0.072 nan 8.370 nan 0.000 0.482 200 Q N 0.332 120.238 119.800 0.176 0.000 2.421 200 Q HA 0.119 4.466 4.340 0.012 0.000 0.255 200 Q C -0.130 176.007 176.000 0.227 0.000 1.013 200 Q CA 0.052 56.032 55.803 0.295 0.000 0.895 200 Q CB 0.657 29.682 28.738 0.478 0.000 1.271 200 Q HN 0.056 nan 8.270 nan 0.000 0.460 201 D N 2.832 123.403 120.400 0.284 0.000 2.498 201 D HA 0.186 4.833 4.640 0.012 0.000 0.229 201 D C -0.788 175.672 176.300 0.267 0.000 1.188 201 D CA 0.158 54.301 54.000 0.238 0.000 1.028 201 D CB -0.462 40.482 40.800 0.240 0.000 1.087 201 D HN 0.493 nan 8.370 nan 0.000 0.510 202 M N 0.168 119.889 119.600 0.203 0.000 3.147 202 M HA 0.391 4.878 4.480 0.012 0.000 0.276 202 M C -1.440 174.931 176.300 0.119 0.000 1.211 202 M CA -1.113 54.231 55.300 0.074 0.000 0.820 202 M CB 1.084 33.659 32.600 -0.043 0.000 1.621 202 M HN -0.101 nan 8.290 nan 0.000 0.507 203 W N 2.006 123.368 121.300 0.103 0.000 2.251 203 W HA 0.359 5.026 4.660 0.012 0.000 0.327 203 W C 0.207 176.729 176.519 0.007 0.000 1.361 203 W CA -0.001 57.392 57.345 0.081 0.000 1.234 203 W CB 0.362 29.809 29.460 -0.021 0.000 1.212 203 W HN 0.297 nan 8.180 nan 0.000 0.557 204 R N 4.775 125.434 120.500 0.265 0.000 2.248 204 R HA 0.338 4.685 4.340 0.012 0.000 0.337 204 R C -0.044 176.251 176.300 -0.008 0.000 1.106 204 R CA -0.094 56.089 56.100 0.139 0.000 0.959 204 R CB -0.222 30.232 30.300 0.258 0.000 1.075 204 R HN 0.546 nan 8.270 nan 0.000 0.480 205 M N 0.114 119.614 119.600 -0.167 0.000 2.826 205 M HA 0.512 4.999 4.480 0.012 0.000 0.288 205 M C 0.236 176.217 176.300 -0.532 0.000 1.141 205 M CA -0.731 54.359 55.300 -0.349 0.000 0.816 205 M CB 2.027 34.415 32.600 -0.353 0.000 1.704 205 M HN 0.615 nan 8.290 nan 0.000 0.497 206 S N -1.340 113.942 115.700 -0.696 0.000 2.661 206 S HA 0.942 5.419 4.470 0.012 0.000 0.268 206 S C -0.530 173.664 174.600 -0.677 0.000 1.162 206 S CA -0.196 57.537 58.200 -0.778 0.000 0.817 206 S CB 1.534 64.109 63.200 -1.041 0.000 1.141 206 S HN 1.470 nan 8.310 nan 0.000 0.477 207 G N -0.127 108.463 108.800 -0.350 0.000 2.434 207 G HA2 0.106 4.073 3.960 0.012 0.000 0.671 207 G HA3 0.106 4.073 3.960 0.012 0.000 0.671 207 G C -1.144 173.756 174.900 -0.000 0.000 1.280 207 G CA -0.574 44.602 45.100 0.125 0.000 0.975 207 G HN 1.241 nan 8.290 nan 0.000 0.510 208 I N 1.983 122.399 120.570 -0.257 0.000 2.243 208 I HA 0.262 4.439 4.170 0.012 0.000 0.297 208 I C 1.400 177.408 176.117 -0.181 0.000 1.161 208 I CA -0.172 60.906 61.300 -0.370 0.000 1.298 208 I CB -0.232 37.310 38.000 -0.763 0.000 1.475 208 I HN 0.527 nan 8.210 nan 0.000 0.561 209 F N 4.428 124.242 119.950 -0.226 0.000 2.776 209 F HA 0.391 4.925 4.527 0.011 0.000 0.300 209 F C 0.821 176.552 175.800 -0.116 0.000 1.116 209 F CA -0.408 57.490 58.000 -0.170 0.000 1.375 209 F CB 0.094 38.999 39.000 -0.158 0.000 1.109 209 F HN 0.141 nan 8.300 nan 0.000 0.585 210 R N 0.528 120.646 120.500 -0.636 0.000 2.930 210 R HA 0.231 4.578 4.340 0.012 0.000 0.257 210 R C -0.749 175.364 176.300 -0.312 0.000 1.107 210 R CA -1.179 54.632 56.100 -0.481 0.000 0.999 210 R CB 0.655 30.593 30.300 -0.604 0.000 1.209 210 R HN -0.042 nan 8.270 nan 0.000 0.486 211 D N 0.832 121.100 120.400 -0.220 0.000 2.478 211 D HA 0.067 4.714 4.640 0.012 0.000 0.234 211 D C -0.500 175.653 176.300 -0.244 0.000 1.154 211 D CA 0.504 54.399 54.000 -0.176 0.000 0.874 211 D CB 0.664 41.405 40.800 -0.098 0.000 1.198 211 D HN 0.007 nan 8.370 nan 0.000 0.455 212 V N 1.358 121.121 119.914 -0.251 0.000 2.448 212 V HA 0.523 4.650 4.120 0.012 0.000 0.295 212 V C 0.116 176.073 176.094 -0.228 0.000 1.025 212 V CA -0.609 61.467 62.300 -0.373 0.000 0.859 212 V CB 1.461 32.996 31.823 -0.479 0.000 0.988 212 V HN 0.706 nan 8.190 nan 0.000 0.431 213 S N 4.584 120.146 115.700 -0.230 0.000 2.627 213 S HA 0.893 5.370 4.470 0.012 0.000 0.283 213 S C -1.319 173.237 174.600 -0.074 0.000 1.127 213 S CA -0.876 57.259 58.200 -0.109 0.000 0.863 213 S CB 2.294 65.464 63.200 -0.049 0.000 1.121 213 S HN 0.496 nan 8.310 nan 0.000 0.479 214 L N 1.500 122.737 121.223 0.023 0.000 2.376 214 L HA 0.757 5.104 4.340 0.012 0.000 0.275 214 L C -1.449 175.604 176.870 0.304 0.000 0.987 214 L CA -0.704 54.221 54.840 0.141 0.000 0.828 214 L CB 1.533 43.659 42.059 0.113 0.000 1.249 214 L HN 0.856 nan 8.230 nan 0.000 0.409 215 L N 4.440 125.827 121.223 0.273 0.000 2.365 215 L HA 0.533 4.880 4.340 0.012 0.000 0.273 215 L C -1.166 175.743 176.870 0.065 0.000 1.000 215 L CA -0.197 54.753 54.840 0.182 0.000 0.819 215 L CB 1.338 43.454 42.059 0.095 0.000 1.284 215 L HN 0.632 nan 8.230 nan 0.000 0.418 216 H N 5.233 124.115 119.070 -0.314 0.000 2.476 216 H HA 0.492 5.055 4.556 0.012 0.000 0.328 216 H C -1.272 173.861 175.328 -0.326 0.000 1.073 216 H CA -0.555 55.171 56.048 -0.537 0.000 1.229 216 H CB 1.147 30.105 29.762 -1.339 0.000 1.432 216 H HN 0.574 nan 8.280 nan 0.000 0.477 217 K N 5.097 125.167 120.400 -0.550 0.000 2.395 217 K HA 0.383 4.710 4.320 0.012 0.000 0.247 217 K C -2.749 173.650 176.600 -0.336 0.000 0.973 217 K CA -1.994 54.105 56.287 -0.313 0.000 0.828 217 K CB 2.211 34.580 32.500 -0.219 0.000 1.272 217 K HN 0.465 nan 8.250 nan 0.000 0.439 218 P HA 0.163 nan 4.420 nan 0.000 0.276 218 P C 0.502 177.735 177.300 -0.112 0.000 1.252 218 P CA -0.206 62.832 63.100 -0.104 0.000 0.802 218 P CB 0.455 32.128 31.700 -0.044 0.000 1.035 219 T N -0.856 113.654 114.554 -0.074 0.000 2.720 219 T HA -0.071 4.286 4.350 0.012 0.000 0.268 219 T C 0.635 175.299 174.700 -0.059 0.000 1.037 219 T CA 1.678 63.742 62.100 -0.059 0.000 1.144 219 T CB -0.675 68.175 68.868 -0.030 0.000 0.864 219 T HN 0.430 nan 8.240 nan 0.000 0.444 220 T N 3.718 118.243 114.554 -0.049 0.000 2.762 220 T HA 0.425 4.782 4.350 0.012 0.000 0.303 220 T C -0.169 174.489 174.700 -0.070 0.000 0.977 220 T CA -0.574 61.490 62.100 -0.060 0.000 0.961 220 T CB 0.480 69.330 68.868 -0.030 0.000 0.944 220 T HN 0.488 nan 8.240 nan 0.000 0.481 221 Q N 2.617 122.359 119.800 -0.096 0.000 2.553 221 Q HA 0.602 4.949 4.340 0.012 0.000 0.293 221 Q C -1.163 174.768 176.000 -0.114 0.000 1.038 221 Q CA -1.169 54.566 55.803 -0.113 0.000 0.777 221 Q CB 1.321 29.978 28.738 -0.134 0.000 1.487 221 Q HN 0.442 nan 8.270 nan 0.000 0.426 222 I N 2.871 123.344 120.570 -0.162 0.000 2.347 222 I HA 0.015 4.192 4.170 0.012 0.000 0.294 222 I C 0.683 176.709 176.117 -0.152 0.000 1.090 222 I CA -0.024 61.191 61.300 -0.143 0.000 1.314 222 I CB 0.936 38.788 38.000 -0.248 0.000 1.423 222 I HN 0.817 nan 8.210 nan 0.000 0.503 223 S N 2.844 118.565 115.700 0.035 0.000 2.503 223 S HA 0.132 4.609 4.470 0.012 0.000 0.217 223 S C 0.223 175.037 174.600 0.356 0.000 0.999 223 S CA -0.183 58.113 58.200 0.161 0.000 0.914 223 S CB 0.121 63.374 63.200 0.089 0.000 0.782 223 S HN 0.728 nan 8.310 nan 0.000 0.520 224 D N -0.403 120.201 120.400 0.339 0.000 2.728 224 D HA 0.509 5.156 4.640 0.012 0.000 0.249 224 D C -1.905 174.581 176.300 0.311 0.000 1.225 224 D CA -0.851 53.364 54.000 0.358 0.000 0.748 224 D CB 1.218 42.111 40.800 0.154 0.000 1.326 224 D HN 0.179 nan 8.370 nan 0.000 0.426 225 F N -0.580 119.408 119.950 0.063 0.000 2.635 225 F HA 0.622 5.156 4.527 0.012 0.000 0.314 225 F C -1.590 174.199 175.800 -0.017 0.000 1.119 225 F CA -0.812 57.151 58.000 -0.063 0.000 1.000 225 F CB 1.176 40.201 39.000 0.042 0.000 1.278 225 F HN 0.273 nan 8.300 nan 0.000 0.446 226 H N 2.081 121.229 119.070 0.131 0.000 2.529 226 H HA 0.749 5.312 4.556 0.012 0.000 0.348 226 H C -1.198 174.173 175.328 0.072 0.000 1.079 226 H CA -1.521 54.535 56.048 0.013 0.000 1.198 226 H CB 2.506 32.254 29.762 -0.023 0.000 1.521 226 H HN 0.616 nan 8.280 nan 0.000 0.514 227 V N 2.287 122.301 119.914 0.166 0.000 2.417 227 V HA 0.682 4.809 4.120 0.012 0.000 0.291 227 V C -0.149 175.944 176.094 -0.003 0.000 1.024 227 V CA -0.538 61.814 62.300 0.086 0.000 0.861 227 V CB 1.205 33.083 31.823 0.092 0.000 0.985 227 V HN 0.955 nan 8.190 nan 0.000 0.436 228 A N 3.346 126.139 122.820 -0.045 0.000 2.454 228 A HA 0.964 5.291 4.320 0.012 0.000 0.302 228 A C -0.194 177.289 177.584 -0.169 0.000 1.079 228 A CA -0.518 51.471 52.037 -0.079 0.000 0.731 228 A CB 2.109 21.085 19.000 -0.040 0.000 1.299 228 A HN 0.927 nan 8.150 nan 0.000 0.413 229 T N -0.195 114.244 114.554 -0.192 0.000 2.890 229 T HA 0.727 5.084 4.350 0.012 0.000 0.295 229 T C -0.560 173.982 174.700 -0.263 0.000 0.993 229 T CA -0.643 61.258 62.100 -0.332 0.000 0.979 229 T CB 0.917 69.453 68.868 -0.553 0.000 0.967 229 T HN 0.708 nan 8.240 nan 0.000 0.441 230 R N 1.851 122.129 120.500 -0.369 0.000 2.778 230 R HA 0.824 5.171 4.340 0.012 0.000 0.277 230 R C -1.203 174.766 176.300 -0.551 0.000 0.977 230 R CA -0.790 55.167 56.100 -0.237 0.000 0.950 230 R CB 1.602 31.852 30.300 -0.084 0.000 1.165 230 R HN 0.548 nan 8.270 nan 0.000 0.474 231 F N 0.416 120.364 119.950 -0.003 0.000 2.603 231 F HA 0.339 4.872 4.527 0.010 0.000 0.317 231 F C 0.501 176.181 175.800 -0.201 0.000 1.066 231 F CA -1.085 56.862 58.000 -0.088 0.000 0.941 231 F CB 1.201 40.067 39.000 -0.224 0.000 1.291 231 F HN 0.541 nan 8.300 nan 0.000 0.472 232 N N 0.374 119.068 118.700 -0.010 0.000 2.327 232 N HA -0.006 4.741 4.740 0.012 0.000 0.257 232 N C 0.577 175.959 175.510 -0.214 0.000 1.281 232 N CA 0.036 53.039 53.050 -0.078 0.000 0.942 232 N CB 0.173 38.639 38.487 -0.036 0.000 1.199 232 N HN 0.717 nan 8.380 nan 0.000 0.532 233 D N -1.648 118.662 120.400 -0.149 0.000 2.271 233 D HA -0.229 4.418 4.640 0.012 0.000 0.207 233 D C 0.091 176.279 176.300 -0.187 0.000 0.983 233 D CA 1.474 55.376 54.000 -0.163 0.000 0.878 233 D CB -0.441 40.322 40.800 -0.062 0.000 0.920 233 D HN 0.736 nan 8.370 nan 0.000 0.479 234 D N -2.152 118.173 120.400 -0.126 0.000 2.563 234 D HA 0.050 4.697 4.640 0.012 0.000 0.237 234 D C 0.173 176.625 176.300 0.254 0.000 1.282 234 D CA -0.969 53.074 54.000 0.070 0.000 0.816 234 D CB -1.175 39.694 40.800 0.114 0.000 1.066 234 D HN 0.149 nan 8.370 nan 0.000 0.501 235 F N 0.454 120.487 119.950 0.138 0.000 3.006 235 F HA -0.312 4.222 4.527 0.011 0.000 0.289 235 F C 1.742 177.658 175.800 0.194 0.000 0.772 235 F CA 0.850 58.971 58.000 0.202 0.000 1.162 235 F CB -2.388 36.596 39.000 -0.026 0.000 1.382 235 F HN 0.209 nan 8.300 nan 0.000 0.406 236 S N -0.608 115.228 115.700 0.226 0.000 2.527 236 S HA 0.160 4.637 4.470 0.012 0.000 0.222 236 S C 0.672 175.343 174.600 0.119 0.000 0.985 236 S CA 0.164 58.456 58.200 0.153 0.000 0.921 236 S CB 0.241 63.498 63.200 0.095 0.000 0.772 236 S HN 0.457 nan 8.310 nan 0.000 0.529 237 R N 0.186 120.765 120.500 0.131 0.000 2.651 237 R HA 0.808 5.155 4.340 0.012 0.000 0.278 237 R C -1.310 175.000 176.300 0.017 0.000 1.010 237 R CA -0.475 55.658 56.100 0.054 0.000 0.896 237 R CB 2.045 32.348 30.300 0.005 0.000 1.211 237 R HN 0.201 nan 8.270 nan 0.000 0.456 238 A N 1.465 124.233 122.820 -0.088 0.000 2.527 238 A HA 0.762 5.089 4.320 0.012 0.000 0.293 238 A C -1.256 176.237 177.584 -0.151 0.000 1.117 238 A CA -0.714 51.173 52.037 -0.250 0.000 0.723 238 A CB 2.200 20.976 19.000 -0.373 0.000 1.313 238 A HN 0.319 nan 8.150 nan 0.000 0.411 239 V N 1.160 120.958 119.914 -0.193 0.000 2.487 239 V HA 0.451 4.578 4.120 0.012 0.000 0.298 239 V C -0.571 175.448 176.094 -0.125 0.000 1.028 239 V CA -0.347 61.881 62.300 -0.119 0.000 0.860 239 V CB 1.391 33.151 31.823 -0.105 0.000 0.991 239 V HN 0.792 nan 8.190 nan 0.000 0.427 240 L N 4.992 126.173 121.223 -0.068 0.000 2.264 240 L HA 0.584 4.931 4.340 0.012 0.000 0.289 240 L C -0.095 176.725 176.870 -0.084 0.000 1.044 240 L CA 0.132 54.906 54.840 -0.110 0.000 0.807 240 L CB 0.794 42.818 42.059 -0.058 0.000 1.192 240 L HN 0.663 nan 8.230 nan 0.000 0.425 241 E N 4.713 124.865 120.200 -0.082 0.000 2.199 241 E HA 0.605 4.962 4.350 0.012 0.000 0.265 241 E C -1.147 175.442 176.600 -0.019 0.000 0.882 241 E CA -0.820 55.552 56.400 -0.047 0.000 0.759 241 E CB 2.073 31.749 29.700 -0.039 0.000 1.148 241 E HN 0.677 nan 8.360 nan 0.000 0.412 242 A N 3.552 126.368 122.820 -0.007 0.000 2.311 242 A HA 0.299 4.626 4.320 0.012 0.000 0.306 242 A C -0.540 177.052 177.584 0.013 0.000 1.189 242 A CA -0.615 51.443 52.037 0.034 0.000 0.791 242 A CB 0.954 19.974 19.000 0.034 0.000 1.172 242 A HN 0.641 nan 8.150 nan 0.000 0.481 243 E N 2.578 122.792 120.200 0.023 0.000 2.156 243 E HA 0.554 4.911 4.350 0.012 0.000 0.279 243 E C -1.388 175.181 176.600 -0.051 0.000 0.965 243 E CA -0.335 56.043 56.400 -0.036 0.000 0.789 243 E CB 1.255 30.924 29.700 -0.050 0.000 1.098 243 E HN 0.396 nan 8.360 nan 0.000 0.397 244 V N 4.722 124.616 119.914 -0.033 0.000 2.604 244 V HA 0.298 4.425 4.120 0.012 0.000 0.305 244 V C -0.464 175.704 176.094 0.124 0.000 1.043 244 V CA -0.841 61.483 62.300 0.040 0.000 0.888 244 V CB 1.787 33.611 31.823 0.002 0.000 0.995 244 V HN 0.703 nan 8.190 nan 0.000 0.429 245 Q N 4.237 124.119 119.800 0.137 0.000 2.345 245 Q HA 0.843 5.190 4.340 0.012 0.000 0.268 245 Q C -0.907 175.169 176.000 0.127 0.000 1.054 245 Q CA -0.937 54.953 55.803 0.145 0.000 0.835 245 Q CB 2.775 31.529 28.738 0.027 0.000 1.339 245 Q HN 0.799 nan 8.270 nan 0.000 0.447 246 M N -0.865 118.731 119.600 -0.007 0.000 2.690 246 M HA 0.759 5.246 4.480 0.012 0.000 0.302 246 M C -1.332 174.886 176.300 -0.137 0.000 1.234 246 M CA -0.584 54.631 55.300 -0.142 0.000 0.853 246 M CB 1.756 34.066 32.600 -0.483 0.000 1.748 246 M HN 0.562 nan 8.290 nan 0.000 0.469 247 C N 0.694 119.921 119.300 -0.122 0.000 2.802 247 C HA 1.014 5.481 4.460 0.012 0.000 0.307 247 C C 0.640 175.564 174.990 -0.110 0.000 1.222 247 C CA 0.814 59.778 59.018 -0.090 0.000 1.580 247 C CB 1.068 28.783 27.740 -0.042 0.000 2.119 247 C HN 1.439 nan 8.230 nan 0.000 0.479 248 G N 1.864 110.608 108.800 -0.094 0.000 2.416 248 G HA2 -0.085 3.882 3.960 0.012 0.000 0.203 248 G HA3 -0.085 3.882 3.960 0.012 0.000 0.203 248 G C -0.558 174.284 174.900 -0.097 0.000 1.227 248 G CA -0.337 44.713 45.100 -0.084 0.000 1.041 248 G HN 0.896 nan 8.290 nan 0.000 0.546 249 E N 0.732 120.886 120.200 -0.078 0.000 1.939 249 E HA 0.282 4.639 4.350 0.012 0.000 0.259 249 E C 0.402 176.919 176.600 -0.139 0.000 1.259 249 E CA -0.270 56.087 56.400 -0.073 0.000 0.971 249 E CB -0.200 29.493 29.700 -0.012 0.000 1.055 249 E HN 0.413 nan 8.360 nan 0.000 0.420 250 L N 5.811 126.930 121.223 -0.174 0.000 2.385 250 L HA 0.204 4.551 4.340 0.012 0.000 0.281 250 L C -0.204 176.512 176.870 -0.257 0.000 1.106 250 L CA 0.084 54.781 54.840 -0.239 0.000 0.856 250 L CB -0.043 41.898 42.059 -0.197 0.000 1.186 250 L HN 0.457 nan 8.230 nan 0.000 0.453 251 R N 2.604 122.866 120.500 -0.397 0.000 2.774 251 R HA 0.222 4.569 4.340 0.012 0.000 0.272 251 R C -0.142 175.849 176.300 -0.516 0.000 1.000 251 R CA -0.814 54.960 56.100 -0.543 0.000 0.906 251 R CB 1.229 30.876 30.300 -1.088 0.000 1.227 251 R HN 0.465 nan 8.270 nan 0.000 0.468 252 D N 0.645 120.834 120.400 -0.351 0.000 2.218 252 D HA -0.141 4.506 4.640 0.012 0.000 0.204 252 D C 1.491 177.714 176.300 -0.128 0.000 0.976 252 D CA 1.517 55.417 54.000 -0.166 0.000 0.853 252 D CB -0.143 40.617 40.800 -0.067 0.000 0.939 252 D HN 0.581 nan 8.370 nan 0.000 0.481 253 Y N -0.094 120.216 120.300 0.017 0.000 2.578 253 Y HA 0.241 4.799 4.550 0.012 0.000 0.297 253 Y C 0.444 176.353 175.900 0.016 0.000 1.176 253 Y CA -0.423 57.687 58.100 0.017 0.000 1.315 253 Y CB -1.125 37.344 38.460 0.016 0.000 1.031 253 Y HN -0.152 nan 8.280 nan 0.000 0.524 254 L N 2.678 123.843 121.223 -0.097 0.000 2.371 254 L HA 0.383 4.730 4.340 0.012 0.000 0.272 254 L C 0.137 177.047 176.870 0.067 0.000 1.124 254 L CA -0.295 54.585 54.840 0.066 0.000 0.816 254 L CB 0.633 42.704 42.059 0.020 0.000 1.129 254 L HN 0.114 nan 8.230 nan 0.000 0.448 255 R N 2.155 122.599 120.500 -0.093 0.000 2.808 255 R HA 0.678 5.025 4.340 0.012 0.000 0.272 255 R C -1.433 174.570 176.300 -0.494 0.000 0.995 255 R CA -0.840 55.044 56.100 -0.360 0.000 0.917 255 R CB 2.214 32.166 30.300 -0.580 0.000 1.217 255 R HN 0.257 nan 8.270 nan 0.000 0.471 256 V N 1.070 120.724 119.914 -0.432 0.000 2.540 256 V HA 0.492 4.619 4.120 0.012 0.000 0.302 256 V C -0.272 175.771 176.094 -0.085 0.000 1.035 256 V CA -0.542 61.593 62.300 -0.275 0.000 0.873 256 V CB 2.198 33.800 31.823 -0.368 0.000 0.992 256 V HN 0.706 nan 8.190 nan 0.000 0.428 257 T N 4.160 118.785 114.554 0.118 0.000 2.812 257 T HA 0.609 4.966 4.350 0.012 0.000 0.282 257 T C -0.650 174.081 174.700 0.051 0.000 0.990 257 T CA -0.350 61.838 62.100 0.146 0.000 0.960 257 T CB 1.577 70.604 68.868 0.265 0.000 0.948 257 T HN 0.352 nan 8.240 nan 0.000 0.438 258 V N 3.923 123.844 119.914 0.012 0.000 2.444 258 V HA 0.671 4.798 4.120 0.012 0.000 0.294 258 V C -0.058 176.050 176.094 0.024 0.000 1.022 258 V CA -0.846 61.457 62.300 0.006 0.000 0.850 258 V CB 1.673 33.482 31.823 -0.022 0.000 0.992 258 V HN 1.028 nan 8.190 nan 0.000 0.426 259 S N 5.206 120.954 115.700 0.080 0.000 2.513 259 S HA 0.872 5.349 4.470 0.012 0.000 0.299 259 S C -1.105 173.579 174.600 0.139 0.000 1.087 259 S CA -0.773 57.477 58.200 0.083 0.000 1.012 259 S CB 2.209 65.559 63.200 0.250 0.000 1.044 259 S HN 0.535 nan 8.310 nan 0.000 0.485 260 L N 2.405 123.591 121.223 -0.062 0.000 2.356 260 L HA 0.784 5.131 4.340 0.012 0.000 0.277 260 L C -1.956 174.832 176.870 -0.135 0.000 0.996 260 L CA -0.339 54.534 54.840 0.056 0.000 0.822 260 L CB 1.000 43.079 42.059 0.032 0.000 1.256 260 L HN 0.899 nan 8.230 nan 0.000 0.413 261 W N 3.168 124.562 121.300 0.156 0.000 2.736 261 W HA 0.620 5.287 4.660 0.012 0.000 0.335 261 W C -0.672 175.958 176.519 0.185 0.000 1.059 261 W CA -0.507 56.918 57.345 0.134 0.000 1.226 261 W CB 1.597 31.091 29.460 0.057 0.000 1.416 261 W HN 0.476 nan 8.180 nan 0.000 0.505 262 Q N 2.512 122.494 119.800 0.302 0.000 2.456 262 Q HA 0.552 4.899 4.340 0.012 0.000 0.252 262 Q C 0.528 176.596 176.000 0.114 0.000 1.042 262 Q CA 0.400 56.261 55.803 0.097 0.000 0.766 262 Q CB 0.763 29.505 28.738 0.006 0.000 1.196 262 Q HN 0.778 nan 8.270 nan 0.000 0.504 263 G N 2.897 111.762 108.800 0.108 0.000 2.547 263 G HA2 -0.363 3.604 3.960 0.012 0.000 0.271 263 G HA3 -0.363 3.604 3.960 0.012 0.000 0.271 263 G C 0.377 175.399 174.900 0.203 0.000 1.209 263 G CA 0.281 45.440 45.100 0.098 0.000 0.959 263 G HN 0.659 nan 8.290 nan 0.000 0.563 264 E N 0.358 120.663 120.200 0.174 0.000 2.481 264 E HA 0.168 4.525 4.350 0.012 0.000 0.195 264 E C 0.678 177.531 176.600 0.423 0.000 1.047 264 E CA 0.667 57.208 56.400 0.235 0.000 0.867 264 E CB 0.124 29.886 29.700 0.104 0.000 0.858 264 E HN 0.332 nan 8.360 nan 0.000 0.513 265 T N 1.475 116.204 114.554 0.291 0.000 2.780 265 T HA 0.076 4.433 4.350 0.012 0.000 0.294 265 T C -0.267 174.407 174.700 -0.044 0.000 0.949 265 T CA -0.261 61.918 62.100 0.131 0.000 1.074 265 T CB 1.188 70.083 68.868 0.045 0.000 0.910 265 T HN 0.051 nan 8.240 nan 0.000 0.501 266 Q N 3.183 122.677 119.800 -0.510 0.000 2.294 266 Q HA 0.317 4.664 4.340 0.012 0.000 0.257 266 Q C 0.956 176.662 176.000 -0.489 0.000 0.955 266 Q CA -0.562 54.575 55.803 -1.109 0.000 0.936 266 Q CB 0.869 28.593 28.738 -1.690 0.000 1.188 266 Q HN 0.663 nan 8.270 nan 0.000 0.420 267 V N 1.125 120.839 119.914 -0.334 0.000 3.174 267 V HA 0.571 4.698 4.120 0.012 0.000 0.254 267 V C 0.351 176.342 176.094 -0.171 0.000 1.120 267 V CA 0.873 63.081 62.300 -0.154 0.000 1.114 267 V CB -0.086 31.735 31.823 -0.003 0.000 0.756 267 V HN 0.694 nan 8.190 nan 0.000 0.467 268 A N -0.632 122.050 122.820 -0.229 0.000 2.566 268 A HA 0.822 5.149 4.320 0.012 0.000 0.290 268 A C -0.541 176.936 177.584 -0.179 0.000 1.071 268 A CA 0.180 52.114 52.037 -0.172 0.000 0.658 268 A CB 1.162 20.094 19.000 -0.112 0.000 1.285 268 A HN 1.422 nan 8.150 nan 0.000 0.427 269 S N -0.996 114.633 115.700 -0.118 0.000 2.580 269 S HA 0.701 5.178 4.470 0.012 0.000 0.281 269 S C -0.640 173.927 174.600 -0.055 0.000 1.129 269 S CA 0.390 58.538 58.200 -0.086 0.000 0.862 269 S CB 0.954 64.087 63.200 -0.112 0.000 1.090 269 S HN 2.537 nan 8.310 nan 0.000 0.451 270 G N 1.381 110.161 108.800 -0.033 0.000 2.659 270 G HA2 0.706 4.673 3.960 0.012 0.000 0.296 270 G HA3 0.706 4.673 3.960 0.012 0.000 0.296 270 G C -1.362 173.530 174.900 -0.013 0.000 1.369 270 G CA -0.521 44.561 45.100 -0.029 0.000 0.937 270 G HN 0.813 nan 8.290 nan 0.000 0.485 271 T N -0.231 114.315 114.554 -0.013 0.000 2.916 271 T HA 0.824 5.181 4.350 0.012 0.000 0.298 271 T C -0.328 174.342 174.700 -0.049 0.000 1.031 271 T CA -0.030 62.069 62.100 -0.002 0.000 0.993 271 T CB 1.763 70.662 68.868 0.052 0.000 1.045 271 T HN 1.475 nan 8.240 nan 0.000 0.454 272 A N 3.582 126.337 122.820 -0.109 0.000 2.609 272 A HA 0.956 5.283 4.320 0.012 0.000 0.291 272 A C -3.064 174.412 177.584 -0.180 0.000 1.096 272 A CA -1.617 50.346 52.037 -0.123 0.000 0.684 272 A CB 1.202 20.119 19.000 -0.138 0.000 1.282 272 A HN 0.535 nan 8.150 nan 0.000 0.412 273 P HA 0.539 nan 4.420 nan 0.000 0.282 273 P C -0.663 176.532 177.300 -0.174 0.000 1.287 273 P CA -0.319 62.714 63.100 -0.111 0.000 0.792 273 P CB 0.335 32.018 31.700 -0.028 0.000 1.163 274 F N -0.460 119.448 119.950 -0.071 0.000 2.382 274 F HA 0.514 5.048 4.527 0.012 0.000 0.331 274 F C 1.264 177.043 175.800 -0.035 0.000 1.121 274 F CA 1.313 59.281 58.000 -0.054 0.000 1.183 274 F CB 0.570 39.531 39.000 -0.066 0.000 1.207 274 F HN 0.552 nan 8.300 nan 0.000 0.555 275 G N 1.718 110.630 108.800 0.186 0.000 3.084 275 G HA2 0.350 4.317 3.960 0.012 0.000 0.543 275 G HA3 0.350 4.317 3.960 0.012 0.000 0.543 275 G C -0.487 174.460 174.900 0.078 0.000 1.239 275 G CA -0.732 44.439 45.100 0.119 0.000 1.190 275 G HN 1.032 nan 8.290 nan 0.000 0.549 276 G N 1.003 109.872 108.800 0.114 0.000 2.621 276 G HA2 0.652 4.619 3.960 0.012 0.000 0.271 276 G HA3 0.652 4.619 3.960 0.012 0.000 0.271 276 G C 0.514 175.454 174.900 0.066 0.000 1.236 276 G CA -0.069 45.085 45.100 0.091 0.000 0.958 276 G HN 0.962 nan 8.290 nan 0.000 0.512 277 E N -0.503 119.729 120.200 0.053 0.000 2.425 277 E HA 0.014 4.371 4.350 0.012 0.000 0.258 277 E C 0.090 176.716 176.600 0.043 0.000 1.151 277 E CA -0.171 56.251 56.400 0.037 0.000 0.958 277 E CB 0.897 30.616 29.700 0.030 0.000 0.968 277 E HN 0.292 nan 8.360 nan 0.000 0.451 278 I N 1.715 122.299 120.570 0.024 0.000 2.618 278 I HA -0.067 4.110 4.170 0.012 0.000 0.284 278 I C 1.400 177.529 176.117 0.021 0.000 1.146 278 I CA 0.294 61.602 61.300 0.013 0.000 1.425 278 I CB 0.207 38.209 38.000 0.003 0.000 1.383 278 I HN 0.554 nan 8.210 nan 0.000 0.562 279 I N 1.241 121.822 120.570 0.017 0.000 4.323 279 I HA 0.332 4.509 4.170 0.012 0.000 0.328 279 I C -0.442 175.682 176.117 0.012 0.000 1.310 279 I CA -0.163 61.156 61.300 0.031 0.000 1.186 279 I CB 0.537 38.583 38.000 0.076 0.000 1.130 279 I HN 0.570 nan 8.210 nan 0.000 0.411 280 D N -0.564 119.830 120.400 -0.010 0.000 2.713 280 D HA 0.176 4.823 4.640 0.012 0.000 0.306 280 D C 0.167 176.455 176.300 -0.021 0.000 1.299 280 D CA -0.567 53.426 54.000 -0.012 0.000 0.823 280 D CB 0.727 41.518 40.800 -0.014 0.000 1.353 280 D HN -0.139 nan 8.370 nan 0.000 0.447 281 E N -0.813 119.376 120.200 -0.019 0.000 2.187 281 E HA -0.138 4.219 4.350 0.012 0.000 0.199 281 E C 1.131 177.714 176.600 -0.029 0.000 1.004 281 E CA 1.148 57.536 56.400 -0.020 0.000 0.813 281 E CB -0.075 29.616 29.700 -0.015 0.000 0.736 281 E HN 0.234 nan 8.360 nan 0.000 0.468 282 R N 0.188 120.662 120.500 -0.042 0.000 2.363 282 R HA 0.255 4.602 4.340 0.012 0.000 0.236 282 R C 0.860 177.118 176.300 -0.069 0.000 0.966 282 R CA 0.668 56.734 56.100 -0.055 0.000 1.100 282 R CB -0.214 30.044 30.300 -0.070 0.000 1.125 282 R HN 0.238 nan 8.270 nan 0.000 0.514 283 G N -0.499 108.266 108.800 -0.057 0.000 2.503 283 G HA2 -0.213 3.754 3.960 0.012 0.000 0.235 283 G HA3 -0.213 3.754 3.960 0.012 0.000 0.235 283 G C 0.016 174.873 174.900 -0.072 0.000 1.179 283 G CA -0.535 44.531 45.100 -0.056 0.000 0.944 283 G HN 0.568 nan 8.290 nan 0.000 0.580 284 G N -2.166 106.584 108.800 -0.083 0.000 3.105 284 G HA2 0.656 4.623 3.960 0.012 0.000 0.277 284 G HA3 0.656 4.623 3.960 0.012 0.000 0.277 284 G C -1.505 173.290 174.900 -0.175 0.000 1.375 284 G CA -0.640 44.413 45.100 -0.078 0.000 0.962 284 G HN 0.795 nan 8.290 nan 0.000 0.541 285 Y N 0.857 121.171 120.300 0.022 0.000 2.452 285 Y HA 0.430 4.987 4.550 0.011 0.000 0.348 285 Y C 1.388 177.314 175.900 0.044 0.000 0.985 285 Y CA 0.229 58.347 58.100 0.030 0.000 1.214 285 Y CB 1.720 40.205 38.460 0.042 0.000 1.136 285 Y HN 0.537 nan 8.280 nan 0.000 0.523 286 A N 1.817 124.696 122.820 0.098 0.000 2.119 286 A HA -0.101 4.226 4.320 0.012 0.000 0.216 286 A C 1.339 178.987 177.584 0.106 0.000 1.152 286 A CA 1.142 53.226 52.037 0.080 0.000 0.708 286 A CB -0.239 18.765 19.000 0.007 0.000 0.805 286 A HN 0.783 nan 8.150 nan 0.000 0.460 287 D N -0.599 119.869 120.400 0.113 0.000 2.358 287 D HA 0.106 4.753 4.640 0.012 0.000 0.224 287 D C 0.475 176.895 176.300 0.201 0.000 1.123 287 D CA -0.051 53.947 54.000 -0.004 0.000 0.833 287 D CB -0.051 40.723 40.800 -0.044 0.000 0.946 287 D HN 0.397 nan 8.370 nan 0.000 0.505 288 R N -0.670 120.070 120.500 0.400 0.000 2.837 288 R HA 0.765 5.112 4.340 0.012 0.000 0.271 288 R C -1.459 174.989 176.300 0.247 0.000 0.993 288 R CA -1.191 55.123 56.100 0.358 0.000 0.931 288 R CB 3.080 33.455 30.300 0.125 0.000 1.206 288 R HN -0.022 nan 8.270 nan 0.000 0.474 289 V N 0.323 120.244 119.914 0.010 0.000 3.048 289 V HA 0.472 4.599 4.120 0.012 0.000 0.303 289 V C -1.501 174.519 176.094 -0.123 0.000 1.214 289 V CA -0.308 61.896 62.300 -0.160 0.000 0.984 289 V CB 2.782 34.322 31.823 -0.471 0.000 1.054 289 V HN 0.822 nan 8.190 nan 0.000 0.430 290 T N 7.368 121.866 114.554 -0.094 0.000 2.786 290 T HA 0.613 4.970 4.350 0.012 0.000 0.283 290 T C -0.909 173.745 174.700 -0.077 0.000 0.992 290 T CA -0.387 61.672 62.100 -0.068 0.000 0.954 290 T CB 1.039 69.884 68.868 -0.038 0.000 0.934 290 T HN 0.441 nan 8.240 nan 0.000 0.440 291 L N 3.435 124.614 121.223 -0.072 0.000 2.334 291 L HA 0.633 4.980 4.340 0.012 0.000 0.272 291 L C 0.310 177.149 176.870 -0.051 0.000 1.020 291 L CA -0.616 54.183 54.840 -0.068 0.000 0.812 291 L CB 1.658 43.675 42.059 -0.070 0.000 1.264 291 L HN 0.594 nan 8.230 nan 0.000 0.439 292 R N 3.402 123.873 120.500 -0.049 0.000 2.502 292 R HA 0.652 4.999 4.340 0.012 0.000 0.300 292 R C -1.267 175.005 176.300 -0.047 0.000 0.984 292 R CA -0.683 55.389 56.100 -0.047 0.000 0.882 292 R CB 2.103 32.376 30.300 -0.045 0.000 1.180 292 R HN 0.441 nan 8.270 nan 0.000 0.444 293 L N 2.901 124.096 121.223 -0.046 0.000 2.313 293 L HA 0.452 4.799 4.340 0.012 0.000 0.283 293 L C -0.242 176.600 176.870 -0.048 0.000 1.013 293 L CA -1.100 53.712 54.840 -0.046 0.000 0.816 293 L CB 1.551 43.585 42.059 -0.041 0.000 1.236 293 L HN 0.492 nan 8.230 nan 0.000 0.419 294 N N 2.428 121.096 118.700 -0.054 0.000 2.499 294 N HA 0.388 5.135 4.740 0.012 0.000 0.281 294 N C -0.760 174.706 175.510 -0.072 0.000 1.098 294 N CA -0.235 52.779 53.050 -0.059 0.000 0.979 294 N CB 2.665 41.119 38.487 -0.055 0.000 1.121 294 N HN 0.215 nan 8.380 nan 0.000 0.466 295 V N 1.865 121.727 119.914 -0.088 0.000 2.482 295 V HA 0.164 4.291 4.120 0.012 0.000 0.295 295 V C -0.061 175.958 176.094 -0.125 0.000 1.026 295 V CA -0.828 61.387 62.300 -0.142 0.000 0.856 295 V CB 1.878 33.543 31.823 -0.263 0.000 1.001 295 V HN 0.466 nan 8.190 nan 0.000 0.424 296 E N 3.569 123.714 120.200 -0.091 0.000 2.313 296 E HA 0.285 4.642 4.350 0.012 0.000 0.276 296 E C 0.427 177.004 176.600 -0.040 0.000 1.031 296 E CA -0.146 56.224 56.400 -0.050 0.000 0.857 296 E CB 0.562 30.241 29.700 -0.035 0.000 1.040 296 E HN 0.651 nan 8.360 nan 0.000 0.408 297 N N 2.353 121.053 118.700 0.001 0.000 2.689 297 N HA -0.149 4.598 4.740 0.012 0.000 0.263 297 N C -2.219 173.299 175.510 0.013 0.000 0.987 297 N CA 0.253 53.320 53.050 0.029 0.000 0.782 297 N CB -0.950 37.554 38.487 0.029 0.000 0.903 297 N HN 0.294 nan 8.380 nan 0.000 0.547 298 P HA 0.053 nan 4.420 nan 0.000 0.269 298 P C 0.083 177.422 177.300 0.064 0.000 1.215 298 P CA 0.327 63.360 63.100 -0.111 0.000 0.780 298 P CB 0.850 32.325 31.700 -0.375 0.000 0.898 299 K N 1.932 122.443 120.400 0.185 0.000 2.276 299 K HA 0.324 4.651 4.320 0.012 0.000 0.285 299 K C 0.033 176.784 176.600 0.251 0.000 1.062 299 K CA -0.470 55.906 56.287 0.149 0.000 0.918 299 K CB 0.289 32.804 32.500 0.026 0.000 1.055 299 K HN 0.408 nan 8.250 nan 0.000 0.477 300 L N 2.654 123.959 121.223 0.136 0.000 2.350 300 L HA 0.317 4.664 4.340 0.012 0.000 0.275 300 L C -0.138 176.803 176.870 0.119 0.000 1.099 300 L CA -0.765 54.152 54.840 0.127 0.000 0.808 300 L CB 0.449 42.428 42.059 -0.134 0.000 1.149 300 L HN 0.597 nan 8.230 nan 0.000 0.442 301 W N 3.368 124.695 121.300 0.045 0.000 2.438 301 W HA 0.540 5.207 4.660 0.011 0.000 0.324 301 W C -0.062 176.423 176.519 -0.056 0.000 1.119 301 W CA 0.094 57.459 57.345 0.032 0.000 1.221 301 W CB 1.421 30.953 29.460 0.120 0.000 1.253 301 W HN 0.627 