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 3dym_1_C 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 ANIETEGMVP 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 0.000 176.093 176.300 -0.345 0.000 0.893 13 R CA 0.000 55.968 56.100 -0.220 0.000 0.921 13 R CB 0.000 30.175 30.300 -0.209 0.000 0.687 14 R N 1.461 121.641 120.500 -0.534 0.000 3.322 14 R HA -0.179 4.178 4.340 0.028 0.000 0.253 14 R C -0.265 175.450 176.300 -0.975 0.000 0.987 14 R CA 0.838 56.212 56.100 -1.210 0.000 0.666 14 R CB -1.233 28.523 30.300 -0.906 0.000 1.072 14 R HN 0.322 nan 8.270 nan 0.000 0.447 15 D N -0.153 119.880 120.400 -0.612 0.000 2.228 15 D HA -0.196 4.461 4.640 0.028 0.000 0.203 15 D C 1.590 177.788 176.300 -0.171 0.000 0.988 15 D CA 1.848 55.590 54.000 -0.430 0.000 0.864 15 D CB -0.147 40.197 40.800 -0.760 0.000 0.928 15 D HN 0.731 nan 8.370 nan 0.000 0.469 16 W N 1.257 122.577 121.300 0.033 0.000 3.204 16 W HA 0.197 4.873 4.660 0.027 0.000 0.249 16 W C 0.338 176.949 176.519 0.154 0.000 1.322 16 W CA -0.290 57.172 57.345 0.195 0.000 1.593 16 W CB -0.245 29.378 29.460 0.270 0.000 1.122 16 W HN -0.199 nan 8.180 nan 0.000 0.710 17 E N 1.485 121.522 120.200 -0.271 0.000 3.646 17 E HA 0.066 4.433 4.350 0.028 0.000 0.211 17 E C -0.818 175.640 176.600 -0.237 0.000 1.034 17 E CA -0.248 56.060 56.400 -0.154 0.000 1.341 17 E CB -0.196 29.425 29.700 -0.130 0.000 1.202 17 E HN 0.047 nan 8.360 nan 0.000 0.447 18 N N 1.044 119.626 118.700 -0.196 0.000 2.812 18 N HA 0.098 4.855 4.740 0.028 0.000 0.262 18 N C -2.446 172.911 175.510 -0.255 0.000 1.241 18 N CA -1.662 51.231 53.050 -0.262 0.000 0.854 18 N CB 1.443 39.791 38.487 -0.232 0.000 1.506 18 N HN -0.150 nan 8.380 nan 0.000 0.576 19 P HA 0.058 nan 4.420 nan 0.000 0.230 19 P C 1.165 178.219 177.300 -0.410 0.000 1.158 19 P CA 0.666 63.424 63.100 -0.571 0.000 0.769 19 P CB 0.134 30.967 31.700 -1.446 0.000 0.807 20 G N -0.173 108.421 108.800 -0.343 0.000 2.448 20 G HA2 -0.026 3.951 3.960 0.028 0.000 0.218 20 G HA3 -0.026 3.951 3.960 0.028 0.000 0.218 20 G C 0.428 175.240 174.900 -0.145 0.000 1.135 20 G CA 0.241 45.200 45.100 -0.236 0.000 0.784 20 G HN 0.235 nan 8.290 nan 0.000 0.543 21 V N 1.680 121.523 119.914 -0.118 0.000 2.304 21 V HA 0.304 4.441 4.120 0.028 0.000 0.278 21 V C 0.850 176.988 176.094 0.073 0.000 1.018 21 V CA 0.198 62.479 62.300 -0.032 0.000 0.814 21 V CB 1.266 33.050 31.823 -0.066 0.000 1.021 21 V HN 0.354 nan 8.190 nan 0.000 0.440 22 T N 0.857 115.454 114.554 0.073 0.000 3.054 22 T HA 0.372 4.738 4.350 0.028 0.000 0.255 22 T C 0.223 174.987 174.700 0.106 0.000 1.035 22 T CA -0.031 62.129 62.100 0.100 0.000 0.941 22 T CB 0.240 69.118 68.868 0.016 0.000 1.026 22 T HN 0.691 nan 8.240 nan 0.000 0.533 23 Q N 0.261 120.167 119.800 0.178 0.000 2.776 23 Q HA 0.667 5.024 4.340 0.028 0.000 0.289 23 Q C -2.280 173.865 176.000 0.241 0.000 0.912 23 Q CA -1.082 54.822 55.803 0.169 0.000 0.789 23 Q CB 0.810 29.559 28.738 0.018 0.000 1.498 23 Q HN 0.211 nan 8.270 nan 0.000 0.408 24 L N 1.677 123.071 121.223 0.285 0.000 2.438 24 L HA 0.619 4.976 4.340 0.028 0.000 0.270 24 L C -0.546 176.458 176.870 0.224 0.000 0.972 24 L CA -0.910 54.099 54.840 0.282 0.000 0.831 24 L CB 1.906 44.245 42.059 0.468 0.000 1.273 24 L HN 0.839 nan 8.230 nan 0.000 0.405 25 N N 0.675 119.471 118.700 0.160 0.000 2.753 25 N HA -0.210 4.547 4.740 0.028 0.000 0.251 25 N C 0.230 175.812 175.510 0.119 0.000 1.097 25 N CA 0.855 53.984 53.050 0.132 0.000 0.786 25 N CB -0.770 37.751 38.487 0.057 0.000 1.137 25 N HN 0.667 nan 8.380 nan 0.000 0.566 26 R N 0.819 121.314 120.500 -0.010 0.000 2.539 26 R HA 0.419 4.775 4.340 0.028 0.000 0.275 26 R C 0.492 176.642 176.300 -0.250 0.000 1.077 26 R CA -0.330 55.531 56.100 -0.399 0.000 1.097 26 R CB 0.542 30.614 30.300 -0.381 0.000 1.018 26 R HN 0.117 nan 8.270 nan 0.000 0.483 27 L N 2.760 123.805 121.223 -0.296 0.000 2.439 27 L HA 0.398 4.754 4.340 0.028 0.000 0.261 27 L C 0.598 177.412 176.870 -0.092 0.000 1.153 27 L CA -0.832 53.936 54.840 -0.119 0.000 0.808 27 L CB 0.915 42.944 42.059 -0.051 0.000 1.126 27 L HN 0.732 nan 8.230 nan 0.000 0.460 28 A N 1.206 124.015 122.820 -0.019 0.000 2.520 28 A HA 0.464 4.800 4.320 0.028 0.000 0.235 28 A C 0.391 177.982 177.584 0.012 0.000 1.065 28 A CA 0.082 52.117 52.037 -0.002 0.000 0.764 28 A CB 0.068 19.091 19.000 0.038 0.000 1.002 28 A HN 0.817 nan 8.150 nan 0.000 0.502 29 A N 1.447 124.228 122.820 -0.065 0.000 2.332 29 A HA 0.678 5.015 4.320 0.028 0.000 0.258 29 A C 0.097 177.603 177.584 -0.129 0.000 1.087 29 A CA 0.542 52.467 52.037 -0.188 0.000 0.802 29 A CB -0.056 18.834 19.000 -0.184 0.000 1.042 29 A HN 2.117 nan 8.150 nan 0.000 0.489 30 H N -2.512 116.413 119.070 -0.241 0.000 2.951 30 H HA 0.561 5.134 4.556 0.028 0.000 0.292 30 H C -3.478 171.567 175.328 -0.473 0.000 1.412 30 H CA -1.623 54.212 56.048 -0.355 0.000 1.206 30 H CB -0.105 29.353 29.762 -0.506 0.000 1.862 30 H HN 0.378 nan 8.280 nan 0.000 0.502 31 P HA 0.177 nan 4.420 nan 0.000 0.271 31 P C -2.554 174.582 177.300 -0.274 0.000 1.244 31 P CA -1.135 61.762 63.100 -0.339 0.000 0.793 31 P CB -0.204 31.191 31.700 -0.509 0.000 0.984 32 P HA 0.055 nan 4.420 nan 0.000 0.263 32 P C -0.704 176.767 177.300 0.285 0.000 1.195 32 P CA 1.019 64.145 63.100 0.044 0.000 0.762 32 P CB -0.081 31.690 31.700 0.118 0.000 0.799 33 F N 1.470 121.527 119.950 0.179 0.000 2.497 33 F HA 0.595 5.139 4.527 0.028 0.000 0.331 33 F C 1.115 176.847 175.800 -0.113 0.000 1.060 33 F CA -0.923 57.120 58.000 0.072 0.000 0.989 33 F CB 1.962 40.959 39.000 -0.004 0.000 1.245 33 F HN 0.225 nan 8.300 nan 0.000 0.486 34 A N 0.274 123.020 122.820 -0.123 0.000 2.710 34 A HA 0.207 4.544 4.320 0.028 0.000 0.212 34 A C 0.519 177.805 177.584 -0.497 0.000 1.358 34 A CA 0.391 52.118 52.037 -0.516 0.000 1.048 34 A CB -0.211 18.007 19.000 -1.303 0.000 1.345 34 A HN 0.722 nan 8.150 nan 0.000 0.583 35 S N 0.715 116.233 115.700 -0.302 0.000 3.405 35 S HA -0.155 4.332 4.470 0.028 0.000 0.373 35 S C 0.004 174.537 174.600 -0.113 0.000 0.939 35 S CA 0.460 58.540 58.200 -0.200 0.000 1.295 35 S CB -1.510 61.564 63.200 -0.210 0.000 0.919 35 S HN 0.451 nan 8.310 nan 0.000 0.535 36 W N 2.222 123.506 121.300 -0.026 0.000 2.170 36 W HA 0.252 4.928 4.660 0.027 0.000 0.336 36 W C 1.360 177.865 176.519 -0.023 0.000 1.283 36 W CA -0.653 56.685 57.345 -0.011 0.000 1.224 36 W CB 0.304 29.758 29.460 -0.010 0.000 1.132 36 W HN 0.374 nan 8.180 nan 0.000 0.571 37 R N 1.740 122.373 120.500 0.222 0.000 2.509 37 R HA 0.068 4.424 4.340 0.028 0.000 0.300 37 R C 0.000 176.364 176.300 0.106 0.000 0.985 37 R CA -0.073 56.099 56.100 0.122 0.000 1.092 37 R CB -0.206 30.139 30.300 0.075 0.000 1.237 37 R HN 0.361 nan 8.270 nan 0.000 0.546 38 N N 0.232 119.013 118.700 0.135 0.000 2.430 38 N HA 0.108 4.865 4.740 0.028 0.000 0.290 38 N C -0.066 175.425 175.510 -0.031 0.000 1.063 38 N CA 0.004 53.082 53.050 0.046 0.000 0.883 38 N CB 1.783 40.296 38.487 0.043 0.000 1.465 38 N HN -0.251 nan 8.380 nan 0.000 0.493 39 S N 2.570 118.228 115.700 -0.070 0.000 2.382 39 S HA -0.179 4.307 4.470 0.028 0.000 0.228 39 S C 1.415 175.855 174.600 -0.267 0.000 1.027 39 S CA 1.225 59.340 58.200 -0.143 0.000 0.991 39 S CB -0.063 63.084 63.200 -0.088 0.000 0.823 39 S HN 0.774 nan 8.310 nan 0.000 0.469 40 E N 1.652 121.713 120.200 -0.232 0.000 2.153 40 E HA -0.150 4.216 4.350 0.028 0.000 0.194 40 E C 1.784 178.168 176.600 -0.360 0.000 0.988 40 E CA 1.298 57.522 56.400 -0.294 0.000 0.811 40 E CB -0.214 29.366 29.700 -0.200 0.000 0.746 40 E HN 0.616 nan 8.360 nan 0.000 0.466 41 E N -0.150 119.843 120.200 -0.346 0.000 2.072 41 E HA -0.143 4.224 4.350 0.028 0.000 0.191 41 E C 2.056 178.053 176.600 -1.005 0.000 0.985 41 E CA 0.933 57.068 56.400 -0.442 0.000 0.801 41 E CB -0.207 29.363 29.700 -0.216 0.000 0.750 41 E HN 0.390 nan 8.360 nan 0.000 0.452 42 A N 1.619 123.606 122.820 -1.388 0.000 1.933 42 A HA -0.201 4.135 4.320 0.028 0.000 0.218 42 A C 2.113 179.081 177.584 -1.026 0.000 1.175 42 A CA 1.438 52.285 52.037 -1.985 0.000 0.628 42 A CB -0.444 17.965 19.000 -0.985 0.000 0.814 42 A HN 0.073 nan 8.150 nan 0.000 0.444 43 R N -0.245 119.848 120.500 -0.679 0.000 2.096 43 R HA -0.125 4.232 4.340 0.028 0.000 0.235 43 R C 1.662 177.698 176.300 -0.440 0.000 1.127 43 R CA 1.976 57.747 56.100 -0.548 0.000 0.968 43 R CB -0.332 29.547 30.300 -0.701 0.000 0.861 43 R HN 0.622 nan 8.270 nan 0.000 0.440 44 T N -2.658 111.653 114.554 -0.406 0.000 3.122 44 T HA 0.086 4.452 4.350 0.028 0.000 0.250 44 T C 0.109 174.718 174.700 -0.151 0.000 1.067 44 T CA 0.316 62.270 62.100 -0.245 0.000 0.966 44 T CB 0.212 68.961 68.868 -0.198 0.000 1.002 44 T HN 0.307 nan 8.240 nan 0.000 0.542 45 D N 0.894 121.159 120.400 -0.225 0.000 2.800 45 D HA -0.160 4.497 4.640 0.028 0.000 0.232 45 D C 0.026 176.436 176.300 0.183 0.000 1.137 45 D CA 0.388 54.398 54.000 0.016 0.000 0.718 45 D CB -1.276 39.587 40.800 0.105 0.000 1.084 45 D HN 0.554 nan 8.370 nan 0.000 0.432 46 R N 0.265 120.829 120.500 0.107 0.000 2.577 46 R HA 0.502 4.859 4.340 0.028 0.000 0.269 46 R C -1.952 174.630 176.300 0.471 0.000 1.084 46 R CA -1.308 54.917 56.100 0.208 0.000 1.163 46 R CB 0.416 30.765 30.300 0.083 0.000 1.100 46 R HN 0.077 nan 8.270 nan 0.000 0.547 47 P HA -0.048 nan 4.420 nan 0.000 0.268 47 P C -0.859 176.626 177.300 0.309 0.000 1.208 47 P CA 0.078 63.337 63.100 0.265 0.000 0.777 47 P CB 0.771 32.566 31.700 0.159 0.000 0.875 48 S N 0.732 116.484 115.700 0.087 0.000 2.482 48 S HA 0.168 4.655 4.470 0.028 0.000 0.303 48 S C 0.950 175.580 174.600 0.050 0.000 1.091 48 S CA -0.541 57.646 58.200 -0.022 0.000 1.057 48 S CB 0.650 63.505 63.200 -0.575 0.000 1.031 48 S HN 0.178 nan 8.310 nan 0.000 0.485 49 Q N 2.547 122.414 119.800 0.111 0.000 2.291 49 Q HA -0.036 4.321 4.340 0.028 0.000 0.205 49 Q C 1.235 177.379 176.000 0.240 0.000 0.970 49 Q CA 1.368 57.270 55.803 0.165 0.000 0.876 49 Q CB -0.267 28.572 28.738 0.169 0.000 0.935 49 Q HN 0.687 nan 8.270 nan 0.000 0.455 50 Q N -0.401 119.455 119.800 0.093 0.000 2.451 50 Q HA 0.105 4.462 4.340 0.028 0.000 0.206 50 Q C -0.194 175.855 176.000 0.082 0.000 0.947 50 Q CA 0.158 55.963 55.803 0.003 0.000 0.937 50 Q CB 0.336 28.986 28.738 -0.146 0.000 1.025 50 Q HN 0.081 nan 8.270 nan 0.000 0.511 51 L N 0.853 122.133 121.223 0.095 0.000 2.345 51 L HA 0.432 4.788 4.340 0.028 0.000 0.274 51 L C -1.172 175.787 176.870 0.148 0.000 0.999 51 L CA -0.363 54.533 54.840 0.093 0.000 0.849 51 L CB 0.942 42.966 42.059 -0.058 0.000 1.220 51 L HN -0.115 nan 8.230 nan 0.000 0.422 52 R N 2.555 123.183 120.500 0.213 0.000 2.664 52 R HA 0.592 4.949 4.340 0.028 0.000 0.286 52 R C -0.575 175.754 176.300 0.048 0.000 0.967 52 R CA -0.788 55.381 56.100 0.115 0.000 0.933 52 R CB 2.060 32.397 30.300 0.063 0.000 1.146 52 R HN 0.646 nan 8.270 nan 0.000 0.468 53 S N 1.892 117.608 115.700 0.026 0.000 2.525 53 S HA 0.272 4.759 4.470 0.028 0.000 0.278 53 S C 0.661 175.261 174.600 0.000 0.000 1.234 53 S CA -0.619 57.589 58.200 0.013 0.000 1.058 53 S CB 0.532 63.750 63.200 0.029 0.000 0.983 53 S HN 0.565 nan 8.310 nan 0.000 0.495 54 L N 3.422 124.646 121.223 0.001 0.000 2.728 54 L HA 0.290 4.647 4.340 0.028 0.000 0.238 54 L C 0.261 177.279 176.870 0.247 0.000 1.143 54 L CA -0.311 54.546 54.840 0.027 0.000 0.937 54 L CB -0.233 41.776 42.059 -0.083 0.000 1.225 54 L HN 0.522 nan 8.230 nan 0.000 0.507 55 N N 0.961 119.753 118.700 0.154 0.000 2.415 55 N HA 0.450 5.207 4.740 0.028 0.000 0.248 55 N C 0.705 176.352 175.510 0.228 0.000 1.271 55 N CA 1.139 54.296 53.050 0.179 0.000 0.913 55 N CB 1.113 39.634 38.487 0.058 0.000 1.129 55 N HN 0.276 nan 8.380 nan 0.000 0.444 56 G N 0.212 109.155 108.800 0.238 0.000 2.217 56 G HA2 -0.118 3.859 3.960 0.028 0.000 0.173 56 G HA3 -0.118 3.859 3.960 0.028 0.000 0.173 56 G C -1.332 173.772 174.900 0.341 0.000 1.324 56 G CA -0.735 44.494 45.100 0.215 0.000 1.225 56 G HN 0.495 nan 8.290 nan 0.000 0.494 57 E N 0.066 120.445 120.200 0.299 0.000 2.200 57 E HA 0.511 4.878 4.350 0.028 0.000 0.283 57 E C -0.991 175.871 176.600 0.436 0.000 1.015 57 E CA -0.317 56.280 56.400 0.327 0.000 0.819 57 E CB 0.964 30.773 29.700 0.182 0.000 1.081 57 E HN 0.369 nan 8.360 nan 0.000 0.397 58 W N 1.723 123.118 121.300 0.157 0.000 2.894 58 W HA 0.430 5.107 4.660 0.028 0.000 0.345 58 W C -0.074 176.585 176.519 0.232 0.000 1.152 58 W CA -0.739 56.731 57.345 0.209 0.000 1.089 58 W CB 0.815 30.450 29.460 0.292 0.000 1.454 58 W HN 0.184 nan 8.180 nan 0.000 0.589 59 R N 1.585 122.384 120.500 0.498 0.000 2.407 59 R HA 0.563 4.920 4.340 0.028 0.000 0.303 59 R C -1.488 175.084 176.300 0.453 0.000 0.981 59 R CA -0.835 55.493 56.100 0.379 0.000 0.905 59 R CB 1.111 31.575 30.300 0.274 0.000 1.099 59 R HN 0.471 nan 8.270 nan 0.000 0.459 60 F N 0.719 120.732 119.950 0.105 0.000 2.581 60 F HA 0.630 5.173 4.527 0.028 0.000 0.311 60 F C -1.495 174.161 175.800 -0.239 0.000 1.113 60 F CA -0.604 57.310 58.000 -0.143 0.000 0.935 60 F CB 1.946 40.759 39.000 -0.312 0.000 1.232 60 F HN 0.620 nan 8.300 nan 0.000 0.445 61 A N 4.645 126.656 122.820 -1.348 0.000 2.449 61 A HA 0.597 4.934 4.320 0.028 0.000 0.302 61 A C -2.422 174.155 177.584 -1.678 0.000 1.048 61 A CA -0.545 50.789 52.037 -1.173 0.000 0.708 61 A CB 0.810 19.442 19.000 -0.613 0.000 1.274 61 A HN 0.939 nan 8.150 nan 0.000 0.410 62 W N 2.531 122.904 121.300 -1.545 0.000 2.520 62 W HA 0.750 5.426 4.660 0.028 0.000 0.323 62 W C -1.783 174.010 176.519 -1.210 0.000 1.062 62 W CA -0.337 56.251 57.345 -1.263 0.000 1.215 62 W CB 1.109 30.118 29.460 -0.752 0.000 1.340 62 W HN 0.509 nan 8.180 nan 0.000 0.516 63 F N 5.964 125.175 119.950 -1.231 0.000 2.603 63 F HA 0.402 4.945 4.527 0.028 0.000 0.317 63 F C -1.366 173.473 175.800 -1.603 0.000 1.066 63 F CA -2.151 55.267 58.000 -0.971 0.000 0.941 63 F CB 1.913 40.525 39.000 -0.647 0.000 1.291 63 F HN 0.187 nan 8.300 nan 0.000 0.472 64 P HA 0.192 nan 4.420 nan 0.000 0.235 64 P C -0.511 176.658 177.300 -0.217 0.000 1.177 64 P CA 0.639 63.471 63.100 -0.446 0.000 0.785 64 P CB 0.838 32.586 31.700 0.080 0.000 0.885 65 A N -0.330 122.367 122.820 -0.204 0.000 2.599 65 A HA 0.512 4.849 4.320 0.028 0.000 0.294 65 A C -2.458 175.013 177.584 -0.189 0.000 1.055 65 A CA -0.973 50.987 52.037 -0.129 0.000 0.683 65 A CB 0.427 19.416 19.000 -0.018 0.000 1.278 65 A HN -0.306 nan 8.150 nan 0.000 0.412 66 P HA -0.133 nan 4.420 nan 0.000 0.218 66 P C 0.754 177.948 177.300 -0.178 0.000 1.148 66 P CA 1.539 64.501 63.100 -0.232 0.000 0.822 66 P CB 0.263 31.798 31.700 -0.274 0.000 0.784 67 E N -0.264 119.885 120.200 -0.085 0.000 2.338 67 E HA -0.025 4.342 4.350 0.028 0.000 0.197 67 E C 1.965 178.480 176.600 -0.141 0.000 1.007 67 E CA 1.033 57.392 56.400 -0.068 0.000 0.849 67 E CB -0.764 28.932 29.700 -0.007 0.000 0.774 67 E HN 0.238 nan 8.360 nan 0.000 0.506 68 A N 0.204 122.898 122.820 -0.210 0.000 2.238 68 A HA 0.113 4.450 4.320 0.028 0.000 0.210 68 A C 0.653 177.883 177.584 -0.589 0.000 1.179 68 A CA -0.154 51.738 52.037 -0.242 0.000 0.827 68 A CB 0.295 19.248 19.000 -0.079 0.000 0.856 68 A HN 0.033 nan 8.150 nan 0.000 0.488 69 V N 2.572 122.026 119.914 -0.767 0.000 2.555 69 V HA 0.230 4.367 4.120 0.028 0.000 0.286 69 V C -2.197 173.552 176.094 -0.576 0.000 1.044 69 V CA -1.552 60.072 62.300 -1.126 0.000 1.026 69 V CB 0.660 31.867 31.823 -1.026 0.000 0.981 69 V HN 0.300 nan 8.190 nan 0.000 0.480 70 P HA 0.299 nan 4.420 nan 0.000 0.279 70 P C 0.133 177.368 177.300 -0.110 0.000 1.239 70 P CA -0.420 62.556 63.100 -0.208 0.000 0.789 70 P CB 1.210 32.845 31.700 -0.108 0.000 0.933 71 E N 0.787 120.940 120.200 -0.079 0.000 2.265 71 E HA -0.167 4.200 4.350 0.028 0.000 0.196 71 E C 1.935 178.513 176.600 -0.037 0.000 0.996 71 E CA 1.561 57.923 56.400 -0.063 0.000 0.832 71 E CB -0.480 29.185 29.700 -0.058 0.000 0.756 71 E HN 0.551 nan 8.360 nan 0.000 0.491 72 S N -0.091 115.605 115.700 -0.006 0.000 2.383 72 S HA -0.242 4.244 4.470 0.028 0.000 0.229 72 S C 1.850 176.472 174.600 0.037 0.000 1.030 72 S CA 0.936 59.143 58.200 0.011 0.000 1.002 72 S CB -0.729 62.486 63.200 0.025 0.000 0.829 72 S HN 0.602 nan 8.310 nan 0.000 0.467 73 W N 2.258 123.471 121.300 -0.145 0.000 2.392 73 W HA 0.044 4.721 4.660 0.027 0.000 0.279 73 W C 1.666 178.074 176.519 -0.184 0.000 1.225 73 W CA 1.065 58.323 57.345 -0.145 0.000 1.233 73 W CB -0.305 29.050 29.460 -0.175 0.000 1.122 73 W HN 0.289 nan 8.180 nan 0.000 0.561 74 L N 0.194 121.248 121.223 -0.282 0.000 2.083 74 L HA -0.180 4.177 4.340 0.028 0.000 0.209 74 L C 2.432 179.071 176.870 -0.384 0.000 1.083 74 L CA 1.388 55.886 54.840 -0.571 0.000 0.752 74 L CB -0.810 40.938 42.059 -0.519 0.000 0.899 74 L HN -0.100 nan 8.230 nan 0.000 0.433 75 E N -0.731 119.338 120.200 -0.220 0.000 2.102 75 E HA 0.016 4.383 4.350 0.028 0.000 0.190 75 E C 0.323 176.849 176.600 -0.124 0.000 0.971 75 E CA 0.467 56.787 56.400 -0.133 0.000 0.821 75 E CB 0.232 29.888 29.700 -0.074 0.000 0.777 75 E HN 0.486 nan 8.360 nan 0.000 0.460 76 C N -0.549 118.685 119.300 -0.110 0.000 3.171 76 C HA 0.512 4.988 4.460 0.028 0.000 0.308 76 C C -0.084 174.885 174.990 -0.034 0.000 1.334 76 C CA -1.852 57.126 59.018 -0.068 0.000 1.473 76 C CB 0.948 28.676 27.740 -0.021 0.000 1.866 76 C HN 0.183 nan 8.230 nan 0.000 0.465 77 D N 0.295 120.694 120.400 -0.002 0.000 2.472 77 D HA 0.295 4.952 4.640 0.028 0.000 0.237 77 D C -0.545 175.834 176.300 0.132 0.000 1.141 77 D CA 0.321 54.365 54.000 0.073 0.000 0.875 77 D CB 0.460 41.297 40.800 0.063 0.000 1.192 77 D HN 0.454 nan 8.370 nan 0.000 0.450 78 L N 5.557 126.911 121.223 0.219 0.000 2.305 78 L HA 0.267 4.624 4.340 0.028 0.000 0.281 78 L C -1.334 175.602 176.870 0.109 0.000 1.085 78 L CA -1.433 53.510 54.840 0.172 0.000 0.813 78 L CB 1.245 43.416 42.059 0.187 0.000 1.157 78 L HN 0.488 nan 8.230 nan 0.000 0.436 79 P HA -0.150 nan 4.420 nan 0.000 0.218 79 P C 0.763 178.094 177.300 0.052 0.000 1.149 79 P CA 1.073 64.209 63.100 0.059 0.000 0.817 79 P CB 0.229 31.956 31.700 0.045 0.000 0.785 80 E N -0.086 120.142 120.200 0.046 0.000 2.347 80 E HA 0.100 4.467 4.350 0.028 0.000 0.196 80 E C 1.012 177.626 176.600 0.023 0.000 1.008 80 E CA 0.200 56.616 56.400 0.026 0.000 0.852 80 E CB -0.780 28.923 29.700 0.006 0.000 0.783 80 E HN 0.166 nan 8.360 nan 0.000 0.505 81 A N 1.567 124.409 122.820 0.037 0.000 2.507 81 A HA 0.026 4.363 4.320 0.028 0.000 0.235 81 A C 0.009 177.646 177.584 0.088 0.000 1.070 81 A CA -0.076 51.983 52.037 0.036 0.000 0.768 81 A CB 0.240 19.294 19.000 0.091 0.000 1.011 81 A HN -0.026 nan 8.150 nan 0.000 0.502 82 D N -0.042 120.442 120.400 0.139 0.000 2.387 82 D HA 0.487 5.143 4.640 0.028 0.000 0.255 82 D C -0.302 176.116 176.300 0.197 0.000 1.081 82 D CA 0.160 54.264 54.000 0.175 0.000 0.994 82 D CB 1.075 42.031 40.800 0.259 0.000 1.127 82 D HN 0.409 nan 8.370 nan 0.000 0.513 83 T N 0.504 115.157 114.554 0.163 0.000 2.749 83 T HA 0.495 4.862 4.350 0.028 0.000 0.287 83 T C 0.062 174.865 174.700 0.172 0.000 0.970 83 T CA -0.560 61.648 62.100 0.179 0.000 0.980 83 T CB 0.648 69.595 68.868 0.131 0.000 0.924 83 T HN 0.246 nan 8.240 nan 0.000 0.456 84 V N 1.479 121.533 119.914 0.233 0.000 3.141 84 V HA 0.804 4.941 4.120 0.028 0.000 0.312 84 V C -0.244 175.981 176.094 0.218 0.000 1.157 84 V CA -1.015 61.385 62.300 0.167 0.000 1.041 84 V CB 1.648 33.593 31.823 0.204 0.000 1.071 84 V HN 0.500 nan 8.190 nan 0.000 0.441 85 V N 1.654 121.669 119.914 0.168 0.000 2.649 85 V HA 0.509 4.645 4.120 0.028 0.000 0.292 85 V C -0.015 176.162 176.094 0.138 0.000 1.055 85 V CA -0.042 62.355 62.300 0.161 0.000 1.023 85 V CB 1.443 33.321 31.823 0.092 0.000 0.992 85 V HN 0.748 nan 8.190 nan 0.000 0.480 86 V N 7.085 126.999 119.914 -0.001 0.000 2.588 86 V HA 0.462 4.598 4.120 0.028 0.000 0.304 86 V C -2.314 173.659 176.094 -0.202 0.000 1.042 86 V CA -1.705 60.437 62.300 -0.263 0.000 0.877 86 V CB 2.372 33.639 31.823 -0.927 0.000 0.996 86 V HN 0.756 nan 8.190 nan 0.000 0.425 87 P HA 0.496 nan 4.420 nan 0.000 0.276 87 P C -0.794 176.423 177.300 -0.138 0.000 1.244 87 P CA -0.165 62.796 63.100 -0.231 0.000 0.801 87 P CB 1.336 32.915 31.700 -0.202 0.000 1.006 88 S N 0.080 115.706 115.700 -0.123 0.000 2.636 88 S HA 0.432 4.918 4.470 0.028 0.000 0.266 88 S C -1.275 173.249 174.600 -0.127 0.000 1.147 88 S CA -1.019 57.096 58.200 -0.141 0.000 0.815 88 S CB 0.522 63.568 63.200 -0.256 0.000 1.119 88 S HN 0.341 nan 8.310 nan 0.000 0.470 89 N N 0.941 119.508 118.700 -0.223 0.000 2.424 89 N HA 0.423 5.179 4.740 0.028 0.000 0.271 89 N C 0.435 175.752 175.510 -0.322 0.000 0.985 89 N CA -0.843 52.041 53.050 -0.277 0.000 0.921 89 N CB 0.759 39.061 38.487 -0.309 0.000 1.149 89 N HN 0.850 nan 8.380 nan 0.000 0.492 90 W N 2.594 123.734 121.300 -0.265 0.000 2.421 90 W HA -0.092 4.585 4.660 0.028 0.000 0.270 90 W C 1.014 177.503 176.519 -0.051 0.000 1.233 90 W CA 0.780 57.960 57.345 -0.275 0.000 1.226 90 W CB -0.320 28.943 29.460 -0.327 0.000 1.121 90 W HN 0.507 nan 8.180 nan 0.000 0.579 91 Q N 0.318 120.097 119.800 -0.036 0.000 2.167 91 Q HA -0.116 4.240 4.340 0.028 0.000 0.202 91 Q C 2.178 178.130 176.000 -0.080 0.000 0.970 91 Q CA 1.733 57.525 55.803 -0.019 0.000 0.855 91 Q CB -0.551 28.037 28.738 -0.250 0.000 0.911 91 Q HN 0.229 nan 8.270 nan 0.000 0.438 92 M N -0.791 118.719 119.600 -0.151 0.000 2.549 92 M HA -0.075 4.421 4.480 0.028 0.000 0.260 92 M C 0.620 176.970 176.300 0.083 0.000 1.076 92 M CA 1.448 56.678 55.300 -0.116 0.000 1.090 92 M CB -0.556 31.952 32.600 -0.153 0.000 1.418 92 M HN 0.372 nan 8.290 nan 0.000 0.486 93 H N -1.271 117.827 119.070 0.047 0.000 2.549 93 H HA 0.310 4.883 4.556 0.028 0.000 0.279 93 H C 1.216 176.421 175.328 -0.204 0.000 1.018 93 H CA 0.088 56.137 56.048 0.002 0.000 1.175 93 H CB 0.411 30.277 29.762 0.174 0.000 1.485 93 H HN 0.528 nan 8.280 nan 0.000 0.543 94 G N 0.663 109.460 108.800 -0.005 0.000 2.143 94 G HA2 -0.367 3.610 3.960 0.028 0.000 0.249 94 G HA3 -0.367 3.610 3.960 0.028 0.000 0.249 94 G C 0.356 175.126 174.900 -0.217 0.000 0.981 94 G CA 0.315 45.345 45.100 -0.116 0.000 0.665 94 G HN 0.489 nan 8.290 nan 0.000 0.528 95 Y N 1.349 121.664 120.300 0.024 0.000 2.373 95 Y HA 0.283 4.849 4.550 0.028 0.000 0.293 95 Y C 1.602 177.305 175.900 -0.328 0.000 1.129 95 Y CA 1.455 59.456 58.100 -0.164 0.000 1.226 95 Y CB 0.336 38.747 38.460 -0.082 0.000 1.000 95 Y HN 0.635 nan 8.280 nan 0.000 0.549 96 D N -1.638 118.854 120.400 0.153 0.000 2.692 96 D HA 0.451 5.108 4.640 0.028 0.000 0.290 96 D C -1.277 175.111 176.300 0.146 0.000 1.281 96 D CA -0.842 53.247 54.000 0.148 0.000 0.804 96 D CB 0.779 41.782 40.800 0.337 0.000 1.331 96 D HN -0.082 nan 8.370 nan 0.000 0.432 97 A N 0.368 123.280 122.820 0.154 0.000 2.310 97 A HA 0.704 5.040 4.320 0.028 0.000 0.299 97 A C -2.326 175.295 177.584 0.063 0.000 1.147 97 A CA -1.194 50.909 52.037 0.109 0.000 0.818 97 A CB 0.231 19.361 19.000 0.217 0.000 1.096 97 A HN 0.540 nan 8.150 nan 0.000 0.495 98 P HA 0.454 nan 4.420 nan 0.000 0.278 98 P C -0.922 176.551 177.300 0.289 0.000 1.238 98 P CA 0.079 63.119 63.100 -0.100 0.000 0.794 98 P CB 0.851 32.190 31.700 -0.603 0.000 0.955 99 I N 2.373 123.220 120.570 0.461 0.000 2.465 99 I HA 0.273 4.459 4.170 0.028 0.000 0.291 99 I C -0.644 175.677 176.117 0.340 0.000 1.014 99 I CA -0.996 60.572 61.300 0.447 0.000 1.093 99 I CB 1.927 40.107 38.000 0.301 0.000 1.267 99 I HN 0.284 nan 8.210 nan 0.000 0.431 100 Y N 5.824 126.069 120.300 -0.093 0.000 2.587 100 Y HA 0.532 5.098 4.550 0.027 0.000 0.328 100 Y C -0.389 175.360 175.900 -0.251 0.000 0.980 100 Y CA -0.460 57.296 58.100 -0.573 0.000 1.272 100 Y CB 1.118 38.713 38.460 -1.442 0.000 1.094 100 Y HN 0.547 nan 8.280 nan 0.000 0.503 101 T N 5.251 119.309 114.554 -0.827 0.000 2.893 101 T HA 0.254 4.621 4.350 0.028 0.000 0.293 101 T C 0.199 174.424 174.700 -0.793 0.000 1.027 101 T CA -0.588 61.063 62.100 -0.748 0.000 0.988 101 T CB 1.109 69.775 68.868 -0.336 0.000 1.043 101 T HN 0.748 nan 8.240 nan 0.000 0.461 102 N N 2.788 121.056 118.700 -0.721 0.000 2.202 102 N HA 0.031 4.787 4.740 0.028 0.000 0.191 102 N C 1.554 176.852 175.510 -0.354 0.000 1.054 102 N CA 1.509 54.279 53.050 -0.465 0.000 0.877 102 N CB -0.484 37.763 38.487 -0.400 0.000 1.057 102 N HN 0.419 nan 8.380 nan 0.000 0.456 103 V N 0.379 120.069 119.914 -0.373 0.000 2.581 103 V HA 0.110 4.247 4.120 0.028 0.000 0.240 103 V C 0.457 176.325 176.094 -0.377 0.000 1.054 103 V CA 0.744 62.822 62.300 -0.369 0.000 1.076 103 V CB -0.620 30.986 31.823 -0.362 0.000 0.748 103 V HN 0.285 nan 8.190 nan 0.000 0.474 104 T N 1.019 115.394 114.554 -0.298 0.000 2.902 104 T HA 0.139 4.506 4.350 0.028 0.000 0.301 104 T C -0.377 174.211 174.700 -0.186 0.000 1.012 104 T CA 0.273 62.247 62.100 -0.209 0.000 1.151 104 T CB -0.165 68.610 68.868 -0.155 0.000 0.946 104 T HN 0.186 nan 8.240 nan 0.000 0.542 105 Y N 4.359 124.572 120.300 -0.146 0.000 2.597 105 Y HA 0.133 4.699 4.550 0.027 0.000 0.336 105 Y C -0.849 174.930 175.900 -0.202 0.000 1.216 105 Y CA -1.811 56.185 58.100 -0.173 0.000 1.463 105 Y CB 0.490 38.840 38.460 -0.184 0.000 1.303 105 Y HN 0.520 nan 8.280 nan 0.000 0.576 106 P HA 0.005 nan 4.420 nan 0.000 0.245 106 P C -0.386 176.717 177.300 -0.328 0.000 1.212 106 P CA 1.016 64.028 63.100 -0.148 0.000 0.774 106 P CB 0.005 31.652 31.700 -0.088 0.000 0.999 107 I N -5.341 115.000 120.570 -0.382 0.000 2.934 107 I HA 0.482 4.668 4.170 0.028 0.000 0.306 107 I C -0.657 175.319 176.117 -0.236 0.000 1.110 107 I CA -1.249 59.781 61.300 -0.451 0.000 1.019 107 I CB 1.843 39.384 38.000 -0.765 0.000 1.227 107 I HN -0.460 nan 8.210 nan 0.000 0.434 108 T N 2.810 117.271 114.554 -0.155 0.000 2.908 108 T HA 0.130 4.497 4.350 0.028 0.000 0.301 108 T C 0.258 174.939 174.700 -0.033 0.000 1.019 108 T CA -0.261 61.803 62.100 -0.059 0.000 1.152 108 T CB 0.580 69.439 68.868 -0.015 0.000 0.966 108 T HN 0.383 nan 8.240 nan 0.000 0.540 109 V N 4.667 124.582 119.914 0.001 0.000 2.381 109 V HA 0.211 4.348 4.120 0.028 0.000 0.257 109 V C 0.736 176.883 176.094 0.089 0.000 1.057 109 V CA -0.019 62.306 62.300 0.042 0.000 1.013 109 V CB -0.320 31.518 31.823 0.025 0.000 1.069 109 V HN 0.918 nan 8.190 nan 0.000 0.484 110 N N 5.765 124.583 118.700 0.197 0.000 2.725 110 N HA 0.201 4.957 4.740 0.028 0.000 0.225 110 N C -2.945 172.654 175.510 0.149 0.000 1.465 110 N CA -1.010 52.137 53.050 0.163 0.000 0.830 110 N CB 1.329 39.944 38.487 0.212 0.000 1.460 110 N HN 0.285 nan 8.380 nan 0.000 0.538 111 P HA 0.199 nan 4.420 nan 0.000 0.266 111 P C -2.283 174.747 177.300 -0.450 0.000 1.195 111 P CA -0.669 61.971 63.100 -0.766 0.000 0.768 111 P CB 0.593 31.678 31.700 -1.026 0.000 0.838 112 P HA 0.230 nan 4.420 nan 0.000 0.259 112 P C -0.430 176.704 177.300 -0.278 0.000 1.530 112 P CA -0.261 62.593 63.100 -0.411 0.000 1.022 112 P CB -0.091 31.368 31.700 -0.400 0.000 1.514 113 F N 0.797 120.849 119.950 0.169 0.000 2.370 113 F HA 0.362 4.906 4.527 0.028 0.000 0.319 113 F C 1.318 177.300 175.800 0.303 0.000 1.129 113 F CA -0.843 57.280 58.000 0.204 0.000 1.109 113 F CB 0.728 39.794 39.000 0.110 0.000 1.262 113 F HN -0.218 nan 8.300 nan 0.000 0.534 114 V N -1.164 119.038 119.914 0.480 0.000 3.074 114 V HA 0.711 4.848 4.120 0.028 0.000 0.314 114 V C -2.791 173.470 176.094 0.278 0.000 1.117 114 V CA -2.802 59.690 62.300 0.320 0.000 1.014 114 V CB 1.494 33.548 31.823 0.385 0.000 1.057 114 V HN 0.490 nan 8.190 nan 0.000 0.438 115 P HA 0.199 nan 4.420 nan 0.000 0.268 115 P C 1.017 178.459 177.300 0.237 0.000 1.208 115 P CA 0.579 63.778 63.100 0.166 0.000 0.777 115 P CB 0.492 32.267 31.700 0.126 0.000 0.875 116 T N -1.982 112.679 114.554 0.179 0.000 2.904 116 T HA -0.067 4.299 4.350 0.028 0.000 0.267 116 T C 0.488 175.292 174.700 0.174 0.000 1.059 116 T CA 0.756 62.963 62.100 0.179 0.000 1.137 116 T CB -0.563 68.379 68.868 0.123 0.000 0.879 116 T HN 0.373 nan 8.240 nan 0.000 0.467 117 E N 2.683 122.988 120.200 0.175 0.000 1.932 117 E HA 0.269 4.636 4.350 0.028 0.000 0.275 117 E C -0.667 176.084 176.600 0.250 0.000 1.159 117 E CA -0.365 56.143 56.400 0.181 0.000 0.905 117 E CB 0.100 29.911 29.700 0.185 0.000 1.059 117 E HN 0.235 nan 8.360 nan 0.000 0.400 118 N N 4.392 123.203 118.700 0.186 0.000 2.623 118 N HA 0.227 4.983 4.740 0.028 0.000 0.256 118 N C -2.817 172.690 175.510 -0.005 0.000 1.045 118 N CA -2.608 50.574 53.050 0.220 0.000 0.863 118 N CB 0.973 39.584 38.487 0.206 0.000 1.182 118 N HN 0.040 nan 8.380 nan 0.000 0.523 119 P HA -0.040 nan 4.420 nan 0.000 0.257 119 P C -0.836 176.321 177.300 -0.239 0.000 1.153 119 P CA 0.679 63.684 63.100 -0.159 0.000 0.762 119 P CB 0.259 32.150 31.700 0.318 0.000 0.743 120 T N 2.940 117.092 114.554 -0.670 0.000 2.812 120 T HA 0.579 4.946 4.350 0.028 0.000 0.282 120 T C 0.252 174.395 174.700 -0.929 0.000 0.990 120 T CA -0.577 61.190 62.100 -0.555 0.000 0.960 120 T CB 1.649 70.262 68.868 -0.426 0.000 0.948 120 T HN 0.330 nan 8.240 nan 0.000 0.438 121 G N 1.007 109.345 108.800 -0.769 0.000 2.437 121 G HA2 0.483 4.459 3.960 0.028 0.000 0.315 121 G HA3 0.483 4.459 3.960 0.028 0.000 0.315 121 G C -0.337 174.324 174.900 -0.397 0.000 1.210 121 G CA -0.373 44.186 45.100 -0.902 0.000 0.943 121 G HN 0.863 nan 8.290 nan 0.000 0.471 122 C N 3.372 122.217 119.300 -0.758 0.000 2.200 122 C HA 0.467 4.944 4.460 0.028 0.000 0.328 122 C C -0.477 174.510 174.990 -0.004 0.000 1.148 122 C CA -0.889 57.839 59.018 -0.484 0.000 1.624 122 C CB -1.911 25.195 27.740 -1.056 0.000 2.167 122 C HN 0.615 nan 8.230 nan 0.000 0.484 123 Y N 1.896 122.486 120.300 0.483 0.000 2.419 123 Y HA 0.653 5.220 4.550 0.028 0.000 0.328 123 Y C 0.814 177.165 175.900 0.752 0.000 1.162 123 Y CA -0.244 58.244 58.100 0.647 0.000 1.174 123 Y CB 1.420 40.258 38.460 0.630 0.000 1.228 123 Y HN 0.654 nan 8.280 nan 0.000 0.473 124 S N 1.748 117.936 115.700 0.814 0.000 2.596 124 S HA 0.822 5.309 4.470 0.028 0.000 0.270 124 S C -2.020 172.679 174.600 0.165 0.000 1.155 124 S CA -0.801 57.657 58.200 0.429 0.000 0.827 124 S CB 2.218 65.531 63.200 0.189 0.000 1.130 124 S HN 0.559 nan 8.310 nan 0.000 0.467 125 L N 0.758 121.885 121.223 -0.160 0.000 2.513 125 L HA 0.711 5.068 4.340 0.028 0.000 0.261 125 L C -1.116 175.702 176.870 -0.087 0.000 0.945 125 L CA 0.147 54.736 54.840 -0.420 0.000 0.848 125 L CB 2.224 43.532 42.059 -1.251 0.000 1.334 125 L HN 0.955 nan 8.230 nan 0.000 0.407 126 T N 5.550 120.086 114.554 -0.030 0.000 2.771 126 T HA 0.761 5.128 4.350 0.028 0.000 0.281 126 T C -0.846 173.918 174.700 0.106 0.000 0.982 126 T CA -0.033 62.090 62.100 0.039 0.000 0.978 126 T CB 0.306 69.155 68.868 -0.032 0.000 0.930 126 T HN 0.440 nan 8.240 nan 0.000 0.447 127 F N 1.005 120.852 119.950 -0.172 0.000 2.662 127 F HA 0.747 5.291 4.527 0.028 0.000 0.312 127 F C -0.738 174.979 175.800 -0.138 0.000 1.113 127 F CA -1.533 56.366 58.000 -0.169 0.000 0.951 127 F CB 1.345 40.218 39.000 -0.212 0.000 1.344 127 F HN 0.353 nan 8.300 nan 0.000 0.462 128 N N 0.404 118.993 118.700 -0.185 0.000 2.509 128 N HA 0.643 5.400 4.740 0.028 0.000 0.287 128 N C -1.837 173.513 175.510 -0.266 0.000 1.121 128 N CA -0.405 52.481 53.050 -0.274 0.000 0.977 128 N CB 1.880 40.271 38.487 -0.159 0.000 1.167 128 N HN 0.638 nan 8.380 nan 0.000 0.476 129 V N 2.003 121.742 119.914 -0.291 0.000 2.577 129 V HA 0.246 4.382 4.120 0.028 0.000 0.303 129 V C -0.630 175.337 176.094 -0.211 0.000 1.042 129 V CA -0.938 61.208 62.300 -0.256 0.000 0.872 129 V CB 1.441 33.180 31.823 -0.140 0.000 0.998 129 V HN 0.793 nan 8.190 nan 0.000 0.423 130 D N 2.720 122.949 120.400 -0.285 0.000 2.345 130 D HA 0.151 4.807 4.640 0.028 0.000 0.247 130 D C 1.096 177.395 176.300 -0.003 0.000 1.108 130 D CA -0.079 53.834 54.000 -0.145 0.000 0.894 130 D CB 1.601 42.302 40.800 -0.165 0.000 1.203 130 D HN 0.588 nan 8.370 nan 0.000 0.430 131 E N 1.565 121.775 120.200 0.016 0.000 2.171 131 E HA -0.214 4.153 4.350 0.028 0.000 0.197 131 E C 1.759 178.420 176.600 0.102 0.000 0.997 131 E CA 1.675 58.108 56.400 0.055 0.000 0.810 131 E CB -0.433 29.285 29.700 0.030 0.000 0.738 131 E HN 0.510 nan 8.360 nan 0.000 0.467 132 S N -1.045 114.724 115.700 0.114 0.000 2.400 132 S HA -0.187 4.300 4.470 0.028 0.000 0.232 132 S C 1.844 176.517 174.600 0.121 0.000 1.025 132 S CA 1.130 59.401 58.200 0.118 0.000 0.993 132 S CB -0.855 62.423 63.200 0.130 0.000 0.808 132 S HN 0.360 nan 8.310 nan 0.000 0.478 133 W N 1.689 122.894 121.300 -0.158 0.000 2.436 133 W HA 0.321 4.998 4.660 0.028 0.000 0.284 133 W C 2.066 178.605 176.519 0.033 0.000 1.225 133 W CA 0.059 57.274 57.345 -0.216 0.000 1.271 133 W CB -0.528 28.893 29.460 -0.064 0.000 1.114 133 W HN 0.309 nan 8.180 nan 0.000 0.559 134 L N -1.035 120.340 121.223 0.254 0.000 2.416 134 L HA 0.031 4.387 4.340 0.028 0.000 0.216 134 L C 2.167 179.115 176.870 0.131 0.000 1.098 134 L CA 0.495 55.450 54.840 0.190 0.000 0.840 134 L CB -0.797 41.350 42.059 0.146 0.000 0.981 134 L HN -0.112 nan 8.230 nan 0.000 0.462 135 Q N -0.034 119.829 119.800 0.104 0.000 2.167 135 Q HA -0.058 4.299 4.340 0.028 0.000 0.202 135 Q C 0.195 176.241 176.000 0.077 0.000 0.970 135 Q CA 1.123 56.970 55.803 0.073 0.000 0.855 135 Q CB 0.475 29.245 28.738 0.054 0.000 0.911 135 Q HN 0.198 nan 8.270 nan 0.000 0.438 136 E N -2.068 118.195 120.200 0.104 0.000 2.408 136 E HA 0.511 4.878 4.350 0.028 0.000 0.275 136 E C -0.340 176.371 176.600 0.185 0.000 0.935 136 E CA 0.289 56.754 56.400 0.109 0.000 0.775 136 E CB 1.697 31.456 29.700 0.098 0.000 1.277 136 E HN 0.220 nan 8.360 nan 0.000 0.455 137 G N 1.435 110.280 108.800 0.075 0.000 2.750 137 G HA2 -0.246 3.731 3.960 0.028 0.000 0.228 137 G HA3 -0.246 3.731 3.960 0.028 0.000 0.228 137 G C -0.584 174.255 174.900 -0.103 0.000 1.367 137 G CA 0.081 45.141 45.100 -0.067 0.000 0.871 137 G HN 0.519 nan 8.290 nan 0.000 0.560 138 Q N -0.527 119.062 119.800 -0.351 0.000 2.333 138 Q HA 0.636 4.993 4.340 0.028 0.000 0.267 138 Q C -0.901 174.945 176.000 -0.257 0.000 1.012 138 Q CA -0.455 55.223 55.803 -0.208 0.000 0.824 138 Q CB 1.435 30.078 28.738 -0.157 0.000 1.290 138 Q HN 0.623 nan 8.270 nan 0.000 0.449 139 T N 4.903 119.481 114.554 0.039 0.000 2.772 139 T HA 0.465 4.832 4.350 0.028 0.000 0.288 139 T C -0.620 174.189 174.700 0.182 0.000 0.994 139 T CA -0.646 61.573 62.100 0.198 0.000 0.951 139 T CB 0.520 69.654 68.868 0.444 0.000 0.933 139 T HN 0.632 nan 8.240 nan 0.000 0.447 140 R N 2.881 123.473 120.500 0.154 0.000 2.803 140 R HA 0.779 5.136 4.340 0.028 0.000 0.276 140 R C -1.143 175.247 176.300 0.150 0.000 0.978 140 R CA -0.962 55.226 56.100 0.146 0.000 0.939 140 R CB 1.464 31.824 30.300 0.100 0.000 1.179 140 R HN 0.560 nan 8.270 nan 0.000 0.472 141 I N 2.689 123.346 120.570 0.146 0.000 2.498 141 I HA 0.433 4.620 4.170 0.028 0.000 0.301 141 I C -1.016 175.135 176.117 0.058 0.000 0.984 141 I CA -1.160 60.172 61.300 0.054 0.000 1.204 141 I CB 1.252 39.263 38.000 0.018 0.000 1.362 141 I HN 0.628 nan 8.210 nan 0.000 0.471 142 I N 7.185 127.698 120.570 -0.096 0.000 2.468 142 I HA 0.267 4.454 4.170 0.028 0.000 0.285 142 I C -1.282 174.723 176.117 -0.187 0.000 1.039 142 I CA -0.300 60.973 61.300 -0.046 0.000 1.074 142 I CB 1.394 39.376 38.000 -0.031 0.000 1.228 142 I HN 0.376 nan 8.210 nan 0.000 0.436 143 F N 4.714 124.664 119.950 -0.001 0.000 2.334 143 F HA 0.250 