nan 8.180 nan 0.000 0.555 302 S N 2.863 118.018 115.700 -0.909 0.000 2.615 302 S HA 0.564 5.042 4.470 0.012 0.000 0.268 302 S C -0.006 173.800 174.600 -1.323 0.000 1.146 302 S CA -0.355 57.363 58.200 -0.804 0.000 0.818 302 S CB 0.956 64.039 63.200 -0.195 0.000 1.111 302 S HN 1.085 nan 8.310 nan 0.000 0.465 303 A N 0.468 122.618 122.820 -1.115 0.000 2.067 303 A HA 0.073 4.400 4.320 0.012 0.000 0.219 303 A C 1.738 178.995 177.584 -0.546 0.000 1.158 303 A CA 1.492 52.915 52.037 -1.023 0.000 0.661 303 A CB -0.886 17.302 19.000 -1.354 0.000 0.801 303 A HN 0.859 nan 8.150 nan 0.000 0.452 304 E N -1.175 118.838 120.200 -0.311 0.000 2.051 304 E HA 0.023 4.380 4.350 0.012 0.000 0.189 304 E C -0.564 175.895 176.600 -0.235 0.000 0.979 304 E CA 0.643 56.932 56.400 -0.185 0.000 0.803 304 E CB 0.069 29.797 29.700 0.046 0.000 0.761 304 E HN 0.536 nan 8.360 nan 0.000 0.451 305 I N 1.455 121.863 120.570 -0.269 0.000 2.521 305 I HA 0.128 4.305 4.170 0.012 0.000 0.277 305 I C -2.444 173.448 176.117 -0.375 0.000 1.054 305 I CA -1.998 59.160 61.300 -0.237 0.000 1.117 305 I CB 2.086 39.998 38.000 -0.146 0.000 1.217 305 I HN -0.183 nan 8.210 nan 0.000 0.469 306 P HA 0.098 nan 4.420 nan 0.000 0.225 306 P C -0.649 176.646 177.300 -0.010 0.000 1.768 306 P CA -0.266 62.566 63.100 -0.448 0.000 0.943 306 P CB -0.358 31.214 31.700 -0.213 0.000 1.936 307 N N 1.619 120.328 118.700 0.016 0.000 2.447 307 N HA 0.118 4.865 4.740 0.012 0.000 0.263 307 N C 0.099 175.814 175.510 0.342 0.000 1.226 307 N CA 0.476 53.598 53.050 0.121 0.000 0.906 307 N CB 0.680 39.218 38.487 0.085 0.000 1.060 307 N HN 0.292 nan 8.380 nan 0.000 0.468 308 L N 2.310 123.668 121.223 0.226 0.000 2.354 308 L HA 0.503 4.850 4.340 0.012 0.000 0.264 308 L C -0.772 176.202 176.870 0.174 0.000 1.008 308 L CA -0.881 54.138 54.840 0.298 0.000 0.819 308 L CB 1.284 43.486 42.059 0.238 0.000 1.339 308 L HN 0.385 nan 8.230 nan 0.000 0.420 309 Y N 0.137 120.588 120.300 0.251 0.000 2.650 309 Y HA 0.684 5.242 4.550 0.012 0.000 0.331 309 Y C -0.264 175.759 175.900 0.205 0.000 1.082 309 Y CA -0.900 57.344 58.100 0.241 0.000 1.171 309 Y CB 1.654 40.308 38.460 0.323 0.000 1.326 309 Y HN 0.383 nan 8.280 nan 0.000 0.513 310 R N 0.913 121.649 120.500 0.392 0.000 2.534 310 R HA 0.835 5.182 4.340 0.012 0.000 0.301 310 R C -1.781 174.698 176.300 0.297 0.000 0.961 310 R CA -0.540 55.721 56.100 0.269 0.000 0.871 310 R CB 1.296 31.702 30.300 0.176 0.000 1.170 310 R HN 0.759 nan 8.270 nan 0.000 0.446 311 A N 3.695 126.640 122.820 0.208 0.000 2.318 311 A HA 0.654 4.981 4.320 0.012 0.000 0.324 311 A C -1.149 176.494 177.584 0.098 0.000 1.170 311 A CA -0.681 51.462 52.037 0.176 0.000 0.810 311 A CB 1.462 20.535 19.000 0.121 0.000 1.198 311 A HN 0.477 nan 8.150 nan 0.000 0.484 312 V N 3.149 123.124 119.914 0.101 0.000 2.409 312 V HA 0.366 4.493 4.120 0.012 0.000 0.291 312 V C -0.383 175.688 176.094 -0.039 0.000 1.020 312 V CA -0.510 61.788 62.300 -0.004 0.000 0.848 312 V CB 1.607 33.419 31.823 -0.018 0.000 0.990 312 V HN 0.611 nan 8.190 nan 0.000 0.430 313 V N 4.882 124.704 119.914 -0.153 0.000 2.294 313 V HA 0.359 4.486 4.120 0.012 0.000 0.272 313 V C 0.118 176.148 176.094 -0.106 0.000 1.027 313 V CA -0.515 61.668 62.300 -0.195 0.000 0.823 313 V CB 0.882 32.416 31.823 -0.483 0.000 1.030 313 V HN 0.904 nan 8.190 nan 0.000 0.457 314 E N 3.675 123.873 120.200 -0.002 0.000 2.174 314 E HA 0.459 4.816 4.350 0.012 0.000 0.282 314 E C -0.823 175.881 176.600 0.173 0.000 0.992 314 E CA -0.791 55.660 56.400 0.085 0.000 0.803 314 E CB 2.259 32.025 29.700 0.111 0.000 1.090 314 E HN 0.460 nan 8.360 nan 0.000 0.396 315 L N 4.880 126.181 121.223 0.131 0.000 2.272 315 L HA 0.387 4.734 4.340 0.012 0.000 0.289 315 L C -0.996 175.992 176.870 0.197 0.000 1.032 315 L CA 0.104 55.016 54.840 0.120 0.000 0.810 315 L CB 0.092 42.194 42.059 0.073 0.000 1.205 315 L HN 0.671 nan 8.230 nan 0.000 0.422 316 H N 0.006 119.131 119.070 0.092 0.000 2.932 316 H HA 0.636 5.199 4.556 0.012 0.000 0.307 316 H C -0.780 174.627 175.328 0.130 0.000 1.391 316 H CA -0.572 55.527 56.048 0.084 0.000 1.130 316 H CB 0.421 30.212 29.762 0.048 0.000 1.836 316 H HN 0.527 nan 8.280 nan 0.000 0.522 317 T N -1.586 113.121 114.554 0.255 0.000 2.899 317 T HA 0.447 4.804 4.350 0.012 0.000 0.295 317 T C 1.466 176.326 174.700 0.266 0.000 1.033 317 T CA -0.272 61.963 62.100 0.224 0.000 1.084 317 T CB 1.345 70.245 68.868 0.053 0.000 0.979 317 T HN 0.941 nan 8.240 nan 0.000 0.532 318 A N 1.396 124.338 122.820 0.203 0.000 1.978 318 A HA -0.065 4.262 4.320 0.012 0.000 0.220 318 A C 1.789 179.474 177.584 0.168 0.000 1.170 318 A CA 1.359 53.507 52.037 0.184 0.000 0.636 318 A CB -0.710 18.365 19.000 0.126 0.000 0.810 318 A HN 0.883 nan 8.150 nan 0.000 0.448 319 D N -1.370 119.100 120.400 0.116 0.000 2.336 319 D HA 0.263 4.911 4.640 0.012 0.000 0.229 319 D C 1.314 177.646 176.300 0.053 0.000 1.061 319 D CA 1.118 55.156 54.000 0.064 0.000 0.875 319 D CB 0.150 40.964 40.800 0.023 0.000 0.904 319 D HN 0.626 nan 8.370 nan 0.000 0.525 320 G N 0.017 108.871 108.800 0.091 0.000 2.211 320 G HA2 -0.214 3.753 3.960 0.012 0.000 0.201 320 G HA3 -0.214 3.753 3.960 0.012 0.000 0.201 320 G C 0.502 175.410 174.900 0.014 0.000 0.997 320 G CA -0.230 44.883 45.100 0.022 0.000 0.652 320 G HN 0.256 nan 8.290 nan 0.000 0.500 321 T N 2.099 116.683 114.554 0.050 0.000 2.737 321 T HA 0.488 4.845 4.350 0.012 0.000 0.296 321 T C 0.200 174.948 174.700 0.080 0.000 0.922 321 T CA -0.098 62.023 62.100 0.034 0.000 1.079 321 T CB 1.539 70.412 68.868 0.009 0.000 0.892 321 T HN 0.554 nan 8.240 nan 0.000 0.514 322 L N 5.687 126.935 121.223 0.042 0.000 2.361 322 L HA 0.333 4.680 4.340 0.012 0.000 0.278 322 L C 0.852 177.763 176.870 0.068 0.000 1.113 322 L CA 0.340 55.221 54.840 0.067 0.000 0.849 322 L CB -0.034 42.035 42.059 0.017 0.000 1.155 322 L HN 0.688 nan 8.230 nan 0.000 0.452 323 I N 3.065 123.692 120.570 0.095 0.000 2.270 323 I HA 0.039 4.216 4.170 0.012 0.000 0.239 323 I C 0.467 176.604 176.117 0.033 0.000 1.080 323 I CA 0.722 62.057 61.300 0.059 0.000 1.383 323 I CB 0.074 38.114 38.000 0.066 0.000 1.097 323 I HN 0.806 nan 8.210 nan 0.000 0.420 324 E N 0.146 120.367 120.200 0.034 0.000 2.423 324 E HA 0.719 5.076 4.350 0.012 0.000 0.280 324 E C -1.490 175.127 176.600 0.028 0.000 1.030 324 E CA -1.106 55.305 56.400 0.017 0.000 0.812 324 E CB 1.952 31.631 29.700 -0.035 0.000 1.313 324 E HN 0.006 nan 8.360 nan 0.000 0.456 325 A N 1.340 124.200 122.820 0.066 0.000 2.414 325 A HA 0.673 5.000 4.320 0.012 0.000 0.306 325 A C -1.015 176.661 177.584 0.154 0.000 1.054 325 A CA -0.755 51.323 52.037 0.069 0.000 0.724 325 A CB 1.640 20.673 19.000 0.056 0.000 1.267 325 A HN 0.519 nan 8.150 nan 0.000 0.418 326 E N -0.218 120.001 120.200 0.033 0.000 2.339 326 E HA 0.859 5.216 4.350 0.012 0.000 0.262 326 E C -0.410 176.200 176.600 0.016 0.000 0.934 326 E CA -0.464 55.984 56.400 0.081 0.000 0.802 326 E CB 2.343 31.965 29.700 -0.130 0.000 1.275 326 E HN 1.256 nan 8.360 nan 0.000 0.427 327 A N -0.187 122.753 122.820 0.199 0.000 2.544 327 A HA 0.705 5.032 4.320 0.012 0.000 0.291 327 A C -1.214 176.561 177.584 0.319 0.000 1.055 327 A CA -0.302 51.806 52.037 0.120 0.000 0.651 327 A CB 0.613 19.631 19.000 0.031 0.000 1.296 327 A HN 0.934 nan 8.150 nan 0.000 0.431 328 C N -0.789 118.655 119.300 0.240 0.000 3.306 328 C HA 0.805 5.272 4.460 0.012 0.000 0.335 328 C C -1.551 173.538 174.990 0.166 0.000 1.382 328 C CA -0.900 58.260 59.018 0.237 0.000 1.254 328 C CB 0.976 28.876 27.740 0.267 0.000 1.555 328 C HN 0.835 nan 8.230 nan 0.000 0.463 329 D N 0.932 121.415 120.400 0.137 0.000 2.255 329 D HA 0.593 5.240 4.640 0.012 0.000 0.249 329 D C -0.410 175.956 176.300 0.111 0.000 1.078 329 D CA 0.092 54.176 54.000 0.139 0.000 0.896 329 D CB 1.899 42.781 40.800 0.136 0.000 1.194 329 D HN 0.570 nan 8.370 nan 0.000 0.429 330 V N 1.012 121.022 119.914 0.160 0.000 2.540 330 V HA 0.659 4.786 4.120 0.012 0.000 0.302 330 V C 0.573 176.776 176.094 0.183 0.000 1.035 330 V CA -0.887 61.469 62.300 0.092 0.000 0.873 330 V CB 1.998 33.861 31.823 0.067 0.000 0.992 330 V HN 0.611 nan 8.190 nan 0.000 0.428 331 G N 3.237 112.036 108.800 -0.001 0.000 2.468 331 G HA2 0.581 4.548 3.960 0.012 0.000 0.315 331 G HA3 0.581 4.548 3.960 0.012 0.000 0.315 331 G C -0.914 174.072 174.900 0.143 0.000 1.203 331 G CA -0.353 44.804 45.100 0.095 0.000 0.962 331 G HN 0.430 nan 8.290 nan 0.000 0.476 332 F N 4.302 124.443 119.950 0.318 0.000 2.462 332 F HA 0.426 4.959 4.527 0.011 0.000 0.360 332 F C 1.142 177.193 175.800 0.418 0.000 1.134 332 F CA 0.002 58.235 58.000 0.390 0.000 1.148 332 F CB 0.612 39.874 39.000 0.437 0.000 1.147 332 F HN 0.471 nan 8.300 nan 0.000 0.550 333 R N 3.036 123.812 120.500 0.460 0.000 2.664 333 R HA 0.367 4.714 4.340 0.012 0.000 0.266 333 R C -1.858 174.591 176.300 0.248 0.000 1.046 333 R CA -0.814 55.425 56.100 0.232 0.000 0.885 333 R CB 1.398 31.848 30.300 0.251 0.000 1.254 333 R HN 0.577 nan 8.270 nan 0.000 0.465 334 E N 2.048 122.291 120.200 0.072 0.000 2.171 334 E HA 0.487 4.844 4.350 0.012 0.000 0.271 334 E C -1.199 175.456 176.600 0.091 0.000 0.916 334 E CA -0.918 55.588 56.400 0.176 0.000 0.774 334 E CB 2.043 31.911 29.700 0.281 0.000 1.128 334 E HN 0.397 nan 8.360 nan 0.000 0.403 335 V N 5.613 125.582 119.914 0.093 0.000 2.444 335 V HA 0.587 4.714 4.120 0.012 0.000 0.294 335 V C -0.259 175.870 176.094 0.058 0.000 1.022 335 V CA -0.647 61.683 62.300 0.049 0.000 0.850 335 V CB 1.291 33.123 31.823 0.016 0.000 0.992 335 V HN 0.753 nan 8.190 nan 0.000 0.426 336 R N 4.311 124.842 120.500 0.051 0.000 2.664 336 R HA 0.675 5.022 4.340 0.012 0.000 0.266 336 R C -2.240 174.084 176.300 0.041 0.000 1.046 336 R CA -0.894 55.240 56.100 0.056 0.000 0.885 336 R CB 1.783 32.132 30.300 0.080 0.000 1.254 336 R HN 0.530 nan 8.270 nan 0.000 0.465 337 I N 1.648 122.242 120.570 0.039 0.000 2.339 337 I HA 0.342 4.519 4.170 0.012 0.000 0.290 337 I C -0.619 175.519 176.117 0.035 0.000 0.994 337 I CA -0.432 60.886 61.300 0.030 0.000 1.191 337 I CB 1.829 39.848 38.000 0.031 0.000 1.343 337 I HN 0.682 nan 8.210 nan 0.000 0.458 338 E N 5.675 125.893 120.200 0.030 0.000 2.275 338 E HA 0.264 4.621 4.350 0.012 0.000 0.270 338 E C -0.203 176.411 176.600 0.023 0.000 0.882 338 E CA -0.543 55.876 56.400 0.032 0.000 0.758 338 E CB 1.059 30.783 29.700 0.041 0.000 1.195 338 E HN 0.531 nan 8.360 nan 0.000 0.419 339 N N 3.130 121.844 118.700 0.023 0.000 2.725 339 N HA -0.243 4.504 4.740 0.012 0.000 0.249 339 N C 0.421 175.939 175.510 0.012 0.000 1.103 339 N CA 2.039 55.100 53.050 0.017 0.000 0.707 339 N CB -1.109 37.388 38.487 0.016 0.000 1.043 339 N HN 0.933 nan 8.380 nan 0.000 0.553 340 G N -2.549 106.258 108.800 0.012 0.000 2.175 340 G HA2 -0.265 3.702 3.960 0.012 0.000 0.244 340 G HA3 -0.265 3.702 3.960 0.012 0.000 0.244 340 G C -0.104 174.792 174.900 -0.007 0.000 0.982 340 G CA 0.386 45.489 45.100 0.006 0.000 0.641 340 G HN 0.444 nan 8.290 nan 0.000 0.527 341 L N 0.094 121.313 121.223 -0.007 0.000 2.342 341 L HA 0.755 5.102 4.340 0.012 0.000 0.271 341 L C 0.006 176.864 176.870 -0.020 0.000 1.008 341 L CA -1.353 53.474 54.840 -0.022 0.000 0.818 341 L CB 1.902 43.948 42.059 -0.021 0.000 1.296 341 L HN 0.092 nan 8.230 nan 0.000 0.427 342 L N 3.948 125.146 121.223 -0.040 0.000 2.278 342 L HA 0.475 4.822 4.340 0.012 0.000 0.287 342 L C -0.842 176.001 176.870 -0.045 0.000 1.072 342 L CA 0.297 55.112 54.840 -0.041 0.000 0.819 342 L CB 0.359 42.378 42.059 -0.066 0.000 1.176 342 L HN 0.361 nan 8.230 nan 0.000 0.435 343 L N 5.773 126.987 121.223 -0.016 0.000 2.334 343 L HA 0.592 4.939 4.340 0.012 0.000 0.273 343 L C -0.810 176.061 176.870 0.001 0.000 1.013 343 L CA -0.835 54.005 54.840 -0.000 0.000 0.816 343 L CB 1.864 43.946 42.059 0.039 0.000 1.278 343 L HN 0.544 nan 8.230 nan 0.000 0.431 344 L N 3.341 124.574 121.223 0.017 0.000 2.372 344 L HA 0.490 4.837 4.340 0.012 0.000 0.274 344 L C -0.381 176.486 176.870 -0.003 0.000 0.988 344 L CA -0.116 54.739 54.840 0.026 0.000 0.833 344 L CB 0.986 43.071 42.059 0.043 0.000 1.236 344 L HN 0.618 nan 8.230 nan 0.000 0.410 345 N N 4.145 122.685 118.700 -0.266 0.000 2.716 345 N HA -0.221 4.526 4.740 0.012 0.000 0.250 345 N C 0.921 176.010 175.510 -0.702 0.000 1.033 345 N CA 1.376 53.880 53.050 -0.910 0.000 0.727 345 N CB -1.174 36.710 38.487 -1.006 0.000 0.950 345 N HN 1.169 nan 8.380 nan 0.000 0.541 346 G N -2.263 106.468 108.800 -0.115 0.000 2.179 346 G HA2 -0.350 3.617 3.960 0.012 0.000 0.260 346 G HA3 -0.350 3.617 3.960 0.012 0.000 0.260 346 G C -0.030 174.912 174.900 0.071 0.000 0.977 346 G CA 0.876 46.047 45.100 0.119 0.000 0.641 346 G HN 0.393 nan 8.290 nan 0.000 0.533 347 K N 0.566 120.996 120.400 0.051 0.000 2.259 347 K HA 0.593 4.920 4.320 0.012 0.000 0.252 347 K C -2.789 173.793 176.600 -0.031 0.000 0.936 347 K CA -2.558 53.728 56.287 -0.002 0.000 0.810 347 K CB 2.127 34.575 32.500 -0.087 0.000 1.143 347 K HN -0.002 nan 8.250 nan 0.000 0.427 348 P HA 0.214 nan 4.420 nan 0.000 0.276 348 P C -0.077 177.158 177.300 -0.109 0.000 1.253 348 P CA -0.210 62.846 63.100 -0.074 0.000 0.766 348 P CB 0.416 32.076 31.700 -0.068 0.000 0.845 349 L N 3.317 124.467 121.223 -0.120 0.000 2.475 349 L HA 0.321 4.668 4.340 0.012 0.000 0.253 349 L C 0.585 177.361 176.870 -0.157 0.000 1.198 349 L CA -0.517 54.234 54.840 -0.149 0.000 0.814 349 L CB 0.262 42.190 42.059 -0.218 0.000 1.134 349 L HN 0.237 nan 8.230 nan 0.000 0.478 350 L N 2.724 123.866 121.223 -0.136 0.000 2.485 350 L HA 0.385 4.732 4.340 0.012 0.000 0.260 350 L C -0.572 176.234 176.870 -0.107 0.000 0.998 350 L CA -0.201 54.546 54.840 -0.156 0.000 0.883 350 L CB 0.838 42.832 42.059 -0.107 0.000 1.196 350 L HN 0.239 nan 8.230 nan 0.000 0.443 351 I N 4.473 124.910 120.570 -0.221 0.000 2.574 351 I HA 0.099 4.276 4.170 0.012 0.000 0.291 351 I C 0.665 176.725 176.117 -0.094 0.000 1.131 351 I CA 0.392 61.567 61.300 -0.209 0.000 1.352 351 I CB -0.027 37.729 38.000 -0.406 0.000 1.431 351 I HN 0.542 nan 8.210 nan 0.000 0.543 352 R N 4.738 125.276 120.500 0.064 0.000 3.171 352 R HA 0.392 4.739 4.340 0.012 0.000 0.241 352 R C 0.653 177.059 176.300 0.178 0.000 1.421 352 R CA -0.235 55.946 56.100 0.136 0.000 1.444 352 R CB 0.551 30.770 30.300 -0.135 0.000 1.247 352 R HN 0.736 nan 8.270 nan 0.000 0.636 353 G N 0.048 108.905 108.800 0.094 0.000 2.552 353 G HA2 0.593 4.560 3.960 0.012 0.000 0.324 353 G HA3 0.593 4.560 3.960 0.012 0.000 0.324 353 G C -1.260 173.925 174.900 0.474 0.000 1.217 353 G CA -0.441 44.716 45.100 0.095 0.000 0.989 353 G HN 0.239 nan 8.290 nan 0.000 0.490 354 V N -0.282 119.878 119.914 0.410 0.000 3.087 354 V HA 0.489 4.616 4.120 0.012 0.000 0.306 354 V C -1.177 175.049 176.094 0.220 0.000 1.187 354 V CA -1.213 61.224 62.300 0.228 0.000 0.999 354 V CB 2.282 33.956 31.823 -0.248 0.000 1.049 354 V HN 0.772 nan 8.190 nan 0.000 0.431 355 N N 3.762 122.517 118.700 0.092 0.000 2.518 355 N HA 0.492 5.239 4.740 0.012 0.000 0.283 355 N C -0.846 174.488 175.510 -0.292 0.000 1.119 355 N CA -0.390 52.602 53.050 -0.097 0.000 0.983 355 N CB 1.584 40.004 38.487 -0.112 0.000 1.139 355 N HN 0.641 nan 8.380 nan 0.000 0.465 356 R N 2.150 122.440 120.500 -0.350 0.000 2.510 356 R HA 0.219 4.566 4.340 0.012 0.000 0.294 356 R C -1.021 175.044 176.300 -0.391 0.000 1.056 356 R CA -0.538 55.368 56.100 -0.323 0.000 0.918 356 R CB 0.785 30.885 30.300 -0.333 0.000 1.187 356 R HN 0.603 nan 8.270 nan 0.000 0.437 357 H N 2.034 120.950 119.070 -0.257 0.000 2.505 357 H HA 0.201 4.765 4.556 0.012 0.000 0.358 357 H C -0.515 174.804 175.328 -0.015 0.000 1.304 357 H CA -0.056 55.928 56.048 -0.107 0.000 1.393 357 H CB 1.464 31.220 29.762 -0.012 0.000 1.591 357 H HN 0.571 nan 8.280 nan 0.000 0.595 358 E N 1.365 121.762 120.200 0.328 0.000 2.035 358 E HA 0.169 4.526 4.350 0.012 0.000 0.271 358 E C -0.881 175.874 176.600 0.259 0.000 0.953 358 E CA -0.159 56.355 56.400 0.190 0.000 0.777 358 E CB 0.665 30.486 29.700 0.201 0.000 1.104 358 E HN 0.401 nan 8.360 nan 0.000 0.408 359 H N 1.545 120.672 119.070 0.095 0.000 2.954 359 H HA 0.269 4.832 4.556 0.012 0.000 0.361 359 H C -1.773 173.614 175.328 0.098 0.000 1.122 359 H CA -0.668 55.433 56.048 0.088 0.000 1.217 359 H CB 1.242 31.045 29.762 0.068 0.000 1.776 359 H HN 0.420 nan 8.280 nan 0.000 0.533 360 H N 5.948 124.575 119.070 -0.738 0.000 2.667 360 H HA 0.210 4.773 4.556 0.012 0.000 0.353 360 H C -2.304 172.617 175.328 -0.678 0.000 1.072 360 H CA -2.381 53.380 56.048 -0.479 0.000 1.214 360 H CB 2.799 32.448 29.762 -0.188 0.000 1.600 360 H HN 0.553 nan 8.280 nan 0.000 0.527 361 P HA -0.101 nan 4.420 nan 0.000 0.219 361 P C 1.087 178.242 177.300 -0.241 0.000 1.146 361 P CA 0.946 63.848 63.100 -0.329 0.000 0.808 361 P CB 0.761 32.308 31.700 -0.254 0.000 0.779 362 L N -1.849 119.337 121.223 -0.062 0.000 2.349 362 L HA 0.123 4.470 4.340 0.012 0.000 0.200 362 L C 2.618 179.327 176.870 -0.269 0.000 1.064 362 L CA 0.497 55.215 54.840 -0.203 0.000 0.821 362 L CB -1.007 40.796 42.059 -0.427 0.000 1.027 362 L HN -0.049 nan 8.230 nan 0.000 0.476 363 H N 0.443 119.522 119.070 0.015 0.000 2.555 363 H HA 0.184 4.746 4.556 0.012 0.000 0.269 363 H C 1.481 176.699 175.328 -0.183 0.000 0.988 363 H CA 0.733 56.651 56.048 -0.216 0.000 1.178 363 H CB 0.046 29.529 29.762 -0.464 0.000 1.373 363 H HN 0.428 nan 8.280 nan 0.000 0.588 364 G N 1.165 109.875 108.800 -0.149 0.000 2.588 364 G HA2 -0.344 3.623 3.960 0.012 0.000 0.273 364 G HA3 -0.344 3.623 3.960 0.012 0.000 0.273 364 G C 0.626 175.443 174.900 -0.138 0.000 1.211 364 G CA 0.270 45.234 45.100 -0.225 0.000 0.958 364 G HN 0.433 nan 8.290 nan 0.000 0.543 365 Q N -0.004 119.743 119.800 -0.088 0.000 2.204 365 Q HA 0.487 4.834 4.340 0.012 0.000 0.209 365 Q C 0.193 176.307 176.000 0.189 0.000 0.861 365 Q CA -0.140 55.662 55.803 -0.002 0.000 0.971 365 Q CB 1.132 29.745 28.738 -0.209 0.000 1.095 365 Q HN 0.346 nan 8.270 nan 0.000 0.486 366 V N 1.865 121.851 119.914 0.121 0.000 2.432 366 V HA 0.229 4.356 4.120 0.012 0.000 0.275 366 V C 0.137 176.263 176.094 0.054 0.000 1.043 366 V CA -0.057 62.312 62.300 0.115 0.000 0.925 366 V CB 1.171 32.997 31.823 0.004 0.000 0.985 366 V HN 0.332 nan 8.190 nan 0.000 0.466 367 M N 4.440 124.067 119.600 0.044 0.000 2.528 367 M HA 0.530 5.017 4.480 0.012 0.000 0.318 367 M C -0.529 175.692 176.300 -0.132 0.000 1.195 367 M CA -0.576 54.703 55.300 -0.034 0.000 1.000 367 M CB 1.712 34.263 32.600 -0.080 0.000 1.615 367 M HN 0.936 nan 8.290 nan 0.000 0.469 368 D N -1.861 118.476 120.400 -0.106 0.000 2.570 368 D HA 0.246 4.893 4.640 0.012 0.000 0.244 368 D C 0.314 176.576 176.300 -0.062 0.000 1.178 368 D CA -0.694 53.242 54.000 -0.107 0.000 0.881 368 D CB 1.325 42.087 40.800 -0.064 0.000 1.453 368 D HN 0.680 nan 8.370 nan 0.000 0.447 369 E N 0.049 120.227 120.200 -0.038 0.000 2.058 369 E HA -0.389 3.968 4.350 0.012 0.000 0.194 369 E C 1.691 178.333 176.600 0.070 0.000 0.997 369 E CA 1.670 58.085 56.400 0.026 0.000 0.801 369 E CB 0.072 29.804 29.700 0.053 0.000 0.746 369 E HN 0.576 nan 8.360 nan 0.000 0.450 370 Q N -0.053 119.788 119.800 0.069 0.000 2.096 370 Q HA -0.155 4.192 4.340 0.012 0.000 0.204 370 Q C 2.005 178.069 176.000 0.107 0.000 0.982 370 Q CA 2.698 58.554 55.803 0.089 0.000 0.850 370 Q CB -0.290 28.500 28.738 0.086 0.000 0.901 370 Q HN 0.263 nan 8.270 nan 0.000 0.422 371 T N 0.390 115.013 114.554 0.115 0.000 2.777 371 T HA -0.098 4.259 4.350 0.012 0.000 0.266 371 T C 1.707 176.496 174.700 0.149 0.000 1.040 371 T CA 1.485 63.670 62.100 0.143 0.000 1.141 371 T CB -0.167 68.807 68.868 0.177 0.000 0.868 371 T HN 0.314 nan 8.240 nan 0.000 0.444 372 M N 0.547 120.237 119.600 0.151 0.000 2.159 372 M HA -0.096 4.391 4.480 0.012 0.000 0.263 372 M C 2.426 178.860 176.300 0.223 0.000 1.063 372 M CA 1.242 56.706 55.300 0.274 0.000 1.110 372 M CB -0.549 32.233 32.600 0.304 0.000 1.374 372 M HN 0.109 nan 8.290 nan 0.000 0.411 373 V N 0.187 120.175 119.914 0.123 0.000 2.343 373 V HA -0.304 3.823 4.120 0.012 0.000 0.247 373 V C 2.302 178.402 176.094 0.010 0.000 1.051 373 V CA 2.073 64.390 62.300 0.027 0.000 1.036 373 V CB -0.763 31.106 31.823 0.076 0.000 0.654 373 V HN 0.552 nan 8.190 nan 0.000 0.451 374 Q N -0.301 119.551 119.800 0.086 0.000 2.061 374 Q HA -0.269 4.078 4.340 0.012 0.000 0.204 374 Q C 1.982 178.080 176.000 0.162 0.000 0.984 374 Q CA 2.219 58.092 55.803 0.116 0.000 0.846 374 Q CB -0.150 28.669 28.738 0.135 0.000 0.902 374 Q HN 0.623 nan 8.270 nan 0.000 0.421 375 D N 0.348 120.870 120.400 0.204 0.000 2.123 375 D HA -0.157 4.490 4.640 0.012 0.000 0.196 375 D C 1.919 178.210 176.300 -0.015 0.000 0.992 375 D CA 1.138 55.277 54.000 0.231 0.000 0.833 375 D CB -0.193 40.703 40.800 0.161 0.000 0.954 375 D HN 0.376 nan 8.370 nan 0.000 0.455 376 I N 0.611 121.151 120.570 -0.050 0.000 2.226 376 I HA -0.229 3.948 4.170 0.012 0.000 0.245 376 I C 2.404 178.403 176.117 -0.198 0.000 1.100 376 I CA 0.666 61.822 61.300 -0.240 0.000 1.374 376 I CB -0.197 37.524 38.000 -0.464 0.000 1.057 376 I HN 0.007 nan 8.210 nan 0.000 0.413 377 L N 0.227 121.378 121.223 -0.120 0.000 2.017 377 L HA -0.234 4.113 4.340 0.012 0.000 0.208 377 L C 2.574 179.530 176.870 0.143 0.000 1.073 377 L CA 1.363 56.218 54.840 0.026 0.000 0.745 377 L CB -0.602 41.497 42.059 0.067 0.000 0.894 377 L HN 0.267 nan 8.230 nan 0.000 0.432 378 L N -0.972 120.364 121.223 0.188 0.000 2.083 378 L HA -0.236 4.111 4.340 0.012 0.000 0.209 378 L C 2.659 179.739 176.870 0.350 0.000 1.083 378 L CA 1.335 56.381 54.840 0.343 0.000 0.752 378 L CB -0.298 42.094 42.059 0.555 0.000 0.899 378 L HN 0.308 nan 8.230 nan 0.000 0.433 379 M N -0.691 118.928 119.600 0.032 0.000 2.099 379 M HA -0.208 4.279 4.480 0.012 0.000 0.262 379 M C 2.246 178.650 176.300 0.174 0.000 1.067 379 M CA 1.815 57.056 55.300 -0.098 0.000 1.124 379 M CB -0.258 32.012 32.600 -0.551 0.000 1.353 379 M HN 0.043 nan 8.290 nan 0.000 0.410 380 K N 0.025 120.422 120.400 -0.006 0.000 2.097 380 K HA -0.146 4.181 4.320 0.012 0.000 0.205 380 K C 1.929 178.528 176.600 -0.001 0.000 1.050 380 K CA 1.162 57.345 56.287 -0.175 0.000 0.938 380 K CB -0.171 31.996 32.500 -0.555 0.000 0.718 380 K HN 0.415 nan 8.250 nan 0.000 0.442 381 Q N 0.425 120.401 119.800 0.295 0.000 2.364 381 Q HA -0.046 4.301 4.340 0.012 0.000 0.209 381 Q C 0.740 177.059 176.000 0.530 0.000 0.977 381 Q CA 0.712 56.816 55.803 0.500 0.000 0.885 381 Q CB 0.111 29.112 28.738 0.438 0.000 0.941 381 Q HN 0.248 nan 8.270 nan 0.000 0.464 382 N N 0.495 119.441 118.700 0.409 0.000 2.273 382 N HA 0.055 4.802 4.740 0.012 0.000 0.231 382 N C -0.604 174.975 175.510 0.114 0.000 1.134 382 N CA 0.038 53.301 53.050 0.355 0.000 0.856 382 N CB 0.711 39.502 38.487 0.505 0.000 1.068 382 N HN 0.152 nan 8.380 nan 0.000 0.510 383 N N -0.016 118.774 118.700 0.150 0.000 2.800 383 N HA -0.194 4.553 4.740 0.012 0.000 0.250 383 N C -0.789 174.607 175.510 -0.190 0.000 1.078 383 N CA 0.765 53.849 53.050 0.058 0.000 0.804 383 N CB -1.799 36.655 38.487 -0.055 0.000 1.135 383 N HN 0.259 nan 8.380 nan 0.000 0.565 384 F N 1.190 121.157 119.950 0.028 0.000 2.412 384 F HA 0.258 4.792 4.527 0.011 0.000 0.348 384 F C 1.787 177.576 175.800 -0.018 0.000 1.102 384 F CA -0.477 57.520 58.000 -0.006 0.000 1.196 384 F CB 0.771 39.739 39.000 -0.054 0.000 1.144 384 F HN 0.053 nan 8.300 nan 0.000 0.541 385 N N 0.857 119.668 118.700 0.185 0.000 2.159 385 N HA 0.419 5.166 4.740 0.012 0.000 0.217 385 N C -0.699 174.879 175.510 0.113 0.000 1.223 385 N CA 0.019 53.121 53.050 0.086 0.000 0.896 385 N CB 0.716 39.306 38.487 0.172 0.000 1.064 385 N HN 0.453 nan 8.380 nan 0.000 0.518 386 A N -0.570 122.372 122.820 0.205 0.000 2.587 386 A HA 0.778 5.105 4.320 0.012 0.000 0.293 386 A C -1.727 176.059 177.584 0.337 0.000 1.087 386 A CA -0.722 51.488 52.037 0.289 0.000 0.692 386 A CB 1.813 20.996 19.000 0.305 0.000 1.291 386 A HN 0.172 nan 8.150 nan 0.000 0.407 387 V N 0.704 120.874 119.914 0.426 0.000 2.888 387 V HA 0.771 4.898 4.120 0.012 0.000 0.309 387 V C -0.653 175.603 176.094 0.271 0.000 1.114 387 V CA -0.719 61.800 62.300 0.364 0.000 0.940 387 V CB 1.911 33.867 31.823 0.222 0.000 1.021 387 V HN 1.099 nan 8.190 nan 0.000 0.426 388 R N 4.829 125.341 120.500 0.020 0.000 2.338 388 R HA 0.470 4.817 4.340 0.012 0.000 0.317 388 R C -0.752 175.430 176.300 -0.196 0.000 0.968 388 R CA -0.451 55.467 56.100 -0.303 0.000 0.849 388 R CB 1.040 30.959 30.300 -0.637 0.000 1.128 388 R HN 0.797 nan 8.270 nan 0.000 0.448 389 C N 4.551 123.760 119.300 -0.151 0.000 3.183 389 C HA 0.120 4.587 4.460 0.012 0.000 0.545 389 C C 0.520 175.257 174.990 -0.421 0.000 1.044 389 C CA -0.403 58.477 59.018 -0.229 0.000 1.117 389 C CB -1.979 25.730 27.740 -0.050 0.000 1.393 389 C HN 0.740 nan 8.230 nan 0.000 0.611 390 S N 1.419 116.765 115.700 -0.591 0.000 2.465 390 S HA 0.182 4.659 4.470 0.012 0.000 0.280 390 S C -0.125 173.616 174.600 -1.432 0.000 1.232 390 S CA 0.165 57.793 58.200 -0.954 0.000 1.066 390 S CB 0.145 62.679 63.200 -1.109 0.000 0.929 390 S HN 0.715 nan 8.310 nan 0.000 0.494 391 H N 3.762 122.312 119.070 -0.867 0.000 2.511 391 H HA 0.328 4.891 4.556 0.012 0.000 0.228 391 H C -1.094 174.179 175.328 -0.091 0.000 1.424 391 H CA -0.365 55.520 56.048 -0.271 0.000 1.321 391 H CB -0.200 29.590 29.762 0.046 0.000 1.720 391 H HN 0.894 nan 8.280 nan 0.000 0.512 392 Y N -2.918 117.491 120.300 0.181 0.000 2.765 392 Y HA 0.402 4.959 4.550 0.012 0.000 0.350 392 Y C -3.349 172.658 175.900 0.179 0.000 1.196 392 Y CA -3.053 55.159 58.100 0.187 0.000 1.119 392 Y CB 0.003 38.580 38.460 0.195 0.000 1.368 392 Y HN -0.105 nan 8.280 nan 0.000 0.463 393 P HA 0.136 nan 4.420 nan 0.000 0.268 393 P C -0.620 176.972 177.300 0.487 0.000 1.204 393 P CA 0.270 63.618 63.100 0.413 0.000 0.768 393 P CB 0.559 32.432 31.700 0.289 0.000 0.842 394 N N 0.566 119.545 118.700 0.464 0.000 2.478 394 N HA 0.096 4.843 4.740 0.012 0.000 0.275 394 N C 0.089 175.816 175.510 0.361 0.000 1.221 394 N CA -0.612 52.637 53.050 0.332 0.000 0.979 394 N CB 0.422 38.931 38.487 0.036 0.000 1.202 394 N HN 0.594 nan 8.380 nan 0.000 0.564 395 H N 2.037 121.210 119.070 0.171 0.000 3.115 395 H HA -0.029 4.534 4.556 0.012 0.000 0.324 395 H C -1.569 173.926 175.328 0.278 0.000 1.007 395 H CA -0.436 55.702 56.048 0.150 0.000 1.385 395 H CB 0.996 30.816 29.762 0.095 0.000 1.351 395 H HN 0.427 nan 8.280 nan 0.000 0.592 396 P HA -0.212 nan 4.420 nan 0.000 0.216 396 P C 1.871 179.457 177.300 0.477 0.000 1.150 396 P CA 0.690 63.970 63.100 0.300 0.000 0.843 396 P CB 0.178 31.932 31.700 0.090 0.000 0.787 397 L N -0.846 120.735 121.223 0.597 0.000 2.127 397 L HA -0.096 4.251 4.340 0.012 0.000 0.211 397 L C 2.396 179.473 176.870 0.345 0.000 1.089 397 L CA 1.495 56.602 54.840 0.445 0.000 0.757 397 L CB -1.522 40.760 42.059 0.372 0.000 0.899 397 L HN 0.051 nan 8.230 nan 0.000 0.434 398 W N -0.440 120.933 121.300 0.121 0.000 2.304 398 W HA -0.364 4.303 4.660 0.011 0.000 0.315 398 W C 2.148 178.518 176.519 -0.248 0.000 1.233 398 W CA 2.096 59.356 57.345 -0.142 0.000 1.261 398 W CB -0.397 28.872 29.460 -0.318 0.000 1.150 398 W HN 0.288 nan 8.180 nan 0.000 0.494 399 Y N 0.641 120.894 120.300 -0.079 0.000 2.242 399 Y HA -0.200 4.357 4.550 0.011 0.000 0.291 399 Y C 2.824 178.519 175.900 -0.343 0.000 1.137 399 Y CA 2.031 59.858 58.100 -0.455 0.000 1.181 399 Y CB -1.320 36.483 38.460 -1.095 0.000 0.989 399 Y HN -0.212 nan 8.280 nan 0.000 0.527 400 T N 0.864 115.458 114.554 0.067 0.000 2.684 400 T HA -0.188 4.169 4.350 0.012 0.000 0.267 400 T C 2.003 176.759 174.700 0.092 0.000 1.036 400 T CA 1.668 63.875 62.100 0.178 0.000 1.148 400 T CB -0.628 68.388 68.868 0.246 0.000 0.863 400 T HN 0.239 nan 8.240 nan 0.000 0.436 401 L N 0.403 121.643 121.223 0.028 0.000 2.046 401 L HA -0.102 4.245 4.340 0.012 0.000 0.208 401 L C 2.945 179.833 176.870 0.030 0.000 1.077 401 L CA 0.942 55.837 54.840 0.092 0.000 0.747 401 L CB -0.861 41.202 42.059 0.006 0.000 0.896 401 L HN 0.367 nan 8.230 nan 0.000 0.432 402 C N -0.147 118.981 119.300 -0.287 0.000 2.422 402 C HA -0.158 4.309 4.460 0.012 0.000 0.279 402 C C 2.427 177.460 174.990 0.071 0.000 1.305 402 C CA 0.574 59.447 59.018 -0.241 0.000 1.757 402 C CB -0.840 26.645 27.740 -0.425 0.000 1.962 402 C HN 0.540 nan 8.230 nan 0.000 0.499 403 D N 0.318 120.768 120.400 0.084 0.000 2.117 403 D HA -0.069 4.578 4.640 0.012 0.000 0.198 403 D C 2.424 178.922 176.300 0.329 0.000 0.982 403 D CA 1.123 55.242 54.000 0.198 0.000 0.828 403 D CB -0.286 40.601 40.800 0.145 0.000 0.967 403 D HN 0.522 nan 8.370 nan 0.000 0.464 404 R N -0.967 119.634 120.500 0.168 0.000 2.100 404 R HA 0.026 4.373 4.340 0.012 0.000 0.220 404 R C 2.084 178.367 176.300 -0.029 0.000 1.091 404 R CA 0.574 56.707 56.100 0.055 0.000 0.986 404 R CB -0.210 30.041 30.300 -0.081 0.000 0.888 404 R HN 0.265 nan 