4.794 4.527 0.027 0.000 0.367 143 F C 1.379 177.075 175.800 -0.173 0.000 1.115 143 F CA -0.319 57.606 58.000 -0.125 0.000 1.116 143 F CB 0.755 39.645 39.000 -0.183 0.000 1.230 143 F HN 0.479 nan 8.300 nan 0.000 0.484 144 D N 2.450 122.787 120.400 -0.106 0.000 2.264 144 D HA 0.032 4.688 4.640 0.028 0.000 0.208 144 D C 0.996 177.142 176.300 -0.256 0.000 0.966 144 D CA 0.874 54.762 54.000 -0.186 0.000 0.864 144 D CB 0.397 41.032 40.800 -0.275 0.000 0.933 144 D HN 0.622 nan 8.370 nan 0.000 0.499 145 G N -0.244 108.345 108.800 -0.352 0.000 2.334 145 G HA2 0.412 4.389 3.960 0.028 0.000 0.290 145 G HA3 0.412 4.389 3.960 0.028 0.000 0.290 145 G C -1.367 173.261 174.900 -0.454 0.000 1.310 145 G CA -0.446 44.339 45.100 -0.526 0.000 1.308 145 G HN -0.060 nan 8.290 nan 0.000 0.612 146 V N 2.767 122.615 119.914 -0.109 0.000 2.407 146 V HA 0.500 4.636 4.120 0.028 0.000 0.291 146 V C -0.597 175.586 176.094 0.150 0.000 1.018 146 V CA -1.227 61.021 62.300 -0.087 0.000 0.842 146 V CB 1.713 33.203 31.823 -0.556 0.000 0.996 146 V HN 0.669 nan 8.190 nan 0.000 0.426 147 N N 2.706 121.496 118.700 0.150 0.000 2.444 147 N HA 0.280 5.036 4.740 0.028 0.000 0.262 147 N C 0.740 176.187 175.510 -0.106 0.000 0.974 147 N CA 0.200 53.238 53.050 -0.021 0.000 0.933 147 N CB 2.174 40.477 38.487 -0.307 0.000 1.137 147 N HN 0.695 nan 8.380 nan 0.000 0.498 148 S N 2.050 117.726 115.700 -0.041 0.000 2.505 148 S HA 0.535 5.022 4.470 0.028 0.000 0.216 148 S C 0.374 175.034 174.600 0.101 0.000 1.018 148 S CA 0.091 58.318 58.200 0.044 0.000 0.911 148 S CB 0.355 63.600 63.200 0.074 0.000 0.818 148 S HN 0.640 nan 8.310 nan 0.000 0.497 149 A N 0.718 123.605 122.820 0.113 0.000 2.612 149 A HA 0.771 5.108 4.320 0.028 0.000 0.293 149 A C -1.311 176.355 177.584 0.138 0.000 1.075 149 A CA -0.978 51.086 52.037 0.045 0.000 0.680 149 A CB 0.822 19.873 19.000 0.085 0.000 1.279 149 A HN 1.079 nan 8.150 nan 0.000 0.411 150 F N -0.823 118.928 119.950 -0.331 0.000 2.693 150 F HA 0.742 5.285 4.527 0.027 0.000 0.309 150 F C -1.091 174.587 175.800 -0.204 0.000 1.129 150 F CA -0.810 57.091 58.000 -0.165 0.000 0.948 150 F CB 1.131 40.019 39.000 -0.187 0.000 1.315 150 F HN 0.631 nan 8.300 nan 0.000 0.447 151 H N 1.709 120.897 119.070 0.197 0.000 2.499 151 H HA 0.724 5.297 4.556 0.028 0.000 0.340 151 H C -1.441 173.813 175.328 -0.124 0.000 1.148 151 H CA -0.719 55.325 56.048 -0.006 0.000 1.215 151 H CB 2.490 32.247 29.762 -0.008 0.000 1.529 151 H HN 0.810 nan 8.280 nan 0.000 0.510 152 L N 2.886 123.861 121.223 -0.413 0.000 2.385 152 L HA 0.413 4.769 4.340 0.028 0.000 0.273 152 L C -1.628 174.921 176.870 -0.534 0.000 0.990 152 L CA -0.469 54.196 54.840 -0.293 0.000 0.821 152 L CB 1.540 43.356 42.059 -0.405 0.000 1.279 152 L HN 0.500 nan 8.230 nan 0.000 0.412 153 W N 4.260 125.540 121.300 -0.035 0.000 2.781 153 W HA 0.627 5.304 4.660 0.028 0.000 0.345 153 W C -1.106 175.365 176.519 -0.079 0.000 1.085 153 W CA -0.831 56.484 57.345 -0.050 0.000 1.198 153 W CB 2.025 31.500 29.460 0.026 0.000 1.423 153 W HN 0.639 nan 8.180 nan 0.000 0.532 154 C N 4.414 123.813 119.300 0.166 0.000 2.481 154 C HA 0.302 4.779 4.460 0.028 0.000 0.324 154 C C 0.201 175.337 174.990 0.244 0.000 1.170 154 C CA -0.380 58.729 59.018 0.151 0.000 1.361 154 C CB -0.327 27.431 27.740 0.030 0.000 1.977 154 C HN 0.815 nan 8.230 nan 0.000 0.459 155 N N 3.553 122.347 118.700 0.157 0.000 2.727 155 N HA -0.190 4.566 4.740 0.028 0.000 0.249 155 N C 1.011 176.595 175.510 0.123 0.000 1.048 155 N CA 2.064 55.179 53.050 0.109 0.000 0.714 155 N CB -1.284 37.268 38.487 0.109 0.000 0.959 155 N HN 1.888 nan 8.380 nan 0.000 0.544 156 G N -1.191 107.675 108.800 0.111 0.000 2.234 156 G HA2 -0.381 3.596 3.960 0.028 0.000 0.260 156 G HA3 -0.381 3.596 3.960 0.028 0.000 0.260 156 G C 0.189 175.264 174.900 0.292 0.000 0.987 156 G CA 0.690 45.851 45.100 0.101 0.000 0.625 156 G HN 0.559 nan 8.290 nan 0.000 0.532 157 R N -0.830 119.912 120.500 0.404 0.000 2.312 157 R HA 0.413 4.770 4.340 0.028 0.000 0.311 157 R C -0.108 176.559 176.300 0.611 0.000 1.004 157 R CA -0.829 55.592 56.100 0.534 0.000 0.902 157 R CB 0.880 31.499 30.300 0.531 0.000 1.073 157 R HN 0.234 nan 8.270 nan 0.000 0.457 158 W N 3.696 125.219 121.300 0.371 0.000 2.251 158 W HA 0.071 4.748 4.660 0.027 0.000 0.327 158 W C 0.092 176.576 176.519 -0.058 0.000 1.361 158 W CA 0.020 57.295 57.345 -0.117 0.000 1.234 158 W CB 0.669 30.047 29.460 -0.135 0.000 1.212 158 W HN 0.327 nan 8.180 nan 0.000 0.557 159 V N 5.212 124.400 119.914 -1.210 0.000 2.743 159 V HA 0.530 4.667 4.120 0.028 0.000 0.237 159 V C 1.045 176.199 176.094 -1.566 0.000 1.113 159 V CA 1.092 62.659 62.300 -1.222 0.000 1.141 159 V CB -0.327 30.791 31.823 -1.175 0.000 0.873 159 V HN 0.825 nan 8.190 nan 0.000 0.486 160 G N -1.747 105.885 108.800 -1.947 0.000 2.341 160 G HA2 0.456 4.432 3.960 0.028 0.000 0.299 160 G HA3 0.456 4.432 3.960 0.028 0.000 0.299 160 G C -2.391 172.086 174.900 -0.705 0.000 1.274 160 G CA -0.200 44.115 45.100 -1.307 0.000 0.853 160 G HN 0.034 nan 8.290 nan 0.000 0.493 161 Y N -0.531 119.538 120.300 -0.384 0.000 2.571 161 Y HA 0.695 5.261 4.550 0.028 0.000 0.341 161 Y C -0.119 175.557 175.900 -0.373 0.000 1.076 161 Y CA -0.011 57.787 58.100 -0.503 0.000 1.029 161 Y CB 2.197 40.493 38.460 -0.273 0.000 1.308 161 Y HN 1.247 nan 8.280 nan 0.000 0.461 162 G N 3.534 111.456 108.800 -1.464 0.000 2.696 162 G HA2 0.595 4.572 3.960 0.028 0.000 0.295 162 G HA3 0.595 4.572 3.960 0.028 0.000 0.295 162 G C -2.135 172.272 174.900 -0.822 0.000 1.398 162 G CA -0.841 43.711 45.100 -0.912 0.000 0.920 162 G HN 0.637 nan 8.290 nan 0.000 0.492 163 Q N -0.392 119.206 119.800 -0.337 0.000 2.668 163 Q HA 0.572 4.929 4.340 0.028 0.000 0.298 163 Q C -1.452 174.549 176.000 0.002 0.000 1.071 163 Q CA -0.822 54.909 55.803 -0.120 0.000 0.789 163 Q CB 2.744 31.465 28.738 -0.028 0.000 1.497 163 Q HN 0.672 nan 8.270 nan 0.000 0.460 164 D N -0.175 120.264 120.400 0.064 0.000 4.370 164 D HA -0.097 4.560 4.640 0.028 0.000 0.238 164 D C -0.521 175.844 176.300 0.109 0.000 1.104 164 D CA 0.537 54.590 54.000 0.089 0.000 1.101 164 D CB -0.732 40.105 40.800 0.063 0.000 0.749 164 D HN 0.529 nan 8.370 nan 0.000 0.351 165 S N 3.066 118.844 115.700 0.129 0.000 2.537 165 S HA -0.089 4.398 4.470 0.028 0.000 0.240 165 S C 1.556 176.285 174.600 0.216 0.000 0.981 165 S CA 0.615 58.919 58.200 0.173 0.000 0.948 165 S CB 0.196 63.468 63.200 0.120 0.000 0.759 165 S HN 0.469 nan 8.310 nan 0.000 0.531 166 R N 0.063 120.656 120.500 0.154 0.000 2.543 166 R HA 0.425 4.782 4.340 0.028 0.000 0.323 166 R C -0.409 175.954 176.300 0.104 0.000 1.002 166 R CA 0.068 56.259 56.100 0.152 0.000 1.106 166 R CB 0.211 30.623 30.300 0.187 0.000 1.280 166 R HN 0.323 nan 8.270 nan 0.000 0.549 167 L N 1.223 122.480 121.223 0.057 0.000 2.350 167 L HA 0.509 4.866 4.340 0.028 0.000 0.260 167 L C -2.439 174.417 176.870 -0.023 0.000 1.015 167 L CA -2.365 52.480 54.840 0.009 0.000 0.821 167 L CB 2.815 44.871 42.059 -0.005 0.000 1.370 167 L HN -0.213 nan 8.230 nan 0.000 0.416 168 P HA 0.099 nan 4.420 nan 0.000 0.271 168 P C -0.966 176.309 177.300 -0.042 0.000 1.216 168 P CA -0.163 62.901 63.100 -0.060 0.000 0.771 168 P CB 0.961 32.586 31.700 -0.125 0.000 0.864 169 S N 2.080 117.822 115.700 0.069 0.000 2.474 169 S HA 0.286 4.773 4.470 0.028 0.000 0.321 169 S C -0.390 174.179 174.600 -0.052 0.000 1.080 169 S CA -0.546 57.663 58.200 0.016 0.000 1.106 169 S CB 0.468 63.878 63.200 0.350 0.000 0.984 169 S HN 0.346 nan 8.310 nan 0.000 0.464 170 E N 2.288 122.241 120.200 -0.411 0.000 2.199 170 E HA 0.547 4.914 4.350 0.028 0.000 0.269 170 E C -1.369 174.851 176.600 -0.634 0.000 0.899 170 E CA -0.523 55.708 56.400 -0.282 0.000 0.772 170 E CB 1.556 31.201 29.700 -0.093 0.000 1.155 170 E HN 0.409 nan 8.360 nan 0.000 0.408 171 F N 0.701 120.701 119.950 0.083 0.000 2.565 171 F HA 0.216 4.760 4.527 0.028 0.000 0.313 171 F C 0.079 175.896 175.800 0.029 0.000 1.091 171 F CA -1.121 56.892 58.000 0.023 0.000 0.915 171 F CB 1.527 40.511 39.000 -0.026 0.000 1.208 171 F HN 0.275 nan 8.300 nan 0.000 0.453 172 D N 2.930 123.449 120.400 0.198 0.000 2.325 172 D HA 0.233 4.890 4.640 0.028 0.000 0.251 172 D C 0.288 176.711 176.300 0.206 0.000 1.196 172 D CA 0.260 54.362 54.000 0.169 0.000 0.866 172 D CB 1.051 41.939 40.800 0.146 0.000 1.101 172 D HN 0.583 nan 8.370 nan 0.000 0.476 173 L N 2.783 124.135 121.223 0.215 0.000 2.640 173 L HA 0.029 4.386 4.340 0.028 0.000 0.230 173 L C 2.179 179.274 176.870 0.376 0.000 1.123 173 L CA -0.197 54.804 54.840 0.269 0.000 0.900 173 L CB 0.080 42.270 42.059 0.217 0.000 1.146 173 L HN 0.286 nan 8.230 nan 0.000 0.484 174 S N 1.419 117.288 115.700 0.282 0.000 2.390 174 S HA -0.318 4.168 4.470 0.028 0.000 0.234 174 S C 2.012 176.733 174.600 0.201 0.000 1.063 174 S CA 2.067 60.399 58.200 0.220 0.000 1.108 174 S CB -0.162 63.126 63.200 0.145 0.000 0.975 174 S HN 0.582 nan 8.310 nan 0.000 0.442 175 A N -0.844 122.093 122.820 0.196 0.000 2.238 175 A HA 0.297 4.634 4.320 0.028 0.000 0.208 175 A C 1.338 178.859 177.584 -0.105 0.000 1.177 175 A CA 0.427 52.465 52.037 0.002 0.000 0.804 175 A CB -0.387 18.525 19.000 -0.145 0.000 0.823 175 A HN 0.489 nan 8.150 nan 0.000 0.482 176 F N -0.778 119.217 119.950 0.075 0.000 2.717 176 F HA 0.372 4.915 4.527 0.028 0.000 0.297 176 F C 0.732 176.572 175.800 0.067 0.000 1.113 176 F CA -0.111 57.932 58.000 0.073 0.000 1.319 176 F CB 0.098 39.148 39.000 0.083 0.000 1.097 176 F HN -0.023 nan 8.300 nan 0.000 0.595 177 L N 1.099 122.475 121.223 0.254 0.000 2.431 177 L HA 0.507 4.864 4.340 0.028 0.000 0.260 177 L C 0.278 177.193 176.870 0.076 0.000 1.098 177 L CA -0.865 54.064 54.840 0.147 0.000 0.800 177 L CB 1.015 43.173 42.059 0.165 0.000 1.210 177 L HN -0.020 nan 8.230 nan 0.000 0.465 178 R N 0.940 121.447 120.500 0.012 0.000 2.837 178 R HA 0.774 5.131 4.340 0.028 0.000 0.271 178 R C -1.116 175.161 176.300 -0.038 0.000 0.993 178 R CA -0.802 55.294 56.100 -0.006 0.000 0.931 178 R CB 1.644 31.931 30.300 -0.022 0.000 1.206 178 R HN 0.570 nan 8.270 nan 0.000 0.474 179 A N 0.993 123.798 122.820 -0.025 0.000 2.498 179 A HA 0.512 4.848 4.320 0.028 0.000 0.239 179 A C 0.960 178.493 177.584 -0.084 0.000 1.068 179 A CA 1.034 53.045 52.037 -0.044 0.000 0.766 179 A CB -0.539 18.448 19.000 -0.021 0.000 1.003 179 A HN 1.416 nan 8.150 nan 0.000 0.497 180 G N 1.076 109.805 108.800 -0.119 0.000 2.484 180 G HA2 -0.049 3.927 3.960 0.028 0.000 0.225 180 G HA3 -0.049 3.927 3.960 0.028 0.000 0.225 180 G C -0.491 174.278 174.900 -0.217 0.000 1.250 180 G CA -0.150 44.866 45.100 -0.140 0.000 0.926 180 G HN 0.929 nan 8.290 nan 0.000 0.581 181 E N 1.755 121.838 120.200 -0.195 0.000 2.392 181 E HA 0.381 4.748 4.350 0.028 0.000 0.264 181 E C 0.466 176.866 176.600 -0.333 0.000 1.024 181 E CA 0.116 56.360 56.400 -0.259 0.000 0.903 181 E CB 0.421 30.015 29.700 -0.176 0.000 0.963 181 E HN 0.498 nan 8.360 nan 0.000 0.432 182 N N 1.796 120.163 118.700 -0.556 0.000 2.357 182 N HA 0.389 5.146 4.740 0.028 0.000 0.284 182 N C -0.784 174.495 175.510 -0.385 0.000 1.236 182 N CA -0.658 52.066 53.050 -0.543 0.000 0.774 182 N CB 2.699 40.717 38.487 -0.782 0.000 1.534 182 N HN 0.199 nan 8.380 nan 0.000 0.478 183 R N 1.690 122.132 120.500 -0.098 0.000 2.502 183 R HA 0.477 4.833 4.340 0.028 0.000 0.300 183 R C -1.196 175.185 176.300 0.135 0.000 0.984 183 R CA -0.471 55.654 56.100 0.043 0.000 0.882 183 R CB 1.023 31.299 30.300 -0.039 0.000 1.180 183 R HN 0.485 nan 8.270 nan 0.000 0.444 184 L N 2.870 124.205 121.223 0.186 0.000 2.360 184 L HA 0.772 5.129 4.340 0.028 0.000 0.271 184 L C -0.333 176.581 176.870 0.075 0.000 1.057 184 L CA -0.934 53.998 54.840 0.152 0.000 0.803 184 L CB 1.901 44.019 42.059 0.099 0.000 1.207 184 L HN 0.795 nan 8.230 nan 0.000 0.445 185 A N 2.701 125.594 122.820 0.121 0.000 2.408 185 A HA 0.703 5.039 4.320 0.028 0.000 0.295 185 A C -1.227 176.664 177.584 0.513 0.000 1.040 185 A CA -0.417 51.609 52.037 -0.017 0.000 0.707 185 A CB 1.642 20.155 19.000 -0.812 0.000 1.235 185 A HN 0.343 nan 8.150 nan 0.000 0.418 186 V N 3.009 123.379 119.914 0.759 0.000 2.407 186 V HA 0.516 4.653 4.120 0.028 0.000 0.291 186 V C -0.093 176.540 176.094 0.899 0.000 1.018 186 V CA -0.301 62.455 62.300 0.759 0.000 0.842 186 V CB 1.507 33.591 31.823 0.435 0.000 0.996 186 V HN 0.958 nan 8.190 nan 0.000 0.426 187 M N 5.840 125.969 119.600 0.881 0.000 2.066 187 M HA 0.587 5.083 4.480 0.028 0.000 0.340 187 M C -1.469 175.080 176.300 0.415 0.000 1.053 187 M CA -0.403 55.226 55.300 0.547 0.000 0.983 187 M CB 1.202 34.150 32.600 0.580 0.000 1.520 187 M HN 0.493 nan 8.290 nan 0.000 0.428 188 V N 6.760 126.874 119.914 0.333 0.000 2.370 188 V HA 0.394 4.531 4.120 0.028 0.000 0.283 188 V C -0.068 176.176 176.094 0.251 0.000 1.023 188 V CA -0.717 61.785 62.300 0.337 0.000 0.857 188 V CB 1.444 33.553 31.823 0.476 0.000 0.985 188 V HN 0.796 nan 8.190 nan 0.000 0.443 189 L N 4.917 126.222 121.223 0.138 0.000 2.292 189 L HA 0.484 4.840 4.340 0.028 0.000 0.284 189 L C 1.592 178.468 176.870 0.009 0.000 1.065 189 L CA -0.334 54.512 54.840 0.011 0.000 0.806 189 L CB 1.119 43.098 42.059 -0.133 0.000 1.175 189 L HN 0.675 nan 8.230 nan 0.000 0.431 190 R N 3.009 123.460 120.500 -0.080 0.000 2.073 190 R HA -0.065 4.292 4.340 0.028 0.000 0.234 190 R C -0.359 175.605 176.300 -0.560 0.000 1.134 190 R CA 1.398 57.220 56.100 -0.465 0.000 0.952 190 R CB 0.221 30.082 30.300 -0.732 0.000 0.850 190 R HN 0.573 nan 8.270 nan 0.000 0.433 191 W N -0.051 121.304 121.300 0.091 0.000 2.689 191 W HA 0.442 5.118 4.660 0.027 0.000 0.340 191 W C -0.449 176.175 176.519 0.174 0.000 1.060 191 W CA -0.833 56.573 57.345 0.102 0.000 1.218 191 W CB 1.838 31.360 29.460 0.102 0.000 1.410 191 W HN 0.023 nan 8.180 nan 0.000 0.528 192 S N -1.086 114.906 115.700 0.487 0.000 2.661 192 S HA 0.144 4.630 4.470 0.028 0.000 0.268 192 S C 0.423 175.279 174.600 0.426 0.000 1.162 192 S CA -0.474 58.020 58.200 0.490 0.000 0.817 192 S CB 1.231 64.698 63.200 0.446 0.000 1.141 192 S HN 0.692 nan 8.310 nan 0.000 0.477 193 D N 0.470 121.129 120.400 0.433 0.000 2.221 193 D HA -0.080 4.577 4.640 0.028 0.000 0.204 193 D C 1.745 178.366 176.300 0.535 0.000 0.982 193 D CA 1.491 55.799 54.000 0.513 0.000 0.857 193 D CB -0.960 39.989 40.800 0.248 0.000 0.934 193 D HN 0.734 nan 8.370 nan 0.000 0.475 194 G N 0.726 109.751 108.800 0.375 0.000 2.448 194 G HA2 -0.240 3.737 3.960 0.028 0.000 0.219 194 G HA3 -0.240 3.737 3.960 0.028 0.000 0.219 194 G C 1.801 176.888 174.900 0.311 0.000 1.127 194 G CA 0.769 46.061 45.100 0.321 0.000 0.766 194 G HN 0.301 nan 8.290 nan 0.000 0.552 195 S N -0.104 115.768 115.700 0.287 0.000 2.419 195 S HA -0.121 4.365 4.470 0.028 0.000 0.235 195 S C 1.889 176.592 174.600 0.171 0.000 1.019 195 S CA 0.791 59.129 58.200 0.229 0.000 0.982 195 S CB -0.406 62.938 63.200 0.240 0.000 0.789 195 S HN 0.569 nan 8.310 nan 0.000 0.490 196 Y N 0.977 121.396 120.300 0.198 0.000 2.421 196 Y HA 0.079 4.646 4.550 0.027 0.000 0.292 196 Y C 1.621 177.619 175.900 0.163 0.000 1.136 196 Y CA 0.645 58.780 58.100 0.057 0.000 1.255 196 Y CB -0.105 38.275 38.460 -0.133 0.000 0.991 196 Y HN 0.197 nan 8.280 nan 0.000 0.552 197 L N -0.357 121.059 121.223 0.321 0.000 2.667 197 L HA 0.117 4.474 4.340 0.028 0.000 0.232 197 L C 0.064 177.073 176.870 0.232 0.000 1.138 197 L CA 0.430 55.416 54.840 0.242 0.000 0.921 197 L CB 0.118 42.326 42.059 0.249 0.000 1.180 197 L HN 0.133 nan 8.230 nan 0.000 0.487 198 E N -0.180 120.171 120.200 0.252 0.000 3.646 198 E HA 0.028 4.394 4.350 0.028 0.000 0.211 198 E C -0.381 176.329 176.600 0.184 0.000 1.034 198 E CA -0.088 56.444 56.400 0.220 0.000 1.341 198 E CB 0.475 30.297 29.700 0.204 0.000 1.202 198 E HN 0.030 nan 8.360 nan 0.000 0.447 199 D N 1.039 121.503 120.400 0.106 0.000 2.413 199 D HA 0.007 4.663 4.640 0.028 0.000 0.237 199 D C -0.133 176.141 176.300 -0.043 0.000 1.171 199 D CA 0.028 53.974 54.000 -0.090 0.000 0.839 199 D CB 0.128 40.625 40.800 -0.505 0.000 0.950 199 D HN 0.095 nan 8.370 nan 0.000 0.499 200 Q N 0.441 120.319 119.800 0.129 0.000 2.428 200 Q HA 0.075 4.432 4.340 0.028 0.000 0.276 200 Q C -0.060 176.047 176.000 0.179 0.000 1.059 200 Q CA 0.264 56.218 55.803 0.251 0.000 0.923 200 Q CB 0.468 29.547 28.738 0.569 0.000 1.283 200 Q HN 0.036 nan 8.270 nan 0.000 0.447 201 D N 2.812 123.342 120.400 0.216 0.000 2.455 201 D HA 0.223 4.879 4.640 0.028 0.000 0.234 201 D C -0.754 175.687 176.300 0.236 0.000 1.224 201 D CA 0.119 54.221 54.000 0.171 0.000 0.999 201 D CB -0.450 40.446 40.800 0.160 0.000 1.072 201 D HN 0.500 nan 8.370 nan 0.000 0.514 202 M N 0.472 120.182 119.600 0.183 0.000 3.069 202 M HA 0.340 4.837 4.480 0.028 0.000 0.274 202 M C -1.382 175.016 176.300 0.164 0.000 1.146 202 M CA -1.142 54.209 55.300 0.086 0.000 0.807 202 M CB 0.954 33.496 32.600 -0.095 0.000 1.621 202 M HN -0.093 nan 8.290 nan 0.000 0.521 203 W N 1.874 123.273 121.300 0.166 0.000 2.231 203 W HA 0.317 4.994 4.660 0.028 0.000 0.341 203 W C 0.305 176.846 176.519 0.037 0.000 1.298 203 W CA 0.009 57.436 57.345 0.137 0.000 1.266 203 W CB 0.260 29.741 29.460 0.036 0.000 1.172 203 W HN 0.300 nan 8.180 nan 0.000 0.568 204 R N 4.528 125.209 120.500 0.301 0.000 2.230 204 R HA 0.398 4.755 4.340 0.028 0.000 0.337 204 R C -0.061 176.250 176.300 0.019 0.000 1.063 204 R CA -0.201 55.995 56.100 0.160 0.000 0.935 204 R CB -0.005 30.459 30.300 0.273 0.000 1.121 204 R HN 0.549 nan 8.270 nan 0.000 0.486 205 M N 0.200 119.699 119.600 -0.168 0.000 2.739 205 M HA 0.539 5.036 4.480 0.028 0.000 0.284 205 M C 0.020 175.963 176.300 -0.594 0.000 1.103 205 M CA -0.821 54.254 55.300 -0.374 0.000 0.809 205 M CB 2.051 34.426 32.600 -0.374 0.000 1.708 205 M HN 0.614 nan 8.290 nan 0.000 0.481 206 S N -1.394 113.816 115.700 -0.816 0.000 2.636 206 S HA 0.892 5.378 4.470 0.028 0.000 0.266 206 S C -0.623 173.432 174.600 -0.908 0.000 1.147 206 S CA -0.229 57.411 58.200 -0.932 0.000 0.815 206 S CB 1.575 64.073 63.200 -1.169 0.000 1.119 206 S HN 1.485 nan 8.310 nan 0.000 0.470 207 G N -0.120 108.391 108.800 -0.481 0.000 2.343 207 G HA2 0.203 4.180 3.960 0.028 0.000 0.562 207 G HA3 0.203 4.180 3.960 0.028 0.000 0.562 207 G C -1.490 173.418 174.900 0.012 0.000 1.269 207 G CA -0.593 44.534 45.100 0.045 0.000 1.011 207 G HN 1.207 nan 8.290 nan 0.000 0.498 208 I N 2.011 122.440 120.570 -0.236 0.000 2.268 208 I HA 0.292 4.479 4.170 0.028 0.000 0.290 208 I C 1.120 177.080 176.117 -0.262 0.000 1.125 208 I CA -0.272 60.777 61.300 -0.419 0.000 1.236 208 I CB -0.109 37.385 38.000 -0.843 0.000 1.469 208 I HN 0.515 nan 8.210 nan 0.000 0.512 209 F N 3.979 123.766 119.950 -0.271 0.000 2.695 209 F HA 0.460 5.004 4.527 0.027 0.000 0.303 209 F C 0.671 176.381 175.800 -0.149 0.000 1.091 209 F CA -0.559 57.318 58.000 -0.206 0.000 1.300 209 F CB 0.125 39.008 39.000 -0.194 0.000 1.071 209 F HN 0.114 nan 8.300 nan 0.000 0.578 210 R N 0.700 120.713 120.500 -0.812 0.000 2.888 210 R HA 0.235 4.592 4.340 0.028 0.000 0.266 210 R C -0.771 175.305 176.300 -0.374 0.000 1.020 210 R CA -1.178 54.571 56.100 -0.586 0.000 0.963 210 R CB 0.882 30.779 30.300 -0.672 0.000 1.197 210 R HN -0.028 nan 8.270 nan 0.000 0.481 211 D N 0.887 121.123 120.400 -0.274 0.000 2.478 211 D HA 0.064 4.721 4.640 0.028 0.000 0.234 211 D C -0.381 175.784 176.300 -0.224 0.000 1.154 211 D CA 0.548 54.428 54.000 -0.200 0.000 0.874 211 D CB 0.685 41.396 40.800 -0.148 0.000 1.198 211 D HN 0.002 nan 8.370 nan 0.000 0.455 212 V N 0.919 120.712 119.914 -0.202 0.000 2.604 212 V HA 0.617 4.753 4.120 0.028 0.000 0.305 212 V C 0.163 176.149 176.094 -0.181 0.000 1.043 212 V CA -0.607 61.521 62.300 -0.286 0.000 0.888 212 V CB 1.772 33.425 31.823 -0.284 0.000 0.995 212 V HN 0.772 nan 8.190 nan 0.000 0.429 213 S N 3.986 119.557 115.700 -0.215 0.000 2.638 213 S HA 0.876 5.363 4.470 0.028 0.000 0.274 213 S C -1.587 172.968 174.600 -0.076 0.000 1.157 213 S CA -0.812 57.327 58.200 -0.103 0.000 0.826 213 S CB 2.100 65.272 63.200 -0.047 0.000 1.139 213 S HN 0.538 nan 8.310 nan 0.000 0.474 214 L N 1.256 122.499 121.223 0.034 0.000 2.381 214 L HA 0.783 5.140 4.340 0.028 0.000 0.274 214 L C -1.606 175.449 176.870 0.307 0.000 0.988 214 L CA -0.641 54.294 54.840 0.158 0.000 0.824 214 L CB 1.686 43.831 42.059 0.143 0.000 1.263 214 L HN 0.852 nan 8.230 nan 0.000 0.410 215 L N 4.480 125.851 121.223 0.247 0.000 2.362 215 L HA 0.501 4.858 4.340 0.028 0.000 0.275 215 L C -1.058 175.795 176.870 -0.027 0.000 0.998 215 L CA -0.159 54.753 54.840 0.119 0.000 0.820 215 L CB 1.275 43.376 42.059 0.069 0.000 1.270 215 L HN 0.638 nan 8.230 nan 0.000 0.415 216 H N 5.219 124.019 119.070 -0.450 0.000 2.467 216 H HA 0.491 5.063 4.556 0.028 0.000 0.326 216 H C -1.238 173.845 175.328 -0.408 0.000 1.094 216 H CA -0.670 54.969 56.048 -0.681 0.000 1.253 216 H CB 1.224 30.040 29.762 -1.578 0.000 1.439 216 H HN 0.508 nan 8.280 nan 0.000 0.479 217 K N 5.441 125.345 120.400 -0.826 0.000 2.375 217 K HA 0.355 4.691 4.320 0.028 0.000 0.249 217 K C -2.719 173.546 176.600 -0.559 0.000 0.942 217 K CA -2.048 53.928 56.287 -0.518 0.000 0.806 217 K CB 2.295 34.593 32.500 -0.337 0.000 1.227 217 K HN 0.495 nan 8.250 nan 0.000 0.430 218 P HA 0.140 nan 4.420 nan 0.000 0.274 218 P C 0.555 177.755 177.300 -0.166 0.000 1.256 218 P CA -0.166 62.828 63.100 -0.177 0.000 0.795 218 P CB 0.480 32.134 31.700 -0.077 0.000 1.038 219 T N -1.272 113.220 114.554 -0.103 0.000 2.867 219 T HA -0.025 4.342 4.350 0.028 0.000 0.268 219 T C 0.580 175.230 174.700 -0.083 0.000 1.057 219 T CA 1.553 63.603 62.100 -0.084 0.000 1.136 219 T CB -0.473 68.368 68.868 -0.045 0.000 0.874 219 T HN 0.408 nan 8.240 nan 0.000 0.466 220 T N 3.599 118.108 114.554 -0.074 0.000 2.753 220 T HA 0.489 4.855 4.350 0.028 0.000 0.297 220 T C -0.342 174.305 174.700 -0.089 0.000 0.981 220 T CA -0.653 61.397 62.100 -0.084 0.000 0.956 220 T CB 0.788 69.620 68.868 -0.059 0.000 0.936 220 T HN 0.457 nan 8.240 nan 0.000 0.463 221 Q N 2.395 122.126 119.800 -0.114 0.000 2.590 221 Q HA 0.573 4.930 4.340 0.028 0.000 0.295 221 Q C -1.266 174.661 176.000 -0.121 0.000 0.973 221 Q CA -1.177 54.547 55.803 -0.131 0.000 0.768 221 Q CB 1.186 29.813 28.738 -0.186 0.000 1.479 221 Q HN 0.449 nan 8.270 nan 0.000 0.419 222 I N 2.677 123.149 120.570 -0.163 0.000 2.421 222 I HA 0.009 4.196 4.170 0.028 0.000 0.291 222 I C 0.803 176.809 176.117 -0.186 0.000 1.089 222 I CA 0.121 61.342 61.300 -0.132 0.000 1.354 222 I CB 0.905 38.799 38.000 -0.176 0.000 1.413 222 I HN 0.837 nan 8.210 nan 0.000 0.513 223 S N 2.687 118.391 115.700 0.007 0.000 2.503 223 S HA 0.193 4.680 4.470 0.028 0.000 0.215 223 S C 0.229 175.029 174.600 0.334 0.000 1.003 223 S CA -0.231 58.036 58.200 0.112 0.000 0.910 223 S CB 0.266 63.492 63.200 0.042 0.000 0.790 223 S HN 0.701 nan 8.310 nan 0.000 0.514 224 D N -0.324 120.266 120.400 0.316 0.000 2.728 224 D HA 0.497 5.154 4.640 0.028 0.000 0.249 224 D C -1.977 174.458 176.300 0.225 0.000 1.225 224 D CA -0.710 53.451 54.000 0.267 0.000 0.748 224 D CB 1.518 42.364 40.800 0.076 0.000 1.326 224 D HN 0.206 nan 8.370 nan 0.000 0.426 225 F N -0.452 119.497 119.950 -0.002 0.000 2.635 225 F HA 0.592 5.136 4.527 0.028 0.000 0.314 225 F C -1.601 174.201 175.800 0.003 0.000 1.119 225 F CA -0.738 57.207 58.000 -0.091 0.000 1.000 225 F CB 1.103 40.118 39.000 0.024 0.000 1.278 225 F HN 0.245 nan 8.300 nan 0.000 0.446 226 H N 2.166 121.267 119.070 0.051 0.000 2.538 226 H HA 0.762 5.335 4.556 0.029 0.000 0.353 226 H C -1.214 174.142 175.328 0.045 0.000 1.109 226 H CA -1.522 54.505 56.048 -0.035 0.000 1.192 226 H CB 2.656 32.393 29.762 -0.042 0.000 1.555 226 H HN 0.610 nan 8.280 nan 0.000 0.518 227 V N 2.162 122.166 119.914 0.150 0.000 2.459 227 V HA 0.669 4.805 4.120 0.028 0.000 0.295 227 V C -0.236 175.846 176.094 -0.019 0.000 1.029 227 V CA -0.591 61.750 62.300 0.068 0.000 0.874 227 V CB 1.316 33.173 31.823 0.057 0.000 0.985 227 V HN 0.921 nan 8.190 nan 0.000 0.438 228 A N 3.131 125.912 122.820 -0.065 0.000 2.414 228 A HA 0.917 5.254 4.320 0.028 0.000 0.306 228 A C -0.170 177.297 177.584 -0.195 0.000 1.054 228 A CA -0.522 51.455 52.037 -0.100 0.000 0.724 228 A CB 1.956 20.921 19.000 -0.059 0.000 1.267 228 A HN 0.924 nan 8.150 nan 0.000 0.418 229 T N -0.339 114.076 114.554 -0.233 0.000 2.840 229 T HA 0.696 5.063 4.350 0.028 0.000 0.287 229 T C -0.410 174.049 174.700 -0.400 0.000 0.991 229 T CA -0.777 61.076 62.100 -0.412 0.000 0.964 229 T CB 0.917 69.404 68.868 -0.636 0.000 0.954 229 T HN 1.011 nan 8.240 nan 0.000 0.438 230 R N 2.026 122.235 120.500 -0.486 0.000 2.711 230 R HA 0.835 5.191 4.340 0.028 0.000 0.284 230 R C -1.677 174.263 176.300 -0.601 0.000 0.968 230 R CA -0.934 54.954 56.100 -0.352 0.000 0.924 230 R CB 1.300 31.529 30.300 -0.117 0.000 1.162 230 R HN 0.479 nan 8.270 nan 0.000 0.465 231 F N 0.593 120.510 119.950 -0.055 0.000 2.611 231 F HA 0.379 4.922 4.527 0.026 0.000 0.324 231 F C 0.119 175.770 175.800 -0.247 0.000 1.061 231 F CA -1.065 56.842 58.000 -0.154 0.000 0.954 231 F CB 1.509 40.291 39.000 -0.365 0.000 1.301 231 F HN 0.711 nan 8.300 nan 0.000 0.482 232 N N -0.109 118.570 118.700 -0.035 0.000 2.413 232 N HA 0.074 4.830 4.740 0.028 0.000 0.266 232 N C 0.422 175.794 175.510 -0.230 0.000 1.238 232 N CA -0.205 52.791 53.050 -0.091 0.000 0.972 232 N CB 0.181 38.644 38.487 -0.040 0.000 1.210 232 N HN 0.678 nan 8.380 nan 0.000 0.547 233 D N -0.941 119.373 120.400 -0.143 0.000 2.133 233 D HA -0.268 4.389 4.640 0.028 0.000 0.195 233 D C 0.396 176.630 176.300 -0.111 0.000 0.997 233 D CA 1.824 55.747 54.000 -0.127 0.000 0.840 233 D CB -0.521 40.258 40.800 -0.034 0.000 0.947 233 D HN 0.748 nan 8.370 nan 0.000 0.452 234 D N -1.783 118.598 120.400 -0.032 0.000 2.402 234 D HA 0.027 4.683 4.640 0.028 0.000 0.216 234 D C 0.124 176.596 176.300 0.286 0.000 1.128 234 D CA -0.879 53.207 54.000 0.144 0.000 0.833 234 D CB -0.903 39.975 40.800 0.131 0.000 0.971 234 D HN 0.266 nan 8.370 nan 0.000 0.503 235 F N 0.321 120.326 119.950 0.092 0.000 2.953 235 F HA -0.288 4.255 4.527 0.025 0.000 0.292 235 F C 1.594 177.478 175.800 0.139 0.000 0.747 235 F CA 0.818 58.883 58.000 0.110 0.000 1.222 235 F CB -2.442 36.516 39.000 -0.070 0.000 1.457 235 F HN 0.189 nan 8.300 nan 0.000 0.383 236 S N -0.917 114.897 115.700 0.189 0.000 2.558 236 S HA 0.279 4.765 4.470 0.028 0.000 0.217 236 S C 0.591 175.249 174.600 0.097 0.000 0.975 236 S CA -0.035 58.246 58.200 0.135 0.000 0.912 236 S CB 0.324 63.579 63.200 0.091 0.000 0.776 236 S HN 0.459 nan 8.310 nan 0.000 0.526 237 R N 0.222 120.784 120.500 0.102 0.000 2.651 237 R HA 0.816 5.173 4.340 0.028 0.000 0.278 237 R C -1.226 175.104 176.300 0.049 0.000 1.010 237 R CA -0.486 55.639 56.100 0.042 0.000 0.896 237 R CB 2.080 32.383 30.300 0.006 0.000 1.211 237 R HN 0.204 nan 8.270 nan 0.000 0.456 238 A N 1.600 124.395 122.820 -0.042 0.000 2.532 238 A HA 0.812 5.149 4.320 0.028 0.000 0.290 238 A C -1.263 176.248 177.584 -0.122 0.000 1.143 238 A CA -0.743 51.191 52.037 -0.172 0.000 0.728 238 A CB 2.118 21.022 19.000 -0.160 0.000 1.317 238 A HN 0.330 nan 8.150 nan 0.000 0.414 239 V N 0.939 120.756 119.914 -0.162 0.000 2.531 239 V HA 0.427 4.564 4.120 0.028 0.000 0.301 239 V C -0.704 175.328 176.094 -0.104 0.000 1.034 239 V CA -0.344 61.898 62.300 -0.096 0.000 0.865 239 V CB 1.517 33.281 31.823 -0.097 0.000 0.995 239 V HN 0.798 nan 8.190 nan 0.000 0.424 240 L N 4.450 125.648 121.223 -0.041 0.000 2.265 240 L HA 0.587 4.943 4.340 0.028 0.000 0.288 240 L C 0.040 176.863 176.870 -0.079 0.000 1.058 240 L CA 0.095 54.879 54.840 -0.094 0.000 0.809 240 L CB 0.962 42.999 42.059 -0.037 0.000 1.179 240 L HN 0.801 nan 8.230 nan 0.000 0.429 241 E N 4.499 124.646 120.200 -0.088 0.000 2.165 241 E HA 0.652 5.019 4.350 0.028 0.000 0.266 241 E C -1.404 175.183 176.600 -0.022 0.000 0.889 241 E CA -0.753 55.617 56.400 -0.050 0.000 0.756 241 E CB 1.623 31.294 29.700 -0.048 0.000 1.131 241 E HN 0.696 nan 8.360 nan 0.000 0.411 242 A N 4.733 127.549 122.820 -0.005 0.000 2.311 242 A HA 0.303 4.640 4.320 0.028 0.000 0.306 242 A C -0.741 176.853 177.584 0.015 0.000 1.189 242 A CA -0.684 51.374 52.037 0.035 0.000 0.791 242 A CB 1.053 20.074 19.000 0.035 0.000 1.172 242 A HN 0.735 nan 8.150 nan 0.000 0.481 243 E N 2.713 122.927 120.200 0.024 0.000 2.174 243 E HA 0.550 4.916 4.350 0.028 0.000 0.282 243 E C -1.388 175.183 176.600 -0.048 0.000 0.992 243 E CA -0.377 56.004 56.400 -0.032 0.000 0.803 243 E CB 1.170 30.835 29.700 -0.058 0.000 1.090 243 E HN 0.367 nan 8.360 nan 0.000 0.396 244 V N 4.805 124.707 119.914 -0.020 0.000 2.540 244 V HA 0.297 4.434 4.120 0.028 0.000 0.302 244 V C -0.540 175.626 176.094 0.120 0.000 1.035 244 V CA -0.819 61.510 62.300 0.048 0.000 0.873 244 V CB 1.691 33.522 31.823 0.015 0.000 0.992 244 V HN 0.739 nan 8.190 nan 0.000 0.428 245 Q N 4.371 124.240 119.800 0.116 0.000 2.337 245 Q HA 0.813 5.170 4.340 0.028 0.000 0.266 245 Q C -0.798 175.261 176.000 0.097 0.000 1.023 245 Q CA -0.869 54.994 55.803 0.100 0.000 0.829 245 Q CB 2.701 31.424 28.738 -0.025 0.000 1.306 245 Q HN 0.816 nan 8.270 nan 0.000 0.449 246 M N -0.648 118.927 119.600 -0.041 0.000 2.716 246 M HA 0.774 5.271 4.480 0.028 0.000 0.307 246 M C -1.277 174.918 176.300 -0.176 0.000 1.223 246 M CA -0.498 54.704 55.300 -0.163 0.000 0.871 246 M CB 1.666 34.010 32.600 -0.427 0.000 1.739 246 M HN 0.549 nan 8.290 nan 0.000 0.475 247 C N 0.721 119.931 119.300 -0.151 0.000 2.707 247 C HA 1.017 5.494 4.460 0.028 0.000 0.313 247 C C 0.625 175.533 174.990 -0.137 0.000 1.209 247 C CA 0.688 59.634 59.018 -0.121 0.000 1.635 247 C CB 1.071 28.767 27.740 -0.073 0.000 2.206 247 C HN 1.425 nan 8.230 nan 0.000 0.485 248 G N 1.763 110.494 108.800 -0.115 0.000 2.472 248 G HA2 -0.058 3.918 3.960 0.028 0.000 0.205 248 G HA3 -0.058 3.918 3.960 0.028 0.000 0.205 248 G C -0.858 173.968 174.900 -0.124 0.000 1.270 248 G CA -0.543 44.493 45.100 -0.105 0.000 0.974 248 G HN 0.857 nan 8.290 nan 0.000 0.542 249 E N 0.300 120.434 120.200 -0.110 0.000 2.180 249 E HA 0.389 4.755 4.350 0.028 0.000 0.283 249 E C 0.310 176.803 176.600 -0.179 0.000 1.061 249 E CA -0.305 56.024 56.400 -0.119 0.000 0.861 249 E CB 0.432 30.086 29.700 -0.076 0.000 1.056 249 E HN 0.395 nan 8.360 nan 0.000 0.407 250 L N 5.007 126.115 121.223 -0.190 0.000 2.380 250 L HA 0.246 4.603 4.340 0.028 0.000 0.273 250 L C 0.368 177.096 176.870 -0.236 0.000 1.138 250 L CA -0.003 54.694 54.840 -0.238 0.000 0.832 250 L CB 0.394 42.331 42.059 -0.203 0.000 1.124 250 L HN 0.338 nan 8.230 nan 0.000 0.454 251 R N 1.591 121.890 120.500 -0.336 0.000 2.771 251 R HA 0.219 4.576 4.340 0.028 0.000 0.274 251 R C -0.119 175.967 176.300 -0.356 0.000 0.987 251 R CA -0.862 54.982 56.100 -0.427 0.000 0.908 251 R CB 1.203 30.947 30.300 -0.926 0.000 1.213 251 R HN 0.471 nan 8.270 nan 0.000 0.468 252 D N 0.690 120.970 120.400 -0.201 0.000 2.218 252 D HA -0.144 4.513 4.640 0.028 0.000 0.204 252 D C 1.517 177.800 176.300 -0.028 0.000 0.976 252 D CA 1.550 55.510 54.000 -0.067 0.000 0.853 252 D CB -0.000 40.807 40.800 0.013 0.000 0.939 252 D HN 0.587 nan 8.370 nan 0.000 0.481 253 Y N -0.299 120.016 120.300 0.024 0.000 2.578 253 Y HA 0.231 4.798 4.550 0.028 0.000 0.297 253 Y C 0.563 176.472 175.900 0.016 0.000 1.176 253 Y CA -0.347 57.765 58.100 0.020 0.000 1.315 253 Y CB -0.944 37.528 38.460 0.020 0.000 1.031 253 Y HN -0.188 nan 8.280 nan 0.000 0.524 254 L N 2.667 123.805 121.223 -0.142 0.000 2.439 254 L HA 0.318 4.675 4.340 0.028 0.000 0.269 254 L C 0.252 177.105 176.870 -0.028 0.000 1.179 254 L CA -0.126 54.708 54.840 -0.011 0.000 0.828 254 L CB 0.457 42.539 42.059 0.038 0.000 1.106 254 L HN 0.178 nan 8.230 nan 0.000 0.467 255 R N 1.745 122.124 120.500 -0.201 0.000 2.774 255 R HA 0.687 5.044 4.340 0.028 0.000 0.272 255 R C -1.537 174.401 176.300 -0.604 0.000 1.000 255 R CA -0.844 55.011 56.100 -0.409 0.000 0.906 255 R CB 2.122 32.138 30.300 -0.472 0.000 1.227 255 R HN 0.272 nan 8.270 nan 0.000 0.468 256 V N 0.984 120.594 119.914 -0.507 0.000 2.540 256 V HA 0.453 4.589 4.120 0.028 0.000 0.302 256 V C -0.298 175.718 176.094 -0.129 0.000 1.035 256 V CA -0.533 61.551 62.300 -0.360 0.000 0.873 256 V CB 2.198 33.746 31.823 -0.458 0.000 0.992 256 V HN 0.710 nan 8.190 nan 0.000 0.428 257 T N 4.206 118.805 114.554 0.075 0.000 2.807 257 T HA 0.631 4.997 4.350 0.028 0.000 0.279 257 T C -0.642 174.072 174.700 0.024 0.000 0.993 257 T CA -0.336 61.833 62.100 0.114 0.000 0.970 257 T CB 1.655 70.655 68.868 0.220 0.000 0.950 257 T HN 0.348 nan 8.240 nan 0.000 0.441 258 V N 3.923 123.830 119.914 -0.011 0.000 2.444 258 V HA 0.659 4.796 4.120 0.028 0.000 0.294 258 V C -0.090 176.000 176.094 -0.006 0.000 1.022 258 V CA -0.782 61.507 62.300 -0.018 0.000 0.850 258 V CB 1.729 33.530 31.823 -0.036 0.000 0.992 258 V HN 1.047 nan 8.190 nan 0.000 0.426 259 S N 5.173 120.892 115.700 0.033 0.000 2.536 259 S HA 0.872 5.359 4.470 0.028 0.000 0.298 259 S C -1.098 173.520 174.600 0.030 0.000 1.083 259 S CA -0.790 57.404 58.200 -0.009 0.000 0.995 259 S CB 2.232 65.441 63.200 0.014 0.000 1.058 259 S HN 0.546 nan 8.310 nan 0.000 0.488 260 L N 2.223 123.371 121.223 -0.125 0.000 2.333 260 L HA 0.792 5.149 4.340 0.028 0.000 0.280 260 L C -1.970 174.833 176.870 -0.112 0.000 1.004 260 L CA -0.280 54.578 54.840 0.031 0.000 0.820 260 L CB 0.864 42.959 42.059 0.060 0.000 1.247 260 L HN 0.892 nan 8.230 nan 0.000 0.416 261 W N 3.481 124.886 121.300 0.174 0.000 2.761 261 W HA 0.582 5.258 4.660 0.027 0.000 0.340 261 W C -0.492 176.122 176.519 0.158 0.000 1.072 261 W CA -0.501 56.925 57.345 0.135 0.000 1.215 261 W CB 1.299 30.788 29.460 0.047 0.000 1.420 261 W HN 0.360 nan 8.180 nan 0.000 0.519 262 Q N 2.390 122.366 119.800 0.293 0.000 2.413 262 Q HA 0.444 4.801 4.340 0.028 0.000 0.258 262 Q C 0.687 176.717 176.000 0.051 0.000 1.037 262 Q CA 0.537 56.326 55.803 -0.024 0.000 0.764 262 Q CB 0.861 29.495 28.738 -0.174 0.000 1.217 262 Q HN 0.820 nan 8.270 nan 0.000 0.490 263 G N 3.693 112.516 108.800 0.038 0.000 2.583 263 G HA2 -0.338 3.638 3.960 0.028 0.000 0.292 263 G HA3 -0.338 3.638 3.960 0.028 0.000 0.292 263 G C 0.405 175.371 174.900 0.111 0.000 1.203 263 G CA 0.364 45.486 45.100 0.037 0.000 0.987 263 G HN 0.672 nan 8.290 nan 0.000 0.554 264 E N 1.120 121.380 120.200 0.099 0.000 2.465 264 E HA 0.173 4.540 4.350 0.028 0.000 0.191 264 E C 0.282 177.076 176.600 0.323 0.000 1.053 264 E CA 0.483 56.964 56.400 0.136 0.000 0.869 264 E CB 0.101 29.826 29.700 0.042 0.000 0.977 264 E HN 0.337 nan 8.360 nan 0.000 0.483 265 T N 0.890 115.635 114.554 0.317 0.000 2.771 265 T HA 0.147 4.513 4.350 0.028 0.000 0.281 265 T C -0.232 174.564 174.700 0.160 0.000 0.982 265 T CA -0.394 61.847 62.100 0.235 0.000 0.978 265 T CB 1.832 70.759 68.868 0.099 0.000 0.930 265 T HN 0.021 nan 8.240 nan 0.000 0.447 266 Q N 3.074 122.732 119.800 -0.237 0.000 2.296 266 Q HA 0.229 4.586 4.340 0.028 0.000 0.263 266 Q C 0.521 176.274 176.000 -0.412 0.000 1.026 266 Q CA -0.257 55.017 55.803 -0.881 0.000 0.912 266 Q CB 0.642 28.633 28.738 -1.245 0.000 1.198 266 Q HN 0.534 nan 8.270 nan 0.000 0.407 267 V N 3.144 122.871 119.914 -0.312 0.000 2.599 267 V HA 0.204 4.340 4.120 0.028 0.000 0.245 267 V C 0.328 176.320 176.094 -0.169 0.000 1.046 267 V CA 1.414 63.633 62.300 -0.136 0.000 1.065 267 V CB 0.259 32.090 31.823 0.012 0.000 0.703 267 V HN 0.841 nan 8.190 nan 0.000 0.464 268 A N -1.476 121.203 122.820 -0.234 0.000 2.586 268 A HA 0.741 5.078 4.320 0.028 0.000 0.291 268 A C -0.810 176.654 177.584 -0.199 0.000 1.062 268 A CA 0.125 52.056 52.037 -0.178 0.000 0.666 268 A CB 1.701 20.635 19.000 -0.111 0.000 1.281 268 A HN 0.074 nan 8.150 nan 0.000 0.421 269 S N -1.124 114.490 115.700 -0.142 0.000 2.547 269 S HA 0.839 5.326 4.470 0.028 0.000 0.270 269 S C -0.584 173.973 174.600 -0.072 0.000 1.150 269 S CA 0.261 58.393 58.200 -0.115 0.000 0.850 269 S CB 1.723 64.844 63.200 -0.131 0.000 1.118 269 S HN 2.458 nan 8.310 nan 0.000 0.461 270 G N 1.437 110.208 108.800 -0.049 0.000 2.742 270 G HA2 0.626 4.603 3.960 0.028 0.000 0.296 270 G HA3 0.626 4.603 3.960 0.028 0.000 0.296 270 G C -1.453 173.429 174.900 -0.030 0.000 1.436 270 G CA -0.402 44.673 45.100 -0.041 0.000 0.928 270 G HN 0.748 nan 8.290 nan 0.000 0.520 271 T N -0.381 114.156 114.554 -0.027 0.000 2.906 271 T HA 0.908 5.275 4.350 0.028 0.000 0.295 271 T C -0.316 174.348 174.700 -0.060 0.000 1.061 271 T CA 0.071 62.156 62.100 -0.024 0.000 1.000 271 T CB 1.896 70.783 68.868 0.032 0.000 1.103 271 T HN 1.803 nan 8.240 nan 0.000 0.486 272 A N 2.638 125.392 122.820 -0.110 0.000 2.597 272 A HA 0.877 5.214 4.320 0.028 0.000 0.292 272 A C -3.180 174.282 177.584 -0.203 0.000 1.057 272 A CA -1.431 50.531 52.037 -0.126 0.000 0.674 272 A CB 1.086 20.009 19.000 -0.129 0.000 1.278 272 A HN 0.538 nan 8.150 nan 0.000 0.416 273 P HA 0.593 nan 4.420 nan 0.000 0.280 273 P C -0.495 176.698 177.300 -0.179 0.000 1.272 273 P CA -0.373 62.642 63.100 -0.141 0.000 0.819 273 P CB 0.400 32.081 31.700 -0.031 0.000 1.122 274 F N -0.051 119.858 119.950 -0.069 0.000 2.485 274 F HA 0.447 4.990 4.527 0.027 0.000 0.327 274 F C 1.494 177.276 175.800 -0.029 0.000 1.203 274 F CA 1.637 59.606 58.000 -0.051 0.000 1.295 274 F CB 0.109 39.071 39.000 -0.063 0.000 1.191 274 F HN 0.590 nan 8.300 nan 0.000 0.588 275 G N 1.125 110.070 108.800 0.241 0.000 3.071 275 G HA2 0.352 4.328 3.960 0.028 0.000 0.620 275 G HA3 0.352 4.328 3.960 0.028 0.000 0.620 275 G C -0.641 174.321 174.900 0.103 0.000 1.204 275 G CA -0.739 44.444 45.100 0.139 0.000 1.200 275 G HN 1.028 nan 8.290 nan 0.000 0.530 276 G N 0.740 109.617 108.800 0.130 0.000 2.502 276 G HA2 0.783 4.759 3.960 0.028 0.000 0.305 276 G HA3 0.783 4.759 3.960 0.028 0.000 0.305 276 G C 0.418 175.367 174.900 0.082 0.000 1.190 276 G CA -0.027 45.137 45.100 0.107 0.000 0.933 276 G HN 1.150 nan 8.290 nan 0.000 0.503 277 E N -0.484 119.754 120.200 0.063 0.000 2.442 277 E HA 0.063 4.430 4.350 0.028 0.000 0.260 277 E C -0.248 176.380 176.600 0.047 0.000 1.148 277 E CA -0.650 55.776 56.400 0.044 0.000 0.976 277 E CB 0.511 30.231 29.700 0.034 0.000 0.967 277 E HN 0.070 nan 8.360 nan 0.000 0.454 278 I N 2.148 122.732 120.570 0.024 0.000 2.683 278 I HA -0.135 4.051 4.170 0.028 0.000 0.286 278 I C 1.067 177.194 176.117 0.016 0.000 1.175 278 I CA 0.018 61.324 61.300 0.010 0.000 1.429 278 I CB 0.007 38.008 38.000 0.001 0.000 1.371 278 I HN 0.676 nan 8.210 nan 0.000 0.569 279 I N 4.322 124.895 120.570 0.005 0.000 3.039 279 I HA 0.048 4.235 4.170 0.028 0.000 0.270 279 I C 0.650 176.765 176.117 -0.002 0.000 1.150 279 I CA 0.904 62.215 61.300 0.018 0.000 1.448 279 I CB -0.546 37.462 38.000 0.013 0.000 1.197 279 I HN 0.652 nan 8.210 nan 0.000 0.450 280 D N -1.526 118.859 120.400 -0.025 0.000 3.103 280 D HA 0.121 4.778 4.640 0.028 0.000 0.337 280 D C 0.497 176.779 176.300 -0.029 0.000 1.356 280 D CA -0.415 53.571 54.000 -0.023 0.000 0.951 280 D CB 0.518 41.301 40.800 -0.029 0.000 1.438 280 D HN -0.266 nan 8.370 nan 0.000 0.562 281 E N -0.896 119.288 120.200 -0.026 0.000 2.160 281 E HA -0.064 4.303 4.350 0.028 0.000 0.195 281 E C 1.479 178.059 176.600 -0.033 0.000 0.991 281 E CA 1.085 57.471 56.400 -0.025 0.000 0.810 281 E CB -0.036 29.652 29.700 -0.019 0.000 0.742 281 E HN 0.204 nan 8.360 nan 0.000 0.466 282 R N -0.238 120.234 120.500 -0.048 0.000 2.310 282 R HA 0.256 4.613 4.340 0.028 0.000 0.202 282 R C 0.907 177.166 176.300 -0.070 0.000 0.933 282 R CA 0.754 56.819 56.100 -0.059 0.000 1.054 282 R CB 0.341 30.598 30.300 -0.072 0.000 0.985 282 R HN 0.237 nan 8.270 nan 0.000 0.489 283 G N -0.725 108.036 108.800 -0.065 0.000 2.460 283 G HA2 -0.129 3.847 3.960 0.028 0.000 0.207 283 G HA3 -0.129 3.847 3.960 0.028 0.000 0.207 283 G C -0.156 174.695 174.900 -0.080 0.000 1.170 283 G CA -0.587 44.477 45.100 -0.061 0.000 1.151 283 G HN 0.496 nan 8.290 nan 0.000 0.575 284 G N -1.859 106.893 108.800 -0.081 0.000 3.140 284 G HA2 0.644 4.621 3.960 0.028 0.000 0.271 284 G HA3 0.644 4.621 3.960 0.028 0.000 0.271 284 G C -1.563 173.254 174.900 -0.139 0.000 1.370 284 G CA -0.743 44.317 45.100 -0.067 0.000 1.014 284 G HN 0.747 nan 8.290 nan 0.000 0.541 285 Y N 0.869 121.179 120.300 0.015 0.000 2.425 285 Y HA 0.419 4.985 4.550 0.027 0.000 0.347 285 Y C 1.419 177.335 175.900 0.026 0.000 0.976 285 Y CA 0.086 58.195 58.100 0.015 0.000 1.190 285 Y CB 1.812 40.287 38.460 0.026 0.000 1.136 285 Y HN 0.547 nan 8.280 nan 0.000 0.517 286 A N 1.808 124.697 122.820 0.114 0.000 2.066 286 A HA -0.133 4.204 4.320 0.028 0.000 0.218 286 A C 1.332 178.958 177.584 0.070 0.000 1.157 286 A CA 1.365 53.447 52.037 0.074 0.000 0.670 286 A CB -0.247 18.758 19.000 0.007 0.000 0.804 286 A HN 0.795 nan 8.150 nan 0.000 0.453 287 D N -0.765 119.671 120.400 0.060 0.000 2.395 287 D HA 0.137 4.793 4.640 0.028 0.000 0.226 287 D C 0.444 176.768 176.300 0.040 0.000 1.146 287 D CA -0.053 53.878 54.000 -0.115 0.000 0.830 287 D CB -0.022 40.706 40.800 -0.119 0.000 0.958 287 D HN 0.381 nan 8.370 nan 0.000 0.501 288 R N -0.742 119.931 120.500 0.289 0.000 2.836 288 R HA 0.751 5.108 4.340 0.028 0.000 0.269 288 R C -1.581 174.897 176.300 0.296 0.000 1.010 288 R CA -1.160 55.121 56.100 0.302 0.000 0.930 288 R CB 3.071 33.402 30.300 0.051 0.000 1.218 288 R HN -0.021 nan 8.270 nan 0.000 0.473 289 V N 0.377 120.354 119.914 0.106 0.000 3.000 289 V HA 0.460 4.597 4.120 0.028 0.000 0.300 289 V C -1.545 174.509 176.094 -0.066 0.000 1.251 289 V CA -0.301 61.971 62.300 -0.046 0.000 0.972 289 V CB 2.739 34.408 31.823 -0.257 0.000 1.065 289 V HN 0.823 nan 8.190 nan 0.000 0.431 290 T N 7.524 122.047 114.554 -0.052 0.000 2.786 290 T HA 0.588 4.954 4.350 0.028 0.000 0.283 290 T C -0.877 173.790 174.700 -0.055 0.000 0.992 290 T CA -0.413 61.661 62.100 -0.043 0.000 0.954 290 T CB 1.025 69.881 68.868 -0.021 0.000 0.934 290 T HN 0.428 nan 8.240 nan 0.000 0.440 291 L N 3.708 124.897 121.223 -0.057 0.000 2.309 291 L HA 0.553 4.909 4.340 0.028 0.000 0.282 291 L C 0.458 177.301 176.870 -0.045 0.000 1.036 291 L CA -0.399 54.407 54.840 -0.058 0.000 0.806 291 L CB 1.387 43.408 42.059 -0.063 0.000 1.220 291 L HN 0.533 nan 8.230 nan 0.000 0.429 292 R N 4.625 125.099 120.500 -0.044 0.000 2.393 292 R HA 0.689 5.045 4.340 0.028 0.000 0.315 292 R C -1.140 175.134 176.300 -0.043 0.000 0.952 292 R CA -0.699 55.376 56.100 -0.043 0.000 0.842 292 R CB 1.981 32.257 30.300 -0.040 0.000 1.163 292 R HN 0.477 nan 8.270 nan 0.000 0.450 293 L N 2.870 124.068 121.223 -0.042 0.000 2.362 293 L HA 0.437 4.793 4.340 0.028 0.000 0.275 293 L C -0.467 176.379 176.870 -0.040 0.000 0.998 293 L CA -1.098 53.718 54.840 -0.041 0.000 0.820 293 L CB 2.017 44.056 42.059 -0.035 0.000 1.270 293 L HN 0.502 nan 8.230 nan 0.000 0.415 294 N N 1.537 120.208 118.700 -0.049 0.000 2.514 294 N HA 0.409 5.165 4.740 0.028 0.000 0.277 294 N C -0.971 174.495 175.510 -0.073 0.000 1.126 294 N CA -0.242 52.775 53.050 -0.055 0.000 0.978 294 N CB 1.681 40.138 38.487 -0.051 0.000 1.106 294 N HN 0.226 nan 8.380 nan 0.000 0.461 295 V N 1.848 121.704 119.914 -0.096 0.000 2.409 295 V HA 0.268 4.404 4.120 0.028 0.000 0.290 295 V C -0.305 175.703 176.094 -0.143 0.000 1.017 295 V CA -0.846 61.350 62.300 -0.174 0.000 0.841 295 V CB 1.294 32.891 31.823 -0.377 0.000 1.003 295 V HN 0.563 nan 8.190 nan 0.000 0.426 296 E N 2.882 123.022 120.200 -0.101 0.000 2.266 296 E HA 0.317 4.684 4.350 0.028 0.000 0.277 296 E C 0.334 176.903 176.600 -0.051 0.000 1.018 296 E CA -0.362 56.004 56.400 -0.057 0.000 0.840 296 E CB 0.771 30.450 29.700 -0.035 0.000 1.082 296 E HN 0.753 nan 8.360 nan 0.000 0.395 297 N N 0.802 119.495 118.700 -0.011 0.000 2.716 297 N HA -0.155 4.601 4.740 0.028 0.000 0.250 297 N C -2.427 173.079 175.510 -0.007 0.000 1.033 297 N CA 0.216 53.274 53.050 0.014 0.000 0.727 297 N CB -1.135 37.365 38.487 0.021 0.000 0.950 297 N HN 0.348 nan 8.380 nan 0.000 0.541 298 P HA -0.038 nan 4.420 nan 0.000 0.268 298 P C -0.524 176.809 177.300 0.055 0.000 1.208 298 P CA 0.457 63.456 63.100 -0.169 0.000 0.777 298 P CB 0.693 32.127 31.700 -0.443 0.000 0.875 299 K N 2.501 123.013 120.400 0.188 0.000 2.310 299 K HA 0.288 4.625 4.320 0.028 0.000 0.290 299 K C 0.206 176.977 176.600 0.284 0.000 1.077 299 K CA -0.438 55.965 56.287 0.193 0.000 0.922 299 K CB 0.122 32.711 32.500 0.148 0.000 1.057 299 K HN 0.411 nan 8.250 nan 0.000 0.479 300 L N 2.821 124.146 121.223 0.170 0.000 2.426 300 L HA 0.163 4.519 4.340 0.028 0.000 0.271 300 L C 0.151 177.124 176.870 0.172 0.000 1.169 300 L CA -0.498 54.440 54.840 0.162 0.000 0.836 300 L CB 0.224 42.218 42.059 -0.107 0.000 1.112 300 L HN 0.607 nan 8.230 nan 0.000 0.465 301 W N 3.992 125.341 121.300 0.082 0.000 2.376 301 W HA 0.462 5.137 4.660 0.026 0.000 0.322 301 W C 0.101 176.586 176.519 -0.056 0.000 1.160 301 W CA 0.138 57.514 57.345 0.052 0.000 1.218 301 W CB 1.281 30.822 29.460 0.135 0.000 1.205 301 W HN 0.635 nan 8.180 nan 0.000 0.559 302 S N 2.744 117.975 115.700 -0.783 0.000 2.643 302 S HA 0.636 5.123 4.470 0.028 0.000 0.270 302 S C -0.079 173.752 174.600 -1.281 0.000 1.166 302 S CA -0.359 57.371 58.200 -0.783 0.000 0.815 302 S CB 1.083 64.134 63.200 -0.248 0.000 1.139 302 S HN 1.036 nan 8.310 nan 0.000 0.472 303 A N 0.197 122.449 122.820 -0.948 0.000 2.119 303 A HA 0.171 4.508 4.320 0.028 0.000 0.216 303 A C 1.653 178.925 177.584 -0.520 0.000 1.152 303 A CA 1.037 52.514 52.037 -0.934 0.000 0.708 303 A CB -0.796 17.468 19.000 -1.227 0.000 0.805 303 A HN 0.851 nan 8.150 nan 0.000 0.460 304 E N -0.805 119.220 120.200 -0.292 0.000 2.112 304 E HA 0.122 4.488 4.350 0.028 0.000 0.190 304 E C -0.425 176.045 176.600 -0.217 0.000 0.979 304 E CA 0.664 56.958 56.400 -0.176 0.000 0.814 304 E CB 0.119 29.842 29.700 0.038 0.000 0.762 304 E HN 0.594 nan 8.360 nan 0.000 0.460 305 I N 1.331 121.746 120.570 -0.260 0.000 2.586 305 I HA 0.133 4.320 4.170 0.028 0.000 0.281 305 I C -2.566 173.339 176.117 -0.352 0.000 1.145 305 I CA -1.755 59.412 61.300 -0.222 0.000 1.073 305 I CB 2.568 40.496 38.000 -0.119 0.000 1.238 305 I HN -0.215 nan 8.210 nan 0.000 0.461 306 P HA 0.094 nan 4.420 nan 0.000 0.218 306 P C -0.675 176.639 177.300 0.023 0.000 1.793 306 P CA -0.233 62.603 63.100 -0.440 0.000 0.941 306 P CB -0.300 31.255 31.700 -0.241 0.000 1.919 307 N N 1.543 120.285 118.700 0.069 0.000 2.447 307 N HA 0.119 4.876 4.740 0.028 0.000 0.263 307 N C 0.093 175.824 175.510 0.370 0.000 1.226 307 N CA 0.428 53.575 53.050 0.162 0.000 0.906 307 N CB 0.898 39.474 38.487 0.149 0.000 1.060 307 N HN 0.281 nan 8.380 nan 0.000 0.468 308 L N 2.267 123.626 121.223 0.228 0.000 2.354 308 L HA 0.488 4.844 4.340 0.028 0.000 0.264 308 L C -0.800 176.145 176.870 0.126 0.000 1.008 308 L CA -0.899 54.121 54.840 0.299 0.000 0.819 308 L CB 1.249 43.448 42.059 0.234 0.000 1.339 308 L HN 0.378 nan 8.230 nan 0.000 0.420 309 Y N 0.218 120.670 120.300 0.253 0.000 2.621 309 Y HA 0.649 5.216 4.550 0.028 0.000 0.334 309 Y C -0.168 175.854 175.900 0.203 0.000 1.074 309 Y CA -0.875 57.375 58.100 0.249 0.000 1.149 309 Y CB 1.618 40.288 38.460 0.349 0.000 1.302 309 Y HN 0.379 nan 8.280 nan 0.000 0.501 310 R N 1.038 121.769 120.500 0.385 0.000 2.437 310 R HA 0.798 5.155 4.340 0.028 0.000 0.310 310 R C -1.590 174.896 176.300 0.309 0.000 0.955 310 R CA -0.490 55.770 56.100 0.267 0.000 0.851 310 R CB 1.003 31.395 30.300 0.155 0.000 1.161 310 R HN 0.748 nan 8.270 nan 0.000 0.446 311 A N 3.872 126.820 122.820 0.213 0.000 2.276 311 A HA 0.622 4.958 4.320 0.028 0.000 0.316 311 A C -1.029 176.612 177.584 0.095 0.000 1.229 311 A CA -0.639 51.500 52.037 0.170 0.000 0.851 311 A CB 1.273 20.343 19.000 0.116 0.000 1.165 311 A HN 0.492 nan 8.150 nan 0.000 0.513 312 V N 3.355 123.332 119.914 0.104 0.000 2.448 312 V HA 0.393 4.530 4.120 0.028 0.000 0.295 312 V C -0.421 175.653 176.094 -0.034 0.000 1.025 312 V CA -0.483 61.829 62.300 0.019 0.000 0.859 312 V CB 1.661 33.512 31.823 0.047 0.000 0.988 312 V HN 0.619 nan 8.190 nan 0.000 0.431 313 V N 4.877 124.709 119.914 -0.137 0.000 2.313 313 V HA 0.428 4.565 4.120 0.028 0.000 0.278 313 V C -0.081 175.957 176.094 -0.093 0.000 1.017 313 V CA -0.543 61.649 62.300 -0.180 0.000 0.823 313 V CB 1.244 32.796 31.823 -0.452 0.000 1.010 313 V HN 0.920 nan 8.190 nan 0.000 0.443 314 E N 3.660 123.857 120.200 -0.005 0.000 2.166 314 E HA 0.532 4.899 4.350 0.028 0.000 0.275 314 E C -1.076 175.609 176.600 0.142 0.000 0.941 314 E CA -0.884 55.570 56.400 0.089 0.000 0.784 314 E CB 2.518 32.311 29.700 0.155 0.000 1.115 314 E HN 0.450 nan 8.360 nan 0.000 0.399 315 L N 4.647 125.934 121.223 0.106 0.000 2.272 315 L HA 0.423 4.779 4.340 0.028 0.000 0.289 315 L C -1.048 175.896 176.870 0.123 0.000 1.032 315 L CA 0.110 54.980 54.840 0.050 0.000 0.810 315 L CB 0.007 42.092 42.059 0.044 0.000 1.205 315 L HN 0.709 nan 8.230 nan 0.000 0.422 316 H N 0.096 119.201 119.070 0.059 0.000 2.883 316 H HA 0.726 5.299 4.556 0.028 0.000 0.277 316 H C -0.778 174.623 175.328 0.122 0.000 1.451 316 H CA -0.558 55.534 56.048 0.073 0.000 1.157 316 H CB 0.532 30.319 29.762 0.041 0.000 1.851 316 H HN 0.480 nan 8.280 nan 0.000 0.566 317 T N -2.145 112.575 114.554 0.276 0.000 2.927 317 T HA 0.572 4.939 4.350 0.028 0.000 0.281 317 T C 1.290 176.153 174.700 0.271 0.000 0.998 317 T CA -0.395 61.871 62.100 0.277 0.000 1.019 317 T CB 1.564 70.542 68.868 0.184 0.000 1.061 317 T HN 0.939 nan 8.240 nan 0.000 0.518 318 A N 0.924 123.872 122.820 0.212 0.000 2.067 318 A HA -0.041 4.295 4.320 0.028 0.000 0.219 318 A C 1.990 179.641 177.584 0.113 0.000 1.158 318 A CA 1.360 53.495 52.037 0.163 0.000 0.661 318 A CB -0.853 18.222 19.000 0.125 0.000 0.801 318 A HN 0.990 nan 8.150 nan 0.000 0.452 319 D N -1.424 119.016 120.400 0.067 0.000 2.371 319 D HA 0.127 4.784 4.640 0.028 0.000 0.221 319 D C 1.154 177.475 176.300 0.036 0.000 0.986 319 D CA 1.164 55.178 54.000 0.023 0.000 0.899 319 D CB -0.360 40.423 40.800 -0.030 0.000 0.902 319 D HN 0.761 nan 8.370 nan 0.000 0.530 320 G N -0.139 108.713 108.800 0.086 0.000 2.163 320 G HA2 -0.213 3.764 3.960 0.028 0.000 0.213 320 G HA3 -0.213 3.764 3.960 0.028 0.000 0.213 320 G C 0.231 175.148 174.900 0.029 0.000 0.991 320 G CA 0.172 45.294 45.100 0.037 0.000 0.653 320 G HN 0.417 nan 8.290 nan 0.000 0.518 321 T N 1.332 115.925 114.554 0.065 0.000 2.817 321 T HA 0.528 4.895 4.350 0.028 0.000 0.293 321 T C 0.264 175.027 174.700 0.105 0.000 0.964 321 T CA -0.210 61.922 62.100 0.054 0.000 1.085 321 T CB 1.958 70.849 68.868 0.037 0.000 0.921 321 T HN 0.531 nan 8.240 nan 0.000 0.502 322 L N 4.607 125.871 121.223 0.069 0.000 2.367 322 L HA 0.370 4.726 4.340 0.028 0.000 0.275 322 L C 0.740 177.668 176.870 0.097 0.000 1.129 322 L CA 0.310 55.209 54.840 0.099 0.000 0.839 322 L CB 0.147 42.232 42.059 0.044 0.000 1.133 322 L HN 0.701 nan 8.230 nan 0.000 0.453 323 I N 2.670 123.309 120.570 0.115 0.000 2.512 323 I HA 0.129 4.316 4.170 0.028 0.000 0.247 323 I C 0.253 176.397 176.117 0.045 0.000 1.094 323 I CA 0.462 61.807 61.300 0.074 0.000 1.427 323 I CB 0.077 38.121 38.000 0.073 0.000 1.149 323 I HN 0.792 nan 8.210 nan 0.000 0.438 324 E N 0.208 120.436 120.200 0.045 0.000 2.409 324 E HA 0.708 5.074 4.350 0.028 0.000 0.280 324 E C -1.549 175.075 176.600 0.040 0.000 1.079 324 E CA -1.094 55.323 56.400 0.027 0.000 0.840 324 E CB 1.639 31.315 29.700 -0.039 0.000 1.309 324 E HN -0.003 nan 8.360 nan 0.000 0.447 325 A N 1.190 124.056 122.820 0.077 0.000 2.414 325 A HA 0.731 5.067 4.320 0.028 0.000 0.306 325 A C -1.001 176.705 177.584 0.202 0.000 1.054 325 A CA -0.697 51.397 52.037 0.095 0.000 0.724 325 A CB 1.700 20.756 19.000 0.093 0.000 1.267 325 A HN 0.508 nan 8.150 nan 0.000 0.418 326 E N -0.394 119.859 120.200 0.087 0.000 2.393 326 E HA 0.883 5.250 4.350 0.028 0.000 0.265 326 E C -0.438 176.205 176.600 0.072 0.000 0.941 326 E CA -0.322 56.176 56.400 0.162 0.000 0.801 326 E CB 2.330 31.980 29.700 -0.083 0.000 1.313 326 E HN 1.392 nan 8.360 nan 0.000 0.435 327 A N -0.383 122.568 122.820 0.218 0.000 2.490 327 A HA 0.667 5.004 4.320 0.028 0.000 0.292 327 A C -1.342 176.437 177.584 0.325 0.000 1.047 327 A CA -0.239 51.867 52.037 0.115 0.000 0.632 327 A CB 0.413 19.429 19.000 0.027 0.000 1.323 327 A HN 0.954 nan 8.150 nan 0.000 0.448 328 C N -0.800 118.647 119.300 0.245 0.000 3.312 328 C HA 0.782 5.258 4.460 0.028 0.000 0.332 328 C C -1.456 173.636 174.990 0.171 0.000 1.340 328 C CA -0.931 58.234 59.018 0.245 0.000 1.265 328 C CB 0.982 28.887 27.740 0.275 0.000 1.563 328 C HN 0.842 nan 8.230 nan 0.000 0.471 329 D N 1.192 121.680 120.400 0.146 0.000 2.350 329 D HA 0.515 5.172 4.640 0.028 0.000 0.249 329 D C -0.283 176.082 176.300 0.108 0.000 1.119 329 D CA 0.230 54.315 54.000 0.142 0.000 0.886 329 D CB 1.718 42.605 40.800 0.145 0.000 1.195 329 D HN 0.558 nan 8.370 nan 0.000 0.437 330 V N 1.509 121.517 119.914 0.157 0.000 2.448 330 V HA 0.643 4.780 4.120 0.028 0.000 0.295 330 V C 0.651 176.840 176.094 0.158 0.000 1.025 330 V CA -0.876 61.470 62.300 0.077 0.000 0.859 330 V CB 1.949 33.795 31.823 0.038 0.000 0.988 330 V HN 0.592 nan 8.190 nan 0.000 0.431 331 G N 3.306 112.089 108.800 -0.028 0.000 2.437 331 G HA2 0.599 4.576 3.960 0.028 0.000 0.315 331 G HA3 0.599 4.576 3.960 0.028 0.000 0.315 331 G C -0.922 174.073 174.900 0.158 0.000 1.210 331 G CA -0.396 44.765 45.100 0.101 0.000 0.943 331 G HN 0.434 nan 8.290 nan 0.000 0.471 332 F N 3.799 123.935 119.950 0.310 0.000 2.462 332 F HA 0.411 4.954 4.527 0.027 0.000 0.360 332 F C 1.203 177.278 175.800 0.458 0.000 1.134 332 F CA 0.018 58.260 58.000 0.403 0.000 1.148 332 F CB 0.603 39.840 39.000 0.393 0.000 1.147 332 F HN 0.466 nan 8.300 nan 0.000 0.550 333 R N 3.110 123.944 120.500 0.555 0.000 2.634 333 R HA 0.361 4.718 4.340 0.028 0.000 0.263 333 R C -1.921 174.549 176.300 0.284 0.000 1.060 333 R CA -0.792 55.455 56.100 0.245 0.000 0.898 333 R CB 1.587 32.061 30.300 0.289 0.000 1.253 333 R HN 0.591 nan 8.270 nan 0.000 0.461 334 E N 2.493 122.763 120.200 0.117 0.000 2.183 334 E HA 0.473 4.839 4.350 0.028 0.000 0.271 334 E C -1.214 175.457 176.600 0.119 0.000 0.919 334 E CA -0.935 55.605 56.400 0.233 0.000 0.781 334 E CB 2.191 32.097 29.700 0.344 0.000 1.140 334 E HN 0.407 nan 8.360 nan 0.000 0.402 335 V N 5.207 125.185 119.914 0.106 0.000 2.448 335 V HA 0.585 4.722 4.120 0.028 0.000 0.295 335 V C -0.188 175.946 176.094 0.066 0.000 1.025 335 V CA -0.654 61.679 62.300 0.055 0.000 0.859 335 V CB 1.305 33.138 31.823 0.016 0.000 0.988 335 V HN 0.738 nan 8.190 nan 0.000 0.431 336 R N 4.307 124.842 120.500 0.058 0.000 2.663 336 R HA 0.714 5.070 4.340 0.028 0.000 0.267 336 R C -2.215 174.112 176.300 0.045 0.000 1.038 336 R CA -0.873 55.264 56.100 0.062 0.000 0.886 336 R CB 1.879 32.231 30.300 0.087 0.000 1.249 336 R HN 0.547 nan 8.270 nan 0.000 0.463 337 I N 1.434 122.031 120.570 0.045 0.000 2.377 337 I HA 0.390 4.577 4.170 0.028 0.000 0.293 337 I C -0.620 175.520 176.117 0.038 0.000 0.987 337 I CA -0.470 60.850 61.300 0.034 0.000 1.185 337 I CB 1.952 39.974 38.000 0.036 0.000 1.341 337 I HN 0.717 nan 8.210 nan 0.000 0.455 338 E N 5.328 125.546 120.200 0.030 0.000 2.304 338 E HA 0.240 4.607 4.350 0.028 0.000 0.277 338 E C -0.315 176.298 176.600 0.023 0.000 0.898 338 E CA -0.552 55.867 56.400 0.033 0.000 0.764 338 E CB 1.107 30.832 29.700 0.042 0.000 1.216 338 E HN 0.543 nan 8.360 nan 0.000 0.419 339 N N 2.894 121.608 118.700 0.023 0.000 2.693 339 N HA -0.251 4.506 4.740 0.028 0.000 0.249 339 N C 0.440 175.956 175.510 0.011 0.000 1.119 339 N CA 2.301 55.361 53.050 0.017 0.000 0.717 339 N CB -1.107 37.389 38.487 0.015 0.000 1.071 339 N HN 0.969 nan 8.380 nan 0.000 0.555 340 G N -2.645 106.162 108.800 0.011 0.000 2.176 340 G HA2 -0.247 3.730 3.960 0.028 0.000 0.232 340 G HA3 -0.247 3.730 3.960 0.028 0.000 0.232 340 G C -0.138 174.757 174.900 -0.008 0.000 0.986 340 G CA 0.328 45.430 45.100 0.004 0.000 0.643 340 G HN 0.438 nan 8.290 nan 0.000 0.522 341 L N 0.175 121.394 121.223 -0.007 0.000 2.354 341 L HA 0.754 5.110 4.340 0.028 0.000 0.269 341 L C -0.053 176.807 176.870 -0.017 0.000 1.005 341 L CA -1.346 53.482 54.840 -0.020 0.000 0.819 341 L CB 1.922 43.968 42.059 -0.021 0.000 1.311 341 L HN 0.078 nan 8.230 nan 0.000 0.423 342 L N 3.771 124.972 121.223 -0.036 0.000 2.278 342 L HA 0.463 4.820 4.340 0.028 0.000 0.287 342 L C -0.812 176.033 176.870 -0.041 0.000 1.072 342 L CA 0.368 55.187 54.840 -0.036 0.000 0.819 342 L CB 0.363 42.388 42.059 -0.057 0.000 1.176 342 L HN 0.384 nan 8.230 nan 0.000 0.435 343 L N 5.806 127.019 121.223 -0.016 0.000 2.334 343 L HA 0.569 4.925 4.340 0.028 0.000 0.273 343 L C -0.874 175.994 176.870 -0.003 0.000 1.013 343 L CA -0.868 53.969 54.840 -0.005 0.000 0.816 343 L CB 1.982 44.060 42.059 0.032 0.000 1.278 343 L HN 0.541 nan 8.230 nan 0.000 0.431 344 L N 3.397 124.628 121.223 0.014 0.000 2.372 344 L HA 0.485 4.842 4.340 0.028 0.000 0.274 344 L C -0.366 176.500 176.870 -0.006 0.000 0.988 344 L CA -0.072 54.780 54.840 0.021 0.000 0.833 344 L CB 0.967 43.036 42.059 0.016 0.000 1.236 344 L HN 0.600 nan 8.230 nan 0.000 0.410 345 N N 4.151 122.682 118.700 -0.282 0.000 2.727 345 N HA -0.215 4.541 4.740 0.028 0.000 0.249 345 N C 0.940 175.967 175.510 -0.804 0.000 1.048 345 N CA 1.339 53.811 53.050 -0.963 0.000 0.714 345 N CB -1.224 36.661 38.487 -1.004 0.000 0.959 345 N HN 1.191 nan 8.380 nan 0.000 0.544 346 G N -1.961 106.707 108.800 -0.220 0.000 2.234 346 G HA2 -0.362 3.614 3.960 0.028 0.000 0.260 346 G HA3 -0.362 3.614 3.960 0.028 0.000 0.260 346 G C -0.014 174.904 174.900 0.029 0.000 0.987 346 G CA 0.976 46.097 45.100 0.036 0.000 0.625 346 G HN 0.429 nan 8.290 nan 0.000 0.532 347 K N 1.022 121.438 120.400 0.028 0.000 2.164 347 K HA 0.529 4.866 4.320 0.028 0.000 0.258 347 K C -2.809 173.763 176.600 -0.048 0.000 0.951 347 K CA -2.258 54.010 56.287 -0.033 0.000 0.844 347 K CB 2.248 34.644 32.500 -0.173 0.000 1.099 347 K HN 0.064 nan 8.250 nan 0.000 0.435 348 P HA 0.154 nan 4.420 nan 0.000 0.271 348 P C -0.073 177.164 177.300 -0.105 0.000 1.233 348 P CA -0.157 62.897 63.100 -0.078 0.000 0.764 348 P CB 0.388 32.045 31.700 -0.072 0.000 0.825 349 L N 3.484 124.642 121.223 -0.108 0.000 2.452 349 L HA 0.186 4.543 4.340 0.028 0.000 0.267 349 L C 0.724 177.516 176.870 -0.131 0.000 1.188 349 L CA -0.409 54.355 54.840 -0.126 0.000 0.821 349 L CB 0.221 42.167 42.059 -0.189 0.000 1.102 349 L HN 0.274 nan 8.230 nan 0.000 0.470 350 L N 4.638 125.803 121.223 -0.097 0.000 2.366 350 L HA 0.400 4.757 4.340 0.028 0.000 0.266 350 L C -0.383 176.442 176.870 -0.075 0.000 1.010 350 L CA -0.272 54.495 54.840 -0.120 0.000 0.879 350 L CB 0.720 42.733 42.059 -0.078 0.000 1.228 350 L HN 0.257 nan 8.230 nan 0.000 0.439 351 I N 4.753 125.210 120.570 -0.189 0.000 2.421 351 I HA 0.161 4.348 4.170 0.028 0.000 0.291 351 I C 0.632 176.726 176.117 -0.038 0.000 1.089 351 I CA 0.229 61.442 61.300 -0.145 0.000 1.354 351 I CB 0.247 38.042 38.000 -0.343 0.000 1.413 351 I HN 0.528 nan 8.210 nan 0.000 0.513 352 R N 4.830 125.402 120.500 0.119 0.000 3.070 352 R HA 0.415 4.772 4.340 0.028 0.000 0.252 352 R C 0.536 176.981 176.300 0.243 0.000 1.370 352 R CA -0.275 55.952 56.100 0.213 0.000 1.482 352 R CB 0.835 31.086 30.300 -0.082 0.000 1.220 352 R HN 0.772 nan 8.270 nan 0.000 0.622 353 G N 0.203 109.086 108.800 0.138 0.000 2.491 353 G HA2 0.552 4.529 3.960 0.028 0.000 0.327 353 G HA3 0.552 4.529 3.960 0.028 0.000 0.327 353 G C -1.218 173.965 174.900 0.471 0.000 1.189 353 G CA -0.416 44.754 45.100 0.117 0.000 0.956 353 G HN 0.237 nan 8.290 nan 0.000 0.491 354 V N 0.191 120.373 119.914 0.447 0.000 3.012 354 V HA 0.446 4.583 4.120 0.028 0.000 0.307 354 V C -1.087 175.143 176.094 0.227 0.000 1.166 354 V CA -1.236 61.213 62.300 0.249 0.000 0.974 354 V CB 2.203 33.891 31.823 -0.227 0.000 1.040 354 V HN 0.760 nan 8.190 nan 0.000 0.428 355 N N 4.448 123.205 118.700 0.095 0.000 2.514 355 N HA 0.408 5.165 4.740 0.028 0.000 0.277 355 N C -0.634 174.680 175.510 -0.326 0.000 1.126 355 N CA -0.180 52.781 53.050 -0.149 0.000 0.978 355 N CB 1.270 39.605 38.487 -0.253 0.000 1.106 355 N HN 0.637 nan 8.380 nan 0.000 0.461 356 R N 2.307 122.580 120.500 -0.377 0.000 2.539 356 R HA 0.177 4.534 4.340 0.028 0.000 0.295 356 R C -1.019 175.051 176.300 -0.382 0.000 1.138 356 R CA -0.540 55.362 56.100 -0.330 0.000 0.936 356 R CB 0.608 30.708 30.300 -0.335 0.000 1.182 356 R HN 0.594 nan 8.270 nan 0.000 0.459 357 H N 2.063 120.983 119.070 -0.249 0.000 2.547 357 H HA 0.123 4.696 4.556 0.028 0.000 0.362 357 H C -0.456 174.875 175.328 0.005 0.000 1.181 357 H CA 0.223 56.222 56.048 -0.083 0.000 1.376 357 H CB 1.323 31.105 29.762 0.034 0.000 1.488 357 H HN 0.554 nan 8.280 nan 0.000 0.583 358 E N 1.803 122.202 120.200 0.332 0.000 1.996 358 E HA 0.118 4.485 4.350 0.028 0.000 0.280 358 E C -0.726 176.032 176.600 0.263 0.000 1.092 358 E CA -0.023 56.497 56.400 0.200 0.000 0.862 358 E CB 0.368 30.199 29.700 0.218 0.000 1.066 358 E HN 0.387 nan 8.360 nan 0.000 0.396 359 H N 1.684 120.820 119.070 0.109 0.000 2.954 359 H HA 0.247 4.820 4.556 0.028 0.000 0.361 359 H C -1.703 173.684 175.328 0.098 0.000 1.122 359 H CA -0.667 55.440 56.048 0.098 0.000 1.217 359 H CB 1.066 30.876 29.762 0.079 0.000 1.776 359 H HN 0.402 nan 8.280 nan 0.000 0.533 360 H N 6.497 125.173 119.070 -0.658 0.000 2.744 360 H HA 0.212 4.785 4.556 0.028 0.000 0.339 360 H C -2.232 172.708 175.328 -0.647 0.000 1.004 360 H CA -2.446 53.334 56.048 -0.446 0.000 1.257 360 H CB 2.518 32.171 29.762 -0.182 0.000 1.552 360 H HN 0.533 nan 8.280 nan 0.000 0.522 361 P HA -0.149 nan 4.420 nan 0.000 0.217 361 P C 1.253 178.463 177.300 -0.151 0.000 1.148 361 P CA 1.068 64.042 63.100 -0.211 0.000 0.834 361 P CB 0.758 32.365 31.700 -0.154 0.000 0.783 362 L N -2.012 119.210 121.223 -0.001 0.000 2.269 362 L HA 0.079 4.436 4.340 0.028 0.000 0.200 362 L C 2.397 179.069 176.870 -0.331 0.000 1.069 362 L CA 0.758 55.468 54.840 -0.216 0.000 0.804 362 L CB -0.852 40.961 42.059 -0.412 0.000 0.987 362 L HN -0.008 nan 8.230 nan 0.000 0.468 363 H N -0.364 118.628 119.070 -0.131 0.000 2.539 363 H HA 0.194 4.766 4.556 0.028 0.000 0.267 363 H C 1.556 176.771 175.328 -0.189 0.000 0.982 363 H CA 0.169 56.067 56.048 -0.250 0.000 1.146 363 H CB 0.270 29.765 29.762 -0.445 0.000 1.382 363 H HN 0.423 nan 8.280 nan 0.000 0.577 364 G N 1.536 110.245 108.800 -0.153 0.000 2.601 364 G HA2 -0.439 3.538 3.960 0.028 0.000 0.306 364 G HA3 -0.439 3.538 3.960 0.028 0.000 0.306 364 G C 0.837 175.654 174.900 -0.138 0.000 1.172 364 G CA 0.673 45.635 45.100 -0.231 0.000 0.966 364 G HN 0.483 nan 8.290 nan 0.000 0.542 365 Q N 0.022 119.777 119.800 -0.075 0.000 2.247 365 Q HA 0.454 4.810 4.340 0.028 0.000 0.204 365 Q C 0.381 176.494 176.000 0.189 0.000 0.872 365 Q CA -0.074 55.738 55.803 0.015 0.000 0.951 365 Q CB 1.160 29.804 28.738 -0.156 0.000 1.099 365 Q HN 0.387 nan 8.270 nan 0.000 0.501 366 V N 2.061 122.054 119.914 0.133 0.000 2.470 366 V HA 0.114 4.251 4.120 0.028 0.000 0.276 366 V C 0.072 176.224 176.094 0.097 0.000 1.040 366 V CA 0.108 62.480 62.300 0.120 0.000 1.008 366 V CB 0.653 32.477 31.823 0.001 0.000 0.990 366 V HN 0.298 nan 8.190 nan 0.000 0.477 367 M N 5.790 125.454 119.600 0.106 0.000 2.336 367 M HA 0.462 4.959 4.480 0.028 0.000 0.342 367 M C -0.226 176.062 176.300 -0.020 0.000 1.128 367 M CA -1.015 54.316 55.300 0.051 0.000 1.016 367 M CB 1.514 34.108 32.600 -0.011 0.000 1.665 367 M HN 0.848 nan 8.290 nan 0.000 0.445 368 D N 0.963 121.368 120.400 0.008 0.000 2.414 368 D HA 0.225 4.881 4.640 0.028 0.000 0.241 368 D C 0.116 176.418 176.300 0.004 0.000 1.008 368 D CA -0.444 53.554 54.000 -0.003 0.000 1.001 368 D CB 1.575 42.394 40.800 0.032 0.000 1.277 368 D HN 0.702 nan 8.370 nan 0.000 0.538 369 E N -0.387 119.826 120.200 0.021 0.000 2.106 369 E HA -0.237 4.130 4.350 0.028 0.000 0.192 369 E C 1.851 178.506 176.600 0.090 0.000 0.984 369 E CA 0.881 57.314 56.400 0.055 0.000 0.806 369 E CB 0.147 29.892 29.700 0.074 0.000 0.750 369 E HN 0.508 nan 8.360 nan 0.000 0.458 370 Q N 0.153 120.008 119.800 0.092 0.000 2.030 370 Q HA -0.174 4.183 4.340 0.028 0.000 0.204 370 Q C 1.972 178.041 176.000 0.115 0.000 0.986 370 Q CA 2.312 58.177 55.803 0.103 0.000 0.843 370 Q CB -0.210 28.590 28.738 0.105 0.000 0.904 370 Q HN 0.277 nan 8.270 nan 0.000 0.420 371 T N 1.413 116.048 114.554 0.134 0.000 2.720 371 T HA -0.166 4.200 4.350 0.028 0.000 0.268 371 T C 1.940 176.730 174.700 0.151 0.000 1.037 371 T CA 1.808 63.996 62.100 0.148 0.000 1.144 371 T CB -0.198 68.786 68.868 0.194 0.000 0.864 371 T HN 0.319 nan 8.240 nan 0.000 0.444 372 M N 0.421 120.118 119.600 0.161 0.000 2.086 372 M HA -0.093 4.403 4.480 0.028 0.000 0.261 372 M C 2.509 178.944 176.300 0.226 0.000 1.067 372 M CA 1.324 56.794 55.300 0.283 0.000 1.116 372 M CB -0.644 32.150 32.600 0.322 0.000 1.348 372 M HN 0.093 nan 8.290 nan 0.000 0.407 373 V N 0.323 120.309 119.914 0.120 0.000 2.295 373 V HA -0.320 3.816 4.120 0.028 0.000 0.246 373 V C 2.343 178.423 176.094 -0.023 0.000 1.049 373 V CA 2.195 64.501 62.300 0.011 0.000 1.024 373 V CB -0.884 30.983 31.823 0.073 0.000 0.648 373 V HN 0.559 nan 8.190 nan 0.000 0.447 374 Q N -0.284 119.552 119.800 0.061 0.000 2.045 374 Q HA -0.295 4.061 4.340 0.028 0.000 0.206 374 Q C 2.028 178.099 176.000 0.118 0.000 0.991 374 Q CA 2.389 58.242 55.803 0.083 0.000 0.851 374 Q CB -0.204 28.599 28.738 0.108 0.000 0.911 374 Q HN 0.627 nan 8.270 nan 0.000 0.418 375 D N 0.226 120.725 120.400 0.165 0.000 2.104 375 D HA -0.168 4.488 4.640 0.028 0.000 0.194 375 D C 1.930 178.202 176.300 -0.046 0.000 0.994 375 D CA 1.286 55.400 54.000 0.190 0.000 0.830 375 D CB -0.250 40.663 40.800 0.188 0.000 0.959 375 D HN 0.366 nan 8.370 nan 0.000 0.452 376 I N 0.493 121.025 120.570 -0.063 0.000 2.226 376 I HA -0.245 3.941 4.170 0.028 0.000 0.245 376 I C 2.421 178.389 176.117 -0.248 0.000 1.100 376 I CA 0.671 61.821 61.300 -0.251 0.000 1.374 376 I CB -0.124 37.623 38.000 -0.421 0.000 1.057 376 I HN -0.003 nan 8.210 nan 0.000 0.413 377 L N -0.009 121.099 121.223 -0.190 0.000 2.083 377 L HA -0.219 4.138 4.340 0.028 0.000 0.209 377 L C 2.491 179.406 176.870 0.075 0.000 1.083 377 L CA 1.248 56.051 54.840 -0.062 0.000 0.752 377 L CB -0.429 41.617 42.059 -0.022 0.000 0.899 377 L HN 0.275 nan 8.230 nan 0.000 0.433 378 L N -1.166 120.132 121.223 0.124 0.000 2.093 378 L HA -0.206 4.151 4.340 0.028 0.000 0.208 378 L C 2.646 179.680 176.870 0.272 0.000 1.085 378 L CA 1.166 56.171 54.840 0.274 0.000 0.755 378 L CB -0.283 42.072 42.059 0.493 0.000 0.904 378 L HN 0.290 nan 8.230 nan 0.000 0.435 379 M N -0.511 119.068 119.600 -0.035 0.000 2.065 379 M HA -0.255 4.242 4.480 0.028 0.000 0.259 379 M C 2.297 178.681 176.300 0.141 0.000 1.069 379 M CA 1.884 57.081 55.300 -0.173 0.000 1.110 379 M CB -0.363 31.883 32.600 -0.591 0.000 1.328 379 M HN 0.085 nan 8.290 nan 0.000 0.405 380 K N 0.053 120.428 120.400 -0.041 0.000 2.097 380 K HA -0.197 4.139 4.320 0.028 0.000 0.206 380 K C 1.946 178.531 176.600 -0.025 0.000 1.049 380 K CA 1.430 57.588 56.287 -0.215 0.000 0.933 380 K CB -0.200 31.958 32.500 -0.569 0.000 0.717 380 K HN 0.465 nan 8.250 nan 0.000 0.442 381 Q N 0.213 120.164 119.800 0.253 0.000 2.291 381 Q HA -0.038 4.318 4.340 0.028 0.000 0.205 381 Q C 0.767 177.063 176.000 0.492 0.000 0.970 381 Q CA 0.720 56.778 55.803 0.425 0.000 0.876 381 Q CB 0.140 29.094 28.738 0.360 0.000 0.935 381 Q HN 0.264 nan 8.270 nan 0.000 0.455 382 N N 0.837 119.782 118.700 0.408 0.000 2.321 382 N HA 0.059 4.816 4.740 0.028 0.000 0.242 382 N C -0.690 174.899 175.510 0.132 0.000 1.141 382 N CA 0.011 53.286 53.050 0.375 0.000 0.864 382 N CB 0.640 39.443 38.487 0.527 0.000 1.100 382 N HN 0.163 nan 8.380 nan 0.000 0.510 383 N N 0.252 119.048 118.700 0.159 0.000 2.747 383 N HA -0.192 4.564 4.740 0.028 0.000 0.249 383 N C -0.902 174.499 175.510 -0.181 0.000 1.107 383 N CA 0.863 53.958 53.050 0.076 0.000 0.707 383 N CB -1.767 36.710 38.487 -0.017 0.000 1.054 383 N HN 0.273 nan 8.380 nan 0.000 0.555 384 F N 0.953 120.922 119.950 0.032 0.000 2.379 384 F HA 0.327 4.871 4.527 0.027 0.000 0.332 384 F C 1.726 177.516 175.800 -0.017 0.000 1.096 384 F CA -0.667 57.332 58.000 -0.002 0.000 1.105 384 F CB 0.907 39.869 39.000 -0.064 0.000 1.189 384 F HN 0.034 nan 8.300 nan 0.000 0.515 385 N N 0.681 119.495 118.700 0.190 0.000 2.143 385 N HA 0.437 5.194 4.740 0.028 0.000 0.222 385 N C -0.845 174.688 175.510 0.038 0.000 1.264 385 N CA -0.035 53.038 53.050 0.038 0.000 0.897 385 N CB 0.785 39.331 38.487 0.098 0.000 1.092 385 N HN 0.470 nan 8.380 nan 0.000 0.516 386 A N -0.476 122.462 122.820 0.197 0.000 2.594 386 A HA 0.747 5.083 4.320 0.028 0.000 0.295 386 A C -1.776 176.036 177.584 0.381 0.000 1.071 386 A CA -0.720 51.504 52.037 0.311 0.000 0.685 386 A CB 1.849 21.079 19.000 0.384 0.000 1.285 386 A HN 0.203 nan 8.150 nan 0.000 0.405 387 V N 1.404 121.584 119.914 0.442 0.000 2.841 387 V HA 0.791 4.928 4.120 0.028 0.000 0.310 387 V C -0.544 175.663 176.094 0.188 0.000 1.090 387 V CA -0.711 61.792 62.300 0.340 0.000 0.930 387 V CB 1.827 33.785 31.823 0.224 0.000 1.014 387 V HN 1.125 nan 8.190 nan 0.000 0.425 388 R N 5.051 125.503 120.500 -0.080 0.000 2.393 388 R HA 0.467 4.823 4.340 0.028 0.000 0.310 388 R C -0.707 175.438 176.300 -0.259 0.000 0.968 388 R CA -0.477 55.380 56.100 -0.405 0.000 0.867 388 R CB 1.153 30.948 30.300 -0.842 0.000 1.124 388 R HN 0.795 nan 8.270 nan 0.000 0.450 389 C N 4.417 123.601 119.300 -0.193 0.000 3.183 389 C HA 0.106 4.583 4.460 0.028 0.000 0.545 389 C C 0.568 175.271 174.990 -0.480 0.000 1.044 389 C CA -0.411 58.445 59.018 -0.270 0.000 1.117 389 C CB -2.090 25.614 27.740 -0.060 0.000 1.393 389 C HN 0.723 nan 8.230 nan 0.000 0.611 390 S N 1.446 116.744 115.700 -0.671 0.000 2.481 390 S HA 0.147 4.634 4.470 0.028 0.000 0.282 390 S C -0.161 173.504 174.600 -1.559 0.000 1.243 390 S CA 0.254 57.777 58.200 -1.128 0.000 1.078 390 S CB 0.044 62.582 63.200 -1.103 0.000 0.916 390 S HN 0.723 nan 8.310 nan 0.000 0.495 391 H N 3.876 122.369 119.070 -0.962 0.000 2.439 391 H HA 0.337 4.909 4.556 0.027 0.000 0.228 391 H C -1.130 174.078 175.328 -0.200 0.000 1.423 391 H CA -0.358 55.495 56.048 -0.325 0.000 1.386 391 H CB -0.105 29.657 29.762 -0.001 0.000 1.641 391 H HN 0.894 nan 8.280 nan 0.000 0.508 392 Y N -2.421 117.974 120.300 0.159 0.000 2.810 392 Y HA 0.379 4.946 4.550 0.028 0.000 0.355 392 Y C -3.341 172.669 175.900 0.182 0.000 1.211 392 Y CA -2.868 55.341 58.100 0.182 0.000 1.112 392 Y CB 0.023 38.596 38.460 0.190 0.000 1.383 392 Y HN -0.053 nan 8.280 nan 0.000 