8.270 nan 0.000 0.444 405 Y N 0.086 120.405 120.300 0.033 0.000 2.475 405 Y HA 0.171 4.728 4.550 0.011 0.000 0.289 405 Y C 0.928 176.772 175.900 -0.093 0.000 1.121 405 Y CA 0.751 58.845 58.100 -0.010 0.000 1.257 405 Y CB 0.703 39.125 38.460 -0.063 0.000 1.026 405 Y HN 0.243 nan 8.280 nan 0.000 0.555 406 G N 1.163 110.027 108.800 0.107 0.000 2.860 406 G HA2 -0.124 3.843 3.960 0.012 0.000 0.547 406 G HA3 -0.124 3.843 3.960 0.012 0.000 0.547 406 G C -1.240 173.534 174.900 -0.211 0.000 1.103 406 G CA -0.615 44.428 45.100 -0.096 0.000 1.126 406 G HN 0.156 nan 8.290 nan 0.000 0.490 407 L N 1.233 122.413 121.223 -0.071 0.000 2.482 407 L HA 0.433 4.780 4.340 0.012 0.000 0.263 407 L C -0.078 176.827 176.870 0.058 0.000 0.957 407 L CA -1.213 53.534 54.840 -0.155 0.000 0.836 407 L CB 2.018 43.998 42.059 -0.132 0.000 1.324 407 L HN 0.496 nan 8.230 nan 0.000 0.406 408 Y N 2.120 122.561 120.300 0.234 0.000 2.465 408 Y HA 0.318 4.876 4.550 0.013 0.000 0.331 408 Y C 0.291 176.319 175.900 0.214 0.000 1.102 408 Y CA -0.615 57.649 58.100 0.274 0.000 1.358 408 Y CB 1.171 39.764 38.460 0.222 0.000 1.213 408 Y HN 0.191 nan 8.280 nan 0.000 0.525 409 V N 4.517 124.611 119.914 0.301 0.000 2.715 409 V HA 0.384 4.511 4.120 0.012 0.000 0.310 409 V C -0.579 175.598 176.094 0.138 0.000 1.054 409 V CA -0.981 61.442 62.300 0.204 0.000 0.928 409 V CB 2.160 34.067 31.823 0.139 0.000 1.007 409 V HN 0.415 nan 8.190 nan 0.000 0.437 410 V N 2.617 122.579 119.914 0.080 0.000 2.334 410 V HA 0.351 4.478 4.120 0.012 0.000 0.281 410 V C -0.509 175.619 176.094 0.057 0.000 1.016 410 V CA -0.516 61.782 62.300 -0.003 0.000 0.832 410 V CB 1.534 33.255 31.823 -0.170 0.000 0.999 410 V HN 0.847 nan 8.190 nan 0.000 0.439 411 D N 4.138 124.609 120.400 0.119 0.000 2.316 411 D HA 0.246 4.893 4.640 0.012 0.000 0.245 411 D C -0.132 176.358 176.300 0.318 0.000 1.171 411 D CA 0.097 54.264 54.000 0.280 0.000 0.856 411 D CB 1.168 42.181 40.800 0.355 0.000 1.090 411 D HN 0.664 nan 8.370 nan 0.000 0.476 412 E N 1.811 122.160 120.200 0.248 0.000 2.158 412 E HA 0.582 4.939 4.350 0.012 0.000 0.271 412 E C -0.843 175.895 176.600 0.229 0.000 0.911 412 E CA -1.003 55.528 56.400 0.218 0.000 0.767 412 E CB 1.245 31.029 29.700 0.140 0.000 1.120 412 E HN 0.467 nan 8.360 nan 0.000 0.405 413 A N 3.973 126.922 122.820 0.214 0.000 2.483 413 A HA 0.022 4.349 4.320 0.012 0.000 0.238 413 A C 0.388 178.099 177.584 0.213 0.000 1.070 413 A CA -0.207 51.937 52.037 0.178 0.000 0.770 413 A CB 0.151 19.224 19.000 0.122 0.000 1.008 413 A HN 0.719 nan 8.150 nan 0.000 0.497 414 N N 1.104 119.936 118.700 0.219 0.000 3.178 414 N HA 0.238 4.985 4.740 0.012 0.000 0.300 414 N C -1.004 174.639 175.510 0.222 0.000 1.242 414 N CA 0.199 53.413 53.050 0.274 0.000 1.192 414 N CB -0.845 37.797 38.487 0.259 0.000 1.463 414 N HN 0.467 nan 8.380 nan 0.000 0.539 415 I N 0.850 121.548 120.570 0.213 0.000 2.517 415 I HA 0.239 4.416 4.170 0.012 0.000 0.280 415 I C -0.523 175.704 176.117 0.183 0.000 1.061 415 I CA -0.555 60.854 61.300 0.181 0.000 1.091 415 I CB 1.435 39.518 38.000 0.138 0.000 1.205 415 I HN 0.221 nan 8.210 nan 0.000 0.459 416 E N 4.167 124.474 120.200 0.178 0.000 2.241 416 E HA 0.413 4.770 4.350 0.012 0.000 0.263 416 E C -0.237 176.440 176.600 0.128 0.000 0.882 416 E CA -0.433 56.045 56.400 0.130 0.000 0.769 416 E CB 1.644 31.408 29.700 0.106 0.000 1.185 416 E HN 0.567 nan 8.360 nan 0.000 0.415 417 T N 0.600 115.216 114.554 0.104 0.000 3.380 417 T HA 0.138 4.495 4.350 0.012 0.000 0.289 417 T C 0.947 175.702 174.700 0.093 0.000 1.012 417 T CA -0.276 61.907 62.100 0.137 0.000 0.944 417 T CB -0.300 68.638 68.868 0.116 0.000 1.172 417 T HN 0.673 nan 8.240 nan 0.000 0.502 418 H N 1.215 120.219 119.070 -0.111 0.000 2.325 418 H HA -0.139 4.424 4.556 0.012 0.000 0.293 418 H C 2.385 177.596 175.328 -0.196 0.000 1.106 418 H CA 1.638 57.584 56.048 -0.171 0.000 1.247 418 H CB -0.300 29.320 29.762 -0.236 0.000 1.359 418 H HN 0.577 nan 8.280 nan 0.000 0.488 419 G N 0.597 109.267 108.800 -0.216 0.000 2.470 419 G HA2 -0.156 3.811 3.960 0.012 0.000 0.220 419 G HA3 -0.156 3.811 3.960 0.012 0.000 0.220 419 G C 0.677 175.655 174.900 0.130 0.000 1.121 419 G CA 0.229 45.191 45.100 -0.230 0.000 0.766 419 G HN 0.170 nan 8.290 nan 0.000 0.553 420 M N 0.057 119.800 119.600 0.239 0.000 2.219 420 M HA 0.288 4.775 4.480 0.012 0.000 0.307 420 M C -0.321 176.014 176.300 0.059 0.000 1.116 420 M CA 0.046 55.441 55.300 0.158 0.000 1.181 420 M CB 1.111 33.761 32.600 0.085 0.000 1.410 420 M HN -0.168 nan 8.290 nan 0.000 0.454 421 V N 3.393 123.323 119.914 0.026 0.000 2.532 421 V HA 0.327 4.454 4.120 0.012 0.000 0.294 421 V C -2.010 174.077 176.094 -0.011 0.000 1.036 421 V CA -1.290 61.010 62.300 0.001 0.000 0.876 421 V CB 1.951 33.771 31.823 -0.004 0.000 1.012 421 V HN 0.735 nan 8.190 nan 0.000 0.432 422 P HA 0.191 nan 4.420 nan 0.000 0.274 422 P C 0.988 178.288 177.300 0.001 0.000 1.260 422 P CA -0.469 62.625 63.100 -0.010 0.000 0.793 422 P CB 0.944 32.638 31.700 -0.009 0.000 1.048 423 M N 0.794 120.398 119.600 0.008 0.000 2.358 423 M HA -0.169 4.318 4.480 0.012 0.000 0.264 423 M C 1.181 177.502 176.300 0.035 0.000 1.064 423 M CA 1.817 57.131 55.300 0.024 0.000 1.093 423 M CB -0.477 32.127 32.600 0.007 0.000 1.401 423 M HN 0.318 nan 8.290 nan 0.000 0.440 424 N N 0.087 118.807 118.700 0.032 0.000 2.314 424 N HA -0.080 4.667 4.740 0.012 0.000 0.200 424 N C 1.253 176.752 175.510 -0.017 0.000 1.135 424 N CA 0.210 53.285 53.050 0.042 0.000 0.835 424 N CB -0.691 37.840 38.487 0.073 0.000 0.989 424 N HN 0.423 nan 8.380 nan 0.000 0.478 425 R N 0.400 120.875 120.500 -0.043 0.000 2.091 425 R HA -0.004 4.343 4.340 0.012 0.000 0.238 425 R C 1.566 177.782 176.300 -0.140 0.000 1.136 425 R CA 1.331 57.383 56.100 -0.080 0.000 0.959 425 R CB -0.049 30.198 30.300 -0.087 0.000 0.856 425 R HN 0.273 nan 8.270 nan 0.000 0.437 426 L N -0.552 120.527 121.223 -0.239 0.000 2.102 426 L HA -0.048 4.299 4.340 0.012 0.000 0.202 426 L C 2.532 179.289 176.870 -0.189 0.000 1.076 426 L CA 1.494 56.080 54.840 -0.424 0.000 0.761 426 L CB -0.722 40.830 42.059 -0.845 0.000 0.921 426 L HN 0.348 nan 8.230 nan 0.000 0.444 427 T N -4.163 110.311 114.554 -0.132 0.000 3.051 427 T HA -0.176 4.181 4.350 0.012 0.000 0.269 427 T C 1.239 175.867 174.700 -0.120 0.000 1.127 427 T CA 1.275 63.285 62.100 -0.151 0.000 1.107 427 T CB -0.268 68.481 68.868 -0.198 0.000 0.898 427 T HN 0.133 nan 8.240 nan 0.000 0.517 428 D N 0.996 121.359 120.400 -0.061 0.000 2.369 428 D HA 0.107 4.754 4.640 0.012 0.000 0.211 428 D C -0.273 176.015 176.300 -0.020 0.000 1.077 428 D CA -0.224 53.748 54.000 -0.048 0.000 0.842 428 D CB -0.025 40.751 40.800 -0.040 0.000 0.947 428 D HN 0.326 nan 8.370 nan 0.000 0.509 429 D N -0.066 120.341 120.400 0.010 0.000 2.280 429 D HA 0.126 4.773 4.640 0.012 0.000 0.236 429 D C -1.652 174.701 176.300 0.088 0.000 1.082 429 D CA -2.156 51.882 54.000 0.064 0.000 0.834 429 D CB 2.176 43.059 40.800 0.138 0.000 1.100 429 D HN -0.039 nan 8.370 nan 0.000 0.486 430 P HA -0.132 nan 4.420 nan 0.000 0.222 430 P C 0.924 178.222 177.300 -0.004 0.000 1.147 430 P CA 0.708 63.815 63.100 0.012 0.000 0.790 430 P CB 0.296 31.992 31.700 -0.006 0.000 0.780 431 R N -1.410 119.092 120.500 0.003 0.000 2.189 431 R HA -0.067 4.280 4.340 0.012 0.000 0.223 431 R C 1.556 177.697 176.300 -0.264 0.000 1.092 431 R CA 0.969 56.991 56.100 -0.131 0.000 0.989 431 R CB -1.033 29.160 30.300 -0.178 0.000 0.876 431 R HN 0.351 nan 8.270 nan 0.000 0.457 432 W N 0.562 121.807 121.300 -0.092 0.000 3.278 432 W HA 0.149 4.815 4.660 0.011 0.000 0.308 432 W C 1.619 178.080 176.519 -0.097 0.000 1.253 432 W CA -0.562 56.727 57.345 -0.093 0.000 1.759 432 W CB -0.053 29.352 29.460 -0.092 0.000 1.093 432 W HN -0.013 nan 8.180 nan 0.000 0.648 433 L N 2.215 123.461 121.223 0.039 0.000 2.046 433 L HA -0.054 4.293 4.340 0.012 0.000 0.208 433 L C -0.633 176.199 176.870 -0.062 0.000 1.077 433 L CA 2.203 57.030 54.840 -0.022 0.000 0.747 433 L CB -1.694 40.340 42.059 -0.041 0.000 0.896 433 L HN -0.226 nan 8.230 nan 0.000 0.432 434 P HA -0.145 nan 4.420 nan 0.000 0.215 434 P C 1.597 178.837 177.300 -0.100 0.000 1.157 434 P CA 2.126 65.159 63.100 -0.112 0.000 0.868 434 P CB -0.224 31.398 31.700 -0.130 0.000 0.788 435 A N -0.988 121.784 122.820 -0.080 0.000 1.902 435 A HA -0.188 4.139 4.320 0.012 0.000 0.217 435 A C 2.244 179.836 177.584 0.014 0.000 1.181 435 A CA 1.981 54.006 52.037 -0.021 0.000 0.623 435 A CB -1.468 17.539 19.000 0.011 0.000 0.818 435 A HN 0.100 nan 8.150 nan 0.000 0.443 436 M N 0.309 119.925 119.600 0.028 0.000 2.099 436 M HA -0.152 4.335 4.480 0.012 0.000 0.262 436 M C 2.573 178.820 176.300 -0.088 0.000 1.067 436 M CA 1.810 57.105 55.300 -0.009 0.000 1.124 436 M CB -0.417 32.159 32.600 -0.040 0.000 1.353 436 M HN 0.656 nan 8.290 nan 0.000 0.410 437 S N 0.270 115.888 115.700 -0.136 0.000 2.370 437 S HA -0.192 4.285 4.470 0.012 0.000 0.226 437 S C 1.716 176.144 174.600 -0.288 0.000 1.033 437 S CA 1.413 59.466 58.200 -0.245 0.000 1.011 437 S CB -0.700 62.329 63.200 -0.284 0.000 0.852 437 S HN 0.479 nan 8.310 nan 0.000 0.457 438 E N 1.142 121.218 120.200 -0.207 0.000 2.160 438 E HA -0.136 4.221 4.350 0.012 0.000 0.195 438 E C 2.406 178.915 176.600 -0.153 0.000 0.991 438 E CA 1.041 57.328 56.400 -0.189 0.000 0.810 438 E CB -0.160 29.467 29.700 -0.123 0.000 0.742 438 E HN 0.592 nan 8.360 nan 0.000 0.466 439 R N -0.031 120.411 120.500 -0.096 0.000 2.115 439 R HA -0.065 4.282 4.340 0.012 0.000 0.226 439 R C 2.372 178.625 176.300 -0.078 0.000 1.100 439 R CA 0.672 56.745 56.100 -0.045 0.000 0.980 439 R CB -0.009 30.305 30.300 0.024 0.000 0.875 439 R HN -0.000 nan 8.270 nan 0.000 0.445 440 V N 0.329 120.155 119.914 -0.146 0.000 2.379 440 V HA -0.196 3.931 4.120 0.012 0.000 0.243 440 V C 2.484 178.383 176.094 -0.324 0.000 1.035 440 V CA 2.183 64.374 62.300 -0.181 0.000 1.035 440 V CB -0.308 31.405 31.823 -0.183 0.000 0.673 440 V HN 0.551 nan 8.190 nan 0.000 0.457 441 T N -0.819 113.415 114.554 -0.534 0.000 2.746 441 T HA -0.241 4.116 4.350 0.012 0.000 0.267 441 T C 1.931 176.427 174.700 -0.339 0.000 1.039 441 T CA 1.364 63.018 62.100 -0.742 0.000 1.142 441 T CB -0.426 67.816 68.868 -1.044 0.000 0.866 441 T HN 0.405 nan 8.240 nan 0.000 0.444 442 R N 0.321 120.668 120.500 -0.256 0.000 2.189 442 R HA 0.220 4.567 4.340 0.012 0.000 0.223 442 R C 2.584 178.798 176.300 -0.143 0.000 1.092 442 R CA 1.261 57.256 56.100 -0.174 0.000 0.989 442 R CB -0.430 29.779 30.300 -0.151 0.000 0.876 442 R HN 0.530 nan 8.270 nan 0.000 0.457 443 M N 0.354 119.875 119.600 -0.130 0.000 2.193 443 M HA -0.091 4.396 4.480 0.012 0.000 0.265 443 M C 1.691 177.916 176.300 -0.125 0.000 1.071 443 M CA 1.511 56.770 55.300 -0.069 0.000 1.140 443 M CB 0.222 32.827 32.600 0.008 0.000 1.369 443 M HN -0.048 nan 8.290 nan 0.000 0.423 444 V N 1.221 120.956 119.914 -0.298 0.000 2.343 444 V HA -0.275 3.852 4.120 0.012 0.000 0.247 444 V C 2.245 178.232 176.094 -0.178 0.000 1.051 444 V CA 1.992 63.988 62.300 -0.505 0.000 1.036 444 V CB -1.069 30.364 31.823 -0.650 0.000 0.654 444 V HN 0.588 nan 8.190 nan 0.000 0.451 445 Q N -0.524 119.210 119.800 -0.111 0.000 2.226 445 Q HA -0.216 4.131 4.340 0.012 0.000 0.204 445 Q C 2.463 178.389 176.000 -0.124 0.000 0.975 445 Q CA 1.577 57.330 55.803 -0.083 0.000 0.866 445 Q CB -0.179 28.521 28.738 -0.063 0.000 0.915 445 Q HN 0.551 nan 8.270 nan 0.000 0.440 446 R N 0.156 120.572 120.500 -0.140 0.000 2.140 446 R HA -0.066 4.281 4.340 0.012 0.000 0.213 446 R C 0.367 176.600 176.300 -0.113 0.000 1.059 446 R CA 1.096 57.089 56.100 -0.178 0.000 1.000 446 R CB 0.525 30.716 30.300 -0.181 0.000 0.910 446 R HN 0.152 nan 8.270 nan 0.000 0.455 447 D N 0.062 120.457 120.400 -0.009 0.000 2.398 447 D HA -0.006 4.641 4.640 0.012 0.000 0.210 447 D C 1.345 177.768 176.300 0.206 0.000 1.094 447 D CA 0.046 54.094 54.000 0.081 0.000 0.839 447 D CB 0.244 41.025 40.800 -0.032 0.000 0.963 447 D HN 0.349 nan 8.370 nan 0.000 0.506 448 R N 0.935 121.564 120.500 0.214 0.000 2.211 448 R HA -0.066 4.281 4.340 0.012 0.000 0.240 448 R C 0.790 177.113 176.300 0.039 0.000 1.144 448 R CA 1.085 57.323 56.100 0.230 0.000 0.992 448 R CB -0.327 30.036 30.300 0.106 0.000 0.869 448 R HN -0.054 nan 8.270 nan 0.000 0.462 449 N N 0.092 118.740 118.700 -0.087 0.000 2.353 449 N HA -0.003 4.744 4.740 0.012 0.000 0.185 449 N C -0.432 174.973 175.510 -0.176 0.000 1.098 449 N CA 0.265 53.230 53.050 -0.142 0.000 0.872 449 N CB 0.081 38.450 38.487 -0.197 0.000 0.970 449 N HN 0.301 nan 8.380 nan 0.000 0.467 450 H N 1.640 120.654 119.070 -0.093 0.000 2.819 450 H HA 0.088 4.650 4.556 0.011 0.000 0.303 450 H C -1.159 174.027 175.328 -0.238 0.000 1.058 450 H CA -1.149 54.826 56.048 -0.122 0.000 1.471 450 H CB 1.431 31.152 29.762 -0.068 0.000 1.480 450 H HN 0.055 nan 8.280 nan 0.000 0.517 451 P HA -0.179 nan 4.420 nan 0.000 0.216 451 P C 1.487 178.328 177.300 -0.765 0.000 1.150 451 P CA 1.355 64.106 63.100 -0.581 0.000 0.837 451 P CB 0.231 31.331 31.700 -1.001 0.000 0.786 452 S N -0.784 114.539 115.700 -0.628 0.000 2.419 452 S HA -0.064 4.413 4.470 0.012 0.000 0.235 452 S C 1.118 175.682 174.600 -0.060 0.000 1.019 452 S CA 0.517 58.540 58.200 -0.296 0.000 0.982 452 S CB -1.530 61.647 63.200 -0.038 0.000 0.789 452 S HN -0.045 nan 8.310 nan 0.000 0.490 453 V N 3.717 123.566 119.914 -0.108 0.000 2.405 453 V HA 0.246 4.373 4.120 0.012 0.000 0.264 453 V C 1.165 177.117 176.094 -0.236 0.000 1.048 453 V CA -0.103 62.102 62.300 -0.159 0.000 0.966 453 V CB 0.405 32.045 31.823 -0.305 0.000 1.015 453 V HN 0.619 nan 8.190 nan 0.000 0.477 454 I N 2.661 123.150 120.570 -0.134 0.000 3.939 454 I HA 0.485 4.662 4.170 0.012 0.000 0.313 454 I C 0.404 176.409 176.117 -0.187 0.000 1.274 454 I CA 0.616 61.850 61.300 -0.109 0.000 1.301 454 I CB 0.468 38.479 38.000 0.019 0.000 1.105 454 I HN 0.322 nan 8.210 nan 0.000 0.427 455 I N 0.034 120.461 120.570 -0.238 0.000 2.656 455 I HA 0.348 4.525 4.170 0.012 0.000 0.292 455 I C -1.497 174.491 176.117 -0.214 0.000 1.144 455 I CA -0.401 60.785 61.300 -0.189 0.000 1.038 455 I CB 2.062 40.051 38.000 -0.018 0.000 1.244 455 I HN 0.023 nan 8.210 nan 0.000 0.420 456 W N 3.828 125.172 121.300 0.072 0.000 2.381 456 W HA 0.633 5.299 4.660 0.010 0.000 0.329 456 W C 0.457 177.036 176.519 0.099 0.000 1.157 456 W CA -0.547 56.848 57.345 0.083 0.000 1.240 456 W CB 1.594 31.099 29.460 0.076 0.000 1.199 456 W HN 0.351 nan 8.180 nan 0.000 0.579 457 S N 2.492 118.433 115.700 0.401 0.000 2.526 457 S HA 0.395 4.872 4.470 0.012 0.000 0.293 457 S C 0.078 174.846 174.600 0.279 0.000 1.092 457 S CA -0.738 57.636 58.200 0.291 0.000 0.980 457 S CB 0.949 64.267 63.200 0.197 0.000 1.048 457 S HN 0.578 nan 8.310 nan 0.000 0.483 458 L N 3.784 125.170 121.223 0.273 0.000 2.610 458 L HA 0.350 4.697 4.340 0.012 0.000 0.232 458 L C 1.414 178.370 176.870 0.143 0.000 1.149 458 L CA 0.602 55.528 54.840 0.143 0.000 0.872 458 L CB -1.112 40.920 42.059 -0.046 0.000 0.992 458 L HN 1.023 nan 8.230 nan 0.000 0.447 459 G N 0.001 108.963 108.800 0.271 0.000 2.298 459 G HA2 -0.122 3.845 3.960 0.012 0.000 0.309 459 G HA3 -0.122 3.845 3.960 0.012 0.000 0.309 459 G C -1.647 173.441 174.900 0.314 0.000 1.279 459 G CA -0.517 44.740 45.100 0.262 0.000 1.042 459 G HN 0.184 nan 8.290 nan 0.000 0.480 460 N N -0.148 118.668 118.700 0.194 0.000 2.405 460 N HA 0.480 5.227 4.740 0.012 0.000 0.274 460 N C -0.377 175.067 175.510 -0.110 0.000 1.170 460 N CA 0.125 53.135 53.050 -0.068 0.000 0.848 460 N CB 1.608 39.782 38.487 -0.522 0.000 1.629 460 N HN 0.922 nan 8.380 nan 0.000 0.481 461 E N 0.486 120.522 120.200 -0.274 0.000 2.160 461 E HA -0.176 4.181 4.350 0.012 0.000 0.180 461 E C -0.840 175.673 176.600 -0.146 0.000 1.452 461 E CA 0.813 56.992 56.400 -0.367 0.000 0.683 461 E CB -1.308 27.930 29.700 -0.770 0.000 1.072 461 E HN 0.441 nan 8.360 nan 0.000 0.332 462 S N 0.047 115.789 115.700 0.070 0.000 2.941 462 S HA 0.409 4.886 4.470 0.012 0.000 0.251 462 S C 0.607 175.352 174.600 0.243 0.000 1.029 462 S CA -0.193 58.114 58.200 0.180 0.000 1.062 462 S CB 1.391 64.757 63.200 0.276 0.000 0.977 462 S HN 0.837 nan 8.310 nan 0.000 0.552 463 G N 2.005 110.883 108.800 0.131 0.000 2.641 463 G HA2 -0.268 3.699 3.960 0.012 0.000 0.254 463 G HA3 -0.268 3.699 3.960 0.012 0.000 0.254 463 G C -0.517 174.564 174.900 0.303 0.000 1.315 463 G CA -0.171 45.016 45.100 0.145 0.000 0.907 463 G HN 0.658 nan 8.290 nan 0.000 0.572 464 H N 0.485 119.657 119.070 0.170 0.000 2.800 464 H HA 0.577 5.140 4.556 0.011 0.000 0.322 464 H C 0.356 175.838 175.328 0.256 0.000 0.979 464 H CA -0.108 56.073 56.048 0.221 0.000 1.277 464 H CB 0.522 30.362 29.762 0.130 0.000 1.484 464 H HN 1.016 nan 8.280 nan 0.000 0.512 465 G N 1.634 110.621 108.800 0.311 0.000 2.537 465 G HA2 0.442 4.409 3.960 0.012 0.000 0.308 465 G HA3 0.442 4.409 3.960 0.012 0.000 0.308 465 G C 0.625 175.477 174.900 -0.080 0.000 1.237 465 G CA -0.171 44.918 45.100 -0.018 0.000 0.968 465 G HN 0.683 nan 8.290 nan 0.000 0.481 466 A N 0.581 123.337 122.820 -0.106 0.000 1.986 466 A HA -0.130 4.197 4.320 0.012 0.000 0.220 466 A C 2.107 179.676 177.584 -0.026 0.000 1.171 466 A CA 1.958 53.962 52.037 -0.054 0.000 0.640 466 A CB -0.415 18.561 19.000 -0.040 0.000 0.811 466 A HN 0.546 nan 8.150 nan 0.000 0.451 467 N N -0.412 118.233 118.700 -0.092 0.000 2.289 467 N HA -0.130 4.617 4.740 0.012 0.000 0.184 467 N C 1.311 176.751 175.510 -0.118 0.000 1.016 467 N CA 1.570 54.550 53.050 -0.117 0.000 0.872 467 N CB -0.658 37.725 38.487 -0.172 0.000 0.973 467 N HN 0.790 nan 8.380 nan 0.000 0.433 468 H N 0.370 119.439 119.070 -0.001 0.000 2.389 468 H HA 0.001 4.564 4.556 0.011 0.000 0.299 468 H C 1.207 176.599 175.328 0.106 0.000 1.081 468 H CA 1.163 57.208 56.048 -0.007 0.000 1.345 468 H CB 0.223 29.983 29.762 -0.003 0.000 1.393 468 H HN 0.189 nan 8.280 nan 0.000 0.520 469 D N 0.420 120.976 120.400 0.259 0.000 2.117 469 D HA -0.107 4.540 4.640 0.012 0.000 0.198 469 D C 2.308 178.755 176.300 0.246 0.000 0.982 469 D CA 1.104 55.251 54.000 0.244 0.000 0.828 469 D CB -0.366 40.549 40.800 0.192 0.000 0.967 469 D HN 0.413 nan 8.370 nan 0.000 0.464 470 A N 1.095 124.012 122.820 0.161 0.000 1.877 470 A HA -0.135 4.192 4.320 0.012 0.000 0.216 470 A C 2.425 180.114 177.584 0.175 0.000 1.186 470 A CA 1.025 53.145 52.037 0.138 0.000 0.620 470 A CB -0.825 18.216 19.000 0.069 0.000 0.822 470 A HN 0.185 nan 8.150 nan 0.000 0.443 471 L N -2.185 119.126 121.223 0.147 0.000 2.109 471 L HA -0.153 4.194 4.340 0.012 0.000 0.207 471 L C 2.594 179.610 176.870 0.243 0.000 1.086 471 L CA 1.608 56.542 54.840 0.157 0.000 0.760 471 L CB -0.735 41.348 42.059 0.040 0.000 0.910 471 L HN 0.606 nan 8.230 nan 0.000 0.437 472 Y N 1.347 121.724 120.300 0.129 0.000 2.114 472 Y HA -0.354 4.202 4.550 0.009 0.000 0.282 472 Y C 2.817 178.789 175.900 0.119 0.000 1.165 472 Y CA 1.876 60.053 58.100 0.127 0.000 1.148 472 Y CB -0.202 38.332 38.460 0.123 0.000 0.972 472 Y HN -0.037 nan 8.280 nan 0.000 0.504 473 R N -0.200 120.409 120.500 0.182 0.000 2.096 473 R HA -0.212 4.135 4.340 0.012 0.000 0.235 473 R C 2.031 178.326 176.300 -0.008 0.000 1.127 473 R CA 1.929 58.056 56.100 0.046 0.000 0.968 473 R CB -1.381 29.024 30.300 0.175 0.000 0.861 473 R HN 0.672 nan 8.270 nan 0.000 0.440 474 W N 0.359 121.615 121.300 -0.073 0.000 2.358 474 W HA -0.107 4.561 4.660 0.013 0.000 0.303 474 W C 1.529 177.954 176.519 -0.157 0.000 1.208 474 W CA 1.709 58.996 57.345 -0.098 0.000 1.274 474 W CB -0.142 29.264 29.460 -0.090 0.000 1.138 474 W HN 0.055 nan 8.180 nan 0.000 0.515 475 I N 0.849 121.364 120.570 -0.092 0.000 2.179 475 I HA -0.326 3.851 4.170 0.012 0.000 0.242 475 I C 2.360 178.261 176.117 -0.361 0.000 1.088 475 I CA 1.335 62.448 61.300 -0.312 0.000 1.357 475 I CB -0.829 37.078 38.000 -0.155 0.000 1.051 475 I HN -0.124 nan 8.210 nan 0.000 0.409 476 K N 0.561 120.758 120.400 -0.338 0.000 2.211 476 K HA -0.162 4.165 4.320 0.012 0.000 0.204 476 K C 2.241 178.693 176.600 -0.246 0.000 1.047 476 K CA 1.559 57.671 56.287 -0.291 0.000 0.935 476 K CB -0.431 31.849 32.500 -0.366 0.000 0.728 476 K HN 0.334 nan 8.250 nan 0.000 0.452 477 S N 0.396 115.908 115.700 -0.313 0.000 2.388 477 S HA -0.042 4.435 4.470 0.012 0.000 0.223 477 S C 2.048 176.419 174.600 -0.382 0.000 1.034 477 S CA 0.600 58.620 58.200 -0.300 0.000 0.963 477 S CB 0.017 63.059 63.200 -0.263 0.000 0.827 477 S HN 0.018 nan 8.310 nan 0.000 0.481 478 V N 1.333 120.874 119.914 -0.622 0.000 2.591 478 V HA 0.107 4.234 4.120 0.012 0.000 0.249 478 V C 0.532 176.371 176.094 -0.425 0.000 1.053 478 V CA 1.556 63.453 62.300 -0.671 0.000 1.068 478 V CB -0.367 30.704 31.823 -1.253 0.000 0.689 478 V HN 0.621 nan 8.190 nan 0.000 0.462 479 D N -0.896 119.313 120.400 -0.317 0.000 2.330 479 D HA 0.250 4.897 4.640 0.012 0.000 0.249 479 D C -2.280 173.991 176.300 -0.048 0.000 1.306 479 D CA -1.692 52.228 54.000 -0.132 0.000 0.956 479 D CB 1.785 42.581 40.800 -0.006 0.000 1.261 479 D HN 0.046 nan 8.370 nan 0.000 0.544 480 P HA -0.013 nan 4.420 nan 0.000 0.242 480 P C 1.108 178.418 177.300 0.017 0.000 1.197 480 P CA 0.408 63.492 63.100 -0.027 0.000 0.765 480 P CB 0.124 31.807 31.700 -0.028 0.000 0.936 481 S N -1.179 114.541 115.700 0.035 0.000 2.561 481 S HA 0.047 4.524 4.470 0.012 0.000 0.225 481 S C 0.830 175.452 174.600 0.037 0.000 0.977 481 S CA -0.059 58.167 58.200 0.044 0.000 0.926 481 S CB -0.387 62.835 63.200 0.037 0.000 0.769 481 S HN 0.086 nan 8.310 nan 0.000 0.533 482 R N 0.877 121.409 120.500 0.052 0.000 2.673 482 R HA 0.575 4.923 4.340 0.012 0.000 0.281 482 R C -3.234 173.102 176.300 0.060 0.000 0.991 482 R CA -2.218 53.880 56.100 -0.003 0.000 0.896 482 R CB 1.293 31.478 30.300 -0.191 0.000 1.201 482 R HN 0.115 nan 8.270 nan 0.000 0.457 483 P HA 0.088 nan 4.420 nan 0.000 0.272 483 P C -0.850 176.543 177.300 0.154 0.000 1.240 483 P CA -0.406 62.748 63.100 0.090 0.000 0.791 483 P CB 0.644 32.385 31.700 0.069 0.000 0.978 484 V N 2.146 122.183 119.914 0.206 0.000 2.448 484 V HA 0.381 4.508 4.120 0.012 0.000 0.295 484 V C 0.245 176.517 176.094 0.298 0.000 1.025 484 V CA -0.281 62.194 62.300 0.290 0.000 0.859 484 V CB 1.034 33.012 31.823 0.258 0.000 0.988 484 V HN 0.607 nan 8.190 nan 0.000 0.431 485 Q N 3.869 123.821 119.800 0.254 0.000 2.496 485 Q HA 0.823 5.170 4.340 0.012 0.000 0.286 485 Q C -1.801 174.347 176.000 0.247 0.000 1.103 485 Q CA -0.964 54.954 55.803 0.191 0.000 0.813 485 Q CB 2.969 31.765 28.738 0.096 0.000 1.444 485 Q HN 0.603 nan 8.270 nan 0.000 0.443 486 Y N -0.218 120.082 120.300 -0.000 0.000 2.337 486 Y HA 0.132 4.688 4.550 0.011 0.000 0.318 486 Y C -0.625 175.204 175.900 -0.118 0.000 1.258 486 Y CA -0.719 57.347 58.100 -0.057 0.000 1.132 486 Y CB 1.937 40.348 38.460 -0.082 0.000 1.307 486 Y HN 0.964 nan 8.280 nan 0.000 0.428 487 E N 3.311 123.019 120.200 -0.821 0.000 2.318 487 E HA 0.137 4.494 4.350 0.012 0.000 0.193 487 E C 0.744 176.888 176.600 -0.760 0.000 0.998 487 E CA 0.700 56.718 56.400 -0.635 0.000 0.859 487 E CB 0.303 29.752 29.700 -0.419 0.000 0.812 487 E HN 0.890 nan 8.360 nan 0.000 0.492 488 G N -0.189 107.768 108.800 -1.404 0.000 2.647 488 G HA2 0.201 4.168 3.960 0.012 0.000 0.234 488 G HA3 0.201 4.168 3.960 0.012 0.000 0.234 488 G C 0.819 175.582 174.900 -0.229 0.000 1.252 488 G CA 0.290 45.003 45.100 -0.644 0.000 0.846 488 G HN 0.328 nan 8.290 nan 0.000 0.589 489 G N -0.892 107.872 108.800 -0.060 0.000 2.168 489 G HA2 0.209 4.176 3.960 0.012 0.000 0.257 489 G HA3 0.209 4.176 3.960 0.012 0.000 0.257 489 G C 1.296 176.207 174.900 0.017 0.000 0.997 489 G CA 1.126 46.253 45.100 0.046 0.000 0.708 489 G HN 2.603 nan 8.290 nan 0.000 0.520 490 G N -1.761 107.032 108.800 -0.011 0.000 2.227 490 G HA2 0.431 4.398 3.960 0.012 0.000 0.168 490 G HA3 0.431 4.398 3.960 0.012 0.000 0.168 490 G C 1.044 176.043 174.900 0.166 0.000 1.006 490 G CA 1.302 46.456 45.100 0.091 0.000 0.684 490 G HN 2.303 nan 8.290 nan 0.000 0.489 491 A N -0.090 122.718 122.820 -0.019 0.000 3.721 491 A HA -0.148 4.179 4.320 0.012 0.000 0.270 491 A C 1.140 178.679 177.584 -0.075 0.000 1.036 491 A CA 2.703 54.683 52.037 -0.095 0.000 1.102 491 A CB -1.769 17.163 19.000 -0.113 0.000 1.100 491 A HN 2.074 nan 8.150 nan 0.000 0.887 492 D N -1.077 119.358 120.400 0.059 0.000 2.712 492 D HA 0.292 4.939 4.640 0.012 0.000 0.300 492 D C 0.443 176.757 176.300 0.022 0.000 1.521 492 D CA 0.884 54.925 54.000 0.069 0.000 0.790 492 D CB -1.226 39.762 40.800 0.314 0.000 1.155 492 D HN 0.855 nan 8.370 nan 0.000 0.456 493 T N -2.066 112.432 114.554 -0.093 0.000 2.652 493 T HA 0.162 4.519 4.350 0.012 0.000 0.319 493 T C 1.610 176.187 174.700 -0.204 0.000 1.029 493 T CA 0.657 62.639 62.100 -0.197 0.000 0.990 493 T CB 0.689 69.210 68.868 -0.579 0.000 1.098 493 T HN 0.082 nan 8.240 nan 0.000 0.520 494 T N -2.522 111.909 114.554 -0.205 0.000 3.118 494 T HA 0.240 4.597 4.350 0.012 0.000 0.260 494 T C 1.683 176.126 174.700 -0.429 0.000 1.139 494 T CA 0.298 62.282 62.100 -0.194 0.000 1.085 494 T CB -0.470 68.371 68.868 -0.046 0.000 0.934 494 T HN 0.819 nan 8.240 nan 0.000 0.518 495 A N 0.504 123.069 122.820 -0.424 0.000 2.337 495 A HA 0.470 4.797 4.320 0.012 0.000 0.227 495 A C 0.924 178.298 177.584 -0.350 0.000 1.259 495 A CA -0.153 51.611 52.037 -0.456 0.000 0.870 495 A CB -0.050 18.902 19.000 -0.080 0.000 0.927 495 A HN 0.429 nan 8.150 nan 0.000 0.497 496 T N -1.317 113.059 114.554 -0.296 0.000 2.952 496 T HA 0.365 4.722 4.350 0.012 0.000 0.305 496 T C -0.557 174.159 174.700 0.026 0.000 1.064 496 T CA -0.489 61.600 62.100 -0.018 0.000 1.008 496 T CB 1.211 70.065 68.868 -0.023 0.000 1.078 496 T HN 0.104 nan 8.240 nan 0.000 0.459 497 D N 2.899 123.394 120.400 0.160 0.000 2.348 497 D HA 0.244 4.891 4.640 0.012 0.000 0.211 497 D C 0.423 176.753 176.300 0.050 0.000 0.998 497 D CA 0.731 54.813 54.000 0.137 0.000 0.873 497 D CB 0.453 41.364 40.800 0.184 0.000 0.925 497 D HN 0.535 nan 8.370 nan 0.000 0.524 498 I N 0.835 121.416 120.570 0.018 0.000 2.608 498 I HA 0.259 4.436 4.170 0.012 0.000 0.295 498 I C -0.176 175.878 176.117 -0.106 0.000 1.049 498 I CA -0.973 60.304 61.300 -0.039 0.000 1.063 498 I CB 2.793 40.779 38.000 -0.024 0.000 1.248 498 I HN -0.360 nan 8.210 nan 0.000 0.424 499 I N 5.513 125.974 120.570 -0.182 0.000 2.505 499 I HA 0.044 4.221 4.170 0.012 0.000 0.287 499 I C 0.134 176.049 176.117 -0.337 0.000 1.104 499 I CA 0.077 61.176 61.300 -0.336 0.000 1.387 499 I CB 0.130 37.810 38.000 -0.534 0.000 1.404 499 I HN 0.663 nan 8.210 nan 0.000 0.528 500 C N 5.632 124.751 119.300 -0.302 0.000 3.401 500 C HA 0.466 4.933 4.460 0.012 0.000 0.204 500 C C -2.153 172.702 174.990 -0.225 0.000 1.522 500 C CA -2.325 56.561 59.018 -0.220 0.000 1.409 500 C CB -0.964 26.700 27.740 -0.125 0.000 1.967 500 C HN 0.412 nan 8.230 nan 0.000 0.496 501 P HA 0.257 nan 4.420 nan 0.000 0.271 501 P C -0.389 176.853 177.300 -0.096 0.000 1.244 501 P CA 0.431 63.426 63.100 -0.176 0.000 0.793 501 P CB 0.635 32.228 31.700 -0.178 0.000 0.984 502 M N 0.141 119.716 119.600 -0.041 0.000 2.181 502 M HA 0.452 4.939 4.480 0.012 0.000 0.323 502 M C -0.949 175.384 176.300 0.055 0.000 1.004 502 M CA -0.680 54.518 55.300 -0.169 0.000 0.941 502 M CB 1.180 33.688 32.600 -0.154 0.000 1.579 502 M HN 0.335 nan 8.290 nan 0.000 0.427 503 Y N -0.125 120.336 120.300 0.268 0.000 4.272 503 Y HA -0.195 4.362 4.550 0.012 0.000 0.232 503 Y C 0.358 176.426 175.900 0.279 0.000 1.149 503 Y CA 0.422 58.689 58.100 0.277 0.000 1.961 503 Y CB -2.293 36.316 38.460 0.249 0.000 1.611 503 Y HN 0.975 nan 8.280 nan 0.000 0.682 504 A N 0.993 124.022 122.820 0.349 0.000 2.388 504 A HA 0.682 5.009 4.320 0.012 0.000 0.257 504 A C 0.637 178.445 177.584 0.373 0.000 1.095 504 A CA -0.598 51.648 52.037 0.349 0.000 0.791 504 A CB 0.480 19.715 19.000 0.391 0.000 1.029 504 A HN 0.403 nan 8.150 nan 0.000 0.489 505 R N 1.378 122.024 120.500 0.245 0.000 2.528 505 R HA 0.334 4.681 4.340 0.012 0.000 0.271 505 R C 0.984 177.261 176.300 -0.039 0.000 1.056 505 R CA -0.739 55.429 56.100 0.114 0.000 1.117 505 R CB 0.729 31.065 30.300 0.060 0.000 1.085 505 R HN 0.473 nan 8.270 nan 0.000 0.530 506 V N 0.888 120.608 119.914 -0.323 0.000 2.261 506 V HA -0.235 3.892 4.120 0.012 0.000 0.246 506 V C 0.956 176.938 176.094 -0.186 0.000 1.047 506 V CA 1.951 64.029 62.300 -0.369 0.000 1.015 506 V CB -0.249 31.235 31.823 -0.566 0.000 0.642 506 V HN 0.781 nan 8.190 nan 0.000 0.446 507 D N -1.758 118.562 120.400 -0.133 0.000 2.479 507 D HA 0.103 4.750 4.640 0.012 0.000 0.221 507 D C 0.879 177.165 176.300 -0.025 0.000 1.104 507 D CA 0.021 53.978 54.000 -0.072 0.000 0.849 507 D CB 0.716 41.475 40.800 -0.067 0.000 1.072 507 D HN 0.450 nan 8.370 nan 0.000 0.502 508 E N 2.112 122.301 120.200 -0.018 0.000 2.130 508 E HA 0.098 4.455 4.350 0.012 0.000 