0.458 393 P HA 0.213 nan 4.420 nan 0.000 0.275 393 P C -0.622 176.976 177.300 0.498 0.000 1.227 393 P CA -0.010 63.346 63.100 0.428 0.000 0.781 393 P CB 0.648 32.530 31.700 0.303 0.000 0.906 394 N N 0.628 119.650 118.700 0.537 0.000 2.413 394 N HA 0.071 4.828 4.740 0.028 0.000 0.266 394 N C 0.145 175.935 175.510 0.468 0.000 1.238 394 N CA -0.504 52.779 53.050 0.387 0.000 0.972 394 N CB 0.319 38.826 38.487 0.033 0.000 1.210 394 N HN 0.596 nan 8.380 nan 0.000 0.547 395 H N 2.090 121.290 119.070 0.216 0.000 2.964 395 H HA 0.025 4.598 4.556 0.027 0.000 0.328 395 H C -1.712 173.803 175.328 0.312 0.000 1.030 395 H CA -1.096 55.065 56.048 0.187 0.000 1.445 395 H CB 0.962 30.790 29.762 0.111 0.000 1.449 395 H HN 0.403 nan 8.280 nan 0.000 0.581 396 P HA -0.223 nan 4.420 nan 0.000 0.217 396 P C 1.772 179.406 177.300 0.557 0.000 1.148 396 P CA 0.777 64.167 63.100 0.483 0.000 0.834 396 P CB 0.210 32.028 31.700 0.198 0.000 0.783 397 L N -1.288 120.330 121.223 0.659 0.000 2.201 397 L HA -0.021 4.336 4.340 0.028 0.000 0.212 397 L C 2.299 179.320 176.870 0.252 0.000 1.105 397 L CA 1.254 56.322 54.840 0.380 0.000 0.775 397 L CB -1.447 40.789 42.059 0.294 0.000 0.913 397 L HN 0.037 nan 8.230 nan 0.000 0.440 398 W N -0.389 120.930 121.300 0.032 0.000 2.321 398 W HA -0.358 4.318 4.660 0.027 0.000 0.306 398 W C 2.038 178.395 176.519 -0.271 0.000 1.217 398 W CA 2.062 59.291 57.345 -0.194 0.000 1.257 398 W CB -0.337 28.893 29.460 -0.382 0.000 1.145 398 W HN 0.281 nan 8.180 nan 0.000 0.509 399 Y N 0.321 120.557 120.300 -0.107 0.000 2.200 399 Y HA -0.192 4.375 4.550 0.027 0.000 0.290 399 Y C 2.904 178.567 175.900 -0.395 0.000 1.137 399 Y CA 2.026 59.856 58.100 -0.450 0.000 1.163 399 Y CB -1.394 36.477 38.460 -0.982 0.000 0.988 399 Y HN -0.233 nan 8.280 nan 0.000 0.518 400 T N 0.723 115.261 114.554 -0.026 0.000 2.684 400 T HA -0.167 4.199 4.350 0.028 0.000 0.267 400 T C 2.000 176.717 174.700 0.029 0.000 1.036 400 T CA 1.481 63.650 62.100 0.115 0.000 1.148 400 T CB -0.560 68.447 68.868 0.232 0.000 0.863 400 T HN 0.207 nan 8.240 nan 0.000 0.436 401 L N 0.294 121.494 121.223 -0.038 0.000 2.017 401 L HA -0.130 4.227 4.340 0.028 0.000 0.208 401 L C 2.947 179.770 176.870 -0.079 0.000 1.073 401 L CA 1.083 55.908 54.840 -0.024 0.000 0.745 401 L CB -0.776 41.246 42.059 -0.062 0.000 0.894 401 L HN 0.388 nan 8.230 nan 0.000 0.432 402 C N -0.180 118.919 119.300 -0.336 0.000 2.413 402 C HA -0.166 4.311 4.460 0.028 0.000 0.277 402 C C 2.425 177.449 174.990 0.057 0.000 1.265 402 C CA 0.475 59.334 59.018 -0.265 0.000 1.752 402 C CB -0.877 26.606 27.740 -0.427 0.000 1.998 402 C HN 0.549 nan 8.230 nan 0.000 0.489 403 D N 0.528 120.973 120.400 0.075 0.000 2.087 403 D HA -0.120 4.537 4.640 0.028 0.000 0.192 403 D C 2.386 178.902 176.300 0.359 0.000 0.993 403 D CA 1.331 55.463 54.000 0.219 0.000 0.828 403 D CB -0.392 40.492 40.800 0.140 0.000 0.968 403 D HN 0.515 nan 8.370 nan 0.000 0.448 404 R N -0.930 119.654 120.500 0.139 0.000 2.090 404 R HA -0.045 4.312 4.340 0.028 0.000 0.228 404 R C 2.317 178.561 176.300 -0.092 0.000 1.110 404 R CA 0.756 56.863 56.100 0.012 0.000 0.973 404 R CB -0.268 29.958 30.300 -0.123 0.000 0.869 404 R HN 0.324 nan 8.270 nan 0.000 0.440 405 Y N -0.200 120.111 120.300 0.019 0.000 2.420 405 Y HA 0.144 4.711 4.550 0.027 0.000 0.292 405 Y C 1.026 176.850 175.900 -0.127 0.000 1.119 405 Y CA 0.655 58.733 58.100 -0.036 0.000 1.229 405 Y CB 0.666 39.073 38.460 -0.089 0.000 1.026 405 Y HN 0.250 nan 8.280 nan 0.000 0.554 406 G N 1.297 110.116 108.800 0.032 0.000 2.894 406 G HA2 -0.162 3.815 3.960 0.028 0.000 0.263 406 G HA3 -0.162 3.815 3.960 0.028 0.000 0.263 406 G C -1.136 173.596 174.900 -0.279 0.000 1.013 406 G CA -0.525 44.455 45.100 -0.200 0.000 1.226 406 G HN 0.169 nan 8.290 nan 0.000 0.563 407 L N 0.828 121.971 121.223 -0.133 0.000 2.455 407 L HA 0.486 4.843 4.340 0.028 0.000 0.264 407 L C -0.039 176.843 176.870 0.020 0.000 0.968 407 L CA -1.292 53.428 54.840 -0.201 0.000 0.827 407 L CB 2.054 44.021 42.059 -0.153 0.000 1.317 407 L HN 0.441 nan 8.230 nan 0.000 0.407 408 Y N 1.866 122.300 120.300 0.223 0.000 2.377 408 Y HA 0.381 4.949 4.550 0.031 0.000 0.330 408 Y C 0.220 176.253 175.900 0.222 0.000 1.108 408 Y CA -0.697 57.572 58.100 0.283 0.000 1.308 408 Y CB 1.320 39.922 38.460 0.238 0.000 1.216 408 Y HN 0.158 nan 8.280 nan 0.000 0.518 409 V N 4.221 124.328 119.914 0.321 0.000 2.680 409 V HA 0.354 4.491 4.120 0.028 0.000 0.309 409 V C -0.594 175.584 176.094 0.140 0.000 1.052 409 V CA -1.014 61.414 62.300 0.214 0.000 0.908 409 V CB 2.058 33.973 31.823 0.154 0.000 1.001 409 V HN 0.442 nan 8.190 nan 0.000 0.431 410 V N 2.876 122.839 119.914 0.081 0.000 2.328 410 V HA 0.344 4.481 4.120 0.028 0.000 0.278 410 V C -0.461 175.670 176.094 0.062 0.000 1.021 410 V CA -0.392 61.912 62.300 0.006 0.000 0.838 410 V CB 1.470 33.192 31.823 -0.169 0.000 0.999 410 V HN 0.893 nan 8.190 nan 0.000 0.447 411 D N 4.111 124.593 120.400 0.137 0.000 2.249 411 D HA 0.358 5.015 4.640 0.028 0.000 0.246 411 D C -0.265 176.230 176.300 0.325 0.000 1.114 411 D CA -0.063 54.112 54.000 0.292 0.000 0.854 411 D CB 1.328 42.354 40.800 0.376 0.000 1.132 411 D HN 0.686 nan 8.370 nan 0.000 0.461 412 E N 1.964 122.317 120.200 0.254 0.000 2.234 412 E HA 0.620 4.987 4.350 0.028 0.000 0.266 412 E C -1.022 175.716 176.600 0.229 0.000 0.877 412 E CA -1.082 55.455 56.400 0.228 0.000 0.758 412 E CB 1.352 31.138 29.700 0.143 0.000 1.170 412 E HN 0.461 nan 8.360 nan 0.000 0.415 413 A N 3.888 126.836 122.820 0.213 0.000 2.531 413 A HA -0.007 4.329 4.320 0.028 0.000 0.236 413 A C 0.304 178.016 177.584 0.213 0.000 1.062 413 A CA 0.012 52.154 52.037 0.175 0.000 0.760 413 A CB -0.000 19.066 19.000 0.110 0.000 0.995 413 A HN 0.687 nan 8.150 nan 0.000 0.501 414 N N 1.628 120.463 118.700 0.224 0.000 3.050 414 N HA 0.295 5.052 4.740 0.028 0.000 0.289 414 N C -0.999 174.643 175.510 0.220 0.000 1.209 414 N CA 0.123 53.341 53.050 0.281 0.000 1.154 414 N CB -0.738 37.912 38.487 0.271 0.000 1.444 414 N HN 0.476 nan 8.380 nan 0.000 0.529 415 I N 0.994 121.689 120.570 0.208 0.000 2.503 415 I HA 0.284 4.470 4.170 0.028 0.000 0.282 415 I C -0.567 175.654 176.117 0.173 0.000 1.059 415 I CA -0.618 60.786 61.300 0.172 0.000 1.081 415 I CB 1.616 39.692 38.000 0.126 0.000 1.210 415 I HN 0.268 nan 8.210 nan 0.000 0.450 416 E N 4.447 124.739 120.200 0.153 0.000 2.274 416 E HA 0.389 4.755 4.350 0.028 0.000 0.269 416 E C -0.564 176.077 176.600 0.068 0.000 0.891 416 E CA -0.473 55.983 56.400 0.093 0.000 0.784 416 E CB 1.726 31.456 29.700 0.050 0.000 1.225 416 E HN 0.603 nan 8.360 nan 0.000 0.412 417 T N 0.698 115.278 114.554 0.044 0.000 3.415 417 T HA 0.189 4.556 4.350 0.028 0.000 0.282 417 T C 0.853 175.526 174.700 -0.045 0.000 1.007 417 T CA -0.414 61.722 62.100 0.061 0.000 0.958 417 T CB 0.400 69.313 68.868 0.075 0.000 1.171 417 T HN 0.564 nan 8.240 nan 0.000 0.500 418 E N 1.390 121.491 120.200 -0.164 0.000 2.171 418 E HA -0.119 4.247 4.350 0.028 0.000 0.197 418 E C 2.060 178.520 176.600 -0.234 0.000 0.997 418 E CA 1.483 57.760 56.400 -0.204 0.000 0.810 418 E CB -0.620 28.928 29.700 -0.254 0.000 0.738 418 E HN 0.724 nan 8.360 nan 0.000 0.467 419 G N 0.176 108.728 108.800 -0.414 0.000 2.848 419 G HA2 -0.051 3.926 3.960 0.028 0.000 0.208 419 G HA3 -0.051 3.926 3.960 0.028 0.000 0.208 419 G C 0.634 175.599 174.900 0.108 0.000 1.152 419 G CA -0.196 44.739 45.100 -0.276 0.000 0.789 419 G HN 0.066 nan 8.290 nan 0.000 0.531 420 M N 0.449 120.150 119.600 0.169 0.000 2.226 420 M HA 0.299 4.795 4.480 0.028 0.000 0.324 420 M C -0.350 175.959 176.300 0.014 0.000 1.112 420 M CA -0.266 55.106 55.300 0.121 0.000 1.176 420 M CB 1.385 34.009 32.600 0.040 0.000 1.430 420 M HN -0.216 nan 8.290 nan 0.000 0.462 421 V N 3.928 123.839 119.914 -0.006 0.000 2.443 421 V HA 0.379 4.516 4.120 0.028 0.000 0.293 421 V C -1.941 174.132 176.094 -0.034 0.000 1.021 421 V CA -1.317 60.966 62.300 -0.028 0.000 0.848 421 V CB 1.678 33.484 31.823 -0.029 0.000 0.998 421 V HN 0.729 nan 8.190 nan 0.000 0.424 422 P HA 0.262 nan 4.420 nan 0.000 0.275 422 P C 1.032 178.314 177.300 -0.030 0.000 1.266 422 P CA -0.542 62.537 63.100 -0.034 0.000 0.793 422 P CB 1.056 32.740 31.700 -0.026 0.000 1.074 423 M N 0.725 120.308 119.600 -0.029 0.000 2.144 423 M HA -0.203 4.294 4.480 0.028 0.000 0.260 423 M C 1.149 177.454 176.300 0.009 0.000 1.067 423 M CA 2.093 57.383 55.300 -0.017 0.000 1.095 423 M CB -0.551 32.034 32.600 -0.024 0.000 1.365 423 M HN 0.392 nan 8.290 nan 0.000 0.406 424 N N -0.200 118.513 118.700 0.021 0.000 2.362 424 N HA -0.067 4.689 4.740 0.028 0.000 0.204 424 N C 1.091 176.576 175.510 -0.042 0.000 1.166 424 N CA 0.192 53.260 53.050 0.029 0.000 0.831 424 N CB -0.735 37.787 38.487 0.060 0.000 1.008 424 N HN 0.349 nan 8.380 nan 0.000 0.472 425 R N 0.384 120.841 120.500 -0.071 0.000 2.096 425 R HA -0.032 4.325 4.340 0.028 0.000 0.240 425 R C 1.444 177.629 176.300 -0.192 0.000 1.139 425 R CA 1.482 57.514 56.100 -0.113 0.000 0.952 425 R CB -0.078 30.151 30.300 -0.117 0.000 0.854 425 R HN 0.306 nan 8.270 nan 0.000 0.436 426 L N -0.720 120.320 121.223 -0.306 0.000 2.127 426 L HA -0.032 4.325 4.340 0.028 0.000 0.203 426 L C 2.569 179.276 176.870 -0.271 0.000 1.080 426 L CA 1.361 55.883 54.840 -0.530 0.000 0.768 426 L CB -0.612 40.890 42.059 -0.929 0.000 0.924 426 L HN 0.378 nan 8.230 nan 0.000 0.444 427 T N -4.084 110.352 114.554 -0.196 0.000 3.007 427 T HA -0.190 4.177 4.350 0.028 0.000 0.270 427 T C 1.316 175.918 174.700 -0.164 0.000 1.107 427 T CA 1.397 63.371 62.100 -0.209 0.000 1.118 427 T CB -0.241 68.457 68.868 -0.284 0.000 0.889 427 T HN 0.126 nan 8.240 nan 0.000 0.506 428 D N 1.009 121.349 120.400 -0.100 0.000 2.349 428 D HA 0.103 4.760 4.640 0.028 0.000 0.214 428 D C -0.218 176.057 176.300 -0.042 0.000 1.063 428 D CA -0.183 53.772 54.000 -0.076 0.000 0.847 428 D CB -0.107 40.657 40.800 -0.060 0.000 0.933 428 D HN 0.327 nan 8.370 nan 0.000 0.513 429 D N -0.008 120.381 120.400 -0.018 0.000 2.359 429 D HA 0.117 4.773 4.640 0.028 0.000 0.230 429 D C -1.652 174.703 176.300 0.092 0.000 1.118 429 D CA -2.246 51.785 54.000 0.051 0.000 0.844 429 D CB 1.878 42.750 40.800 0.120 0.000 1.059 429 D HN -0.023 nan 8.370 nan 0.000 0.493 430 P HA -0.136 nan 4.420 nan 0.000 0.221 430 P C 1.011 178.322 177.300 0.017 0.000 1.145 430 P CA 0.770 63.882 63.100 0.019 0.000 0.795 430 P CB 0.269 31.968 31.700 -0.003 0.000 0.775 431 R N -1.921 118.599 120.500 0.035 0.000 2.237 431 R HA -0.074 4.283 4.340 0.028 0.000 0.219 431 R C 1.482 177.683 176.300 -0.166 0.000 1.080 431 R CA 1.043 57.097 56.100 -0.076 0.000 0.995 431 R CB -0.486 29.749 30.300 -0.108 0.000 0.875 431 R HN 0.339 nan 8.270 nan 0.000 0.462 432 W N -0.374 120.868 121.300 -0.096 0.000 3.220 432 W HA 0.109 4.785 4.660 0.027 0.000 0.328 432 W C 1.496 177.953 176.519 -0.103 0.000 1.205 432 W CA -0.520 56.767 57.345 -0.097 0.000 1.773 432 W CB 0.072 29.471 29.460 -0.101 0.000 1.086 432 W HN -0.008 nan 8.180 nan 0.000 0.622 433 L N 2.452 123.710 121.223 0.059 0.000 2.043 433 L HA -0.111 4.245 4.340 0.028 0.000 0.212 433 L C -0.625 176.215 176.870 -0.051 0.000 1.075 433 L CA 2.309 57.142 54.840 -0.013 0.000 0.752 433 L CB -1.796 40.242 42.059 -0.034 0.000 0.891 433 L HN -0.207 nan 8.230 nan 0.000 0.432 434 P HA -0.190 nan 4.420 nan 0.000 0.214 434 P C 1.645 178.894 177.300 -0.085 0.000 1.163 434 P CA 2.382 65.423 63.100 -0.097 0.000 0.889 434 P CB -0.309 31.323 31.700 -0.114 0.000 0.790 435 A N -0.882 121.903 122.820 -0.058 0.000 1.908 435 A HA -0.211 4.125 4.320 0.028 0.000 0.218 435 A C 2.291 179.890 177.584 0.025 0.000 1.181 435 A CA 2.308 54.343 52.037 -0.003 0.000 0.627 435 A CB -1.529 17.508 19.000 0.061 0.000 0.818 435 A HN 0.123 nan 8.150 nan 0.000 0.445 436 M N 0.064 119.684 119.600 0.034 0.000 2.132 436 M HA -0.129 4.367 4.480 0.028 0.000 0.263 436 M C 2.560 178.805 176.300 -0.092 0.000 1.065 436 M CA 1.634 56.929 55.300 -0.007 0.000 1.122 436 M CB -0.411 32.166 32.600 -0.038 0.000 1.365 436 M HN 0.667 nan 8.290 nan 0.000 0.411 437 S N 0.638 116.258 115.700 -0.134 0.000 2.365 437 S HA -0.214 4.272 4.470 0.028 0.000 0.225 437 S C 1.642 176.073 174.600 -0.282 0.000 1.039 437 S CA 1.681 59.734 58.200 -0.246 0.000 1.033 437 S CB -0.622 62.415 63.200 -0.271 0.000 0.887 437 S HN 0.526 nan 8.310 nan 0.000 0.447 438 E N 0.811 120.897 120.200 -0.189 0.000 2.204 438 E HA -0.088 4.279 4.350 0.028 0.000 0.195 438 E C 2.445 178.960 176.600 -0.142 0.000 0.990 438 E CA 0.900 57.197 56.400 -0.171 0.000 0.821 438 E CB -0.104 29.534 29.700 -0.103 0.000 0.750 438 E HN 0.584 nan 8.360 nan 0.000 0.477 439 R N -0.090 120.354 120.500 -0.094 0.000 2.115 439 R HA -0.062 4.295 4.340 0.028 0.000 0.226 439 R C 2.273 178.530 176.300 -0.071 0.000 1.100 439 R CA 0.736 56.812 56.100 -0.040 0.000 0.980 439 R CB 0.047 30.363 30.300 0.027 0.000 0.875 439 R HN 0.024 nan 8.270 nan 0.000 0.445 440 V N 0.306 120.131 119.914 -0.148 0.000 2.331 440 V HA -0.186 3.950 4.120 0.028 0.000 0.242 440 V C 2.523 178.429 176.094 -0.313 0.000 1.034 440 V CA 2.172 64.359 62.300 -0.187 0.000 1.027 440 V CB -0.404 31.299 31.823 -0.201 0.000 0.667 440 V HN 0.520 nan 8.190 nan 0.000 0.457 441 T N -0.743 113.494 114.554 -0.529 0.000 2.788 441 T HA -0.227 4.139 4.350 0.028 0.000 0.268 441 T C 1.929 176.472 174.700 -0.261 0.000 1.044 441 T CA 1.371 63.068 62.100 -0.671 0.000 1.139 441 T CB -0.391 67.867 68.868 -1.017 0.000 0.867 441 T HN 0.407 nan 8.240 nan 0.000 0.454 442 R N 0.158 120.529 120.500 -0.214 0.000 2.148 442 R HA 0.242 4.599 4.340 0.028 0.000 0.223 442 R C 2.600 178.826 176.300 -0.124 0.000 1.088 442 R CA 1.281 57.294 56.100 -0.146 0.000 0.985 442 R CB -0.418 29.805 30.300 -0.128 0.000 0.880 442 R HN 0.491 nan 8.270 nan 0.000 0.451 443 M N 0.407 119.937 119.600 -0.116 0.000 2.123 443 M HA -0.105 4.391 4.480 0.028 0.000 0.263 443 M C 1.771 177.998 176.300 -0.122 0.000 1.069 443 M CA 1.540 56.800 55.300 -0.066 0.000 1.133 443 M CB 0.193 32.786 32.600 -0.011 0.000 1.356 443 M HN -0.039 nan 8.290 nan 0.000 0.415 444 V N 0.952 120.688 119.914 -0.297 0.000 2.358 444 V HA -0.264 3.872 4.120 0.028 0.000 0.246 444 V C 2.240 178.232 176.094 -0.170 0.000 1.047 444 V CA 1.908 63.908 62.300 -0.500 0.000 1.035 444 V CB -0.888 30.583 31.823 -0.587 0.000 0.658 444 V HN 0.583 nan 8.190 nan 0.000 0.452 445 Q N -0.624 119.115 119.800 -0.101 0.000 2.224 445 Q HA -0.197 4.160 4.340 0.028 0.000 0.203 445 Q C 2.458 178.387 176.000 -0.119 0.000 0.970 445 Q CA 1.418 57.174 55.803 -0.078 0.000 0.865 445 Q CB -0.139 28.574 28.738 -0.042 0.000 0.922 445 Q HN 0.537 nan 8.270 nan 0.000 0.445 446 R N 0.265 120.686 120.500 -0.132 0.000 2.100 446 R HA -0.079 4.278 4.340 0.028 0.000 0.220 446 R C 0.468 176.703 176.300 -0.109 0.000 1.091 446 R CA 1.226 57.223 56.100 -0.172 0.000 0.986 446 R CB 0.439 30.633 30.300 -0.175 0.000 0.888 446 R HN 0.132 nan 8.270 nan 0.000 0.444 447 D N 0.001 120.403 120.400 0.004 0.000 2.369 447 D HA -0.013 4.643 4.640 0.028 0.000 0.211 447 D C 1.385 177.815 176.300 0.216 0.000 1.077 447 D CA 0.161 54.218 54.000 0.095 0.000 0.842 447 D CB 0.219 41.009 40.800 -0.016 0.000 0.947 447 D HN 0.367 nan 8.370 nan 0.000 0.509 448 R N 0.624 121.266 120.500 0.237 0.000 2.293 448 R HA 0.014 4.371 4.340 0.028 0.000 0.219 448 R C 0.652 176.955 176.300 0.005 0.000 1.091 448 R CA 0.891 57.128 56.100 0.229 0.000 1.004 448 R CB -0.222 30.162 30.300 0.140 0.000 0.865 448 R HN -0.093 nan 8.270 nan 0.000 0.469 449 N N 0.324 118.951 118.700 -0.120 0.000 2.270 449 N HA 0.011 4.767 4.740 0.028 0.000 0.198 449 N C -0.624 174.759 175.510 -0.211 0.000 1.117 449 N CA 0.165 53.118 53.050 -0.162 0.000 0.845 449 N CB 0.149 38.517 38.487 -0.199 0.000 0.980 449 N HN 0.276 nan 8.380 nan 0.000 0.486 450 H N 1.338 120.353 119.070 -0.092 0.000 2.800 450 H HA 0.114 4.686 4.556 0.027 0.000 0.291 450 H C -1.198 173.982 175.328 -0.247 0.000 1.076 450 H CA -1.340 54.636 56.048 -0.121 0.000 1.452 450 H CB 1.533 31.261 29.762 -0.057 0.000 1.461 450 H HN 0.051 nan 8.280 nan 0.000 0.488 451 P HA -0.165 nan 4.420 nan 0.000 0.218 451 P C 1.476 178.325 177.300 -0.750 0.000 1.149 451 P CA 1.226 63.974 63.100 -0.586 0.000 0.817 451 P CB 0.244 31.340 31.700 -1.007 0.000 0.785 452 S N -0.771 114.591 115.700 -0.564 0.000 2.419 452 S HA -0.069 4.417 4.470 0.028 0.000 0.235 452 S C 1.117 175.693 174.600 -0.041 0.000 1.019 452 S CA 0.556 58.608 58.200 -0.247 0.000 0.982 452 S CB -1.598 61.606 63.200 0.008 0.000 0.789 452 S HN -0.040 nan 8.310 nan 0.000 0.490 453 V N 3.562 123.417 119.914 -0.098 0.000 2.439 453 V HA 0.254 4.391 4.120 0.028 0.000 0.271 453 V C 1.109 177.062 176.094 -0.235 0.000 1.040 453 V CA -0.052 62.150 62.300 -0.162 0.000 1.002 453 V CB 0.524 32.136 31.823 -0.352 0.000 1.000 453 V HN 0.627 nan 8.190 nan 0.000 0.477 454 I N 2.655 123.147 120.570 -0.131 0.000 4.181 454 I HA 0.513 4.700 4.170 0.028 0.000 0.331 454 I C 0.348 176.361 176.117 -0.174 0.000 1.312 454 I CA 0.549 61.782 61.300 -0.112 0.000 1.146 454 I CB 0.474 38.489 38.000 0.025 0.000 1.074 454 I HN 0.330 nan 8.210 nan 0.000 0.402 455 I N 0.101 120.541 120.570 -0.217 0.000 2.752 455 I HA 0.364 4.551 4.170 0.028 0.000 0.295 455 I C -1.578 174.455 176.117 -0.139 0.000 1.219 455 I CA -0.396 60.822 61.300 -0.136 0.000 1.030 455 I CB 2.074 40.087 38.000 0.022 0.000 1.259 455 I HN 0.020 nan 8.210 nan 0.000 0.423 456 W N 3.645 124.997 121.300 0.086 0.000 2.512 456 W HA 0.655 5.329 4.660 0.024 0.000 0.335 456 W C 0.343 176.931 176.519 0.114 0.000 1.088 456 W CA -0.708 56.694 57.345 0.095 0.000 1.236 456 W CB 1.711 31.222 29.460 0.086 0.000 1.307 456 W HN 0.300 nan 8.180 nan 0.000 0.567 457 S N 2.309 118.243 115.700 0.389 0.000 2.482 457 S HA 0.416 4.903 4.470 0.028 0.000 0.303 457 S C 0.163 174.930 174.600 0.279 0.000 1.091 457 S CA -0.705 57.674 58.200 0.298 0.000 1.057 457 S CB 0.785 64.119 63.200 0.222 0.000 1.031 457 S HN 0.581 nan 8.310 nan 0.000 0.485 458 L N 4.122 125.502 121.223 0.261 0.000 2.627 458 L HA 0.358 4.715 4.340 0.028 0.000 0.233 458 L C 1.309 178.239 176.870 0.100 0.000 1.144 458 L CA 0.412 55.323 54.840 0.118 0.000 0.892 458 L CB -1.129 40.894 42.059 -0.061 0.000 1.039 458 L HN 0.986 nan 8.230 nan 0.000 0.442 459 G N -0.002 108.947 108.800 0.248 0.000 2.298 459 G HA2 -0.129 3.848 3.960 0.028 0.000 0.309 459 G HA3 -0.129 3.848 3.960 0.028 0.000 0.309 459 G C -1.673 173.447 174.900 0.366 0.000 1.279 459 G CA -0.741 44.516 45.100 0.263 0.000 1.042 459 G HN 0.144 nan 8.290 nan 0.000 0.480 460 N N 0.210 119.071 118.700 0.268 0.000 2.287 460 N HA 0.488 5.244 4.740 0.028 0.000 0.289 460 N C -0.416 175.109 175.510 0.024 0.000 1.066 460 N CA -0.092 52.982 53.050 0.041 0.000 0.841 460 N CB 1.677 39.890 38.487 -0.457 0.000 1.599 460 N HN 0.827 nan 8.380 nan 0.000 0.476 461 E N 1.018 121.178 120.200 -0.066 0.000 2.173 461 E HA -0.187 4.180 4.350 0.028 0.000 0.160 461 E C -0.829 175.785 176.600 0.024 0.000 1.581 461 E CA 0.729 57.080 56.400 -0.081 0.000 0.618 461 E CB -1.077 28.512 29.700 -0.185 0.000 1.049 461 E HN 0.440 nan 8.360 nan 0.000 0.311 462 S N 0.223 116.032 115.700 0.182 0.000 3.073 462 S HA 0.382 4.868 4.470 0.028 0.000 0.252 462 S C 0.609 175.393 174.600 0.307 0.000 0.953 462 S CA -0.196 58.138 58.200 0.224 0.000 1.105 462 S CB 1.392 64.770 63.200 0.297 0.000 1.070 462 S HN 0.882 nan 8.310 nan 0.000 0.574 463 G N 2.070 110.996 108.800 0.209 0.000 2.564 463 G HA2 -0.272 3.704 3.960 0.028 0.000 0.273 463 G HA3 -0.272 3.704 3.960 0.028 0.000 0.273 463 G C -0.456 174.660 174.900 0.361 0.000 1.242 463 G CA 0.116 45.333 45.100 0.195 0.000 0.951 463 G HN 0.672 nan 8.290 nan 0.000 0.564 464 H N 0.418 119.618 119.070 0.216 0.000 2.924 464 H HA 0.563 5.135 4.556 0.028 0.000 0.333 464 H C 0.264 175.766 175.328 0.291 0.000 0.979 464 H CA -0.113 56.107 56.048 0.287 0.000 1.326 464 H CB 0.730 30.587 29.762 0.159 0.000 1.600 464 H HN 1.068 nan 8.280 nan 0.000 0.520 465 G N 1.411 110.343 108.800 0.220 0.000 2.630 465 G HA2 0.458 4.435 3.960 0.028 0.000 0.296 465 G HA3 0.458 4.435 3.960 0.028 0.000 0.296 465 G C 0.527 175.314 174.900 -0.187 0.000 1.285 465 G CA -0.155 44.883 45.100 -0.105 0.000 0.958 465 G HN 0.660 nan 8.290 nan 0.000 0.479 466 A N 0.200 122.924 122.820 -0.159 0.000 2.019 466 A HA -0.073 4.264 4.320 0.028 0.000 0.219 466 A C 2.119 179.672 177.584 -0.052 0.000 1.164 466 A CA 1.830 53.811 52.037 -0.093 0.000 0.644 466 A CB -0.450 18.515 19.000 -0.059 0.000 0.805 466 A HN 0.531 nan 8.150 nan 0.000 0.449 467 N N -0.111 118.519 118.700 -0.117 0.000 2.205 467 N HA -0.164 4.593 4.740 0.028 0.000 0.186 467 N C 1.369 176.811 175.510 -0.113 0.000 1.015 467 N CA 1.791 54.759 53.050 -0.137 0.000 0.862 467 N CB -0.670 37.696 38.487 -0.203 0.000 0.986 467 N HN 0.794 nan 8.380 nan 0.000 0.429 468 H N 0.248 119.310 119.070 -0.013 0.000 2.326 468 H HA -0.021 4.551 4.556 0.027 0.000 0.301 468 H C 1.318 176.720 175.328 0.125 0.000 1.081 468 H CA 1.293 57.347 56.048 0.011 0.000 1.334 468 H CB 0.116 29.906 29.762 0.047 0.000 1.385 468 H HN 0.180 nan 8.280 nan 0.000 0.504 469 D N 0.424 120.988 120.400 0.273 0.000 2.117 469 D HA -0.141 4.515 4.640 0.028 0.000 0.197 469 D C 2.313 178.764 176.300 0.253 0.000 0.987 469 D CA 1.185 55.341 54.000 0.259 0.000 0.829 469 D CB -0.406 40.510 40.800 0.193 0.000 0.961 469 D HN 0.424 nan 8.370 nan 0.000 0.460 470 A N 0.930 123.846 122.820 0.161 0.000 1.877 470 A HA -0.137 4.200 4.320 0.028 0.000 0.216 470 A C 2.436 180.125 177.584 0.175 0.000 1.186 470 A CA 1.020 53.141 52.037 0.140 0.000 0.620 470 A CB -0.821 18.218 19.000 0.065 0.000 0.822 470 A HN 0.205 nan 8.150 nan 0.000 0.443 471 L N -2.099 119.208 121.223 0.141 0.000 2.141 471 L HA -0.153 4.203 4.340 0.028 0.000 0.209 471 L C 2.573 179.583 176.870 0.233 0.000 1.094 471 L CA 1.522 56.442 54.840 0.134 0.000 0.763 471 L CB -0.653 41.420 42.059 0.024 0.000 0.908 471 L HN 0.628 nan 8.230 nan 0.000 0.437 472 Y N 1.200 121.582 120.300 0.138 0.000 2.128 472 Y HA -0.322 4.241 4.550 0.022 0.000 0.284 472 Y C 2.799 178.784 175.900 0.143 0.000 1.154 472 Y CA 1.738 59.923 58.100 0.143 0.000 1.149 472 Y CB -0.119 38.427 38.460 0.144 0.000 0.976 472 Y HN -0.033 nan 8.280 nan 0.000 0.505 473 R N -0.155 120.467 120.500 0.202 0.000 2.092 473 R HA -0.182 4.174 4.340 0.028 0.000 0.231 473 R C 2.025 178.342 176.300 0.029 0.000 1.119 473 R CA 1.854 57.997 56.100 0.070 0.000 0.970 473 R CB -1.438 28.967 30.300 0.175 0.000 0.864 473 R HN 0.642 nan 8.270 nan 0.000 0.440 474 W N 0.550 121.809 121.300 -0.068 0.000 2.335 474 W HA -0.168 4.508 4.660 0.027 0.000 0.311 474 W C 1.623 178.050 176.519 -0.154 0.000 1.213 474 W CA 2.096 59.385 57.345 -0.093 0.000 1.274 474 W CB -0.271 29.137 29.460 -0.086 0.000 1.148 474 W HN 0.077 nan 8.180 nan 0.000 0.498 475 I N 0.828 121.455 120.570 0.095 0.000 2.179 475 I HA -0.354 3.832 4.170 0.028 0.000 0.242 475 I C 2.473 178.394 176.117 -0.327 0.000 1.088 475 I CA 1.367 62.540 61.300 -0.212 0.000 1.357 475 I CB -0.770 37.156 38.000 -0.124 0.000 1.051 475 I HN -0.093 nan 8.210 nan 0.000 0.409 476 K N 0.403 120.617 120.400 -0.311 0.000 2.113 476 K HA -0.205 4.131 4.320 0.028 0.000 0.208 476 K C 2.287 178.750 176.600 -0.229 0.000 1.047 476 K CA 1.692 57.816 56.287 -0.270 0.000 0.928 476 K CB -0.645 31.669 32.500 -0.309 0.000 0.716 476 K HN 0.265 nan 8.250 nan 0.000 0.446 477 S N 0.971 116.506 115.700 -0.274 0.000 2.355 477 S HA -0.104 4.383 4.470 0.028 0.000 0.222 477 S C 2.094 176.475 174.600 -0.367 0.000 1.031 477 S CA 1.463 59.499 58.200 -0.273 0.000 0.993 477 S CB -0.215 62.822 63.200 -0.273 0.000 0.859 477 S HN 0.212 nan 8.310 nan 0.000 0.453 478 V N -0.586 118.958 119.914 -0.616 0.000 2.719 478 V HA 0.210 4.347 4.120 0.028 0.000 0.252 478 V C 0.374 176.225 176.094 -0.404 0.000 1.065 478 V CA 1.691 63.614 62.300 -0.627 0.000 1.086 478 V CB -0.406 30.781 31.823 -1.061 0.000 0.700 478 V HN 0.490 nan 8.190 nan 0.000 0.467 479 D N 0.162 120.379 120.400 -0.306 0.000 2.429 479 D HA 0.392 5.049 4.640 0.028 0.000 0.255 479 D C -2.118 174.170 176.300 -0.020 0.000 1.257 479 D CA -1.781 52.150 54.000 -0.115 0.000 0.890 479 D CB 1.597 42.415 40.800 0.029 0.000 1.267 479 D HN 0.181 nan 8.370 nan 0.000 0.521 480 P HA -0.086 nan 4.420 nan 0.000 0.225 480 P C 1.292 178.609 177.300 0.029 0.000 1.148 480 P CA 0.647 63.736 63.100 -0.017 0.000 0.779 480 P CB 0.094 31.776 31.700 -0.030 0.000 0.780 481 S N -1.574 114.151 115.700 0.041 0.000 2.507 481 S HA -0.030 4.457 4.470 0.028 0.000 0.235 481 S C 0.881 175.508 174.600 0.045 0.000 0.988 481 S CA 0.241 58.470 58.200 0.049 0.000 0.944 481 S CB -0.528 62.693 63.200 0.035 0.000 0.762 481 S HN 0.088 nan 8.310 nan 0.000 0.526 482 R N 0.795 121.338 120.500 0.072 0.000 2.725 482 R HA 0.559 4.915 4.340 0.028 0.000 0.277 482 R C -3.225 173.131 176.300 0.094 0.000 0.987 482 R CA -2.273 53.837 56.100 0.018 0.000 0.901 482 R CB 1.546 31.747 30.300 -0.164 0.000 1.207 482 R HN 0.115 nan 8.270 nan 0.000 0.463 483 P HA 0.103 nan 4.420 nan 0.000 0.272 483 P C -0.881 176.534 177.300 0.192 0.000 1.230 483 P CA -0.387 62.783 63.100 0.118 0.000 0.788 483 P CB 0.690 32.444 31.700 0.089 0.000 0.949 484 V N 2.642 122.697 119.914 0.235 0.000 2.417 484 V HA 0.394 4.530 4.120 0.028 0.000 0.291 484 V C 0.272 176.565 176.094 0.332 0.000 1.024 484 V CA -0.268 62.221 62.300 0.315 0.000 0.861 484 V CB 1.033 33.011 31.823 0.259 0.000 0.985 484 V HN 0.612 nan 8.190 nan 0.000 0.436 485 Q N 4.009 123.979 119.800 0.283 0.000 2.458 485 Q HA 0.817 5.174 4.340 0.028 0.000 0.282 485 Q C -1.810 174.353 176.000 0.271 0.000 1.106 485 Q CA -0.943 54.990 55.803 0.217 0.000 0.814 485 Q CB 2.982 31.799 28.738 0.131 0.000 1.425 485 Q HN 0.627 nan 8.270 nan 0.000 0.437 486 Y N 0.053 120.367 120.300 0.023 0.000 2.357 486 Y HA 0.138 4.702 4.550 0.025 0.000 0.319 486 Y C -0.593 175.255 175.900 -0.088 0.000 1.225 486 Y CA -0.723 57.359 58.100 -0.030 0.000 1.095 486 Y CB 1.962 40.390 38.460 -0.053 0.000 1.302 486 Y HN 0.950 nan 8.280 nan 0.000 0.429 487 E N 3.460 123.213 120.200 -0.745 0.000 2.318 487 E HA 0.132 4.499 4.350 0.028 0.000 0.193 487 E C 0.680 176.886 176.600 -0.657 0.000 0.998 487 E CA 0.789 56.854 56.400 -0.557 0.000 0.859 487 E CB 0.212 29.715 29.700 -0.329 0.000 0.812 487 E HN 0.889 nan 8.360 nan 0.000 0.492 488 G N -0.033 108.005 108.800 -1.270 0.000 2.474 488 G HA2 0.212 4.189 3.960 0.028 0.000 0.233 488 G HA3 0.212 4.189 3.960 0.028 0.000 0.233 488 G C 0.815 175.563 174.900 -0.253 0.000 1.278 488 G CA 0.328 45.016 45.100 -0.688 0.000 0.861 488 G HN 0.368 nan 8.290 nan 0.000 0.567 489 G N -0.409 108.363 108.800 -0.047 0.000 2.179 489 G HA2 0.220 4.197 3.960 0.028 0.000 0.257 489 G HA3 0.220 4.197 3.960 0.028 0.000 0.257 489 G C 1.297 176.206 174.900 0.016 0.000 1.010 489 G CA 1.023 46.154 45.100 0.052 0.000 0.736 489 G HN 2.632 nan 8.290 nan 0.000 0.513 490 G N -1.632 107.167 108.800 -0.001 0.000 2.192 490 G HA2 0.416 4.392 3.960 0.028 0.000 0.193 490 G HA3 0.416 4.392 3.960 0.028 0.000 0.193 490 G C 1.050 176.054 174.900 0.173 0.000 0.999 490 G CA 1.315 46.475 45.100 0.100 0.000 0.659 490 G HN 2.351 nan 8.290 nan 0.000 0.503 491 A N -0.236 122.573 122.820 -0.018 0.000 3.661 491 A HA -0.130 4.206 4.320 0.028 0.000 0.269 491 A C 1.111 178.625 177.584 -0.117 0.000 1.056 491 A CA 2.647 54.620 52.037 -0.107 0.000 1.159 491 A CB -1.766 17.150 19.000 -0.139 0.000 1.105 491 A HN 2.118 nan 8.150 nan 0.000 0.907 492 D N -0.911 119.502 120.400 0.022 0.000 2.785 492 D HA 0.304 4.961 4.640 0.028 0.000 0.324 492 D C 0.403 176.700 176.300 -0.006 0.000 1.523 492 D CA 0.856 54.873 54.000 0.029 0.000 0.789 492 D CB -1.184 39.767 40.800 0.253 0.000 1.171 492 D HN 0.838 nan 8.370 nan 0.000 0.447 493 T N -2.207 112.275 114.554 -0.120 0.000 2.689 493 T HA 0.192 4.559 4.350 0.028 0.000 0.308 493 T C 1.524 176.097 174.700 -0.212 0.000 1.021 493 T CA 0.484 62.452 62.100 -0.219 0.000 0.973 493 T CB 0.660 69.161 68.868 -0.611 0.000 1.113 493 T HN 0.070 nan 8.240 nan 0.000 0.522 494 T N -2.387 112.047 114.554 -0.200 0.000 3.160 494 T HA 0.295 4.661 4.350 0.028 0.000 0.257 494 T C 1.427 175.897 174.700 -0.384 0.000 1.147 494 T CA 0.145 62.135 62.100 -0.184 0.000 1.064 494 T CB -0.466 68.370 68.868 -0.053 0.000 0.949 494 T HN 0.819 nan 8.240 nan 0.000 0.526 495 A N 0.556 123.145 122.820 -0.384 0.000 2.460 495 A HA 0.511 4.848 4.320 0.028 0.000 0.258 495 A C 0.790 178.167 177.584 -0.346 0.000 1.300 495 A CA -0.356 51.414 52.037 -0.444 0.000 0.913 495 A CB 0.063 19.057 19.000 -0.009 0.000 1.031 495 A HN 0.407 nan 8.150 nan 0.000 0.512 496 T N -1.343 113.035 114.554 -0.293 0.000 2.916 496 T HA 0.371 4.738 4.350 0.028 0.000 0.298 496 T C -0.611 174.095 174.700 0.010 0.000 1.031 496 T CA -0.441 61.642 62.100 -0.029 0.000 0.993 496 T CB 1.250 70.105 68.868 -0.022 0.000 1.045 496 T HN 0.093 nan 8.240 nan 0.000 0.454 497 D N 2.816 123.308 120.400 0.153 0.000 2.348 497 D HA 0.271 4.927 4.640 0.028 0.000 0.211 497 D C 0.281 176.612 176.300 0.053 0.000 0.998 497 D CA 0.685 54.766 54.000 0.134 0.000 0.873 497 D CB 0.411 41.322 40.800 0.185 0.000 0.925 497 D HN 0.532 nan 8.370 nan 0.000 0.524 498 I N 1.057 121.640 120.570 0.022 0.000 2.533 498 I HA 0.245 4.432 4.170 0.028 0.000 0.290 498 I C -0.224 175.829 176.117 -0.107 0.000 1.056 498 I CA -0.867 60.411 61.300 -0.036 0.000 1.057 498 I CB 2.778 40.771 38.000 -0.012 0.000 1.240 498 I HN -0.344 nan 8.210 nan 0.000 0.423 499 I N 5.838 126.297 120.570 -0.186 0.000 2.581 499 I HA 0.021 4.208 4.170 0.028 0.000 0.285 499 I C 0.209 176.116 176.117 -0.350 0.000 1.129 499 I CA 0.089 61.176 61.300 -0.354 0.000 1.397 499 I CB 0.007 37.671 38.000 -0.561 0.000 1.399 499 I HN 0.684 nan 8.210 nan 0.000 0.537 500 C N 5.539 124.650 119.300 -0.316 0.000 3.401 500 C HA 0.446 4.923 4.460 0.028 0.000 0.204 500 C C -2.134 172.727 174.990 -0.215 0.000 1.522 500 C CA -2.310 56.579 59.018 -0.216 0.000 1.409 500 C CB -0.965 26.708 27.740 -0.111 0.000 1.967 500 C HN 0.418 nan 8.230 nan 0.000 0.496 501 P HA 0.246 nan 4.420 nan 0.000 0.271 501 P C -0.385 176.874 177.300 -0.068 0.000 1.244 501 P CA 0.524 63.528 63.100 -0.159 0.000 0.793 501 P CB 0.605 32.231 31.700 -0.123 0.000 0.984 502 M N -0.307 119.291 119.600 -0.004 0.000 2.190 502 M HA 0.458 4.955 4.480 0.028 0.000 0.312 502 M C -0.787 175.532 176.300 0.032 0.000 0.990 502 M CA -0.719 54.493 55.300 -0.147 0.000 0.927 502 M CB 1.382 33.919 32.600 -0.105 0.000 1.571 502 M HN 0.311 nan 8.290 nan 0.000 0.427 503 Y N -0.377 120.101 120.300 0.297 0.000 4.409 503 Y HA -0.226 4.341 4.550 0.029 0.000 0.228 503 Y C 0.576 176.668 175.900 0.319 0.000 1.108 503 Y CA 0.489 58.774 58.100 0.308 0.000 1.955 503 Y CB -2.300 36.320 38.460 0.267 0.000 1.615 503 Y HN 0.980 nan 8.280 nan 0.000 0.665 504 A N 1.104 124.148 122.820 0.374 0.000 2.462 504 A HA 0.535 4.872 4.320 0.028 0.000 0.243 504 A C 0.760 178.576 177.584 0.387 0.000 1.076 504 A CA -0.348 51.920 52.037 0.386 0.000 0.773 504 A CB 0.363 19.627 19.000 0.439 0.000 1.010 504 A HN 0.428 nan 8.150 nan 0.000 0.493 505 R N 1.328 121.984 120.500 0.260 0.000 2.546 505 R HA 0.346 4.703 4.340 0.028 0.000 0.266 505 R C 1.148 177.435 176.300 -0.022 0.000 1.086 505 R CA -0.685 55.491 56.100 0.126 0.000 1.160 505 R CB 0.636 30.981 30.300 0.076 0.000 1.138 505 R HN 0.502 nan 8.270 nan 0.000 0.567 506 V N 0.698 120.451 119.914 -0.269 0.000 2.223 506 V HA -0.234 3.903 4.120 0.028 0.000 0.244 506 V C 1.029 177.023 176.094 -0.166 0.000 1.045 506 V CA 1.891 63.994 62.300 -0.328 0.000 1.000 506 V CB -0.250 31.254 31.823 -0.533 0.000 0.635 506 V HN 0.753 nan 8.190 nan 0.000 0.445 507 D N -1.460 118.871 120.400 -0.116 0.000 2.454 507 D HA 0.103 4.760 4.640 0.028 0.000 0.219 507 D C 0.919 177.207 176.300 -0.020 0.000 1.081 507 D CA 0.094 54.057 54.000 -0.061 0.000 0.867 507 D CB 0.611 41.379 40.800 -0.054 0.000 1.054 507 D HN 0.481 nan 8.370 nan 0.000 0.500 508 E N 1.862 122.055 120.200 -0.012 0.000 2.146 508 E HA 0.109 4.475 4.350 0.028 0.000 0.282 508 E C -0.877 175.728 176.600 0.007 0.000 0.989 508 E CA -0.595 55.805 56.400 0.000 0.000 0.799 508 E CB 0.911 30.613 29.700 0.002 0.000 1.088 508 E HN -0.163 nan 8.360 nan 0.000 0.397 509 D N 3.550 123.952 120.400 0.004 0.000 2.341 509 D HA 0.113 4.770 4.640 0.028 0.000 0.245 509 D C -0.543 175.643 176.300 -0.191 0.000 1.106 509 D CA 0.224 54.215 54.000 -0.015 0.000 0.905 509 D CB 1.091 41.952 40.800 0.101 0.000 1.202 509 D HN 0.393 nan 8.370 nan 0.000 0.426 510 Q N 1.484 121.039 119.800 -0.409 0.000 2.932 510 Q HA 0.241 4.598 4.340 0.028 0.000 0.248 510 Q C -2.216 173.021 176.000 -1.272 0.000 0.982 510 Q CA -1.506 53.811 55.803 -0.810 0.000 0.730 510 Q CB 2.143 30.437 28.738 -0.740 0.000 1.249 510 Q HN 0.167 nan 8.270 nan 0.000 0.476 511 P HA -0.031 nan 4.420 nan 0.000 0.238 511 P C -0.679 176.268 177.300 -0.587 0.000 1.714 511 P CA -0.007 62.615 63.100 -0.796 0.000 0.908 511 P CB -0.663 30.789 31.700 -0.414 0.000 1.893 512 F N 1.898 121.675 119.950 -0.289 0.000 2.553 512 F HA 0.138 4.680 4.527 0.026 0.000 0.356 512 F C -1.104 174.583 175.800 -0.188 0.000 1.142 512 F CA -2.351 55.534 58.000 -0.192 0.000 1.322 512 F CB -0.744 38.158 39.000 -0.163 0.000 1.126 512 F HN 0.038 nan 8.300 nan 0.000 0.599 513 P HA 0.080 nan 4.420 nan 0.000 0.265 513 P C 0.357 177.669 177.300 0.021 0.000 1.193 513 P CA 0.959 64.072 63.100 0.020 0.000 0.765 513 P CB 1.081 32.792 31.700 0.020 0.000 0.823 514 A N 2.920 125.744 122.820 0.008 0.000 3.275 514 A HA -0.244 4.092 4.320 0.028 0.000 0.241 514 A C 0.725 178.318 177.584 0.016 0.000 0.607 514 A CA 1.967 54.015 52.037 0.018 0.000 1.181 514 A CB -2.652 16.359 19.000 0.018 0.000 1.304 514 A HN 0.751 nan 8.150 nan 0.000 0.682 515 V N -3.332 116.585 119.914 0.006 0.000 2.575 515 V HA 0.534 4.671 4.120 0.028 0.000 0.281 515 V C -2.312 173.781 176.094 -0.002 0.000 1.087 515 V CA -1.160 61.146 62.300 0.010 0.000 1.193 515 V CB 0.582 32.413 31.823 0.014 0.000 1.426 515 V HN 0.500 nan 8.190 nan 0.000 0.623 516 P HA 0.201 nan 4.420 nan 0.000 0.268 516 P C -0.570 176.339 177.300 -0.652 0.000 1.208 516 P CA 0.292 63.022 63.100 -0.617 0.000 0.777 516 P CB 0.908 31.771 31.700 -1.396 0.000 0.875 517 K N 2.325 122.405 120.400 -0.532 0.000 2.419 517 K HA 0.202 4.539 4.320 0.028 0.000 0.244 517 K C -0.406 175.923 176.600 -0.451 0.000 1.045 517 K CA -0.270 55.888 56.287 -0.214 0.000 1.004 517 K CB 0.311 32.957 32.500 0.244 0.000 1.376 517 K HN 0.466 nan 8.250 nan 0.000 0.460 518 W N 1.310 122.275 121.300 -0.559 0.000 2.126 518 W HA 0.051 4.728 4.660 0.028 0.000 0.346 518 W C 1.338 177.842 176.519 -0.024 0.000 1.279 518 W CA -0.397 56.708 57.345 -0.400 0.000 1.259 518 W CB 0.444 29.453 29.460 -0.752 0.000 1.133 518 W HN 0.366 nan 8.180 nan 0.000 0.592 519 S N 2.997 118.839 115.700 0.236 0.000 2.558 519 S HA -0.083 4.404 4.470 0.028 0.000 0.293 519 S C 1.165 175.916 174.600 0.251 0.000 1.292 519 S CA -0.144 58.153 58.200 0.162 0.000 1.063 519 S CB 0.155 63.400 63.200 0.075 0.000 0.831 519 S HN 0.498 nan 8.310 nan 0.000 0.499 520 I N 1.879 122.571 120.570 0.203 0.000 2.394 520 I HA -0.091 4.096 4.170 0.028 0.000 0.251 520 I C 2.069 178.219 176.117 0.056 0.000 1.136 520 I CA 