0.284 508 E C -0.839 175.766 176.600 0.009 0.000 1.018 508 E CA -0.566 55.833 56.400 -0.002 0.000 0.817 508 E CB 0.853 30.549 29.700 -0.006 0.000 1.078 508 E HN -0.137 nan 8.360 nan 0.000 0.396 509 D N 3.587 123.998 120.400 0.019 0.000 2.372 509 D HA 0.086 4.733 4.640 0.012 0.000 0.243 509 D C -0.426 175.788 176.300 -0.144 0.000 1.121 509 D CA 0.403 54.414 54.000 0.020 0.000 0.898 509 D CB 0.955 41.840 40.800 0.140 0.000 1.202 509 D HN 0.416 nan 8.370 nan 0.000 0.428 510 Q N 1.399 120.999 119.800 -0.333 0.000 3.090 510 Q HA 0.214 4.561 4.340 0.012 0.000 0.241 510 Q C -2.251 173.201 176.000 -0.913 0.000 0.958 510 Q CA -1.467 53.965 55.803 -0.618 0.000 0.715 510 Q CB 2.230 30.577 28.738 -0.652 0.000 1.298 510 Q HN 0.192 nan 8.270 nan 0.000 0.468 511 P HA -0.060 nan 4.420 nan 0.000 0.237 511 P C -0.552 176.449 177.300 -0.497 0.000 1.701 511 P CA 0.156 62.865 63.100 -0.650 0.000 0.955 511 P CB -0.688 30.835 31.700 -0.296 0.000 1.937 512 F N 1.629 121.405 119.950 -0.290 0.000 2.539 512 F HA 0.135 4.668 4.527 0.011 0.000 0.340 512 F C -1.211 174.478 175.800 -0.185 0.000 1.185 512 F CA -2.087 55.800 58.000 -0.189 0.000 1.333 512 F CB -0.663 38.243 39.000 -0.156 0.000 1.152 512 F HN 0.054 nan 8.300 nan 0.000 0.602 513 P HA 0.257 nan 4.420 nan 0.000 0.280 513 P C 0.049 177.363 177.300 0.022 0.000 1.244 513 P CA 0.727 63.846 63.100 0.033 0.000 0.784 513 P CB 1.461 33.178 31.700 0.029 0.000 0.913 514 A N 2.859 125.684 122.820 0.007 0.000 2.624 514 A HA -0.223 4.104 4.320 0.012 0.000 0.235 514 A C 0.637 178.225 177.584 0.006 0.000 0.588 514 A CA 1.878 53.922 52.037 0.012 0.000 1.172 514 A CB -2.676 16.330 19.000 0.010 0.000 1.370 514 A HN 0.677 nan 8.150 nan 0.000 0.695 515 V N -2.784 117.128 119.914 -0.003 0.000 2.405 515 V HA 0.590 4.717 4.120 0.012 0.000 0.253 515 V C -2.480 173.604 176.094 -0.016 0.000 0.963 515 V CA -1.219 61.079 62.300 -0.002 0.000 1.003 515 V CB 0.764 32.588 31.823 0.001 0.000 1.251 515 V HN 0.508 nan 8.190 nan 0.000 0.520 516 P HA 0.331 nan 4.420 nan 0.000 0.274 516 P C -0.647 176.251 177.300 -0.671 0.000 1.231 516 P CA -0.092 62.663 63.100 -0.576 0.000 0.790 516 P CB 1.223 32.163 31.700 -1.265 0.000 0.951 517 K N 2.171 122.260 120.400 -0.518 0.000 2.357 517 K HA 0.201 4.528 4.320 0.012 0.000 0.251 517 K C -0.440 175.967 176.600 -0.321 0.000 1.069 517 K CA -0.285 55.895 56.287 -0.179 0.000 0.994 517 K CB 0.279 32.866 32.500 0.145 0.000 1.411 517 K HN 0.467 nan 8.250 nan 0.000 0.450 518 W N 1.344 122.437 121.300 -0.344 0.000 2.126 518 W HA 0.047 4.715 4.660 0.013 0.000 0.346 518 W C 1.333 177.900 176.519 0.079 0.000 1.279 518 W CA -0.503 56.695 57.345 -0.245 0.000 1.259 518 W CB 0.402 29.556 29.460 -0.511 0.000 1.133 518 W HN 0.362 nan 8.180 nan 0.000 0.592 519 S N 2.699 118.580 115.700 0.301 0.000 2.563 519 S HA -0.061 4.416 4.470 0.012 0.000 0.284 519 S C 1.138 175.893 174.600 0.258 0.000 1.331 519 S CA -0.139 58.171 58.200 0.185 0.000 1.047 519 S CB 0.251 63.505 63.200 0.089 0.000 0.859 519 S HN 0.513 nan 8.310 nan 0.000 0.514 520 I N 1.896 122.572 120.570 0.176 0.000 2.286 520 I HA -0.111 4.066 4.170 0.012 0.000 0.248 520 I C 2.184 178.320 176.117 0.033 0.000 1.115 520 I CA 1.161 62.559 61.300 0.164 0.000 1.392 520 I CB -0.409 37.640 38.000 0.081 0.000 1.065 520 I HN 0.609 nan 8.210 nan 0.000 0.418 521 K N 1.572 121.882 120.400 -0.150 0.000 2.026 521 K HA -0.207 4.120 4.320 0.012 0.000 0.208 521 K C 2.321 178.884 176.600 -0.062 0.000 1.048 521 K CA 2.046 58.133 56.287 -0.333 0.000 0.929 521 K CB -0.226 32.020 32.500 -0.424 0.000 0.713 521 K HN 0.403 nan 8.250 nan 0.000 0.439 522 K N 0.102 120.505 120.400 0.005 0.000 2.155 522 K HA -0.171 4.156 4.320 0.012 0.000 0.203 522 K C 1.934 178.566 176.600 0.053 0.000 1.052 522 K CA 0.780 57.070 56.287 0.004 0.000 0.948 522 K CB -0.075 32.392 32.500 -0.054 0.000 0.728 522 K HN 0.232 nan 8.250 nan 0.000 0.448 523 W N 2.111 123.391 121.300 -0.034 0.000 2.338 523 W HA -0.184 4.481 4.660 0.009 0.000 0.304 523 W C 1.573 178.071 176.519 -0.035 0.000 1.212 523 W CA 1.115 58.453 57.345 -0.011 0.000 1.264 523 W CB -0.546 28.988 29.460 0.122 0.000 1.142 523 W HN 0.090 nan 8.180 nan 0.000 0.512 524 L N 0.842 122.220 121.223 0.258 0.000 2.081 524 L HA -0.250 4.097 4.340 0.012 0.000 0.212 524 L C 2.201 179.140 176.870 0.115 0.000 1.080 524 L CA 2.034 56.961 54.840 0.144 0.000 0.754 524 L CB -1.012 41.111 42.059 0.107 0.000 0.893 524 L HN -0.019 nan 8.230 nan 0.000 0.433 525 S N -1.317 114.434 115.700 0.084 0.000 2.582 525 S HA 0.270 4.747 4.470 0.012 0.000 0.234 525 S C 0.540 175.132 174.600 -0.013 0.000 0.961 525 S CA -0.543 57.679 58.200 0.038 0.000 0.953 525 S CB -0.467 62.755 63.200 0.036 0.000 0.800 525 S HN 0.147 nan 8.310 nan 0.000 0.471 526 L N 1.858 123.065 121.223 -0.026 0.000 2.499 526 L HA 0.225 4.572 4.340 0.012 0.000 0.281 526 L C -2.147 174.695 176.870 -0.047 0.000 1.234 526 L CA -1.723 53.052 54.840 -0.108 0.000 0.839 526 L CB -0.358 41.614 42.059 -0.145 0.000 1.104 526 L HN 0.019 nan 8.230 nan 0.000 0.500 527 P HA -0.052 nan 4.420 nan 0.000 0.258 527 P C 0.749 178.046 177.300 -0.006 0.000 1.172 527 P CA 1.133 64.213 63.100 -0.033 0.000 0.762 527 P CB 0.414 32.088 31.700 -0.043 0.000 0.764 528 G N 1.899 110.702 108.800 0.005 0.000 2.184 528 G HA2 -0.284 3.683 3.960 0.012 0.000 0.264 528 G HA3 -0.284 3.683 3.960 0.012 0.000 0.264 528 G C 0.256 175.175 174.900 0.033 0.000 0.975 528 G CA 0.201 45.312 45.100 0.018 0.000 0.642 528 G HN 0.615 nan 8.290 nan 0.000 0.536 529 E N 0.920 121.146 120.200 0.042 0.000 2.313 529 E HA 0.611 4.968 4.350 0.012 0.000 0.276 529 E C 1.349 177.979 176.600 0.051 0.000 1.031 529 E CA 0.533 56.973 56.400 0.066 0.000 0.857 529 E CB 0.823 30.591 29.700 0.114 0.000 1.040 529 E HN 0.504 nan 8.360 nan 0.000 0.408 530 T N 0.562 115.142 114.554 0.043 0.000 3.087 530 T HA 0.337 4.694 4.350 0.012 0.000 0.283 530 T C 0.519 175.231 174.700 0.020 0.000 0.956 530 T CA -0.454 61.665 62.100 0.031 0.000 0.894 530 T CB 0.084 68.969 68.868 0.027 0.000 1.160 530 T HN 0.255 nan 8.240 nan 0.000 0.532 531 R N 2.332 122.840 120.500 0.013 0.000 2.637 531 R HA 0.466 4.813 4.340 0.012 0.000 0.269 531 R C -2.568 173.712 176.300 -0.033 0.000 1.089 531 R CA -1.794 54.301 56.100 -0.009 0.000 1.177 531 R CB 0.024 30.312 30.300 -0.019 0.000 1.091 531 R HN 0.222 nan 8.270 nan 0.000 0.540 532 P HA 0.111 nan 4.420 nan 0.000 0.276 532 P C -1.075 176.154 177.300 -0.119 0.000 1.244 532 P CA -0.231 62.826 63.100 -0.070 0.000 0.801 532 P CB 0.701 32.359 31.700 -0.069 0.000 1.006 533 L N 2.302 123.434 121.223 -0.152 0.000 2.349 533 L HA 0.584 4.931 4.340 0.012 0.000 0.278 533 L C -1.069 175.660 176.870 -0.236 0.000 0.996 533 L CA -0.641 54.070 54.840 -0.215 0.000 0.825 533 L CB 0.602 42.522 42.059 -0.230 0.000 1.243 533 L HN 0.223 nan 8.230 nan 0.000 0.412 534 I N 5.769 126.208 120.570 -0.219 0.000 2.500 534 I HA 0.254 4.431 4.170 0.012 0.000 0.286 534 I C -0.803 175.228 176.117 -0.142 0.000 1.063 534 I CA -0.551 60.617 61.300 -0.220 0.000 1.062 534 I CB 2.009 39.937 38.000 -0.120 0.000 1.223 534 I HN 0.480 nan 8.210 nan 0.000 0.435 535 L N 5.616 126.727 121.223 -0.185 0.000 2.462 535 L HA 0.046 4.393 4.340 0.012 0.000 0.272 535 L C 1.469 178.401 176.870 0.103 0.000 1.166 535 L CA -0.095 54.695 54.840 -0.084 0.000 0.880 535 L CB 0.742 42.724 42.059 -0.128 0.000 1.142 535 L HN 0.871 nan 8.230 nan 0.000 0.473 536 C N 0.330 119.664 119.300 0.058 0.000 2.448 536 C HA 0.139 4.606 4.460 0.012 0.000 0.280 536 C C 0.688 175.790 174.990 0.186 0.000 1.398 536 C CA -0.204 58.880 59.018 0.111 0.000 1.774 536 C CB -1.019 26.703 27.740 -0.031 0.000 1.888 536 C HN 0.814 nan 8.230 nan 0.000 0.519 537 E N -0.869 119.368 120.200 0.061 0.000 2.308 537 E HA 0.651 5.008 4.350 0.012 0.000 0.275 537 E C -1.312 175.183 176.600 -0.175 0.000 0.890 537 E CA -0.440 55.956 56.400 -0.006 0.000 0.754 537 E CB 2.167 31.656 29.700 -0.352 0.000 1.207 537 E HN 0.649 nan 8.360 nan 0.000 0.426 538 Y N -0.913 119.320 120.300 -0.111 0.000 2.713 538 Y HA 0.590 5.148 4.550 0.013 0.000 0.335 538 Y C -0.899 175.158 175.900 0.261 0.000 1.222 538 Y CA -0.767 57.296 58.100 -0.063 0.000 1.061 538 Y CB 0.845 39.159 38.460 -0.242 0.000 1.314 538 Y HN 0.676 nan 8.280 nan 0.000 0.453 539 A N 2.104 124.962 122.820 0.064 0.000 2.360 539 A HA -0.260 4.067 4.320 0.012 0.000 0.289 539 A C -0.452 177.274 177.584 0.236 0.000 1.437 539 A CA 1.026 53.112 52.037 0.082 0.000 0.734 539 A CB -2.490 16.425 19.000 -0.141 0.000 1.145 539 A HN 1.124 nan 8.150 nan 0.000 0.374 540 H N 0.811 120.058 119.070 0.295 0.000 3.253 540 H HA 0.274 4.837 4.556 0.012 0.000 0.250 540 H C 1.157 176.581 175.328 0.160 0.000 1.051 540 H CA 0.829 57.071 56.048 0.323 0.000 1.458 540 H CB 0.332 30.229 29.762 0.225 0.000 1.549 540 H HN 0.802 nan 8.280 nan 0.000 0.506 541 A N 6.433 129.179 122.820 -0.123 0.000 2.728 541 A HA 0.032 4.359 4.320 0.012 0.000 0.258 541 A C 0.976 178.432 177.584 -0.214 0.000 1.454 541 A CA -0.344 51.599 52.037 -0.157 0.000 1.146 541 A CB -0.730 18.176 19.000 -0.157 0.000 0.985 541 A HN 0.802 nan 8.150 nan 0.000 0.603 542 M N 1.348 120.801 119.600 -0.245 0.000 2.156 542 M HA 0.446 4.933 4.480 0.012 0.000 0.345 542 M C 0.976 177.114 176.300 -0.271 0.000 1.398 542 M CA 1.209 56.372 55.300 -0.229 0.000 1.148 542 M CB -0.325 32.196 32.600 -0.132 0.000 1.663 542 M HN 0.807 nan 8.290 nan 0.000 0.464 543 G N 4.257 112.857 108.800 -0.333 0.000 2.550 543 G HA2 -0.342 3.625 3.960 0.012 0.000 0.277 543 G HA3 -0.342 3.625 3.960 0.012 0.000 0.277 543 G C -0.192 174.147 174.900 -0.935 0.000 1.190 543 G CA 0.092 44.803 45.100 -0.648 0.000 0.971 543 G HN 0.831 nan 8.290 nan 0.000 0.559 544 N N 1.458 119.518 118.700 -1.067 0.000 2.508 544 N HA 0.508 5.255 4.740 0.012 0.000 0.253 544 N C -0.040 175.221 175.510 -0.415 0.000 1.145 544 N CA 1.072 53.658 53.050 -0.773 0.000 0.973 544 N CB 0.496 38.606 38.487 -0.628 0.000 1.305 544 N HN 0.769 nan 8.380 nan 0.000 0.506 545 S N 1.976 117.516 115.700 -0.267 0.000 2.998 545 S HA 0.623 5.100 4.470 0.012 0.000 0.321 545 S C -0.156 174.388 174.600 -0.092 0.000 1.171 545 S CA -0.359 57.744 58.200 -0.161 0.000 0.882 545 S CB 0.232 63.359 63.200 -0.121 0.000 1.301 545 S HN 0.379 nan 8.310 nan 0.000 0.629 546 L N 0.151 121.356 121.223 -0.030 0.000 4.609 546 L HA -0.042 4.305 4.340 0.012 0.000 0.396 546 L C 0.438 177.367 176.870 0.099 0.000 1.028 546 L CA 0.866 55.725 54.840 0.030 0.000 1.232 546 L CB -1.723 40.274 42.059 -0.104 0.000 2.071 546 L HN 0.721 nan 8.230 nan 0.000 0.613 547 G N -0.770 108.050 108.800 0.033 0.000 2.365 547 G HA2 0.485 4.452 3.960 0.012 0.000 0.249 547 G HA3 0.485 4.452 3.960 0.012 0.000 0.249 547 G C 1.222 176.175 174.900 0.087 0.000 1.288 547 G CA 0.196 45.295 45.100 -0.002 0.000 0.887 547 G HN 1.416 nan 8.290 nan 0.000 0.524 548 G N 1.624 110.468 108.800 0.074 0.000 2.175 548 G HA2 -0.307 3.660 3.960 0.012 0.000 0.244 548 G HA3 -0.307 3.660 3.960 0.012 0.000 0.244 548 G C 1.012 176.088 174.900 0.293 0.000 0.982 548 G CA 0.728 45.914 45.100 0.144 0.000 0.641 548 G HN 0.834 nan 8.290 nan 0.000 0.527 549 F N 1.893 121.965 119.950 0.203 0.000 2.120 549 F HA 0.068 4.602 4.527 0.012 0.000 0.300 549 F C 2.648 178.674 175.800 0.376 0.000 1.095 549 F CA 2.756 60.951 58.000 0.324 0.000 1.249 549 F CB -0.315 38.810 39.000 0.207 0.000 0.995 549 F HN 0.350 nan 8.300 nan 0.000 0.480 550 A N -0.349 122.634 122.820 0.272 0.000 2.019 550 A HA -0.215 4.112 4.320 0.012 0.000 0.219 550 A C 2.258 179.871 177.584 0.049 0.000 1.164 550 A CA 1.605 53.743 52.037 0.168 0.000 0.644 550 A CB -0.790 18.313 19.000 0.172 0.000 0.805 550 A HN 0.467 nan 8.150 nan 0.000 0.449 551 K N -1.525 118.882 120.400 0.012 0.000 2.147 551 K HA -0.182 4.145 4.320 0.012 0.000 0.205 551 K C 1.633 178.022 176.600 -0.351 0.000 1.049 551 K CA 1.581 57.790 56.287 -0.130 0.000 0.936 551 K CB -0.294 32.129 32.500 -0.129 0.000 0.722 551 K HN 0.597 nan 8.250 nan 0.000 0.446 552 Y N -0.750 119.300 120.300 -0.418 0.000 2.109 552 Y HA -0.237 4.320 4.550 0.011 0.000 0.285 552 Y C 2.035 177.040 175.900 -1.492 0.000 1.131 552 Y CA 1.597 59.114 58.100 -0.971 0.000 1.121 552 Y CB -0.468 37.410 38.460 -0.971 0.000 0.987 552 Y HN 0.145 nan 8.280 nan 0.000 0.495 553 W N 0.303 121.204 121.300 -0.665 0.000 2.331 553 W HA -0.239 4.429 4.660 0.013 0.000 0.291 553 W C 2.598 178.947 176.519 -0.284 0.000 1.214 553 W CA 1.704 58.786 57.345 -0.438 0.000 1.228 553 W CB -0.553 28.747 29.460 -0.267 0.000 1.135 553 W HN 0.132 nan 8.180 nan 0.000 0.537 554 Q N 0.582 120.281 119.800 -0.168 0.000 2.119 554 Q HA -0.128 4.219 4.340 0.012 0.000 0.201 554 Q C 2.169 178.102 176.000 -0.112 0.000 0.972 554 Q CA 1.910 57.662 55.803 -0.086 0.000 0.847 554 Q CB -0.499 28.211 28.738 -0.047 0.000 0.903 554 Q HN 0.272 nan 8.270 nan 0.000 0.433 555 A N -0.176 122.483 122.820 -0.268 0.000 1.929 555 A HA -0.050 4.277 4.320 0.012 0.000 0.216 555 A C 1.986 179.552 177.584 -0.030 0.000 1.176 555 A CA 0.730 52.661 52.037 -0.177 0.000 0.628 555 A CB -0.923 17.856 19.000 -0.368 0.000 0.816 555 A HN 0.451 nan 8.150 nan 0.000 0.444 556 F N -0.465 119.320 119.950 -0.275 0.000 2.216 556 F HA -0.167 4.367 4.527 0.012 0.000 0.300 556 F C 2.727 178.428 175.800 -0.164 0.000 1.085 556 F CA 0.977 58.784 58.000 -0.321 0.000 1.326 556 F CB -0.101 38.497 39.000 -0.671 0.000 1.027 556 F HN 0.146 nan 8.300 nan 0.000 0.497 557 R N 0.013 120.563 120.500 0.083 0.000 2.093 557 R HA -0.138 4.209 4.340 0.012 0.000 0.224 557 R C 2.156 178.482 176.300 0.045 0.000 1.101 557 R CA 0.993 57.125 56.100 0.053 0.000 0.979 557 R CB -0.316 30.012 30.300 0.046 0.000 0.877 557 R HN 0.326 nan 8.270 nan 0.000 0.441 558 Q N -0.375 119.474 119.800 0.082 0.000 2.123 558 Q HA -0.082 4.265 4.340 0.012 0.000 0.199 558 Q C -0.463 175.552 176.000 0.025 0.000 0.966 558 Q CA 1.086 56.928 55.803 0.064 0.000 0.845 558 Q CB 0.294 29.096 28.738 0.107 0.000 0.907 558 Q HN 0.169 nan 8.270 nan 0.000 0.439 559 Y N 0.081 120.362 120.300 -0.031 0.000 2.335 559 Y HA 0.258 4.815 4.550 0.010 0.000 0.339 559 Y C -1.778 174.097 175.900 -0.043 0.000 0.987 559 Y CA -2.943 55.139 58.100 -0.030 0.000 1.140 559 Y CB 1.293 39.740 38.460 -0.022 0.000 1.173 559 Y HN 0.136 nan 8.280 nan 0.000 0.486 560 P HA -0.129 nan 4.420 nan 0.000 0.215 560 P C 1.071 178.372 177.300 0.001 0.000 1.153 560 P CA 1.706 64.806 63.100 0.000 0.000 0.853 560 P CB 0.321 32.007 31.700 -0.024 0.000 0.788 561 R N -0.982 119.539 120.500 0.035 0.000 2.316 561 R HA 0.063 4.410 4.340 0.012 0.000 0.202 561 R C 0.499 176.780 176.300 -0.031 0.000 1.029 561 R CA 0.246 56.349 56.100 0.004 0.000 1.018 561 R CB -0.590 29.722 30.300 0.019 0.000 0.888 561 R HN 0.252 nan 8.270 nan 0.000 0.471 562 L N 1.873 123.097 121.223 0.002 0.000 2.282 562 L HA 0.130 4.477 4.340 0.012 0.000 0.287 562 L C 0.629 177.357 176.870 -0.238 0.000 1.075 562 L CA 0.114 54.911 54.840 -0.072 0.000 0.839 562 L CB 1.157 43.247 42.059 0.052 0.000 1.219 562 L HN 0.090 nan 8.230 nan 0.000 0.434 563 Q N 2.718 122.292 119.800 -0.377 0.000 2.204 563 Q HA 0.313 4.660 4.340 0.012 0.000 0.209 563 Q C 0.779 176.320 176.000 -0.765 0.000 0.861 563 Q CA 0.075 55.606 55.803 -0.453 0.000 0.971 563 Q CB 1.097 29.674 28.738 -0.268 0.000 1.095 563 Q HN 0.940 nan 8.270 nan 0.000 0.486 564 G N -0.438 107.480 108.800 -1.470 0.000 2.384 564 G HA2 0.141 4.108 3.960 0.012 0.000 0.204 564 G HA3 0.141 4.108 3.960 0.012 0.000 0.204 564 G C -0.411 173.686 174.900 -1.337 0.000 1.237 564 G CA -0.752 43.190 45.100 -1.930 0.000 1.060 564 G HN 0.495 nan 8.290 nan 0.000 0.514 565 G N -2.235 106.047 108.800 -0.863 0.000 2.430 565 G HA2 0.666 4.633 3.960 0.012 0.000 0.300 565 G HA3 0.666 4.633 3.960 0.012 0.000 0.300 565 G C -1.917 172.906 174.900 -0.128 0.000 1.330 565 G CA -0.383 44.429 45.100 -0.479 0.000 0.813 565 G HN 1.115 nan 8.290 nan 0.000 0.487 566 F N 0.788 120.965 119.950 0.378 0.000 2.445 566 F HA 0.502 5.036 4.527 0.011 0.000 0.348 566 F C 0.723 176.810 175.800 0.478 0.000 1.125 566 F CA -0.731 57.524 58.000 0.424 0.000 0.983 566 F CB 2.033 41.179 39.000 0.243 0.000 1.198 566 F HN 0.246 nan 8.300 nan 0.000 0.436 567 V N 3.090 123.320 119.914 0.526 0.000 2.872 567 V HA -0.146 3.981 4.120 0.012 0.000 0.307 567 V C -0.197 176.060 176.094 0.273 0.000 1.072 567 V CA -0.267 62.144 62.300 0.185 0.000 1.148 567 V CB 0.734 32.668 31.823 0.185 0.000 0.954 567 V HN 0.766 nan 8.190 nan 0.000 0.490 568 W N 6.378 127.768 121.300 0.150 0.000 2.278 568 W HA 0.468 5.135 4.660 0.011 0.000 0.317 568 W C -0.875 175.669 176.519 0.041 0.000 1.030 568 W CA -0.616 56.855 57.345 0.210 0.000 1.334 568 W CB 1.221 30.987 29.460 0.510 0.000 1.215 568 W HN 0.934 nan 8.180 nan 0.000 0.405 569 D N 2.552 122.686 120.400 -0.444 0.000 2.825 569 D HA 0.078 4.725 4.640 0.012 0.000 0.327 569 D C 0.668 176.770 176.300 -0.330 0.000 1.277 569 D CA -0.584 53.046 54.000 -0.617 0.000 0.950 569 D CB 0.196 40.116 40.800 -1.468 0.000 1.438 569 D HN 0.408 nan 8.370 nan 0.000 0.526 570 W N 0.372 121.377 121.300 -0.493 0.000 2.380 570 W HA 0.088 4.755 4.660 0.012 0.000 0.317 570 W C -0.039 176.260 176.519 -0.367 0.000 1.196 570 W CA 1.182 58.285 57.345 -0.403 0.000 1.307 570 W CB 0.304 29.555 29.460 -0.349 0.000 1.157 570 W HN 0.161 nan 8.180 nan 0.000 0.483 571 V N 2.703 122.395 119.914 -0.370 0.000 2.588 571 V HA 0.228 4.355 4.120 0.012 0.000 0.304 571 V C -0.778 175.127 176.094 -0.314 0.000 1.042 571 V CA -0.874 61.162 62.300 -0.440 0.000 0.877 571 V CB 1.451 33.109 31.823 -0.276 0.000 0.996 571 V HN -0.075 nan 8.190 nan 0.000 0.425 572 D N 4.465 124.685 120.400 -0.300 0.000 2.488 572 D HA 0.069 4.716 4.640 0.012 0.000 0.238 572 D C 0.257 176.421 176.300 -0.226 0.000 1.138 572 D CA 0.600 54.488 54.000 -0.186 0.000 0.873 572 D CB 0.918 41.701 40.800 -0.029 0.000 1.183 572 D HN 0.625 nan 8.370 nan 0.000 0.458 573 Q N 0.975 120.589 119.800 -0.311 0.000 2.894 573 Q HA 0.118 4.465 4.340 0.012 0.000 0.358 573 Q C -0.088 175.936 176.000 0.038 0.000 1.155 573 Q CA -0.319 55.105 55.803 -0.632 0.000 0.960 573 Q CB 0.076 28.540 28.738 -0.457 0.000 1.428 573 Q HN 0.345 nan 8.270 nan 0.000 0.437 574 S N -0.238 115.570 115.700 0.181 0.000 2.585 574 S HA 0.582 5.059 4.470 0.012 0.000 0.277 574 S C -0.123 174.634 174.600 0.262 0.000 1.241 574 S CA -0.779 57.614 58.200 0.322 0.000 1.041 574 S CB 1.388 64.756 63.200 0.280 0.000 0.987 574 S HN 0.325 nan 8.310 nan 0.000 0.512 575 L N 2.362 123.664 121.223 0.131 0.000 2.334 575 L HA 0.486 4.834 4.340 0.012 0.000 0.276 575 L C -0.164 176.597 176.870 -0.183 0.000 1.014 575 L CA -1.111 53.675 54.840 -0.090 0.000 0.815 575 L CB 1.331 43.246 42.059 -0.240 0.000 1.268 575 L HN 0.576 nan 8.230 nan 0.000 0.428 576 I N 3.281 123.680 120.570 -0.286 0.000 2.533 576 I HA 0.128 4.305 4.170 0.012 0.000 0.284 576 I C 0.239 175.952 176.117 -0.673 0.000 1.109 576 I CA 0.213 61.212 61.300 -0.501 0.000 1.412 576 I CB 0.579 38.285 38.000 -0.489 0.000 1.396 576 I HN 0.604 nan 8.210 nan 0.000 0.543 577 K N 6.272 126.005 120.400 -1.112 0.000 2.295 577 K HA 0.577 4.904 4.320 0.012 0.000 0.239 577 K C -1.494 174.327 176.600 -1.298 0.000 0.991 577 K CA -0.757 54.755 56.287 -1.292 0.000 0.845 577 K CB 2.208 33.758 32.500 -1.584 0.000 1.197 577 K HN 0.283 nan 8.250 nan 0.000 0.441 578 Y N 1.217 121.261 120.300 -0.427 0.000 2.346 578 Y HA 0.075 4.632 4.550 0.012 0.000 0.332 578 Y C -0.029 175.981 175.900 0.183 0.000 0.985 578 Y CA -1.156 56.898 58.100 -0.076 0.000 1.112 578 Y CB 1.447 39.869 38.460 -0.063 0.000 1.170 578 Y HN 0.712 nan 8.280 nan 0.000 0.447 579 D N 1.049 121.737 120.400 0.481 0.000 2.369 579 D HA -0.079 4.568 4.640 0.012 0.000 0.241 579 D C 1.083 177.499 176.300 0.194 0.000 1.271 579 D CA -0.059 54.135 54.000 0.322 0.000 0.942 579 D CB 0.776 41.699 40.800 0.206 0.000 1.129 579 D HN 0.549 nan 8.370 nan 0.000 0.476 580 E N -0.313 119.957 120.200 0.116 0.000 2.160 580 E HA -0.195 4.162 4.350 0.012 0.000 0.195 580 E C 1.067 177.702 176.600 0.059 0.000 0.991 580 E CA 0.812 57.254 56.400 0.069 0.000 0.810 580 E CB -0.135 29.587 29.700 0.037 0.000 0.742 580 E HN 0.405 nan 8.360 nan 0.000 0.466 581 N N -0.201 118.542 118.700 0.071 0.000 2.550 581 N HA -0.062 4.685 4.740 0.012 0.000 0.186 581 N C 1.099 176.649 175.510 0.066 0.000 1.110 581 N CA 1.044 54.128 53.050 0.057 0.000 0.912 581 N CB 0.231 38.752 38.487 0.057 0.000 0.968 581 N HN 0.292 nan 8.380 nan 0.000 0.448 582 G N 0.871 109.733 108.800 0.105 0.000 2.160 582 G HA2 -0.250 3.717 3.960 0.012 0.000 0.244 582 G HA3 -0.250 3.717 3.960 0.012 0.000 0.244 582 G C -0.300 174.734 174.900 0.224 0.000 1.022 582 G CA -0.300 44.858 45.100 0.097 0.000 0.741 582 G HN 0.263 nan 8.290 nan 0.000 0.508 583 N N 1.106 119.974 118.700 0.280 0.000 2.509 583 N HA 0.580 5.327 4.740 0.012 0.000 0.287 583 N C -2.319 173.407 175.510 0.361 0.000 1.121 583 N CA -1.615 51.607 53.050 0.286 0.000 0.977 583 N CB 1.506 40.114 38.487 0.200 0.000 1.167 583 N HN 0.143 nan 8.380 nan 0.000 0.476 584 P HA 0.345 nan 4.420 nan 0.000 0.276 584 P C -0.639 176.633 177.300 -0.047 0.000 1.244 584 P CA -0.376 62.575 63.100 -0.248 0.000 0.801 584 P CB 0.614 32.158 31.700 -0.260 0.000 1.006 585 W N -1.550 119.521 121.300 -0.381 0.000 3.571 585 W HA 0.327 4.994 4.660 0.012 0.000 0.294 585 W C -1.630 174.678 176.519 -0.351 0.000 1.257 585 W CA -0.859 56.252 57.345 -0.390 0.000 1.206 585 W CB 0.027 29.022 29.460 -0.775 0.000 1.325 585 W HN 0.106 nan 8.180 nan 0.000 0.546 586 S N 2.092 117.798 115.700 0.009 0.000 2.443 586 S HA 0.503 4.980 4.470 0.012 0.000 0.284 586 S C 0.382 175.062 174.600 0.135 0.000 1.206 586 S CA 0.009 58.225 58.200 0.026 0.000 1.074 586 S CB 0.524 63.819 63.200 0.158 0.000 0.963 586 S HN 0.616 nan 8.310 nan 0.000 0.501 587 A N 3.186 125.923 122.820 -0.138 0.000 2.294 587 A HA 0.879 5.206 4.320 0.012 0.000 0.330 587 A C -0.507 177.299 177.584 0.369 0.000 1.133 587 A CA -0.726 51.266 52.037 -0.076 0.000 0.836 587 A CB 0.613 19.215 19.000 -0.662 0.000 1.190 587 A HN 0.835 nan 8.150 nan 0.000 0.492 588 Y N -1.237 119.381 120.300 0.531 0.000 3.068 588 Y HA 0.738 5.295 4.550 0.012 0.000 0.302 588 Y C 0.658 176.947 175.900 0.647 0.000 1.610 588 Y CA -1.392 57.068 58.100 0.600 0.000 1.078 588 Y CB -0.062 38.585 38.460 0.311 0.000 1.418 588 Y HN 0.908 nan 8.280 nan 0.000 0.525 589 G N 0.187 109.409 108.800 0.703 0.000 2.138 589 G HA2 0.369 4.336 3.960 0.012 0.000 0.256 589 G HA3 0.369 4.336 3.960 0.012 0.000 0.256 589 G C 0.952 176.175 174.900 0.540 0.000 1.141 589 G CA 0.576 45.977 45.100 0.501 0.000 0.967 589 G HN 1.988 nan 8.290 nan 0.000 0.435 590 G N 2.663 111.747 108.800 0.474 0.000 2.241 590 G HA2 -0.276 3.691 3.960 0.012 0.000 0.244 590 G HA3 -0.276 3.691 3.960 0.012 0.000 0.244 590 G C 0.877 175.954 174.900 0.296 0.000 0.998 590 G CA 0.515 45.830 45.100 0.358 0.000 0.621 590 G HN 0.637 nan 8.290 nan 0.000 0.519 591 D N 0.012 120.564 120.400 0.255 0.000 2.407 591 D HA 0.112 4.759 4.640 0.012 0.000 0.234 591 D C 1.139 177.225 176.300 -0.358 0.000 1.029 591 D CA 0.602 54.556 54.000 -0.076 0.000 0.937 591 D CB -0.266 40.393 40.800 -0.235 0.000 0.882 591 D HN 0.507 nan 8.370 nan 0.000 0.531 592 F N -1.225 118.850 119.950 0.209 0.000 2.724 592 F HA 0.309 4.843 4.527 0.012 0.000 0.310 592 F C 1.835 177.721 175.800 0.143 0.000 1.107 592 F CA -0.261 57.827 58.000 0.146 0.000 1.218 592 F CB 0.640 39.722 39.000 0.136 0.000 1.042 592 F HN -0.053 nan 8.300 nan 0.000 0.540 593 G N 0.429 109.378 108.800 0.248 0.000 2.179 593 G HA2 -0.288 3.679 3.960 0.012 0.000 0.260 593 G HA3 -0.288 3.679 3.960 0.012 0.000 0.260 593 G C -0.126 174.903 174.900 0.215 0.000 0.977 593 G CA 0.184 45.399 45.100 0.192 0.000 0.641 593 G HN 0.413 nan 8.290 nan 0.000 0.533 594 D N 0.460 121.036 120.400 0.293 0.000 2.455 594 D HA 0.472 5.119 4.640 0.012 0.000 0.241 594 D C 0.210 176.624 176.300 0.190 0.000 1.138 594 D CA 1.110 55.269 54.000 0.266 0.000 0.877 594 D CB 1.487 42.498 40.800 0.352 0.000 1.187 594 D HN 0.566 nan 8.370 nan 0.000 0.451 595 T N 0.769 115.406 114.554 0.137 0.000 3.225 595 T HA 0.379 4.736 4.350 0.012 0.000 0.356 595 T C -2.818 171.914 174.700 0.054 0.000 1.460 595 T CA -1.139 61.014 62.100 0.089 0.000 1.126 595 T CB 1.099 70.022 68.868 0.091 0.000 1.321 595 T HN 0.277 nan 8.240 nan 0.000 0.478 596 P HA 0.435 nan 4.420 nan 0.000 0.273 596 P C -0.842 176.441 177.300 -0.027 0.000 1.250 596 P CA -0.394 62.700 63.100 -0.010 0.000 0.793 596 P CB 0.391 32.058 31.700 -0.055 0.000 1.011 597 N N -0.856 117.820 118.700 -0.040 0.000 2.825 597 N HA 0.164 4.912 4.740 0.012 0.000 0.253 597 N C -1.435 174.003 175.510 -0.119 0.000 1.426 597 N CA -0.615 52.384 53.050 -0.086 0.000 0.851 597 N CB 1.225 39.755 38.487 0.072 0.000 1.470 597 N HN 0.145 nan 8.380 nan 0.000 0.517 598 D N -0.333 119.924 120.400 -0.239 0.000 2.615 598 D HA 0.137 4.784 4.640 0.012 0.000 0.236 598 D C 0.818 177.309 176.300 0.318 0.000 1.233 598 D CA -0.352 53.604 54.000 -0.074 0.000 0.829 598 D CB 0.355 40.965 40.800 -0.315 0.000 1.024 598 D HN 0.587 nan 8.370 nan 0.000 0.490 599 R N 0.338 121.022 120.500 0.307 0.000 3.731 599 R HA -0.385 3.962 4.340 0.012 0.000 0.488 599 R C 1.178 177.559 176.300 0.135 0.000 0.241 599 R CA 1.762 58.063 56.100 0.336 0.000 1.531 599 R CB -1.398 29.023 30.300 0.201 0.000 0.923 599 R HN 0.288 nan 8.270 nan 0.000 0.596 600 Q N 1.527 121.121 119.800 -0.343 0.000 2.365 600 Q HA 0.055 4.402 4.340 0.012 0.000 0.203 600 Q C 1.379 177.137 176.000 -0.403 0.000 0.929 600 Q CA 0.744 56.169 55.803 -0.629 0.000 0.948 600 Q CB 0.197 28.325 28.738 -1.018 0.000 1.043 600 Q HN 0.599 nan 8.270 nan 0.000 0.505 601 F N 1.518 121.403 119.950 -0.108 0.000 2.494 601 F HA -0.154 4.380 4.527 0.012 0.000 0.298 601 F C 2.286 178.001 175.800 -0.141 0.000 1.106 601 F CA 1.234 59.227 58.000 -0.012 0.000 1.452 601 F CB -0.092 38.968 39.000 0.100 0.000 1.085 601 F HN 0.470 nan 8.300 nan 0.000 0.569 602 C N -1.281 117.696 119.300 -0.538 0.000 2.562 602 C HA 0.199 4.666 4.460 0.012 0.000 0.266 602 C C 1.081 175.883 174.990 -0.313 0.000 1.382 602 C CA -0.488 58.084 59.018 -0.744 0.000 1.742 602 C CB -1.571 25.201 27.740 -1.613 0.000 1.812 602 C HN 0.168 nan 8.230 nan 0.000 0.559 603 M N 2.800 122.259 119.600 -0.236 0.000 2.055 603 M HA 0.278 4.765 4.480 0.012 0.000 0.346 603 M C -0.461 175.750 176.300 -0.149 0.000 1.074 603 M CA 0.370 55.578 55.300 -0.154 0.000 1.009 603 M CB 0.042 32.585 32.600 -0.095 0.000 1.423 603 M HN 0.401 nan 8.290 nan 0.000 0.410 604 N N 0.837 119.446 118.700 -0.151 0.000 2.232 604 N HA 0.190 4.937 4.740 0.012 0.000 0.240 604 N C 0.333 175.663 175.510 -0.300 0.000 1.307 604 N CA -0.519 52.407 53.050 -0.207 0.000 0.859 604 N CB 1.158 39.592 38.487 -0.088 0.000 1.260 604 N HN 0.648 nan 8.380 nan 0.000 0.501 605 G N 0.002 108.598 108.800 -0.339 0.000 2.537 605 G HA2 0.367 4.334 3.960 0.012 0.000 0.273 605 G HA3 0.367 4.334 3.960 0.012 0.000 0.273 605 G C 0.639 175.136 174.900 -0.672 0.000 1.189 605 G CA -0.523 44.275 45.100 -0.503 0.000 0.881 605 G HN 0.113 nan 8.290 nan 0.000 0.535 606 L N -0.100 120.717 121.223 -0.677 0.000 2.418 606 L HA 0.157 4.504 4.340 0.012 0.000 0.218 606 L C 0.952 177.223 176.870 -0.999 0.000 1.125 606 L CA 0.252 54.703 54.840 -0.648 0.000 0.835 606 L CB -0.210 41.622 42.059 -0.378 0.000 0.953 606 L HN 0.405 nan 8.230 nan 0.000 0.454 607 V N -4.868 114.330 119.914 -1.194 0.000 3.001 607 V HA 0.483 4.610 4.120 0.012 0.000 0.314 607 V C -0.283 175.242 176.094 -0.948 0.000 1.099 607 V CA -1.257 60.410 62.300 -1.053 0.000 0.989 607 V CB 1.689 32.974 31.823 -0.897 0.000 1.040 607 V HN -0.138 nan 8.190 nan 0.000 0.434 608 F N 1.313 121.022 119.950 -0.401 0.000 2.440 608 F HA 0.552 5.086 4.527 0.012 0.000 0.323 608 F C 1.901 177.606 175.800 -0.158 0.000 1.192 608 F CA 0.477 58.411 58.000 -0.110 0.000 1.252 608 F CB 1.185 40.192 39.000 0.012 0.000 1.214 608 F HN 0.785 nan 8.300 nan 0.000 0.578 609 A N 0.877 123.784 122.820 0.145 0.000 2.076 609 A HA -0.216 4.111 4.320 0.012 0.000 0.220 609 A C 1.587 179.146 177.584 -0.041 0.000 1.160 609 A CA 1.861 53.933 52.037 0.058 0.000 0.653 609 A CB -0.856 18.223 19.000 0.131 0.000 0.801 609 A HN 0.781 nan 8.150 nan 0.000 0.455 610 D N -2.888 117.500 120.400 -0.019 0.000 2.325 610 D HA 0.149 4.796 4.640 0.012 0.000 0.225 610 D C 0.575 176.854 176.300 -0.035 0.000 1.096 610 D CA -0.157 53.801 54.000 -0.070 0.000 0.844 610 D CB -0.093 40.664 40.800 -0.072 0.000 0.925 610 D HN 0.136 nan 8.370 nan 0.000 0.513 611 R N -1.607 118.870 120.500 -0.039 0.000 3.892 611 R HA -0.120 4.227 4.340 0.012 0.000 0.441 611 R C -0.395 175.886 176.300 -0.031 0.000 1.052 611 R CA 1.069 57.131 56.100 -0.064 0.000 1.190 611 R CB -3.257 27.046 30.300 0.004 0.000 1.808 611 R HN 0.253 nan 8.270 nan 0.000 0.538 612 T N 2.340 116.925 114.554 0.052 0.000 2.794 612 T HA 0.404 4.761 4.350 0.012 0.000 0.296 612 T C -2.328 172.492 174.700 0.201 0.000 0.949 612 T CA -1.042 61.127 62.100 0.115 0.000 1.101 612 T CB 1.324 70.268 68.868 0.126 0.000 0.905 612 T HN -0.107 nan 8.240 nan 0.000 0.516 613 P HA 0.201 nan 4.420 nan 0.000 0.274 613 P C -0.182 177.184 177.300 0.110 0.000 1.231 613 P CA -0.294 62.792 63.100 -0.023 0.000 0.790 613 P CB 0.463 32.157 31.700 -0.011 0.000 0.951 614 H N 2.255 121.174 119.070 -0.251 0.000 2.495 614 H HA 0.156 4.719 4.556 0.012 0.000 0.350 614 H C -1.292 173.955 175.328 -0.134 0.000 1.202 614 H CA -2.044 53.842 56.048 -0.270 0.000 1.322 614 H CB 0.378 29.918 29.762 -0.370 0.000 1.544 614 H HN 0.331 nan 8.280 nan 0.000 0.565 615 P HA -0.156 nan 4.420 nan 0.000 0.218 615 P C 1.216 178.520 177.300 0.007 0.000 1.149 615 P CA 1.430 64.529 63.100 -0.002 0.000 0.817 615 P CB -0.025 31.665 31.700 -0.018 0.000 0.785 616 A N -0.230 122.598 122.820 0.014 0.000 1.986 616 A HA -0.212 4.115 4.320 0.012 0.000 0.220 616 A C 2.105 179.641 177.584 -0.079 0.000 1.171 616 A CA 1.471 53.480 52.037 -0.048 0.000 0.640 616 A CB -1.724 17.229 19.000 -0.078 0.000 0.811 616 A HN 0.166 nan 8.150 nan 0.000 0.451 617 L N -0.420 120.775 121.223 -0.046 0.000 2.051 617 L HA -0.187 4.160 4.340 0.012 0.000 0.214 617 L C 2.585 179.488 176.870 0.056 0.000 1.076 617 L CA 2.825 57.667 54.840 0.004 0.000 0.758 617 L CB -0.963 41.095 42.059 -0.001 0.000 0.890 617 L HN 0.426 nan 8.230 nan 0.000 0.433 618 T N -2.087 112.507 114.554 0.067 0.000 2.951 618 T HA -0.162 4.195 4.350 0.012 0.000 0.268 618 T C 1.789 176.587 174.700 0.164 0.000 1.073 618 T CA 1.284 63.477 62.100 0.155 0.000 1.134 618 T CB -0.113 68.834 68.868 0.130 0.000 0.884 618 T HN 0.478 nan 8.240 nan 0.000 0.479 619 E N 0.792 121.026 120.200 0.057 0.000 2.107 619 E HA 0.130 4.487 4.350 0.012 0.000 0.191 619 E C 2.174 178.738 176.600 -0.060 0.000 0.982 619 E CA 1.255 57.685 56.400 0.050 0.000 0.809 619 E CB -0.594 29.103 29.700 -0.005 0.000 0.756 619 E HN 0.530 nan 8.360 nan 0.000 0.459 620 A N 1.045 123.714 122.820 -0.252 0.000 1.902 620 A HA -0.207 4.120 4.320 0.012 0.000 0.217 620 A C 2.149 179.586 177.584 -0.245 0.000 1.181 620 A CA 1.785 53.601 52.037 -0.369 0.000 0.623 620 A CB -0.589 18.208 19.000 -0.338 0.000 0.818 620 A HN 0.247 nan 8.150 nan 0.000 0.443 621 K N -1.126 119.213 120.400 -0.103 0.000 2.044 621 K HA -0.295 4.032 4.320 0.012 0.000 0.210 621 K C 2.055 178.551 176.600 -0.173 0.000 1.049 621 K CA 2.074 58.323 56.287 -0.063 0.000 0.927 621 K CB -0.335 32.281 32.500 0.194 0.000 0.713 621 K HN 0.670 nan 8.250 nan 0.000 0.443 622 H N 0.296 119.194 119.070 -0.286 0.000 2.326 622 H HA -0.004 4.559 4.556 0.012 0.000 0.301 622 H C 1.948 177.008 175.328 -0.447 0.000 1.081 622 H CA 1.686 57.384 56.048 -0.585 0.000 1.334 622 H CB 0.085 29.533 29.762 -0.523 0.000 1.385 622 H HN 0.211 nan 8.280 nan 0.000 0.504 623 Q N 0.237 119.774 119.800 -0.439 0.000 2.291 623 Q HA -0.079 4.268 4.340 0.012 0.000 0.205 623 Q C 1.346 176.852 176.000 -0.824 0.000 0.970 623 Q CA 1.085 56.564 55.803 -0.540 0.000 0.876 623 Q CB 0.088 28.690 28.738 -0.227 0.000 0.935 623 Q HN 0.720 nan 8.270 nan 0.000 0.455 624 Q N 0.132 119.409 119.800 -0.871 0.000 2.247 624 Q HA 0.093 4.440 4.340 0.012 0.000 0.205 624 Q C -0.056 175.426 176.000 -0.863 0.000 0.896 624 Q CA -0.203 54.941 55.803 -1.098 0.000 0.950 624 Q CB 0.324 28.424 28.738 -1.062 0.000 1.054 624 Q HN 0.348 nan 8.270 nan 0.000 0.482 625 Q N -0.560 118.864 119.800 -0.628 0.000 2.474 625 Q HA 0.002 4.349 4.340 0.012 0.000 0.256 625 Q C -0.131 175.515 176.000 -0.590 0.000 1.048 625 Q CA 0.402 55.966 55.803 -0.398 0.000 0.922 625 Q CB 0.482 29.052 28.738 -0.280 0.000 1.288 625 Q HN 0.312 nan 8.270 nan 0.000 0.484 626 F N -0.165 119.553 119.950 -0.387 0.000 2.695 626 F HA 0.241 4.775 4.527 0.011 0.000 0.303 626 F C -0.306 174.848 175.800 -1.078 0.000 1.091 626 F CA -0.108 57.408 58.000 -0.807 0.000 1.300 626 F CB 0.612 38.842 39.000 -1.283 0.000 1.071 626 F HN 0.273 nan 8.300 nan 0.000 0.578 627 F N 0.693 120.569 119.950 -0.123 0.000 2.493 627 F HA 0.492 5.026 4.527 0.012 0.000 0.329 627 F C -0.166 175.281 175.800 -0.587 0.000 1.126 627 F CA -1.139 56.668 58.000 -0.321 0.000 0.937 627 F CB 1.242 40.060 39.000 -0.303 0.000 1.146 627 F HN -0.295 nan 8.300 nan 0.000 0.442 628 Q N 3.256 122.769 119.800 -0.478 0.000 2.306 628 Q HA 0.605 4.952 4.340 0.012 0.000 0.265 628 Q C -1.283 174.404 176.000 -0.521 0.000 1.022 628 Q CA -0.633 54.942 55.803 -0.380 0.000 0.853 628 Q CB 2.799 31.447 28.738 -0.150 0.000 1.327 628 Q HN 0.534 nan 8.270 nan 0.000 0.449 629 F N -0.071 120.008 119.950 0.215 0.000 2.577 629 F HA 0.635 5.170 4.527 0.012 0.000 0.318 629 F C 0.283 176.302 175.800 0.364 0.000 1.065 629 F CA -0.924 57.265 58.000 0.314 0.000 0.929 629 F CB 1.924 41.228 39.000 0.506 0.000 1.237 629 F HN 0.171 nan 8.300 nan 0.000 0.468 630 R N 1.096 121.891 120.500 0.493 0.000 2.725 630 R HA 0.711 5.058 4.340 0.012 0.000 0.277 630 R C -2.025 174.356 176.300 0.134 0.000 0.987 630 R CA -1.170 55.142 56.100 0.354 0.000 0.901 630 R CB 2.868 33.278 30.300 0.183 0.000 1.207 630 R HN 0.587 nan 8.270 nan 0.000 0.463 631 L N 0.761 121.950 121.223 -0.057 0.000 2.341 631 L HA 0.550 4.897 4.340 0.012 0.000 0.278 631 L C -1.036 175.690 176.870 -0.239 0.000 1.005 631 L CA 0.121 54.681 54.840 -0.465 0.000 0.818 631 L CB 2.095 43.355 42.059 -1.331 0.000 1.259 631 L HN 0.502 nan 8.230 nan 0.000 0.418 632 S N 3.533 119.111 115.700 -0.205 0.000 2.775 632 S HA 0.676 5.154 4.470 0.012 0.000 0.277 632 S C 0.248 174.762 174.600 -0.142 0.000 1.156 632 S CA 0.141 58.262 58.200 -0.131 0.000 1.081 632 S CB 0.341 63.498 63.200 -0.071 0.000 1.054 632 S HN 1.440 nan 8.310 nan 0.000 0.482 633 G N 4.585 113.302 108.800 -0.138 0.000 2.611 633 G HA2 -0.352 3.615 3.960 0.012 0.000 0.301 633 G HA3 -0.352 3.615 3.960 0.012 0.000 0.301 633 G C 0.335 175.126 174.900 -0.181 0.000 1.233 633 G CA 0.999 46.019 45.100 -0.133 0.000 0.993 633 G HN 0.876 nan 8.290 nan 0.000 0.553 634 Q N 0.690 120.389 119.800 -0.169 0.000 2.365 634 Q HA 0.341 4.688 4.340 0.012 0.000 0.203 634 Q C 0.886 176.753 176.000 -0.222 0.000 0.929 634 Q CA 1.188 56.865 55.803 -0.210 0.000 0.948 634 Q CB -0.613 28.016 28.738 -0.181 0.000 1.043 634 Q HN 0.598 nan 8.270 nan 0.000 0.505 635 T N 1.037 115.479 114.554 -0.187 0.000 2.744 635 T HA 0.583 4.940 4.350 0.012 0.000 0.291 635 T C -0.050 174.546 174.700 -0.174 0.000 0.957 635 T CA -0.556 61.451 62.100 -0.155 0.000 1.002 635 T CB 0.812 69.621 68.868 -0.099 0.000 0.919 635 T HN 0.151 nan 8.240 nan 0.000 0.468 636 I N 2.944 123.422 120.570 -0.152 0.000 2.315 636 I HA 0.239 4.416 4.170 0.012 0.000 0.291 636 I C 0.707 176.843 176.117 0.032 0.000 1.006 636 I CA -0.481 60.759 61.300 -0.100 0.000 1.265 636 I CB 0.949 38.904 38.000 -0.074 0.000 1.387 636 I HN 0.625 nan 8.210 nan 0.000 0.475 637 E N 6.953 127.202 120.200 0.081 0.000 2.115 637 E HA 0.377 4.734 4.350 0.012 0.000 0.282 637 E C -1.360 175.353 176.600 0.188 0.000 0.987 637 E CA -0.568 55.898 56.400 0.109 0.000 0.797 637 E CB 1.270 31.015 29.700 0.074 0.000 1.086 637 E HN 0.363 nan 8.360 nan 0.000 0.397 638 V N 4.139 124.147 119.914 0.156 0.000 2.427 638 V HA 0.335 4.462 4.120 0.012 0.000 0.286 638 V C 0.038 176.155 176.094 0.038 0.000 1.034 638 V CA -0.542 61.825 62.300 0.111 0.000 0.893 638 V CB 1.766 33.689 31.823 0.166 0.000 0.982 638 V HN 0.703 nan 8.190 nan 0.000 0.452 639 T N 3.073 117.597 114.554 -0.051 0.000 2.812 639 T HA 0.334 4.691 4.350 0.012 0.000 0.282 639 T C -0.172 174.509 174.700 -0.031 0.000 0.990 639 T CA -0.286 61.800 62.100 -0.023 0.000 0.960 639 T CB 1.572 70.413 68.868 -0.044 0.000 0.948 639 T HN 0.679 nan 8.240 nan 0.000 0.438 640 S N 1.732 117.429 115.700 -0.005 0.000 2.537 640 S HA 0.230 4.707 4.470 0.012 0.000 0.275 640 S C 0.818 175.292 174.600 -0.209 0.000 1.272 640 S CA -0.519 57.609 58.200 -0.120 0.000 1.050 640 S CB 0.643 63.849 63.200 0.009 0.000 0.961 640 S HN 0.732 nan 8.310 nan 0.000 0.496 641 E N 2.842 122.817 120.200 -0.375 0.000 2.481 641 E HA 0.094 4.451 4.350 0.012 0.000 0.198 641 E C -0.733 175.702 176.600 -0.274 0.000 1.027 641 E CA -0.085 56.130 56.400 -0.307 0.000 0.900 641 E CB 0.306 29.798 29.700 -0.345 0.000 0.993 641 E HN 0.693 nan 8.360 nan 0.000 0.482 642 Y N 0.394 120.561 120.300 -0.221 0.000 2.397 642 Y HA -0.006 4.551 4.550 0.011 0.000 0.335 642 Y C 1.406 177.146 175.900 -0.265 0.000 1.213 642 Y CA 0.084 58.065 58.100 -0.198 0.000 1.391 642 Y CB 0.743 39.081 38.460 -0.204 0.000 1.293 642 Y HN -0.044 nan 8.280 nan 0.000 0.557 643 L N 1.169 122.235 121.223 -0.262 0.000 2.408 643 L HA 0.034 4.381 4.340 0.012 0.000 0.215 643 L C 0.692 177.143 176.870 -0.699 0.000 1.081 643 L CA 0.755 55.203 54.840 -0.654 0.000 0.840 643 L CB 0.003 41.269 42.059 -1.322 0.000 1.002 643 L HN 0.655 nan 8.230 nan 0.000 0.468 644 F N -0.791 119.180 119.950 0.036 0.000 2.699 644 F HA 0.213 4.746 4.527 0.011 0.000 0.295 644 F C 1.261 177.051 175.800 -0.017 0.000 1.052 644 F CA -0.789 57.206 58.000 -0.008 0.000 1.239 644 F CB 0.256 39.230 39.000 -0.043 0.000 1.018 644 F HN -0.155 nan 8.300 nan 0.000 0.627 645 R N 0.224 120.766 120.500 0.071 0.000 2.573 645 R HA 0.482 4.829 4.340 0.012 0.000 0.272 645 R C -1.152 175.155 176.300 0.012 0.000 1.009 645 R CA -0.632 55.466 56.100 -0.004 0.000 1.059 645 R CB 0.829 31.017 30.300 -0.186 0.000 1.112 645 R HN 0.063 nan 8.270 nan 0.000 0.517 646 H N -0.103 118.957 119.070 -0.016 0.000 2.508 646 H HA 0.121 4.684 4.556 0.012 0.000 0.358 646 H C -0.011 175.335 175.328 0.029 0.000 1.212 646 H CA 0.279 56.347 56.048 0.033 0.000 1.356 646 H CB 1.310 31.094 29.762 0.037 0.000 1.525 646 H HN 0.748 nan 8.280 nan 0.000 0.578 647 S N 1.266 117.086 115.700 0.201 0.000 4.120 647 S HA -0.009 4.468 4.470 0.012 0.000 0.196 647 S C 0.074 174.781 174.600 0.179 0.000 1.447 647 S CA -0.408 57.923 58.200 0.219 0.000 0.939 647 S CB -0.598 62.758 63.200 0.260 0.000 1.496 647 S HN 0.695 nan 8.310 nan 0.000 0.460 648 D N 0.863 121.346 120.400 0.138 0.000 2.319 648 D HA 0.013 4.660 4.640 0.012 0.000 0.230 648 D C 0.393 176.730 176.300 0.062 0.000 1.094 648 D CA -0.094 53.962 54.000 0.094 0.000 0.856 648 D CB -0.332 40.507 40.800 0.065 0.000 0.915 648 D HN 0.522 nan 8.370 nan 0.000 0.517 649 N N -0.065 118.678 118.700 0.072 0.000 2.620 649 N HA 0.140 4.887 4.740 0.012 0.000 0.277 649 N C -1.576 173.980 175.510 0.077 0.000 1.726 649 N CA -0.219 52.867 53.050 0.059 0.000 0.840 649 N CB 0.302 38.815 38.487 0.043 0.000 1.379 649 N HN -0.048 nan 8.380 nan 0.000 0.506 650 E N -0.208 120.033 120.200 0.067 0.000 2.343 650 E HA 0.530 4.887 4.350 0.012 0.000 0.278 650 E C -1.427 175.195 176.600 0.036 0.000 0.910 650 E CA -0.735 55.696 56.400 0.052 0.000 0.757 650 E CB 2.089 31.786 29.700 -0.004 0.000 1.218 650 E HN 0.302 nan 8.360 nan 0.000 0.435 651 L N -0.111 121.141 121.223 0.049 0.000 2.333 651 L HA 0.761 5.108 4.340 0.012 0.000 0.263 651 L C -1.418 175.511 176.870 0.099 0.000 1.014 651 L CA -1.124 53.757 54.840 0.069 0.000 0.820 651 L CB 1.147 43.254 42.059 0.079 0.000 1.352 651 L HN 0.492 nan 8.230 nan 0.000 0.421 652 L N 2.123 123.426 121.223 0.132 0.000 2.272 652 L HA 0.469 4.816 4.340 0.012 0.000 0.289 652 L C -0.630 176.387 176.870 0.245 0.000 1.032 652 L CA 0.018 54.970 54.840 0.187 0.000 0.810 652 L CB 0.593 42.771 42.059 0.199 0.000 1.205 652 L HN 0.791 nan 8.230 nan 0.000 0.422 653 H N 6.350 125.491 119.070 0.119 0.000 2.488 653 H HA 0.306 4.869 4.556 0.012 0.000 0.322 653 H C -1.627 173.759 175.328 0.096 0.000 1.078 653 H CA -0.708 55.366 56.048 0.044 0.000 1.260 653 H CB 0.792 30.546 29.762 -0.014 0.000 1.425 653 H HN 0.753 nan 8.280 nan 0.000 0.471 654 W N 5.854 126.853 121.300 -0.502 0.000 2.761 654 W HA 0.527 5.194 4.660 0.012 0.000 0.340 654 W C -1.766 174.474 176.519 -0.465 0.000 1.072 654 W CA -1.603 55.530 57.345 -0.353 0.000 1.215 654 W CB 1.112 30.496 29.460 -0.127 0.000 1.420 654 W HN 0.595 nan 8.180 nan 0.000 0.519 655 M N 3.352 122.857 119.600 -0.158 0.000 2.322 655 M HA 0.589 5.076 4.480 0.012 0.000 0.285 655 M C -2.510 173.889 176.300 0.165 0.000 1.119 655 M CA -0.452 54.748 55.300 -0.167 0.000 0.953 655 M CB 2.261 34.715 32.600 -0.243 0.000 1.701 655 M HN 0.150 nan 8.290 nan 0.000 0.479 656 V N 3.465 123.502 119.914 0.204 0.000 2.555 656 V HA 1.009 5.136 4.120 0.012 0.000 0.302 656 V C -0.267 175.916 176.094 0.149 0.000 1.038 656 V CA -0.265 62.173 62.300 0.230 0.000 0.887 656 V CB 1.447 33.429 31.823 0.264 0.000 0.991 656 V HN 1.026 nan 8.190 nan 0.000 0.434 657 A N 4.002 126.924 122.820 0.170 0.000 2.498 657 A HA 0.877 5.204 4.320 0.012 0.000 0.298 657 A C -1.448 176.236 177.584 0.166 0.000 1.075 657 A CA -0.658 51.452 52.037 0.121 0.000 0.714 657 A CB 1.714 20.755 19.000 0.069 0.000 1.299 657 A HN 0.831 nan 8.150 nan 0.000 0.407 658 L N 1.382 122.678 121.223 0.121 0.000 2.255 658 L HA 0.482 4.829 4.340 0.012 0.000 0.289 658 L C -0.522 176.446 176.870 0.163 0.000 1.046 658 L CA 0.236 55.157 54.840 0.135 0.000 0.816 658 L CB 0.027 42.136 42.059 0.084 0.000 1.197 658 L HN 0.735 nan 8.230 nan 0.000 0.427 659 D N 5.038 125.602 120.400 0.274 0.000 2.755 659 D HA -0.208 4.439 4.640 0.012 0.000 0.227 659 D C 1.207 177.595 176.300 0.148 0.000 1.211 659 D CA 1.470 55.656 54.000 0.310 0.000 0.663 659 D CB -0.995 39.939 40.800 0.224 0.000 0.983 659 D HN 1.181 nan 8.370 nan 0.000 0.407 660 G N -0.451 108.397 108.800 0.079 0.000 2.179 660 G HA2 -0.364 3.603 3.960 0.012 0.000 0.260 660 G HA3 -0.364 3.603 3.960 0.012 0.000 0.260 660 G C 0.164 175.003 174.900 -0.103 0.000 0.977 660 G CA 0.615 45.641 45.100 -0.123 0.000 0.641 660 G HN 0.537 nan 8.290 nan 0.000 0.533 661 K N 1.559 121.945 120.400 -0.023 0.000 2.240 661 K HA 0.519 4.846 4.320 0.012 0.000 0.271 661 K C -2.804 173.789 176.600 -0.011 0.000 1.018 661 K CA -2.116 54.154 56.287 -0.029 0.000 0.874 661 K CB 2.159 34.656 32.500 -0.005 0.000 1.098 661 K HN 0.024 nan 8.250 nan 0.000 0.458 662 P HA 0.030 nan 4.420 nan 0.000 0.268 662 P C -0.061 177.242 177.300 0.005 0.000 1.205 662 P CA -0.049 63.041 63.100 -0.016 0.000 0.771 662 P CB 0.782 32.458 31.700 -0.040 0.000 0.858 663 L N 0.884 122.123 121.223 0.026 0.000 2.586 663 L HA 0.497 4.844 4.340 0.012 0.000 0.204 663 L C 0.902 177.799 176.870 0.045 0.000 1.053 663 L CA 0.357 55.222 54.840 0.041 0.000 0.856 663 L CB 0.057 42.156 42.059 0.066 0.000 1.192 663 L HN 0.391 nan 8.230 nan 0.000 0.484 664 A N -0.439 122.417 122.820 0.060 0.000 2.610 664 A HA 0.743 5.070 4.320 0.012 0.000 0.291 664 A C -0.978 176.525 177.584 -0.134 0.000 1.086 664 A CA 0.226 52.299 52.037 0.061 0.000 0.677 664 A CB 1.790 20.933 19.000 0.239 0.000 1.278 664 A HN 0.170 nan 8.150 nan 0.000 0.414 665 S N -1.164 114.232 115.700 -0.507 0.000 2.688 665 S HA 0.858 5.335 4.470 0.012 0.000 0.266 665 S C -0.281 173.453 174.600 -1.444 0.000 1.061 665 S CA 0.295 57.531 58.200 -1.606 0.000 0.844 665 S CB 0.472 63.199 63.200 -0.789 0.000 1.103 665 S HN 2.766 nan 8.310 nan 0.000 0.471 666 G N -0.206 107.482 108.800 -1.854 0.000 2.427 666 G HA2 0.589 4.556 3.960 0.012 0.000 0.306 666 G HA3 0.589 4.556 3.960 0.012 0.000 0.306 666 G C -2.273 172.398 174.900 -0.381 0.000 1.280 666 G CA -0.646 44.083 45.100 -0.618 0.000 0.837 666 G HN 0.830 nan 8.290 nan 0.000 0.482 667 E N -1.468 118.777 120.200 0.076 0.000 2.317 667 E HA 0.667 5.024 4.350 0.012 0.000 0.270 667 E C -1.343 175.394 176.600 0.227 0.000 0.885 667 E CA -0.747 55.759 56.400 0.176 0.000 0.760 667 E CB 3.149 32.923 29.700 0.124 0.000 1.227 667 E HN 0.344 nan 8.360 nan 0.000 0.434 668 V N 2.898 122.942 119.914 0.216 0.000 2.888 668 V HA 0.429 4.556 4.120 0.012 0.000 0.309 668 V C -2.458 173.712 176.094 0.128 0.000 1.114 668 V CA -1.796 60.606 62.300 0.170 0.000 0.940 668 V CB 2.059 33.987 31.823 0.176 0.000 1.021 668 V HN 0.598 nan 8.190 nan 0.000 0.426 669 P HA 0.324 nan 4.420 nan 0.000 0.278 669 P C -0.975 176.375 177.300 0.084 0.000 1.238 669 P CA -0.317 62.833 63.100 0.083 0.000 0.794 669 P CB 1.208 32.950 31.700 0.071 0.000 0.955 670 L N 2.804 124.069 121.223 0.070 0.000 2.257 670 L HA 0.293 4.640 4.340 0.012 0.000 0.290 670 L C -0.143 176.781 176.870 0.089 0.000 1.044 670 L CA 0.118 54.991 54.840 0.054 0.000 0.810 670 L CB 0.628 42.670 42.059 -0.028 0.000 1.193 670 L HN 0.365 nan 8.230 nan 0.000 0.425 671 D N 3.051 123.520 120.400 0.115 0.000 2.468 671 D HA 0.294 4.941 4.640 0.012 0.000 0.272 671 D C -1.078 175.319 176.300 0.161 0.000 1.221 671 D CA -0.080 54.029 54.000 0.182 0.000 0.860 671 D CB 1.032 41.929 40.800 0.163 0.000 1.190 671 D HN 0.050 nan 8.370 nan 0.000 0.509 672 V N 0.832 120.791 119.914 0.075 0.000 2.555 672 V HA 0.846 4.973 4.120 0.012 0.000 0.302 672 V C 0.642 176.473 176.094 -0.437 0.000 1.038 672 V CA -1.255 61.023 62.300 -0.035 0.000 0.887 672 V CB 1.556 33.444 31.823 0.108 0.000 0.991 672 V HN 0.408 nan 8.190 nan 0.000 0.434 673 A N 6.007 128.534 122.820 -0.488 0.000 2.322 673 A HA 0.715 5.042 4.320 0.012 0.000 0.269 673 A C -2.239 175.183 177.584 -0.270 0.000 1.094 673 A CA -1.644 49.959 52.037 -0.722 0.000 0.807 673 A CB -0.077 18.809 19.000 -0.189 0.000 1.047 673 A HN 0.717 nan 8.150 nan 0.000 0.487 674 P HA -0.046 nan 4.420 nan 0.000 0.261 674 P C -0.221 177.039 177.300 -0.067 0.000 1.173 674 P CA 0.835 63.897 63.100 -0.063 0.000 0.760 674 P CB 0.447 32.124 31.700 -0.038 0.000 0.783 675 Q N -0.614 119.143 119.800 -0.071 0.000 2.305 675 Q HA -0.200 4.147 4.340 0.012 0.000 0.203 675 Q C 0.879 176.853 176.000 -0.045 0.000 0.663 675 Q CA 1.276 57.037 55.803 -0.070 0.000 1.389 675 Q CB -1.708 26.986 28.738 -0.073 0.000 1.566 675 Q HN 0.796 nan 8.270 nan 0.000 0.755 676 G N 0.105 108.881 108.800 -0.040 0.000 2.532 676 G HA2 0.570 4.537 3.960 0.012 0.000 0.291 676 G HA3 0.570 4.537 3.960 0.012 0.000 0.291 676 G C -0.417 174.485 174.900 0.003 0.000 1.349 676 G CA -0.440 44.649 45.100 -0.019 0.000 1.038 676 G HN -0.005 nan 8.290 nan 0.000 0.518 677 K N -1.070 119.341 120.400 0.018 0.000 2.444 677 K HA 0.538 4.865 4.320 0.012 0.000 0.252 677 K C -0.987 175.642 176.600 0.049 0.000 0.993 677 K CA -0.627 55.681 56.287 0.035 0.000 0.847 677 K CB 2.466 34.982 32.500 0.027 0.000 1.340 677 K HN 0.522 nan 8.250 nan 0.000 0.446 678 Q N 2.132 121.969 119.800 0.062 0.000 2.284 678 Q HA 0.352 4.699 4.340 0.012 0.000 0.269 678 Q C -1.745 174.293 176.000 0.063 0.000 1.026 678 Q CA -0.572 55.271 55.803 0.066 0.000 0.831 678 Q CB 1.397 30.184 28.738 0.082 0.000 1.322 678 Q HN 0.520 nan 8.270 nan 0.000 0.419 679 L N 5.081 126.330 121.223 0.045 0.000 2.289 679 L HA 0.552 4.899 4.340 0.012 0.000 0.285 679 L C -0.466 176.414 176.870 0.017 0.000 1.049 679 L CA -0.602 54.255 54.840 0.027 0.000 0.804 679 L CB 1.146 43.211 42.059 0.011 0.000 1.195 679 L HN 0.619 nan 8.230 nan 0.000 0.428 680 I N 2.882 123.451 120.570 -0.001 0.000 2.439 680 I HA 0.212 4.389 4.170 0.012 0.000 0.283 680 I C -0.546 175.515 176.117 -0.092 0.000 1.023 680 I CA -0.566 60.718 61.300 -0.026 0.000 1.100 680 I CB 2.135 40.138 38.000 0.004 0.000 1.238 680 I HN 0.503 nan 8.210 nan 0.000 0.445 681 E N 5.992 126.135 120.200 -0.095 0.000 2.130 681 E HA 0.431 4.788 4.350 0.012 0.000 0.284 681 E C -0.821 175.659 176.600 -0.201 0.000 1.018 681 E CA -0.282 56.038 56.400 -0.135 0.000 0.817 681 E CB 1.049 30.692 29.700 -0.093 0.000 1.078 681 E HN 0.413 nan 8.360 nan 0.000 0.396 682 L N 6.117 127.157 121.223 -0.306 0.000 2.397 682 L HA 0.340 4.687 4.340 0.012 0.000 0.271 682 L C -1.757 174.912 176.870 -0.334 0.000 1.148 682 L CA -1.831 52.714 54.840 -0.490 0.000 0.825 682 L CB 0.423 42.089 42.059 -0.655 0.000 1.117 682 L HN 0.487 nan 8.230 nan 0.000 0.456 683 P HA 0.014 nan 4.420 nan 0.000 0.273 683 P C -0.688 176.533 177.300 -0.132 0.000 1.250 683 P CA -0.515 62.507 63.100 -0.129 0.000 0.793 683 P CB 0.385 32.088 31.700 0.006 0.000 1.011 684 E N 0.467 120.632 120.200 -0.059 0.000 2.498 684 E HA 0.027 4.384 4.350 0.012 0.000 0.252 684 E C 0.098 176.688 176.600 -0.016 0.000 1.025 684 E CA -0.028 56.345 56.400 -0.045 0.000 0.938 684 E CB -0.048 29.640 29.700 -0.020 0.000 0.947 684 E HN 0.255 nan 8.360 nan 0.000 0.478 685 L N 5.058 126.258 121.223 -0.039 0.000 2.464 685 L HA 0.373 4.720 4.340 0.012 0.000 0.224 685 L C -1.879 175.009 176.870 0.030 0.000 1.219 685 L CA -1.854 52.992 54.840 0.011 0.000 0.831 685 L CB -0.559 41.485 42.059 -0.026 0.000 1.284 685 L HN 0.423 nan 8.230 nan 0.000 0.522 686 P HA 0.297 nan 4.420 nan 0.000 0.292 686 P C -1.609 175.704 177.300 0.021 0.000 1.283 686 P CA -0.540 62.583 63.100 0.039 0.000 0.835 686 P CB 1.181 32.913 31.700 0.052 0.000 1.017 687 Q N 2.308 122.116 119.800 0.014 0.000 2.674 687 Q HA 0.360 4.707 4.340 0.012 0.000 0.249 687 Q C -2.108 173.898 176.000 0.009 0.000 1.011 687 Q CA -1.343 54.463 55.803 0.005 0.000 0.734 687 Q CB 0.896 29.632 28.738 -0.004 0.000 1.201 687 Q HN 0.403 nan 8.270 nan 0.000 0.498 688 P HA 0.150 nan 4.420 nan 0.000 0.281 688 P C 0.133 177.439 177.300 0.011 0.000 1.264 688 P CA -0.519 62.590 63.100 0.015 0.000 0.824 688 P CB 1.258 32.971 31.700 0.021 0.000 1.092 689 E N -0.579 119.628 120.200 0.013 0.000 2.122 689 E HA -0.029 4.328 4.350 0.012 0.000 0.190 689 E C 0.571 177.180 176.600 0.015 0.000 0.977 689 E CA 0.246 56.652 56.400 0.011 0.000 0.820 689 E CB -0.709 28.997 29.700 0.011 0.000 0.770 689 E HN 0.357 nan 8.360 nan 0.000 0.462 690 S N 1.102 116.813 115.700 0.019 0.000 2.626 690 S HA 0.207 4.684 4.470 0.012 0.000 0.303 690 S C 0.199 174.815 174.600 0.027 0.000 1.256 690 S CA 0.087 58.301 58.200 0.024 0.000 1.069 690 S CB 0.087 63.303 63.200 0.027 0.000 0.807 690 S HN 0.399 nan 8.310 nan 0.000 0.500 691 A N 4.219 127.057 122.820 0.031 0.000 2.445 691 A HA 0.658 4.985 4.320 0.012 0.000 0.242 691 A C 0.977 178.587 177.584 0.045 0.000 1.075 691 A CA 0.363 52.420 52.037 0.033 0.000 0.777 691 A CB -0.392 18.630 19.000 0.036 0.000 1.013 691 A HN 1.840 nan 8.150 nan 0.000 0.493 692 G N -0.188 108.637 108.800 0.041 0.000 2.359 692 G HA2 0.443 4.410 3.960 0.012 0.000 0.314 692 G HA3 0.443 4.410 3.960 0.012 0.000 0.314 692 G C -1.328 173.587 174.900 0.025 0.000 1.364 692 G CA -0.412 44.722 45.100 0.058 0.000 0.978 692 G HN 1.069 nan 8.290 nan 0.000 0.615 693 Q N -0.040 119.780 119.800 0.034 0.000 2.325 693 Q HA 0.715 5.062 4.340 0.012 0.000 0.262 693 Q C -0.242 175.734 176.000 -0.040 0.000 0.968 693 Q CA -0.545 55.211 55.803 -0.078 0.000 0.877 693 Q CB 1.186 29.811 28.738 -0.188 0.000 1.253 693 Q HN 0.562 nan 8.270 nan 0.000 0.448 694 L N 4.065 125.232 121.223 -0.093 0.000 2.349 694 L HA 0.414 4.761 4.340 0.012 0.000 0.275 694 L C -0.673 176.123 176.870 -0.123 0.000 1.115 694 L CA -0.281 54.556 54.840 -0.005 0.000 0.820 694 L CB 0.682 42.740 42.059 -0.002 0.000 1.135 694 L HN 0.641 nan 8.230 nan 0.000 0.445 695 W N 4.374 125.706 121.300 0.053 0.000 2.600 695 W HA 0.496 5.163 4.660 0.011 0.000 0.325 695 W C -0.720 175.881 176.519 0.136 0.000 1.034 695 W CA -0.539 56.860 57.345 0.089 0.000 1.226 695 W CB 1.667 31.186 29.460 0.098 0.000 1.379 695 W HN 0.155 nan 8.180 nan 0.000 0.466 696 L N 3.850 125.331 121.223 0.429 0.000 2.275 696 L HA 0.752 5.099 4.340 0.012 0.000 0.288 696 L C -0.304 176.843 176.870 0.462 0.000 1.046 696 L CA 0.391 55.467 54.840 0.393 0.000 0.805 696 L CB 1.128 43.383 42.059 0.328 0.000 1.193 696 L HN 0.304 nan 8.230 nan 0.000 0.426 697 T N 5.326 120.085 114.554 0.341 0.000 2.841 697 T HA 0.632 4.989 4.350 0.012 0.000 0.285 697 T C -0.694 174.137 174.700 0.219 0.000 0.991 697 T CA -0.413 61.851 62.100 0.272 0.000 0.966 697 T CB 1.471 70.443 68.868 0.173 0.000 0.962 697 T HN 0.617 nan 8.240 nan 0.000 0.438 698 V N 1.568 121.608 119.914 0.209 0.000 2.864 698 V HA 0.912 5.039 4.120 0.012 0.000 0.314 698 V C -0.953 175.221 176.094 0.133 0.000 1.073 698 V CA -1.225 61.157 62.300 0.136 0.000 0.956 698 V CB 2.060 33.925 31.823 0.070 0.000 1.023 698 V HN 0.910 nan 8.190 nan 0.000 0.435 699 R N 2.122 122.728 120.500 0.176 0.000 2.651 699 R HA 0.755 5.102 4.340 0.012 0.000 0.278 699 R C -1.853 174.597 176.300 0.250 0.000 1.010 699 R CA -0.740 55.514 56.100 0.257 0.000 0.896 699 R CB 1.859 32.309 30.300 0.249 0.000 1.211 699 R HN 0.559 nan 8.270 nan 0.000 0.456 700 V N 2.406 122.490 119.914 0.283 0.000 2.370 700 V HA 0.339 4.466 4.120 0.012 0.000 0.279 700 V C -0.101 176.106 176.094 0.189 0.000 1.029 700 V CA -0.700 61.727 62.300 0.212 0.000 0.870 700 V CB 1.679 33.618 31.823 0.194 0.000 0.984 700 V HN 0.492 nan 8.190 nan 0.000 0.451 701 V N 5.055 125.051 119.914 0.137 0.000 2.555 701 V HA 0.387 4.514 4.120 0.012 0.000 0.302 701 V C -0.150 176.007 176.094 0.105 0.000 1.038 701 V CA -0.710 61.654 62.300 0.107 0.000 0.887 701 V CB 1.959 33.818 31.823 0.060 0.000 0.991 701 V HN 0.887 nan 8.190 nan 0.000 0.434 702 Q N 5.636 125.511 119.800 0.125 0.000 2.406 702 Q HA 0.245 4.592 4.340 0.012 0.000 0.242 702 Q C -1.715 174.315 176.000 0.051 0.000 1.036 702 Q CA -1.714 54.154 55.803 0.108 0.000 0.904 702 Q CB 1.689 30.512 28.738 0.142 0.000 1.244 702 Q HN 0.497 nan 8.270 nan 0.000 0.478 703 P HA -0.156 nan 4.420 nan 0.000 0.217 703 P C -0.575 176.721 177.300 -0.008 0.000 1.151 703 P CA 1.132 64.239 63.100 0.011 0.000 0.828 703 P CB 0.396 32.104 31.700 0.013 0.000 0.788 704 N N -0.707 117.982 118.700 -0.018 0.000 2.456 704 N HA 0.463 5.210 4.740 0.012 0.000 0.296 704 N C -0.364 175.096 175.510 -0.083 0.000 1.102 704 N CA -0.731 52.295 53.050 -0.041 0.000 0.924 704 N CB 1.058 39.524 38.487 -0.035 0.000 1.186 704 N HN -0.063 nan 8.380 nan 0.000 0.492 705 A N 0.577 123.341 122.820 -0.093 0.000 2.313 705 A HA 0.601 4.928 4.320 0.012 0.000 0.261 705 A C 0.466 177.930 177.584 -0.200 0.000 1.090 705 A CA -0.129 51.818 52.037 -0.150 0.000 0.807 705 A CB 0.211 19.147 19.000 -0.107 0.000 1.055 705 A HN 0.714 nan 8.150 nan 0.000 0.492 706 T N -3.574 110.782 114.554 -0.330 0.000 2.669 706 T HA 0.618 4.975 4.350 0.012 0.000 0.283 706 T C 1.095 175.637 174.700 -0.262 0.000 1.019 706 T CA 0.122 62.022 62.100 -0.332 0.000 1.039 706 T CB 0.854 69.331 68.868 -0.652 0.000 1.374 706 T HN 1.419 nan 8.240 nan 0.000 0.523 707 A N 0.139 122.885 122.820 -0.124 0.000 1.940 707 A HA 0.026 4.353 4.320 0.012 0.000 0.219 707 A C 1.770 179.471 177.584 0.194 0.000 1.176 707 A CA 1.675 53.756 52.037 0.074 0.000 0.631 707 A CB -0.993 18.122 19.000 0.192 0.000 0.814 707 A HN 0.941 nan 8.150 nan 0.000 0.446 708 W N -0.639 120.727 121.300 0.110 0.000 3.005 708 W HA 0.458 5.125 4.660 0.013 0.000 0.374 708 W C -0.272 176.227 176.519 -0.035 0.000 1.076 708 W CA 0.457 57.842 57.345 0.066 0.000 1.794 708 W CB -1.064 28.424 29.460 0.047 0.000 1.113 708 W HN 0.470 nan 8.180 nan 0.000 0.584 709 S N -0.220 115.108 115.700 -0.621 0.000 2.547 709 S HA 0.273 4.750 4.470 0.012 0.000 0.270 709 S C -1.100 173.268 174.600 -0.387 0.000 1.150 709 S CA -0.828 57.005 58.200 -0.611 0.000 0.850 709 S CB 2.700 65.139 63.200 -1.269 0.000 1.118 709 S HN 0.212 nan 8.310 nan 0.000 0.461 710 E N 1.497 121.581 120.200 -0.194 0.000 2.343 710 E HA 0.539 4.896 4.350 0.012 0.000 0.269 710 E C 0.415 176.979 176.600 -0.061 0.000 1.047 710 E CA -0.674 55.673 56.400 -0.088 0.000 0.874 710 E CB 1.294 30.984 29.700 -0.017 0.000 1.033 710 E HN 0.950 nan 8.360 nan 0.000 0.409 711 A N 2.478 125.267 122.820 -0.053 0.000 2.555 711 A HA 0.339 4.666 4.320 0.012 0.000 0.233 711 A C 1.217 178.804 177.584 0.005 0.000 1.060 711 A CA 0.856 52.874 52.037 -0.031 0.000 0.759 711 A CB -0.527 18.456 19.000 -0.029 0.000 0.995 711 A HN 1.207 nan 8.150 nan 0.000 0.506 712 G N 0.233 109.044 108.800 0.019 0.000 2.176 712 G HA2 -0.258 3.709 3.960 0.012 0.000 0.253 712 G HA3 -0.258 3.709 3.960 0.012 0.000 0.253 712 G C 0.234 175.172 174.900 0.064 0.000 0.979 712 G CA 0.806 45.920 45.100 0.022 0.000 0.641 712 G HN 1.843 nan 8.290 nan 0.000 0.530 713 H N 0.610 119.679 119.070 -0.002 0.000 2.928 713 H HA 0.460 5.023 4.556 0.012 0.000 0.338 713 H C 0.727 176.123 175.328 0.112 0.000 1.047 713 H CA 0.194 56.268 56.048 0.044 0.000 1.435 713 H CB 0.200 29.966 29.762 0.007 0.000 1.428 713 H HN 0.282 nan 8.280 nan 0.000 0.590 714 I N 4.824 125.173 120.570 -0.369 0.000 2.312 714 I HA 0.037 4.214 4.170 0.012 0.000 0.291 714 I C 0.707 176.712 176.117 -0.187 0.000 1.031 714 I CA 0.032 61.236 61.300 -0.159 0.000 1.293 714 I CB 1.335 39.300 38.000 -0.059 0.000 1.403 714 I HN 0.752 nan 8.210 nan 0.000 0.484 715 S N 4.066 119.863 115.700 0.162 0.000 2.539 715 S HA 0.638 5.115 4.470 0.012 0.000 0.221 715 S C 0.338 175.210 174.600 0.453 0.000 0.987 715 S CA -0.212 58.214 58.200 0.376 0.000 0.929 715 S CB 0.522 64.072 63.200 0.584 0.000 0.832 715 S HN 0.701 nan 8.310 nan 0.000 0.492 716 A N 0.767 123.888 122.820 0.501 0.000 2.599 716 A HA 0.660 4.987 