1.070 62.500 61.300 0.217 0.000 1.425 520 I CB -0.434 37.626 38.000 0.100 0.000 1.079 520 I HN 0.576 nan 8.210 nan 0.000 0.425 521 K N 1.791 122.118 120.400 -0.122 0.000 2.057 521 K HA -0.176 4.161 4.320 0.028 0.000 0.207 521 K C 2.311 178.890 176.600 -0.035 0.000 1.049 521 K CA 1.876 57.993 56.287 -0.283 0.000 0.931 521 K CB -0.195 32.073 32.500 -0.387 0.000 0.714 521 K HN 0.371 nan 8.250 nan 0.000 0.440 522 K N 0.007 120.417 120.400 0.018 0.000 2.097 522 K HA -0.180 4.156 4.320 0.028 0.000 0.205 522 K C 1.902 178.522 176.600 0.033 0.000 1.050 522 K CA 0.929 57.215 56.287 -0.001 0.000 0.938 522 K CB -0.112 32.359 32.500 -0.049 0.000 0.718 522 K HN 0.218 nan 8.250 nan 0.000 0.442 523 W N 2.131 123.416 121.300 -0.024 0.000 2.318 523 W HA -0.199 4.473 4.660 0.021 0.000 0.313 523 W C 1.674 178.172 176.519 -0.034 0.000 1.221 523 W CA 1.179 58.522 57.345 -0.003 0.000 1.266 523 W CB -0.646 28.882 29.460 0.114 0.000 1.150 523 W HN 0.101 nan 8.180 nan 0.000 0.496 524 L N 0.738 122.122 121.223 0.268 0.000 2.127 524 L HA -0.243 4.114 4.340 0.028 0.000 0.211 524 L C 2.168 179.104 176.870 0.109 0.000 1.089 524 L CA 1.992 56.918 54.840 0.144 0.000 0.757 524 L CB -0.944 41.181 42.059 0.110 0.000 0.899 524 L HN -0.009 nan 8.230 nan 0.000 0.434 525 S N -1.343 114.405 115.700 0.081 0.000 2.572 525 S HA 0.259 4.746 4.470 0.028 0.000 0.228 525 S C 0.583 175.170 174.600 -0.021 0.000 0.963 525 S CA -0.543 57.677 58.200 0.033 0.000 0.939 525 S CB -0.440 62.779 63.200 0.030 0.000 0.804 525 S HN 0.151 nan 8.310 nan 0.000 0.480 526 L N 1.835 123.036 121.223 -0.036 0.000 2.516 526 L HA 0.185 4.541 4.340 0.028 0.000 0.288 526 L C -2.246 174.587 176.870 -0.060 0.000 1.246 526 L CA -1.553 53.214 54.840 -0.121 0.000 0.844 526 L CB -0.514 41.432 42.059 -0.188 0.000 1.106 526 L HN 0.022 nan 8.230 nan 0.000 0.509 527 P HA -0.022 nan 4.420 nan 0.000 0.260 527 P C 0.782 178.073 177.300 -0.015 0.000 1.172 527 P CA 1.156 64.230 63.100 -0.043 0.000 0.760 527 P CB 0.557 32.227 31.700 -0.050 0.000 0.773 528 G N 1.904 110.703 108.800 -0.002 0.000 2.267 528 G HA2 -0.290 3.686 3.960 0.028 0.000 0.257 528 G HA3 -0.290 3.686 3.960 0.028 0.000 0.257 528 G C 0.339 175.255 174.900 0.027 0.000 0.998 528 G CA 0.208 45.316 45.100 0.013 0.000 0.620 528 G HN 0.627 nan 8.290 nan 0.000 0.529 529 E N 1.238 121.460 120.200 0.036 0.000 2.360 529 E HA 0.550 4.916 4.350 0.028 0.000 0.269 529 E C 1.358 177.982 176.600 0.041 0.000 1.022 529 E CA 0.943 57.377 56.400 0.057 0.000 0.887 529 E CB 0.696 30.459 29.700 0.105 0.000 0.990 529 E HN 0.604 nan 8.360 nan 0.000 0.426 530 T N 0.593 115.167 114.554 0.034 0.000 3.186 530 T HA 0.319 4.685 4.350 0.028 0.000 0.292 530 T C 0.548 175.257 174.700 0.014 0.000 0.915 530 T CA -0.500 61.614 62.100 0.024 0.000 0.902 530 T CB 0.070 68.951 68.868 0.022 0.000 1.192 530 T HN 0.253 nan 8.240 nan 0.000 0.563 531 R N 2.269 122.773 120.500 0.006 0.000 2.649 531 R HA 0.469 4.826 4.340 0.028 0.000 0.270 531 R C -2.506 173.773 176.300 -0.035 0.000 1.105 531 R CA -1.783 54.310 56.100 -0.013 0.000 1.193 531 R CB 0.066 30.352 30.300 -0.024 0.000 1.120 531 R HN 0.221 nan 8.270 nan 0.000 0.561 532 P HA 0.105 nan 4.420 nan 0.000 0.276 532 P C -1.086 176.144 177.300 -0.117 0.000 1.252 532 P CA -0.143 62.916 63.100 -0.068 0.000 0.802 532 P CB 0.704 32.364 31.700 -0.068 0.000 1.035 533 L N 2.293 123.427 121.223 -0.149 0.000 2.349 533 L HA 0.570 4.927 4.340 0.028 0.000 0.278 533 L C -1.027 175.696 176.870 -0.245 0.000 0.996 533 L CA -0.703 54.009 54.840 -0.213 0.000 0.825 533 L CB 0.603 42.527 42.059 -0.224 0.000 1.243 533 L HN 0.239 nan 8.230 nan 0.000 0.412 534 I N 5.641 126.072 120.570 -0.232 0.000 2.500 534 I HA 0.247 4.433 4.170 0.028 0.000 0.286 534 I C -0.734 175.283 176.117 -0.168 0.000 1.063 534 I CA -0.578 60.570 61.300 -0.253 0.000 1.062 534 I CB 2.017 39.930 38.000 -0.146 0.000 1.223 534 I HN 0.476 nan 8.210 nan 0.000 0.435 535 L N 5.830 126.919 121.223 -0.223 0.000 2.534 535 L HA 0.002 4.359 4.340 0.028 0.000 0.271 535 L C 1.524 178.481 176.870 0.145 0.000 1.178 535 L CA -0.056 54.732 54.840 -0.087 0.000 0.907 535 L CB 0.529 42.508 42.059 -0.133 0.000 1.164 535 L HN 0.863 nan 8.230 nan 0.000 0.482 536 C N 0.601 119.970 119.300 0.115 0.000 2.448 536 C HA 0.108 4.585 4.460 0.028 0.000 0.280 536 C C 0.639 175.789 174.990 0.268 0.000 1.398 536 C CA -0.120 59.015 59.018 0.195 0.000 1.774 536 C CB -1.064 26.703 27.740 0.046 0.000 1.888 536 C HN 0.830 nan 8.230 nan 0.000 0.519 537 E N -0.927 119.358 120.200 0.142 0.000 2.321 537 E HA 0.585 4.952 4.350 0.028 0.000 0.281 537 E C -1.356 175.169 176.600 -0.126 0.000 0.910 537 E CA -0.381 56.073 56.400 0.090 0.000 0.770 537 E CB 1.873 31.472 29.700 -0.168 0.000 1.225 537 E HN 0.671 nan 8.360 nan 0.000 0.417 538 Y N -0.793 119.465 120.300 -0.070 0.000 2.689 538 Y HA 0.645 5.213 4.550 0.030 0.000 0.333 538 Y C -0.725 175.312 175.900 0.229 0.000 1.208 538 Y CA -0.884 57.166 58.100 -0.084 0.000 1.055 538 Y CB 0.912 39.198 38.460 -0.289 0.000 1.304 538 Y HN 0.655 nan 8.280 nan 0.000 0.455 539 A N 2.113 124.961 122.820 0.046 0.000 2.136 539 A HA -0.267 4.069 4.320 0.028 0.000 0.274 539 A C -0.415 177.309 177.584 0.233 0.000 1.388 539 A CA 1.065 53.168 52.037 0.110 0.000 0.741 539 A CB -2.363 16.667 19.000 0.050 0.000 1.173 539 A HN 1.082 nan 8.150 nan 0.000 0.329 540 H N 1.096 120.347 119.070 0.303 0.000 3.253 540 H HA 0.271 4.843 4.556 0.027 0.000 0.250 540 H C 1.111 176.527 175.328 0.145 0.000 1.051 540 H CA 0.806 57.043 56.048 0.314 0.000 1.458 540 H CB 0.340 30.171 29.762 0.115 0.000 1.549 540 H HN 0.804 nan 8.280 nan 0.000 0.506 541 A N 6.609 129.343 122.820 -0.143 0.000 2.840 541 A HA 0.071 4.407 4.320 0.028 0.000 0.269 541 A C 0.853 178.313 177.584 -0.207 0.000 1.439 541 A CA -0.406 51.540 52.037 -0.152 0.000 1.083 541 A CB -0.566 18.342 19.000 -0.153 0.000 1.019 541 A HN 0.778 nan 8.150 nan 0.000 0.607 542 M N 1.388 120.833 119.600 -0.258 0.000 2.143 542 M HA 0.434 4.931 4.480 0.028 0.000 0.348 542 M C 1.053 177.200 176.300 -0.256 0.000 1.375 542 M CA 1.251 56.410 55.300 -0.236 0.000 1.124 542 M CB -0.072 32.430 32.600 -0.163 0.000 1.669 542 M HN 0.809 nan 8.290 nan 0.000 0.469 543 G N 4.306 112.929 108.800 -0.296 0.000 2.574 543 G HA2 -0.341 3.635 3.960 0.028 0.000 0.286 543 G HA3 -0.341 3.635 3.960 0.028 0.000 0.286 543 G C -0.159 174.263 174.900 -0.797 0.000 1.212 543 G CA 0.080 44.838 45.100 -0.570 0.000 0.979 543 G HN 0.831 nan 8.290 nan 0.000 0.557 544 N N 1.309 119.386 118.700 -1.038 0.000 2.549 544 N HA 0.486 5.243 4.740 0.028 0.000 0.267 544 N C 0.002 175.265 175.510 -0.413 0.000 1.182 544 N CA 1.067 53.657 53.050 -0.767 0.000 1.019 544 N CB 0.376 38.416 38.487 -0.745 0.000 1.380 544 N HN 0.782 nan 8.380 nan 0.000 0.505 545 S N 1.961 117.506 115.700 -0.259 0.000 2.911 545 S HA 0.640 5.127 4.470 0.028 0.000 0.319 545 S C -0.032 174.510 174.600 -0.098 0.000 1.154 545 S CA -0.375 57.726 58.200 -0.165 0.000 0.857 545 S CB 0.279 63.397 63.200 -0.136 0.000 1.279 545 S HN 0.373 nan 8.310 nan 0.000 0.593 546 L N 0.079 121.281 121.223 -0.035 0.000 4.639 546 L HA -0.051 4.305 4.340 0.028 0.000 0.402 546 L C 0.498 177.419 176.870 0.085 0.000 1.069 546 L CA 0.804 55.658 54.840 0.023 0.000 1.105 546 L CB -1.758 40.230 42.059 -0.119 0.000 2.122 546 L HN 0.716 nan 8.230 nan 0.000 0.662 547 G N -0.766 108.046 108.800 0.021 0.000 2.365 547 G HA2 0.479 4.456 3.960 0.028 0.000 0.249 547 G HA3 0.479 4.456 3.960 0.028 0.000 0.249 547 G C 1.215 176.149 174.900 0.057 0.000 1.288 547 G CA 0.207 45.291 45.100 -0.027 0.000 0.887 547 G HN 1.370 nan 8.290 nan 0.000 0.524 548 G N 1.612 110.432 108.800 0.033 0.000 2.143 548 G HA2 -0.320 3.657 3.960 0.028 0.000 0.249 548 G HA3 -0.320 3.657 3.960 0.028 0.000 0.249 548 G C 0.958 176.029 174.900 0.285 0.000 0.981 548 G CA 0.739 45.911 45.100 0.119 0.000 0.665 548 G HN 0.779 nan 8.290 nan 0.000 0.528 549 F N 1.680 121.748 119.950 0.197 0.000 2.126 549 F HA 0.125 4.669 4.527 0.029 0.000 0.299 549 F C 2.657 178.675 175.800 0.364 0.000 1.096 549 F CA 2.499 60.699 58.000 0.333 0.000 1.255 549 F CB -0.417 38.719 39.000 0.226 0.000 0.997 549 F HN 0.342 nan 8.300 nan 0.000 0.479 550 A N -0.399 122.606 122.820 0.309 0.000 2.019 550 A HA -0.232 4.105 4.320 0.028 0.000 0.219 550 A C 2.275 179.889 177.584 0.051 0.000 1.164 550 A CA 1.671 53.814 52.037 0.177 0.000 0.644 550 A CB -0.802 18.297 19.000 0.166 0.000 0.805 550 A HN 0.449 nan 8.150 nan 0.000 0.449 551 K N -1.653 118.755 120.400 0.013 0.000 2.147 551 K HA -0.158 4.179 4.320 0.028 0.000 0.205 551 K C 1.619 177.993 176.600 -0.378 0.000 1.049 551 K CA 1.492 57.698 56.287 -0.135 0.000 0.936 551 K CB -0.263 32.160 32.500 -0.129 0.000 0.722 551 K HN 0.626 nan 8.250 nan 0.000 0.446 552 Y N -1.043 118.977 120.300 -0.466 0.000 2.184 552 Y HA -0.215 4.351 4.550 0.026 0.000 0.290 552 Y C 1.918 176.817 175.900 -1.668 0.000 1.129 552 Y CA 1.284 58.738 58.100 -1.077 0.000 1.144 552 Y CB -0.207 37.616 38.460 -1.062 0.000 0.995 552 Y HN 0.151 nan 8.280 nan 0.000 0.513 553 W N 0.113 120.973 121.300 -0.733 0.000 2.363 553 W HA -0.217 4.461 4.660 0.031 0.000 0.296 553 W C 2.608 178.939 176.519 -0.313 0.000 1.212 553 W CA 1.522 58.565 57.345 -0.503 0.000 1.260 553 W CB -0.571 28.699 29.460 -0.316 0.000 1.131 553 W HN 0.056 nan 8.180 nan 0.000 0.530 554 Q N 0.699 120.402 119.800 -0.161 0.000 2.084 554 Q HA -0.164 4.192 4.340 0.028 0.000 0.202 554 Q C 2.217 178.157 176.000 -0.099 0.000 0.978 554 Q CA 1.990 57.745 55.803 -0.079 0.000 0.844 554 Q CB -0.577 28.132 28.738 -0.049 0.000 0.898 554 Q HN 0.270 nan 8.270 nan 0.000 0.426 555 A N 0.201 122.873 122.820 -0.247 0.000 1.877 555 A HA -0.141 4.196 4.320 0.028 0.000 0.216 555 A C 2.049 179.613 177.584 -0.033 0.000 1.186 555 A CA 1.260 53.188 52.037 -0.181 0.000 0.620 555 A CB -1.187 17.581 19.000 -0.385 0.000 0.822 555 A HN 0.480 nan 8.150 nan 0.000 0.443 556 F N -0.504 119.271 119.950 -0.292 0.000 2.120 556 F HA -0.265 4.278 4.527 0.028 0.000 0.300 556 F C 2.798 178.493 175.800 -0.174 0.000 1.095 556 F CA 1.386 59.173 58.000 -0.355 0.000 1.249 556 F CB -0.189 38.360 39.000 -0.752 0.000 0.995 556 F HN 0.161 nan 8.300 nan 0.000 0.480 557 R N -0.127 120.418 120.500 0.076 0.000 2.119 557 R HA -0.135 4.221 4.340 0.028 0.000 0.222 557 R C 2.142 178.471 176.300 0.048 0.000 1.088 557 R CA 1.009 57.140 56.100 0.052 0.000 0.984 557 R CB -0.307 30.019 30.300 0.044 0.000 0.884 557 R HN 0.373 nan 8.270 nan 0.000 0.447 558 Q N -0.484 119.372 119.800 0.094 0.000 2.212 558 Q HA -0.044 4.312 4.340 0.028 0.000 0.199 558 Q C -0.495 175.502 176.000 -0.005 0.000 0.950 558 Q CA 0.851 56.686 55.803 0.053 0.000 0.863 558 Q CB 0.407 29.200 28.738 0.091 0.000 0.944 558 Q HN 0.179 nan 8.270 nan 0.000 0.465 559 Y N 0.123 120.403 120.300 -0.034 0.000 2.331 559 Y HA 0.269 4.834 4.550 0.025 0.000 0.338 559 Y C -1.782 174.091 175.900 -0.044 0.000 0.976 559 Y CA -2.682 55.398 58.100 -0.033 0.000 1.137 559 Y CB 1.615 40.061 38.460 -0.023 0.000 1.172 559 Y HN 0.106 nan 8.280 nan 0.000 0.478 560 P HA -0.137 nan 4.420 nan 0.000 0.215 560 P C 1.075 178.378 177.300 0.005 0.000 1.157 560 P CA 1.718 64.822 63.100 0.006 0.000 0.868 560 P CB 0.305 31.991 31.700 -0.025 0.000 0.788 561 R N -1.036 119.486 120.500 0.036 0.000 2.339 561 R HA 0.090 4.446 4.340 0.028 0.000 0.199 561 R C 0.422 176.699 176.300 -0.038 0.000 1.018 561 R CA 0.147 56.247 56.100 -0.001 0.000 1.036 561 R CB -0.538 29.773 30.300 0.019 0.000 0.899 561 R HN 0.249 nan 8.270 nan 0.000 0.473 562 L N 1.848 123.066 121.223 -0.009 0.000 2.302 562 L HA 0.134 4.490 4.340 0.028 0.000 0.285 562 L C 0.609 177.327 176.870 -0.253 0.000 1.090 562 L CA 0.095 54.877 54.840 -0.097 0.000 0.866 562 L CB 1.170 43.246 42.059 0.028 0.000 1.244 562 L HN 0.069 nan 8.230 nan 0.000 0.435 563 Q N 2.672 122.248 119.800 -0.373 0.000 2.222 563 Q HA 0.300 4.656 4.340 0.028 0.000 0.206 563 Q C 0.875 176.452 176.000 -0.705 0.000 0.877 563 Q CA 0.140 55.687 55.803 -0.427 0.000 0.958 563 Q CB 0.906 29.489 28.738 -0.257 0.000 1.075 563 Q HN 0.944 nan 8.270 nan 0.000 0.483 564 G N -0.364 107.634 108.800 -1.336 0.000 2.416 564 G HA2 0.133 4.110 3.960 0.028 0.000 0.203 564 G HA3 0.133 4.110 3.960 0.028 0.000 0.203 564 G C -0.368 173.670 174.900 -1.436 0.000 1.227 564 G CA -0.769 43.208 45.100 -1.871 0.000 1.041 564 G HN 0.552 nan 8.290 nan 0.000 0.546 565 G N -2.158 106.076 108.800 -0.943 0.000 2.356 565 G HA2 0.637 4.614 3.960 0.028 0.000 0.294 565 G HA3 0.637 4.614 3.960 0.028 0.000 0.294 565 G C -1.823 172.937 174.900 -0.232 0.000 1.423 565 G CA -0.351 44.413 45.100 -0.561 0.000 0.806 565 G HN 1.116 nan 8.290 nan 0.000 0.527 566 F N 0.886 121.085 119.950 0.414 0.000 2.382 566 F HA 0.493 5.035 4.527 0.026 0.000 0.361 566 F C 0.820 176.888 175.800 0.447 0.000 1.109 566 F CA -0.715 57.533 58.000 0.414 0.000 1.031 566 F CB 1.950 41.098 39.000 0.247 0.000 1.234 566 F HN 0.249 nan 8.300 nan 0.000 0.445 567 V N 3.418 123.615 119.914 0.472 0.000 2.872 567 V HA -0.152 3.985 4.120 0.028 0.000 0.307 567 V C -0.192 176.043 176.094 0.235 0.000 1.072 567 V CA -0.163 62.203 62.300 0.110 0.000 1.148 567 V CB 0.785 32.699 31.823 0.152 0.000 0.954 567 V HN 0.754 nan 8.190 nan 0.000 0.490 568 W N 6.487 127.860 121.300 0.122 0.000 2.278 568 W HA 0.449 5.125 4.660 0.027 0.000 0.317 568 W C -0.785 175.770 176.519 0.059 0.000 1.030 568 W CA -0.622 56.845 57.345 0.203 0.000 1.334 568 W CB 1.228 30.981 29.460 0.488 0.000 1.215 568 W HN 0.922 nan 8.180 nan 0.000 0.405 569 D N 2.663 122.791 120.400 -0.453 0.000 2.825 569 D HA 0.074 4.731 4.640 0.028 0.000 0.327 569 D C 0.629 176.729 176.300 -0.335 0.000 1.277 569 D CA -0.554 53.055 54.000 -0.652 0.000 0.950 569 D CB 0.165 39.968 40.800 -1.662 0.000 1.438 569 D HN 0.400 nan 8.370 nan 0.000 0.526 570 W N 0.312 121.313 121.300 -0.499 0.000 2.352 570 W HA 0.067 4.744 4.660 0.028 0.000 0.322 570 W C 0.187 176.496 176.519 -0.350 0.000 1.208 570 W CA 1.514 58.619 57.345 -0.400 0.000 1.286 570 W CB 0.256 29.502 29.460 -0.356 0.000 1.167 570 W HN 0.172 nan 8.180 nan 0.000 0.469 571 V N 2.112 121.780 119.914 -0.410 0.000 2.735 571 V HA 0.250 4.387 4.120 0.028 0.000 0.310 571 V C -0.779 175.132 176.094 -0.306 0.000 1.061 571 V CA -0.875 61.144 62.300 -0.469 0.000 0.913 571 V CB 1.561 33.200 31.823 -0.306 0.000 1.005 571 V HN -0.085 nan 8.190 nan 0.000 0.428 572 D N 3.644 123.874 120.400 -0.284 0.000 2.443 572 D HA 0.126 4.782 4.640 0.028 0.000 0.239 572 D C 0.208 176.373 176.300 -0.225 0.000 1.136 572 D CA 0.568 54.459 54.000 -0.181 0.000 0.879 572 D CB 0.894 41.669 40.800 -0.040 0.000 1.195 572 D HN 0.626 nan 8.370 nan 0.000 0.443 573 Q N 0.771 120.373 119.800 -0.330 0.000 2.823 573 Q HA 0.121 4.478 4.340 0.028 0.000 0.370 573 Q C -0.142 175.778 176.000 -0.133 0.000 1.110 573 Q CA -0.349 55.011 55.803 -0.738 0.000 0.990 573 Q CB 0.143 28.557 28.738 -0.541 0.000 1.383 573 Q HN 0.371 nan 8.270 nan 0.000 0.430 574 S N -0.404 115.354 115.700 0.096 0.000 2.610 574 S HA 0.564 5.051 4.470 0.028 0.000 0.273 574 S C -0.087 174.699 174.600 0.310 0.000 1.274 574 S CA -0.704 57.669 58.200 0.288 0.000 1.023 574 S CB 1.328 64.679 63.200 0.251 0.000 0.962 574 S HN 0.317 nan 8.310 nan 0.000 0.523 575 L N 1.994 123.325 121.223 0.179 0.000 2.342 575 L HA 0.529 4.886 4.340 0.028 0.000 0.271 575 L C -0.392 176.388 176.870 -0.151 0.000 1.008 575 L CA -1.206 53.619 54.840 -0.024 0.000 0.818 575 L CB 1.524 43.463 42.059 -0.199 0.000 1.296 575 L HN 0.561 nan 8.230 nan 0.000 0.427 576 I N 2.394 122.819 120.570 -0.241 0.000 2.428 576 I HA 0.282 4.469 4.170 0.028 0.000 0.289 576 I C 0.143 175.863 176.117 -0.662 0.000 1.019 576 I CA -0.118 60.908 61.300 -0.456 0.000 1.351 576 I CB 1.215 38.954 38.000 -0.435 0.000 1.412 576 I HN 0.564 nan 8.210 nan 0.000 0.513 577 K N 5.469 125.200 120.400 -1.115 0.000 2.350 577 K HA 0.545 4.882 4.320 0.028 0.000 0.241 577 K C -1.591 174.243 176.600 -1.276 0.000 0.994 577 K CA -0.749 54.802 56.287 -1.227 0.000 0.839 577 K CB 2.328 33.803 32.500 -1.707 0.000 1.244 577 K HN 0.235 nan 8.250 nan 0.000 0.443 578 Y N 0.884 120.999 120.300 -0.307 0.000 2.364 578 Y HA 0.116 4.683 4.550 0.028 0.000 0.340 578 Y C 0.385 176.382 175.900 0.162 0.000 0.975 578 Y CA -1.149 56.928 58.100 -0.038 0.000 1.089 578 Y CB 1.104 39.549 38.460 -0.024 0.000 1.192 578 Y HN 0.663 nan 8.280 nan 0.000 0.454 579 D N 0.685 121.329 120.400 0.407 0.000 2.414 579 D HA 0.008 4.665 4.640 0.028 0.000 0.259 579 D C 0.603 177.012 176.300 0.182 0.000 1.269 579 D CA -0.328 53.855 54.000 0.305 0.000 1.028 579 D CB 0.655 41.580 40.800 0.209 0.000 1.093 579 D HN 0.675 nan 8.370 nan 0.000 0.545 580 E N -0.351 119.916 120.200 0.111 0.000 2.160 580 E HA -0.214 4.152 4.350 0.028 0.000 0.195 580 E C 0.936 177.576 176.600 0.066 0.000 0.991 580 E CA 1.383 57.826 56.400 0.072 0.000 0.810 580 E CB -0.548 29.175 29.700 0.039 0.000 0.742 580 E HN 0.420 nan 8.360 nan 0.000 0.466 581 N N 0.336 119.081 118.700 0.075 0.000 2.383 581 N HA 0.092 4.849 4.740 0.028 0.000 0.192 581 N C 0.912 176.467 175.510 0.074 0.000 1.141 581 N CA 0.781 53.867 53.050 0.061 0.000 0.851 581 N CB 0.880 39.397 38.487 0.051 0.000 0.976 581 N HN 0.362 nan 8.380 nan 0.000 0.465 582 G N 0.825 109.693 108.800 0.114 0.000 2.143 582 G HA2 -0.261 3.716 3.960 0.028 0.000 0.248 582 G HA3 -0.261 3.716 3.960 0.028 0.000 0.248 582 G C -0.391 174.654 174.900 0.242 0.000 0.991 582 G CA -0.394 44.776 45.100 0.116 0.000 0.689 582 G HN 0.330 nan 8.290 nan 0.000 0.522 583 N N 1.940 120.791 118.700 0.252 0.000 2.458 583 N HA 0.375 5.132 4.740 0.028 0.000 0.270 583 N C -2.373 173.329 175.510 0.320 0.000 1.102 583 N CA -0.983 52.223 53.050 0.259 0.000 0.967 583 N CB 1.716 40.307 38.487 0.174 0.000 1.078 583 N HN 0.223 nan 8.380 nan 0.000 0.471 584 P HA 0.205 nan 4.420 nan 0.000 0.275 584 P C -0.519 176.750 177.300 -0.052 0.000 1.227 584 P CA -0.265 62.725 63.100 -0.183 0.000 0.781 584 P CB 0.614 32.215 31.700 -0.165 0.000 0.906 585 W N 0.055 121.125 121.300 -0.384 0.000 3.127 585 W HA 0.381 5.057 4.660 0.028 0.000 0.330 585 W C -1.342 174.994 176.519 -0.305 0.000 1.187 585 W CA -1.124 56.009 57.345 -0.353 0.000 1.198 585 W CB 0.345 29.427 29.460 -0.630 0.000 1.408 585 W HN 0.123 nan 8.180 nan 0.000 0.529 586 S N 1.970 117.717 115.700 0.078 0.000 2.466 586 S HA 0.451 4.937 4.470 0.028 0.000 0.286 586 S C 0.355 175.092 174.600 0.227 0.000 1.221 586 S CA 0.025 58.276 58.200 0.085 0.000 1.091 586 S CB 0.220 63.539 63.200 0.198 0.000 0.956 586 S HN 0.574 nan 8.310 nan 0.000 0.501 587 A N 3.443 126.231 122.820 -0.054 0.000 2.294 587 A HA 0.864 5.200 4.320 0.028 0.000 0.330 587 A C -0.508 177.332 177.584 0.427 0.000 1.133 587 A CA -0.707 51.359 52.037 0.049 0.000 0.836 587 A CB 0.605 19.304 19.000 -0.502 0.000 1.190 587 A HN 0.845 nan 8.150 nan 0.000 0.492 588 Y N -0.990 119.595 120.300 0.476 0.000 3.068 588 Y HA 0.754 5.320 4.550 0.028 0.000 0.302 588 Y C 0.651 176.885 175.900 0.557 0.000 1.610 588 Y CA -1.278 57.110 58.100 0.480 0.000 1.078 588 Y CB -0.051 38.537 38.460 0.212 0.000 1.418 588 Y HN 0.924 nan 8.280 nan 0.000 0.525 589 G N -0.017 109.202 108.800 0.698 0.000 2.224 589 G HA2 0.357 4.334 3.960 0.028 0.000 0.239 589 G HA3 0.357 4.334 3.960 0.028 0.000 0.239 589 G C 0.983 176.208 174.900 0.542 0.000 1.240 589 G CA 0.521 45.954 45.100 0.554 0.000 0.896 589 G HN 1.996 nan 8.290 nan 0.000 0.496 590 G N 2.321 111.395 108.800 0.457 0.000 2.284 590 G HA2 -0.301 3.676 3.960 0.028 0.000 0.247 590 G HA3 -0.301 3.676 3.960 0.028 0.000 0.247 590 G C 0.969 176.038 174.900 0.281 0.000 1.012 590 G CA 0.723 46.026 45.100 0.338 0.000 0.618 590 G HN 0.648 nan 8.290 nan 0.000 0.521 591 D N -0.109 120.450 120.400 0.264 0.000 2.351 591 D HA 0.051 4.707 4.640 0.028 0.000 0.216 591 D C 1.433 177.523 176.300 -0.349 0.000 0.968 591 D CA 0.684 54.666 54.000 -0.029 0.000 0.899 591 D CB -0.207 40.538 40.800 -0.092 0.000 0.907 591 D HN 0.504 nan 8.370 nan 0.000 0.514 592 F N -0.802 119.277 119.950 0.214 0.000 2.639 592 F HA 0.305 4.849 4.527 0.028 0.000 0.302 592 F C 1.826 177.712 175.800 0.142 0.000 1.097 592 F CA -0.060 58.022 58.000 0.137 0.000 1.294 592 F CB 0.813 39.895 39.000 0.136 0.000 1.027 592 F HN -0.030 nan 8.300 nan 0.000 0.550 593 G N 0.221 109.162 108.800 0.236 0.000 2.176 593 G HA2 -0.279 3.698 3.960 0.028 0.000 0.253 593 G HA3 -0.279 3.698 3.960 0.028 0.000 0.253 593 G C -0.128 174.909 174.900 0.229 0.000 0.979 593 G CA 0.103 45.320 45.100 0.196 0.000 0.641 593 G HN 0.408 nan 8.290 nan 0.000 0.530 594 D N 0.555 121.145 120.400 0.316 0.000 2.450 594 D HA 0.451 5.108 4.640 0.028 0.000 0.247 594 D C 0.110 176.538 176.300 0.212 0.000 1.162 594 D CA 1.211 55.389 54.000 0.296 0.000 0.879 594 D CB 1.449 42.495 40.800 0.409 0.000 1.163 594 D HN 0.426 nan 8.370 nan 0.000 0.472 595 T N 1.322 115.972 114.554 0.159 0.000 3.159 595 T HA 0.385 4.752 4.350 0.028 0.000 0.343 595 T C -2.805 171.942 174.700 0.078 0.000 1.364 595 T CA -1.104 61.061 62.100 0.109 0.000 1.102 595 T CB 1.220 70.150 68.868 0.105 0.000 1.263 595 T HN 0.279 nan 8.240 nan 0.000 0.477 596 P HA 0.562 nan 4.420 nan 0.000 0.274 596 P C -0.925 176.380 177.300 0.007 0.000 1.256 596 P CA -0.383 62.730 63.100 0.022 0.000 0.795 596 P CB 0.422 32.112 31.700 -0.016 0.000 1.038 597 N N -2.129 116.570 118.700 -0.002 0.000 2.934 597 N HA 0.263 5.019 4.740 0.028 0.000 0.253 597 N C -0.977 174.489 175.510 -0.073 0.000 1.466 597 N CA -0.754 52.267 53.050 -0.048 0.000 0.858 597 N CB 0.491 39.038 38.487 0.100 0.000 1.459 597 N HN 0.072 nan 8.380 nan 0.000 0.532 598 D N -0.527 119.776 120.400 -0.161 0.000 2.463 598 D HA 0.106 4.762 4.640 0.028 0.000 0.224 598 D C 0.610 177.136 176.300 0.376 0.000 1.174 598 D CA -0.079 53.914 54.000 -0.012 0.000 0.829 598 D CB 0.069 40.702 40.800 -0.278 0.000 0.993 598 D HN 0.711 nan 8.370 nan 0.000 0.497 599 R N 1.078 121.790 120.500 0.354 0.000 3.793 599 R HA -0.327 4.030 4.340 0.028 0.000 0.464 599 R C 1.090 177.447 176.300 0.095 0.000 0.241 599 R CA 1.656 57.964 56.100 0.347 0.000 1.464 599 R CB -1.652 28.783 30.300 0.225 0.000 0.954 599 R HN 0.172 nan 8.270 nan 0.000 0.583 600 Q N 1.513 121.063 119.800 -0.417 0.000 2.444 600 Q HA 0.025 4.382 4.340 0.028 0.000 0.206 600 Q C 1.575 177.283 176.000 -0.486 0.000 0.948 600 Q CA 1.135 56.477 55.803 -0.767 0.000 0.946 600 Q CB 0.085 28.138 28.738 -1.143 0.000 1.027 600 Q HN 0.617 nan 8.270 nan 0.000 0.513 601 F N 1.496 121.379 119.950 -0.112 0.000 2.494 601 F HA -0.117 4.427 4.527 0.028 0.000 0.298 601 F C 2.195 177.949 175.800 -0.076 0.000 1.106 601 F CA 1.016 59.026 58.000 0.016 0.000 1.452 601 F CB -0.061 39.028 39.000 0.148 0.000 1.085 601 F HN 0.426 nan 8.300 nan 0.000 0.569 602 C N -1.180 117.852 119.300 -0.446 0.000 2.576 602 C HA 0.255 4.732 4.460 0.028 0.000 0.267 602 C C 0.920 175.716 174.990 -0.323 0.000 1.364 602 C CA -0.498 58.069 59.018 -0.752 0.000 1.723 602 C CB -1.740 24.905 27.740 -1.825 0.000 1.778 602 C HN 0.210 nan 8.230 nan 0.000 0.572 603 M N 2.537 122.006 119.600 -0.219 0.000 2.065 603 M HA 0.292 4.788 4.480 0.028 0.000 0.332 603 M C -0.385 175.836 176.300 -0.132 0.000 0.988 603 M CA 0.267 55.479 55.300 -0.148 0.000 0.944 603 M CB 0.130 32.665 32.600 -0.108 0.000 1.357 603 M HN 0.344 nan 8.290 nan 0.000 0.388 604 N N 0.510 119.142 118.700 -0.113 0.000 2.240 604 N HA 0.203 4.960 4.740 0.028 0.000 0.240 604 N C 0.397 175.761 175.510 -0.244 0.000 1.277 604 N CA -0.531 52.422 53.050 -0.161 0.000 0.873 604 N CB 1.209 39.699 38.487 0.005 0.000 1.222 604 N HN 0.622 nan 8.380 nan 0.000 0.507 605 G N -0.048 108.578 108.800 -0.290 0.000 2.528 605 G HA2 0.354 4.330 3.960 0.028 0.000 0.289 605 G HA3 0.354 4.330 3.960 0.028 0.000 0.289 605 G C 0.662 175.211 174.900 -0.585 0.000 1.192 605 G CA -0.577 44.256 45.100 -0.444 0.000 0.921 605 G HN 0.093 nan 8.290 nan 0.000 0.512 606 L N -0.425 120.414 121.223 -0.641 0.000 2.395 606 L HA 0.117 4.474 4.340 0.028 0.000 0.218 606 L C 0.820 177.097 176.870 -0.988 0.000 1.130 606 L CA 0.395 54.848 54.840 -0.645 0.000 0.826 606 L CB -0.317 41.469 42.059 -0.454 0.000 0.941 606 L HN 0.371 nan 8.230 nan 0.000 0.451 607 V N -5.198 113.989 119.914 -1.212 0.000 3.007 607 V HA 0.457 4.594 4.120 0.028 0.000 0.311 607 V C -0.301 175.236 176.094 -0.928 0.000 1.120 607 V CA -1.274 60.386 62.300 -1.067 0.000 0.980 607 V CB 1.685 32.978 31.823 -0.885 0.000 1.033 607 V HN -0.131 nan 8.190 nan 0.000 0.429 608 F N 1.799 121.468 119.950 -0.469 0.000 2.485 608 F HA 0.527 5.071 4.527 0.028 0.000 0.327 608 F C 1.973 177.664 175.800 -0.182 0.000 1.203 608 F CA 0.642 58.547 58.000 -0.158 0.000 1.295 608 F CB 0.936 39.917 39.000 -0.031 0.000 1.191 608 F HN 0.806 nan 8.300 nan 0.000 0.588 609 A N 0.794 123.695 122.820 0.135 0.000 2.024 609 A HA -0.226 4.111 4.320 0.028 0.000 0.220 609 A C 1.660 179.220 177.584 -0.040 0.000 1.164 609 A CA 1.853 53.923 52.037 0.055 0.000 0.643 609 A CB -0.933 18.145 19.000 0.129 0.000 0.806 609 A HN 0.799 nan 8.150 nan 0.000 0.451 610 D N -2.951 117.440 120.400 -0.014 0.000 2.340 610 D HA 0.105 4.762 4.640 0.028 0.000 0.220 610 D C 0.737 177.010 176.300 -0.046 0.000 1.039 610 D CA 0.142 54.102 54.000 -0.067 0.000 0.866 610 D CB -0.079 40.683 40.800 -0.063 0.000 0.913 610 D HN 0.234 nan 8.370 nan 0.000 0.523 611 R N -1.938 118.532 120.500 -0.051 0.000 3.584 611 R HA -0.113 4.243 4.340 0.028 0.000 0.488 611 R C -0.223 176.055 176.300 -0.037 0.000 0.869 611 R CA 1.127 57.186 56.100 -0.068 0.000 1.325 611 R CB -3.099 27.198 30.300 -0.004 0.000 2.015 611 R HN 0.243 nan 8.270 nan 0.000 0.489 612 T N 2.876 117.452 114.554 0.036 0.000 2.901 612 T HA 0.353 4.720 4.350 0.028 0.000 0.301 612 T C -2.315 172.454 174.700 0.114 0.000 1.012 612 T CA -0.733 61.419 62.100 0.087 0.000 1.135 612 T CB 0.997 69.930 68.868 0.109 0.000 0.936 612 T HN -0.088 nan 8.240 nan 0.000 0.539 613 P HA 0.237 nan 4.420 nan 0.000 0.275 613 P C -0.284 177.019 177.300 0.005 0.000 1.228 613 P CA -0.295 62.767 63.100 -0.064 0.000 0.786 613 P CB 0.470 32.149 31.700 -0.035 0.000 0.927 614 H N 2.110 121.002 119.070 -0.296 0.000 2.499 614 H HA 0.177 4.750 4.556 0.028 0.000 0.352 614 H C -1.250 173.969 175.328 -0.182 0.000 1.237 614 H CA -2.023 53.815 56.048 -0.350 0.000 1.343 614 H CB 0.380 29.884 29.762 -0.430 0.000 1.578 614 H HN 0.310 nan 8.280 nan 0.000 0.577 615 P HA -0.152 nan 4.420 nan 0.000 0.218 615 P C 1.089 178.385 177.300 -0.007 0.000 1.149 615 P CA 1.424 64.512 63.100 -0.019 0.000 0.817 615 P CB -0.017 31.669 31.700 -0.025 0.000 0.785 616 A N -0.423 122.395 122.820 -0.004 0.000 2.070 616 A HA -0.166 4.171 4.320 0.028 0.000 0.220 616 A C 2.056 179.585 177.584 -0.091 0.000 1.159 616 A CA 1.108 53.111 52.037 -0.057 0.000 0.656 616 A CB -1.590 17.358 19.000 -0.088 0.000 0.800 616 A HN 0.152 nan 8.150 nan 0.000 0.453 617 L N -0.392 120.792 121.223 -0.065 0.000 2.079 617 L HA -0.146 4.210 4.340 0.028 0.000 0.210 617 L C 2.496 179.396 176.870 0.050 0.000 1.081 617 L CA 2.775 57.607 54.840 -0.013 0.000 0.752 617 L CB -1.126 40.915 42.059 -0.030 0.000 0.896 617 L HN 0.390 nan 8.230 nan 0.000 0.433 618 T N -1.663 112.927 114.554 0.061 0.000 2.821 618 T HA -0.202 4.165 4.350 0.028 0.000 0.267 618 T C 1.808 176.606 174.700 0.163 0.000 1.046 618 T CA 1.440 63.630 62.100 0.149 0.000 1.139 618 T CB -0.137 68.797 68.868 0.111 0.000 0.871 618 T HN 0.485 nan 8.240 nan 0.000 0.454 619 E N 1.029 121.266 120.200 0.061 0.000 2.058 619 E HA 0.001 4.368 4.350 0.028 0.000 0.194 619 E C 2.225 178.810 176.600 -0.025 0.000 0.997 619 E CA 1.630 58.060 56.400 0.050 0.000 0.801 619 E CB -0.773 28.920 29.700 -0.013 0.000 0.746 619 E HN 0.533 nan 8.360 nan 0.000 0.450 620 A N 0.907 123.594 122.820 -0.223 0.000 1.902 620 A HA -0.234 4.102 4.320 0.028 0.000 0.217 620 A C 2.183 179.626 177.584 -0.234 0.000 1.181 620 A CA 1.952 53.790 52.037 -0.332 0.000 0.623 620 A CB -0.645 18.160 19.000 -0.325 0.000 0.818 620 A HN 0.268 nan 8.150 nan 0.000 0.443 621 K N -1.236 119.114 120.400 -0.084 0.000 2.044 621 K HA -0.295 4.042 4.320 0.028 0.000 0.210 621 K C 2.095 178.608 176.600 -0.145 0.000 1.049 621 K CA 2.080 58.344 56.287 -0.037 0.000 0.927 621 K CB -0.349 32.279 32.500 0.212 0.000 0.713 621 K HN 0.659 nan 8.250 nan 0.000 0.443 622 H N 0.399 119.297 119.070 -0.287 0.000 2.357 622 H HA -0.029 4.544 4.556 0.028 0.000 0.301 622 H C 2.023 177.077 175.328 -0.457 0.000 1.082 622 H CA 1.709 57.391 56.048 -0.610 0.000 1.342 622 H CB 0.047 29.445 29.762 -0.608 0.000 1.389 622 H HN 0.226 nan 8.280 nan 0.000 0.511 623 Q N 0.360 119.872 119.800 -0.481 0.000 2.170 623 Q HA -0.117 4.240 4.340 0.028 0.000 0.203 623 Q C 1.670 177.157 176.000 -0.855 0.000 0.976 623 Q CA 1.365 56.831 55.803 -0.561 0.000 0.858 623 Q CB -0.073 28.479 28.738 -0.309 0.000 0.907 623 Q HN 0.706 nan 8.270 nan 0.000 0.433 624 Q N 0.210 119.435 119.800 -0.958 0.000 2.322 624 Q HA 0.063 4.419 4.340 0.028 0.000 0.203 624 Q C -0.083 175.388 176.000 -0.882 0.000 0.923 624 Q CA -0.211 54.898 55.803 -1.156 0.000 0.949 624 Q CB 0.280 28.347 28.738 -1.117 0.000 1.039 624 Q HN 0.376 nan 8.270 nan 0.000 0.496 625 Q N -0.487 118.946 119.800 -0.612 0.000 2.428 625 Q HA -0.034 4.323 4.340 0.028 0.000 0.276 625 Q C -0.129 175.565 176.000 -0.509 0.000 1.059 625 Q CA 0.355 55.943 55.803 -0.359 0.000 0.923 625 Q CB 0.463 29.080 28.738 -0.202 0.000 1.283 625 Q HN 0.298 nan 8.270 nan 0.000 0.447 626 F N 0.241 120.037 119.950 -0.256 0.000 2.727 626 F HA 0.218 4.761 4.527 0.027 0.000 0.302 626 F C -0.129 175.168 175.800 -0.837 0.000 1.097 626 F CA -0.023 57.599 58.000 -0.630 0.000 1.330 626 F CB 0.498 38.842 39.000 -1.094 0.000 1.084 626 F HN 0.304 nan 8.300 nan 0.000 0.578 627 F N 0.388 120.265 119.950 -0.121 0.000 2.520 627 F HA 0.507 5.052 4.527 0.029 0.000 0.322 627 F C -0.074 175.401 175.800 -0.542 0.000 1.103 627 F CA -1.048 56.776 58.000 -0.294 0.000 0.926 627 F CB 1.323 40.159 39.000 -0.273 0.000 1.154 627 F HN -0.321 nan 8.300 nan 0.000 0.453 628 Q N 3.166 122.703 119.800 -0.437 0.000 2.342 628 Q HA 0.551 4.908 4.340 0.028 0.000 0.267 628 Q C -1.376 174.319 176.000 -0.509 0.000 1.038 628 Q CA -0.599 54.983 55.803 -0.368 0.000 0.832 628 Q CB 2.777 31.421 28.738 -0.158 0.000 1.323 628 Q HN 0.511 nan 8.270 nan 0.000 0.448 629 F N 0.351 120.437 119.950 0.227 0.000 2.577 629 F HA 0.640 5.184 4.527 0.029 0.000 0.318 629 F C 0.376 176.413 175.800 0.396 0.000 1.065 629 F CA -0.874 57.331 58.000 0.341 0.000 0.929 629 F CB 1.928 41.268 39.000 0.566 0.000 1.237 629 F HN 0.153 nan 8.300 nan 0.000 0.468 630 R N 1.311 122.110 120.500 0.499 0.000 2.740 630 R HA 0.719 5.076 4.340 0.028 0.000 0.273 630 R C -2.102 174.237 176.300 0.065 0.000 0.998 630 R CA -1.220 55.082 56.100 0.337 0.000 0.900 630 R CB 2.992 33.401 30.300 0.181 0.000 1.223 630 R HN 0.551 nan 8.270 nan 0.000 0.466 631 L N 0.809 121.947 121.223 -0.142 0.000 2.362 631 L HA 0.572 4.928 4.340 0.028 0.000 0.275 631 L C -1.077 175.646 176.870 -0.246 0.000 0.998 631 L CA -0.022 54.542 54.840 -0.459 0.000 0.820 631 L CB 2.112 43.499 42.059 -1.120 0.000 1.270 631 L HN 0.619 nan 8.230 nan 0.000 0.415 632 S N 4.155 119.733 115.700 -0.203 0.000 2.775 632 S HA 0.734 5.221 4.470 0.028 0.000 0.277 632 S C 0.131 174.646 174.600 -0.143 0.000 1.156 632 S CA 0.352 58.473 58.200 -0.132 0.000 1.081 632 S CB 0.268 63.422 63.200 -0.077 0.000 1.054 632 S HN 1.815 nan 8.310 nan 0.000 0.482 633 G N 4.956 113.670 108.800 -0.142 0.000 2.523 633 G HA2 -0.305 3.672 3.960 0.028 0.000 0.271 633 G HA3 -0.305 3.672 3.960 0.028 0.000 0.271 633 G C 0.111 174.904 174.900 -0.179 0.000 1.146 633 G CA 0.694 45.713 45.100 -0.134 0.000 0.961 633 G HN 1.147 nan 8.290 nan 0.000 0.549 634 Q N 0.372 120.070 119.800 -0.170 0.000 2.220 634 Q HA 0.483 4.839 4.340 0.028 0.000 0.205 634 Q C 0.628 176.498 176.000 -0.217 0.000 0.865 634 Q CA 0.801 56.480 55.803 -0.207 0.000 0.960 634 Q CB 0.059 28.696 28.738 -0.169 0.000 1.097 634 Q HN 0.483 nan 8.270 nan 0.000 0.493 635 T N 1.369 115.807 114.554 -0.195 0.000 2.772 635 T HA 0.595 4.961 4.350 0.028 0.000 0.288 635 T C -0.479 174.112 174.700 -0.182 0.000 0.994 635 T CA -0.461 61.541 62.100 -0.164 0.000 0.951 635 T CB 0.549 69.355 68.868 -0.104 0.000 0.933 635 T HN 0.159 nan 8.240 nan 0.000 0.447 636 I N 3.131 123.607 120.570 -0.156 0.000 2.331 636 I HA 0.319 4.506 4.170 0.028 0.000 0.292 636 I C 0.576 176.712 176.117 0.032 0.000 0.998 636 I CA -0.447 60.797 61.300 -0.094 0.000 1.267 636 I CB 1.140 39.113 38.000 -0.044 0.000 1.386 636 I HN 0.499 nan 8.210 nan 0.000 0.476 637 E N 6.526 126.775 120.200 0.082 0.000 2.113 637 E HA 0.421 4.788 4.350 0.028 0.000 0.273 637 E C -1.515 175.192 176.600 0.179 0.000 0.924 637 E CA -0.604 55.859 56.400 0.105 0.000 0.764 637 E CB 1.514 31.258 29.700 0.073 0.000 1.104 637 E HN 0.348 nan 8.360 nan 0.000 0.406 638 V N 4.222 124.234 119.914 0.163 0.000 2.394 638 V HA 0.320 4.456 4.120 0.028 0.000 0.282 638 V C 0.056 176.190 176.094 0.067 0.000 1.031 638 V CA -0.438 61.931 62.300 0.116 0.000 0.881 638 V CB 1.649 33.594 31.823 0.203 0.000 0.982 638 V HN 0.695 nan 8.190 nan 0.000 0.451 639 T N 3.302 117.845 114.554 -0.020 0.000 2.856 639 T HA 0.389 4.755 4.350 0.028 0.000 0.283 639 T C -0.112 174.550 174.700 -0.064 0.000 1.008 639 T CA -0.322 61.764 62.100 -0.022 0.000 0.997 639 T CB 1.679 70.511 68.868 -0.059 0.000 0.992 639 T HN 0.675 nan 8.240 nan 0.000 0.454 640 S N 1.243 116.890 115.700 -0.087 0.000 2.508 640 S HA 0.253 4.740 4.470 0.028 0.000 0.284 640 S C 0.655 175.072 174.600 -0.305 0.000 1.192 640 S CA -0.587 57.441 58.200 -0.287 0.000 1.070 640 S CB 0.682 63.795 63.200 -0.145 0.000 1.004 640 S HN 0.719 nan 8.310 nan 0.000 0.493 641 E N 2.686 122.609 120.200 -0.463 0.000 2.465 641 E HA 0.101 4.468 4.350 0.028 0.000 0.195 641 E C -0.789 175.598 176.600 -0.354 0.000 1.028 641 E CA -0.119 56.069 56.400 -0.354 0.000 0.899 641 E CB 0.282 29.772 29.700 -0.350 0.000 1.032 641 E HN 0.673 nan 8.360 nan 0.000 0.468 642 Y N 0.346 120.509 120.300 -0.228 0.000 2.397 642 Y HA -0.004 4.563 4.550 0.028 0.000 0.335 642 Y C 1.420 177.146 175.900 -0.290 0.000 1.213 642 Y CA 0.124 58.097 58.100 -0.211 0.000 1.391 642 Y CB 0.767 39.092 38.460 -0.225 0.000 1.293 642 Y HN -0.021 nan 8.280 nan 0.000 0.557 643 L N 1.185 122.250 121.223 -0.264 0.000 2.470 643 L HA 0.059 4.415 4.340 0.028 0.000 0.219 643 L C 0.751 177.208 176.870 -0.688 0.000 1.071 643 L CA 0.479 54.928 54.840 -0.652 0.000 0.850 643 L CB 0.023 41.335 42.059 -1.246 0.000 1.040 643 L HN 0.634 nan 8.230 nan 0.000 0.475 644 F N -0.173 119.797 119.950 0.034 0.000 2.557 644 F HA 0.203 4.746 4.527 0.026 0.000 0.278 644 F C 1.370 177.157 175.800 -0.021 0.000 1.051 644 F CA -0.723 57.270 58.000 -0.011 0.000 1.357 644 F CB 0.144 39.121 39.000 -0.038 0.000 1.104 644 F HN -0.143 nan 8.300 nan 0.000 0.654 645 R N 0.319 120.854 120.500 0.058 0.000 2.643 645 R HA 0.374 4.730 4.340 0.028 0.000 0.272 645 R C -0.547 175.732 176.300 -0.036 0.000 0.995 645 R CA -0.651 55.441 56.100 -0.013 0.000 1.032 645 R CB 0.627 30.817 30.300 -0.184 0.000 1.126 645 R HN 0.105 nan 8.270 nan 0.000 0.505 646 H N 0.395 119.452 119.070 -0.023 0.000 2.607 646 H HA 0.027 4.600 4.556 0.028 0.000 0.367 646 H C 