4.320 0.012 0.000 0.294 716 A C -1.758 176.204 177.584 0.630 0.000 1.055 716 A CA -0.918 51.404 52.037 0.474 0.000 0.683 716 A CB 0.370 19.686 19.000 0.528 0.000 1.278 716 A HN 0.937 nan 8.150 nan 0.000 0.412 717 W N 0.246 121.731 121.300 0.307 0.000 3.066 717 W HA 0.799 5.467 4.660 0.013 0.000 0.330 717 W C -1.218 175.365 176.519 0.107 0.000 1.253 717 W CA -0.576 56.854 57.345 0.141 0.000 1.187 717 W CB 1.126 30.634 29.460 0.079 0.000 1.434 717 W HN 1.150 nan 8.180 nan 0.000 0.572 718 Q N 1.101 120.991 119.800 0.150 0.000 2.594 718 Q HA 0.439 4.786 4.340 0.012 0.000 0.278 718 Q C -1.664 174.197 176.000 -0.231 0.000 0.961 718 Q CA -0.435 55.288 55.803 -0.132 0.000 0.844 718 Q CB 2.244 30.746 28.738 -0.392 0.000 1.475 718 Q HN 0.622 nan 8.270 nan 0.000 0.389 719 Q N 1.562 121.143 119.800 -0.364 0.000 2.451 719 Q HA 0.653 5.000 4.340 0.012 0.000 0.281 719 Q C -1.076 174.724 176.000 -0.333 0.000 1.099 719 Q CA -0.759 54.980 55.803 -0.107 0.000 0.806 719 Q CB 2.592 31.476 28.738 0.243 0.000 1.419 719 Q HN 0.608 nan 8.270 nan 0.000 0.427 720 W N 0.503 121.953 121.300 0.250 0.000 3.107 720 W HA 0.434 5.101 4.660 0.011 0.000 0.331 720 W C -0.517 175.971 176.519 -0.051 0.000 1.204 720 W CA -0.697 56.712 57.345 0.107 0.000 1.184 720 W CB 1.875 31.359 29.460 0.039 0.000 1.421 720 W HN 0.410 nan 8.180 nan 0.000 0.544 721 R N 1.843 122.310 120.500 -0.055 0.000 2.234 721 R HA 0.420 4.767 4.340 0.012 0.000 0.324 721 R C 0.515 176.695 176.300 -0.201 0.000 1.054 721 R CA -0.206 55.600 56.100 -0.491 0.000 0.912 721 R CB 0.927 30.854 30.300 -0.621 0.000 1.030 721 R HN 0.262 nan 8.270 nan 0.000 0.455 722 L N 1.573 122.682 121.223 -0.191 0.000 2.977 722 L HA 0.472 4.819 4.340 0.012 0.000 0.175 722 L C 0.847 177.628 176.870 -0.148 0.000 1.360 722 L CA -0.885 53.885 54.840 -0.117 0.000 1.392 722 L CB -0.041 41.979 42.059 -0.064 0.000 2.342 722 L HN 0.582 nan 8.230 nan 0.000 0.524 723 A N 0.135 122.893 122.820 -0.103 0.000 2.466 723 A HA 0.166 4.493 4.320 0.012 0.000 0.238 723 A C -0.230 177.291 177.584 -0.105 0.000 1.074 723 A CA 0.189 52.171 52.037 -0.092 0.000 0.774 723 A CB 0.104 19.067 19.000 -0.060 0.000 1.015 723 A HN 0.650 nan 8.150 nan 0.000 0.498 724 E N 0.513 120.659 120.200 -0.091 0.000 2.222 724 E HA 0.334 4.691 4.350 0.012 0.000 0.267 724 E C -1.374 175.200 176.600 -0.043 0.000 0.884 724 E CA -0.688 55.664 56.400 -0.080 0.000 0.764 724 E CB 0.883 30.526 29.700 -0.095 0.000 1.169 724 E HN 0.641 nan 8.360 nan 0.000 0.413 725 N N 5.025 123.711 118.700 -0.024 0.000 2.851 725 N HA 0.236 4.983 4.740 0.012 0.000 0.248 725 N C -0.645 174.868 175.510 0.004 0.000 1.221 725 N CA -0.275 52.770 53.050 -0.007 0.000 0.847 725 N CB 0.675 39.163 38.487 0.002 0.000 1.150 725 N HN 0.489 nan 8.380 nan 0.000 0.507 726 L N 0.641 121.866 121.223 0.003 0.000 2.640 726 L HA -0.035 4.312 4.340 0.012 0.000 0.280 726 L C 1.310 178.194 176.870 0.023 0.000 1.229 726 L CA 0.435 55.284 54.840 0.015 0.000 0.919 726 L CB -0.009 42.059 42.059 0.014 0.000 1.168 726 L HN 0.262 nan 8.230 nan 0.000 0.496 727 S N 2.272 117.992 115.700 0.034 0.000 2.525 727 S HA 0.167 4.644 4.470 0.012 0.000 0.285 727 S C 0.736 175.355 174.600 0.032 0.000 1.283 727 S CA -0.542 57.679 58.200 0.036 0.000 1.072 727 S CB 0.577 63.805 63.200 0.046 0.000 0.867 727 S HN 0.511 nan 8.310 nan 0.000 0.492 728 V N 2.329 122.259 119.914 0.027 0.000 3.346 728 V HA 0.350 4.477 4.120 0.012 0.000 0.309 728 V C 0.370 176.477 176.094 0.022 0.000 1.457 728 V CA -0.160 62.154 62.300 0.023 0.000 1.069 728 V CB -0.324 31.510 31.823 0.018 0.000 0.944 728 V HN 0.762 nan 8.190 nan 0.000 0.449 729 T N 1.685 116.254 114.554 0.026 0.000 2.845 729 T HA 0.767 5.124 4.350 0.012 0.000 0.288 729 T C -0.494 174.222 174.700 0.026 0.000 0.980 729 T CA -0.383 61.731 62.100 0.024 0.000 1.071 729 T CB 1.923 70.806 68.868 0.025 0.000 0.941 729 T HN 0.193 nan 8.240 nan 0.000 0.487 730 L N 3.749 124.984 121.223 0.021 0.000 2.325 730 L HA 0.556 4.903 4.340 0.012 0.000 0.279 730 L C -1.823 175.058 176.870 0.018 0.000 1.054 730 L CA -1.794 53.057 54.840 0.019 0.000 0.804 730 L CB -0.396 41.670 42.059 0.012 0.000 1.200 730 L HN 0.520 nan 8.230 nan 0.000 0.436 731 P HA 0.410 nan 4.420 nan 0.000 0.284 731 P C -0.887 176.412 177.300 -0.001 0.000 1.253 731 P CA -0.666 62.447 63.100 0.021 0.000 0.800 731 P CB 1.166 32.887 31.700 0.035 0.000 0.961 732 A N 2.887 125.701 122.820 -0.009 0.000 2.537 732 A HA 0.403 4.730 4.320 0.012 0.000 0.260 732 A C 0.948 178.459 177.584 -0.121 0.000 1.082 732 A CA 0.074 52.083 52.037 -0.047 0.000 0.765 732 A CB -0.992 17.989 19.000 -0.031 0.000 1.019 732 A HN 0.803 nan 8.150 nan 0.000 0.507 733 A N 3.869 126.623 122.820 -0.110 0.000 2.617 733 A HA 0.251 4.578 4.320 0.012 0.000 0.232 733 A C 1.072 178.482 177.584 -0.290 0.000 1.027 733 A CA 0.773 52.727 52.037 -0.139 0.000 0.806 733 A CB -0.600 18.344 19.000 -0.094 0.000 0.908 733 A HN 2.022 nan 8.150 nan 0.000 0.484 734 S N 1.725 117.297 115.700 -0.213 0.000 2.525 734 S HA 0.198 4.675 4.470 0.012 0.000 0.285 734 S C 0.197 174.682 174.600 -0.191 0.000 1.283 734 S CA 0.252 58.331 58.200 -0.202 0.000 1.072 734 S CB 0.020 63.197 63.200 -0.038 0.000 0.867 734 S HN 0.737 nan 8.310 nan 0.000 0.492 735 H N 0.929 120.015 119.070 0.027 0.000 2.607 735 H HA 0.647 5.210 4.556 0.012 0.000 0.288 735 H C 0.552 175.899 175.328 0.032 0.000 1.058 735 H CA 0.379 56.443 56.048 0.026 0.000 1.178 735 H CB -0.643 29.134 29.762 0.026 0.000 1.340 735 H HN 0.890 nan 8.280 nan 0.000 0.591 736 A N 0.647 123.545 122.820 0.130 0.000 2.410 736 A HA 0.535 4.862 4.320 0.012 0.000 0.300 736 A C -1.734 175.896 177.584 0.078 0.000 1.077 736 A CA -0.695 51.410 52.037 0.112 0.000 0.610 736 A CB 0.899 19.983 19.000 0.140 0.000 1.371 736 A HN 0.239 nan 8.150 nan 0.000 0.510 737 I N 0.626 121.247 120.570 0.085 0.000 2.571 737 I HA 0.528 4.705 4.170 0.012 0.000 0.286 737 I C -2.959 173.209 176.117 0.085 0.000 1.134 737 I CA -2.014 59.318 61.300 0.053 0.000 1.052 737 I CB 2.180 40.186 38.000 0.010 0.000 1.237 737 I HN 0.421 nan 8.210 nan 0.000 0.435 738 P HA 0.097 nan 4.420 nan 0.000 0.266 738 P C -1.059 176.312 177.300 0.120 0.000 1.193 738 P CA 0.542 63.702 63.100 0.100 0.000 0.770 738 P CB 0.270 31.976 31.700 0.011 0.000 0.836 739 H N 0.968 120.058 119.070 0.033 0.000 2.457 739 H HA 0.379 4.942 4.556 0.012 0.000 0.335 739 H C -0.446 174.899 175.328 0.029 0.000 1.115 739 H CA -0.870 55.190 56.048 0.021 0.000 1.219 739 H CB 1.842 31.619 29.762 0.026 0.000 1.471 739 H HN 0.245 nan 8.280 nan 0.000 0.491 740 L N 2.852 124.138 121.223 0.105 0.000 2.307 740 L HA 0.332 4.679 4.340 0.012 0.000 0.284 740 L C -0.483 176.444 176.870 0.095 0.000 1.023 740 L CA -0.080 54.801 54.840 0.069 0.000 0.810 740 L CB 1.610 43.654 42.059 -0.025 0.000 1.231 740 L HN 0.501 nan 8.230 nan 0.000 0.423 741 T N 3.463 118.092 114.554 0.125 0.000 2.841 741 T HA 0.671 5.028 4.350 0.012 0.000 0.283 741 T C -0.426 174.372 174.700 0.162 0.000 1.000 741 T CA -0.369 61.802 62.100 0.118 0.000 0.977 741 T CB 1.547 70.470 68.868 0.092 0.000 0.979 741 T HN 0.714 nan 8.240 nan 0.000 0.446 742 T N 2.025 116.670 114.554 0.152 0.000 2.930 742 T HA 0.866 5.223 4.350 0.012 0.000 0.290 742 T C -0.480 174.283 174.700 0.104 0.000 1.052 742 T CA -0.721 61.502 62.100 0.205 0.000 1.017 742 T CB 1.630 70.641 68.868 0.238 0.000 1.137 742 T HN 0.798 nan 8.240 nan 0.000 0.511 743 S N -0.534 115.196 115.700 0.051 0.000 2.672 743 S HA 0.420 4.897 4.470 0.012 0.000 0.271 743 S C 0.647 175.215 174.600 -0.054 0.000 1.171 743 S CA -0.825 57.378 58.200 0.005 0.000 0.817 743 S CB 1.470 64.673 63.200 0.006 0.000 1.150 743 S HN 0.702 nan 8.310 nan 0.000 0.478 744 E N -0.612 119.559 120.200 -0.048 0.000 2.118 744 E HA -0.128 4.229 4.350 0.012 0.000 0.195 744 E C 1.110 177.640 176.600 -0.117 0.000 0.992 744 E CA 1.270 57.625 56.400 -0.075 0.000 0.804 744 E CB -0.103 29.569 29.700 -0.046 0.000 0.741 744 E HN 0.518 nan 8.360 nan 0.000 0.458 745 M N 0.455 120.001 119.600 -0.090 0.000 2.486 745 M HA 0.110 4.597 4.480 0.012 0.000 0.264 745 M C -0.068 176.160 176.300 -0.120 0.000 1.125 745 M CA 0.851 56.100 55.300 -0.086 0.000 1.144 745 M CB 0.139 32.720 32.600 -0.031 0.000 1.353 745 M HN -0.074 nan 8.290 nan 0.000 0.466 746 D N -1.728 118.600 120.400 -0.119 0.000 2.579 746 D HA 0.360 5.007 4.640 0.012 0.000 0.257 746 D C -1.313 174.944 176.300 -0.071 0.000 1.176 746 D CA -0.409 53.536 54.000 -0.092 0.000 0.914 746 D CB 1.762 42.603 40.800 0.069 0.000 1.431 746 D HN -0.045 nan 8.370 nan 0.000 0.454 747 F N 0.920 120.946 119.950 0.126 0.000 2.403 747 F HA 0.333 4.867 4.527 0.012 0.000 0.355 747 F C -0.085 175.828 175.800 0.189 0.000 1.119 747 F CA -0.799 57.266 58.000 0.109 0.000 1.007 747 F CB 1.254 40.280 39.000 0.042 0.000 1.194 747 F HN 0.067 nan 8.300 nan 0.000 0.443 748 C N 5.142 124.640 119.300 0.331 0.000 2.322 748 C HA 0.669 5.136 4.460 0.012 0.000 0.324 748 C C -0.002 175.147 174.990 0.264 0.000 1.284 748 C CA -0.936 58.255 59.018 0.289 0.000 1.606 748 C CB 0.169 28.010 27.740 0.169 0.000 2.251 748 C HN 0.536 nan 8.230 nan 0.000 0.502 749 I N 2.430 123.213 120.570 0.356 0.000 2.460 749 I HA 0.504 4.681 4.170 0.012 0.000 0.298 749 I C 0.121 176.481 176.117 0.405 0.000 0.989 749 I CA 0.025 61.518 61.300 0.322 0.000 1.173 749 I CB 1.075 39.231 38.000 0.260 0.000 1.338 749 I HN 0.674 nan 8.210 nan 0.000 0.456 750 E N 5.548 125.927 120.200 0.298 0.000 2.272 750 E HA 0.730 5.087 4.350 0.012 0.000 0.269 750 E C -1.777 174.990 176.600 0.278 0.000 0.877 750 E CA -0.793 55.769 56.400 0.269 0.000 0.755 750 E CB 2.188 31.939 29.700 0.086 0.000 1.192 750 E HN 0.565 nan 8.360 nan 0.000 0.422 751 L N 4.944 126.353 121.223 0.310 0.000 2.680 751 L HA 0.469 4.816 4.340 0.012 0.000 0.260 751 L C 0.098 177.063 176.870 0.158 0.000 0.975 751 L CA 0.535 55.530 54.840 0.259 0.000 0.920 751 L CB 1.000 43.246 42.059 0.313 0.000 1.234 751 L HN 0.846 nan 8.230 nan 0.000 0.429 752 G N 4.012 112.856 108.800 0.073 0.000 2.583 752 G HA2 -0.440 3.527 3.960 0.012 0.000 0.292 752 G HA3 -0.440 3.527 3.960 0.012 0.000 0.292 752 G C 0.629 175.520 174.900 -0.014 0.000 1.203 752 G CA 0.655 45.768 45.100 0.022 0.000 0.987 752 G HN 1.104 nan 8.290 nan 0.000 0.554 753 N N 1.333 120.017 118.700 -0.027 0.000 2.512 753 N HA 0.013 4.760 4.740 0.012 0.000 0.183 753 N C 0.652 176.112 175.510 -0.083 0.000 1.073 753 N CA 1.425 54.443 53.050 -0.054 0.000 0.911 753 N CB -0.045 38.411 38.487 -0.051 0.000 0.964 753 N HN 0.769 nan 8.380 nan 0.000 0.447 754 K N 0.630 120.979 120.400 -0.084 0.000 2.172 754 K HA 0.419 4.746 4.320 0.012 0.000 0.276 754 K C -0.309 176.146 176.600 -0.241 0.000 1.013 754 K CA -0.404 55.736 56.287 -0.246 0.000 0.913 754 K CB 1.386 33.717 32.500 -0.283 0.000 1.055 754 K HN 0.080 nan 8.250 nan 0.000 0.461 755 R N 1.666 121.920 120.500 -0.410 0.000 2.626 755 R HA 0.412 4.759 4.340 0.012 0.000 0.274 755 R C -1.225 175.005 176.300 -0.117 0.000 1.031 755 R CA -0.793 55.247 56.100 -0.100 0.000 0.898 755 R CB 1.907 32.177 30.300 -0.049 0.000 1.222 755 R HN 0.564 nan 8.270 nan 0.000 0.455 756 W N 2.134 123.573 121.300 0.231 0.000 2.785 756 W HA 0.396 5.063 4.660 0.012 0.000 0.333 756 W C -0.551 176.120 176.519 0.253 0.000 1.062 756 W CA -0.624 56.825 57.345 0.174 0.000 1.233 756 W CB 2.370 31.922 29.460 0.153 0.000 1.413 756 W HN 0.400 nan 8.180 nan 0.000 0.489 757 Q N 2.308 122.329 119.800 0.368 0.000 2.340 757 Q HA 0.492 4.839 4.340 0.012 0.000 0.268 757 Q C -1.942 174.108 176.000 0.084 0.000 1.031 757 Q CA -0.498 55.505 55.803 0.333 0.000 0.804 757 Q CB 1.637 30.617 28.738 0.402 0.000 1.286 757 Q HN 0.347 nan 8.270 nan 0.000 0.448 758 F N 2.516 122.570 119.950 0.173 0.000 2.449 758 F HA 0.327 4.861 4.527 0.012 0.000 0.342 758 F C 0.392 176.229 175.800 0.063 0.000 1.127 758 F CA -0.943 57.121 58.000 0.107 0.000 0.975 758 F CB 1.492 40.556 39.000 0.107 0.000 1.146 758 F HN 0.493 nan 8.300 nan 0.000 0.444 759 N N 3.635 122.444 118.700 0.181 0.000 2.431 759 N HA 0.059 4.806 4.740 0.012 0.000 0.265 759 N C 0.984 176.505 175.510 0.020 0.000 1.184 759 N CA 0.157 53.261 53.050 0.090 0.000 0.943 759 N CB 0.727 39.271 38.487 0.096 0.000 1.080 759 N HN 0.688 nan 8.380 nan 0.000 0.477 760 R N 2.342 122.780 120.500 -0.102 0.000 2.236 760 R HA -0.079 4.268 4.340 0.012 0.000 0.208 760 R C 1.548 177.774 176.300 -0.123 0.000 1.036 760 R CA 0.648 56.626 56.100 -0.204 0.000 1.001 760 R CB 0.193 30.260 30.300 -0.389 0.000 0.896 760 R HN 0.679 nan 8.270 nan 0.000 0.464 761 Q N 0.483 120.244 119.800 -0.065 0.000 2.302 761 Q HA -0.046 4.301 4.340 0.012 0.000 0.202 761 Q C 1.702 177.690 176.000 -0.021 0.000 0.936 761 Q CA 1.291 57.069 55.803 -0.042 0.000 0.886 761 Q CB 0.399 29.129 28.738 -0.014 0.000 0.986 761 Q HN 0.284 nan 8.270 nan 0.000 0.487 762 S N -2.072 113.636 115.700 0.013 0.000 2.468 762 S HA 0.250 4.727 4.470 0.012 0.000 0.226 762 S C 1.403 175.941 174.600 -0.102 0.000 1.051 762 S CA 0.622 58.855 58.200 0.055 0.000 0.943 762 S CB 0.645 63.980 63.200 0.224 0.000 0.810 762 S HN 0.548 nan 8.310 nan 0.000 0.509 763 G N 0.506 109.249 108.800 -0.094 0.000 2.141 763 G HA2 -0.184 3.783 3.960 0.012 0.000 0.242 763 G HA3 -0.184 3.783 3.960 0.012 0.000 0.242 763 G C -0.104 174.707 174.900 -0.148 0.000 0.982 763 G CA 0.134 45.144 45.100 -0.151 0.000 0.662 763 G HN 0.523 nan 8.290 nan 0.000 0.527 764 F N -1.139 118.973 119.950 0.270 0.000 2.575 764 F HA 0.706 5.240 4.527 0.012 0.000 0.330 764 F C 0.460 176.267 175.800 0.012 0.000 1.056 764 F CA -1.524 56.589 58.000 0.188 0.000 0.964 764 F CB 1.401 40.471 39.000 0.116 0.000 1.258 764 F HN 0.019 nan 8.300 nan 0.000 0.484 765 L N 1.764 123.000 121.223 0.021 0.000 2.433 765 L HA 0.186 4.533 4.340 0.012 0.000 0.275 765 L C 0.891 177.644 176.870 -0.195 0.000 1.128 765 L CA 0.490 54.996 54.840 -0.556 0.000 0.875 765 L CB 0.558 42.239 42.059 -0.631 0.000 1.171 765 L HN 0.699 nan 8.230 nan 0.000 0.463 766 S N 2.804 118.393 115.700 -0.184 0.000 2.502 766 S HA 0.294 4.771 4.470 0.012 0.000 0.215 766 S C 0.504 174.998 174.600 -0.176 0.000 1.009 766 S CA 0.028 58.173 58.200 -0.092 0.000 0.908 766 S CB 0.146 63.351 63.200 0.008 0.000 0.801 766 S HN 0.706 nan 8.310 nan 0.000 0.505 767 Q N -0.236 119.409 119.800 -0.258 0.000 2.578 767 Q HA 0.667 5.014 4.340 0.012 0.000 0.284 767 Q C -2.030 173.653 176.000 -0.528 0.000 0.960 767 Q CA -0.349 55.164 55.803 -0.484 0.000 0.809 767 Q CB 1.605 29.934 28.738 -0.681 0.000 1.462 767 Q HN 0.430 nan 8.270 nan 0.000 0.392 768 M N 1.448 120.594 119.600 -0.757 0.000 2.421 768 M HA 0.549 5.036 4.480 0.012 0.000 0.287 768 M C -1.651 174.238 176.300 -0.685 0.000 1.183 768 M CA -0.405 54.547 55.300 -0.579 0.000 0.916 768 M CB 2.119 34.370 32.600 -0.581 0.000 1.701 768 M HN 0.560 nan 8.290 nan 0.000 0.470 769 W N 3.572 124.651 121.300 -0.367 0.000 2.844 769 W HA 0.631 5.298 4.660 0.012 0.000 0.340 769 W C -1.168 175.152 176.519 -0.332 0.000 1.093 769 W CA -0.670 56.512 57.345 -0.272 0.000 1.212 769 W CB 1.665 31.002 29.460 -0.205 0.000 1.422 769 W HN 0.467 nan 8.180 nan 0.000 0.515 770 I N 3.083 123.638 120.570 -0.025 0.000 2.495 770 I HA 0.372 4.549 4.170 0.012 0.000 0.277 770 I C 0.768 176.868 176.117 -0.029 0.000 1.045 770 I CA 0.073 61.318 61.300 -0.092 0.000 1.135 770 I CB 0.923 38.841 38.000 -0.137 0.000 1.241 770 I HN 0.753 nan 8.210 nan 0.000 0.469 771 G N 5.772 114.557 108.800 -0.025 0.000 2.536 771 G HA2 -0.329 3.638 3.960 0.012 0.000 0.277 771 G HA3 -0.329 3.638 3.960 0.012 0.000 0.277 771 G C 0.132 175.054 174.900 0.036 0.000 1.155 771 G CA 0.729 45.819 45.100 -0.016 0.000 0.960 771 G HN 0.648 nan 8.290 nan 0.000 0.544 772 D N 1.244 121.676 120.400 0.053 0.000 2.379 772 D HA 0.361 5.008 4.640 0.012 0.000 0.208 772 D C 0.501 176.915 176.300 0.190 0.000 1.065 772 D CA 0.339 54.409 54.000 0.116 0.000 0.848 772 D CB 0.317 41.145 40.800 0.047 0.000 0.949 772 D HN 0.384 nan 8.370 nan 0.000 0.509 773 K N 1.356 121.813 120.400 0.094 0.000 2.258 773 K HA 0.268 4.595 4.320 0.012 0.000 0.284 773 K C 0.055 176.613 176.600 -0.070 0.000 1.051 773 K CA -0.293 56.004 56.287 0.017 0.000 0.923 773 K CB 1.186 33.665 32.500 -0.036 0.000 1.046 773 K HN -0.091 nan 8.250 nan 0.000 0.474 774 K N 2.131 122.413 120.400 -0.197 0.000 2.270 774 K HA 0.052 4.379 4.320 0.012 0.000 0.276 774 K C 0.589 176.985 176.600 -0.340 0.000 1.023 774 K CA -0.234 55.734 56.287 -0.532 0.000 0.955 774 K CB 0.762 33.003 32.500 -0.433 0.000 0.975 774 K HN 0.467 nan 8.250 nan 0.000 0.471 775 Q N 1.382 120.949 119.800 -0.389 0.000 2.317 775 Q HA 0.214 4.561 4.340 0.012 0.000 0.220 775 Q C 0.014 175.936 176.000 -0.130 0.000 0.873 775 Q CA 0.363 56.075 55.803 -0.151 0.000 0.936 775 Q CB 0.607 29.312 28.738 -0.056 0.000 1.105 775 Q HN 0.483 nan 8.270 nan 0.000 0.520 776 L N 0.443 121.523 121.223 -0.239 0.000 2.362 776 L HA 0.408 4.755 4.340 0.012 0.000 0.271 776 L C 0.796 177.541 176.870 -0.208 0.000 1.002 776 L CA -0.387 54.333 54.840 -0.201 0.000 0.818 776 L CB 1.877 43.805 42.059 -0.218 0.000 1.298 776 L HN -0.078 nan 8.230 nan 0.000 0.420 777 L N 0.627 121.722 121.223 -0.214 0.000 2.575 777 L HA 0.173 4.520 4.340 0.012 0.000 0.228 777 L C 0.591 177.359 176.870 -0.170 0.000 1.075 777 L CA 0.457 55.184 54.840 -0.190 0.000 0.867 777 L CB 0.713 42.646 42.059 -0.210 0.000 1.097 777 L HN 0.757 nan 8.230 nan 0.000 0.485 778 T N -2.525 111.903 114.554 -0.210 0.000 2.933 778 T HA 0.507 4.864 4.350 0.012 0.000 0.305 778 T C -2.940 171.682 174.700 -0.130 0.000 1.092 778 T CA -2.014 60.001 62.100 -0.142 0.000 1.008 778 T CB 2.442 71.250 68.868 -0.101 0.000 1.102 778 T HN -0.304 nan 8.240 nan 0.000 0.469 779 P HA 0.231 nan 4.420 nan 0.000 0.269 779 P C -0.410 176.835 177.300 -0.091 0.000 1.215 779 P CA -0.697 62.362 63.100 -0.070 0.000 0.780 779 P CB 0.350 32.042 31.700 -0.012 0.000 0.898 780 L N 3.751 124.945 121.223 -0.049 0.000 2.385 780 L HA 0.177 4.524 4.340 0.012 0.000 0.281 780 L C 0.464 177.226 176.870 -0.181 0.000 1.106 780 L CA 0.684 55.515 54.840 -0.016 0.000 0.856 780 L CB -0.685 41.465 42.059 0.152 0.000 1.186 780 L HN 0.310 nan 8.230 nan 0.000 0.453 781 R N 2.766 123.070 120.500 -0.328 0.000 2.837 781 R HA 0.460 4.807 4.340 0.012 0.000 0.271 781 R C -0.964 175.146 176.300 -0.317 0.000 0.993 781 R CA -1.157 54.533 56.100 -0.683 0.000 0.931 781 R CB 1.175 30.990 30.300 -0.809 0.000 1.206 781 R HN 0.503 nan 8.270 nan 0.000 0.474 782 D N 1.281 121.560 120.400 -0.202 0.000 2.400 782 D HA 0.029 4.676 4.640 0.012 0.000 0.238 782 D C -0.305 175.645 176.300 -0.583 0.000 1.157 782 D CA 0.392 54.181 54.000 -0.351 0.000 0.889 782 D CB 0.625 41.182 40.800 -0.405 0.000 1.199 782 D HN 0.248 nan 8.370 nan 0.000 0.436 783 Q N 1.055 120.316 119.800 -0.899 0.000 2.271 783 Q HA 0.329 4.676 4.340 0.012 0.000 0.268 783 Q C -1.449 173.871 176.000 -1.134 0.000 1.021 783 Q CA -0.619 54.718 55.803 -0.778 0.000 0.802 783 Q CB 0.772 29.257 28.738 -0.421 0.000 1.282 783 Q HN 0.545 nan 8.270 nan 0.000 0.431 784 F N 1.255 120.825 119.950 -0.634 0.000 2.683 784 F HA 0.232 4.766 4.527 0.012 0.000 0.306 784 F C 0.381 175.769 175.800 -0.687 0.000 1.102 784 F CA -0.134 57.395 58.000 -0.785 0.000 1.244 784 F CB 1.569 39.774 39.000 -1.325 0.000 1.029 784 F HN 0.486 nan 8.300 nan 0.000 0.545 785 T N -1.162 113.108 114.554 -0.473 0.000 2.865 785 T HA 0.771 5.128 4.350 0.012 0.000 0.294 785 T C -0.727 173.757 174.700 -0.361 0.000 1.119 785 T CA -1.006 60.763 62.100 -0.551 0.000 1.007 785 T CB 2.963 71.428 68.868 -0.672 0.000 1.225 785 T HN 0.261 nan 8.240 nan 0.000 0.515 786 R N 0.002 120.339 120.500 -0.273 0.000 2.808 786 R HA 0.782 5.129 4.340 0.012 0.000 0.272 786 R C -1.011 175.363 176.300 0.124 0.000 0.995 786 R CA -1.192 54.867 56.100 -0.068 0.000 0.917 786 R CB 1.604 31.863 30.300 -0.069 0.000 1.217 786 R HN 0.854 nan 8.270 nan 0.000 0.471 787 A N 3.500 126.372 122.820 0.087 0.000 2.438 787 A HA 0.326 4.653 4.320 0.012 0.000 0.280 787 A C -2.033 175.634 177.584 0.138 0.000 1.160 787 A CA -1.594 50.497 52.037 0.090 0.000 0.821 787 A CB -0.409 18.581 19.000 -0.016 0.000 1.101 787 A HN 0.574 nan 8.150 nan 0.000 0.515 788 P HA -0.049 nan 4.420 nan 0.000 0.261 788 P C -0.212 177.226 177.300 0.229 0.000 1.158 788 P CA 0.676 63.957 63.100 0.302 0.000 0.758 788 P CB 0.243 32.120 31.700 0.296 0.000 0.763 789 L N 2.783 124.107 121.223 0.167 0.000 2.456 789 L HA 0.139 4.486 4.340 0.012 0.000 0.257 789 L C 1.889 178.776 176.870 0.029 0.000 1.162 789 L CA -0.384 54.491 54.840 0.058 0.000 0.808 789 L CB 0.094 42.126 42.059 -0.046 0.000 1.136 789 L HN 0.336 nan 8.230 nan 0.000 0.466 790 D N 0.537 120.879 120.400 -0.097 0.000 2.133 790 D HA -0.179 4.468 4.640 0.012 0.000 0.195 790 D C 1.533 177.759 176.300 -0.123 0.000 0.997 790 D CA 1.518 55.373 54.000 -0.243 0.000 0.840 790 D CB 0.100 40.684 40.800 -0.360 0.000 0.947 790 D HN 0.479 nan 8.370 nan 0.000 0.452 791 N N 0.964 119.619 118.700 -0.075 0.000 2.381 791 N HA -0.105 4.642 4.740 0.012 0.000 0.182 791 N C 1.206 176.739 175.510 0.037 0.000 1.025 791 N CA 0.653 53.694 53.050 -0.015 0.000 0.888 791 N CB -0.150 38.320 38.487 -0.028 0.000 0.965 791 N HN 0.253 nan 8.380 nan 0.000 0.438 792 D N 0.439 120.870 120.400 0.052 0.000 2.149 792 D HA 0.051 4.698 4.640 0.012 0.000 0.201 792 D C 1.980 178.319 176.300 0.065 0.000 0.972 792 D CA 0.462 54.520 54.000 0.097 0.000 0.835 792 D CB 0.079 41.007 40.800 0.214 0.000 0.966 792 D HN 0.286 nan 8.370 nan 0.000 0.476 793 I N 0.340 120.938 120.570 0.047 0.000 2.584 793 I HA 0.033 4.210 4.170 0.012 0.000 0.255 793 I C 1.761 177.902 176.117 0.039 0.000 1.145 793 I CA 0.465 61.781 61.300 0.027 0.000 1.462 793 I CB -0.362 37.623 38.000 -0.024 0.000 1.102 793 I HN 0.029 nan 8.210 nan 0.000 0.433 794 G N 1.523 110.368 108.800 0.074 0.000 2.594 794 G HA2 -0.383 3.584 3.960 0.012 0.000 0.297 794 G HA3 -0.383 3.584 3.960 0.012 0.000 0.297 794 G C 0.830 175.867 174.900 0.229 0.000 1.273 794 G CA 0.956 46.157 45.100 0.168 0.000 0.974 794 G HN 0.509 nan 8.290 nan 0.000 0.552 795 V N -1.415 118.584 119.914 0.143 0.000 3.623 795 V HA 0.517 4.644 4.120 0.012 0.000 0.271 795 V C 1.445 177.550 176.094 0.019 0.000 1.248 795 V CA 1.539 63.869 62.300 0.050 0.000 1.156 795 V CB -0.211 31.548 31.823 -0.106 0.000 0.870 795 V HN 1.313 nan 8.190 nan 0.000 0.453 796 S N 1.084 116.798 115.700 0.022 0.000 2.558 796 S HA 0.154 4.631 4.470 0.012 0.000 0.293 796 S C 0.004 174.610 174.600 0.009 0.000 1.292 796 S CA 0.297 58.498 58.200 0.001 0.000 1.063 796 S CB -0.029 63.167 63.200 -0.007 0.000 0.831 796 S HN 0.853 nan 8.310 nan 0.000 0.499 797 E N 1.494 121.694 120.200 -0.001 0.000 2.343 797 E HA 0.562 4.919 4.350 0.012 0.000 0.270 797 E C 0.584 177.189 176.600 0.008 0.000 0.895 797 E CA -0.453 55.952 56.400 0.007 0.000 0.767 797 E CB 1.484 31.181 29.700 -0.004 0.000 1.248 797 E HN 0.613 nan 8.360 nan 0.000 0.440 798 A N 1.194 124.025 122.820 0.019 0.000 1.986 798 A HA -0.227 4.100 4.320 0.012 0.000 0.220 798 A C 2.021 179.612 177.584 0.011 0.000 1.171 798 A CA 2.666 54.715 52.037 0.019 0.000 0.640 798 A CB -0.837 18.180 19.000 0.030 0.000 0.811 798 A HN 0.693 nan 8.150 nan 0.000 0.451 799 T N -2.592 111.966 114.554 0.006 0.000 2.866 799 T HA 0.063 4.420 4.350 0.012 0.000 0.250 799 T C 1.098 175.791 174.700 -0.012 0.000 1.033 799 T CA 0.647 62.747 62.100 -0.001 0.000 1.145 799 T CB -0.076 68.790 68.868 -0.003 0.000 0.866 799 T HN 0.311 nan 8.240 nan 0.000 0.434 800 R N 1.277 121.766 120.500 -0.018 0.000 2.287 800 R HA 0.428 4.775 4.340 0.012 0.000 0.316 800 R C -0.916 175.368 176.300 -0.026 0.000 1.050 800 R CA -0.619 55.463 56.100 -0.030 0.000 0.983 800 R CB 0.497 30.769 30.300 -0.047 0.000 1.140 800 R HN 0.372 nan 8.270 nan 0.000 0.528 801 I N 2.826 123.381 120.570 -0.024 0.000 2.396 801 I HA 0.019 4.196 4.170 0.012 0.000 0.289 801 I C 0.177 176.272 176.117 -0.037 0.000 1.056 801 I CA -0.199 61.087 61.300 -0.024 0.000 1.365 801 I CB 1.130 39.120 38.000 -0.017 0.000 1.407 801 I HN 0.491 nan 8.210 nan 0.000 0.509 802 D N 10.176 130.551 120.400 -0.041 0.000 2.479 802 D HA 0.253 4.900 4.640 0.012 0.000 0.218 802 D C -1.526 174.728 176.300 -0.076 0.000 1.131 802 D CA -2.228 51.739 54.000 -0.055 0.000 0.916 802 D CB 1.319 42.089 40.800 -0.050 0.000 1.022 802 D HN 0.202 nan 8.370 nan 0.000 0.515 803 P HA -0.143 nan 4.420 nan 0.000 0.221 803 P C 0.880 178.089 177.300 -0.153 0.000 1.145 803 P CA 0.764 63.805 63.100 -0.099 0.000 0.795 803 P CB 0.361 32.012 31.700 -0.081 0.000 0.775 804 N N -0.249 118.353 118.700 -0.163 0.000 2.446 804 N HA 0.060 4.807 4.740 0.012 0.000 0.179 804 N C 0.403 175.715 175.510 -0.330 0.000 1.054 804 N CA 0.076 52.980 53.050 -0.242 0.000 0.905 804 N CB -0.496 37.872 38.487 -0.199 0.000 0.973 804 N HN -0.031 nan 8.380 nan 0.000 0.448 805 A N -0.317 122.364 122.820 -0.232 0.000 2.540 805 A HA 0.019 4.346 4.320 0.012 0.000 0.239 805 A C 0.727 178.116 177.584 -0.325 0.000 1.061 805 A CA -0.259 51.645 52.037 -0.220 0.000 0.758 805 A CB -0.253 18.685 19.000 -0.104 0.000 0.991 805 A HN 0.532 nan 8.150 nan 0.000 0.502 806 W N 1.901 122.950 121.300 -0.420 0.000 2.290 806 W HA -0.253 4.414 4.660 0.011 0.000 0.323 806 W C 2.254 178.155 176.519 -1.031 0.000 1.260 806 W CA 1.906 58.734 57.345 -0.862 0.000 1.266 806 W CB -0.555 28.287 29.460 -1.029 0.000 1.149 806 W HN 0.570 nan 8.180 nan 0.000 0.482 807 V N 0.913 120.659 119.914 -0.280 0.000 2.324 807 V HA -0.300 3.827 4.120 0.012 0.000 0.250 807 V C 2.196 178.339 176.094 0.083 0.000 1.060 807 V CA 2.302 64.642 62.300 0.066 0.000 1.042 807 V CB -0.421 31.488 31.823 0.143 0.000 0.650 807 V HN 0.131 nan 8.190 nan 0.000 0.450 808 E N -0.258 119.911 120.200 -0.053 0.000 2.107 808 E HA -0.159 4.198 4.350 0.012 0.000 0.191 808 E C 2.352 178.909 176.600 -0.072 0.000 0.982 808 E CA 1.007 57.381 56.400 -0.044 0.000 0.809 808 E CB -0.342 29.318 29.700 -0.066 0.000 0.756 808 E HN 0.614 nan 8.360 nan 0.000 0.459 809 R N -0.036 120.345 120.500 -0.199 0.000 2.066 809 R HA -0.097 4.250 4.340 0.012 0.000 0.232 809 R C 2.300 178.528 176.300 -0.120 0.000 1.131 809 R CA 1.279 57.234 56.100 -0.242 0.000 0.955 809 R CB -0.185 29.836 30.300 -0.464 0.000 0.851 809 R HN 0.283 nan 8.270 nan 0.000 0.432 810 W N 1.359 122.652 121.300 -0.013 0.000 2.388 810 W HA -0.023 4.645 4.660 0.012 0.000 0.294 810 W C 1.885 178.401 176.519 -0.005 0.000 1.212 810 W CA 0.383 57.624 57.345 -0.172 0.000 1.271 810 W CB -0.609 28.829 29.460 -0.036 0.000 1.126 810 W HN 0.124 nan 8.180 nan 0.000 0.535 811 K N 0.582 121.196 120.400 0.356 0.000 1.985 811 K HA -0.110 4.217 4.320 0.012 0.000 0.210 811 K C 2.339 179.012 176.600 0.122 0.000 1.047 811 K CA 1.985 58.450 56.287 0.297 0.000 0.932 811 K CB -0.664 31.949 32.500 0.188 0.000 0.716 811 K HN -0.038 nan 8.250 nan 0.000 0.439 812 A N 1.111 123.966 122.820 0.058 0.000 2.024 812 A HA -0.124 4.203 4.320 0.012 0.000 0.220 812 A C 2.166 179.740 177.584 -0.016 0.000 1.164 812 A CA 1.867 53.915 52.037 0.018 0.000 0.643 812 A CB -0.578 18.422 19.000 -0.001 0.000 0.806 812 A HN 0.377 nan 8.150 nan 0.000 0.451 813 A N -1.953 120.842 122.820 -0.042 0.000 2.208 813 A HA 0.405 4.732 4.320 0.012 0.000 0.209 813 A C 1.779 179.285 177.584 -0.130 0.000 1.161 813 A CA 1.209 53.226 52.037 -0.033 0.000 0.782 813 A CB -0.826 18.144 19.000 -0.050 0.000 0.816 813 A HN 1.889 nan 8.150 nan 0.000 0.477 814 G N -1.487 107.153 108.800 -0.267 0.000 2.132 814 G HA2 -0.287 3.680 3.960 0.012 0.000 0.234 814 G HA3 -0.287 3.680 3.960 0.012 0.000 0.234 814 G C 0.545 175.438 174.900 -0.012 0.000 0.989 814 G CA 0.613 45.350 45.100 -0.606 0.000 0.676 814 G HN 0.750 nan 8.290 nan 0.000 0.522 815 H N -1.434 117.621 119.070 -0.024 0.000 2.387 815 H HA -0.091 4.472 4.556 0.012 0.000 0.299 815 H C 2.190 177.477 175.328 -0.069 0.000 1.090 815 H CA 1.567 57.604 56.048 -0.018 0.000 1.332 815 H CB 0.061 29.781 29.762 -0.070 0.000 1.386 815 H HN 0.588 nan 8.280 nan 0.000 0.516 816 Y N 1.200 121.633 120.300 0.221 0.000 2.509 816 Y HA -0.110 4.447 4.550 0.012 0.000 0.293 816 Y C 2.094 178.093 175.900 0.164 0.000 1.133 816 Y CA 0.586 58.784 58.100 0.162 0.000 1.283 816 Y CB 0.319 38.857 38.460 0.131 0.000 1.001 816 Y HN 0.374 nan 8.280 nan 0.000 0.555 817 Q N -0.367 119.610 119.800 0.295 0.000 2.171 817 Q HA 0.389 4.736 4.340 0.012 0.000 0.218 817 Q C 0.490 176.686 176.000 0.328 0.000 0.822 817 Q CA 0.030 56.007 55.803 0.289 0.000 0.987 817 Q CB 0.070 28.971 28.738 0.272 0.000 1.144 817 Q HN 0.191 nan 8.270 nan 0.000 0.494 818 A N 1.764 124.797 122.820 0.354 0.000 2.531 818 A HA 0.129 4.456 4.320 0.012 0.000 0.236 818 A C -0.115 177.736 177.584 0.445 0.000 1.062 818 A CA 0.275 52.572 52.037 0.434 0.000 0.760 818 A CB 0.241 19.548 19.000 0.512 0.000 0.995 818 A HN 0.285 nan 8.150 nan 0.000 0.501 819 E N 0.787 121.166 120.200 