0.179 175.530 175.328 0.038 0.000 1.181 646 H CA 0.384 56.452 56.048 0.033 0.000 1.402 646 H CB 1.514 31.301 29.762 0.042 0.000 1.474 646 H HN 0.755 nan 8.280 nan 0.000 0.596 647 S N 1.112 116.957 115.700 0.241 0.000 4.120 647 S HA -0.051 4.436 4.470 0.028 0.000 0.215 647 S C 0.290 175.004 174.600 0.189 0.000 1.347 647 S CA -0.582 57.787 58.200 0.281 0.000 0.889 647 S CB -0.767 62.673 63.200 0.400 0.000 1.585 647 S HN 0.586 nan 8.310 nan 0.000 0.447 648 D N 0.776 121.252 120.400 0.128 0.000 2.358 648 D HA 0.094 4.750 4.640 0.028 0.000 0.224 648 D C 0.309 176.647 176.300 0.063 0.000 1.123 648 D CA -0.316 53.738 54.000 0.089 0.000 0.833 648 D CB -0.265 40.573 40.800 0.064 0.000 0.946 648 D HN 0.482 nan 8.370 nan 0.000 0.505 649 N N 0.170 118.915 118.700 0.075 0.000 2.620 649 N HA 0.150 4.907 4.740 0.028 0.000 0.277 649 N C -1.549 174.007 175.510 0.077 0.000 1.726 649 N CA -0.145 52.940 53.050 0.058 0.000 0.840 649 N CB 0.294 38.805 38.487 0.040 0.000 1.379 649 N HN -0.040 nan 8.380 nan 0.000 0.506 650 E N -0.098 120.147 120.200 0.075 0.000 2.335 650 E HA 0.515 4.882 4.350 0.028 0.000 0.280 650 E C -1.489 175.138 176.600 0.045 0.000 0.918 650 E CA -0.697 55.734 56.400 0.052 0.000 0.765 650 E CB 1.903 31.623 29.700 0.032 0.000 1.218 650 E HN 0.262 nan 8.360 nan 0.000 0.425 651 L N 0.060 121.308 121.223 0.042 0.000 2.393 651 L HA 0.746 5.103 4.340 0.028 0.000 0.260 651 L C -1.482 175.454 176.870 0.109 0.000 1.002 651 L CA -1.095 53.800 54.840 0.091 0.000 0.818 651 L CB 0.998 43.139 42.059 0.136 0.000 1.369 651 L HN 0.512 nan 8.230 nan 0.000 0.412 652 L N 1.976 123.304 121.223 0.176 0.000 2.282 652 L HA 0.624 4.981 4.340 0.028 0.000 0.288 652 L C -0.943 176.146 176.870 0.366 0.000 1.033 652 L CA 0.186 55.161 54.840 0.225 0.000 0.807 652 L CB 0.457 42.655 42.059 0.233 0.000 1.209 652 L HN 0.610 nan 8.230 nan 0.000 0.423 653 H N 5.286 124.430 119.070 0.124 0.000 2.467 653 H HA 0.468 5.041 4.556 0.028 0.000 0.326 653 H C -0.994 174.433 175.328 0.165 0.000 1.094 653 H CA -0.689 55.401 56.048 0.069 0.000 1.253 653 H CB 0.738 30.491 29.762 -0.015 0.000 1.439 653 H HN 0.664 nan 8.280 nan 0.000 0.479 654 W N 3.828 125.218 121.300 0.150 0.000 2.844 654 W HA 0.607 5.284 4.660 0.028 0.000 0.340 654 W C -1.587 174.981 176.519 0.081 0.000 1.093 654 W CA -1.325 56.089 57.345 0.114 0.000 1.212 654 W CB 1.530 31.044 29.460 0.090 0.000 1.422 654 W HN 0.541 nan 8.180 nan 0.000 0.515 655 M N 3.505 123.324 119.600 0.365 0.000 2.421 655 M HA 0.609 5.105 4.480 0.028 0.000 0.287 655 M C -2.547 173.977 176.300 0.373 0.000 1.183 655 M CA -0.756 54.652 55.300 0.180 0.000 0.916 655 M CB 1.952 34.564 32.600 0.020 0.000 1.701 655 M HN 0.184 nan 8.290 nan 0.000 0.470 656 V N 3.818 123.935 119.914 0.338 0.000 2.448 656 V HA 1.006 5.143 4.120 0.028 0.000 0.295 656 V C -0.462 175.748 176.094 0.193 0.000 1.025 656 V CA -0.196 62.288 62.300 0.306 0.000 0.859 656 V CB 1.081 33.105 31.823 0.336 0.000 0.988 656 V HN 1.102 nan 8.190 nan 0.000 0.431 657 A N 4.719 127.662 122.820 0.205 0.000 2.449 657 A HA 0.873 5.210 4.320 0.028 0.000 0.302 657 A C -1.424 176.281 177.584 0.201 0.000 1.048 657 A CA -0.601 51.523 52.037 0.144 0.000 0.708 657 A CB 1.722 20.765 19.000 0.072 0.000 1.274 657 A HN 0.880 nan 8.150 nan 0.000 0.410 658 L N 1.650 122.961 121.223 0.147 0.000 2.265 658 L HA 0.543 4.899 4.340 0.028 0.000 0.289 658 L C -0.458 176.511 176.870 0.165 0.000 1.033 658 L CA 0.249 55.187 54.840 0.164 0.000 0.814 658 L CB 0.383 42.505 42.059 0.105 0.000 1.203 658 L HN 0.761 nan 8.230 nan 0.000 0.423 659 D N 4.710 125.271 120.400 0.269 0.000 2.692 659 D HA -0.222 4.435 4.640 0.028 0.000 0.233 659 D C 1.214 177.571 176.300 0.094 0.000 1.172 659 D CA 1.447 55.604 54.000 0.261 0.000 0.636 659 D CB -1.133 39.790 40.800 0.205 0.000 1.028 659 D HN 1.220 nan 8.370 nan 0.000 0.419 660 G N -0.642 108.182 108.800 0.039 0.000 2.212 660 G HA2 -0.404 3.573 3.960 0.028 0.000 0.266 660 G HA3 -0.404 3.573 3.960 0.028 0.000 0.266 660 G C 0.341 175.166 174.900 -0.125 0.000 0.978 660 G CA 0.679 45.680 45.100 -0.165 0.000 0.632 660 G HN 0.502 nan 8.290 nan 0.000 0.537 661 K N 1.946 122.323 120.400 -0.039 0.000 2.310 661 K HA 0.412 4.749 4.320 0.028 0.000 0.290 661 K C -2.467 174.126 176.600 -0.011 0.000 1.077 661 K CA -1.646 54.623 56.287 -0.030 0.000 0.922 661 K CB 1.151 33.652 32.500 0.002 0.000 1.057 661 K HN 0.117 nan 8.250 nan 0.000 0.479 662 P HA 0.026 nan 4.420 nan 0.000 0.271 662 P C 0.041 177.342 177.300 0.000 0.000 1.216 662 P CA -0.044 63.043 63.100 -0.022 0.000 0.771 662 P CB 0.821 32.485 31.700 -0.060 0.000 0.864 663 L N 1.203 122.444 121.223 0.030 0.000 2.624 663 L HA 0.492 4.849 4.340 0.028 0.000 0.222 663 L C 0.723 177.621 176.870 0.046 0.000 1.046 663 L CA 0.425 55.293 54.840 0.047 0.000 0.872 663 L CB 0.317 42.428 42.059 0.087 0.000 1.190 663 L HN 0.434 nan 8.230 nan 0.000 0.487 664 A N -0.501 122.345 122.820 0.044 0.000 2.590 664 A HA 0.608 4.945 4.320 0.028 0.000 0.294 664 A C -0.956 176.459 177.584 -0.281 0.000 1.046 664 A CA -0.023 52.005 52.037 -0.014 0.000 0.684 664 A CB 1.388 20.523 19.000 0.226 0.000 1.279 664 A HN 0.084 nan 8.150 nan 0.000 0.415 665 S N -0.621 114.647 115.700 -0.719 0.000 2.656 665 S HA 0.998 5.485 4.470 0.028 0.000 0.273 665 S C -0.111 173.511 174.600 -1.630 0.000 1.168 665 S CA -0.201 57.160 58.200 -1.399 0.000 0.817 665 S CB 1.205 63.998 63.200 -0.678 0.000 1.146 665 S HN 2.598 nan 8.310 nan 0.000 0.475 666 G N -0.521 107.146 108.800 -1.889 0.000 2.488 666 G HA2 0.631 4.608 3.960 0.028 0.000 0.301 666 G HA3 0.631 4.608 3.960 0.028 0.000 0.301 666 G C -2.313 172.213 174.900 -0.623 0.000 1.339 666 G CA -0.726 43.813 45.100 -0.935 0.000 0.803 666 G HN 0.762 nan 8.290 nan 0.000 0.482 667 E N -1.307 118.809 120.200 -0.140 0.000 2.321 667 E HA 0.571 4.937 4.350 0.028 0.000 0.278 667 E C -1.360 175.340 176.600 0.167 0.000 0.902 667 E CA -0.650 55.753 56.400 0.004 0.000 0.758 667 E CB 3.141 32.766 29.700 -0.126 0.000 1.213 667 E HN 0.366 nan 8.360 nan 0.000 0.426 668 V N 3.190 123.240 119.914 0.227 0.000 2.709 668 V HA 0.470 4.607 4.120 0.028 0.000 0.308 668 V C -2.399 173.787 176.094 0.154 0.000 1.062 668 V CA -2.076 60.336 62.300 0.185 0.000 0.901 668 V CB 1.828 33.772 31.823 0.201 0.000 1.003 668 V HN 0.565 nan 8.190 nan 0.000 0.425 669 P HA 0.287 nan 4.420 nan 0.000 0.275 669 P C -0.850 176.514 177.300 0.106 0.000 1.227 669 P CA -0.138 63.025 63.100 0.105 0.000 0.781 669 P CB 0.826 32.578 31.700 0.087 0.000 0.906 670 L N 2.896 124.177 121.223 0.097 0.000 2.289 670 L HA 0.344 4.700 4.340 0.028 0.000 0.285 670 L C 0.349 177.297 176.870 0.130 0.000 1.049 670 L CA -0.005 54.895 54.840 0.101 0.000 0.804 670 L CB 1.034 43.123 42.059 0.049 0.000 1.195 670 L HN 0.331 nan 8.230 nan 0.000 0.428 671 D N 3.462 123.951 120.400 0.149 0.000 2.405 671 D HA 0.321 4.977 4.640 0.028 0.000 0.264 671 D C -1.247 175.175 176.300 0.203 0.000 1.240 671 D CA -0.161 53.949 54.000 0.182 0.000 0.893 671 D CB 1.052 41.941 40.800 0.148 0.000 1.198 671 D HN 0.050 nan 8.370 nan 0.000 0.514 672 V N 1.446 121.492 119.914 0.220 0.000 2.448 672 V HA 0.831 4.968 4.120 0.028 0.000 0.295 672 V C 0.813 176.860 176.094 -0.077 0.000 1.025 672 V CA -1.237 61.147 62.300 0.141 0.000 0.859 672 V CB 1.242 33.208 31.823 0.238 0.000 0.988 672 V HN 0.545 nan 8.190 nan 0.000 0.431 673 A N 6.765 129.405 122.820 -0.300 0.000 2.332 673 A HA 0.714 5.051 4.320 0.028 0.000 0.258 673 A C -2.291 175.073 177.584 -0.368 0.000 1.087 673 A CA -1.464 50.056 52.037 -0.862 0.000 0.802 673 A CB -0.127 18.588 19.000 -0.476 0.000 1.042 673 A HN 0.679 nan 8.150 nan 0.000 0.489 674 P HA 0.011 nan 4.420 nan 0.000 0.262 674 P C -0.403 176.816 177.300 -0.135 0.000 1.182 674 P CA 0.616 63.629 63.100 -0.145 0.000 0.761 674 P CB 0.517 32.147 31.700 -0.117 0.000 0.795 675 Q N -1.274 118.451 119.800 -0.125 0.000 2.305 675 Q HA -0.166 4.191 4.340 0.028 0.000 0.203 675 Q C 0.750 176.702 176.000 -0.079 0.000 0.663 675 Q CA 1.849 57.586 55.803 -0.111 0.000 1.389 675 Q CB -2.565 26.109 28.738 -0.107 0.000 1.566 675 Q HN 0.762 nan 8.270 nan 0.000 0.755 676 G N 0.252 109.008 108.800 -0.074 0.000 2.522 676 G HA2 0.522 4.498 3.960 0.028 0.000 0.304 676 G HA3 0.522 4.498 3.960 0.028 0.000 0.304 676 G C -0.196 174.700 174.900 -0.006 0.000 1.210 676 G CA -0.564 44.514 45.100 -0.037 0.000 0.960 676 G HN -0.012 nan 8.290 nan 0.000 0.497 677 K N -0.627 119.784 120.400 0.017 0.000 2.221 677 K HA 0.508 4.844 4.320 0.028 0.000 0.243 677 K C -0.709 175.929 176.600 0.063 0.000 0.968 677 K CA -0.573 55.737 56.287 0.039 0.000 0.846 677 K CB 2.218 34.735 32.500 0.028 0.000 1.141 677 K HN 0.538 nan 8.250 nan 0.000 0.434 678 Q N 1.954 121.802 119.800 0.080 0.000 2.315 678 Q HA 0.404 4.761 4.340 0.028 0.000 0.273 678 Q C -1.798 174.248 176.000 0.076 0.000 1.053 678 Q CA -0.618 55.237 55.803 0.087 0.000 0.817 678 Q CB 1.542 30.349 28.738 0.116 0.000 1.326 678 Q HN 0.494 nan 8.270 nan 0.000 0.423 679 L N 4.832 126.089 121.223 0.056 0.000 2.313 679 L HA 0.602 4.959 4.340 0.028 0.000 0.283 679 L C -0.688 176.199 176.870 0.028 0.000 1.013 679 L CA -0.730 54.131 54.840 0.036 0.000 0.816 679 L CB 1.541 43.610 42.059 0.017 0.000 1.236 679 L HN 0.607 nan 8.230 nan 0.000 0.419 680 I N 2.843 123.420 120.570 0.013 0.000 2.436 680 I HA 0.275 4.462 4.170 0.028 0.000 0.289 680 I C -0.175 175.900 176.117 -0.070 0.000 1.010 680 I CA -0.434 60.863 61.300 -0.006 0.000 1.098 680 I CB 2.336 40.350 38.000 0.023 0.000 1.266 680 I HN 0.586 nan 8.210 nan 0.000 0.434 681 E N 6.655 126.810 120.200 -0.075 0.000 2.174 681 E HA 0.443 4.810 4.350 0.028 0.000 0.282 681 E C -0.987 175.498 176.600 -0.192 0.000 0.992 681 E CA -0.665 55.663 56.400 -0.120 0.000 0.803 681 E CB 1.349 31.000 29.700 -0.083 0.000 1.090 681 E HN 0.455 nan 8.360 nan 0.000 0.396 682 L N 5.245 126.290 121.223 -0.297 0.000 2.453 682 L HA 0.326 4.682 4.340 0.028 0.000 0.261 682 L C -1.932 174.770 176.870 -0.280 0.000 1.179 682 L CA -1.934 52.628 54.840 -0.463 0.000 0.813 682 L CB 0.080 41.718 42.059 -0.701 0.000 1.110 682 L HN 0.389 nan 8.230 nan 0.000 0.466 683 P HA -0.000 nan 4.420 nan 0.000 0.272 683 P C -0.702 176.551 177.300 -0.078 0.000 1.230 683 P CA -0.484 62.565 63.100 -0.085 0.000 0.788 683 P CB 0.350 32.080 31.700 0.050 0.000 0.949 684 E N 1.747 121.929 120.200 -0.030 0.000 2.652 684 E HA -0.063 4.304 4.350 0.028 0.000 0.255 684 E C -1.104 175.494 176.600 -0.003 0.000 0.952 684 E CA 0.133 56.520 56.400 -0.022 0.000 0.947 684 E CB -0.119 29.581 29.700 -0.000 0.000 0.912 684 E HN 0.274 nan 8.360 nan 0.000 0.489 685 L N 7.899 129.114 121.223 -0.014 0.000 2.265 685 L HA 0.358 4.715 4.340 0.028 0.000 0.289 685 L C -1.803 175.082 176.870 0.026 0.000 1.033 685 L CA -2.000 52.854 54.840 0.023 0.000 0.814 685 L CB 1.270 43.347 42.059 0.031 0.000 1.203 685 L HN 0.614 nan 8.230 nan 0.000 0.423 686 P HA -0.052 nan 4.420 nan 0.000 0.269 686 P C -0.784 176.533 177.300 0.029 0.000 1.211 686 P CA -0.379 62.740 63.100 0.032 0.000 0.781 686 P CB 0.624 32.349 31.700 0.041 0.000 0.877 687 Q N 1.916 121.728 119.800 0.021 0.000 2.340 687 Q HA 0.351 4.707 4.340 0.028 0.000 0.249 687 Q C -1.892 174.123 176.000 0.025 0.000 0.957 687 Q CA -1.246 54.568 55.803 0.019 0.000 0.882 687 Q CB -0.463 28.283 28.738 0.012 0.000 1.235 687 Q HN 0.375 nan 8.270 nan 0.000 0.439 688 P HA 0.179 nan 4.420 nan 0.000 0.286 688 P C -0.214 177.103 177.300 0.027 0.000 1.261 688 P CA -0.344 62.775 63.100 0.032 0.000 0.821 688 P CB 1.058 32.781 31.700 0.039 0.000 1.013 689 E N 0.319 120.535 120.200 0.027 0.000 2.136 689 E HA -0.155 4.212 4.350 0.028 0.000 0.202 689 E C 0.747 177.362 176.600 0.025 0.000 1.019 689 E CA 1.783 58.198 56.400 0.024 0.000 0.819 689 E CB 0.135 29.849 29.700 0.023 0.000 0.739 689 E HN 0.696 nan 8.360 nan 0.000 0.458 690 S N -1.642 114.076 115.700 0.030 0.000 2.929 690 S HA 0.611 5.098 4.470 0.028 0.000 0.311 690 S C -0.709 173.912 174.600 0.036 0.000 1.213 690 S CA -0.539 57.680 58.200 0.031 0.000 0.908 690 S CB 1.127 64.347 63.200 0.033 0.000 1.287 690 S HN 0.137 nan 8.310 nan 0.000 0.594 691 A N -0.160 122.683 122.820 0.038 0.000 2.445 691 A HA 0.741 5.077 4.320 0.028 0.000 0.242 691 A C 0.885 178.502 177.584 0.054 0.000 1.075 691 A CA 0.487 52.549 52.037 0.041 0.000 0.777 691 A CB -0.796 18.230 19.000 0.042 0.000 1.013 691 A HN 2.412 nan 8.150 nan 0.000 0.493 692 G N -0.244 108.587 108.800 0.052 0.000 2.369 692 G HA2 0.439 4.416 3.960 0.028 0.000 0.307 692 G HA3 0.439 4.416 3.960 0.028 0.000 0.307 692 G C -1.213 173.717 174.900 0.050 0.000 1.327 692 G CA -0.299 44.844 45.100 0.072 0.000 0.963 692 G HN 1.116 nan 8.290 nan 0.000 0.590 693 Q N -0.046 119.799 119.800 0.075 0.000 2.314 693 Q HA 0.714 5.071 4.340 0.028 0.000 0.259 693 Q C -0.339 175.701 176.000 0.067 0.000 0.951 693 Q CA -0.505 55.291 55.803 -0.012 0.000 0.909 693 Q CB 1.135 29.825 28.738 -0.079 0.000 1.236 693 Q HN 0.557 nan 8.270 nan 0.000 0.444 694 L N 4.272 125.476 121.223 -0.031 0.000 2.326 694 L HA 0.486 4.842 4.340 0.028 0.000 0.278 694 L C -0.772 176.090 176.870 -0.015 0.000 1.092 694 L CA -0.404 54.474 54.840 0.064 0.000 0.810 694 L CB 0.758 42.838 42.059 0.036 0.000 1.153 694 L HN 0.678 nan 8.230 nan 0.000 0.439 695 W N 4.083 125.442 121.300 0.098 0.000 2.785 695 W HA 0.493 5.169 4.660 0.027 0.000 0.333 695 W C -0.867 175.760 176.519 0.180 0.000 1.062 695 W CA -0.530 56.895 57.345 0.133 0.000 1.233 695 W CB 1.735 31.289 29.460 0.156 0.000 1.413 695 W HN 0.115 nan 8.180 nan 0.000 0.489 696 L N 3.448 124.962 121.223 0.485 0.000 2.295 696 L HA 0.763 5.120 4.340 0.028 0.000 0.285 696 L C -0.329 176.858 176.870 0.529 0.000 1.035 696 L CA 0.124 55.238 54.840 0.457 0.000 0.806 696 L CB 1.293 43.589 42.059 0.395 0.000 1.214 696 L HN 0.329 nan 8.230 nan 0.000 0.426 697 T N 5.165 119.970 114.554 0.418 0.000 2.841 697 T HA 0.647 5.014 4.350 0.028 0.000 0.285 697 T C -0.680 174.209 174.700 0.315 0.000 0.991 697 T CA -0.459 61.834 62.100 0.321 0.000 0.966 697 T CB 1.456 70.448 68.868 0.206 0.000 0.962 697 T HN 0.612 nan 8.240 nan 0.000 0.438 698 V N 1.588 121.654 119.914 0.252 0.000 2.769 698 V HA 0.861 4.998 4.120 0.028 0.000 0.312 698 V C -0.648 175.508 176.094 0.102 0.000 1.061 698 V CA -1.146 61.270 62.300 0.195 0.000 0.931 698 V CB 2.007 33.929 31.823 0.165 0.000 1.010 698 V HN 0.827 nan 8.190 nan 0.000 0.433 699 R N 2.063 122.645 120.500 0.136 0.000 2.604 699 R HA 0.729 5.085 4.340 0.028 0.000 0.281 699 R C -1.669 174.693 176.300 0.104 0.000 1.020 699 R CA -0.636 55.547 56.100 0.137 0.000 0.899 699 R CB 2.612 32.954 30.300 0.069 0.000 1.205 699 R HN 0.768 nan 8.270 nan 0.000 0.450 700 V N 4.473 124.475 119.914 0.147 0.000 2.406 700 V HA 0.331 4.468 4.120 0.028 0.000 0.272 700 V C -0.147 175.956 176.094 0.015 0.000 1.043 700 V CA -0.517 61.823 62.300 0.067 0.000 0.915 700 V CB 1.366 33.197 31.823 0.013 0.000 0.988 700 V HN 0.416 nan 8.190 nan 0.000 0.466 701 V N 5.329 125.203 119.914 -0.068 0.000 2.628 701 V HA 0.424 4.561 4.120 0.028 0.000 0.306 701 V C -0.247 175.837 176.094 -0.016 0.000 1.045 701 V CA -0.797 61.443 62.300 -0.101 0.000 0.905 701 V CB 1.962 33.603 31.823 -0.303 0.000 0.997 701 V HN 0.903 nan 8.190 nan 0.000 0.436 702 Q N 5.470 125.289 119.800 0.031 0.000 2.368 702 Q HA 0.304 4.661 4.340 0.028 0.000 0.256 702 Q C -1.891 174.118 176.000 0.014 0.000 0.980 702 Q CA -1.813 54.019 55.803 0.049 0.000 0.887 702 Q CB 1.993 30.779 28.738 0.080 0.000 1.221 702 Q HN 0.462 nan 8.270 nan 0.000 0.458 703 P HA -0.124 nan 4.420 nan 0.000 0.220 703 P C -0.519 176.778 177.300 -0.004 0.000 1.152 703 P CA 0.916 64.022 63.100 0.012 0.000 0.812 703 P CB 0.410 32.128 31.700 0.030 0.000 0.792 704 N N -0.314 118.377 118.700 -0.015 0.000 2.456 704 N HA 0.451 5.208 4.740 0.028 0.000 0.296 704 N C -0.310 175.149 175.510 -0.085 0.000 1.102 704 N CA -0.678 52.349 53.050 -0.038 0.000 0.924 704 N CB 0.936 39.405 38.487 -0.029 0.000 1.186 704 N HN -0.052 nan 8.380 nan 0.000 0.492 705 A N 0.665 123.430 122.820 -0.093 0.000 2.425 705 A HA 0.442 4.779 4.320 0.028 0.000 0.242 705 A C 0.566 178.032 177.584 -0.196 0.000 1.077 705 A CA -0.038 51.910 52.037 -0.148 0.000 0.781 705 A CB -0.099 18.838 19.000 -0.105 0.000 1.020 705 A HN 0.710 nan 8.150 nan 0.000 0.494 706 T N -2.519 111.832 114.554 -0.337 0.000 2.858 706 T HA 0.631 4.997 4.350 0.028 0.000 0.285 706 T C 0.943 175.475 174.700 -0.281 0.000 1.052 706 T CA -0.003 61.867 62.100 -0.383 0.000 1.009 706 T CB 1.273 69.634 68.868 -0.846 0.000 1.241 706 T HN 1.327 nan 8.240 nan 0.000 0.542 707 A N -0.049 122.708 122.820 -0.105 0.000 2.121 707 A HA 0.117 4.454 4.320 0.028 0.000 0.218 707 A C 1.575 179.294 177.584 0.225 0.000 1.154 707 A CA 0.957 53.061 52.037 0.111 0.000 0.679 707 A CB -0.851 18.280 19.000 0.218 0.000 0.795 707 A HN 0.923 nan 8.150 nan 0.000 0.458 708 W N -0.832 120.521 121.300 0.088 0.000 2.714 708 W HA 0.413 5.090 4.660 0.029 0.000 0.353 708 W C -0.201 176.267 176.519 -0.085 0.000 0.999 708 W CA 0.469 57.815 57.345 0.002 0.000 1.629 708 W CB -1.011 28.431 29.460 -0.030 0.000 1.106 708 W HN 0.383 nan 8.180 nan 0.000 0.545 709 S N 0.129 115.369 115.700 -0.767 0.000 2.579 709 S HA 0.449 4.935 4.470 0.028 0.000 0.272 709 S C -0.811 173.561 174.600 -0.381 0.000 1.141 709 S CA -0.642 57.162 58.200 -0.660 0.000 0.843 709 S CB 2.899 65.380 63.200 -1.198 0.000 1.122 709 S HN -0.059 nan 8.310 nan 0.000 0.468 710 E N 0.853 120.937 120.200 -0.194 0.000 2.349 710 E HA 0.599 4.965 4.350 0.028 0.000 0.265 710 E C 0.337 176.894 176.600 -0.071 0.000 1.064 710 E CA -0.399 55.946 56.400 -0.093 0.000 0.886 710 E CB 1.500 31.187 29.700 -0.021 0.000 1.036 710 E HN 0.901 nan 8.360 nan 0.000 0.413 711 A N 0.652 123.440 122.820 -0.052 0.000 2.498 711 A HA 0.420 4.757 4.320 0.028 0.000 0.239 711 A C 1.202 178.784 177.584 -0.004 0.000 1.068 711 A CA 0.892 52.909 52.037 -0.033 0.000 0.766 711 A CB -0.215 18.771 19.000 -0.023 0.000 1.003 711 A HN 0.758 nan 8.150 nan 0.000 0.497 712 G N 0.260 109.062 108.800 0.003 0.000 2.234 712 G HA2 -0.247 3.730 3.960 0.028 0.000 0.235 712 G HA3 -0.247 3.730 3.960 0.028 0.000 0.235 712 G C 0.334 175.243 174.900 0.016 0.000 0.997 712 G CA 0.649 45.749 45.100 -0.001 0.000 0.623 712 G HN 1.691 nan 8.290 nan 0.000 0.514 713 H N 0.962 120.008 119.070 -0.040 0.000 3.094 713 H HA 0.402 4.975 4.556 0.028 0.000 0.320 713 H C 0.610 175.963 175.328 0.042 0.000 1.000 713 H CA 0.646 56.695 56.048 0.002 0.000 1.413 713 H CB 0.108 29.855 29.762 -0.025 0.000 1.405 713 H HN 0.330 nan 8.280 nan 0.000 0.586 714 I N 4.511 124.809 120.570 -0.452 0.000 2.315 714 I HA 0.051 4.238 4.170 0.028 0.000 0.291 714 I C 0.802 176.759 176.117 -0.267 0.000 1.006 714 I CA 0.051 61.208 61.300 -0.239 0.000 1.265 714 I CB 1.521 39.434 38.000 -0.144 0.000 1.387 714 I HN 0.771 nan 8.210 nan 0.000 0.475 715 S N 4.094 119.839 115.700 0.076 0.000 2.523 715 S HA 0.639 5.126 4.470 0.028 0.000 0.217 715 S C 0.375 175.230 174.600 0.425 0.000 0.996 715 S CA -0.105 58.281 58.200 0.311 0.000 0.921 715 S CB 0.541 64.037 63.200 0.493 0.000 0.829 715 S HN 0.700 nan 8.310 nan 0.000 0.495 716 A N 0.633 123.730 122.820 0.462 0.000 2.599 716 A HA 0.638 4.975 4.320 0.028 0.000 0.294 716 A C -1.739 176.196 177.584 0.584 0.000 1.055 716 A CA -0.904 51.416 52.037 0.471 0.000 0.683 716 A CB 0.284 19.607 19.000 0.538 0.000 1.278 716 A HN 0.921 nan 8.150 nan 0.000 0.412 717 W N 0.181 121.625 121.300 0.241 0.000 3.005 717 W HA 0.818 5.495 4.660 0.029 0.000 0.343 717 W C -1.164 175.346 176.519 -0.015 0.000 1.243 717 W CA -0.616 56.746 57.345 0.028 0.000 1.186 717 W CB 1.149 30.599 29.460 -0.016 0.000 1.453 717 W HN 1.146 nan 8.180 nan 0.000 0.575 718 Q N 1.012 120.799 119.800 -0.021 0.000 2.594 718 Q HA 0.406 4.763 4.340 0.028 0.000 0.278 718 Q C -1.713 174.072 176.000 -0.359 0.000 0.961 718 Q CA -0.424 55.205 55.803 -0.290 0.000 0.844 718 Q CB 2.218 30.598 28.738 -0.597 0.000 1.475 718 Q HN 0.640 nan 8.270 nan 0.000 0.389 719 Q N 1.353 120.892 119.800 -0.434 0.000 2.458 719 Q HA 0.680 5.037 4.340 0.028 0.000 0.282 719 Q C -1.161 174.659 176.000 -0.300 0.000 1.106 719 Q CA -0.732 54.986 55.803 -0.143 0.000 0.814 719 Q CB 2.301 31.166 28.738 0.213 0.000 1.425 719 Q HN 0.638 nan 8.270 nan 0.000 0.437 720 W N 0.719 122.188 121.300 0.282 0.000 3.217 720 W HA 0.444 5.121 4.660 0.027 0.000 0.323 720 W C -0.467 176.024 176.519 -0.047 0.000 1.216 720 W CA -0.709 56.712 57.345 0.127 0.000 1.194 720 W CB 1.617 31.106 29.460 0.047 0.000 1.397 720 W HN 0.418 nan 8.180 nan 0.000 0.537 721 R N 1.671 122.078 120.500 -0.155 0.000 2.390 721 R HA 0.432 4.789 4.340 0.028 0.000 0.291 721 R C 0.579 176.724 176.300 -0.258 0.000 1.070 721 R CA -0.078 55.621 56.100 -0.667 0.000 1.014 721 R CB 1.097 30.940 30.300 -0.761 0.000 1.007 721 R HN 0.327 nan 8.270 nan 0.000 0.466 722 L N 1.354 122.435 121.223 -0.237 0.000 2.674 722 L HA 0.499 4.855 4.340 0.028 0.000 0.182 722 L C 0.560 177.347 176.870 -0.138 0.000 1.867 722 L CA -0.864 53.904 54.840 -0.120 0.000 2.994 722 L CB -0.215 41.816 42.059 -0.046 0.000 2.945 722 L HN 0.578 nan 8.230 nan 0.000 0.729 723 A N 0.407 123.172 122.820 -0.091 0.000 2.407 723 A HA 0.269 4.606 4.320 0.028 0.000 0.248 723 A C -0.369 177.163 177.584 -0.087 0.000 1.082 723 A CA 0.099 52.090 52.037 -0.077 0.000 0.785 723 A CB 0.248 19.222 19.000 -0.045 0.000 1.020 723 A HN 0.574 nan 8.150 nan 0.000 0.489 724 E N 1.668 121.821 120.200 -0.079 0.000 2.210 724 E HA 0.327 4.694 4.350 0.028 0.000 0.266 724 E C -1.342 175.241 176.600 -0.030 0.000 0.883 724 E CA -0.740 55.621 56.400 -0.066 0.000 0.761 724 E CB 0.861 30.510 29.700 -0.086 0.000 1.156 724 E HN 0.709 nan 8.360 nan 0.000 0.412 725 N N 5.422 124.117 118.700 -0.008 0.000 2.479 725 N HA 0.272 5.028 4.740 0.028 0.000 0.261 725 N C -0.583 174.934 175.510 0.013 0.000 0.979 725 N CA -0.407 52.645 53.050 0.003 0.000 0.930 725 N CB 1.335 39.829 38.487 0.012 0.000 1.172 725 N HN 0.448 nan 8.380 nan 0.000 0.499 726 L N 0.684 121.914 121.223 0.012 0.000 2.397 726 L HA 0.172 4.528 4.340 0.028 0.000 0.271 726 L C 1.293 178.179 176.870 0.027 0.000 1.148 726 L CA -0.215 54.638 54.840 0.022 0.000 0.825 726 L CB 0.614 42.686 42.059 0.020 0.000 1.117 726 L HN 0.393 nan 8.230 nan 0.000 0.456 727 S N 1.357 117.078 115.700 0.036 0.000 2.465 727 S HA 0.186 4.673 4.470 0.028 0.000 0.280 727 S C 0.614 175.234 174.600 0.033 0.000 1.232 727 S CA -0.727 57.495 58.200 0.037 0.000 1.066 727 S CB 0.519 63.746 63.200 0.046 0.000 0.929 727 S HN 0.484 nan 8.310 nan 0.000 0.494 728 V N 2.595 122.526 119.914 0.028 0.000 3.319 728 V HA 0.348 4.485 4.120 0.028 0.000 0.317 728 V C 0.478 176.587 176.094 0.025 0.000 1.411 728 V CA -0.026 62.289 62.300 0.025 0.000 1.112 728 V CB -0.449 31.386 31.823 0.020 0.000 1.031 728 V HN 0.809 nan 8.190 nan 0.000 0.448 729 T N 1.686 116.257 114.554 0.028 0.000 2.728 729 T HA 0.667 5.033 4.350 0.028 0.000 0.296 729 T C -0.121 174.596 174.700 0.028 0.000 0.940 729 T CA -0.424 61.692 62.100 0.027 0.000 1.013 729 T CB 0.876 69.760 68.868 0.027 0.000 0.912 729 T HN 0.403 nan 8.240 nan 0.000 0.484 730 L N 4.660 125.897 121.223 0.024 0.000 2.369 730 L HA 0.365 4.721 4.340 0.028 0.000 0.279 730 L C -1.615 175.268 176.870 0.022 0.000 1.108 730 L CA -1.819 53.034 54.840 0.023 0.000 0.852 730 L CB -0.810 41.261 42.059 0.020 0.000 1.169 730 L HN 0.432 nan 8.230 nan 0.000 0.452 731 P HA 0.230 nan 4.420 nan 0.000 0.272 731 P C -0.244 177.065 177.300 0.014 0.000 1.230 731 P CA -0.519 62.592 63.100 0.018 0.000 0.788 731 P CB 0.690 32.398 31.700 0.014 0.000 0.949 732 A N 1.323 124.151 122.820 0.014 0.000 2.483 732 A HA 0.444 4.780 4.320 0.028 0.000 0.238 732 A C 0.508 178.087 177.584 -0.010 0.000 1.070 732 A CA 0.019 52.068 52.037 0.021 0.000 0.770 732 A CB -0.465 18.562 19.000 0.045 0.000 1.008 732 A HN 0.657 nan 8.150 nan 0.000 0.497 733 A N 2.720 125.547 122.820 0.011 0.000 2.354 733 A HA 0.520 4.856 4.320 0.028 0.000 0.281 733 A C 0.859 178.409 177.584 -0.056 0.000 1.174 733 A CA 0.126 52.160 52.037 -0.005 0.000 0.828 733 A CB -0.644 18.369 19.000 0.021 0.000 1.099 733 A HN 1.907 nan 8.150 nan 0.000 0.516 734 S N 2.571 118.211 115.700 -0.100 0.000 3.116 734 S HA -0.134 4.352 4.470 0.028 0.000 0.367 734 S C 0.225 174.783 174.600 -0.069 0.000 1.202 734 S CA 0.860 58.972 58.200 -0.147 0.000 1.018 734 S CB -0.609 62.552 63.200 -0.066 0.000 0.726 734 S HN 0.769 nan 8.310 nan 0.000 0.506 735 H N 1.315 120.398 119.070 0.023 0.000 2.612 735 H HA 0.536 5.109 4.556 0.028 0.000 0.285 735 H C 0.671 176.012 175.328 0.022 0.000 1.066 735 H CA 0.212 56.271 56.048 0.019 0.000 1.180 735 H CB -0.270 29.502 29.762 0.017 0.000 1.312 735 H HN 0.853 nan 8.280 nan 0.000 0.606 736 A N 0.965 123.827 122.820 0.071 0.000 2.581 736 A HA 0.590 4.926 4.320 0.028 0.000 0.290 736 A C -1.714 175.894 177.584 0.039 0.000 1.119 736 A CA -0.820 51.252 52.037 0.058 0.000 0.670 736 A CB 1.307 20.344 19.000 0.062 0.000 1.280 736 A HN 0.235 nan 8.150 nan 0.000 0.425 737 I N 0.507 121.106 120.570 0.048 0.000 2.534 737 I HA 0.606 4.792 4.170 0.028 0.000 0.286 737 I C -2.728 173.430 176.117 0.068 0.000 1.094 737 I CA -1.810 59.516 61.300 0.043 0.000 1.055 737 I CB 2.096 40.113 38.000 0.028 0.000 1.225 737 I HN 0.388 nan 8.210 nan 0.000 0.435 738 P HA 0.021 nan 4.420 nan 0.000 0.264 738 P C -1.191 176.169 177.300 0.099 0.000 1.183 738 P CA 0.372 63.517 63.100 0.075 0.000 0.763 738 P CB 0.239 31.928 31.700 -0.019 0.000 0.807 739 H N 3.068 122.169 119.070 0.052 0.000 2.476 739 H HA 0.390 4.963 4.556 0.028 0.000 0.328 739 H C -0.948 174.413 175.328 0.055 0.000 1.073 739 H CA -0.929 55.144 56.048 0.041 0.000 1.229 739 H CB 1.172 30.957 29.762 0.039 0.000 1.432 739 H HN 0.277 nan 8.280 nan 0.000 0.477 740 L N 4.576 125.404 121.223 -0.657 0.000 2.307 740 L HA 0.359 4.716 4.340 0.028 0.000 0.282 740 L C -0.739 175.930 176.870 -0.335 0.000 1.051 740 L CA -0.025 54.603 54.840 -0.353 0.000 0.804 740 L CB 1.664 43.581 42.059 -0.236 0.000 1.197 740 L HN 0.561 nan 8.230 nan 0.000 0.431 741 T N 3.057 117.589 114.554 -0.037 0.000 2.864 741 T HA 0.351 4.718 4.350 0.028 0.000 0.299 741 T C -0.496 174.286 174.700 0.137 0.000 1.011 741 T CA -0.388 61.745 62.100 0.055 0.000 0.975 741 T CB 0.891 69.827 68.868 0.114 0.000 0.962 741 T HN 0.693 nan 8.240 nan 0.000 0.448 742 T N 3.457 118.096 114.554 0.141 0.000 2.749 742 T HA 0.528 4.895 4.350 0.028 0.000 0.295 742 T C 0.491 175.213 174.700 0.038 0.000 0.936 742 T CA -0.559 61.643 62.100 0.169 0.000 1.060 742 T CB 0.604 69.618 68.868 0.242 0.000 0.904 742 T HN 0.657 nan 8.240 nan 0.000 0.500 743 S N 2.281 117.956 115.700 -0.041 0.000 2.638 743 S HA 0.441 4.927 4.470 0.028 0.000 0.302 743 S C 0.927 175.452 174.600 -0.125 0.000 1.096 743 S CA -0.910 57.259 58.200 -0.052 0.000 0.953 743 S CB 1.687 64.875 63.200 -0.020 0.000 1.107 743 S HN 0.493 nan 8.310 nan 0.000 0.503 744 E N 0.676 120.824 120.200 -0.088 0.000 2.085 744 E HA -0.090 4.277 4.350 0.028 0.000 0.194 744 E C 1.485 177.998 176.600 -0.146 0.000 0.994 744 E CA 1.440 57.774 56.400 -0.111 0.000 0.801 744 E CB -0.201 29.460 29.700 -0.065 0.000 0.743 744 E HN 0.658 nan 8.360 nan 0.000 0.453 745 M N 0.195 119.733 119.600 -0.104 0.000 2.541 745 M HA 0.111 4.607 4.480 0.028 0.000 0.252 745 M C -0.345 175.900 176.300 -0.092 0.000 1.125 745 M CA 0.616 55.867 55.300 -0.082 0.000 1.091 745 M CB -0.030 32.554 32.600 -0.027 0.000 1.420 745 M HN -0.175 nan 8.290 nan 0.000 0.486 746 D N -1.412 118.909 120.400 -0.132 0.000 2.648 746 D HA 0.444 5.101 4.640 0.028 0.000 0.244 746 D C -1.638 174.625 176.300 -0.062 0.000 1.244 746 D CA -0.348 53.617 54.000 -0.059 0.000 0.772 746 D CB 1.954 42.792 40.800 0.063 0.000 1.379 746 D HN -0.111 nan 8.370 nan 0.000 0.428 747 F N 0.907 120.926 119.950 0.116 0.000 2.449 747 F HA 0.535 5.078 4.527 0.028 0.000 0.342 747 F C -0.333 175.570 175.800 0.172 0.000 1.127 747 F CA -0.712 57.340 58.000 0.087 0.000 0.975 747 F CB 1.177 40.191 39.000 0.023 0.000 1.146 747 F HN 0.147 nan 8.300 nan 0.000 0.444 748 C N 4.287 123.771 119.300 0.308 0.000 2.493 748 C HA 0.751 5.227 4.460 0.028 0.000 0.326 748 C C -0.495 174.638 174.990 0.238 0.000 1.200 748 C CA -0.783 58.405 59.018 0.284 0.000 1.739 748 C CB 1.273 29.129 27.740 0.193 0.000 2.300 748 C HN 0.509 nan 8.230 nan 0.000 0.500 749 I N 2.219 122.989 120.570 0.332 0.000 2.466 749 I HA 0.477 4.664 4.170 0.028 0.000 0.289 749 I C -0.226 176.159 176.117 0.446 0.000 1.026 749 I CA -0.200 61.287 61.300 0.312 0.000 1.078 749 I CB 1.498 39.647 38.000 0.248 0.000 1.249 749 I HN 0.602 nan 8.210 nan 0.000 0.429 750 E N 4.818 125.215 120.200 0.329 0.000 2.222 750 E HA 0.769 5.136 4.350 0.028 0.000 0.267 750 E C -1.591 175.189 176.600 0.300 0.000 0.884 750 E CA -0.669 55.909 56.400 0.296 0.000 0.764 750 E CB 2.285 32.094 29.700 0.181 0.000 1.169 750 E HN 0.421 nan 8.360 nan 0.000 0.413 751 L N 3.786 125.189 121.223 0.300 0.000 2.617 751 L HA 0.509 4.866 4.340 0.028 0.000 0.259 751 L C 0.246 177.204 176.870 0.147 0.000 0.995 751 L CA 0.669 55.657 54.840 0.247 0.000 0.899 751 L CB 0.913 43.170 42.059 0.329 0.000 1.181 751 L HN 0.684 nan 8.230 nan 0.000 0.437 752 G N 4.253 113.104 108.800 0.085 0.000 2.596 752 G HA2 -0.455 3.522 3.960 0.028 0.000 0.304 752 G HA3 -0.455 3.522 3.960 0.028 0.000 0.304 752 G C 0.764 175.669 174.900 0.008 0.000 1.189 752 G CA 0.665 45.790 45.100 0.042 0.000 0.986 752 G HN 1.078 nan 8.290 nan 0.000 0.548 753 N N 1.644 120.340 118.700 -0.007 0.000 2.494 753 N HA 0.056 4.812 4.740 0.028 0.000 0.182 753 N C 0.673 176.133 175.510 -0.083 0.000 1.076 753 N CA 1.380 54.406 53.050 -0.041 0.000 0.908 753 N CB 0.035 38.500 38.487 -0.037 0.000 0.967 753 N HN 0.747 nan 8.380 nan 0.000 0.449 754 K N -0.053 120.283 120.400 -0.107 0.000 2.166 754 K HA 0.468 4.804 4.320 0.028 0.000 0.245 754 K C -0.439 175.962 176.600 -0.333 0.000 0.967 754 K CA -0.770 55.329 56.287 -0.314 0.000 0.863 754 K CB 2.063 34.280 32.500 -0.471 0.000 1.107 754 K HN 0.046 nan 8.250 nan 0.000 0.436 755 R N 1.221 121.404 120.500 -0.529 0.000 2.566 755 R HA 0.308 4.664 4.340 0.028 0.000 0.271 755 R C -1.800 174.329 176.300 -0.285 0.000 1.071 755 R CA -0.590 55.396 56.100 -0.191 0.000 0.915 755 R CB 1.199 31.457 30.300 -0.069 0.000 1.228 755 R HN 0.612 nan 8.270 nan 0.000 0.449 756 W N 4.098 125.495 121.300 0.162 0.000 2.532 756 W HA 0.334 5.010 4.660 0.028 0.000 0.321 756 W C -0.661 175.951 176.519 0.154 0.000 1.037 756 W CA -0.650 56.753 57.345 0.098 0.000 1.220 756 W CB 2.152 31.686 29.460 0.124 0.000 1.361 756 W HN 0.507 nan 8.180 nan 0.000 0.468 757 Q N 3.293 123.226 119.800 0.221 0.000 2.333 757 Q HA 0.371 4.728 4.340 0.028 0.000 0.268 757 Q C -1.796 174.179 176.000 -0.042 0.000 1.007 757 Q CA -0.499 55.438 55.803 0.223 0.000 0.810 757 Q CB 1.148 30.096 28.738 0.350 0.000 1.264 757 Q HN 0.359 nan 8.270 nan 0.000 0.452 758 F N 3.210 123.255 119.950 0.158 0.000 2.375 758 F HA 0.278 4.821 4.527 0.028 0.000 0.361 758 F C 0.645 176.513 175.800 0.114 0.000 1.117 758 F CA -0.782 57.286 58.000 0.112 0.000 1.037 758 F CB 1.146 40.208 39.000 0.102 0.000 1.192 758 F HN 0.485 nan 8.300 nan 0.000 0.452 759 N N 3.888 122.716 118.700 0.213 0.000 2.452 759 N HA 0.021 4.778 4.740 0.028 0.000 0.266 759 N C 0.930 176.511 175.510 0.118 0.000 1.209 759 N CA 0.059 53.197 53.050 0.147 0.000 0.929 759 N CB 0.712 39.283 38.487 0.139 0.000 1.063 759 N HN 0.683 nan 8.380 nan 0.000 0.472 760 R N 2.729 123.241 120.500 0.021 0.000 2.236 760 R HA -0.053 4.304 4.340 0.028 0.000 0.208 760 R C 1.148 177.428 176.300 -0.033 0.000 1.036 760 R CA 0.832 56.900 56.100 -0.054 0.000 1.001 760 R CB 0.142 30.282 30.300 -0.268 0.000 0.896 760 R HN 0.531 nan 8.270 nan 0.000 0.464 761 Q N 0.277 120.078 119.800 0.001 0.000 2.204 761 Q HA -0.000 4.356 4.340 0.028 0.000 0.198 761 Q C 2.151 178.172 176.000 0.034 0.000 0.946 761 Q CA 1.646 57.454 55.803 0.008 0.000 0.859 761 Q CB 0.291 29.036 28.738 0.012 0.000 0.946 761 Q HN 0.357 nan 8.270 nan 0.000 0.474 762 S N -1.488 114.265 115.700 0.087 0.000 2.446 762 S HA 0.168 4.654 4.470 0.028 0.000 0.225 762 S C 1.647 176.237 174.600 -0.017 0.000 1.016 762 S CA 0.565 58.858 58.200 0.155 0.000 0.943 762 S CB 0.047 63.454 63.200 0.345 0.000 0.786 762 S HN 0.455 nan 8.310 nan 0.000 0.508 763 G N 0.325 109.104 108.800 -0.035 0.000 2.143 763 G HA2 -0.224 3.753 3.960 0.028 0.000 0.249 763 G HA3 -0.224 3.753 3.960 0.028 0.000 0.249 763 G C -0.091 174.733 174.900 -0.128 0.000 0.981 763 G CA 0.303 45.338 45.100 -0.107 0.000 0.665 763 G HN 0.534 nan 8.290 nan 0.000 0.528 764 F N -1.070 119.069 119.950 0.315 0.000 2.523 764 F HA 0.664 5.208 4.527 0.028 0.000 0.329 764 F C 0.573 176.406 175.800 0.055 0.000 1.061 764 F CA -1.374 56.767 58.000 0.235 0.000 0.967 764 F CB 1.416 40.509 39.000 0.155 0.000 1.218 764 F HN 0.009 nan 8.300 nan 0.000 0.480 765 L N 2.152 123.418 121.223 0.071 0.000 2.515 765 L HA 0.159 4.515 4.340 0.028 0.000 0.281 765 L C 0.954 177.715 176.870 -0.182 0.000 1.131 765 L CA 0.453 54.984 54.840 -0.515 0.000 0.905 765 L CB 0.061 41.770 42.059 -0.582 0.000 1.246 765 L HN 0.699 nan 8.230 nan 0.000 0.463 766 S N 2.464 118.070 115.700 -0.156 0.000 2.492 766 S HA 0.228 4.715 4.470 0.028 0.000 0.218 766 S C 0.609 175.104 174.600 -0.176 0.000 1.016 766 S CA -0.063 58.090 58.200 -0.079 0.000 0.916 766 S CB 0.078 63.287 63.200 0.015 0.000 0.791 766 S HN 0.667 nan 8.310 nan 0.000 0.513 767 Q N -0.059 119.591 119.800 -0.251 0.000 2.435 767 Q HA 0.702 5.058 4.340 0.028 0.000 0.282 767 Q C -2.012 173.698 176.000 -0.483 0.000 1.020 767 Q CA -0.356 55.179 55.803 -0.446 0.000 0.820 767 Q CB 1.858 30.202 28.738 -0.657 0.000 1.436 767 Q HN 0.430 nan 8.270 nan 0.000 0.395 768 M N 1.731 120.913 119.600 -0.697 0.000 2.378 768 M HA 0.580 5.076 4.480 0.028 0.000 0.289 768 M C -1.490 174.445 176.300 -0.609 0.000 1.136 768 M CA -0.420 54.536 55.300 -0.573 0.000 0.917 768 M CB 2.185 34.428 32.600 -0.594 0.000 1.669 768 M HN 0.449 nan 8.290 nan 0.000 0.461 769 W N 3.451 124.518 121.300 -0.388 0.000 2.844 769 W HA 0.674 5.351 4.660 0.028 0.000 0.340 769 W C -1.292 175.029 176.519 -0.330 0.000 1.093 769 W CA -0.709 56.465 57.345 -0.284 0.000 1.212 769 W CB 1.817 31.148 29.460 -0.214 0.000 1.422 769 W HN 0.501 nan 8.180 nan 0.000 0.515 770 I N 2.884 123.453 120.570 -0.003 0.000 2.411 770 I HA 0.419 4.606 4.170 0.028 0.000 0.284 770 I C 0.791 176.901 176.117 -0.012 0.000 1.012 770 I CA -0.009 61.248 61.300 -0.071 0.000 1.119 770 I CB 1.090 39.016 38.000 -0.124 0.000 1.261 770 I HN 0.714 nan 8.210 nan 0.000 0.448 771 G N 5.998 114.787 108.800 -0.019 0.000 2.550 771 G HA2 -0.333 3.644 3.960 0.028 0.000 0.277 771 G HA3 -0.333 3.644 3.960 0.028 0.000 0.277 771 G C 0.301 175.223 174.900 0.036 0.000 1.190 771 G CA 0.622 45.716 45.100 -0.010 0.000 0.971 771 G HN 0.846 nan 8.290 nan 0.000 0.559 772 D N 0.522 120.952 120.400 0.049 0.000 2.342 772 D HA 0.179 4.836 4.640 0.028 0.000 0.221 772 D C 0.722 177.153 176.300 0.218 0.000 1.101 772 D CA 0.260 54.328 54.000 0.112 0.000 0.837 772 D CB 0.163 40.988 40.800 0.041 0.000 0.938 772 D HN 0.474 nan 8.370 nan 0.000 0.508 773 K N 1.325 121.811 120.400 0.142 0.000 2.285 773 K HA 0.175 4.512 4.320 0.028 0.000 0.286 773 K C -0.085 176.480 176.600 -0.057 0.000 1.072 773 K CA -0.442 55.875 56.287 0.050 0.000 0.913 773 K CB 1.033 33.525 32.500 -0.014 0.000 1.067 773 K HN -0.001 nan 8.250 nan 0.000 0.479 774 K N 2.571 122.838 120.400 -0.222 0.000 2.350 774 K HA -0.005 4.332 4.320 0.028 0.000 0.279 774 K C 1.094 177.469 176.600 -0.375 0.000 1.027 774 K CA -0.082 55.834 56.287 -0.617 0.000 0.969 774 K CB 0.818 32.981 32.500 -0.562 0.000 0.954 774 K HN 0.419 nan 8.250 nan 0.000 0.474 775 Q N 1.574 121.124 119.800 -0.417 0.000 2.339 775 Q HA 0.127 4.483 4.340 0.028 0.000 0.205 775 Q C 0.243 176.143 176.000 -0.168 0.000 0.925 775 Q CA 0.735 56.423 55.803 -0.191 0.000 0.898 775 Q CB 0.308 28.990 28.738 -0.093 0.000 1.013 775 Q HN 0.495 nan 8.270 nan 0.000 0.504 776 L N 0.384 121.444 121.223 -0.272 0.000 2.342 776 L HA 0.373 4.730 4.340 0.028 0.000 0.271 776 L C 1.024 177.755 176.870 -0.231 0.000 1.008 776 L CA -0.459 54.248 54.840 -0.221 0.000 0.818 776 L CB 1.592 43.520 42.059 -0.218 0.000 1.296 776 L HN -0.098 nan 8.230 nan 0.000 0.427 777 L N 0.311 121.394 121.223 -0.233 0.000 2.408 777 L HA 0.151 4.508 4.340 0.028 0.000 0.215 777 L C 0.791 177.540 176.870 -0.202 0.000 1.081 777 L CA 0.560 55.268 54.840 -0.219 0.000 0.840 777 L CB 0.238 42.150 42.059 -0.245 0.000 1.002 777 L HN 0.794 nan 8.230 nan 0.000 0.468 778 T N -3.147 111.265 114.554 -0.236 0.000 2.903 778 T HA 0.540 4.906 4.350 0.028 0.000 0.299 778 T C -2.860 171.763 174.700 -0.128 0.000 1.093 778 T CA -2.042 59.965 62.100 -0.154 0.000 1.002 778 T CB 2.464 71.256 68.868 -0.126 0.000 1.127 778 T HN -0.315 nan 8.240 nan 0.000 0.488 779 P HA 0.260 nan 4.420 nan 0.000 0.271 779 P C -0.679 176.580 177.300 -0.069 0.000 1.244 779 P CA -0.715 62.348 63.100 -0.062 0.000 0.793 779 P CB 0.287 31.973 31.700 -0.024 0.000 0.984 780 L N 2.707 123.923 121.223 -0.012 0.000 2.295 780 L HA 0.304 4.660 4.340 0.028 0.000 0.288 780 L C -0.005 176.830 176.870 -0.057 0.000 1.079 780 L CA 0.341 55.212 54.840 0.051 0.000 0.830 780 L CB -0.685 41.506 42.059 0.219 0.000 1.200 780 L HN 0.310 nan 8.230 nan 0.000 0.438 781 R N 2.216 122.596 120.500 -0.200 0.000 2.867 781 R HA 0.561 4.917 4.340 0.028 0.000 0.268 781 R C -0.952 175.229 176.300 -0.197 0.000 1.014 781 R CA -0.986 54.859 56.100 -0.425 0.000 0.946 781 R CB 0.764 30.485 30.300 -0.964 0.000 1.208 781 R HN 0.465 nan 8.270 nan 0.000 0.477 782 D N 0.871 121.209 120.400 -0.104 0.000 2.400 782 D HA 0.064 4.721 4.640 0.028 0.000 0.238 782 D C -0.522 175.367 176.300 -0.685 0.000 1.157 782 D CA 0.407 54.193 54.000 -0.357 0.000 0.889 782 D CB 0.619 41.149 40.800 -0.451 0.000 1.199 782 D HN 0.285 nan 8.370 nan 0.000 0.436 783 Q N 1.183 120.396 119.800 -0.980 0.000 2.305 783 Q HA 0.356 4.713 4.340 0.028 0.000 0.271 783 Q C -1.319 173.929 176.000 -1.252 0.000 1.046 783 Q CA -0.619 54.641 55.803 -0.905 0.000 0.798 783 Q CB 0.898 29.341 28.738 -0.491 0.000 1.286 783 Q HN 0.587 nan 8.270 nan 0.000 0.435 784 F N 0.761 120.321 119.950 -0.651 0.000 2.729 784 F HA 0.216 4.760 4.527 0.028 0.000 0.315 784 F C 0.545 175.900 175.800 -0.742 0.000 1.102 784 F CA -0.249 57.253 58.000 -0.829 0.000 1.204 784 F CB 1.633 39.800 39.000 -1.387 0.000 1.052 784 F HN 0.484 nan 8.300 nan 0.000 0.551 785 T N -0.798 113.437 114.554 -0.532 0.000 2.901 785 T HA 0.762 5.129 4.350 0.028 0.000 0.293 785 T C -0.630 173.823 174.700 -0.411 0.000 1.084 785 T CA -0.935 60.796 62.100 -0.615 0.000 1.008 785 T CB 2.844 71.288 68.868 -0.708 0.000 1.170 785 T HN 0.257 nan 8.240 nan 0.000 0.509 786 R N 0.207 120.513 120.500 -0.325 0.000 2.808 786 R HA 0.787 5.144 4.340 0.028 0.000 0.272 786 R C -0.767 175.572 176.300 0.065 0.000 0.995 786 R CA -1.237 54.792 56.100 -0.117 0.000 0.917 786 R CB 1.519 31.756 30.300 -0.105 0.000 1.217 786 R HN 0.826 nan 8.270 nan 0.000 0.471 787 A N 2.786 125.628 122.820 0.038 0.000 2.491 787 A HA 0.319 4.655 4.320 0.028 0.000 0.261 787 A C -2.100 175.538 177.584 0.091 0.000 1.101 787 A CA -1.350 50.711 52.037 0.040 0.000 0.772 787 A CB -0.418 18.556 19.000 -0.044 0.000 1.043 787 A HN 0.502 nan 8.150 nan 0.000 0.501 788 P HA 0.163 nan 4.420 nan 0.000 0.264 788 P C -0.237 177.170 177.300 0.177 0.000 1.193 788 P CA 0.284 63.535 63.100 0.252 0.000 0.763 788 P CB 0.339 32.224 31.700 0.309 0.000 0.810 789 L N 2.161 123.455 121.223 0.118 0.000 2.479 789 L HA 0.210 4.567 4.340 0.028 0.000 0.248 789 L C 1.701 178.584 176.870 0.022 0.000 1.205 789 L CA -0.557 54.294 54.840 0.019 0.000 0.817 789 L CB -0.056 41.934 42.059 -0.117 0.000 1.162 789 L HN 0.276 nan 8.230 nan 0.000 0.486 790 D N 0.391 120.744 120.400 -0.079 0.000 2.133 790 D HA -0.171 4.486 4.640 0.028 0.000 0.195 790 D C 1.665 177.892 176.300 -0.121 0.000 0.997 790 D CA 1.547 55.422 54.000 -0.208 0.000 0.840 790 D CB -0.082 40.520 40.800 -0.330 0.000 0.947 790 D HN 0.503 nan 8.370 nan 0.000 0.452 791 N N 1.008 119.655 118.700 -0.088 0.000 2.381 791 N HA -0.106 4.651 4.740 0.028 0.000 0.182 791 N C 1.157 176.680 175.510 0.022 0.000 1.025 791 N CA 0.664 53.692 53.050 -0.036 0.000 0.888 791 N CB -0.167 38.290 38.487 -0.049 0.000 0.965 791 N HN 0.254 nan 8.380 nan 0.000 0.438 792 D N 0.322 120.748 120.400 0.043 0.000 2.194 792 D HA 0.056 4.713 4.640 0.028 0.000 0.204 792 D C 1.947 178.287 176.300 0.067 0.000 0.964 792 D CA 0.393 54.447 54.000 0.090 0.000 0.846 792 D CB 0.174 41.099 40.800 0.208 0.000 0.962 792 D HN 0.302 nan 8.370 nan 0.000 0.490 793 I N 0.110 120.708 120.570 0.047 0.000 2.494 793 I HA 0.065 4.252 4.170 0.028 0.000 0.250 793 I C 1.858 177.992 176.117 0.029 0.000 1.112 793 I CA 0.643 61.959 61.300 0.025 0.000 1.438 793 I CB -0.274 37.712 38.000 -0.024 0.000 1.111 793 I HN 0.053 nan 8.210 nan 0.000 0.431 794 G N 1.323 110.153 108.800 0.050 0.000 2.591 794 G HA2 -0.365 3.612 3.960 0.028 0.000 0.298 794 G HA3 -0.365 3.612 3.960 0.028 0.000 0.298 794 G C 0.809 175.855 174.900 0.244 0.000 1.195 794 G CA 1.040 46.230 45.100 0.150 0.000 0.989 794 G HN 0.571 nan 8.290 nan 0.000 0.551 795 V N -1.828 118.180 119.914 0.157 0.000 3.647 795 V HA 0.590 4.727 4.120 0.028 0.000 0.279 795 V C 1.353 177.468 176.094 0.035 0.000 1.314 795 V CA 1.322 63.671 62.300 0.081 0.000 1.125 795 V CB 0.064 31.851 31.823 -0.060 0.000 0.907 795 V HN 1.184 nan 8.190 nan 0.000 0.434 796 S N 1.245 116.963 115.700 0.030 0.000 2.558 796 S HA 0.264 4.751 4.470 0.028 0.000 0.288 796 S C -0.051 174.558 174.600 0.015 0.000 1.318 796 S CA 0.182 58.387 58.200 0.008 0.000 1.056 796 S CB 0.104 63.303 63.200 -0.001 0.000 0.853 796 S HN 0.805 nan 8.310 nan 0.000 0.505 797 E N 1.101 121.306 120.200 0.009 0.000 2.366 797 E HA 0.437 4.804 4.350 0.028 0.000 0.278 797 E C 0.612 177.222 176.600 0.015 0.000 0.923 797 E CA -0.486 55.924 56.400 0.017 0.000 0.761 797 E CB 1.542 31.251 29.700 0.015 0.000 1.231 797 E HN 0.603 nan 8.360 nan 0.000 0.443 798 A N 1.235 124.070 122.820 0.025 0.000 1.915 798 A HA -0.275 4.062 4.320 0.028 0.000 0.220 798 A C 2.026 179.620 177.584 0.018 0.000 1.198 798 A CA 2.974 55.025 52.037 0.024 0.000 0.647 798 A CB -1.085 17.934 19.000 0.032 0.000 0.825 798 A HN 0.694 nan 8.150 nan 0.000 0.456 799 T N -4.427 110.137 114.554 0.016 0.000 3.088 799 T HA 0.139 4.506 4.350 0.028 0.000 0.259 799 T C 0.799 175.499 174.700 -0.000 0.000 1.122 799 T CA 0.496 62.602 62.100 0.010 0.000 1.095 799 T CB -0.017 68.859 68.868 0.013 0.000 0.930 799 T HN 0.291 nan 8.240 nan 0.000 0.508 800 R N 0.994 121.492 120.500 -0.004 0.000 3.101 800 R HA 0.298 4.654 4.340 0.028 0.000 0.242 800 R C -1.405 174.886 176.300 -0.016 0.000 1.831 800 R CA -0.622 55.469 56.100 -0.015 0.000 1.321 800 R CB 0.554 30.838 30.300 -0.026 0.000 1.512 800 R HN 0.245 nan 8.270 nan 0.000 0.568 801 I N 1.668 122.231 120.570 -0.013 0.000 2.692 801 I HA -0.043 4.144 4.170 0.028 0.000 0.284 801 I C 0.753 176.853 176.117 -0.027 0.000 1.159 801 I CA -0.210 61.081 61.300 -0.014 0.000 1.423 801 I CB 0.374 38.368 38.000 -0.010 0.000 1.380 801 I HN 0.289 nan 8.210 nan 0.000 0.580 802 D N 8.644 129.025 120.400 -0.031 0.000 2.472 802 D HA 0.324 4.980 4.640 0.028 0.000 0.234 802 D C -1.904 174.356 176.300 -0.066 0.000 1.088 802 D CA -2.218 51.754 54.000 -0.047 0.000 0.882 802 D CB 1.563 42.338 40.800 -0.042 0.000 1.037 802 D HN 0.169 nan 8.370 nan 0.000 0.520 803 P HA -0.088 nan 4.420 nan 0.000 0.228 803 P C 0.739 177.952 177.300 -0.144 0.000 1.151 803 P CA 0.667 63.712 63.100 -0.092 0.000 0.770 803 P CB 0.285 31.939 31.700 -0.076 0.000 0.786 804 N N -0.185 118.425 118.700 -0.150 0.000 2.353 804 N HA 0.080 4.836 4.740 0.028 0.000 0.185 804 N C 0.331 175.666 175.510 -0.293 0.000 1.098 804 N CA -0.084 52.833 53.050 -0.221 0.000 0.872 804 N CB -0.320 38.063 38.487 -0.173 0.000 0.970 804 N HN -0.098 nan 8.380 nan 0.000 0.467 805 A N -0.218 122.475 122.820 -0.212 0.000 2.477 805 A HA 0.091 4.428 4.320 0.028 0.000 0.246 805 A C 0.590 177.990 177.584 -0.307 0.000 1.078 805 A CA -0.378 51.539 52.037 -0.200 0.000 0.770 805 A CB -0.182 18.767 19.000 -0.085 0.000 1.011 805 A HN 0.561 nan 8.150 nan 0.000 0.494 806 W N 1.936 122.990 121.300 -0.410 0.000 2.305 806 W HA -0.209 4.467 4.660 0.027 0.000 0.308 806 W C 2.194 178.181 176.519 -0.888 0.000 1.226 806 W CA 1.779 58.631 57.345 -0.821 0.000 1.253 806 W CB -0.399 28.390 29.460 -1.117 0.000 1.146 806 W HN 0.571 nan 8.180 nan 0.000 0.507 807 V N 0.952 120.747 119.914 -0.199 0.000 2.380 807 V HA -0.297 3.840 4.120 0.028 0.000 0.251 807 V C 2.196 178.370 176.094 0.133 0.000 1.063 807 V CA 2.226 64.608 62.300 0.136 0.000 1.055 807 V CB -0.363 31.576 31.823 0.194 0.000 0.657 807 V HN 0.109 nan 8.190 nan 0.000 0.455 808 E N -0.115 120.076 120.200 -0.014 0.000 2.072 808 E HA -0.188 4.179 4.350 0.028 0.000 0.191 808 E C 2.337 178.923 176.600 -0.023 0.000 0.985 808 E CA 1.171 57.566 56.400 -0.009 0.000 0.801 808 E CB -0.379 29.289 29.700 -0.055 0.000 0.750 808 E HN 0.622 nan 8.360 nan 0.000 0.452 809 R N -0.053 120.363 120.500 -0.140 0.000 2.083 809 R HA -0.131 4.226 4.340 0.028 0.000 0.237 809 R C 2.347 178.598 176.300 -0.083 0.000 1.137 809 R CA 1.467 57.450 56.100 -0.195 0.000 0.951 809 R CB -0.230 29.827 30.300 -0.405 0.000 0.851 809 R HN 0.277 nan 8.270 nan 0.000 0.434 810 W N 1.339 122.608 121.300 -0.051 0.000 2.381 810 W HA -0.059 4.617 4.660 0.028 0.000 0.301 810 W C 2.000 178.477 176.519 -0.071 0.000 1.205 810 W CA 0.607 57.818 57.345 -0.224 0.000 1.285 810 W CB -0.670 28.789 29.460 -0.002 0.000 1.133 810 W HN 0.126 nan 8.180 nan 0.000 0.521 811 K N 0.213 120.836 120.400 0.372 0.000 2.002 811 K HA -0.113 4.223 4.320 0.028 0.000 0.209 811 K C 2.284 178.949 176.600 0.108 0.000 1.048 811 K CA 1.863 58.325 56.287 0.292 0.000 0.930 811 K CB -0.598 32.022 32.500 0.201 0.000 0.714 811 K HN -0.024 nan 8.250 nan 0.000 0.438 812 A N 1.169 124.025 122.820 0.060 0.000 1.972 812 A HA -0.089 4.247 4.320 0.028 0.000 0.219 812 A C 2.196 179.779 177.584 -0.002 0.000 1.169 812 A CA 1.785 53.837 52.037 0.025 0.000 0.635 812 A CB -0.517 18.486 19.000 0.005 0.000 0.810 812 A HN 0.354 nan 8.150 nan 0.000 0.446 813 A N -1.892 120.898 122.820 -0.049 0.000 2.206 813 A HA 0.399 4.736 4.320 0.028 0.000 0.211 813 A C 1.790 179.310 177.584 -0.107 0.000 1.158 813 A CA 1.235 53.247 52.037 -0.042 0.000 0.761 813 A CB -0.864 18.068 19.000 -0.114 0.000 0.801 813 A HN 1.884 nan 8.150 nan 0.000 0.473 814 G N -1.565 107.066 108.800 -0.282 0.000 2.132 814 G HA2 -0.295 3.681 3.960 0.028 0.000 0.234 814 G HA3 -0.295 3.681 3.960 0.028 0.000 0.234 814 G C 0.552 175.411 174.900 -0.068 0.000 0.989 814 G CA 0.639 45.311 45.100 -0.713 0.000 0.676 814 G HN 0.750 nan 8.290 nan 0.000 0.522 815 H N -1.506 117.523 119.070 -0.068 0.000 2.387 815 H HA -0.076 4.497 4.556 0.028 0.000 0.299 815 H C 2.138 177.402 175.328 -0.107 0.000 1.090 815 H CA 1.572 57.586 56.048 -0.057 0.000 1.332 815 H CB 0.096 29.768 29.762 -0.150 0.000 1.386 815 H HN 0.613 nan 8.280 nan 0.000 0.516 816 Y N 0.182 120.593 120.300 0.185 0.000 2.519 816 Y HA -0.028 4.538 4.550 0.028 0.000 0.287 816 Y C 1.866 177.840 175.900 0.123 0.000 1.128 816 Y CA 0.488 58.661 58.100 0.122 0.000 1.282 816 Y CB 0.436 38.953 38.460 0.094 0.000 1.027 816 Y HN 0.155 nan 8.280 nan 0.000 0.551 817 Q N -0.242 119.706 119.800 0.247 0.000 2.217 817 Q HA 0.330 4.687 4.340 0.028 0.000 0.217 817 Q C 0.389 176.568 176.000 0.298 0.000 0.844 817 Q CA -0.336 55.613 55.803 0.245 0.000 0.957 817 Q CB 0.712 29.584 28.738 0.224 0.000 1.127 817 Q HN 0.267 nan 8.270 nan 0.000 0.503 818 A N 2.169 125.181 122.820 0.321 0.000 2.511 818 A HA 0.076 4.412 4.320 0.028 0.000 0.242 818 A C -0.119 177.776 177.584 0.517 0.000 1.069 818 A CA 0.077 52.378 52.037 0.440 0.000 0.763 818 A CB 0.065 19.354 19.000 0.482 0.000 1.001 818 A HN 0.283 nan 8.150 nan 0.000 0.498 819 E N 1.817 122.251 120.200 0.391 0.000 2.171 819 E HA 0.601 4.967 4.350 0.028 0.000 0.271 819 E C -0.312 176.271 176.600 -0.029 0.000 0.916 819 E CA -0.774 55.765 56.400 0.232 0.000 0.774 819 E CB 1.563 31.359 29.700 0.161 0.000 1.128 819 E HN 0.668 nan 8.360 nan 0.000 0.403 820 A N 2.542 125.197 122.820 -0.274 0.000 2.450 820 A HA 0.514 4.851 4.320 0.028 0.000 0.255 820 A C -0.109 177.316 177.584 -0.265 0.000 1.096 820 A CA -0.176 51.405 52.037 -0.760 0.000 0.778 820 A CB 0.344 18.974 19.000 -0.616 0.000 1.031 820 A HN 0.711 nan 8.150 nan 0.000 0.494 821 A N 2.534 125.198 122.820 -0.259 0.000 2.318 821 A HA 0.596 4.932 4.320 0.028 0.000 0.324 821 A C -0.525 176.993 177.584 -0.110 0.000 1.170 821 A CA -0.565 51.411 52.037 -0.102 0.000 0.810 821 A CB 0.633 19.595 19.000 -0.064 0.000 1.198 821 A HN 1.216 nan 8.150 nan 0.000 0.484 822 L N 3.403 124.552 121.223 -0.123 0.000 2.313 822 L HA 0.351 4.708 4.340 0.028 0.000 0.282 822 L C 0.418 177.168 176.870 -0.200 0.000 1.092 822 L CA 0.207 54.874 54.840 -0.288 0.000 0.831 822 L CB 0.235 42.146 42.059 -0.246 0.000 1.159 822 L HN 0.780 nan 8.230 nan 0.000 0.442 823 L N 3.460 124.547 121.223 -0.228 0.000 2.425 823 L HA 0.287 4.644 4.340 0.028 0.000 0.215 823 L C 0.546 177.353 176.870 -0.105 0.000 1.065 823 L CA 0.137 54.907 54.840 -0.118 0.000 0.842 823 L CB 0.019 42.040 42.059 -0.063 0.000 1.033 823 L HN 0.731 nan 8.230 nan 0.000 0.474 824 Q N -0.550 119.157 119.800 -0.154 0.000 2.472 824 Q HA 0.335 4.692 4.340 0.028 0.000 0.281 824 Q C -2.072 173.865 176.000 -0.105 0.000 0.997 824 Q CA -0.576 55.169 55.803 -0.095 0.000 0.828 824 Q CB 3.086 31.797 28.738 -0.045 0.000 1.443 824 Q HN 0.038 nan 8.270 nan 0.000 0.390 825 C N 2.875 122.162 119.300 -0.022 0.000 2.982 825 C HA 0.696 5.172 4.460 0.028 0.000 0.372 825 C C -1.130 173.964 174.990 0.174 0.000 1.061 825 C CA 0.544 59.597 59.018 0.059 0.000 1.309 825 C CB 0.533 28.307 27.740 0.057 0.000 1.766 825 C HN 0.818 nan 8.230 nan 0.000 0.504 826 T N 2.352 116.939 114.554 0.054 0.000 2.903 826 T HA 0.853 5.220 4.350 0.028 0.000 0.299 826 T C -0.588 173.833 174.700 -0.464 0.000 1.093 826 T CA -0.181 61.884 62.100 -0.059 0.000 1.002 826 T CB 1.883 70.722 68.868 -0.048 0.000 1.127 826 T HN 1.599 nan 8.240 nan 0.000 0.488 827 A N 2.451 124.777 122.820 -0.824 0.000 2.287 827 A HA 0.724 5.061 4.320 0.028 0.000 0.317 827 A C -0.710 176.593 177.584 -0.468 0.000 1.220 827 A CA -0.642 50.808 52.037 -0.979 0.000 0.835 827 A CB 0.709 18.590 19.000 -1.864 0.000 1.180 827 A HN 0.867 nan 8.150 nan 0.000 0.500 828 D N 0.842 121.040 120.400 -0.338 0.000 2.490 828 D HA 0.614 5.271 4.640 0.028 0.000 0.232 828 D C -0.787 175.401 176.300 -0.186 0.000 1.053 828 D CA 0.107 53.983 54.000 -0.207 0.000 0.914 828 D CB 2.366 43.080 40.800 -0.145 0.000 1.431 828 D HN 0.418 nan 8.370 nan 0.000 0.483 829 T N 1.327 115.803 114.554 -0.131 0.000 2.792 829 T HA 0.556 4.922 4.350 0.028 0.000 0.280 829 T C 0.379 175.033 174.700 -0.076 0.000 0.990 829 T CA -0.561 61.475 62.100 -0.108 0.000 0.960 829 T CB 0.959 69.772 68.868 -0.093 0.000 0.939 829 T HN 0.119 nan 8.240 nan 0.000 0.439 830 L N 1.167 122.347 121.223 -0.072 0.000 2.421 830 L HA 0.731 5.087 4.340 0.028 0.000 0.267 830 L C 1.879 178.727 176.870 -0.037 0.000 1.036 830 L CA -1.351 53.458 54.840 -0.051 0.000 0.829 830 L CB 0.312 42.340 42.059 -0.051 0.000 1.437 830 L HN 0.685 nan 8.230 nan 0.000 0.488 831 A N 0.033 122.837 122.820 -0.026 0.000 1.968 831 A HA -0.121 4.215 4.320 0.028 0.000 0.217 831 A C 1.322 178.899 177.584 -0.012 0.000 1.169 831 A CA 1.667 53.695 52.037 -0.014 0.000 0.638 831 A CB -0.474 18.521 19.000 -0.009 0.000 0.812 831 A HN 0.909 nan 8.150 nan 0.000 0.446 832 D N -2.128 118.260 120.400 -0.020 0.000 2.474 832 D HA 0.506 5.163 4.640 0.028 0.000 0.213 832 D C 0.410 176.689 176.300 -0.035 0.000 1.120 832 D CA 0.828 54.816 54.000 -0.019 0.000 0.836 832 D CB 0.115 40.904 40.800 -0.017 0.000 1.019 832 D HN 0.425 nan 8.370 nan 0.000 0.507 833 A N -0.326 122.463 122.820 -0.051 0.000 2.557 833 A HA 0.632 4.969 4.320 0.028 0.000 0.292 833 A C -1.748 175.774 177.584 -0.103 0.000 1.139 833 A CA -0.679 51.310 52.037 -0.080 0.000 0.665 833 A CB 1.440 20.389 19.000 -0.086 0.000 1.285 833 A HN -0.033 nan 8.150 nan 0.000 0.433 834 V N 0.439 120.266 119.914 -0.144 0.000 2.495 834 V HA 0.607 4.744 4.120 0.028 0.000 0.298 834 V C -1.051 174.919 176.094 -0.206 0.000 1.031 834 V CA -0.361 61.829 62.300 -0.184 0.000 0.871 834 V CB 1.326 33.028 31.823 -0.202 0.000 0.988 834 V HN 0.782 nan 8.190 nan 0.000 0.432 835 L N 6.443 127.536 121.223 -0.216 0.000 2.316 835 L HA 0.619 4.975 4.340 0.028 0.000 0.280 835 L C -0.822 175.875 176.870 -0.288 0.000 1.006 835 L CA 0.012 54.731 54.840 -0.202 0.000 0.836 835 L CB 1.018 42.993 42.059 -0.140 0.000 1.221 835 L HN 0.412 nan 8.230 nan 0.000 0.418 836 I N 4.115 124.499 120.570 -0.309 0.000 2.336 836 I HA 0.401 4.588 4.170 0.028 0.000 0.292 836 I C 0.069 176.131 176.117 -0.091 0.000 0.991 836 I CA -0.189 60.865 61.300 -0.410 0.000 1.227 836 I CB 1.472 38.920 38.000 -0.920 0.000 1.366 836 I HN 0.531 nan 8.210 nan 0.000 0.466 837 T N 5.284 119.778 114.554 -0.100 0.000 2.792 837 T HA 0.627 4.994 4.350 0.028 0.000 0.280 837 T C 0.176 174.899 174.700 0.040 0.000 0.990 837 T CA -0.502 61.600 62.100 0.003 0.000 0.960 837 T CB 1.604 70.448 68.868 -0.040 0.000 0.939 837 T HN 0.774 nan 8.240 nan 0.000 0.439 838 T N -0.298 114.322 114.554 0.109 0.000 2.901 838 T HA 0.896 5.263 4.350 0.028 0.000 0.293 838 T C -1.183 173.543 174.700 0.043 0.000 1.084 838 T CA -1.079 61.058 62.100 0.062 0.000 1.008 838 T CB 2.066 71.040 68.868 0.176 0.000 1.170 838 T HN 0.780 nan 8.240 nan 0.000 0.509 839 A N 1.335 124.090 122.820 -0.109 0.000 2.488 839 A HA 0.744 5.080 4.320 0.028 0.000 0.295 839 A C -1.568 175.899 177.584 -0.195 0.000 1.045 839 A CA -0.802 51.231 52.037 -0.007 0.000 0.703 839 A CB 0.887 19.898 19.000 0.018 0.000 1.271 839 A HN 1.014 nan 8.150 nan 0.000 0.400 840 H N 0.029 119.137 119.070 0.063 0.000 2.895 840 H HA 0.796 5.369 4.556 0.028 0.000 0.373 840 H C -0.059 175.263 175.328 -0.009 0.000 1.174 840 H CA 0.224 56.218 56.048 -0.090 0.000 1.144 840 H CB 2.133 31.699 29.762 -0.327 0.000 1.793 840 H HN 1.022 nan 8.280 nan 0.000 0.551 841 A N 1.723 124.547 122.820 0.005 0.000 2.342 841 A HA 0.453 4.790 4.320 0.028 0.000 0.323 841 A C -1.282 176.294 177.584 -0.013 0.000 1.125 841 A CA -0.693 51.419 52.037 0.125 0.000 0.785 841 A CB 1.060 20.111 19.000 0.085 0.000 1.221 841 A HN 0.581 nan 8.150 nan 0.000 0.463 842 W N 1.975 123.405 121.300 0.216 0.000 2.429 842 W HA 0.434 5.110 4.660 0.028 0.000 0.314 842 W C -0.364 176.201 176.519 0.077 0.000 1.062 842 W CA -0.171 57.301 57.345 0.211 0.000 1.211 842 W CB 1.706 31.363 29.460 0.329 0.000 1.305 842 W HN 0.735 nan 8.180 nan 0.000 0.476 843 Q N 1.885 121.853 119.800 0.281 0.000 2.495 843 Q HA 0.396 4.752 4.340 0.028 0.000 0.287 843 Q C -1.112 175.039 176.000 0.252 0.000 1.078 843 Q CA -0.905 55.011 55.803 0.188 0.000 0.793 843 Q CB 3.734 32.534 28.738 0.104 0.000 1.459 843 Q HN 0.442 nan 8.270 nan 0.000 0.422 844 H N 1.421 120.539 119.070 0.081 0.000 3.096 844 H HA 0.076 4.649 4.556 0.028 0.000 0.335 844 H C -0.829 174.536 175.328 0.061 0.000 0.990 844 H CA -0.009 56.091 56.048 0.086 0.000 1.393 844 H CB 1.086 30.908 29.762 0.099 0.000 1.742 844 H HN 0.807 nan 8.280 nan 0.000 0.501 845 Q N 3.126 122.663 119.800 -0.437 0.000 2.435 845 Q HA -0.245 4.112 4.340 0.028 0.000 0.312 845 Q C 0.913 176.853 176.000 -0.100 0.000 1.333 845 Q CA 1.114 56.747 55.803 -0.283 0.000 0.883 845 Q CB -1.321 27.225 28.738 -0.320 0.000 1.170 845 Q HN 1.188 nan 8.270 nan 0.000 0.443 846 G N -0.323 108.449 108.800 -0.046 0.000 2.205 846 G HA2 -0.363 3.614 3.960 0.028 0.000 0.261 846 G HA3 -0.363 3.614 3.960 0.028 0.000 0.261 846 G C 0.039 174.947 174.900 0.013 0.000 0.980 846 G CA 0.638 45.732 45.100 -0.009 0.000 0.632 846 G HN 0.353 nan 8.290 nan 0.000 0.533 847 K N 1.524 121.941 120.400 0.028 0.000 2.183 847 K HA 0.628 4.965 4.320 0.028 0.000 0.274 847 K C 0.035 176.660 176.600 0.041 0.000 1.009 847 K CA -0.093 56.218 56.287 0.040 0.000 0.888 847 K CB 0.859 33.394 32.500 0.059 0.000 1.078 847 K HN -0.012 nan 8.250 nan 0.000 0.459 848 T N 6.500 121.070 114.554 0.027 0.000 2.739 848 T HA 0.203 4.569 4.350 0.028 0.000 0.298 848 T C 1.164 175.836 174.700 -0.048 0.000 0.929 848 T CA -0.405 61.712 62.100 0.027 0.000 1.014 848 T CB 0.153 69.052 68.868 0.052 0.000 0.914 848 T HN 0.535 nan 8.240 nan 0.000 0.509 849 L N 2.527 123.649 121.223 -0.168 0.000 2.023 849 L HA 0.260 4.616 4.340 0.028 0.000 0.205 849 L C 0.110 176.591 176.870 -0.648 0.000 1.073 849 L CA 1.176 55.662 54.840 -0.590 0.000 0.745 849 L CB -0.138 41.220 42.059 -1.167 0.000 0.900 849 L HN 0.505 nan 8.230 nan 0.000 0.435 850 F N -1.261 118.672 119.950 -0.029 0.000 2.601 850 F HA 0.566 5.110 4.527 0.028 0.000 0.309 850 F C -0.517 175.407 175.800 0.207 0.000 1.089 850 F CA -0.833 57.091 58.000 -0.127 0.000 0.940 850 F CB 2.073 40.620 39.000 -0.755 0.000 1.273 850 F HN -0.305 nan 8.300 nan 0.000 0.450 851 I N 1.631 122.430 120.570 0.381 0.000 2.447 851 I HA 0.331 4.518 4.170 0.028 0.000 0.287 851 I C -0.706 175.672 176.117 0.435 0.000 1.023 851 I CA -0.470 61.072 61.300 0.404 0.000 1.083 851 I CB 2.068 40.218 38.000 0.251 0.000 1.245 851 I HN 0.509 nan 8.210 nan 0.000 0.434 852 S N 6.788 122.853 115.700 0.608 0.000 2.456 852 S HA 0.576 5.063 4.470 0.028 0.000 0.316 852 S C -0.591 174.251 174.600 0.404 0.000 1.089 852 S CA -0.661 57.868 58.200 0.549 0.000 1.101 852 S CB 0.617 64.284 63.200 0.777 0.000 0.995 852 S HN 0.520 nan 8.310 nan 0.000 0.468 853 R N 3.689 124.350 120.500 0.269 0.000 2.437 853 R HA 0.578 4.935 4.340 0.028 0.000 0.310 853 R C -0.704 175.659 176.300 0.106 0.000 0.955 853 R CA -0.815 55.391 56.100 0.177 0.000 0.851 853 R CB 1.784 32.164 30.300 0.133 0.000 1.161 853 R HN 0.573 nan 8.270 nan 0.000 0.446 854 K N 0.792 121.238 120.400 0.077 0.000 2.495 854 K HA 0.510 4.846 4.320 0.028 0.000 0.268 854 K C -0.814 175.734 176.600 -0.086 0.000 1.008 854 K CA -0.980 55.269 56.287 -0.065 0.000 0.882 854 K CB 2.443 34.843 32.500 -0.166 0.000 1.443 854 K HN 0.646 nan 8.250 nan 0.000 0.447 855 T N -1.499 112.926 114.554 -0.215 0.000 2.933 855 T HA 0.569 4.936 4.350 0.028 0.000 0.305 855 T C -1.460 173.080 174.700 -0.267 0.000 1.092 855 T CA -0.743 61.276 62.100 -0.134 0.000 1.008 855 T CB 0.524 69.356 68.868 -0.060 0.000 1.102 855 T HN 0.440 nan 8.240 nan 0.000 0.469 856 Y N 0.921 121.185 120.300 -0.059 0.000 2.331 856 Y HA 0.661 5.228 4.550 0.028 0.000 0.334 856 Y C 0.455 176.273 175.900 -0.136 0.000 0.960 856 Y CA -1.086 56.986 58.100 -0.045 0.000 1.130 856 Y CB 1.985 40.442 38.460 -0.006 0.000 1.164 856 Y HN 0.675 nan 8.280 nan 0.000 0.458 857 R N 4.551 125.068 120.500 0.029 0.000 2.388 857 R HA 0.598 4.954 4.340 0.028 0.000 0.314 857 R C -1.608 174.625 176.300 -0.111 0.000 0.959 857 R CA -0.356 55.709 56.100 -0.058 0.000 0.851 857 R CB 0.596 30.871 30.300 -0.042 0.000 1.168 857 R HN 0.788 nan 8.270 nan 0.000 0.472 858 I N 5.062 125.500 120.570 -0.220 0.000 2.336 858 I HA 0.208 4.395 4.170 0.028 0.000 0.292 858 I C -0.071 175.904 176.117 -0.237 0.000 0.991 858 I CA -0.514 60.571 61.300 -0.358 0.000 1.227 858 I CB 1.366 38.958 38.000 -0.681 0.000 1.366 858 I HN 0.677 nan 8.210 nan 0.000 0.466 859 D N 4.465 124.765 120.400 -0.166 0.000 2.553 859 D HA 0.229 4.886 4.640 0.028 0.000 0.249 859 D C 1.080 177.349 176.300 -0.052 0.000 1.062 859 D CA -0.639 53.306 54.000 -0.091 0.000 1.085 859 D CB 1.303 42.070 40.800 -0.056 0.000 1.350 859 D HN 0.507 nan 8.370 nan 0.000 0.575 860 G N -0.496 108.289 108.800 -0.027 0.000 2.485 860 G HA2 -0.272 3.705 3.960 0.028 0.000 0.221 860 G HA3 -0.272 3.705 3.960 0.028 0.000 0.221 860 G C 1.295 176.190 174.900 -0.007 0.000 1.115 860 G CA 1.516 46.612 45.100 -0.006 0.000 0.751 860 G HN 0.601 nan 8.290 nan 0.000 0.567 861 S N -0.638 115.052 115.700 -0.016 0.000 2.603 861 S HA 0.353 4.840 4.470 0.028 0.000 0.220 861 S C 1.931 176.555 174.600 0.040 0.000 0.967 861 S CA 0.915 59.108 58.200 -0.012 0.000 0.920 861 S CB -0.135 63.056 63.200 -0.015 0.000 0.773 861 S HN 1.572 nan 8.310 nan 0.000 0.529 862 G N 0.439 109.282 108.800 0.071 0.000 2.184 862 G HA2 -0.265 3.711 3.960 0.028 0.000 0.264 862 G HA3 -0.265 3.711 3.960 0.028 0.000 0.264 862 G C -0.143 174.865 174.900 0.180 0.000 0.975 862 G CA 0.297 45.505 45.100 0.180 0.000 0.642 862 G HN 0.632 nan 8.290 nan 0.000 0.536 863 Q N -0.396 119.456 119.800 0.087 0.000 2.259 863 Q HA 0.625 4.981 4.340 0.028 0.000 0.249 863 Q C 0.286 176.310 176.000 0.041 0.000 0.914 863 Q CA -0.143 55.723 55.803 0.105 0.000 0.904 863 Q CB 1.370 30.158 28.738 0.083 0.000 1.213 863 Q HN 0.431 nan 8.270 nan 0.000 0.428 864 M N 2.210 121.884 119.600 0.122 0.000 2.044 864 M HA 0.485 4.981 4.480 0.028 0.000 0.333 864 M C -1.393 175.019 176.300 0.187 0.000 1.004 864 M CA -0.516 54.828 55.300 0.072 0.000 0.954 864 M CB 0.888 33.538 32.600 0.083 0.000 1.468 864 M HN 0.705 nan 8.290 nan 0.000 0.414 865 A N 6.603 129.488 122.820 0.108 0.000 2.289 865 A HA 0.711 5.048 4.320 0.028 0.000 0.298 865 A C -0.819 176.812 177.584 0.079 0.000 1.208 865 A CA -0.512 51.588 52.037 0.105 0.000 0.845 865 A CB 0.154 19.188 19.000 0.057 0.000 1.125 865 A HN 0.914 nan 8.150 nan 0.000 0.517 866 I N 1.915 122.518 120.570 0.054 0.000 2.465 866 I HA 0.391 4.577 4.170 0.028 0.000 0.291 866 I C -0.205 175.800 176.117 -0.186 0.000 1.014 866 I CA -0.214 61.023 61.300 -0.105 0.000 1.093 866 I CB 2.552 40.516 38.000 -0.060 0.000 1.267 866 I HN 0.520 nan 8.210 nan 0.000 0.431 867 T N 5.322 119.717 114.554 -0.264 0.000 2.807 867 T HA 0.621 4.987 4.350 0.028 0.000 0.279 867 T C -0.474 174.023 174.700 -0.338 0.000 0.993 867 T CA -0.550 61.394 62.100 -0.260 0.000 0.970 867 T CB 1.812 70.625 68.868 -0.092 0.000 0.950 867 T HN 0.219 nan 8.240 nan 0.000 0.441 868 V N 3.235 122.837 119.914 -0.521 0.000 2.588 868 V HA 0.513 4.650 4.120 0.028 0.000 0.304 868 V C -0.852 175.098 176.094 -0.239 0.000 1.042 868 V CA -0.931 61.095 62.300 -0.457 0.000 0.877 868 V CB 2.083 33.372 31.823 -0.890 0.000 0.996 868 V HN 0.867 nan 8.190 nan 0.000 0.425 869 D N 3.401 123.821 120.400 0.032 0.000 2.505 869 D HA 0.480 5.136 4.640 0.028 0.000 0.250 869 D C -1.022 175.411 176.300 0.221 0.000 1.164 869 D CA -0.133 53.983 54.000 0.193 0.000 0.870 869 D CB 2.760 43.685 40.800 0.208 0.000 1.160 869 D HN 0.263 nan 8.370 nan 0.000 0.549 870 V N 2.223 122.307 119.914 0.283 0.000 2.513 870 V HA 0.274 4.411 4.120 0.028 0.000 0.299 870 V C 0.208 176.445 176.094 0.237 0.000 1.035 870 V CA -0.632 61.840 62.300 0.286 0.000 0.889 870 V CB 2.434 34.461 31.823 0.339 0.000 0.988 870 V HN 0.370 nan 8.190 nan 0.000 0.440 871 E N 2.512 122.832 120.200 0.200 0.000 2.171 871 E HA 0.607 4.974 4.350 0.028 0.000 0.271 871 E C -1.541 175.163 176.600 0.174 0.000 0.916 871 E CA -0.519 55.980 56.400 0.164 0.000 0.774 871 E CB 2.385 32.172 29.700 0.144 0.000 1.128 871 E HN 0.446 nan 8.360 nan 0.000 0.403 872 V N 2.504 122.525 119.914 0.179 0.000 2.407 872 V HA 0.336 4.472 4.120 0.028 0.000 0.291 872 V C 0.104 176.292 176.094 0.158 0.000 1.018 872 V CA -0.967 61.462 62.300 0.216 0.000 0.842 872 V CB 1.321 33.304 31.823 0.266 0.000 0.996 872 V HN 0.829 nan 8.190 nan 0.000 0.426 873 A N 3.696 126.572 122.820 0.093 0.000 2.566 873 A HA 0.224 4.561 4.320 0.028 0.000 0.245 873 A C 1.744 179.401 177.584 0.122 0.000 1.056 873 A CA 0.694 52.776 52.037 0.075 0.000 0.757 873 A CB 0.187 19.202 19.000 0.025 0.000 0.979 873 A HN 1.415 nan 8.150 nan 0.000 0.508 874 S N 1.529 117.296 115.700 0.112 0.000 2.402 874 S HA -0.214 4.273 4.470 0.028 0.000 0.233 874 S C 1.000 175.682 174.600 0.136 0.000 1.030 874 S CA 1.585 59.867 58.200 0.138 0.000 1.003 874 S CB -0.376 62.882 63.200 0.097 0.000 0.813 874 S HN 0.866 nan 8.310 nan 0.000 0.477 875 D N 0.210 120.663 120.400 0.089 0.000 2.328 875 D HA 0.159 4.816 4.640 0.028 0.000 0.221 875 D C 0.447 176.782 176.300 0.057 0.000 1.072 875 D CA 0.029 54.065 54.000 0.060 0.000 0.850 875 D CB -0.360 40.463 40.800 0.038 0.000 0.922 875 D HN 0.319 nan 8.370 nan 0.000 0.516 876 T N 1.368 115.982 114.554 0.100 0.000 2.929 876 T HA 0.409 4.775 4.350 0.028 0.000 0.284 876 T C -2.602 172.203 174.700 0.175 0.000 1.014 876 T CA -1.971 60.212 62.100 0.137 0.000 1.051 876 T CB 1.305 70.276 68.868 0.172 0.000 1.028 876 T HN -0.110 nan 8.240 nan 0.000 0.485 877 P HA 0.070 nan 4.420 nan 0.000 0.267 877 P C -0.629 176.997 177.300 0.543 0.000 1.200 877 P CA 0.062 63.274 63.100 0.186 0.000 0.772 877 P CB 0.022 31.816 31.700 0.157 0.000 0.855 878 H N 3.315 122.748 119.070 0.604 0.000 3.070 878 H HA 0.075 4.647 4.556 0.027 0.000 0.313 878 H C -1.555 174.117 175.328 0.574 0.000 0.997 878 H CA -1.341 55.000 56.048 0.489 0.000 1.438 878 H CB -0.346 29.653 29.762 0.395 0.000 1.455 878 H HN 0.374 nan 8.280 nan 0.000 0.575 879 P HA 0.010 nan 4.420 nan 0.000 0.274 879 P C 0.162 177.374 177.300 -0.146 0.000 1.237 879 P CA -0.283 62.880 63.100 0.105 0.000 0.793 879 P CB 1.061 32.657 31.700 -0.173 0.000 0.977 880 A N 2.911 125.386 122.820 -0.575 0.000 1.969 880 A HA -0.094 4.242 4.320 0.028 0.000 0.218 880 A C 1.084 178.294 177.584 -0.623 0.000 1.169 880 A CA 1.315 52.975 52.037 -0.628 0.000 0.635 880 A CB -0.510 17.882 19.000 -1.014 0.000 0.810 880 A HN 0.746 nan 8.150 nan 0.000 0.445 881 R N -2.810 117.354 120.500 -0.560 0.000 2.733 881 R HA 0.741 5.098 4.340 0.028 0.000 0.272 881 R C -1.787 174.291 176.300 -0.370 0.000 1.029 881 R CA -0.861 54.932 56.100 -0.512 0.000 0.888 881 R CB 0.820 30.780 30.300 -0.568 0.000 1.251 881 R HN 0.015 nan 8.270 nan 0.000 0.464 882 I N 0.883 121.274 120.570 -0.299 0.000 2.540 882 I HA 0.603 4.789 4.170 0.028 0.000 0.280 882 I C -0.439 175.462 176.117 -0.361 0.000 1.083 882 I CA -0.363 60.799 61.300 -0.231 0.000 1.080 882 I CB 1.824 39.765 38.000 -0.097 0.000 1.205 882 I HN 1.003 nan 8.210 nan 0.000 0.459 883 G N 5.621 114.154 108.800 -0.446 0.000 2.588 883 G HA2 0.736 4.713 3.960 0.028 0.000 0.281 883 G HA3 0.736 4.713 3.960 0.028 0.000 0.281 883 G C -1.671 173.065 174.900 -0.272 0.000 1.223 883 G CA -0.532 44.328 45.100 -0.399 0.000 0.871 883 G HN 0.271 nan 8.290 nan 0.000 0.492 884 L N 0.616 121.723 121.223 -0.192 0.000 2.303 884 L HA 0.702 5.058 4.340 0.028 0.000 0.256 884 L C -0.671 176.099 176.870 -0.166 0.000 1.034 884 L CA -1.112 53.642 54.840 -0.145 0.000 0.832 884 L CB 2.546 44.603 42.059 -0.003 0.000 1.403 884 L HN 0.848 nan 8.230 nan 0.000 0.419 885 N N 0.123 118.755 118.700 -0.114 0.000 2.823 885 N HA 0.680 5.436 4.740 0.028 0.000 0.251 885 N C -1.422 174.094 175.510 0.009 0.000 1.392 885 N CA -0.515 52.498 53.050 -0.063 0.000 0.864 885 N CB 2.307 40.771 38.487 -0.038 0.000 1.481 885 N HN 0.898 nan 8.380 nan 0.000 0.508 886 C N -1.467 117.863 119.300 0.050 0.000 3.275 886 C HA 0.533 5.009 4.460 0.028 0.000 0.345 886 C C -1.219 173.610 174.990 -0.269 0.000 1.257 886 C CA -0.847 58.147 59.018 -0.039 0.000 1.203 886 C CB 0.887 28.619 27.740 -0.014 0.000 1.492 886 C HN 0.863 nan 8.230 nan 0.000 0.484 887 Q N 1.551 120.951 119.800 -0.668 0.000 2.368 887 Q HA 0.656 5.013 4.340 0.028 0.000 0.256 887 Q C -0.859 174.841 176.000 -0.501 0.000 0.980 887 Q CA -0.407 54.757 55.803 -1.065 0.000 0.887 887 Q CB 0.781 28.598 28.738 -1.536 0.000 1.221 887 Q HN 0.754 nan 8.270 nan 0.000 0.458 888 L N 2.359 123.391 121.223 -0.318 0.000 2.436 888 L HA 0.257 4.613 4.340 0.028 0.000 0.265 888 L C 1.165 177.958 176.870 -0.127 0.000 1.168 888 L CA -0.169 54.602 54.840 -0.115 0.000 0.815 888 L CB 0.816 42.917 42.059 0.069 0.000 1.109 888 L HN 0.798 nan 8.230 nan 0.000 0.462 889 A N 1.767 124.541 122.820 -0.076 0.000 2.016 889 A HA -0.079 4.257 4.320 0.028 0.000 0.217 889 A C 1.060 178.627 177.584 -0.028 0.000 1.162 889 A CA 0.538 52.526 52.037 -0.082 0.000 0.662 889 A CB -0.229 18.709 19.000 -0.103 0.000 0.812 889 A HN 0.781 nan 8.150 nan 0.000 0.450 890 Q N -0.430 119.395 119.800 0.041 0.000 2.354 890 Q HA 0.458 4.815 4.340 0.028 0.000 0.244 890 Q C -1.180 174.871 176.000 0.084 0.000 0.969 890 Q CA 0.088 55.916 55.803 0.041 0.000 0.885 890 Q CB 1.094 29.871 28.738 0.064 0.000 1.241 890 Q HN 0.086 nan 8.270 nan 0.000 0.461 891 V N 3.498 123.426 119.914 0.023 0.000 2.357 891 V HA 0.685 4.822 4.120 0.028 0.000 0.281 891 V C -0.612 175.468 176.094 -0.023 0.000 1.015 891 V CA -0.259 62.086 62.300 0.075 0.000 0.827 891 V CB 0.782 32.624 31.823 0.032 0.000 1.018 891 V HN 0.893 nan 8.190 nan 0.000 0.432 892 A N 3.305 126.042 122.820 -0.139 0.000 2.269 892 A HA 0.703 5.039 4.320 0.028 0.000 0.327 892 A C 0.854 178.432 177.584 -0.010 0.000 1.112 892 A CA -0.414 51.460 52.037 -0.270 0.000 0.865 892 A CB 1.043 19.629 19.000 -0.690 0.000 1.227 892 A HN 0.746 nan 8.150 nan 0.000 0.498 893 E N -0.185 120.003 120.200 -0.020 0.000 2.072 893 E HA -0.052 4.315 4.350 0.028 0.000 0.190 893 E C 0.192 176.860 176.600 0.114 0.000 0.982 893 E CA 0.762 57.192 56.400 0.049 0.000 0.803 893 E CB 0.102 29.813 29.700 0.019 0.000 0.755 893 E HN 0.428 nan 8.360 nan 0.000 0.453 894 R N 0.154 120.728 120.500 0.123 0.000 2.873 894 R HA 0.521 4.877 4.340 0.028 0.000 0.264 894 R C -0.694 175.791 176.300 0.309 0.000 1.026 894 R CA -0.842 55.369 56.100 0.185 0.000 1.002 894 R CB 1.716 32.095 30.300 0.132 0.000 1.174 894 R HN -0.156 nan 8.270 nan 0.000 0.488 895 V N 1.864 121.976 119.914 0.331 0.000 2.525 895 V HA 0.361 4.498 4.120 0.028 0.000 0.299 895 V C -0.336 176.042 176.094 0.473 0.000 1.034 895 V CA -0.935 61.600 62.300 0.392 0.000 0.863 895 V CB 1.825 33.815 31.823 0.277 0.000 0.999 895 V HN 0.655 nan 8.190 nan 0.000 0.423 896 N N 4.405 123.357 118.700 0.419 0.000 2.314 896 N HA 0.591 5.347 4.740 0.028 0.000 0.294 896 N C -1.425 174.350 175.510 0.443 0.000 1.029 896 N CA -0.391 52.881 53.050 0.369 0.000 0.845 896 N CB 2.954 41.543 38.487 0.170 0.000 1.321 896 N HN 0.817 nan 8.380 nan 0.000 0.481 897 W N 3.030 124.360 121.300 0.049 0.000 3.146 897 W HA 0.539 5.216 4.660 0.027 0.000 0.319 897 W C -2.215 174.262 176.519 -0.070 0.000 1.258 897 W CA -1.042 56.304 57.345 0.002 0.000 1.189 897 W CB 0.605 30.076 29.460 0.019 0.000 1.412 897 W HN 0.233 nan 8.180 nan 0.000 0.567 898 L N 4.172 125.332 121.223 -0.105 0.000 2.313 898 L HA 0.900 5.257 4.340 0.028 0.000 0.273 898 L C -0.003 176.677 176.870 -0.316 