0.298 0.000 2.187 819 E HA 0.481 4.838 4.350 0.012 0.000 0.268 819 E C -0.223 176.328 176.600 -0.081 0.000 0.896 819 E CA -0.610 55.893 56.400 0.172 0.000 0.766 819 E CB 1.982 31.759 29.700 0.128 0.000 1.142 819 E HN 0.818 nan 8.360 nan 0.000 0.408 820 A N 2.206 124.858 122.820 -0.281 0.000 2.462 820 A HA 0.500 4.827 4.320 0.012 0.000 0.243 820 A C -0.201 177.234 177.584 -0.248 0.000 1.076 820 A CA 0.008 51.609 52.037 -0.726 0.000 0.773 820 A CB 0.411 19.037 19.000 -0.625 0.000 1.010 820 A HN 0.592 nan 8.150 nan 0.000 0.493 821 A N 2.003 124.674 122.820 -0.249 0.000 2.343 821 A HA 0.598 4.925 4.320 0.012 0.000 0.316 821 A C -0.559 176.928 177.584 -0.162 0.000 1.104 821 A CA -0.551 51.412 52.037 -0.124 0.000 0.768 821 A CB 0.745 19.690 19.000 -0.092 0.000 1.213 821 A HN 1.271 nan 8.150 nan 0.000 0.456 822 L N 2.561 123.668 121.223 -0.194 0.000 2.397 822 L HA 0.445 4.792 4.340 0.012 0.000 0.271 822 L C 0.371 177.094 176.870 -0.245 0.000 1.148 822 L CA 0.255 54.868 54.840 -0.379 0.000 0.825 822 L CB 0.587 42.425 42.059 -0.368 0.000 1.117 822 L HN 0.754 nan 8.230 nan 0.000 0.456 823 L N 2.732 123.798 121.223 -0.261 0.000 2.685 823 L HA 0.379 4.726 4.340 0.012 0.000 0.235 823 L C 0.219 177.019 176.870 -0.116 0.000 1.070 823 L CA -0.065 54.695 54.840 -0.133 0.000 0.888 823 L CB 0.080 42.095 42.059 -0.073 0.000 1.203 823 L HN 0.715 nan 8.230 nan 0.000 0.499 824 Q N -0.077 119.626 119.800 -0.162 0.000 2.545 824 Q HA 0.287 4.634 4.340 0.012 0.000 0.273 824 Q C -2.208 173.740 176.000 -0.088 0.000 0.975 824 Q CA -0.480 55.271 55.803 -0.087 0.000 0.876 824 Q CB 2.993 31.710 28.738 -0.034 0.000 1.472 824 Q HN 0.049 nan 8.270 nan 0.000 0.389 825 C N 3.118 122.409 119.300 -0.015 0.000 2.789 825 C HA 0.741 5.208 4.460 0.012 0.000 0.367 825 C C -0.894 174.222 174.990 0.210 0.000 1.062 825 C CA 0.514 59.571 59.018 0.064 0.000 1.297 825 C CB 0.477 28.224 27.740 0.012 0.000 1.794 825 C HN 0.790 nan 8.230 nan 0.000 0.474 826 T N 2.472 117.126 114.554 0.167 0.000 2.907 826 T HA 0.880 5.237 4.350 0.012 0.000 0.292 826 T C -0.399 174.150 174.700 -0.253 0.000 1.043 826 T CA -0.309 61.847 62.100 0.095 0.000 1.003 826 T CB 1.915 70.781 68.868 -0.003 0.000 1.084 826 T HN 1.499 nan 8.240 nan 0.000 0.483 827 A N 1.896 124.330 122.820 -0.644 0.000 2.330 827 A HA 0.753 5.080 4.320 0.012 0.000 0.327 827 A C -0.906 176.427 177.584 -0.419 0.000 1.155 827 A CA -0.740 50.780 52.037 -0.861 0.000 0.803 827 A CB 0.883 18.917 19.000 -1.610 0.000 1.208 827 A HN 0.894 nan 8.150 nan 0.000 0.477 828 D N 1.100 121.309 120.400 -0.317 0.000 2.879 828 D HA 0.337 4.984 4.640 0.012 0.000 0.236 828 D C -1.132 175.061 176.300 -0.179 0.000 1.171 828 D CA -0.099 53.782 54.000 -0.198 0.000 0.868 828 D CB 2.173 42.894 40.800 -0.133 0.000 1.598 828 D HN 0.352 nan 8.370 nan 0.000 0.497 829 T N 2.170 116.641 114.554 -0.139 0.000 2.733 829 T HA 0.448 4.805 4.350 0.012 0.000 0.294 829 T C 0.391 175.036 174.700 -0.091 0.000 0.956 829 T CA -0.285 61.745 62.100 -0.116 0.000 0.987 829 T CB 0.303 69.108 68.868 -0.105 0.000 0.920 829 T HN 0.115 nan 8.240 nan 0.000 0.470 830 L N 2.218 123.390 121.223 -0.085 0.000 2.347 830 L HA 0.611 4.958 4.340 0.012 0.000 0.268 830 L C 1.879 178.714 176.870 -0.058 0.000 1.019 830 L CA -1.119 53.681 54.840 -0.066 0.000 0.806 830 L CB 0.460 42.481 42.059 -0.062 0.000 1.339 830 L HN 0.623 nan 8.230 nan 0.000 0.463 831 A N 0.224 123.016 122.820 -0.046 0.000 2.015 831 A HA -0.130 4.197 4.320 0.012 0.000 0.219 831 A C 0.961 178.523 177.584 -0.038 0.000 1.163 831 A CA 1.867 53.881 52.037 -0.040 0.000 0.646 831 A CB -0.435 18.546 19.000 -0.032 0.000 0.806 831 A HN 0.895 nan 8.150 nan 0.000 0.448 832 D N -3.152 117.225 120.400 -0.039 0.000 2.602 832 D HA 0.514 5.161 4.640 0.012 0.000 0.265 832 D C -0.058 176.219 176.300 -0.038 0.000 1.454 832 D CA 0.692 54.673 54.000 -0.033 0.000 0.795 832 D CB -0.419 40.364 40.800 -0.028 0.000 1.140 832 D HN 0.484 nan 8.370 nan 0.000 0.486 833 A N -0.488 122.299 122.820 -0.055 0.000 2.566 833 A HA 0.602 4.929 4.320 0.012 0.000 0.290 833 A C -1.740 175.785 177.584 -0.098 0.000 1.071 833 A CA -0.679 51.313 52.037 -0.075 0.000 0.658 833 A CB 1.406 20.362 19.000 -0.073 0.000 1.285 833 A HN 0.012 nan 8.150 nan 0.000 0.427 834 V N 0.658 120.494 119.914 -0.130 0.000 2.483 834 V HA 0.636 4.763 4.120 0.012 0.000 0.295 834 V C -0.700 175.285 176.094 -0.183 0.000 1.035 834 V CA -0.386 61.817 62.300 -0.162 0.000 0.896 834 V CB 1.318 33.038 31.823 -0.172 0.000 0.986 834 V HN 0.866 nan 8.190 nan 0.000 0.447 835 L N 6.358 127.465 121.223 -0.193 0.000 2.343 835 L HA 0.624 4.971 4.340 0.012 0.000 0.278 835 L C -0.773 175.953 176.870 -0.240 0.000 0.996 835 L CA 0.005 54.743 54.840 -0.171 0.000 0.831 835 L CB 1.081 43.073 42.059 -0.112 0.000 1.232 835 L HN 0.403 nan 8.230 nan 0.000 0.413 836 I N 3.827 124.245 120.570 -0.253 0.000 2.437 836 I HA 0.455 4.632 4.170 0.012 0.000 0.298 836 I C 0.050 176.132 176.117 -0.059 0.000 0.984 836 I CA -0.229 60.871 61.300 -0.334 0.000 1.214 836 I CB 1.608 39.145 38.000 -0.771 0.000 1.365 836 I HN 0.578 nan 8.210 nan 0.000 0.469 837 T N 4.356 118.891 114.554 -0.031 0.000 2.841 837 T HA 0.601 4.958 4.350 0.012 0.000 0.285 837 T C -0.000 174.763 174.700 0.104 0.000 0.991 837 T CA -0.558 61.582 62.100 0.066 0.000 0.966 837 T CB 1.818 70.694 68.868 0.014 0.000 0.962 837 T HN 0.798 nan 8.240 nan 0.000 0.438 838 T N -0.342 114.320 114.554 0.179 0.000 2.906 838 T HA 0.891 5.248 4.350 0.012 0.000 0.295 838 T C -1.127 173.657 174.700 0.140 0.000 1.075 838 T CA -1.064 61.125 62.100 0.148 0.000 1.005 838 T CB 2.046 71.069 68.868 0.257 0.000 1.136 838 T HN 0.766 nan 8.240 nan 0.000 0.498 839 A N 1.454 124.286 122.820 0.020 0.000 2.427 839 A HA 0.773 5.100 4.320 0.012 0.000 0.298 839 A C -1.420 176.092 177.584 -0.120 0.000 1.036 839 A CA -0.758 51.313 52.037 0.056 0.000 0.701 839 A CB 0.891 19.918 19.000 0.046 0.000 1.250 839 A HN 0.990 nan 8.150 nan 0.000 0.412 840 H N 0.036 119.173 119.070 0.111 0.000 2.821 840 H HA 0.801 5.364 4.556 0.012 0.000 0.373 840 H C -0.081 175.275 175.328 0.046 0.000 1.165 840 H CA 0.263 56.285 56.048 -0.043 0.000 1.154 840 H CB 2.149 31.754 29.762 -0.260 0.000 1.765 840 H HN 0.983 nan 8.280 nan 0.000 0.549 841 A N 1.660 124.484 122.820 0.008 0.000 2.343 841 A HA 0.420 4.747 4.320 0.012 0.000 0.316 841 A C -1.354 176.221 177.584 -0.015 0.000 1.104 841 A CA -0.713 51.395 52.037 0.119 0.000 0.768 841 A CB 1.114 20.171 19.000 0.096 0.000 1.213 841 A HN 0.579 nan 8.150 nan 0.000 0.456 842 W N 2.227 123.641 121.300 0.190 0.000 2.349 842 W HA 0.408 5.075 4.660 0.012 0.000 0.309 842 W C -0.307 176.247 176.519 0.058 0.000 1.083 842 W CA -0.141 57.312 57.345 0.180 0.000 1.224 842 W CB 1.521 31.154 29.460 0.288 0.000 1.256 842 W HN 0.734 nan 8.180 nan 0.000 0.461 843 Q N 1.923 121.847 119.800 0.207 0.000 2.433 843 Q HA 0.381 4.728 4.340 0.012 0.000 0.279 843 Q C -0.853 175.271 176.000 0.207 0.000 1.105 843 Q CA -0.906 54.981 55.803 0.140 0.000 0.815 843 Q CB 3.542 32.322 28.738 0.070 0.000 1.403 843 Q HN 0.376 nan 8.270 nan 0.000 0.435 844 H N 1.653 120.759 119.070 0.060 0.000 3.096 844 H HA 0.080 4.643 4.556 0.012 0.000 0.335 844 H C -0.846 174.518 175.328 0.060 0.000 0.990 844 H CA -0.071 56.025 56.048 0.080 0.000 1.393 844 H CB 1.065 30.895 29.762 0.113 0.000 1.742 844 H HN 0.812 nan 8.280 nan 0.000 0.501 845 Q N 3.467 122.952 119.800 -0.526 0.000 2.435 845 Q HA -0.234 4.113 4.340 0.012 0.000 0.312 845 Q C 0.849 176.774 176.000 -0.124 0.000 1.333 845 Q CA 1.335 56.920 55.803 -0.362 0.000 0.883 845 Q CB -1.524 26.925 28.738 -0.482 0.000 1.170 845 Q HN 1.196 nan 8.270 nan 0.000 0.443 846 G N -0.296 108.466 108.800 -0.064 0.000 2.217 846 G HA2 -0.335 3.632 3.960 0.012 0.000 0.246 846 G HA3 -0.335 3.632 3.960 0.012 0.000 0.246 846 G C -0.004 174.902 174.900 0.010 0.000 0.990 846 G CA 0.470 45.559 45.100 -0.018 0.000 0.627 846 G HN 0.350 nan 8.290 nan 0.000 0.522 847 K N 1.704 122.124 120.400 0.034 0.000 2.213 847 K HA 0.643 4.970 4.320 0.012 0.000 0.270 847 K C -0.000 176.620 176.600 0.033 0.000 1.002 847 K CA -0.150 56.163 56.287 0.043 0.000 0.868 847 K CB 0.971 33.507 32.500 0.060 0.000 1.093 847 K HN -0.006 nan 8.250 nan 0.000 0.454 848 T N 6.438 121.000 114.554 0.013 0.000 2.738 848 T HA 0.171 4.528 4.350 0.012 0.000 0.294 848 T C 1.107 175.756 174.700 -0.085 0.000 0.914 848 T CA -0.283 61.820 62.100 0.007 0.000 1.052 848 T CB 0.119 69.006 68.868 0.032 0.000 0.897 848 T HN 0.551 nan 8.240 nan 0.000 0.522 849 L N 2.437 123.530 121.223 -0.216 0.000 2.102 849 L HA 0.312 4.659 4.340 0.012 0.000 0.202 849 L C 0.136 176.510 176.870 -0.827 0.000 1.076 849 L CA 0.977 55.402 54.840 -0.691 0.000 0.761 849 L CB -0.028 41.309 42.059 -1.202 0.000 0.921 849 L HN 0.501 nan 8.230 nan 0.000 0.444 850 F N -1.311 118.593 119.950 -0.076 0.000 2.613 850 F HA 0.588 5.122 4.527 0.012 0.000 0.314 850 F C -0.491 175.396 175.800 0.144 0.000 1.075 850 F CA -0.878 57.016 58.000 -0.177 0.000 0.945 850 F CB 2.108 40.612 39.000 -0.826 0.000 1.310 850 F HN -0.338 nan 8.300 nan 0.000 0.467 851 I N 1.240 122.026 120.570 0.361 0.000 2.533 851 I HA 0.363 4.540 4.170 0.012 0.000 0.290 851 I C -0.876 175.509 176.117 0.447 0.000 1.056 851 I CA -0.505 61.042 61.300 0.411 0.000 1.057 851 I CB 2.243 40.400 38.000 0.262 0.000 1.240 851 I HN 0.502 nan 8.210 nan 0.000 0.423 852 S N 6.657 122.727 115.700 0.617 0.000 2.498 852 S HA 0.601 5.078 4.470 0.012 0.000 0.317 852 S C -0.731 174.128 174.600 0.430 0.000 1.090 852 S CA -0.664 57.869 58.200 0.554 0.000 1.089 852 S CB 0.711 64.345 63.200 0.724 0.000 0.997 852 S HN 0.555 nan 8.310 nan 0.000 0.470 853 R N 3.307 123.981 120.500 0.291 0.000 2.494 853 R HA 0.623 4.970 4.340 0.012 0.000 0.305 853 R C -0.895 175.500 176.300 0.158 0.000 0.959 853 R CA -0.805 55.423 56.100 0.214 0.000 0.864 853 R CB 1.901 32.296 30.300 0.158 0.000 1.159 853 R HN 0.595 nan 8.270 nan 0.000 0.446 854 K N 0.560 121.053 120.400 0.156 0.000 2.536 854 K HA 0.410 4.737 4.320 0.012 0.000 0.269 854 K C -1.065 175.557 176.600 0.037 0.000 0.965 854 K CA -0.966 55.347 56.287 0.045 0.000 0.860 854 K CB 2.461 34.967 32.500 0.010 0.000 1.423 854 K HN 0.634 nan 8.250 nan 0.000 0.438 855 T N -1.386 113.110 114.554 -0.097 0.000 2.876 855 T HA 0.591 4.948 4.350 0.012 0.000 0.289 855 T C -1.195 173.385 174.700 -0.199 0.000 1.014 855 T CA -0.771 61.303 62.100 -0.043 0.000 0.986 855 T CB 0.493 69.354 68.868 -0.012 0.000 1.021 855 T HN 0.394 nan 8.240 nan 0.000 0.458 856 Y N 0.797 121.094 120.300 -0.005 0.000 2.326 856 Y HA 0.645 5.202 4.550 0.012 0.000 0.331 856 Y C 0.349 176.195 175.900 -0.089 0.000 0.962 856 Y CA -1.275 56.831 58.100 0.010 0.000 1.167 856 Y CB 1.775 40.290 38.460 0.091 0.000 1.148 856 Y HN 0.724 nan 8.280 nan 0.000 0.463 857 R N 4.184 124.714 120.500 0.049 0.000 2.320 857 R HA 0.641 4.988 4.340 0.012 0.000 0.319 857 R C -1.708 174.545 176.300 -0.078 0.000 0.969 857 R CA -0.256 55.825 56.100 -0.031 0.000 0.857 857 R CB 0.373 30.663 30.300 -0.018 0.000 1.160 857 R HN 0.779 nan 8.270 nan 0.000 0.491 858 I N 5.299 125.758 120.570 -0.186 0.000 2.321 858 I HA 0.246 4.423 4.170 0.012 0.000 0.291 858 I C -0.052 175.937 176.117 -0.214 0.000 0.998 858 I CA -0.548 60.551 61.300 -0.334 0.000 1.227 858 I CB 1.221 38.791 38.000 -0.718 0.000 1.368 858 I HN 0.713 nan 8.210 nan 0.000 0.466 859 D N 4.537 124.857 120.400 -0.133 0.000 2.650 859 D HA 0.210 4.857 4.640 0.012 0.000 0.255 859 D C 1.102 177.396 176.300 -0.009 0.000 1.135 859 D CA -0.612 53.351 54.000 -0.062 0.000 1.099 859 D CB 1.267 42.049 40.800 -0.029 0.000 1.273 859 D HN 0.489 nan 8.370 nan 0.000 0.628 860 G N -0.913 107.898 108.800 0.018 0.000 2.535 860 G HA2 -0.167 3.800 3.960 0.012 0.000 0.218 860 G HA3 -0.167 3.800 3.960 0.012 0.000 0.218 860 G C 1.218 176.186 174.900 0.113 0.000 1.122 860 G CA 1.179 46.315 45.100 0.060 0.000 0.769 860 G HN 0.518 nan 8.290 nan 0.000 0.549 861 S N -1.667 114.093 115.700 0.099 0.000 2.535 861 S HA 0.411 4.888 4.470 0.012 0.000 0.214 861 S C 1.769 176.465 174.600 0.159 0.000 0.980 861 S CA 0.894 59.179 58.200 0.143 0.000 0.907 861 S CB 0.317 63.584 63.200 0.112 0.000 0.790 861 S HN 1.378 nan 8.310 nan 0.000 0.510 862 G N 0.550 109.452 108.800 0.169 0.000 2.195 862 G HA2 -0.213 3.754 3.960 0.012 0.000 0.224 862 G HA3 -0.213 3.754 3.960 0.012 0.000 0.224 862 G C -0.174 174.894 174.900 0.281 0.000 0.990 862 G CA -0.076 45.190 45.100 0.278 0.000 0.639 862 G HN 0.602 nan 8.290 nan 0.000 0.514 863 Q N -0.061 119.836 119.800 0.161 0.000 2.259 863 Q HA 0.698 5.045 4.340 0.012 0.000 0.246 863 Q C 0.209 176.257 176.000 0.080 0.000 0.920 863 Q CA -0.228 55.673 55.803 0.163 0.000 0.895 863 Q CB 1.619 30.443 28.738 0.144 0.000 1.220 863 Q HN 0.402 nan 8.270 nan 0.000 0.439 864 M N 1.955 121.643 119.600 0.148 0.000 2.043 864 M HA 0.534 5.021 4.480 0.012 0.000 0.322 864 M C -1.468 174.938 176.300 0.176 0.000 0.962 864 M CA -0.566 54.790 55.300 0.092 0.000 0.927 864 M CB 0.912 33.593 32.600 0.135 0.000 1.466 864 M HN 0.737 nan 8.290 nan 0.000 0.412 865 A N 6.831 129.717 122.820 0.110 0.000 2.289 865 A HA 0.664 4.991 4.320 0.012 0.000 0.298 865 A C -0.690 176.933 177.584 0.065 0.000 1.208 865 A CA -0.568 51.535 52.037 0.111 0.000 0.845 865 A CB 0.208 19.254 19.000 0.077 0.000 1.125 865 A HN 0.919 nan 8.150 nan 0.000 0.517 866 I N 2.671 123.271 120.570 0.051 0.000 2.362 866 I HA 0.302 4.479 4.170 0.012 0.000 0.289 866 I C -0.234 175.791 176.117 -0.153 0.000 0.994 866 I CA -0.200 61.031 61.300 -0.115 0.000 1.158 866 I CB 2.013 39.974 38.000 -0.065 0.000 1.315 866 I HN 0.526 nan 8.210 nan 0.000 0.451 867 T N 5.784 120.212 114.554 -0.210 0.000 2.797 867 T HA 0.572 4.929 4.350 0.012 0.000 0.279 867 T C -0.255 174.270 174.700 -0.290 0.000 0.991 867 T CA -0.496 61.487 62.100 -0.195 0.000 0.979 867 T CB 2.065 70.909 68.868 -0.040 0.000 0.943 867 T HN 0.210 nan 8.240 nan 0.000 0.444 868 V N 2.927 122.544 119.914 -0.495 0.000 2.588 868 V HA 0.525 4.652 4.120 0.012 0.000 0.304 868 V C -0.976 174.961 176.094 -0.262 0.000 1.042 868 V CA -0.976 61.059 62.300 -0.442 0.000 0.877 868 V CB 2.131 33.417 31.823 -0.896 0.000 0.996 868 V HN 0.903 nan 8.190 nan 0.000 0.425 869 D N 2.703 123.112 120.400 0.015 0.000 2.542 869 D HA 0.567 5.214 4.640 0.012 0.000 0.252 869 D C -0.808 175.616 176.300 0.207 0.000 1.222 869 D CA -0.184 53.912 54.000 0.160 0.000 0.895 869 D CB 2.196 43.116 40.800 0.199 0.000 1.207 869 D HN 0.309 nan 8.370 nan 0.000 0.558 870 V N 2.190 122.262 119.914 0.264 0.000 2.630 870 V HA 0.404 4.531 4.120 0.012 0.000 0.305 870 V C 0.057 176.299 176.094 0.247 0.000 1.046 870 V CA -0.674 61.801 62.300 0.293 0.000 0.934 870 V CB 1.948 33.995 31.823 0.373 0.000 1.003 870 V HN 0.443 nan 8.190 nan 0.000 0.451 871 E N 2.310 122.644 120.200 0.223 0.000 2.187 871 E HA 0.613 4.970 4.350 0.012 0.000 0.268 871 E C -1.595 175.126 176.600 0.202 0.000 0.896 871 E CA -0.555 55.954 56.400 0.182 0.000 0.766 871 E CB 2.585 32.376 29.700 0.153 0.000 1.142 871 E HN 0.391 nan 8.360 nan 0.000 0.408 872 V N 2.094 122.129 119.914 0.202 0.000 2.487 872 V HA 0.357 4.484 4.120 0.012 0.000 0.298 872 V C 0.045 176.227 176.094 0.147 0.000 1.028 872 V CA -0.895 61.544 62.300 0.233 0.000 0.860 872 V CB 1.561 33.568 31.823 0.306 0.000 0.991 872 V HN 0.841 nan 8.190 nan 0.000 0.427 873 A N 3.501 126.356 122.820 0.058 0.000 2.567 873 A HA 0.253 4.580 4.320 0.012 0.000 0.240 873 A C 1.628 179.277 177.584 0.107 0.000 1.053 873 A CA 0.683 52.748 52.037 0.047 0.000 0.755 873 A CB 0.233 19.224 19.000 -0.014 0.000 0.978 873 A HN 1.373 nan 8.150 nan 0.000 0.507 874 S N 1.234 116.997 115.700 0.104 0.000 2.423 874 S HA -0.158 4.319 4.470 0.012 0.000 0.231 874 S C 0.971 175.652 174.600 0.135 0.000 1.014 874 S CA 1.328 59.611 58.200 0.137 0.000 0.965 874 S CB -0.279 62.982 63.200 0.103 0.000 0.785 874 S HN 0.841 nan 8.310 nan 0.000 0.495 875 D N 0.364 120.816 120.400 0.087 0.000 2.328 875 D HA 0.133 4.780 4.640 0.012 0.000 0.221 875 D C 0.500 176.834 176.300 0.056 0.000 1.072 875 D CA 0.058 54.093 54.000 0.059 0.000 0.850 875 D CB -0.391 40.432 40.800 0.038 0.000 0.922 875 D HN 0.306 nan 8.370 nan 0.000 0.516 876 T N 1.182 115.791 114.554 0.092 0.000 2.928 876 T HA 0.419 4.776 4.350 0.012 0.000 0.284 876 T C -2.615 172.182 174.700 0.163 0.000 1.008 876 T CA -1.982 60.197 62.100 0.132 0.000 1.057 876 T CB 1.208 70.175 68.868 0.165 0.000 1.018 876 T HN -0.152 nan 8.240 nan 0.000 0.493 877 P HA 0.108 nan 4.420 nan 0.000 0.265 877 P C -0.645 176.940 177.300 0.474 0.000 1.193 877 P CA 0.055 63.247 63.100 0.154 0.000 0.765 877 P CB -0.079 31.707 31.700 0.144 0.000 0.823 878 H N 3.474 122.910 119.070 0.609 0.000 3.094 878 H HA 0.065 4.628 4.556 0.012 0.000 0.320 878 H C -1.654 173.994 175.328 0.535 0.000 1.000 878 H CA -1.247 55.090 56.048 0.481 0.000 1.413 878 H CB -0.618 29.355 29.762 0.352 0.000 1.405 878 H HN 0.369 nan 8.280 nan 0.000 0.586 879 P HA 0.022 nan 4.420 nan 0.000 0.274 879 P C 0.218 177.354 177.300 -0.272 0.000 1.231 879 P CA -0.304 62.831 63.100 0.058 0.000 0.790 879 P CB 1.099 32.761 31.700 -0.063 0.000 0.951 880 A N 3.541 125.904 122.820 -0.762 0.000 1.940 880 A HA -0.130 4.197 4.320 0.012 0.000 0.219 880 A C 0.949 178.113 177.584 -0.700 0.000 1.176 880 A CA 1.530 53.088 52.037 -0.798 0.000 0.631 880 A CB -0.592 17.779 19.000 -1.048 0.000 0.814 880 A HN 0.760 nan 8.150 nan 0.000 0.446 881 R N -3.144 117.000 120.500 -0.593 0.000 2.741 881 R HA 0.724 5.071 4.340 0.012 0.000 0.274 881 R C -1.575 174.470 176.300 -0.425 0.000 1.029 881 R CA -0.821 54.957 56.100 -0.536 0.000 0.880 881 R CB 0.794 30.744 30.300 -0.583 0.000 1.264 881 R HN 0.002 nan 8.270 nan 0.000 0.465 882 I N 0.903 121.245 120.570 -0.379 0.000 2.517 882 I HA 0.650 4.827 4.170 0.012 0.000 0.280 882 I C -0.516 175.334 176.117 -0.445 0.000 1.061 882 I CA -0.438 60.640 61.300 -0.370 0.000 1.091 882 I CB 1.706 39.583 38.000 -0.206 0.000 1.205 882 I HN 0.965 nan 8.210 nan 0.000 0.459 883 G N 5.783 114.255 108.800 -0.546 0.000 2.634 883 G HA2 0.761 4.729 3.960 0.012 0.000 0.309 883 G HA3 0.761 4.729 3.960 0.012 0.000 0.309 883 G C -1.670 173.043 174.900 -0.311 0.000 1.299 883 G CA -0.574 44.273 45.100 -0.420 0.000 0.798 883 G HN 0.271 nan 8.290 nan 0.000 0.490 884 L N 0.812 121.915 121.223 -0.200 0.000 2.301 884 L HA 0.657 5.004 4.340 0.012 0.000 0.264 884 L C -0.476 176.289 176.870 -0.175 0.000 1.016 884 L CA -1.116 53.632 54.840 -0.153 0.000 0.821 884 L CB 2.421 44.469 42.059 -0.017 0.000 1.346 884 L HN 0.822 nan 8.230 nan 0.000 0.429 885 N N 0.405 119.026 118.700 -0.132 0.000 2.732 885 N HA 0.701 5.448 4.740 0.012 0.000 0.259 885 N C -1.378 174.118 175.510 -0.023 0.000 1.402 885 N CA -0.466 52.539 53.050 -0.075 0.000 0.829 885 N CB 2.596 41.071 38.487 -0.019 0.000 1.495 885 N HN 0.867 nan 8.380 nan 0.000 0.511 886 C N -1.662 117.637 119.300 -0.002 0.000 3.275 886 C HA 0.457 4.924 4.460 0.012 0.000 0.345 886 C C -1.234 173.559 174.990 -0.327 0.000 1.257 886 C CA -0.868 58.094 59.018 -0.093 0.000 1.203 886 C CB 0.804 28.529 27.740 -0.025 0.000 1.492 886 C HN 0.869 nan 8.230 nan 0.000 0.484 887 Q N 1.669 121.121 119.800 -0.580 0.000 2.398 887 Q HA 0.633 4.980 4.340 0.012 0.000 0.251 887 Q C -0.726 174.999 176.000 -0.457 0.000 0.999 887 Q CA -0.423 54.833 55.803 -0.912 0.000 0.874 887 Q CB 0.655 28.494 28.738 -1.497 0.000 1.215 887 Q HN 0.746 nan 8.270 nan 0.000 0.470 888 L N 2.514 123.548 121.223 -0.315 0.000 2.439 888 L HA 0.170 4.517 4.340 0.012 0.000 0.269 888 L C 1.236 178.034 176.870 -0.120 0.000 1.179 888 L CA -0.124 54.646 54.840 -0.115 0.000 0.828 888 L CB 0.619 42.709 42.059 0.052 0.000 1.106 888 L HN 0.785 nan 8.230 nan 0.000 0.467 889 A N 1.990 124.770 122.820 -0.067 0.000 1.968 889 A HA -0.099 4.228 4.320 0.012 0.000 0.217 889 A C 1.146 178.713 177.584 -0.029 0.000 1.169 889 A CA 0.496 52.488 52.037 -0.075 0.000 0.638 889 A CB -0.273 18.677 19.000 -0.083 0.000 0.812 889 A HN 0.795 nan 8.150 nan 0.000 0.446 890 Q N 0.101 119.917 119.800 0.028 0.000 2.364 890 Q HA 0.371 4.718 4.340 0.012 0.000 0.267 890 Q C -1.084 174.952 176.000 0.060 0.000 0.999 890 Q CA 0.358 56.176 55.803 0.025 0.000 0.886 890 Q CB 0.758 29.515 28.738 0.032 0.000 1.243 890 Q HN 0.127 nan 8.270 nan 0.000 0.415 891 V N 3.906 123.825 119.914 0.008 0.000 2.376 891 V HA 0.750 4.877 4.120 0.012 0.000 0.287 891 V C -0.486 175.595 176.094 -0.021 0.000 1.015 891 V CA -0.236 62.095 62.300 0.053 0.000 0.834 891 V CB 0.830 32.666 31.823 0.023 0.000 1.001 891 V HN 0.910 nan 8.190 nan 0.000 0.428 892 A N 3.320 126.115 122.820 -0.042 0.000 2.330 892 A HA 0.712 5.039 4.320 0.012 0.000 0.329 892 A C 0.715 178.329 177.584 0.050 0.000 1.135 892 A CA -0.524 51.412 52.037 -0.170 0.000 0.817 892 A CB 1.070 19.710 19.000 -0.599 0.000 1.269 892 A HN 0.823 nan 8.150 nan 0.000 0.469 893 E N 0.299 120.510 120.200 0.018 0.000 2.152 893 E HA -0.054 4.303 4.350 0.012 0.000 0.192 893 E C 0.260 176.935 176.600 0.124 0.000 0.983 893 E CA 0.811 57.251 56.400 0.066 0.000 0.818 893 E CB 0.090 29.810 29.700 0.034 0.000 0.758 893 E HN 0.490 nan 8.360 nan 0.000 0.467 894 R N 0.006 120.598 120.500 0.153 0.000 2.855 894 R HA 0.536 4.883 4.340 0.012 0.000 0.266 894 R C -0.999 175.500 176.300 0.332 0.000 1.034 894 R CA -0.854 55.370 56.100 0.207 0.000 0.944 894 R CB 1.676 32.065 30.300 0.148 0.000 1.219 894 R HN -0.179 nan 8.270 nan 0.000 0.474 895 V N 1.571 121.677 119.914 0.320 0.000 2.444 895 V HA 0.342 4.469 4.120 0.012 0.000 0.294 895 V C -0.261 176.100 176.094 0.446 0.000 1.022 895 V CA -0.924 61.601 62.300 0.376 0.000 0.850 895 V CB 1.627 33.611 31.823 0.268 0.000 0.992 895 V HN 0.618 nan 8.190 nan 0.000 0.426 896 N N 4.895 123.832 118.700 0.394 0.000 2.407 896 N HA 0.482 5.229 4.740 0.012 0.000 0.277 896 N C -1.233 174.518 175.510 0.402 0.000 0.995 896 N CA -0.408 52.838 53.050 0.327 0.000 0.903 896 N CB 2.163 40.748 38.487 0.163 0.000 1.218 896 N HN 0.832 nan 8.380 nan 0.000 0.487 897 W N 3.488 124.840 121.300 0.088 0.000 3.083 897 W HA 0.595 5.262 4.660 0.011 0.000 0.333 897 W C -1.941 174.553 176.519 -0.042 0.000 1.217 897 W CA -1.166 56.205 57.345 0.043 0.000 1.170 897 W CB 0.711 30.233 29.460 0.104 0.000 1.437 897 W HN 0.198 nan 8.180 nan 0.000 0.557 898 L N 3.893 125.091 121.223 -0.041 0.000 2.295 898 L HA 0.916 5.263 4.340 0.012 0.000 0.281 898 L C 0.000 176.658 176.870 -0.354 0.000 1.018 898 L CA 0.337 54.946 54.840 -0.385 0.000 0.841 898 L CB 0.680 42.614 42.059 -0.207 0.000 1.218 898 L HN 1.009 nan 8.230 nan 0.000 0.424 899 G N 3.785 112.197 108.800 -0.646 0.000 2.336 899 G HA2 0.201 4.168 3.960 0.012 0.000 0.286 899 G HA3 0.201 4.168 3.960 0.012 0.000 0.286 899 G C -1.627 173.296 174.900 0.037 0.000 1.269 899 G CA -1.058 43.889 45.100 -0.256 0.000 0.873 899 G HN 0.486 nan 8.290 nan 0.000 0.494 900 L N 0.948 122.330 121.223 0.264 0.000 2.380 900 L HA 0.612 4.959 4.340 0.012 0.000 0.273 900 L C 1.111 178.058 176.870 0.128 0.000 1.138 900 L CA 0.729 55.690 54.840 0.203 0.000 0.832 900 L CB 0.576 42.702 42.059 0.113 0.000 1.124 900 L HN 1.206 nan 8.230 nan 0.000 0.454 901 G N 2.485 111.086 108.800 -0.331 0.000 2.428 901 G HA2 0.261 4.228 3.960 0.012 0.000 0.305 901 G HA3 0.261 4.228 3.960 0.012 0.000 0.305 901 G C -2.732 171.310 174.900 -1.430 0.000 1.260 901 G CA -0.276 44.278 45.100 -0.910 0.000 0.853 901 G HN 0.301 nan 8.290 nan 0.000 0.480 902 P HA 0.065 nan 4.420 nan 0.000 0.224 902 P C 0.605 177.702 177.300 -0.338 0.000 1.157 902 P CA 0.725 63.152 63.100 -1.121 0.000 0.799 902 P CB 0.253 31.489 31.700 -0.774 0.000 0.809 903 Q N 0.490 120.092 119.800 -0.331 0.000 2.443 903 Q HA 0.101 4.448 4.340 0.012 0.000 0.232 903 Q C 0.454 176.335 176.000 -0.199 0.000 1.026 903 Q CA -0.424 55.260 55.803 -0.198 0.000 0.924 903 Q CB 0.464 29.110 28.738 -0.154 0.000 1.256 903 Q HN 0.168 nan 8.270 nan 0.000 0.519 904 E N 1.354 121.445 120.200 -0.182 0.000 2.502 904 E HA -0.094 4.263 4.350 0.012 0.000 0.261 904 E C -1.113 175.404 176.600 -0.138 0.000 0.974 904 E CA 0.195 56.477 56.400 -0.198 0.000 0.936 904 E CB 0.263 29.909 29.700 -0.090 0.000 0.926 904 E HN 0.591 nan 8.360 nan 0.000 0.459 905 N N 2.662 121.213 118.700 -0.248 0.000 2.367 905 N HA 0.277 5.024 4.740 0.012 0.000 0.278 905 N C -1.905 173.388 175.510 -0.360 0.000 1.117 905 N CA -0.686 52.270 53.050 -0.156 0.000 0.867 905 N CB 0.669 39.077 38.487 -0.131 0.000 1.649 905 N HN 0.199 nan 8.380 nan 0.000 0.479 906 Y N 0.438 120.646 120.300 -0.153 0.000 2.549 906 Y HA 0.511 5.068 4.550 0.012 0.000 0.339 906 Y C -1.596 174.239 175.900 -0.108 0.000 1.053 906 Y CA -2.197 55.808 58.100 -0.159 0.000 1.105 906 Y CB 1.498 39.858 38.460 -0.167 0.000 1.258 906 Y HN 0.442 nan 8.280 nan 0.000 0.478 907 P HA -0.190 nan 4.420 nan 0.000 0.216 907 P C 0.465 177.692 177.300 -0.122 0.000 1.154 907 P CA 2.203 65.365 63.100 0.104 0.000 0.865 907 P CB 0.203 32.078 31.700 0.291 0.000 0.789 908 D N -2.371 117.711 120.400 -0.529 0.000 2.340 908 D HA -0.025 4.622 4.640 0.012 0.000 0.220 908 D C 0.811 176.946 176.300 -0.275 0.000 1.039 908 D CA 0.276 53.723 54.000 -0.921 0.000 0.866 908 D CB -0.347 39.712 40.800 -1.235 0.000 0.913 908 D HN 0.132 nan 8.370 nan 0.000 0.523 909 R N 0.919 121.366 120.500 -0.089 0.000 2.655 909 R HA 0.221 4.568 4.340 0.012 0.000 0.261 909 R C -0.668 175.666 176.300 0.055 0.000 1.624 909 R CA -0.190 55.925 56.100 0.026 0.000 1.655 909 R CB 0.089 30.412 30.300 0.038 0.000 1.356 909 R HN 0.117 nan 8.270 nan 0.000 0.684 910 L N -1.459 119.805 121.223 0.068 0.000 3.410 910 L HA 0.331 4.678 4.340 0.012 0.000 0.309 910 L C 1.267 178.193 176.870 0.093 0.000 1.254 910 L CA 0.118 54.997 54.840 0.064 0.000 1.048 910 L CB 0.182 42.269 42.059 0.045 0.000 1.442 910 L HN 0.106 nan 8.230 nan 0.000 0.615 911 T N -2.716 111.921 114.554 0.137 0.000 2.915 911 T HA 0.033 4.390 4.350 0.012 0.000 0.269 911 T C 1.784 176.513 174.700 0.048 0.000 1.071 911 T CA 1.278 63.475 62.100 0.163 0.000 1.132 911 T CB -0.268 68.759 68.868 0.264 0.000 0.878 911 T HN 0.395 nan 8.240 nan 0.000 0.479 912 A N 1.800 124.662 122.820 0.070 0.000 2.014 912 A HA 0.610 4.937 4.320 0.012 0.000 0.218 912 A C 1.711 179.365 177.584 0.116 0.000 1.163 912 A CA 0.622 52.660 52.037 0.002 0.000 0.652 912 A CB -1.105 18.043 19.000 0.245 0.000 0.808 912 A HN 0.865 nan 8.150 nan 0.000 0.449 913 A N -1.078 121.765 122.820 0.038 0.000 2.483 913 A HA 0.385 4.712 4.320 0.012 0.000 0.238 913 A C 0.107 177.708 177.584 0.029 0.000 1.070 913 A CA 0.172 52.195 52.037 -0.024 0.000 0.770 913 A CB -0.274 18.698 19.000 -0.046 0.000 1.008 913 A HN 0.537 nan 8.150 nan 0.000 0.497 914 C N 0.724 120.032 119.300 0.013 0.000 2.456 914 C HA 0.516 4.983 4.460 0.012 0.000 0.325 914 C C -0.064 175.062 174.990 0.227 0.000 1.217 914 C CA -0.482 58.612 59.018 0.126 0.000 1.687 914 C CB 0.693 28.533 27.740 0.167 0.000 2.270 914 C HN 0.787 nan 8.230 nan 0.000 0.499 915 F N 4.071 123.868 119.950 -0.254 0.000 2.438 915 F HA 0.429 4.963 4.527 0.012 0.000 0.360 915 F C 0.355 175.811 175.800 -0.573 0.000 1.118 915 F CA 1.090 58.803 58.000 -0.479 0.000 1.164 915 F CB -0.099 38.132 39.000 -1.282 0.000 1.131 915 F HN 0.644 nan 8.300 nan 0.000 0.527 916 D N 3.736 123.589 120.400 -0.912 0.000 2.838 916 D HA 0.210 4.857 4.640 0.012 0.000 0.334 916 D C -1.511 173.831 176.300 -1.597 0.000 1.315 916 D CA -0.735 52.531 54.000 -1.223 0.000 0.917 916 D CB 1.655 41.594 40.800 -1.435 0.000 1.435 916 D HN 0.483 nan 8.370 nan 0.000 0.517 917 R N 0.648 120.366 120.500 -1.302 0.000 2.202 917 R HA 0.480 4.827 4.340 0.012 0.000 0.334 917 R C -1.383 174.197 176.300 -1.199 0.000 1.036 917 R CA -0.193 55.304 56.100 -1.004 0.000 0.878 917 R CB 0.173 30.142 30.300 -0.551 0.000 1.067 917 R HN 0.269 nan 8.270 nan 0.000 0.457 918 W N 2.495 123.279 121.300 -0.860 0.000 2.706 918 W HA 0.410 5.077 4.660 0.012 0.000 0.346 918 W C -0.444 175.721 176.519 -0.590 0.000 1.071 918 W CA -0.736 56.044 57.345 -0.941 0.000 1.206 918 W CB 1.636 30.015 29.460 -1.802 0.000 1.413 918 W HN 0.374 nan 8.180 nan 0.000 0.542 919 D N 2.819 123.185 120.400 -0.056 0.000 2.402 919 D HA 0.419 5.066 4.640 0.012 0.000 0.252 919 D C -1.381 175.016 176.300 0.162 0.000 1.294 919 D CA -0.085 53.965 54.000 0.084 0.000 0.948 919 D CB 0.863 41.679 40.800 0.027 0.000 1.202 919 D HN 0.338 nan 8.370 nan 0.000 0.561 920 L N 3.069 124.460 121.223 0.281 0.000 2.327 920 L HA 0.557 4.904 4.340 0.012 0.000 0.258 920 L C -2.317 174.668 176.870 0.191 0.000 1.024 920 L CA -2.163 52.811 54.840 0.223 0.000 0.825 920 L CB 2.695 44.919 42.059 0.275 0.000 1.386 920 L HN 0.149 nan 8.230 nan 0.000 0.417 921 P HA 0.027 nan 4.420 nan 0.000 0.271 921 P C 0.570 177.938 177.300 0.114 0.000 1.218 921 P CA -0.357 62.810 63.100 0.111 0.000 0.780 921 P CB 1.003 32.749 31.700 0.078 