0.000 1.028 898 L CA 0.384 54.978 54.840 -0.410 0.000 0.871 898 L CB 0.514 42.423 42.059 -0.251 0.000 1.242 898 L HN 0.979 nan 8.230 nan 0.000 0.434 899 G N 3.494 112.016 108.800 -0.464 0.000 2.428 899 G HA2 0.253 4.229 3.960 0.028 0.000 0.305 899 G HA3 0.253 4.229 3.960 0.028 0.000 0.305 899 G C -1.609 173.343 174.900 0.086 0.000 1.260 899 G CA -1.017 44.057 45.100 -0.043 0.000 0.853 899 G HN 0.364 nan 8.290 nan 0.000 0.480 900 L N 0.860 122.247 121.223 0.275 0.000 2.397 900 L HA 0.623 4.980 4.340 0.028 0.000 0.271 900 L C 1.077 178.053 176.870 0.177 0.000 1.148 900 L CA 0.801 55.767 54.840 0.210 0.000 0.825 900 L CB 0.796 42.925 42.059 0.117 0.000 1.117 900 L HN 1.176 nan 8.230 nan 0.000 0.456 901 G N 2.400 111.120 108.800 -0.133 0.000 2.335 901 G HA2 0.211 4.187 3.960 0.028 0.000 0.291 901 G HA3 0.211 4.187 3.960 0.028 0.000 0.291 901 G C -2.772 171.365 174.900 -1.272 0.000 1.261 901 G CA -0.275 44.434 45.100 -0.652 0.000 0.871 901 G HN 0.311 nan 8.290 nan 0.000 0.491 902 P HA 0.110 nan 4.420 nan 0.000 0.240 902 P C 0.519 177.610 177.300 -0.348 0.000 1.190 902 P CA 0.534 62.978 63.100 -1.092 0.000 0.781 902 P CB 0.472 31.687 31.700 -0.807 0.000 0.931 903 Q N 0.500 120.101 119.800 -0.331 0.000 2.318 903 Q HA 0.135 4.492 4.340 0.028 0.000 0.222 903 Q C 0.389 176.274 176.000 -0.192 0.000 1.003 903 Q CA -0.551 55.133 55.803 -0.199 0.000 0.936 903 Q CB 0.616 29.259 28.738 -0.158 0.000 1.204 903 Q HN 0.130 nan 8.270 nan 0.000 0.524 904 E N 1.158 121.252 120.200 -0.176 0.000 2.502 904 E HA -0.097 4.269 4.350 0.028 0.000 0.261 904 E C -1.161 175.338 176.600 -0.167 0.000 0.974 904 E CA 0.252 56.528 56.400 -0.206 0.000 0.936 904 E CB 0.268 29.915 29.700 -0.089 0.000 0.926 904 E HN 0.584 nan 8.360 nan 0.000 0.459 905 N N 2.557 121.074 118.700 -0.305 0.000 2.308 905 N HA 0.312 5.069 4.740 0.028 0.000 0.283 905 N C -1.830 173.425 175.510 -0.424 0.000 1.105 905 N CA -0.697 52.233 53.050 -0.200 0.000 0.840 905 N CB 0.748 39.149 38.487 -0.144 0.000 1.633 905 N HN 0.243 nan 8.380 nan 0.000 0.476 906 Y N 0.162 120.375 120.300 -0.145 0.000 2.659 906 Y HA 0.520 5.086 4.550 0.028 0.000 0.333 906 Y C -1.584 174.255 175.900 -0.102 0.000 1.064 906 Y CA -2.090 55.913 58.100 -0.161 0.000 1.141 906 Y CB 1.503 39.867 38.460 -0.159 0.000 1.316 906 Y HN 0.433 nan 8.280 nan 0.000 0.509 907 P HA -0.181 nan 4.420 nan 0.000 0.216 907 P C 0.414 177.647 177.300 -0.112 0.000 1.153 907 P CA 2.192 65.359 63.100 0.112 0.000 0.858 907 P CB 0.177 32.056 31.700 0.298 0.000 0.789 908 D N -2.340 117.754 120.400 -0.510 0.000 2.340 908 D HA -0.006 4.650 4.640 0.028 0.000 0.217 908 D C 0.799 176.950 176.300 -0.248 0.000 1.081 908 D CA 0.125 53.601 54.000 -0.874 0.000 0.842 908 D CB -0.275 39.753 40.800 -1.287 0.000 0.934 908 D HN 0.126 nan 8.370 nan 0.000 0.511 909 R N 1.006 121.464 120.500 -0.070 0.000 2.638 909 R HA 0.202 4.559 4.340 0.028 0.000 0.261 909 R C -0.504 175.832 176.300 0.060 0.000 1.515 909 R CA -0.117 56.002 56.100 0.032 0.000 1.623 909 R CB 0.084 30.408 30.300 0.040 0.000 1.347 909 R HN 0.094 nan 8.270 nan 0.000 0.705 910 L N -2.424 118.841 121.223 0.069 0.000 3.386 910 L HA 0.314 4.671 4.340 0.028 0.000 0.307 910 L C 1.428 178.358 176.870 0.099 0.000 1.235 910 L CA 0.041 54.919 54.840 0.063 0.000 1.056 910 L CB 0.088 42.173 42.059 0.044 0.000 1.453 910 L HN 0.026 nan 8.230 nan 0.000 0.615 911 T N -2.264 112.375 114.554 0.141 0.000 2.833 911 T HA -0.054 4.313 4.350 0.028 0.000 0.269 911 T C 1.794 176.558 174.700 0.107 0.000 1.054 911 T CA 1.416 63.621 62.100 0.176 0.000 1.135 911 T CB -0.345 68.671 68.868 0.246 0.000 0.869 911 T HN 0.391 nan 8.240 nan 0.000 0.466 912 A N 1.603 124.492 122.820 0.115 0.000 2.119 912 A HA 0.627 4.964 4.320 0.028 0.000 0.217 912 A C 1.637 179.312 177.584 0.151 0.000 1.153 912 A CA 0.556 52.598 52.037 0.008 0.000 0.692 912 A CB -0.999 18.156 19.000 0.257 0.000 0.799 912 A HN 0.868 nan 8.150 nan 0.000 0.458 913 A N -1.244 121.613 122.820 0.062 0.000 2.406 913 A HA 0.434 4.771 4.320 0.028 0.000 0.243 913 A C 0.059 177.668 177.584 0.041 0.000 1.082 913 A CA 0.086 52.119 52.037 -0.007 0.000 0.786 913 A CB -0.113 18.862 19.000 -0.042 0.000 1.029 913 A HN 0.506 nan 8.150 nan 0.000 0.495 914 C N 0.037 119.349 119.300 0.020 0.000 2.707 914 C HA 0.542 5.019 4.460 0.028 0.000 0.313 914 C C -0.251 174.857 174.990 0.197 0.000 1.209 914 C CA -0.537 58.552 59.018 0.119 0.000 1.635 914 C CB 1.081 28.909 27.740 0.146 0.000 2.206 914 C HN 0.802 nan 8.230 nan 0.000 0.485 915 F N 3.643 123.471 119.950 -0.203 0.000 2.444 915 F HA 0.489 5.033 4.527 0.028 0.000 0.360 915 F C 0.358 175.845 175.800 -0.522 0.000 1.106 915 F CA 1.279 58.998 58.000 -0.468 0.000 1.170 915 F CB -0.021 38.266 39.000 -1.188 0.000 1.113 915 F HN 0.612 nan 8.300 nan 0.000 0.521 916 D N 3.387 123.192 120.400 -0.991 0.000 2.809 916 D HA 0.154 4.810 4.640 0.028 0.000 0.336 916 D C -1.668 173.745 176.300 -1.477 0.000 1.367 916 D CA -0.760 52.545 54.000 -1.158 0.000 0.815 916 D CB 1.421 41.447 40.800 -1.289 0.000 1.381 916 D HN 0.513 nan 8.370 nan 0.000 0.471 917 R N 0.687 120.415 120.500 -1.288 0.000 2.229 917 R HA 0.541 4.898 4.340 0.028 0.000 0.328 917 R C -1.297 174.233 176.300 -1.283 0.000 1.009 917 R CA -0.205 55.272 56.100 -1.037 0.000 0.864 917 R CB 0.341 30.279 30.300 -0.604 0.000 1.085 917 R HN 0.282 nan 8.270 nan 0.000 0.453 918 W N 2.495 123.234 121.300 -0.935 0.000 2.647 918 W HA 0.444 5.120 4.660 0.028 0.000 0.353 918 W C -0.503 175.638 176.519 -0.631 0.000 1.080 918 W CA -0.601 56.151 57.345 -0.987 0.000 1.208 918 W CB 1.636 30.025 29.460 -1.786 0.000 1.396 918 W HN 0.393 nan 8.180 nan 0.000 0.573 919 D N 2.263 122.643 120.400 -0.033 0.000 2.613 919 D HA 0.372 5.029 4.640 0.028 0.000 0.230 919 D C -1.613 174.801 176.300 0.190 0.000 1.365 919 D CA -0.139 53.936 54.000 0.125 0.000 0.976 919 D CB 0.980 41.805 40.800 0.042 0.000 1.415 919 D HN 0.371 nan 8.370 nan 0.000 0.589 920 L N 2.887 124.294 121.223 0.306 0.000 2.350 920 L HA 0.548 4.905 4.340 0.028 0.000 0.260 920 L C -2.325 174.665 176.870 0.201 0.000 1.015 920 L CA -2.262 52.723 54.840 0.241 0.000 0.821 920 L CB 2.528 44.767 42.059 0.301 0.000 1.370 920 L HN 0.159 nan 8.230 nan 0.000 0.416 921 P HA -0.002 nan 4.420 nan 0.000 0.268 921 P C 0.556 177.938 177.300 0.136 0.000 1.205 921 P CA -0.200 62.973 63.100 0.122 0.000 0.771 921 P CB 0.697 32.449 31.700 0.087 0.000 0.858 922 L N 3.681 124.994 121.223 0.150 0.000 2.189 922 L HA -0.237 4.120 4.340 0.028 0.000 0.214 922 L C 2.111 179.034 176.870 0.088 0.000 1.097 922 L CA 2.559 57.478 54.840 0.132 0.000 0.764 922 L CB -1.172 40.991 42.059 0.174 0.000 0.900 922 L HN 0.418 nan 8.230 nan 0.000 0.436 923 S N -1.624 114.131 115.700 0.091 0.000 2.399 923 S HA -0.189 4.298 4.470 0.028 0.000 0.231 923 S C 1.583 176.252 174.600 0.115 0.000 1.022 923 S CA 1.189 59.453 58.200 0.106 0.000 0.983 923 S CB -0.766 62.491 63.200 0.094 0.000 0.803 923 S HN 0.551 nan 8.310 nan 0.000 0.480 924 D N 1.061 121.509 120.400 0.080 0.000 2.378 924 D HA 0.102 4.759 4.640 0.028 0.000 0.227 924 D C 1.071 177.375 176.300 0.007 0.000 1.012 924 D CA 0.537 54.562 54.000 0.042 0.000 0.905 924 D CB -0.069 40.761 40.800 0.050 0.000 0.895 924 D HN 0.425 nan 8.370 nan 0.000 0.532 925 M N -0.414 119.201 119.600 0.025 0.000 2.431 925 M HA 0.073 4.570 4.480 0.028 0.000 0.237 925 M C -0.075 176.229 176.300 0.007 0.000 1.130 925 M CA -0.139 55.130 55.300 -0.051 0.000 1.002 925 M CB -0.624 31.932 32.600 -0.074 0.000 1.524 925 M HN -0.066 nan 8.290 nan 0.000 0.482 926 Y N 0.183 120.444 120.300 -0.064 0.000 2.364 926 Y HA 0.513 5.080 4.550 0.028 0.000 0.340 926 Y C -0.774 175.083 175.900 -0.072 0.000 0.975 926 Y CA -0.982 57.101 58.100 -0.029 0.000 1.089 926 Y CB 1.334 39.833 38.460 0.066 0.000 1.192 926 Y HN -0.124 nan 8.280 nan 0.000 0.454 927 T N 9.145 123.264 114.554 -0.724 0.000 2.770 927 T HA 0.268 4.635 4.350 0.028 0.000 0.297 927 T C -2.589 171.374 174.700 -1.229 0.000 0.997 927 T CA -1.471 60.116 62.100 -0.855 0.000 0.949 927 T CB 0.993 69.444 68.868 -0.695 0.000 0.941 927 T HN 0.467 nan 8.240 nan 0.000 0.457 928 P HA 0.067 nan 4.420 nan 0.000 0.238 928 P C -0.554 176.638 177.300 -0.180 0.000 1.714 928 P CA -0.365 62.333 63.100 -0.671 0.000 0.908 928 P CB -0.795 30.649 31.700 -0.427 0.000 1.893 929 Y N -0.413 119.830 120.300 -0.095 0.000 2.717 929 Y HA -0.105 4.462 4.550 0.028 0.000 0.330 929 Y C 2.276 178.209 175.900 0.054 0.000 1.217 929 Y CA -0.429 57.651 58.100 -0.033 0.000 1.506 929 Y CB 0.503 38.864 38.460 -0.164 0.000 1.268 929 Y HN -0.117 nan 8.280 nan 0.000 0.561 930 V N 3.986 124.101 119.914 0.335 0.000 2.392 930 V HA -0.304 3.833 4.120 0.028 0.000 0.249 930 V C 0.507 176.744 176.094 0.239 0.000 1.059 930 V CA 1.427 63.906 62.300 0.298 0.000 1.051 930 V CB -0.559 31.477 31.823 0.354 0.000 0.658 930 V HN 0.573 nan 8.190 nan 0.000 0.455 931 F N 3.002 122.984 119.950 0.054 0.000 2.371 931 F HA 0.525 5.069 4.527 0.028 0.000 0.363 931 F C -2.542 173.251 175.800 -0.011 0.000 1.122 931 F CA -3.408 54.565 58.000 -0.044 0.000 1.129 931 F CB 0.881 39.737 39.000 -0.241 0.000 1.173 931 F HN -0.030 nan 8.300 nan 0.000 0.489 932 P HA 0.293 nan 4.420 nan 0.000 0.275 932 P C -1.062 175.890 177.300 -0.581 0.000 1.228 932 P CA 0.003 62.819 63.100 -0.472 0.000 0.786 932 P CB 1.414 32.896 31.700 -0.364 0.000 0.927 933 S N 0.010 115.574 115.700 -0.227 0.000 2.703 933 S HA 0.447 4.934 4.470 0.028 0.000 0.273 933 S C -0.810 173.770 174.600 -0.032 0.000 1.178 933 S CA -0.917 57.200 58.200 -0.139 0.000 0.838 933 S CB 0.363 63.508 63.200 -0.091 0.000 1.178 933 S HN 0.321 nan 8.310 nan 0.000 0.494 934 E N 1.231 121.423 120.200 -0.013 0.000 2.529 934 E HA 0.365 4.731 4.350 0.028 0.000 0.259 934 E C -0.190 176.455 176.600 0.075 0.000 0.966 934 E CA 0.719 57.141 56.400 0.036 0.000 0.937 934 E CB -0.270 29.474 29.700 0.074 0.000 0.923 934 E HN 0.779 nan 8.360 nan 0.000 0.468 935 N N 1.579 120.359 118.700 0.135 0.000 3.020 935 N HA 0.509 5.266 4.740 0.028 0.000 0.248 935 N C 0.291 175.864 175.510 0.105 0.000 1.480 935 N CA -0.570 52.607 53.050 0.211 0.000 0.874 935 N CB 0.864 39.489 38.487 0.230 0.000 1.433 935 N HN 0.711 nan 8.380 nan 0.000 0.530 936 G N -1.422 107.401 108.800 0.039 0.000 2.184 936 G HA2 -0.274 3.702 3.960 0.028 0.000 0.264 936 G HA3 -0.274 3.702 3.960 0.028 0.000 0.264 936 G C -0.192 174.462 174.900 -0.411 0.000 0.975 936 G CA 0.481 45.483 45.100 -0.164 0.000 0.642 936 G HN 0.715 nan 8.290 nan 0.000 0.536 937 L N 0.241 121.136 121.223 -0.547 0.000 2.506 937 L HA 0.636 4.992 4.340 0.028 0.000 0.281 937 L C 0.688 176.971 176.870 -0.979 0.000 1.228 937 L CA 0.508 54.781 54.840 -0.944 0.000 0.850 937 L CB 0.531 41.736 42.059 -1.424 0.000 1.110 937 L HN 0.265 nan 8.230 nan 0.000 0.496 938 R N 2.769 122.625 120.500 -1.073 0.000 2.502 938 R HA 0.471 4.828 4.340 0.028 0.000 0.300 938 R C -1.073 174.863 176.300 -0.607 0.000 0.984 938 R CA -0.295 55.296 56.100 -0.848 0.000 0.882 938 R CB 1.308 30.943 30.300 -1.109 0.000 1.180 938 R HN 0.692 nan 8.270 nan 0.000 0.444 939 C N 0.648 119.743 119.300 -0.342 0.000 2.328 939 C HA 0.712 5.189 4.460 0.028 0.000 0.378 939 C C 1.346 176.311 174.990 -0.042 0.000 1.249 939 C CA 0.024 58.928 59.018 -0.190 0.000 2.204 939 C CB 1.294 28.950 27.740 -0.139 0.000 2.218 939 C HN 1.040 nan 8.230 nan 0.000 0.564 940 G N 1.790 110.582 108.800 -0.014 0.000 2.305 940 G HA2 -0.191 3.785 3.960 0.028 0.000 0.287 940 G HA3 -0.191 3.785 3.960 0.028 0.000 0.287 940 G C -0.048 174.913 174.900 0.102 0.000 1.036 940 G CA 0.520 45.667 45.100 0.079 0.000 0.887 940 G HN 0.813 nan 8.290 nan 0.000 0.505 941 T N 0.179 114.652 114.554 -0.136 0.000 2.780 941 T HA 0.478 4.844 4.350 0.028 0.000 0.294 941 T C 1.396 175.758 174.700 -0.563 0.000 0.949 941 T CA -0.473 61.453 62.100 -0.288 0.000 1.074 941 T CB 1.254 69.989 68.868 -0.222 0.000 0.910 941 T HN 0.246 nan 8.240 nan 0.000 0.501 942 R N 1.730 122.143 120.500 -0.145 0.000 2.225 942 R HA 0.303 4.660 4.340 0.028 0.000 0.194 942 R C 0.575 176.933 176.300 0.098 0.000 0.957 942 R CA 0.231 56.340 56.100 0.014 0.000 1.042 942 R CB 0.320 30.753 30.300 0.221 0.000 1.004 942 R HN 0.695 nan 8.270 nan 0.000 0.509 943 E N 0.335 120.590 120.200 0.091 0.000 2.335 943 E HA 0.389 4.755 4.350 0.028 0.000 0.280 943 E C -1.869 174.867 176.600 0.225 0.000 0.918 943 E CA -0.695 55.829 56.400 0.206 0.000 0.765 943 E CB 1.547 31.329 29.700 0.137 0.000 1.218 943 E HN -0.086 nan 8.360 nan 0.000 0.425 944 L N 3.728 125.131 121.223 0.300 0.000 2.431 944 L HA 0.618 4.975 4.340 0.028 0.000 0.266 944 L C -1.927 175.123 176.870 0.299 0.000 0.978 944 L CA -0.371 54.585 54.840 0.193 0.000 0.822 944 L CB 1.940 43.952 42.059 -0.077 0.000 1.310 944 L HN 0.508 nan 8.230 nan 0.000 0.409 945 N N 4.180 123.039 118.700 0.265 0.000 2.296 945 N HA 0.459 5.216 4.740 0.028 0.000 0.294 945 N C -2.040 173.702 175.510 0.387 0.000 1.033 945 N CA -0.297 52.919 53.050 0.277 0.000 0.839 945 N CB 2.400 40.987 38.487 0.166 0.000 1.395 945 N HN 0.626 nan 8.380 nan 0.000 0.479 946 Y N 0.753 121.201 120.300 0.247 0.000 2.399 946 Y HA 0.395 4.962 4.550 0.028 0.000 0.327 946 Y C 0.608 176.625 175.900 0.194 0.000 1.111 946 Y CA 0.266 58.506 58.100 0.234 0.000 1.047 946 Y CB 0.891 39.543 38.460 0.320 0.000 1.259 946 Y HN 0.845 nan 8.280 nan 0.000 0.434 947 G N 6.231 114.827 108.800 -0.339 0.000 2.614 947 G HA2 -0.304 3.673 3.960 0.028 0.000 0.303 947 G HA3 -0.304 3.673 3.960 0.028 0.000 0.303 947 G C -1.653 173.138 174.900 -0.182 0.000 1.270 947 G CA 0.142 45.053 45.100 -0.315 0.000 0.988 947 G HN 0.623 nan 8.290 nan 0.000 0.551 948 P HA 0.074 nan 4.420 nan 0.000 0.241 948 P C 0.338 177.387 177.300 -0.418 0.000 1.191 948 P CA 0.981 63.867 63.100 -0.356 0.000 0.771 948 P CB -0.075 31.340 31.700 -0.474 0.000 0.929 949 H N 0.271 119.271 119.070 -0.117 0.000 2.482 949 H HA 0.449 5.021 4.556 0.028 0.000 0.344 949 H C -0.014 175.047 175.328 -0.446 0.000 1.151 949 H CA -0.102 55.742 56.048 -0.340 0.000 1.300 949 H CB 1.490 30.783 29.762 -0.781 0.000 1.494 949 H HN 0.083 nan 8.280 nan 0.000 0.542 950 Q N 2.363 121.918 119.800 -0.408 0.000 2.305 950 Q HA 0.258 4.615 4.340 0.028 0.000 0.271 950 Q C -1.689 174.068 176.000 -0.404 0.000 1.046 950 Q CA -0.717 54.942 55.803 -0.239 0.000 0.798 950 Q CB 2.129 30.847 28.738 -0.033 0.000 1.286 950 Q HN 0.600 nan 8.270 nan 0.000 0.435 951 W N 3.694 124.952 121.300 -0.071 0.000 2.785 951 W HA 0.597 5.274 4.660 0.028 0.000 0.333 951 W C -0.293 176.287 176.519 0.102 0.000 1.062 951 W CA -0.849 56.409 57.345 -0.145 0.000 1.233 951 W CB 2.028 31.192 29.460 -0.493 0.000 1.413 951 W HN 0.509 nan 8.180 nan 0.000 0.489 952 R N 0.535 121.253 120.500 0.365 0.000 2.807 952 R HA 0.786 5.143 4.340 0.028 0.000 0.276 952 R C 0.177 176.761 176.300 0.474 0.000 0.979 952 R CA -0.419 55.929 56.100 0.414 0.000 0.928 952 R CB 2.451 32.907 30.300 0.259 0.000 1.191 952 R HN 0.778 nan 8.270 nan 0.000 0.471 953 G N 0.685 109.787 108.800 0.502 0.000 2.553 953 G HA2 -0.010 3.966 3.960 0.028 0.000 0.106 953 G HA3 -0.010 3.966 3.960 0.028 0.000 0.106 953 G C -1.761 173.333 174.900 0.324 0.000 1.126 953 G CA -0.340 45.021 45.100 0.435 0.000 1.075 953 G HN 0.498 nan 8.290 nan 0.000 0.472 954 D N 0.075 120.693 120.400 0.363 0.000 2.411 954 D HA 0.600 5.257 4.640 0.028 0.000 0.239 954 D C -0.639 175.722 176.300 0.102 0.000 1.307 954 D CA -0.407 53.659 54.000 0.110 0.000 0.930 954 D CB 0.172 41.046 40.800 0.122 0.000 1.395 954 D HN 0.600 nan 8.370 nan 0.000 0.536 955 F N -0.321 119.636 119.950 0.011 0.000 2.950 955 F HA 0.689 5.232 4.527 0.028 0.000 0.327 955 F C -1.261 174.505 175.800 -0.056 0.000 1.197 955 F CA -1.056 56.886 58.000 -0.096 0.000 0.954 955 F CB 0.662 39.596 39.000 -0.109 0.000 1.442 955 F HN -0.153 nan 8.300 nan 0.000 0.509 956 Q N 1.526 121.402 119.800 0.128 0.000 2.345 956 Q HA 0.647 5.004 4.340 0.028 0.000 0.268 956 Q C -1.333 174.720 176.000 0.089 0.000 1.054 956 Q CA -0.492 55.287 55.803 -0.040 0.000 0.835 956 Q CB 2.726 31.339 28.738 -0.207 0.000 1.339 956 Q HN 0.841 nan 8.270 nan 0.000 0.447 957 F N -0.963 118.869 119.950 -0.196 0.000 2.686 957 F HA 0.754 5.297 4.527 0.028 0.000 0.311 957 F C -1.555 174.033 175.800 -0.354 0.000 1.128 957 F CA -1.082 56.771 58.000 -0.245 0.000 0.946 957 F CB 1.549 40.436 39.000 -0.189 0.000 1.336 957 F HN 0.570 nan 8.300 nan 0.000 0.457 958 N N 1.484 119.999 118.700 -0.308 0.000 2.357 958 N HA 0.745 5.502 4.740 0.028 0.000 0.284 958 N C -2.096 173.350 175.510 -0.106 0.000 1.236 958 N CA -0.773 52.072 53.050 -0.343 0.000 0.774 958 N CB 2.651 40.953 38.487 -0.309 0.000 1.534 958 N HN 1.124 nan 8.380 nan 0.000 0.478 959 I N 0.425 120.925 120.570 -0.116 0.000 2.627 959 I HA 0.626 4.812 4.170 0.028 0.000 0.288 959 I C -1.446 174.590 176.117 -0.135 0.000 1.202 959 I CA 0.088 61.297 61.300 -0.153 0.000 1.050 959 I CB 1.200 39.044 38.000 -0.260 0.000 1.264 959 I HN 1.061 nan 8.210 nan 0.000 0.429 960 S N 6.324 121.956 115.700 -0.112 0.000 2.683 960 S HA 0.521 5.008 4.470 0.028 0.000 0.269 960 S C -0.179 174.320 174.600 -0.169 0.000 1.165 960 S CA -0.951 57.172 58.200 -0.128 0.000 0.840 960 S CB 1.685 64.863 63.200 -0.037 0.000 1.169 960 S HN 0.607 nan 8.310 nan 0.000 0.490 961 R N -0.242 119.984 120.500 -0.456 0.000 2.334 961 R HA 0.265 4.621 4.340 0.028 0.000 0.220 961 R C -0.847 175.074 176.300 -0.632 0.000 0.917 961 R CA 0.322 56.094 56.100 -0.548 0.000 1.073 961 R CB -0.894 28.982 30.300 -0.707 0.000 1.056 961 R HN 0.660 nan 8.270 nan 0.000 0.506 962 Y N 0.287 120.540 120.300 -0.079 0.000 2.341 962 Y HA 0.231 4.798 4.550 0.028 0.000 0.338 962 Y C 0.783 176.427 175.900 -0.426 0.000 0.965 962 Y CA -1.091 56.873 58.100 -0.227 0.000 1.108 962 Y CB 1.347 39.631 38.460 -0.294 0.000 1.180 962 Y HN -0.108 nan 8.280 nan 0.000 0.458 963 S N 1.432 116.734 115.700 -0.664 0.000 2.608 963 S HA 0.061 4.547 4.470 0.028 0.000 0.261 963 S C 0.920 175.160 174.600 -0.600 0.000 1.314 963 S CA -0.788 56.641 58.200 -1.285 0.000 0.992 963 S CB 1.006 63.334 63.200 -1.454 0.000 0.935 963 S HN 0.719 nan 8.310 nan 0.000 0.564 964 Q N 0.452 119.917 119.800 -0.558 0.000 2.124 964 Q HA -0.192 4.165 4.340 0.028 0.000 0.202 964 Q C 2.274 178.130 176.000 -0.239 0.000 0.977 964 Q CA 1.737 57.363 55.803 -0.295 0.000 0.850 964 Q CB -0.551 28.055 28.738 -0.219 0.000 0.901 964 Q HN 0.952 nan 8.270 nan 0.000 0.429 965 Q N 0.766 120.390 119.800 -0.293 0.000 2.061 965 Q HA -0.242 4.115 4.340 0.028 0.000 0.204 965 Q C 2.143 178.044 176.000 -0.166 0.000 0.984 965 Q CA 1.735 57.426 55.803 -0.186 0.000 0.846 965 Q CB -0.021 28.616 28.738 -0.168 0.000 0.902 965 Q HN 0.408 nan 8.270 nan 0.000 0.421 966 Q N 0.045 119.722 119.800 -0.206 0.000 2.050 966 Q HA -0.172 4.185 4.340 0.028 0.000 0.202 966 Q C 2.259 178.151 176.000 -0.180 0.000 0.980 966 Q CA 1.504 57.208 55.803 -0.164 0.000 0.840 966 Q CB -0.133 28.501 28.738 -0.173 0.000 0.898 966 Q HN 0.515 nan 8.270 nan 0.000 0.424 967 L N 0.610 121.714 121.223 -0.199 0.000 2.079 967 L HA -0.207 4.150 4.340 0.028 0.000 0.210 967 L C 2.728 179.472 176.870 -0.210 0.000 1.081 967 L CA 1.491 56.204 54.840 -0.211 0.000 0.752 967 L CB -0.479 41.482 42.059 -0.164 0.000 0.896 967 L HN 0.487 nan 8.230 nan 0.000 0.433 968 M N -0.902 118.603 119.600 -0.159 0.000 2.619 968 M HA -0.079 4.418 4.480 0.028 0.000 0.251 968 M C 1.107 177.340 176.300 -0.112 0.000 1.106 968 M CA 1.522 56.745 55.300 -0.129 0.000 1.086 968 M CB 0.020 32.554 32.600 -0.110 0.000 1.465 968 M HN 0.124 nan 8.290 nan 0.000 0.506 969 E N 0.369 120.501 120.200 -0.113 0.000 2.526 969 E HA 0.153 4.520 4.350 0.028 0.000 0.208 969 E C -0.506 176.052 176.600 -0.071 0.000 0.997 969 E CA -0.064 56.293 56.400 -0.072 0.000 0.961 969 E CB 0.881 30.547 29.700 -0.057 0.000 1.030 969 E HN 0.371 nan 8.360 nan 0.000 0.483 970 T N 0.142 114.620 114.554 -0.127 0.000 2.823 970 T HA 0.130 4.497 4.350 0.028 0.000 0.279 970 T C 1.119 175.732 174.700 -0.145 0.000 0.998 970 T CA -0.494 61.531 62.100 -0.125 0.000 0.994 970 T CB 1.757 70.518 68.868 -0.177 0.000 0.960 970 T HN 0.024 nan 8.240 nan 0.000 0.448 971 S N 1.562 117.277 115.700 0.024 0.000 2.439 971 S HA 0.069 4.556 4.470 0.028 0.000 0.224 971 S C 0.277 174.971 174.600 0.157 0.000 1.029 971 S CA 0.320 58.639 58.200 0.199 0.000 0.946 971 S CB -0.275 63.181 63.200 0.427 0.000 0.797 971 S HN 0.739 nan 8.310 nan 0.000 0.504 972 H N 0.791 119.876 119.070 0.025 0.000 2.600 972 H HA 0.534 5.107 4.556 0.028 0.000 0.357 972 H C 1.063 176.361 175.328 -0.050 0.000 1.106 972 H CA -0.725 55.398 56.048 0.124 0.000 1.193 972 H CB 1.492 31.373 29.762 0.200 0.000 1.594 972 H HN 0.174 nan 8.280 nan 0.000 0.526 973 R N 2.008 122.615 120.500 0.179 0.000 2.117 973 R HA -0.209 4.147 4.340 0.028 0.000 0.243 973 R C 1.230 177.535 176.300 0.010 0.000 1.143 973 R CA 2.045 58.182 56.100 0.062 0.000 0.968 973 R CB -0.586 29.794 30.300 0.133 0.000 0.863 973 R HN 0.811 nan 8.270 nan 0.000 0.444 974 H N 1.034 120.119 119.070 0.026 0.000 2.543 974 H HA -0.008 4.565 4.556 0.028 0.000 0.286 974 H C 1.429 176.683 175.328 -0.123 0.000 1.037 974 H CA 0.977 56.998 56.048 -0.045 0.000 1.250 974 H CB -0.165 29.568 29.762 -0.048 0.000 1.373 974 H HN 0.358 nan 8.280 nan 0.000 0.580 975 L N 0.721 121.587 121.223 -0.595 0.000 2.607 975 L HA 0.232 4.588 4.340 0.028 0.000 0.228 975 L C 0.670 177.409 176.870 -0.219 0.000 1.123 975 L CA -0.208 54.353 54.840 -0.465 0.000 0.890 975 L CB 0.214 41.969 42.059 -0.506 0.000 1.103 975 L HN 0.022 nan 8.230 nan 0.000 0.468 976 L N 1.067 122.153 121.223 -0.229 0.000 2.461 976 L HA 0.092 4.449 4.340 0.028 0.000 0.272 976 L C 0.269 177.125 176.870 -0.023 0.000 1.197 976 L CA 0.025 54.721 54.840 -0.240 0.000 0.836 976 L CB 0.190 41.860 42.059 -0.648 0.000 1.105 976 L HN 0.196 nan 8.230 nan 0.000 0.477 977 H N 1.928 121.019 119.070 0.034 0.000 2.589 977 H HA 0.583 5.156 4.556 0.028 0.000 0.351 977 H C -0.743 174.713 175.328 0.214 0.000 1.074 977 H CA -1.173 54.938 56.048 0.104 0.000 1.203 977 H CB 1.323 31.100 29.762 0.024 0.000 1.558 977 H HN 0.699 nan 8.280 nan 0.000 0.522 978 A N 4.078 126.958 122.820 0.100 0.000 2.540 978 A HA 0.080 4.417 4.320 0.028 0.000 0.239 978 A C 0.313 177.840 177.584 -0.094 0.000 1.061 978 A CA -0.063 51.873 52.037 -0.169 0.000 0.758 978 A CB -0.026 18.886 19.000 -0.146 0.000 0.991 978 A HN 0.871 nan 8.150 nan 0.000 0.502 979 E N 0.989 121.098 120.200 -0.152 0.000 2.292 979 E HA 0.244 4.611 4.350 0.028 0.000 0.258 979 E C -0.131 176.472 176.600 0.005 0.000 1.115 979 E CA -0.798 55.616 56.400 0.023 0.000 0.929 979 E CB 0.763 30.570 29.700 0.178 0.000 1.161 979 E HN 0.782 nan 8.360 nan 0.000 0.453 980 E N 0.307 120.521 120.200 0.022 0.000 2.392 980 E HA 0.208 4.574 4.350 0.028 0.000 0.264 980 E C 0.341 176.876 176.600 -0.108 0.000 1.024 980 E CA 0.620 57.001 56.400 -0.032 0.000 0.903 980 E CB 0.462 30.148 29.700 -0.023 0.000 0.963 980 E HN 0.678 nan 8.360 nan 0.000 0.432 981 G N 2.858 111.600 108.800 -0.096 0.000 2.598 981 G HA2 -0.233 3.743 3.960 0.028 0.000 0.244 981 G HA3 -0.233 3.743 3.960 0.028 0.000 0.244 981 G C -0.610 174.208 174.900 -0.137 0.000 1.302 981 G CA -0.084 44.940 45.100 -0.126 0.000 0.903 981 G HN 0.614 nan 8.290 nan 0.000 0.575 982 T N 0.115 114.559 114.554 -0.183 0.000 3.011 982 T HA 0.474 4.841 4.350 0.028 0.000 0.303 982 T C -0.837 173.709 174.700 -0.257 0.000 0.997 982 T CA -0.221 61.789 62.100 -0.150 0.000 1.007 982 T CB 1.258 70.126 68.868 0.001 0.000 1.017 982 T HN 0.583 nan 8.240 nan 0.000 0.443 983 W N 3.406 124.605 121.300 -0.169 0.000 2.345 983 W HA 0.567 5.243 4.660 0.028 0.000 0.308 983 W C -0.181 176.206 176.519 -0.219 0.000 1.273 983 W CA -0.632 56.612 57.345 -0.168 0.000 1.243 983 W CB 0.587 29.957 29.460 -0.150 0.000 1.260 983 W HN 0.356 nan 8.180 nan 0.000 0.509 984 L N 5.997 127.226 121.223 0.011 0.000 2.313 984 L HA 0.490 4.847 4.340 0.028 0.000 0.283 984 L C -0.923 175.863 176.870 -0.140 0.000 1.013 984 L CA -0.447 54.285 54.840 -0.181 0.000 0.816 984 L CB 0.716 42.537 42.059 -0.397 0.000 1.236 984 L HN 0.316 nan 8.230 nan 0.000 0.419 985 N N 7.183 125.779 118.700 -0.173 0.000 2.483 985 N HA 0.451 5.207 4.740 0.028 0.000 0.267 985 N C -1.217 174.162 175.510 -0.217 0.000 0.998 985 N CA -0.272 52.673 53.050 -0.175 0.000 0.918 985 N CB 2.300 40.710 38.487 -0.129 0.000 1.215 985 N HN 0.521 nan 8.380 nan 0.000 0.500 986 I N 2.012 122.408 120.570 -0.289 0.000 2.382 986 I HA 0.235 4.421 4.170 0.028 0.000 0.285 986 I C -0.668 175.270 176.117 -0.298 0.000 1.007 986 I CA -0.498 60.599 61.300 -0.337 0.000 1.142 986 I CB 1.472 39.105 38.000 -0.612 0.000 1.289 986 I HN 0.189 nan 8.210 nan 0.000 0.453 987 D N 4.425 124.688 120.400 -0.229 0.000 2.185 987 D HA 0.288 4.944 4.640 0.028 0.000 0.247 987 D C 0.993 176.978 176.300 -0.525 0.000 1.027 987 D CA -0.254 53.529 54.000 -0.361 0.000 0.861 987 D CB 2.624 43.317 40.800 -0.178 0.000 1.202 987 D HN 0.667 nan 8.370 nan 0.000 0.453 988 G N 0.978 109.127 108.800 -1.085 0.000 2.408 988 G HA2 -0.004 3.973 3.960 0.028 0.000 0.215 988 G HA3 -0.004 3.973 3.960 0.028 0.000 0.215 988 G C 0.113 174.210 174.900 -1.338 0.000 1.156 988 G CA 0.564 44.895 45.100 -1.281 0.000 0.793 988 G HN 0.378 nan 8.290 nan 0.000 0.535 989 F N -2.177 117.598 119.950 -0.292 0.000 2.613 989 F HA 0.652 5.196 4.527 0.028 0.000 0.310 989 F C -0.495 175.222 175.800 -0.139 0.000 1.085 989 F CA -1.189 56.714 58.000 -0.162 0.000 0.945 989 F CB 2.147 40.981 39.000 -0.277 0.000 1.298 989 F HN 0.036 nan 8.300 nan 0.000 0.455 990 H N 1.287 120.380 119.070 0.039 0.000 2.954 990 H HA 0.495 5.067 4.556 0.028 0.000 0.361 990 H C -0.957 174.399 175.328 0.047 0.000 1.122 990 H CA -0.859 55.179 56.048 -0.017 0.000 1.217 990 H CB 1.873 31.612 29.762 -0.039 0.000 1.776 990 H HN 0.784 nan 8.280 nan 0.000 0.533 991 M N 3.293 122.823 119.600 -0.118 0.000 2.248 991 M HA 0.274 4.771 4.480 0.028 0.000 0.337 991 M C 0.573 176.988 176.300 0.192 0.000 1.121 991 M CA 0.430 55.748 55.300 0.030 0.000 1.155 991 M CB 0.343 32.868 32.600 -0.125 0.000 1.514 991 M HN 0.836 nan 8.290 nan 0.000 0.452 992 G N 3.184 112.076 108.800 0.154 0.000 2.699 992 G HA2 0.263 4.240 3.960 0.028 0.000 0.246 992 G HA3 0.263 4.240 3.960 0.028 0.000 0.246 992 G C 0.618 175.493 174.900 -0.042 0.000 1.219 992 G CA -0.388 44.730 45.100 0.030 0.000 0.866 992 G HN 0.984 nan 8.290 nan 0.000 0.572 993 I N -1.667 118.826 120.570 -0.128 0.000 3.854 993 I HA 0.394 4.580 4.170 0.028 0.000 0.312 993 I C 1.176 177.218 176.117 -0.125 0.000 1.273 993 I CA 0.480 61.668 61.300 -0.187 0.000 1.298 993 I CB -0.608 37.175 38.000 -0.362 0.000 1.071 993 I HN 0.919 nan 8.210 nan 0.000 0.428 994 G N 1.733 110.479 108.800 -0.091 0.000 2.641 994 G HA2 -0.022 3.954 3.960 0.028 0.000 0.254 994 G HA3 -0.022 3.954 3.960 0.028 0.000 0.254 994 G C 0.559 175.453 174.900 -0.010 0.000 1.315 994 G CA 0.233 45.319 45.100 -0.023 0.000 0.907 994 G HN 1.343 nan 8.290 nan 0.000 0.572 995 G N -2.477 106.339 108.800 0.026 0.000 2.870 995 G HA2 0.066 4.043 3.960 0.028 0.000 0.216 995 G HA3 0.066 4.043 3.960 0.028 0.000 0.216 995 G C 0.637 175.607 174.900 0.117 0.000 0.973 995 G CA 0.969 46.099 45.100 0.050 0.000 0.807 995 G HN 0.891 nan 8.290 nan 0.000 0.573 996 D N 1.261 121.745 120.400 0.139 0.000 2.149 996 D HA 0.035 4.692 4.640 0.028 0.000 0.194 996 D C 1.037 177.403 176.300 0.110 0.000 1.001 996 D CA 2.180 56.325 54.000 0.241 0.000 0.849 996 D CB 0.100 41.045 40.800 0.242 0.000 0.939 996 D HN 0.783 nan 8.370 nan 0.000 0.449 997 D N -3.152 117.084 120.400 -0.273 0.000 2.596 997 D HA 0.368 5.024 4.640 0.028 0.000 0.262 997 D C -0.781 174.978 176.300 -0.902 0.000 1.210 997 D CA -0.757 52.627 54.000 -1.026 0.000 0.873 997 D CB 1.147 40.778 40.800 -1.948 0.000 1.408 997 D HN -0.309 nan 8.370 nan 0.000 0.441 998 S N -0.363 114.636 115.700 -1.169 0.000 2.588 998 S HA 0.227 4.713 4.470 0.028 0.000 0.245 998 S C -0.547 174.068 174.600 0.025 0.000 1.021 998 S CA -0.674 57.381 58.200 -0.242 0.000 1.006 998 S CB -0.553 62.797 63.200 0.251 0.000 0.830 998 S HN 0.630 nan 8.310 nan 0.000 0.468 999 W N 0.797 122.045 121.300 -0.088 0.000 2.304 999 W HA 0.516 5.191 4.660 0.026 0.000 0.326 999 W C -0.001 176.466 176.519 -0.086 0.000 0.920 999 W CA -0.492 56.796 57.345 -0.095 0.000 1.518 999 W CB -0.510 28.814 29.460 -0.226 0.000 1.112 999 W HN 0.173 nan 8.180 nan 0.000 0.528 1000 S N -1.025 114.577 115.700 -0.163 0.000 2.550 1000 S HA 0.638 5.125 4.470 0.028 0.000 0.270 1000 S C -3.102 171.440 174.600 -0.098 0.000 1.145 1000 S CA -1.681 56.465 58.200 -0.091 0.000 0.852 1000 S CB 1.783 64.957 63.200 -0.043 0.000 1.119 1000 S HN -0.240 nan 8.310 nan 0.000 0.465 1001 P HA 0.172 nan 4.420 nan 0.000 0.261 1001 P C 0.343 177.689 177.300 0.078 0.000 1.183 1001 P CA 0.084 63.198 63.100 0.022 0.000 0.761 1001 P CB 0.623 32.216 31.700 -0.179 0.000 0.785 1002 S N 0.679 116.467 115.700 0.146 0.000 2.900 1002 S HA 0.151 4.638 4.470 0.028 0.000 0.253 1002 S C 0.099 174.785 174.600 0.143 0.000 1.029 1002 S CA -0.339 57.917 58.200 0.094 0.000 1.096 1002 S CB -0.282 62.921 63.200 0.005 0.000 1.067 1002 S HN 0.096 nan 8.310 nan 0.000 0.610 1003 V N 2.653 122.701 119.914 0.224 0.000 2.455 1003 V HA 0.409 4.546 4.120 0.028 0.000 0.273 1003 V C 0.811 177.060 176.094 0.259 0.000 1.045 1003 V CA -0.325 62.090 62.300 0.193 0.000 0.976 1003 V CB 0.982 32.865 31.823 0.100 0.000 0.993 1003 V HN 0.498 nan 8.190 nan 0.000 0.475 1004 S N 3.704 119.568 115.700 0.273 0.000 2.579 1004 S HA 0.333 4.820 4.470 0.028 0.000 0.275 1004 S C 1.518 176.277 174.600 0.264 0.000 1.345 1004 S CA 0.102 58.462 58.200 0.267 0.000 1.031 1004 S CB 1.196 64.596 63.200 0.333 0.000 0.892 1004 S HN 0.979 nan 8.310 nan 0.000 0.529 1005 A N 2.799 125.726 122.820 0.179 0.000 1.978 1005 A HA -0.108 4.229 4.320 0.028 0.000 0.220 1005 A C 1.964 179.585 177.584 0.060 0.000 1.170 1005 A CA 1.633 53.758 52.037 0.146 0.000 0.636 1005 A CB -0.544 18.521 19.000 0.109 0.000 0.810 1005 A HN 0.929 nan 8.150 nan 0.000 0.448 1006 E N -0.920 119.251 120.200 -0.049 0.000 2.418 1006 E HA -0.100 4.267 4.350 0.028 0.000 0.197 1006 E C 0.647 176.989 176.600 -0.430 0.000 1.026 1006 E CA 0.621 56.864 56.400 -0.261 0.000 0.862 1006 E CB -0.425 29.020 29.700 -0.425 0.000 0.799 1006 E HN 0.675 nan 8.360 nan 0.000 0.518 1007 F N 1.281 121.284 119.950 0.088 0.000 2.641 1007 F HA 0.264 4.807 4.527 0.027 0.000 0.302 1007 F C 0.848 176.689 175.800 0.068 0.000 1.098 1007 F CA -0.410 57.642 58.000 0.086 0.000 1.318 1007 F CB 0.531 39.581 39.000 0.083 0.000 1.035 1007 F HN -0.184 nan 8.300 nan 0.000 0.551 1008 Q N 0.969 120.880 119.800 0.185 0.000 2.222 1008 Q HA 0.417 4.774 4.340 0.028 0.000 0.252 1008 Q C -0.171 175.867 176.000 0.064 0.000 0.926 1008 Q CA -0.583 55.311 55.803 0.152 0.000 0.899 1008 Q CB 2.001 30.920 28.738 0.301 0.000 1.250 1008 Q HN 0.228 nan 8.270 nan 0.000 0.441 1009 L N 2.479 123.722 121.223 0.032 0.000 2.423 1009 L HA 0.111 4.468 4.340 0.028 0.000 0.249 1009 L C 0.614 177.429 176.870 -0.092 0.000 1.276 1009 L CA -0.001 54.821 54.840 -0.031 0.000 1.199 1009 L CB -0.409 41.531 42.059 -0.199 0.000 1.407 1009 L HN 0.700 nan 8.230 nan 0.000 0.410 1010 S N -1.322 114.238 115.700 -0.234 0.000 2.539 1010 S HA 0.122 4.609 4.470 0.028 0.000 0.221 1010 S C 1.727 176.237 174.600 -0.150 0.000 0.987 1010 S CA 0.199 58.072 58.200 -0.546 0.000 0.929 1010 S CB 0.686 63.392 63.200 -0.824 0.000 0.832 1010 S HN 0.497 nan 8.310 nan 0.000 0.492 1011 A N 1.574 124.362 122.820 -0.054 0.000 2.131 1011 A HA 0.378 4.715 4.320 0.028 0.000 0.220 1011 A C 2.169 179.604 177.584 -0.248 0.000 1.158 1011 A CA 1.365 53.228 52.037 -0.291 0.000 0.665 1011 A CB -1.397 17.129 19.000 -0.791 0.000 0.795 1011 A HN 1.477 nan 8.150 nan 0.000 0.460 1012 G N -1.391 107.379 108.800 -0.049 0.000 2.550 1012 G HA2 -0.325 3.652 3.960 0.028 0.000 0.233 1012 G HA3 -0.325 3.652 3.960 0.028 0.000 0.233 1012 G C 0.481 175.374 174.900 -0.012 0.000 1.170 1012 G CA 0.605 45.715 45.100 0.017 0.000 0.693 1012 G HN 0.719 nan 8.290 nan 0.000 0.512 1013 R N -0.560 119.799 120.500 -0.235 0.000 2.575 1013 R HA 0.670 5.027 4.340 0.028 0.000 0.293 1013 R C -1.553 174.459 176.300 -0.480 0.000 0.983 1013 R CA -0.595 55.404 56.100 -0.168 0.000 0.887 1013 R CB 1.520 31.767 30.300 -0.089 0.000 1.184 1013 R HN 0.252 nan 8.270 nan 0.000 0.445 1014 Y N 0.436 120.727 120.300 -0.015 0.000 2.462 1014 Y HA 0.369 4.935 4.550 0.027 0.000 0.346 1014 Y C -0.339 175.741 175.900 0.301 0.000 0.976 1014 Y CA -0.826 57.251 58.100 -0.039 0.000 1.044 1014 Y CB 2.165 40.469 38.460 -0.260 0.000 1.230 1014 Y HN 0.585 nan 8.280 nan 0.000 0.455 1015 H N 2.526 121.905 119.070 0.515 0.000 2.717 1015 H HA 0.609 5.181 4.556 0.028 0.000 0.366 1015 H C -1.789 173.917 175.328 0.630 0.000 1.132 1015 H CA -0.980 55.329 56.048 0.435 0.000 1.180 1015 H CB 1.305 31.211 29.762 0.240 0.000 1.678 1015 H HN 0.581 nan 8.280 nan 0.000 0.537 1016 Y N 1.926 122.071 120.300 -0.258 0.000 2.571 1016 Y HA 0.410 4.977 4.550 0.028 0.000 0.341 1016 Y C -1.868 173.821 175.900 -0.350 0.000 1.076 1016 Y CA -1.107 56.865 58.100 -0.214 0.000 1.029 1016 Y CB 1.522 39.923 38.460 -0.099 0.000 1.308 1016 Y HN 0.778 nan 8.280 nan 0.000 0.461 1017 Q N 3.499 123.247 119.800 -0.087 0.000 2.305 1017 Q HA 0.738 5.095 4.340 0.028 0.000 0.271 1017 Q C -2.443 173.618 176.000 0.101 0.000 1.046 1017 Q CA -0.883 54.885 55.803 -0.057 0.000 0.798 1017 Q CB 2.818 31.541 28.738 -0.026 0.000 1.286 1017 Q HN 0.939 nan 8.270 nan 0.000 0.435 1018 L N 2.156 123.422 121.223 0.071 0.000 2.388 1018 L HA 0.665 5.022 4.340 0.028 0.000 0.264 1018 L C -1.018 175.949 176.870 0.161 0.000 0.998 1018 L CA -1.013 53.900 54.840 0.122 0.000 0.817 1018 L CB 2.645 44.744 42.059 0.066 0.000 1.338 1018 L HN 0.538 nan 8.230 nan 0.000 0.414 1019 V N 1.543 121.579 119.914 0.202 0.000 2.495 1019 V HA 0.443 4.579 4.120 0.028 0.000 0.298 1019 V C -1.223 175.046 176.094 0.292 0.000 1.031 1019 V CA -0.425 62.012 62.300 0.227 0.000 0.871 1019 V CB 1.987 33.922 31.823 0.186 0.000 0.988 1019 V HN 0.605 nan 8.190 nan 0.000 0.432 1020 W N 6.728 128.096 121.300 0.114 0.000 2.573 1020 W HA 0.733 5.410 4.660 0.028 0.000 0.326 1020 W C -0.332 176.195 176.519 0.014 0.000 1.049 1020 W CA -1.096 56.255 57.345 0.009 0.000 1.220 1020 W CB 1.521 31.043 29.460 0.104 0.000 1.373 1020 W HN 0.884 nan 8.180 nan 0.000 0.507 1021 C N 3.195 122.808 119.300 0.521 0.000 3.314 1021 C HA 0.503 4.980 4.460 0.028 0.000 0.344 1021 C C -0.804 174.300 174.990 0.191 0.000 1.461 1021 C CA -0.873 58.329 59.018 0.306 0.000 1.249 1021 C CB 1.632 29.484 27.740 0.186 0.000 1.632 1021 C HN 0.663 nan 8.230 nan 0.000 0.452 1022 Q N 1.579 121.434 119.800 0.091 0.000 2.294 1022 Q HA 0.259 4.615 4.340 0.028 0.000 0.257 1022 Q C 0.039 176.022 176.000 -0.028 0.000 0.955 1022 Q CA -0.110 55.685 55.803 -0.013 0.000 0.936 1022 Q CB 1.152 29.868 28.738 -0.037 0.000 1.188 1022 Q HN 0.581 nan 8.270 nan 0.000 0.420 1023 K N 0.000 120.358 120.400 -0.069 0.000 2.780 1023 K HA 0.000 4.337 4.320 0.028 0.000 0.191 1023 K CA 0.000 56.262 56.287 -0.042 0.000 0.838 1023 K CB 0.000 32.468 32.500 -0.053 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543