0.000 0.901 922 L N 3.937 125.230 121.223 0.118 0.000 2.010 922 L HA -0.298 4.049 4.340 0.012 0.000 0.219 922 L C 2.309 179.215 176.870 0.059 0.000 1.077 922 L CA 2.946 57.841 54.840 0.092 0.000 0.773 922 L CB -1.708 40.413 42.059 0.103 0.000 0.892 922 L HN 0.476 nan 8.230 nan 0.000 0.436 923 S N -1.950 113.788 115.700 0.063 0.000 2.465 923 S HA -0.181 4.296 4.470 0.012 0.000 0.241 923 S C 1.601 176.262 174.600 0.102 0.000 1.000 923 S CA 1.163 59.416 58.200 0.089 0.000 0.964 923 S CB -0.773 62.479 63.200 0.086 0.000 0.763 923 S HN 0.544 nan 8.310 nan 0.000 0.512 924 D N 1.029 121.467 120.400 0.064 0.000 2.347 924 D HA 0.110 4.757 4.640 0.012 0.000 0.215 924 D C 1.316 177.611 176.300 -0.008 0.000 0.976 924 D CA 0.616 54.633 54.000 0.029 0.000 0.884 924 D CB -0.110 40.717 40.800 0.046 0.000 0.915 924 D HN 0.374 nan 8.370 nan 0.000 0.526 925 M N -0.436 119.166 119.600 0.003 0.000 2.561 925 M HA 0.042 4.529 4.480 0.012 0.000 0.238 925 M C 0.114 176.396 176.300 -0.030 0.000 1.131 925 M CA 0.011 55.266 55.300 -0.074 0.000 1.046 925 M CB -0.743 31.799 32.600 -0.098 0.000 1.532 925 M HN -0.045 nan 8.290 nan 0.000 0.497 926 Y N -0.002 120.245 120.300 -0.088 0.000 2.409 926 Y HA 0.484 5.041 4.550 0.012 0.000 0.339 926 Y C -0.677 175.168 175.900 -0.091 0.000 1.033 926 Y CA -0.877 57.193 58.100 -0.050 0.000 1.094 926 Y CB 1.294 39.785 38.460 0.051 0.000 1.210 926 Y HN -0.135 nan 8.280 nan 0.000 0.456 927 T N 8.495 122.521 114.554 -0.881 0.000 2.788 927 T HA 0.263 4.620 4.350 0.012 0.000 0.296 927 T C -2.644 171.288 174.700 -1.281 0.000 1.009 927 T CA -1.490 60.025 62.100 -0.976 0.000 0.949 927 T CB 0.980 69.299 68.868 -0.915 0.000 0.946 927 T HN 0.469 nan 8.240 nan 0.000 0.453 928 P HA 0.059 nan 4.420 nan 0.000 0.232 928 P C -0.562 176.624 177.300 -0.190 0.000 1.738 928 P CA -0.357 62.379 63.100 -0.607 0.000 0.948 928 P CB -0.817 30.669 31.700 -0.357 0.000 1.943 929 Y N -0.330 119.914 120.300 -0.093 0.000 2.717 929 Y HA -0.109 4.448 4.550 0.012 0.000 0.330 929 Y C 2.308 178.268 175.900 0.101 0.000 1.217 929 Y CA -0.581 57.529 58.100 0.017 0.000 1.506 929 Y CB 0.491 38.885 38.460 -0.109 0.000 1.268 929 Y HN -0.106 nan 8.280 nan 0.000 0.561 930 V N 3.823 123.968 119.914 0.385 0.000 2.278 930 V HA -0.328 3.799 4.120 0.012 0.000 0.251 930 V C 0.564 176.823 176.094 0.275 0.000 1.062 930 V CA 1.617 64.118 62.300 0.334 0.000 1.038 930 V CB -0.579 31.479 31.823 0.392 0.000 0.646 930 V HN 0.604 nan 8.190 nan 0.000 0.447 931 F N 2.938 122.920 119.950 0.054 0.000 2.371 931 F HA 0.535 5.069 4.527 0.012 0.000 0.363 931 F C -2.520 173.264 175.800 -0.026 0.000 1.122 931 F CA -3.169 54.797 58.000 -0.058 0.000 1.129 931 F CB 0.897 39.756 39.000 -0.235 0.000 1.173 931 F HN -0.024 nan 8.300 nan 0.000 0.489 932 P HA 0.281 nan 4.420 nan 0.000 0.271 932 P C -1.106 175.882 177.300 -0.519 0.000 1.216 932 P CA 0.010 62.861 63.100 -0.415 0.000 0.776 932 P CB 1.394 32.900 31.700 -0.323 0.000 0.881 933 S N -0.007 115.602 115.700 -0.152 0.000 2.661 933 S HA 0.431 4.908 4.470 0.012 0.000 0.268 933 S C -0.835 173.775 174.600 0.016 0.000 1.162 933 S CA -0.951 57.211 58.200 -0.063 0.000 0.817 933 S CB 0.502 63.710 63.200 0.013 0.000 1.141 933 S HN 0.304 nan 8.310 nan 0.000 0.477 934 E N 1.260 121.480 120.200 0.033 0.000 2.529 934 E HA 0.360 4.717 4.350 0.012 0.000 0.259 934 E C -0.170 176.493 176.600 0.105 0.000 0.966 934 E CA 0.886 57.327 56.400 0.069 0.000 0.937 934 E CB -0.326 29.436 29.700 0.103 0.000 0.923 934 E HN 0.803 nan 8.360 nan 0.000 0.468 935 N N 1.535 120.322 118.700 0.145 0.000 3.116 935 N HA 0.490 5.237 4.740 0.012 0.000 0.244 935 N C 0.229 175.786 175.510 0.078 0.000 1.485 935 N CA -0.519 52.649 53.050 0.197 0.000 0.884 935 N CB 0.737 39.340 38.487 0.192 0.000 1.415 935 N HN 0.706 nan 8.380 nan 0.000 0.524 936 G N -1.416 107.383 108.800 -0.002 0.000 2.184 936 G HA2 -0.264 3.703 3.960 0.012 0.000 0.264 936 G HA3 -0.264 3.703 3.960 0.012 0.000 0.264 936 G C -0.191 174.453 174.900 -0.425 0.000 0.975 936 G CA 0.422 45.407 45.100 -0.192 0.000 0.642 936 G HN 0.709 nan 8.290 nan 0.000 0.536 937 L N 0.056 120.964 121.223 -0.527 0.000 2.499 937 L HA 0.639 4.986 4.340 0.012 0.000 0.281 937 L C 0.681 176.978 176.870 -0.955 0.000 1.234 937 L CA 0.582 54.866 54.840 -0.927 0.000 0.839 937 L CB 0.525 41.678 42.059 -1.511 0.000 1.104 937 L HN 0.280 nan 8.230 nan 0.000 0.500 938 R N 2.167 122.014 120.500 -1.088 0.000 2.538 938 R HA 0.480 4.827 4.340 0.012 0.000 0.292 938 R C -1.036 174.884 176.300 -0.635 0.000 1.008 938 R CA -0.309 55.258 56.100 -0.889 0.000 0.896 938 R CB 1.370 30.957 30.300 -1.188 0.000 1.187 938 R HN 0.714 nan 8.270 nan 0.000 0.440 939 C N 0.361 119.450 119.300 -0.351 0.000 2.352 939 C HA 0.683 5.150 4.460 0.012 0.000 0.387 939 C C 1.359 176.332 174.990 -0.029 0.000 1.294 939 C CA -0.101 58.807 59.018 -0.182 0.000 2.137 939 C CB 1.155 28.813 27.740 -0.135 0.000 2.146 939 C HN 1.032 nan 8.230 nan 0.000 0.559 940 G N 1.766 110.563 108.800 -0.005 0.000 2.422 940 G HA2 -0.193 3.774 3.960 0.012 0.000 0.301 940 G HA3 -0.193 3.774 3.960 0.012 0.000 0.301 940 G C -0.006 174.956 174.900 0.102 0.000 0.981 940 G CA 0.657 45.802 45.100 0.075 0.000 0.994 940 G HN 0.812 nan 8.290 nan 0.000 0.514 941 T N 0.114 114.605 114.554 -0.105 0.000 2.780 941 T HA 0.465 4.823 4.350 0.012 0.000 0.294 941 T C 1.392 175.785 174.700 -0.512 0.000 0.949 941 T CA -0.533 61.458 62.100 -0.183 0.000 1.074 941 T CB 1.190 70.026 68.868 -0.052 0.000 0.910 941 T HN 0.278 nan 8.240 nan 0.000 0.501 942 R N 1.679 122.102 120.500 -0.129 0.000 2.307 942 R HA 0.300 4.647 4.340 0.012 0.000 0.200 942 R C 0.512 176.844 176.300 0.053 0.000 0.893 942 R CA 0.143 56.222 56.100 -0.036 0.000 1.042 942 R CB 0.430 30.844 30.300 0.190 0.000 1.059 942 R HN 0.670 nan 8.270 nan 0.000 0.530 943 E N 0.554 120.799 120.200 0.075 0.000 2.335 943 E HA 0.341 4.698 4.350 0.012 0.000 0.280 943 E C -1.846 174.884 176.600 0.216 0.000 0.918 943 E CA -0.689 55.826 56.400 0.191 0.000 0.765 943 E CB 1.650 31.434 29.700 0.140 0.000 1.218 943 E HN -0.075 nan 8.360 nan 0.000 0.425 944 L N 4.249 125.650 121.223 0.297 0.000 2.409 944 L HA 0.565 4.912 4.340 0.012 0.000 0.272 944 L C -1.800 175.263 176.870 0.323 0.000 0.980 944 L CA -0.382 54.588 54.840 0.217 0.000 0.826 944 L CB 1.660 43.654 42.059 -0.107 0.000 1.268 944 L HN 0.440 nan 8.230 nan 0.000 0.407 945 N N 4.804 123.668 118.700 0.273 0.000 2.372 945 N HA 0.420 5.167 4.740 0.012 0.000 0.285 945 N C -1.928 173.816 175.510 0.390 0.000 1.008 945 N CA -0.317 52.891 53.050 0.264 0.000 0.880 945 N CB 2.185 40.770 38.487 0.164 0.000 1.239 945 N HN 0.595 nan 8.380 nan 0.000 0.484 946 Y N 1.049 121.482 120.300 0.220 0.000 2.313 946 Y HA 0.373 4.930 4.550 0.012 0.000 0.320 946 Y C 0.556 176.574 175.900 0.198 0.000 1.171 946 Y CA 0.167 58.401 58.100 0.224 0.000 1.093 946 Y CB 0.507 39.160 38.460 0.321 0.000 1.224 946 Y HN 0.850 nan 8.280 nan 0.000 0.421 947 G N 6.360 114.931 108.800 -0.382 0.000 2.565 947 G HA2 -0.293 3.674 3.960 0.012 0.000 0.295 947 G HA3 -0.293 3.674 3.960 0.012 0.000 0.295 947 G C -1.850 172.913 174.900 -0.229 0.000 1.165 947 G CA 0.262 45.148 45.100 -0.357 0.000 0.977 947 G HN 0.598 nan 8.290 nan 0.000 0.546 948 P HA 0.236 nan 4.420 nan 0.000 0.272 948 P C 0.178 177.259 177.300 -0.365 0.000 1.276 948 P CA 0.372 63.255 63.100 -0.362 0.000 0.871 948 P CB 0.173 31.604 31.700 -0.447 0.000 1.313 949 H N 0.497 119.480 119.070 -0.145 0.000 2.505 949 H HA 0.472 5.035 4.556 0.012 0.000 0.355 949 H C -0.109 174.930 175.328 -0.482 0.000 1.179 949 H CA -0.004 55.820 56.048 -0.374 0.000 1.343 949 H CB 1.505 30.778 29.762 -0.814 0.000 1.501 949 H HN 0.042 nan 8.280 nan 0.000 0.569 950 Q N 1.964 121.465 119.800 -0.500 0.000 2.263 950 Q HA 0.192 4.539 4.340 0.012 0.000 0.266 950 Q C -1.730 174.013 176.000 -0.428 0.000 1.002 950 Q CA -0.621 55.003 55.803 -0.298 0.000 0.790 950 Q CB 1.891 30.602 28.738 -0.046 0.000 1.272 950 Q HN 0.596 nan 8.270 nan 0.000 0.435 951 W N 4.231 125.461 121.300 -0.116 0.000 2.529 951 W HA 0.569 5.236 4.660 0.012 0.000 0.321 951 W C -0.166 176.435 176.519 0.137 0.000 1.047 951 W CA -0.789 56.474 57.345 -0.135 0.000 1.216 951 W CB 1.730 30.912 29.460 -0.463 0.000 1.357 951 W HN 0.450 nan 8.180 nan 0.000 0.489 952 R N 1.255 121.997 120.500 0.404 0.000 2.561 952 R HA 0.742 5.089 4.340 0.012 0.000 0.297 952 R C 0.203 176.775 176.300 0.453 0.000 0.969 952 R CA -0.429 55.917 56.100 0.410 0.000 0.879 952 R CB 2.254 32.709 30.300 0.258 0.000 1.178 952 R HN 0.755 nan 8.270 nan 0.000 0.445 953 G N 0.945 110.036 108.800 0.485 0.000 2.498 953 G HA2 0.020 3.987 3.960 0.012 0.000 0.181 953 G HA3 0.020 3.987 3.960 0.012 0.000 0.181 953 G C -1.771 173.266 174.900 0.228 0.000 1.169 953 G CA -0.349 44.999 45.100 0.413 0.000 0.992 953 G HN 0.455 nan 8.290 nan 0.000 0.490 954 D N 0.180 120.720 120.400 0.234 0.000 2.346 954 D HA 0.615 5.262 4.640 0.012 0.000 0.255 954 D C -0.753 175.543 176.300 -0.007 0.000 1.276 954 D CA -0.471 53.534 54.000 0.008 0.000 0.941 954 D CB 0.306 41.151 40.800 0.075 0.000 1.199 954 D HN 0.493 nan 8.370 nan 0.000 0.537 955 F N -0.237 119.716 119.950 0.005 0.000 2.869 955 F HA 0.662 5.196 4.527 0.012 0.000 0.325 955 F C -1.248 174.513 175.800 -0.065 0.000 1.184 955 F CA -1.057 56.882 58.000 -0.103 0.000 0.951 955 F CB 0.628 39.565 39.000 -0.106 0.000 1.421 955 F HN -0.165 nan 8.300 nan 0.000 0.501 956 Q N 1.555 121.474 119.800 0.199 0.000 2.345 956 Q HA 0.649 4.996 4.340 0.012 0.000 0.268 956 Q C -1.279 174.799 176.000 0.130 0.000 1.054 956 Q CA -0.466 55.357 55.803 0.034 0.000 0.835 956 Q CB 2.653 31.281 28.738 -0.183 0.000 1.339 956 Q HN 0.839 nan 8.270 nan 0.000 0.447 957 F N -1.048 118.774 119.950 -0.214 0.000 2.662 957 F HA 0.760 5.294 4.527 0.012 0.000 0.312 957 F C -1.343 174.228 175.800 -0.381 0.000 1.113 957 F CA -1.141 56.688 58.000 -0.285 0.000 0.951 957 F CB 1.580 40.425 39.000 -0.259 0.000 1.344 957 F HN 0.529 nan 8.300 nan 0.000 0.462 958 N N 1.364 119.899 118.700 -0.275 0.000 2.284 958 N HA 0.750 5.497 4.740 0.012 0.000 0.289 958 N C -2.070 173.360 175.510 -0.133 0.000 1.179 958 N CA -0.719 52.152 53.050 -0.298 0.000 0.774 958 N CB 2.563 40.883 38.487 -0.279 0.000 1.548 958 N HN 1.141 nan 8.380 nan 0.000 0.473 959 I N 0.337 120.818 120.570 -0.148 0.000 2.710 959 I HA 0.642 4.819 4.170 0.012 0.000 0.290 959 I C -1.513 174.510 176.117 -0.157 0.000 1.318 959 I CA 0.159 61.347 61.300 -0.187 0.000 1.045 959 I CB 1.358 39.169 38.000 -0.315 0.000 1.307 959 I HN 1.097 nan 8.210 nan 0.000 0.424 960 S N 6.066 121.687 115.700 -0.133 0.000 2.663 960 S HA 0.449 4.926 4.470 0.012 0.000 0.264 960 S C -0.209 174.270 174.600 -0.201 0.000 1.112 960 S CA -0.977 57.125 58.200 -0.163 0.000 0.823 960 S CB 1.419 64.562 63.200 -0.095 0.000 1.111 960 S HN 0.643 nan 8.310 nan 0.000 0.476 961 R N -0.176 120.014 120.500 -0.518 0.000 2.313 961 R HA 0.207 4.554 4.340 0.012 0.000 0.199 961 R C -0.658 175.321 176.300 -0.537 0.000 0.958 961 R CA 0.504 56.274 56.100 -0.551 0.000 1.047 961 R CB -0.924 28.987 30.300 -0.649 0.000 0.955 961 R HN 0.671 nan 8.270 nan 0.000 0.481 962 Y N 0.079 120.345 120.300 -0.056 0.000 2.376 962 Y HA 0.229 4.786 4.550 0.012 0.000 0.340 962 Y C 0.625 176.277 175.900 -0.413 0.000 0.965 962 Y CA -1.246 56.726 58.100 -0.212 0.000 1.078 962 Y CB 1.419 39.704 38.460 -0.291 0.000 1.193 962 Y HN -0.128 nan 8.280 nan 0.000 0.452 963 S N 1.763 117.052 115.700 -0.685 0.000 2.585 963 S HA 0.058 4.535 4.470 0.012 0.000 0.273 963 S C 0.842 175.104 174.600 -0.563 0.000 1.339 963 S CA -0.731 56.748 58.200 -1.202 0.000 1.028 963 S CB 1.242 63.532 63.200 -1.517 0.000 0.906 963 S HN 0.744 nan 8.310 nan 0.000 0.528 964 Q N 1.123 120.624 119.800 -0.499 0.000 2.096 964 Q HA -0.221 4.126 4.340 0.012 0.000 0.204 964 Q C 2.220 178.090 176.000 -0.218 0.000 0.982 964 Q CA 2.041 57.689 55.803 -0.258 0.000 0.850 964 Q CB -0.590 28.038 28.738 -0.183 0.000 0.901 964 Q HN 0.995 nan 8.270 nan 0.000 0.422 965 Q N 0.617 120.257 119.800 -0.266 0.000 2.084 965 Q HA -0.221 4.126 4.340 0.012 0.000 0.202 965 Q C 2.161 178.051 176.000 -0.182 0.000 0.978 965 Q CA 1.554 57.252 55.803 -0.174 0.000 0.844 965 Q CB -0.001 28.649 28.738 -0.147 0.000 0.898 965 Q HN 0.414 nan 8.270 nan 0.000 0.426 966 Q N 0.153 119.804 119.800 -0.248 0.000 2.020 966 Q HA -0.186 4.161 4.340 0.012 0.000 0.202 966 Q C 2.267 178.130 176.000 -0.228 0.000 0.982 966 Q CA 1.531 57.196 55.803 -0.230 0.000 0.838 966 Q CB -0.166 28.403 28.738 -0.282 0.000 0.899 966 Q HN 0.512 nan 8.270 nan 0.000 0.423 967 L N 0.142 121.228 121.223 -0.228 0.000 2.013 967 L HA -0.271 4.076 4.340 0.012 0.000 0.212 967 L C 2.784 179.517 176.870 -0.229 0.000 1.073 967 L CA 1.449 56.157 54.840 -0.221 0.000 0.753 967 L CB -0.433 41.535 42.059 -0.151 0.000 0.890 967 L HN 0.426 nan 8.230 nan 0.000 0.432 968 M N -0.795 118.700 119.600 -0.174 0.000 2.202 968 M HA -0.228 4.259 4.480 0.012 0.000 0.262 968 M C 1.787 177.999 176.300 -0.147 0.000 1.063 968 M CA 1.773 56.987 55.300 -0.145 0.000 1.097 968 M CB -0.102 32.434 32.600 -0.106 0.000 1.382 968 M HN 0.275 nan 8.290 nan 0.000 0.413 969 E N -1.427 118.688 120.200 -0.141 0.000 2.452 969 E HA 0.041 4.398 4.350 0.012 0.000 0.197 969 E C 0.011 176.547 176.600 -0.108 0.000 1.022 969 E CA 0.113 56.451 56.400 -0.103 0.000 0.890 969 E CB 0.459 30.113 29.700 -0.078 0.000 0.918 969 E HN 0.295 nan 8.360 nan 0.000 0.496 970 T N 0.229 114.684 114.554 -0.165 0.000 2.882 970 T HA 0.094 4.451 4.350 0.012 0.000 0.287 970 T C 1.212 175.805 174.700 -0.178 0.000 0.992 970 T CA -0.279 61.728 62.100 -0.156 0.000 1.076 970 T CB 1.665 70.409 68.868 -0.206 0.000 0.961 970 T HN 0.058 nan 8.240 nan 0.000 0.490 971 S N 1.499 117.170 115.700 -0.049 0.000 2.470 971 S HA 0.103 4.580 4.470 0.012 0.000 0.222 971 S C 0.258 174.810 174.600 -0.080 0.000 1.024 971 S CA 0.223 58.431 58.200 0.012 0.000 0.931 971 S CB -0.165 63.162 63.200 0.211 0.000 0.791 971 S HN 0.756 nan 8.310 nan 0.000 0.513 972 H N 0.180 119.274 119.070 0.039 0.000 2.851 972 H HA 0.523 5.087 4.556 0.012 0.000 0.372 972 H C 0.928 176.274 175.328 0.030 0.000 1.158 972 H CA -0.754 55.393 56.048 0.166 0.000 1.159 972 H CB 1.464 31.378 29.762 0.253 0.000 1.757 972 H HN 0.089 nan 8.280 nan 0.000 0.546 973 R N 1.434 122.081 120.500 0.245 0.000 2.115 973 R HA -0.141 4.206 4.340 0.012 0.000 0.230 973 R C 1.115 177.451 176.300 0.061 0.000 1.111 973 R CA 1.733 57.894 56.100 0.101 0.000 0.976 973 R CB -0.402 29.988 30.300 0.149 0.000 0.870 973 R HN 0.797 nan 8.270 nan 0.000 0.445 974 H N 0.899 119.987 119.070 0.030 0.000 2.545 974 H HA 0.048 4.611 4.556 0.012 0.000 0.282 974 H C 1.505 176.761 175.328 -0.121 0.000 1.020 974 H CA 0.618 56.644 56.048 -0.038 0.000 1.243 974 H CB -0.161 29.583 29.762 -0.030 0.000 1.377 974 H HN 0.283 nan 8.280 nan 0.000 0.581 975 L N 0.801 121.615 121.223 -0.682 0.000 2.558 975 L HA 0.182 4.529 4.340 0.012 0.000 0.225 975 L C 0.675 177.379 176.870 -0.277 0.000 1.128 975 L CA -0.096 54.400 54.840 -0.574 0.000 0.868 975 L CB 0.122 41.884 42.059 -0.495 0.000 1.006 975 L HN 0.091 nan 8.230 nan 0.000 0.454 976 L N 0.955 122.014 121.223 -0.273 0.000 2.426 976 L HA 0.066 4.413 4.340 0.012 0.000 0.271 976 L C 0.287 177.084 176.870 -0.121 0.000 1.169 976 L CA 0.084 54.723 54.840 -0.335 0.000 0.836 976 L CB 0.295 41.911 42.059 -0.737 0.000 1.112 976 L HN 0.194 nan 8.230 nan 0.000 0.465 977 H N 2.270 121.304 119.070 -0.060 0.000 2.609 977 H HA 0.596 5.159 4.556 0.012 0.000 0.344 977 H C -0.697 174.750 175.328 0.199 0.000 1.040 977 H CA -1.157 54.921 56.048 0.050 0.000 1.216 977 H CB 1.280 31.037 29.762 -0.009 0.000 1.529 977 H HN 0.701 nan 8.280 nan 0.000 0.519 978 A N 4.012 126.989 122.820 0.263 0.000 2.531 978 A HA 0.090 4.417 4.320 0.012 0.000 0.236 978 A C 0.278 177.936 177.584 0.123 0.000 1.062 978 A CA -0.085 51.995 52.037 0.073 0.000 0.760 978 A CB 0.154 19.133 19.000 -0.035 0.000 0.995 978 A HN 0.895 nan 8.150 nan 0.000 0.501 979 E N 0.209 120.448 120.200 0.065 0.000 2.302 979 E HA 0.325 4.682 4.350 0.012 0.000 0.255 979 E C -0.157 176.489 176.600 0.076 0.000 1.099 979 E CA -0.718 55.774 56.400 0.153 0.000 0.929 979 E CB 0.777 30.638 29.700 0.269 0.000 1.203 979 E HN 0.811 nan 8.360 nan 0.000 0.459 980 E N 0.339 120.580 120.200 0.068 0.000 2.360 980 E HA 0.307 4.664 4.350 0.012 0.000 0.269 980 E C 0.306 176.871 176.600 -0.059 0.000 1.022 980 E CA 0.324 56.726 56.400 0.003 0.000 0.887 980 E CB 0.364 30.063 29.700 -0.000 0.000 0.990 980 E HN 0.667 nan 8.360 nan 0.000 0.426 981 G N 2.764 111.527 108.800 -0.063 0.000 2.698 981 G HA2 -0.204 3.763 3.960 0.012 0.000 0.233 981 G HA3 -0.204 3.763 3.960 0.012 0.000 0.233 981 G C -0.620 174.212 174.900 -0.112 0.000 1.352 981 G CA -0.224 44.817 45.100 -0.099 0.000 0.879 981 G HN 0.753 nan 8.290 nan 0.000 0.567 982 T N 0.038 114.503 114.554 -0.148 0.000 2.848 982 T HA 0.536 4.893 4.350 0.012 0.000 0.285 982 T C -0.755 173.777 174.700 -0.279 0.000 0.995 982 T CA -0.180 61.838 62.100 -0.137 0.000 0.970 982 T CB 1.513 70.368 68.868 -0.023 0.000 0.976 982 T HN 0.576 nan 8.240 nan 0.000 0.441 983 W N 2.851 124.055 121.300 -0.161 0.000 2.351 983 W HA 0.636 5.303 4.660 0.012 0.000 0.311 983 W C -0.377 176.012 176.519 -0.216 0.000 1.168 983 W CA -0.709 56.542 57.345 -0.157 0.000 1.200 983 W CB 0.928 30.305 29.460 -0.139 0.000 1.221 983 W HN 0.420 nan 8.180 nan 0.000 0.519 984 L N 5.232 126.439 121.223 -0.027 0.000 2.381 984 L HA 0.534 4.881 4.340 0.012 0.000 0.274 984 L C -1.142 175.623 176.870 -0.175 0.000 0.988 984 L CA -0.491 54.224 54.840 -0.209 0.000 0.824 984 L CB 1.089 42.884 42.059 -0.440 0.000 1.263 984 L HN 0.320 nan 8.230 nan 0.000 0.410 985 N N 7.126 125.712 118.700 -0.190 0.000 2.479 985 N HA 0.463 5.210 4.740 0.012 0.000 0.261 985 N C -1.257 174.109 175.510 -0.240 0.000 0.979 985 N CA -0.231 52.709 53.050 -0.184 0.000 0.930 985 N CB 2.102 40.515 38.487 -0.123 0.000 1.172 985 N HN 0.558 nan 8.380 nan 0.000 0.499 986 I N 1.917 122.293 120.570 -0.323 0.000 2.382 986 I HA 0.260 4.437 4.170 0.012 0.000 0.285 986 I C -0.646 175.276 176.117 -0.324 0.000 1.007 986 I CA -0.536 60.525 61.300 -0.398 0.000 1.142 986 I CB 1.458 39.043 38.000 -0.692 0.000 1.289 986 I HN 0.139 nan 8.210 nan 0.000 0.453 987 D N 4.384 124.636 120.400 -0.246 0.000 2.256 987 D HA 0.302 4.949 4.640 0.012 0.000 0.246 987 D C 1.001 177.035 176.300 -0.445 0.000 1.042 987 D CA -0.270 53.525 54.000 -0.341 0.000 0.841 987 D CB 2.587 43.279 40.800 -0.181 0.000 1.223 987 D HN 0.664 nan 8.370 nan 0.000 0.470 988 G N 0.996 109.224 108.800 -0.954 0.000 2.403 988 G HA2 -0.011 3.956 3.960 0.012 0.000 0.216 988 G HA3 -0.011 3.956 3.960 0.012 0.000 0.216 988 G C 0.092 174.259 174.900 -1.222 0.000 1.154 988 G CA 0.576 45.025 45.100 -1.086 0.000 0.784 988 G HN 0.370 nan 8.290 nan 0.000 0.538 989 F N -1.974 117.766 119.950 -0.350 0.000 2.591 989 F HA 0.598 5.132 4.527 0.012 0.000 0.309 989 F C -0.582 175.098 175.800 -0.200 0.000 1.098 989 F CA -1.164 56.708 58.000 -0.213 0.000 0.937 989 F CB 2.143 40.946 39.000 -0.329 0.000 1.250 989 F HN 0.024 nan 8.300 nan 0.000 0.447 990 H N 1.955 121.027 119.070 0.003 0.000 2.856 990 H HA 0.505 5.068 4.556 0.012 0.000 0.355 990 H C -0.844 174.511 175.328 0.044 0.000 1.079 990 H CA -0.825 55.205 56.048 -0.031 0.000 1.240 990 H CB 1.811 31.538 29.762 -0.058 0.000 1.701 990 H HN 0.773 nan 8.280 nan 0.000 0.527 991 M N 3.360 122.876 119.600 -0.139 0.000 2.248 991 M HA 0.260 4.747 4.480 0.012 0.000 0.337 991 M C 0.531 176.954 176.300 0.205 0.000 1.121 991 M CA 0.270 55.572 55.300 0.003 0.000 1.155 991 M CB 0.333 32.825 32.600 -0.179 0.000 1.514 991 M HN 0.857 nan 8.290 nan 0.000 0.452 992 G N 3.370 112.271 108.800 0.168 0.000 2.614 992 G HA2 0.236 4.203 3.960 0.012 0.000 0.239 992 G HA3 0.236 4.203 3.960 0.012 0.000 0.239 992 G C 0.713 175.616 174.900 0.005 0.000 1.240 992 G CA -0.447 44.697 45.100 0.073 0.000 0.842 992 G HN 0.988 nan 8.290 nan 0.000 0.584 993 I N -0.340 120.182 120.570 -0.080 0.000 3.030 993 I HA 0.345 4.522 4.170 0.012 0.000 0.270 993 I C 1.242 177.304 176.117 -0.092 0.000 1.211 993 I CA 0.586 61.796 61.300 -0.151 0.000 1.479 993 I CB -0.673 37.119 38.000 -0.347 0.000 1.105 993 I HN 0.916 nan 8.210 nan 0.000 0.447 994 G N 1.407 110.173 108.800 -0.056 0.000 2.598 994 G HA2 0.013 3.980 3.960 0.012 0.000 0.244 994 G HA3 0.013 3.980 3.960 0.012 0.000 0.244 994 G C 0.577 175.482 174.900 0.008 0.000 1.302 994 G CA 0.118 45.220 45.100 0.003 0.000 0.903 994 G HN 1.373 nan 8.290 nan 0.000 0.575 995 G N -2.435 106.382 108.800 0.028 0.000 2.425 995 G HA2 -0.041 3.926 3.960 0.012 0.000 0.177 995 G HA3 -0.041 3.926 3.960 0.012 0.000 0.177 995 G C 0.719 175.689 174.900 0.117 0.000 0.999 995 G CA 0.889 46.021 45.100 0.054 0.000 0.723 995 G HN 1.047 nan 8.290 nan 0.000 0.491 996 D N 1.340 121.823 120.400 0.140 0.000 2.239 996 D HA 0.101 4.748 4.640 0.012 0.000 0.202 996 D C 0.986 177.343 176.300 0.096 0.000 0.993 996 D CA 2.102 56.246 54.000 0.239 0.000 0.874 996 D CB 0.098 41.034 40.800 0.227 0.000 0.922 996 D HN 0.844 nan 8.370 nan 0.000 0.464 997 D N -3.695 116.585 120.400 -0.201 0.000 2.639 997 D HA 0.297 4.944 4.640 0.012 0.000 0.271 997 D C -0.784 175.103 176.300 -0.688 0.000 1.254 997 D CA -0.720 52.788 54.000 -0.819 0.000 0.810 997 D CB 0.842 40.573 40.800 -1.781 0.000 1.351 997 D HN -0.305 nan 8.370 nan 0.000 0.427 998 S N -0.385 114.766 115.700 -0.914 0.000 2.651 998 S HA 0.250 4.727 4.470 0.012 0.000 0.246 998 S C -0.563 174.193 174.600 0.261 0.000 1.039 998 S CA -0.641 57.523 58.200 -0.059 0.000 1.013 998 S CB -0.510 62.894 63.200 0.340 0.000 0.861 998 S HN 0.614 nan 8.310 nan 0.000 0.485 999 W N 0.900 122.169 121.300 -0.052 0.000 2.036 999 W HA 0.529 5.195 4.660 0.011 0.000 0.298 999 W C -0.068 176.411 176.519 -0.067 0.000 0.885 999 W CA -0.584 56.722 57.345 -0.065 0.000 1.488 999 W CB -0.494 28.848 29.460 -0.198 0.000 1.079 999 W HN 0.160 nan 8.180 nan 0.000 0.506 1000 S N -1.126 114.454 115.700 -0.198 0.000 2.570 1000 S HA 0.628 5.105 4.470 0.012 0.000 0.270 1000 S C -3.130 171.402 174.600 -0.114 0.000 1.149 1000 S CA -1.643 56.480 58.200 -0.127 0.000 0.837 1000 S CB 1.697 64.824 63.200 -0.121 0.000 1.124 1000 S HN -0.220 nan 8.310 nan 0.000 0.465 1001 P HA 0.189 nan 4.420 nan 0.000 0.263 1001 P C 0.394 177.731 177.300 0.061 0.000 1.195 1001 P CA 0.039 63.149 63.100 0.016 0.000 0.762 1001 P CB 0.639 32.243 31.700 -0.160 0.000 0.799 1002 S N 0.598 116.377 115.700 0.132 0.000 2.847 1002 S HA 0.139 4.616 4.470 0.012 0.000 0.254 1002 S C 0.186 174.869 174.600 0.138 0.000 1.039 1002 S CA -0.316 57.934 58.200 0.084 0.000 1.113 1002 S CB -0.284 62.913 63.200 -0.005 0.000 1.092 1002 S HN 0.105 nan 8.310 nan 0.000 0.620 1003 V N 2.885 122.925 119.914 0.211 0.000 2.508 1003 V HA 0.395 4.522 4.120 0.012 0.000 0.281 1003 V C 0.858 177.102 176.094 0.250 0.000 1.041 1003 V CA -0.335 62.082 62.300 0.195 0.000 1.016 1003 V CB 1.016 32.923 31.823 0.139 0.000 0.984 1003 V HN 0.510 nan 8.190 nan 0.000 0.478 1004 S N 3.919 119.777 115.700 0.262 0.000 2.572 1004 S HA 0.317 4.794 4.470 0.012 0.000 0.279 1004 S C 1.541 176.291 174.600 0.251 0.000 1.341 1004 S CA 0.051 58.401 58.200 0.251 0.000 1.043 1004 S CB 1.130 64.501 63.200 0.285 0.000 0.887 1004 S HN 1.015 nan 8.310 nan 0.000 0.516 1005 A N 3.718 126.642 122.820 0.174 0.000 1.927 1005 A HA -0.177 4.150 4.320 0.012 0.000 0.220 1005 A C 2.019 179.646 177.584 0.073 0.000 1.185 1005 A CA 1.994 54.117 52.037 0.144 0.000 0.639 1005 A CB -0.817 18.243 19.000 0.100 0.000 0.820 1005 A HN 0.985 nan 8.150 nan 0.000 0.451 1006 E N -1.178 119.009 120.200 -0.022 0.000 2.409 1006 E HA -0.128 4.229 4.350 0.012 0.000 0.198 1006 E C 0.795 177.202 176.600 -0.321 0.000 1.024 1006 E CA 0.811 57.090 56.400 -0.202 0.000 0.861 1006 E CB -0.378 29.106 29.700 -0.361 0.000 0.788 1006 E HN 0.691 nan 8.360 nan 0.000 0.521 1007 F N 1.364 121.369 119.950 0.092 0.000 2.653 1007 F HA 0.235 4.768 4.527 0.011 0.000 0.304 1007 F C 0.712 176.558 175.800 0.076 0.000 1.092 1007 F CA -0.469 57.587 58.000 0.094 0.000 1.279 1007 F CB 0.548 39.605 39.000 0.095 0.000 1.044 1007 F HN -0.181 nan 8.300 nan 0.000 0.564 1008 Q N 1.588 121.502 119.800 0.190 0.000 2.261 1008 Q HA 0.358 4.705 4.340 0.012 0.000 0.252 1008 Q C -0.274 175.758 176.000 0.052 0.000 0.915 1008 Q CA -0.397 55.491 55.803 0.142 0.000 0.915 1008 Q CB 1.727 30.630 28.738 0.275 0.000 1.204 1008 Q HN 0.259 nan 8.270 nan 0.000 0.421 1009 L N 2.681 123.924 121.223 0.033 0.000 2.404 1009 L HA 0.104 4.451 4.340 0.012 0.000 0.277 1009 L C 0.475 177.323 176.870 -0.037 0.000 1.184 1009 L CA -0.053 54.786 54.840 -0.001 0.000 1.013 1009 L CB -0.340 41.599 42.059 -0.200 0.000 1.318 1009 L HN 0.719 nan 8.230 nan 0.000 0.435 1010 S N -0.690 114.928 115.700 -0.137 0.000 2.754 1010 S HA 0.217 4.694 4.470 0.012 0.000 0.247 1010 S C 1.382 175.920 174.600 -0.102 0.000 1.031 1010 S CA 0.101 58.044 58.200 -0.427 0.000 1.014 1010 S CB 0.954 63.625 63.200 -0.882 0.000 0.918 1010 S HN 0.538 nan 8.310 nan 0.000 0.519 1011 A N 1.559 124.361 122.820 -0.031 0.000 2.015 1011 A HA 0.471 4.798 4.320 0.012 0.000 0.219 1011 A C 2.087 179.524 177.584 -0.244 0.000 1.163 1011 A CA 1.362 53.224 52.037 -0.291 0.000 0.646 1011 A CB -1.147 17.436 19.000 -0.695 0.000 0.806 1011 A HN 1.571 nan 8.150 nan 0.000 0.448 1012 G N -1.482 107.264 108.800 -0.090 0.000 2.579 1012 G HA2 -0.266 3.701 3.960 0.012 0.000 0.222 1012 G HA3 -0.266 3.701 3.960 0.012 0.000 0.222 1012 G C 0.420 175.304 174.900 -0.025 0.000 1.201 1012 G CA 0.294 45.393 45.100 -0.002 0.000 0.710 1012 G HN 0.670 nan 8.290 nan 0.000 0.516 1013 R N -0.268 120.093 120.500 -0.232 0.000 2.513 1013 R HA 0.663 5.010 4.340 0.012 0.000 0.301 1013 R C -1.556 174.514 176.300 -0.384 0.000 0.968 1013 R CA -0.552 55.459 56.100 -0.148 0.000 0.872 1013 R CB 1.411 31.670 30.300 -0.068 0.000 1.177 1013 R HN 0.247 nan 8.270 nan 0.000 0.444 1014 Y N 0.788 121.087 120.300 -0.002 0.000 2.409 1014 Y HA 0.320 4.877 4.550 0.012 0.000 0.343 1014 Y C -0.202 175.824 175.900 0.209 0.000 0.973 1014 Y CA -0.772 57.282 58.100 -0.077 0.000 1.064 1014 Y CB 1.923 40.193 38.460 -0.317 0.000 1.207 1014 Y HN 0.568 nan 8.280 nan 0.000 0.452 1015 H N 3.444 122.739 119.070 0.374 0.000 2.538 1015 H HA 0.600 5.163 4.556 0.012 0.000 0.353 1015 H C -1.653 174.069 175.328 0.656 0.000 1.109 1015 H CA -0.853 55.438 56.048 0.405 0.000 1.192 1015 H CB 1.108 31.004 29.762 0.223 0.000 1.555 1015 H HN 0.597 nan 8.280 nan 0.000 0.518 1016 Y N 1.407 121.381 120.300 -0.543 0.000 2.581 1016 Y HA 0.454 5.012 4.550 0.012 0.000 0.337 1016 Y C -2.132 173.564 175.900 -0.339 0.000 1.108 1016 Y CA -1.103 56.852 58.100 -0.241 0.000 1.033 1016 Y CB 1.367 39.858 38.460 0.051 0.000 1.318 1016 Y HN 0.695 nan 8.280 nan 0.000 0.459 1017 Q N 3.701 123.516 119.800 0.025 0.000 2.315 1017 Q HA 0.787 5.134 4.340 0.012 0.000 0.273 1017 Q C -1.837 174.272 176.000 0.181 0.000 1.053 1017 Q CA -0.970 54.856 55.803 0.038 0.000 0.817 1017 Q CB 3.205 32.018 28.738 0.125 0.000 1.326 1017 Q HN 0.759 nan 8.270 nan 0.000 0.423 1018 L N 0.733 122.042 121.223 0.144 0.000 2.350 1018 L HA 0.831 5.178 4.340 0.012 0.000 0.260 1018 L C -0.846 176.155 176.870 0.218 0.000 1.015 1018 L CA -1.364 53.601 54.840 0.208 0.000 0.821 1018 L CB 2.317 44.475 42.059 0.165 0.000 1.370 1018 L HN 0.374 nan 8.230 nan 0.000 0.416 1019 V N 0.531 120.602 119.914 0.262 0.000 2.483 1019 V HA 0.397 4.524 4.120 0.012 0.000 0.297 1019 V C -1.376 174.909 176.094 0.318 0.000 1.027 1019 V CA -0.341 62.116 62.300 0.261 0.000 0.855 1019 V CB 2.013 33.959 31.823 0.206 0.000 0.995 1019 V HN 0.625 nan 8.190 nan 0.000 0.424 1020 W N 7.162 128.530 121.300 0.113 0.000 2.475 1020 W HA 0.737 5.404 4.660 0.012 0.000 0.317 1020 W C -0.267 176.262 176.519 0.017 0.000 1.046 1020 W CA -1.138 56.198 57.345 -0.015 0.000 1.215 1020 W CB 1.473 30.958 29.460 0.042 0.000 1.335 1020 W HN 0.860 nan 8.180 nan 0.000 0.471 1021 C N 4.103 123.660 119.300 0.429 0.000 3.340 1021 C HA 0.633 5.100 4.460 0.012 0.000 0.333 1021 C C -0.035 175.073 174.990 0.197 0.000 1.464 1021 C CA -0.714 58.477 59.018 0.288 0.000 1.337 1021 C CB 1.666 29.521 27.740 0.191 0.000 1.740 1021 C HN 0.773 nan 8.230 nan 0.000 0.450 1022 Q N 1.034 120.900 119.800 0.110 0.000 2.514 1022 Q HA 0.797 5.144 4.340 0.012 0.000 0.169 1022 Q C -0.976 175.023 176.000 -0.001 0.000 1.027 1022 Q CA -0.222 55.590 55.803 0.016 0.000 0.988 1022 Q CB 1.376 30.098 28.738 -0.025 0.000 2.123 1022 Q HN 0.886 nan 8.270 nan 0.000 0.480 1023 K N 0.000 120.378 120.400 -0.037 0.000 2.780 1023 K HA 0.000 4.327 4.320 0.012 0.000 0.191 1023 K CA 0.000 56.269 56.287 -0.030 0.000 0.838 1023 K CB 0.000 32.492 32.500 -0.013 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543